#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ckj n ASP 4 N 0.00 0.09 -4.69 0.00 8.00 -1.26 -2.61 116.55 116.07 2ckj n ASP 4 Ca 0.00 0.04 -0.59 0.00 0.71 0.00 0.00 54.79 54.94 2ckj n ASP 4 Cb 0.00 -0.01 -0.08 0.00 -0.02 0.00 0.00 41.12 41.01 2ckj n ASP 4 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2ckj n LYS 5 N -2.63 0.88 -3.72 -1.24 5.02 -1.26 -4.80 118.16 110.40 2ckj n LYS 5 Ca 0.00 0.32 -0.32 0.00 -2.02 0.00 0.00 58.31 56.28 2ckj n LYS 5 Cb 0.00 -1.98 -0.05 0.00 -0.02 0.00 0.00 35.03 32.98 2ckj n LYS 5 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2ckj s LEU 6 N 3.75 4.31 -0.06 -0.35 0.20 -0.07 -4.98 118.68 121.49 2ckj s LEU 6 Ca 1.01 0.56 -0.01 0.00 0.69 0.00 0.00 54.13 56.37 2ckj s LEU 6 Cb -1.16 -3.09 0.03 0.00 -0.43 0.00 0.00 46.19 41.54 2ckj s LEU 6 CO 0.68 0.12 0.02 -0.69 -0.29 0.00 0.00 176.35 176.20 2ckj s VAL 7 N -1.53 0.20 0.12 1.68 1.01 -1.26 -1.53 120.40 119.09 2ckj s VAL 7 Ca 0.36 0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.59 2ckj s VAL 7 Cb -0.13 -0.39 -0.01 0.00 0.00 0.00 0.00 36.38 35.85 2ckj s VAL 7 CO 0.23 0.23 0.13 2.22 0.00 0.00 0.00 175.10 177.90 2ckj n PHE 8 N 5.15 -0.45 -4.60 5.22 1.16 -1.02 -0.32 117.46 122.60 2ckj n PHE 8 Ca -0.06 -0.99 -0.25 0.00 -1.87 0.00 0.00 57.45 54.28 2ckj n PHE 8 Cb 0.50 0.14 -0.17 0.00 -1.61 0.00 0.00 39.48 38.34 2ckj n PHE 8 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 2ckj s PHE 9 N -3.02 1.48 -0.20 2.97 0.40 -0.79 0.01 117.98 118.84 2ckj s PHE 9 Ca 0.14 -0.54 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 2ckj s PHE 9 Cb 0.00 -1.08 0.05 0.00 0.51 0.00 0.00 43.02 42.50 2ckj s PHE 9 CO 0.10 -0.27 -0.07 0.08 0.70 0.00 0.00 175.22 175.76 2ckj s VAL 10 N 0.63 1.40 -1.77 -0.44 1.01 0.53 -0.82 120.40 120.95 2ckj s VAL 10 Ca -0.14 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 60.88 2ckj s VAL 10 Cb -0.16 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.63 2ckj s VAL 10 CO 0.04 0.05 0.00 0.59 0.00 0.00 0.00 175.10 175.78 2ckj n ASN 11 N 4.75 -5.20 0.00 3.32 3.02 -0.10 -2.98 115.26 118.07 2ckj n ASN 11 Ca -0.13 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 2ckj n ASN 11 Cb 0.46 -4.28 0.00 0.00 -0.61 0.00 0.00 39.78 35.35 2ckj n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ckj n GLY 12 N -0.86 1.39 3.82 7.41 0.00 -1.26 -5.03 105.19 110.65 2ckj n GLY 12 Ca -0.19 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 2ckj n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ckj s ARG 13 N 0.00 3.77 0.47 1.61 0.52 -1.16 -4.99 118.95 119.16 2ckj s ARG 13 Ca 0.00 -0.08 -0.23 0.00 -0.52 0.00 0.00 55.73 54.91 2ckj s ARG 13 Cb 0.00 -3.28 -0.07 0.00 0.52 0.00 0.00 34.95 32.12 2ckj s ARG 13 CO 0.00 0.59 1.17 0.21 0.02 0.00 0.00 175.30 177.29 2ckj s LYS 14 N -0.52 3.72 -0.09 3.54 2.20 -1.26 -0.35 119.74 126.98 2ckj s LYS 14 Ca 0.14 1.79 -0.01 0.00 -0.36 0.00 0.00 55.97 57.54 2ckj s LYS 14 Cb -0.12 -2.39 0.03 0.00 -1.51 0.00 0.00 37.83 33.83 2ckj s LYS 14 CO 0.03 -0.59 -0.05 0.08 -0.36 0.00 0.00 175.35 174.46 2ckj s VAL 15 N -1.54 0.78 -0.56 4.02 1.01 0.10 -4.87 120.40 119.36 2ckj s VAL 15 Ca 0.64 -0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.43 2ckj s VAL 15 Cb -0.29 -0.85 0.14 0.00 0.00 0.00 0.00 36.38 35.39 2ckj s VAL 15 CO 0.35 0.32 0.39 -0.69 0.00 0.00 0.00 175.10 175.47 2ckj s VAL 16 N 1.72 3.85 -0.24 2.92 1.01 -1.26 -2.44 120.40 125.95 2ckj s VAL 16 Ca 0.03 -2.47 -0.11 0.00 0.00 0.00 0.00 61.98 59.43 2ckj s VAL 16 Cb -0.13 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 2ckj s VAL 16 CO -0.06 -0.82 0.18 -0.70 0.00 0.00 0.00 175.10 173.69 2ckj s GLU 17 N 0.53 4.07 0.32 2.72 2.56 -0.58 -4.94 118.70 123.37 2ckj s GLU 17 Ca 0.13 -0.24 0.17 0.00 0.00 0.00 0.00 54.97 55.02 2ckj s GLU 17 Cb -0.21 -3.55 0.24 0.00 2.00 0.00 0.00 34.13 32.60 2ckj s GLU 17 CO -0.04 0.03 1.53 0.87 -0.56 0.00 0.00 175.26 177.09 2ckj h LYS 18 N 7.59 0.00 0.00 4.30 1.57 -1.92 -0.14 116.57 127.97 2ckj h LYS 18 Ca -0.38 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.28 2ckj h LYS 18 Cb 1.17 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.26 2ckj h LYS 18 CO 0.65 0.43 -0.65 0.09 -0.57 0.00 0.00 179.45 179.40 2ckj n ASN 19 N -3.27 0.19 -4.55 0.86 3.02 -1.26 -4.35 115.26 105.90 2ckj n ASN 19 Ca 0.02 -1.91 -0.53 0.00 -0.03 0.00 0.00 54.58 52.12 2ckj n ASN 19 Cb 0.67 -0.09 -0.06 0.00 -0.61 0.00 0.00 39.78 39.69 2ckj n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ckj n ALA 20 N 0.24 -1.83 -2.61 5.41 0.00 -1.26 -4.91 120.51 115.55 2ckj n ALA 20 Ca -0.05 0.53 -0.38 0.00 0.00 0.00 0.00 53.44 53.53 2ckj n ALA 20 Cb 0.90 -1.95 -0.10 0.00 0.00 0.00 0.00 19.45 18.30 2ckj n ALA 20 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ckj s ASP 21 N 0.16 6.12 0.43 0.00 -1.08 -1.26 -4.17 116.67 116.88 2ckj s ASP 21 Ca 0.83 0.12 0.14 0.00 -0.52 0.00 0.00 52.55 53.12 2ckj s ASP 21 Cb -1.02 -2.15 0.75 0.00 -1.46 0.00 0.00 42.92 39.04 2ckj s ASP 21 CO 0.51 -0.06 1.33 -0.65 0.52 0.00 0.00 175.17 176.82 2ckj h PRO 22 N 8.10 0.00 -0.00 4.34 0.11 -1.90 0.47 132.00 143.12 2ckj h PRO 22 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2ckj h PRO 22 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2ckj h PRO 22 CO 0.60 0.00 -0.44 0.39 -0.21 0.00 0.00 178.00 178.34 2ckj n GLU 23 N -2.23 0.08 -3.04 1.05 1.02 -1.26 -4.74 120.64 111.51 2ckj n GLU 23 Ca -0.01 -0.04 -0.40 0.00 -0.02 0.00 0.00 57.16 56.69 2ckj n GLU 23 Cb 0.46 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.33 2ckj n GLU 23 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2ckj s THR 24 N -2.95 5.00 0.14 2.62 -4.23 0.17 -4.98 115.64 111.40 2ckj s THR 24 Ca 0.13 1.38 -0.23 0.00 -1.18 0.00 0.00 61.69 61.79 2ckj s THR 24 Cb 0.18 -4.02 -0.08 0.00 1.34 0.00 0.00 72.50 69.92 2ckj s THR 24 CO 0.67 0.15 0.70 0.28 -0.54 0.00 0.00 174.62 175.88 2ckj s THR 25 N 1.50 4.52 0.10 3.99 -1.32 -1.26 -2.49 115.64 120.66 2ckj s THR 25 Ca 0.34 1.49 -0.18 0.00 -1.21 0.00 0.00 61.69 62.13 2ckj s THR 25 Cb -0.17 -4.03 -0.04 0.00 -1.51 0.00 0.00 72.50 66.75 2ckj s THR 25 CO 0.14 0.52 1.32 0.25 -2.21 0.00 0.00 174.62 174.63 2ckj h LEU 26 N 4.34 -1.29 -8.74 9.08 5.85 -1.10 -2.96 115.31 120.49 2ckj h LEU 26 Ca -0.48 0.20 -0.68 0.00 0.84 0.00 0.00 57.88 57.75 2ckj h LEU 26 Cb 1.21 0.57 -0.01 0.00 0.37 0.00 0.00 40.66 42.80 2ckj h LEU 26 CO 0.65 -0.14 1.27 -0.11 -0.34 0.00 0.00 178.44 179.78 2ckj n LEU 27 N -4.34 2.31 0.00 2.25 7.94 0.38 -1.63 117.00 123.90 2ckj n LEU 27 Ca 0.01 0.62 0.00 0.00 -1.11 0.00 0.00 56.01 55.53 2ckj n LEU 27 Cb 0.15 -1.24 0.00 0.00 0.53 0.00 0.00 43.42 42.86 2ckj n LEU 27 CO -0.09 -0.59 0.00 0.00 -1.11 0.00 0.00 177.39 175.60 2ckj n ALA 28 N 8.51 0.00 -0.31 1.96 0.00 -1.25 -4.65 120.51 124.76 2ckj n ALA 28 Ca 0.36 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.87 2ckj n ALA 28 Cb 0.21 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.93 2ckj n ALA 28 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2ckj h TYR 29 N 0.00 1.03 -0.00 0.00 3.20 -1.13 0.66 116.97 120.72 2ckj h TYR 29 Ca 0.00 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 2ckj h TYR 29 Cb 0.00 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 37.94 2ckj h TYR 29 CO 0.00 0.46 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.74 2ckj h LEU 30 N 0.94 0.15 0.15 2.82 3.38 -1.65 0.41 115.31 121.50 2ckj h LEU 30 Ca 0.44 -0.78 -0.28 0.00 0.09 0.00 0.00 57.88 57.34 2ckj h LEU 30 Cb 0.42 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.14 2ckj h LEU 30 CO -0.20 0.91 -1.39 -0.09 0.09 0.00 0.00 178.44 177.76 2ckj h ARG 31 N -0.60 0.32 0.00 1.13 2.43 -1.75 -2.20 114.38 113.70 2ckj h ARG 31 Ca -0.02 -0.54 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 2ckj h ARG 31 Cb 0.94 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2ckj h ARG 31 CO 0.03 1.26 0.00 2.89 -1.51 0.00 0.00 179.97 182.64 2ckj n ARG 32 N -3.87 2.31 -0.07 0.20 1.85 0.23 -3.95 116.66 113.36 2ckj n ARG 32 Ca -0.22 -1.33 -0.08 0.00 -1.00 0.00 0.00 57.85 55.22 2ckj n ARG 32 Cb 0.95 -1.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.29 2ckj n ARG 32 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2ckj n LYS 33 N -0.41 0.89 -0.14 2.89 3.00 0.10 -4.71 118.16 119.77 2ckj n LYS 33 Ca 0.00 0.06 0.09 0.00 -0.00 0.00 0.00 58.31 58.46 2ckj n LYS 33 Cb 0.21 -1.28 0.15 0.00 0.00 0.00 0.00 35.03 34.11 2ckj n LYS 33 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2ckj n LEU 34 N -2.76 2.37 -4.29 3.14 4.77 -0.96 -5.00 117.00 114.26 2ckj n LEU 34 Ca -0.23 -3.17 -0.32 0.00 -0.03 0.00 0.00 56.01 52.26 2ckj n LEU 34 Cb 0.79 -0.44 -0.09 0.00 -2.33 0.00 0.00 43.42 41.35 2ckj n LEU 34 CO 0.17 0.79 -0.46 0.61 -1.33 0.00 0.00 177.39 177.17 2ckj n GLY 35 N -1.38 -0.16 3.12 -0.72 0.00 -0.99 -4.94 105.19 100.12 2ckj n GLY 35 Ca 0.16 0.19 -0.37 0.00 0.00 0.00 0.00 46.02 46.00 2ckj n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ckj s LEU 36 N -7.37 5.34 0.00 0.99 1.43 -0.86 -5.01 118.68 113.20 2ckj s LEU 36 Ca 0.03 -2.60 -0.03 0.00 -1.03 0.00 0.00 54.13 50.49 2ckj s LEU 36 Cb -0.02 -1.87 0.05 0.00 0.03 0.00 0.00 46.19 44.38 2ckj s LEU 36 CO 0.99 -0.44 0.19 -1.54 0.23 0.00 0.00 176.35 175.79 2ckj n SER 37 N 3.84 -0.82 0.00 2.29 3.41 -1.26 -4.26 113.62 116.82 2ckj n SER 37 Ca 0.05 -0.75 0.00 0.00 -0.26 0.00 0.00 58.87 57.91 2ckj n SER 37 Cb 0.39 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 2ckj n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ckj n GLY 38 N 1.99 0.62 3.21 5.00 0.00 -1.26 -4.92 105.19 109.83 2ckj n GLY 38 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2ckj n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ckj s THR 39 N -2.50 3.86 0.38 2.61 2.01 -1.26 -4.80 115.64 115.94 2ckj s THR 39 Ca 0.00 -1.67 -0.04 0.00 0.31 0.00 0.00 61.69 60.29 2ckj s THR 39 Cb 0.00 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 2ckj s THR 39 CO 0.00 -0.59 0.65 -0.54 -0.69 0.00 0.00 174.62 173.45 2ckj s LYS 40 N 1.32 3.58 -0.18 4.92 -0.14 -0.12 -4.89 119.74 124.22 2ckj s LYS 40 Ca 0.04 0.02 -0.02 0.00 -1.36 0.00 0.00 55.97 54.65 2ckj s LYS 40 Cb -0.23 -2.54 -0.01 0.00 -1.68 0.00 0.00 37.83 33.37 2ckj s LYS 40 CO -0.01 0.04 -0.09 -1.17 -0.76 0.00 0.00 175.35 173.37 2ckj s LEU 41 N -4.16 2.79 -0.15 3.17 0.20 -1.26 -3.52 118.68 115.75 2ckj s LEU 41 Ca 0.45 -0.37 -0.04 0.00 0.69 0.00 0.00 54.13 54.85 2ckj s LEU 41 Cb -0.10 -1.68 -0.08 0.00 -0.43 0.00 0.00 46.19 43.90 2ckj s LEU 41 CO 0.36 0.06 -0.17 0.61 -0.29 0.00 0.00 176.35 176.92 2ckj n GLY 42 N 4.27 -0.23 0.96 7.98 0.00 -1.26 -4.79 105.19 112.11 2ckj n GLY 42 Ca -0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.74 2ckj n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ckj n GLY 44 N 2.93 2.51 0.07 0.00 0.00 -1.26 -4.10 105.19 105.34 2ckj n GLY 44 Ca -0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.13 2ckj n GLY 44 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ckj n GLU 45 N -2.00 0.41 -0.17 1.61 2.13 -1.26 -4.86 120.64 116.50 2ckj n GLU 45 Ca 0.00 -0.14 0.00 0.00 0.66 0.00 0.00 57.16 57.68 2ckj n GLU 45 Cb 0.00 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.21 2ckj n GLU 45 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ckj n GLY 46 N 1.37 1.76 1.26 8.31 0.00 -1.26 -5.00 105.19 111.63 2ckj n GLY 46 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 2ckj n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLY 47 N -2.00 5.61 0.00 -0.02 0.00 -1.26 -4.60 105.19 102.92 2ckj n GLY 47 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.18 2ckj n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ckj n GLY 49 N 1.82 0.00 0.00 0.00 0.00 -0.98 -2.94 105.19 103.09 2ckj n GLY 49 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2ckj n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ckj n ALA 50 N 0.69 2.30 -1.48 4.61 0.00 -1.26 -2.75 120.51 122.62 2ckj n ALA 50 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.48 2ckj n ALA 50 Cb 0.33 -1.05 0.09 0.00 0.00 0.00 0.00 19.45 18.83 2ckj n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckj s THR 52 N -1.84 4.88 0.32 0.00 2.01 -1.11 0.21 115.64 120.11 2ckj s THR 52 Ca 0.22 1.75 0.03 0.00 0.31 0.00 0.00 61.69 64.01 2ckj s THR 52 Cb 0.20 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 2ckj s THR 52 CO 0.00 0.25 0.16 0.68 -0.69 0.00 0.00 174.62 175.02 2ckj s VAL 53 N 0.64 0.38 -0.24 3.82 -7.23 -0.74 -4.71 120.40 112.32 2ckj s VAL 53 Ca 0.44 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.58 2ckj s VAL 53 Cb -0.20 -2.51 0.01 0.00 0.56 0.00 0.00 36.38 34.25 2ckj s VAL 53 CO 0.24 0.00 -0.06 -0.32 -0.31 0.00 0.00 175.10 174.65 2ckj s MET 54 N -3.79 3.04 -0.19 4.82 1.75 -0.66 -2.10 119.30 122.16 2ckj s MET 54 Ca 0.35 -0.84 -0.18 0.00 -1.25 0.00 0.00 55.69 53.76 2ckj s MET 54 Cb 0.05 -2.99 -0.04 0.00 2.84 0.00 0.00 34.83 34.69 2ckj s MET 54 CO 0.17 -0.32 0.48 -0.51 -0.65 0.00 0.00 175.02 174.19 2ckj s LEU 55 N 1.38 4.17 0.07 4.11 1.43 -0.15 -0.94 118.68 128.75 2ckj s LEU 55 Ca 0.03 0.65 0.09 0.00 -1.03 0.00 0.00 54.13 53.87 2ckj s LEU 55 Cb -0.16 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.38 2ckj s LEU 55 CO -0.04 -0.12 -0.25 -0.44 0.23 0.00 0.00 176.35 175.73 2ckj s SER 56 N 1.04 3.35 0.04 2.29 0.01 -0.75 -1.66 113.70 118.03 2ckj s SER 56 Ca 0.23 -0.60 -0.22 0.00 1.31 0.00 0.00 55.95 56.67 2ckj s SER 56 Cb -0.15 -0.34 0.05 0.00 0.21 0.00 0.00 66.02 65.79 2ckj s SER 56 CO 0.09 0.23 0.51 -1.59 0.41 0.00 0.00 173.24 172.90 2ckj s LYS 57 N -1.53 1.02 -0.16 12.44 -2.85 0.11 -2.41 119.74 126.36 2ckj s LYS 57 Ca 0.13 -0.23 -0.28 0.00 -1.00 0.00 0.00 55.97 54.59 2ckj s LYS 57 Cb -0.10 0.47 -0.01 0.00 -2.06 0.00 0.00 37.83 36.13 2ckj s LYS 57 CO 0.04 -0.37 0.93 -0.47 0.10 0.00 0.00 175.35 175.59 2ckj s TYR 58 N -2.41 3.44 0.02 1.78 5.04 -1.26 -1.90 117.35 122.06 2ckj s TYR 58 Ca -0.05 1.42 -0.29 0.00 -2.44 0.00 0.00 57.07 55.70 2ckj s TYR 58 Cb -0.01 -3.13 -0.16 0.00 0.35 0.00 0.00 41.96 39.02 2ckj s TYR 58 CO -0.01 -0.28 1.21 0.22 -1.34 0.00 0.00 175.55 175.35 2ckj h ASP 59 N 7.26 -0.89 0.00 4.32 1.82 -1.23 -3.47 116.42 124.23 2ckj h ASP 59 Ca -0.28 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.39 2ckj h ASP 59 Cb 1.12 0.23 0.00 0.00 0.68 0.00 0.00 39.33 41.37 2ckj h ASP 59 CO 0.87 -0.53 0.00 -1.14 -1.61 0.00 0.00 179.24 176.83 2ckj n ARG 60 N -5.47 0.00 -0.06 0.28 0.63 -1.26 -4.62 116.66 106.16 2ckj n ARG 60 Ca -0.13 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.69 2ckj n ARG 60 Cb 0.42 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.29 2ckj n ARG 60 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2ckj h LEU 61 N 0.00 0.29 -3.10 6.15 7.12 -1.97 -3.21 115.31 120.59 2ckj h LEU 61 Ca 0.00 -0.15 0.00 0.00 0.13 0.00 0.00 57.88 57.86 2ckj h LEU 61 Cb 0.00 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.06 2ckj h LEU 61 CO 0.00 0.36 0.00 0.00 -0.13 0.00 0.00 178.44 178.67 2ckj n GLN 62 N -4.83 3.07 -3.86 1.25 6.02 -1.26 -5.02 117.38 112.75 2ckj n GLN 62 Ca -0.04 -2.54 -0.30 0.00 -0.01 0.00 0.00 57.00 54.11 2ckj n GLN 62 Cb 0.11 -1.63 0.01 0.00 1.02 0.00 0.00 30.24 29.75 2ckj n GLN 62 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2ckj n ASN 63 N 0.17 -4.48 -3.72 1.08 4.05 -1.22 -4.94 115.26 106.21 2ckj n ASN 63 Ca 0.18 -1.05 -0.11 0.00 0.45 0.00 0.00 54.58 54.05 2ckj n ASN 63 Cb 0.71 -1.55 -0.06 0.00 1.23 0.00 0.00 39.78 40.11 2ckj n ASN 63 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 2ckj s LYS 64 N -5.60 0.90 -0.23 1.20 2.36 -1.26 -4.88 119.74 112.23 2ckj s LYS 64 Ca 0.13 -0.57 -0.06 0.00 -2.55 0.00 0.00 55.97 52.92 2ckj s LYS 64 Cb -0.07 0.39 -0.03 0.00 -1.05 0.00 0.00 37.83 37.07 2ckj s LYS 64 CO 0.90 -0.31 0.04 0.42 1.55 0.00 0.00 175.35 177.95 2ckj s ILE 65 N -2.96 4.17 0.13 5.43 1.01 -1.26 -0.61 121.20 127.11 2ckj s ILE 65 Ca -0.02 -0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.44 2ckj s ILE 65 Cb 0.00 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 2ckj s ILE 65 CO -0.06 0.38 0.11 0.68 0.00 0.00 0.00 174.94 176.06 2ckj s VAL 66 N 1.32 4.51 -0.05 2.92 -7.23 -0.80 -4.91 120.40 116.16 2ckj s VAL 66 Ca 0.05 -0.95 0.05 0.00 -1.81 0.00 0.00 61.98 59.31 2ckj s VAL 66 Cb -0.15 -3.25 -0.00 0.00 0.56 0.00 0.00 36.38 33.54 2ckj s VAL 66 CO 0.02 -0.01 -0.20 -1.00 -0.31 0.00 0.00 175.10 173.61 2ckj s HIS 67 N -1.60 1.97 0.09 2.82 3.76 -1.26 -0.72 115.29 120.35 2ckj s HIS 67 Ca 0.30 -0.60 -0.19 0.00 -0.15 0.00 0.00 55.06 54.42 2ckj s HIS 67 Cb -0.11 -1.31 0.05 0.00 1.11 0.00 0.00 32.58 32.31 2ckj s HIS 67 CO 0.23 -0.20 0.47 -0.59 -0.85 0.00 0.00 174.74 173.79 2ckj s PHE 68 N 0.02 -0.33 0.50 1.40 -0.12 -0.66 -4.93 117.98 113.86 2ckj s PHE 68 Ca -0.05 0.19 0.02 0.00 -0.05 0.00 0.00 56.93 57.03 2ckj s PHE 68 Cb -0.13 0.32 0.02 0.00 -0.63 0.00 0.00 43.02 42.60 2ckj s PHE 68 CO 0.03 -0.68 0.71 -1.54 -0.05 0.00 0.00 175.22 173.69 2ckj s SER 69 N -2.41 5.54 -0.21 1.98 1.04 -1.26 -0.98 113.70 117.40 2ckj s SER 69 Ca -0.01 0.06 -0.33 0.00 0.48 0.00 0.00 55.95 56.15 2ckj s SER 69 Cb 0.00 -1.12 0.15 0.00 0.10 0.00 0.00 66.02 65.15 2ckj s SER 69 CO -0.07 -0.92 1.22 0.00 0.98 0.00 0.00 173.24 174.44 2ckj s ALA 70 N -2.63 -2.06 -0.15 5.32 0.00 -0.89 -4.58 121.76 116.76 2ckj s ALA 70 Ca 0.53 1.67 -0.06 0.00 0.00 0.00 0.00 51.96 54.10 2ckj s ALA 70 Cb -0.10 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 2ckj s ALA 70 CO 0.38 -0.47 0.08 0.54 0.00 0.00 0.00 175.76 176.28 2ckj s ASN 71 N -1.76 5.81 -0.01 0.00 6.03 -1.25 -1.80 114.94 121.97 2ckj s ASN 71 Ca 0.08 0.22 0.12 0.00 -1.03 0.00 0.00 52.86 52.24 2ckj s ASN 71 Cb -0.01 -1.90 0.35 0.00 -3.03 0.00 0.00 41.25 36.66 2ckj s ASN 71 CO -0.05 0.29 1.28 0.00 -2.03 0.00 0.00 177.10 176.59 2ckj n ALA 72 N 2.79 2.47 0.17 3.54 0.00 0.56 -3.66 120.51 126.38 2ckj n ALA 72 Ca -0.18 -0.69 0.05 0.00 0.00 0.00 0.00 53.44 52.62 2ckj n ALA 72 Cb 0.53 -0.97 0.09 0.00 0.00 0.00 0.00 19.45 19.10 2ckj n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckj n LEU 74 N 0.52 0.02 -4.27 0.00 4.77 -1.24 -4.93 117.00 111.86 2ckj n LEU 74 Ca 0.08 -0.03 -0.36 0.00 -0.03 0.00 0.00 56.01 55.68 2ckj n LEU 74 Cb 0.33 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.28 2ckj n LEU 74 CO 0.07 0.01 -0.36 0.00 -1.33 0.00 0.00 177.39 175.78 2ckj s ALA 75 N -0.02 2.85 0.48 -1.18 0.00 -1.25 -4.77 121.76 117.88 2ckj s ALA 75 Ca 0.00 -1.39 -0.22 0.00 0.00 0.00 0.00 51.96 50.34 2ckj s ALA 75 Cb 0.00 -1.86 -0.07 0.00 0.00 0.00 0.00 23.12 21.20 2ckj s ALA 75 CO 0.00 -0.77 1.18 -1.25 0.00 0.00 0.00 175.76 174.92 2ckj s PRO 76 N 1.42 3.62 0.42 0.00 0.04 -1.26 -0.88 135.00 138.36 2ckj s PRO 76 Ca 0.02 1.79 0.22 0.00 0.04 0.00 0.00 61.00 63.07 2ckj s PRO 76 Cb -0.16 -2.32 0.81 0.00 0.04 0.00 0.00 34.50 32.87 2ckj s PRO 76 CO -0.02 -0.67 1.78 -0.84 0.04 0.00 0.00 177.00 177.29 2ckj h ILE 77 N 1.70 0.62 0.00 0.56 3.07 -1.78 -2.87 117.51 118.81 2ckj h ILE 77 Ca -0.50 -1.26 -0.00 0.00 1.55 0.00 0.00 64.86 64.65 2ckj h ILE 77 Cb 1.26 1.84 -0.00 0.00 -0.27 0.00 0.00 36.82 39.65 2ckj h ILE 77 CO 0.59 0.26 -0.02 0.00 -1.05 0.00 0.00 178.15 177.94 2ckj h SER 79 N 0.00 0.05 0.00 0.00 4.64 -1.90 -3.27 113.55 113.07 2ckj h SER 79 Ca -0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2ckj h SER 79 Cb 0.04 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2ckj h SER 79 CO 0.00 0.51 0.00 0.18 -0.87 0.00 0.00 176.83 176.65 2ckj n LEU 80 N -3.98 0.05 -4.66 5.97 4.77 0.08 -4.90 117.00 114.33 2ckj n LEU 80 Ca -0.02 -0.02 -0.54 0.00 -0.03 0.00 0.00 56.01 55.41 2ckj n LEU 80 Cb 0.49 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 2ckj n LEU 80 CO 0.40 0.01 1.16 1.57 -1.33 0.00 0.00 177.39 179.21 2ckj n HIS 81 N -0.45 1.88 -0.99 -1.77 -0.00 -1.24 -1.87 115.22 110.79 2ckj n HIS 81 Ca 0.00 0.50 0.00 0.00 0.46 0.00 0.00 57.72 58.68 2ckj n HIS 81 Cb 0.01 -2.43 0.00 0.00 -0.12 0.00 0.00 29.99 27.45 2ckj n HIS 81 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2ckj n HIS 82 N 4.18 0.00 -3.55 1.57 8.25 0.56 -5.01 115.22 121.22 2ckj n HIS 82 Ca 0.22 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.37 2ckj n HIS 82 Cb 0.18 -0.26 -0.05 0.00 1.12 0.00 0.00 29.99 30.98 2ckj n HIS 82 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2ckj s VAL 83 N -2.18 5.08 -0.27 1.59 1.01 -0.78 -4.78 120.40 120.07 2ckj s VAL 83 Ca 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 2ckj s VAL 83 Cb 0.00 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.78 2ckj s VAL 83 CO 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 175.10 174.99 2ckj s ALA 84 N -1.77 2.70 -0.00 5.51 0.00 -1.01 -1.88 121.76 125.30 2ckj s ALA 84 Ca 0.43 -1.63 -0.24 0.00 0.00 0.00 0.00 51.96 50.53 2ckj s ALA 84 Cb -0.12 -1.74 -0.05 0.00 0.00 0.00 0.00 23.12 21.22 2ckj s ALA 84 CO 0.24 -1.05 0.71 0.08 0.00 0.00 0.00 175.76 175.75 2ckj s VAL 85 N 1.25 4.87 0.11 0.00 1.01 0.00 -1.80 120.40 125.84 2ckj s VAL 85 Ca -0.04 1.49 0.08 0.00 0.00 0.00 0.00 61.98 63.51 2ckj s VAL 85 Cb -0.18 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 2ckj s VAL 85 CO -0.04 0.34 -0.15 -0.89 0.00 0.00 0.00 175.10 174.37 2ckj s THR 86 N 0.19 3.07 0.23 3.92 2.01 -0.12 -0.92 115.64 124.03 2ckj s THR 86 Ca 0.37 -1.38 0.03 0.00 0.31 0.00 0.00 61.69 61.02 2ckj s THR 86 Cb -0.19 -2.41 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 2ckj s THR 86 CO 0.20 0.12 0.00 0.28 -0.69 0.00 0.00 174.62 174.53 2ckj s THR 87 N -1.16 1.01 0.21 -0.82 -1.32 -1.26 -1.66 115.64 110.64 2ckj s THR 87 Ca 0.19 -2.03 -0.10 0.00 -1.21 0.00 0.00 61.69 58.54 2ckj s THR 87 Cb -0.11 -2.35 0.15 0.00 -1.51 0.00 0.00 72.50 68.68 2ckj s THR 87 CO 0.11 -0.32 1.71 1.62 -2.21 0.00 0.00 174.62 175.54 2ckj h VAL 88 N 2.47 0.68 0.00 5.08 3.04 -1.87 -1.72 116.25 123.93 2ckj h VAL 88 Ca -0.38 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 2ckj h VAL 88 Cb 1.22 0.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 2ckj h VAL 88 CO 0.64 0.05 0.00 -1.84 -1.01 0.00 0.00 177.57 175.42 2ckj n GLU 89 N -5.10 0.85 0.00 4.17 0.00 -1.26 -3.01 120.64 116.29 2ckj n GLU 89 Ca 0.08 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.33 2ckj n GLU 89 Cb 0.30 -1.31 -0.06 0.00 0.00 0.00 0.00 31.44 30.38 2ckj n GLU 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ckj n GLY 90 N 0.15 -0.39 0.00 -1.84 0.00 -0.65 -4.53 105.19 97.94 2ckj n GLY 90 Ca 0.00 -0.53 0.06 0.00 0.00 0.00 0.00 46.02 45.55 2ckj n GLY 90 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2ckj n ILE 91 N -0.83 0.00 0.00 -0.61 -5.35 -1.16 -4.90 119.36 106.51 2ckj n ILE 91 Ca 0.05 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 2ckj n ILE 91 Cb 0.33 0.72 0.00 0.00 -1.74 0.00 0.00 39.64 38.96 2ckj n ILE 91 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ckj n GLY 92 N 1.47 1.96 3.16 3.28 0.00 -1.26 -4.25 105.19 109.55 2ckj n GLY 92 Ca 0.01 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 2ckj n GLY 92 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ckj s SER 93 N 0.00 0.00 0.63 1.61 1.04 -0.89 -4.79 113.70 111.30 2ckj s SER 93 Ca 0.00 -0.24 0.24 0.00 0.48 0.00 0.00 55.95 56.43 2ckj s SER 93 Cb 0.00 0.25 1.15 0.00 0.10 0.00 0.00 66.02 67.53 2ckj s SER 93 CO 0.00 -0.46 1.62 0.71 0.98 0.00 0.00 173.24 176.09 2ckj h THR 94 N 3.86 0.12 0.00 2.02 1.35 -1.92 0.22 112.91 118.57 2ckj h THR 94 Ca -0.31 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 2ckj h THR 94 Cb 1.19 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 2ckj h THR 94 CO 0.44 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.00 2ckj n LYS 95 N -3.19 0.56 0.00 4.72 5.02 -1.26 -4.80 118.16 119.21 2ckj n LYS 95 Ca 0.07 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 2ckj n LYS 95 Cb 0.84 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 2ckj n LYS 95 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2ckj n THR 96 N -1.17 0.00 -3.77 -0.18 -2.24 -0.04 -5.14 114.28 101.74 2ckj n THR 96 Ca 0.15 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.81 2ckj n THR 96 Cb 0.16 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.27 2ckj n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2ckj s ARG 97 N 0.00 0.22 0.44 -0.78 1.81 -0.56 -4.96 118.95 115.12 2ckj s ARG 97 Ca 0.00 0.38 -0.22 0.00 -1.72 0.00 0.00 55.73 54.16 2ckj s ARG 97 Cb 0.00 0.02 -0.08 0.00 -0.45 0.00 0.00 34.95 34.44 2ckj s ARG 97 CO 0.00 -0.08 1.06 -0.51 -0.68 0.00 0.00 175.30 175.09 2ckj s LEU 98 N 0.55 4.00 0.27 2.53 1.43 -1.24 -2.10 118.68 124.12 2ckj s LEU 98 Ca -0.04 2.03 -0.29 0.00 -1.03 0.00 0.00 54.13 54.81 2ckj s LEU 98 Cb -0.05 -4.35 -0.09 0.00 0.03 0.00 0.00 46.19 41.73 2ckj s LEU 98 CO -0.03 -0.68 0.95 -2.28 0.23 0.00 0.00 176.35 174.54 2ckj s HIS 99 N -1.77 3.87 0.06 0.29 5.65 -1.26 -4.79 115.29 117.33 2ckj s HIS 99 Ca 0.63 1.86 0.14 0.00 0.25 0.00 0.00 55.06 57.93 2ckj s HIS 99 Cb -0.21 -2.97 0.74 0.00 -1.18 0.00 0.00 32.58 28.96 2ckj s HIS 99 CO 0.25 0.33 1.31 -1.00 -0.65 0.00 0.00 174.74 174.99 2ckj h PRO 100 N 3.80 0.00 0.00 2.88 0.13 -1.94 1.41 132.00 138.28 2ckj h PRO 100 Ca -0.46 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.60 2ckj h PRO 100 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2ckj h PRO 100 CO 0.67 0.00 -0.36 0.28 -0.23 0.00 0.00 178.00 178.36 2ckj h VAL 101 N 0.00 0.64 0.00 1.56 2.07 -1.96 -2.91 116.25 115.65 2ckj h VAL 101 Ca 0.00 -1.82 -0.04 0.00 0.82 0.00 0.00 66.70 65.66 2ckj h VAL 101 Cb 0.63 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 2ckj h VAL 101 CO 0.00 0.35 -0.15 1.56 0.02 0.00 0.00 177.57 179.36 2ckj h GLN 102 N 0.00 0.10 0.00 1.57 4.20 0.15 -3.31 115.11 117.81 2ckj h GLN 102 Ca -0.00 -0.11 -0.18 0.00 0.06 0.00 0.00 58.65 58.42 2ckj h GLN 102 Cb 1.23 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 2ckj h GLN 102 CO 0.05 0.88 -0.84 1.05 -0.67 0.00 0.00 178.83 179.29 2ckj h GLU 103 N -0.64 0.03 -0.15 1.46 4.11 -1.08 -3.21 114.58 115.11 2ckj h GLU 103 Ca -0.02 -0.04 -0.12 0.00 0.07 0.00 0.00 59.36 59.25 2ckj h GLU 103 Cb 0.93 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 2ckj h GLU 103 CO 0.03 0.85 -0.43 0.00 0.07 0.00 0.00 179.01 179.53 2ckj h ARG 104 N 0.02 0.35 0.00 1.06 3.08 -1.69 -2.75 114.38 114.45 2ckj h ARG 104 Ca -0.02 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 59.77 2ckj h ARG 104 Cb 1.48 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.52 2ckj h ARG 104 CO 0.11 0.72 -0.41 0.97 -1.07 0.00 0.00 179.97 180.29 2ckj h ILE 105 N 0.29 0.85 0.01 2.04 2.10 -1.64 -3.20 117.51 117.95 2ckj h ILE 105 Ca 0.02 -1.71 -0.25 0.00 1.08 0.00 0.00 64.86 64.00 2ckj h ILE 105 Cb 0.88 2.07 -0.04 0.00 -1.09 0.00 0.00 36.82 38.64 2ckj h ILE 105 CO 0.07 0.40 -1.34 0.00 -1.08 0.00 0.00 178.15 176.20 2ckj h ALA 106 N 1.59 0.52 -0.00 0.18 0.00 -1.54 -2.80 119.26 117.22 2ckj h ALA 106 Ca -0.00 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.75 2ckj h ALA 106 Cb 1.04 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2ckj h ALA 106 CO 0.05 1.38 -0.09 1.63 0.00 0.00 0.00 179.25 182.22 2ckj n LYS 107 N -3.23 0.69 -0.12 0.00 5.02 -1.05 -3.79 118.16 115.68 2ckj n LYS 107 Ca -0.08 -0.21 0.05 0.00 -2.02 0.00 0.00 58.31 56.05 2ckj n LYS 107 Cb 1.00 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 34.62 2ckj n LYS 107 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2ckj n SER 108 N -0.97 2.56 -3.26 4.39 3.41 -1.21 -4.84 113.62 113.69 2ckj n SER 108 Ca 0.15 -2.46 -0.13 0.00 -0.26 0.00 0.00 58.87 56.17 2ckj n SER 108 Cb 0.27 -0.25 0.05 0.00 -0.26 0.00 0.00 64.21 64.02 2ckj n SER 108 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2ckj n HIS 109 N -0.57 -2.54 -0.05 7.33 8.25 -1.25 -4.81 115.22 121.58 2ckj n HIS 109 Ca 0.10 0.89 0.00 0.00 -0.26 0.00 0.00 57.72 58.45 2ckj n HIS 109 Cb 0.49 -4.01 0.00 0.00 1.12 0.00 0.00 29.99 27.59 2ckj n HIS 109 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ckj n GLY 110 N -1.44 -0.35 2.96 -1.41 0.00 -1.06 -4.72 105.19 99.17 2ckj n GLY 110 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 2ckj n GLY 110 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ckj s SER 111 N -0.38 2.84 0.00 1.61 0.15 -1.26 -4.82 113.70 111.85 2ckj s SER 111 Ca 0.00 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.03 2ckj s SER 111 Cb 0.00 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.25 2ckj s SER 111 CO 0.00 -0.13 0.00 0.00 1.20 0.00 0.00 173.24 174.31 2ckj n GLN 112 N 4.81 0.00 -0.31 5.44 6.02 -1.26 -4.87 117.38 127.20 2ckj n GLN 112 Ca -0.14 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 56.92 2ckj n GLN 112 Cb 0.48 0.00 0.18 0.00 1.02 0.00 0.00 30.24 31.92 2ckj n GLN 112 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ckj n GLY 114 N -1.52 1.04 0.07 0.00 0.00 -1.26 -4.62 105.19 98.90 2ckj n GLY 114 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 2ckj n GLY 114 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2ckj n PHE 115 N -1.15 0.39 1.56 1.61 7.35 -1.26 -3.41 117.46 122.55 2ckj n PHE 115 Ca 0.00 0.13 0.04 0.00 -0.76 0.00 0.00 57.45 56.86 2ckj n PHE 115 Cb 0.00 -0.91 0.18 0.00 0.35 0.00 0.00 39.48 39.10 2ckj n PHE 115 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2ckj h THR 117 N 0.89 1.36 -0.39 0.00 2.02 -1.90 -2.08 112.91 112.83 2ckj h THR 117 Ca 0.00 -1.79 0.08 0.00 0.77 0.00 0.00 66.41 65.47 2ckj h THR 117 Cb 0.20 2.47 -0.09 0.00 -1.74 0.00 0.00 68.15 68.99 2ckj h THR 117 CO 0.00 0.42 -0.32 -0.65 0.37 0.00 0.00 175.52 175.35 2ckj h PRO 118 N -0.89 -0.24 -0.28 6.66 0.11 -1.81 0.12 132.00 135.67 2ckj h PRO 118 Ca -0.00 0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.15 2ckj h PRO 118 Cb 0.72 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.85 2ckj h PRO 118 CO 0.01 -0.16 -0.16 0.41 -0.21 0.00 0.00 178.00 177.88 2ckj n GLY 119 N -1.41 -1.82 0.30 -0.55 0.00 -1.20 -0.67 105.19 99.83 2ckj n GLY 119 Ca 0.01 0.53 0.04 0.00 0.00 0.00 0.00 46.02 46.60 2ckj n GLY 119 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2ckj h ILE 120 N 0.00 0.85 -0.61 -0.61 2.04 -1.03 -0.87 117.51 117.28 2ckj h ILE 120 Ca 0.04 -0.25 0.09 0.00 1.00 0.00 0.00 64.86 65.75 2ckj h ILE 120 Cb 0.11 0.07 -0.07 0.00 -0.74 0.00 0.00 36.82 36.19 2ckj h ILE 120 CO -0.26 0.13 0.23 0.58 0.00 0.00 0.00 178.15 178.84 2ckj h VAL 121 N 0.72 0.78 -0.30 1.67 2.07 0.14 -1.62 116.25 119.71 2ckj h VAL 121 Ca 0.41 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.73 2ckj h VAL 121 Cb 0.45 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2ckj h VAL 121 CO -0.28 0.08 -0.04 0.24 0.02 0.00 0.00 177.57 177.58 2ckj h MET 122 N 0.42 0.56 -0.71 1.57 2.86 -0.45 0.66 114.93 119.83 2ckj h MET 122 Ca 0.31 -0.20 0.16 0.00 -2.06 0.00 0.00 59.70 57.90 2ckj h MET 122 Cb 0.37 -0.04 -0.12 0.00 0.06 0.00 0.00 31.60 31.87 2ckj h MET 122 CO -0.30 0.73 0.05 0.77 1.06 0.00 0.00 176.91 179.22 2ckj h SER 123 N 0.33 -0.23 -0.02 1.22 0.02 -0.38 -1.13 113.55 113.36 2ckj h SER 123 Ca 0.08 0.17 -0.15 0.00 -0.84 0.00 0.00 61.79 61.05 2ckj h SER 123 Cb 0.51 0.28 0.01 0.00 0.14 0.00 0.00 62.40 63.34 2ckj h SER 123 CO 0.02 -0.12 -0.56 -0.03 -1.14 0.00 0.00 176.83 175.00 2ckj h MET 124 N 0.15 0.42 -1.08 3.45 -1.53 -1.08 -3.26 114.93 111.99 2ckj h MET 124 Ca 0.39 -0.42 0.37 0.00 -3.44 0.00 0.00 59.70 56.60 2ckj h MET 124 Cb 0.67 0.11 -0.15 0.00 -0.55 0.00 0.00 31.60 31.68 2ckj h MET 124 CO -0.58 1.08 0.63 -0.92 0.14 0.00 0.00 176.91 177.26 2ckj h TYR 125 N -0.08 0.80 0.00 1.39 3.20 0.10 -1.80 116.97 120.58 2ckj h TYR 125 Ca -0.06 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.73 2ckj h TYR 125 Cb 1.25 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.31 2ckj h TYR 125 CO 0.14 -0.25 -0.65 1.15 -1.64 0.00 0.00 178.16 176.91 2ckj h THR 126 N 0.19 0.76 0.00 1.81 2.02 -1.28 -3.10 112.91 113.30 2ckj h THR 126 Ca 0.78 -2.12 -0.12 0.00 0.77 0.00 0.00 66.41 65.72 2ckj h THR 126 Cb 2.02 2.33 -0.02 0.00 -1.74 0.00 0.00 68.15 70.74 2ckj h THR 126 CO -0.59 0.43 -0.58 0.25 0.37 0.00 0.00 175.52 175.40 2ckj h LEU 127 N 0.00 0.00 0.00 2.58 5.85 -1.37 -2.29 115.31 120.08 2ckj h LEU 127 Ca -0.03 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 2ckj h LEU 127 Cb 1.40 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 2ckj h LEU 127 CO 0.06 0.58 -0.39 -0.07 -0.34 0.00 0.00 178.44 178.28 2ckj h LEU 128 N 0.00 0.00 0.00 2.25 3.38 -1.47 -2.59 115.31 116.88 2ckj h LEU 128 Ca -0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 2ckj h LEU 128 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 2ckj h LEU 128 CO 0.08 0.15 -1.03 -0.09 0.09 0.00 0.00 178.44 177.64 2ckj h ARG 129 N 0.00 0.00 0.00 1.13 9.65 -1.36 -3.21 114.38 120.59 2ckj h ARG 129 Ca -0.01 0.00 -0.20 0.00 -1.10 0.00 0.00 59.98 58.67 2ckj h ARG 129 Cb 1.13 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.67 2ckj h ARG 129 CO 0.02 0.44 -1.32 -0.91 2.80 0.00 0.00 179.97 181.00 2ckj h ASN 130 N 0.00 0.00 -1.57 -3.80 2.35 -1.45 -3.47 115.58 107.64 2ckj h ASN 130 Ca -0.09 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.54 2ckj h ASN 130 Cb 1.54 0.00 -0.27 0.00 0.05 0.00 0.00 38.32 39.64 2ckj h ASN 130 CO 0.06 0.72 -0.47 -1.58 -1.65 0.00 0.00 177.43 174.52 2ckj s GLN 131 N -2.82 0.44 0.00 0.81 2.00 -0.98 -5.04 119.66 114.06 2ckj s GLN 131 Ca -0.02 0.41 0.26 0.00 -2.00 0.00 0.00 55.36 54.01 2ckj s GLN 131 Cb 0.08 -0.17 0.64 0.00 0.80 0.00 0.00 33.01 34.37 2ckj s GLN 131 CO 0.81 -0.88 1.51 -0.35 -0.50 0.00 0.00 175.29 175.87 2ckj n PRO 132 N 5.37 1.57 -3.08 1.67 -0.04 -1.25 -4.09 135.00 135.15 2ckj n PRO 132 Ca -0.00 -1.08 -0.15 0.00 -0.04 0.00 0.00 63.50 62.23 2ckj n PRO 132 Cb 0.50 -1.48 -0.04 0.00 -0.04 0.00 0.00 33.50 32.44 2ckj n PRO 132 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2ckj s GLU 133 N -2.18 0.97 0.91 0.54 2.12 -1.26 -4.97 118.70 114.83 2ckj s GLU 133 Ca 0.30 -1.50 -0.12 0.00 0.36 0.00 0.00 54.97 54.00 2ckj s GLU 133 Cb 0.20 -0.69 0.19 0.00 0.26 0.00 0.00 34.13 34.09 2ckj s GLU 133 CO 0.40 -1.35 1.25 -1.25 -0.54 0.00 0.00 175.26 173.78 2ckj s PRO 134 N 0.56 0.83 0.15 4.30 0.04 -1.26 -4.73 135.00 134.89 2ckj s PRO 134 Ca 0.30 -0.61 0.04 0.00 0.04 0.00 0.00 61.00 60.77 2ckj s PRO 134 Cb 0.01 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2ckj s PRO 134 CO -0.11 -2.22 0.18 0.95 0.04 0.00 0.00 177.00 175.83 2ckj s THR 135 N -3.73 4.76 0.35 1.26 -4.23 -1.26 -3.47 115.64 109.32 2ckj s THR 135 Ca 0.73 -0.92 0.02 0.00 -1.18 0.00 0.00 61.69 60.34 2ckj s THR 135 Cb -0.04 -3.42 0.27 0.00 1.34 0.00 0.00 72.50 70.64 2ckj s THR 135 CO 0.51 -0.08 2.00 0.24 -0.54 0.00 0.00 174.62 176.76 2ckj h MET 136 N 2.43 0.86 -0.85 3.99 2.86 -1.95 -1.59 114.93 120.69 2ckj h MET 136 Ca -0.48 -0.05 0.08 0.00 -2.06 0.00 0.00 59.70 57.19 2ckj h MET 136 Cb 1.19 -0.19 -0.06 0.00 0.06 0.00 0.00 31.60 32.60 2ckj h MET 136 CO 0.65 0.57 0.55 1.49 1.06 0.00 0.00 176.91 181.23 2ckj h GLU 137 N 0.88 0.87 0.00 1.72 4.81 -1.96 -2.43 114.58 118.47 2ckj h GLU 137 Ca 0.25 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.32 2ckj h GLU 137 Cb -0.07 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.09 2ckj h GLU 137 CO -0.06 0.58 -0.48 0.93 -0.73 0.00 0.00 179.01 179.25 2ckj h GLU 138 N 0.90 0.00 0.00 1.92 5.08 -1.69 -2.34 114.58 118.45 2ckj h GLU 138 Ca 0.37 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 2ckj h GLU 138 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2ckj h GLU 138 CO -0.14 0.48 -0.05 0.82 -1.00 0.00 0.00 179.01 179.12 2ckj h ILE 139 N 0.00 0.08 0.00 3.13 2.04 -1.36 -3.15 117.51 118.25 2ckj h ILE 139 Ca -0.00 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.76 2ckj h ILE 139 Cb 1.24 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.34 2ckj h ILE 139 CO 0.06 0.05 0.03 1.21 0.00 0.00 0.00 178.15 179.50 2ckj n GLU 140 N -3.11 0.02 0.00 2.37 4.07 -0.88 -3.59 120.64 119.51 2ckj n GLU 140 Ca 0.04 0.49 0.00 0.00 -0.06 0.00 0.00 57.16 57.62 2ckj n GLU 140 Cb 0.54 -1.59 0.00 0.00 -0.06 0.00 0.00 31.44 30.33 2ckj n GLU 140 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2ckj n ASN 141 N -1.57 0.00 0.19 4.31 2.85 -1.24 -4.34 115.26 115.46 2ckj n ASN 141 Ca -0.00 0.00 0.14 0.00 -0.11 0.00 0.00 54.58 54.61 2ckj n ASN 141 Cb 0.04 0.00 0.64 0.00 1.24 0.00 0.00 39.78 41.70 2ckj n ASN 141 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ckj h ALA 142 N 0.00 1.00 -0.41 5.20 0.00 -1.60 -3.33 119.26 120.12 2ckj h ALA 142 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ckj h ALA 142 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2ckj h ALA 142 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 2ckj n PHE 143 N -2.52 0.53 -0.22 0.00 3.72 -1.26 -4.37 117.46 113.34 2ckj n PHE 143 Ca 0.00 -0.26 0.01 0.00 -0.05 0.00 0.00 57.45 57.15 2ckj n PHE 143 Cb 0.18 0.00 0.26 0.00 -0.94 0.00 0.00 39.48 38.97 2ckj n PHE 143 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 2ckj h GLN 144 N 4.31 0.96 -0.37 -1.08 4.20 -1.86 -1.77 115.11 119.51 2ckj h GLN 144 Ca 0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2ckj h GLN 144 Cb 0.95 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.52 2ckj h GLN 144 CO 0.00 0.64 0.00 0.41 -0.67 0.00 0.00 178.83 179.21 2ckj n GLY 145 N -1.42 0.47 3.23 3.46 0.00 -1.26 -4.79 105.19 104.87 2ckj n GLY 145 Ca 0.09 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 2ckj n GLY 145 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ckj s ASN 146 N -0.82 2.46 -0.04 1.61 -0.87 -0.66 -2.32 114.94 114.30 2ckj s ASN 146 Ca 0.15 -0.40 0.04 0.00 -1.57 0.00 0.00 52.86 51.08 2ckj s ASN 146 Cb 0.09 -0.26 -0.00 0.00 -0.02 0.00 0.00 41.25 41.05 2ckj s ASN 146 CO 0.09 0.24 -0.16 -0.76 -2.57 0.00 0.00 177.10 173.94 2ckj s LEU 147 N -0.60 1.92 0.02 0.60 1.43 -1.15 -4.69 118.68 116.22 2ckj s LEU 147 Ca 0.08 -0.33 0.09 0.00 -1.03 0.00 0.00 54.13 52.94 2ckj s LEU 147 Cb -0.08 -0.91 -0.03 0.00 0.03 0.00 0.00 46.19 45.20 2ckj s LEU 147 CO -0.00 0.15 -0.26 0.00 0.23 0.00 0.00 176.35 176.47 2ckj h ARG 149 N 5.04 0.33 -0.06 0.00 9.65 -1.93 -3.42 114.38 123.98 2ckj h ARG 149 Ca -0.45 -0.57 -0.10 0.00 -1.10 0.00 0.00 59.98 57.77 2ckj h ARG 149 Cb 1.14 0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 29.91 2ckj h ARG 149 CO 0.45 1.27 -0.41 0.00 2.80 0.00 0.00 179.97 184.08 2ckj n THR 151 N -4.04 0.00 -1.73 0.00 -2.24 -1.26 -4.17 114.28 100.84 2ckj n THR 151 Ca -0.02 -0.44 -0.13 0.00 -2.27 0.00 0.00 64.05 61.19 2ckj n THR 151 Cb 0.46 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.67 2ckj n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ckj n GLY 152 N 0.85 0.69 3.88 3.38 0.00 -1.26 -3.99 105.19 108.75 2ckj n GLY 152 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2ckj n GLY 152 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ckj n TYR 153 N -2.41 0.00 0.37 1.61 4.02 -1.26 -4.81 117.16 114.68 2ckj n TYR 153 Ca -0.14 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.57 2ckj n TYR 153 Cb 0.50 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.73 2ckj n TYR 153 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2ckj h ARG 154 N 0.15 -0.88 -0.95 -0.72 2.43 -1.99 -0.75 114.38 111.67 2ckj h ARG 154 Ca 0.00 0.06 0.21 0.00 -0.81 0.00 0.00 59.98 59.44 2ckj h ARG 154 Cb 0.00 0.20 -0.08 0.00 -0.42 0.00 0.00 29.97 29.67 2ckj h ARG 154 CO 0.00 -0.58 0.62 -1.00 -1.51 0.00 0.00 179.97 177.50 2ckj h PRO 155 N -0.96 0.48 0.32 0.20 0.13 -1.84 -0.62 132.00 129.71 2ckj h PRO 155 Ca -0.09 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.99 2ckj h PRO 155 Cb 0.71 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.74 2ckj h PRO 155 CO 0.15 0.32 -0.15 0.82 -0.23 0.00 0.00 178.00 178.91 2ckj h ILE 156 N 0.49 0.71 0.00 -3.56 2.04 -1.46 0.58 117.51 116.32 2ckj h ILE 156 Ca 0.51 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 2ckj h ILE 156 Cb 1.16 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 2ckj h ILE 156 CO -0.24 0.07 -0.04 -0.07 0.00 0.00 0.00 178.15 177.87 2ckj h LEU 157 N -0.61 0.00 0.00 1.44 3.38 -0.68 -1.69 115.31 117.15 2ckj h LEU 157 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2ckj h LEU 157 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2ckj h LEU 157 CO 0.07 0.04 -1.25 1.67 0.09 0.00 0.00 178.44 179.06 2ckj n GLN 158 N -3.14 0.59 0.08 1.13 7.27 -0.46 -1.19 117.38 121.66 2ckj n GLN 158 Ca 0.01 0.03 -0.05 0.00 0.07 0.00 0.00 57.00 57.06 2ckj n GLN 158 Cb 0.37 -1.73 -0.03 0.00 2.41 0.00 0.00 30.24 31.26 2ckj n GLN 158 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 2ckj h GLY 159 N 4.05 -0.90 2.00 1.69 0.00 0.55 -3.31 103.07 107.14 2ckj h GLY 159 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2ckj h GLY 159 CO 0.00 -0.31 0.00 0.74 0.00 0.00 0.00 176.54 176.97 2ckj h PHE 160 N -0.30 0.00 -0.99 5.60 0.04 -1.33 -2.98 116.94 116.99 2ckj h PHE 160 Ca -0.02 0.00 0.18 0.00 2.80 0.00 0.00 57.97 60.93 2ckj h PHE 160 Cb 0.26 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.32 2ckj h PHE 160 CO -0.14 0.00 0.61 0.07 -0.60 0.00 0.00 178.31 178.25 2ckj h ARG 161 N 0.00 0.71 -0.99 1.51 0.11 -1.24 0.86 114.38 115.34 2ckj h ARG 161 Ca 0.00 -0.04 0.29 0.00 0.10 0.00 0.00 59.98 60.32 2ckj h ARG 161 Cb 0.42 -0.16 -0.04 0.00 1.11 0.00 0.00 29.97 31.30 2ckj h ARG 161 CO 0.00 0.47 0.95 -2.37 0.10 0.00 0.00 179.97 179.12 2ckj n THR 162 N -4.69 0.00 0.21 0.08 5.66 -1.13 -0.26 114.28 114.15 2ckj n THR 162 Ca 0.22 0.98 0.05 0.00 -3.05 0.00 0.00 64.05 62.26 2ckj n THR 162 Cb 0.56 -1.72 0.22 0.00 -1.55 0.00 0.00 70.33 67.84 2ckj n THR 162 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 2ckj n PHE 163 N -2.94 0.94 -3.78 1.09 3.01 0.30 -4.96 117.46 111.12 2ckj n PHE 163 Ca 0.22 -0.37 -0.24 0.00 1.01 0.00 0.00 57.45 58.08 2ckj n PHE 163 Cb 1.25 -0.19 -0.17 0.00 -0.01 0.00 0.00 39.48 40.36 2ckj n PHE 163 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2ckj s ALA 164 N -1.76 0.78 0.00 4.37 0.00 0.64 -4.33 121.76 121.46 2ckj s ALA 164 Ca 0.31 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.03 2ckj s ALA 164 Cb 0.20 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.51 2ckj s ALA 164 CO 0.14 -0.55 0.00 0.54 0.00 0.00 0.00 175.76 175.89 2ckj n ARG 165 N 5.12 0.00 0.00 0.00 1.74 -1.23 -4.81 116.66 117.49 2ckj n ARG 165 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 2ckj n ARG 165 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 2ckj n ARG 165 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2ckj n PRO 193 N 0.00 0.00 -1.55 5.56 -0.04 -1.26 -4.73 135.00 132.98 2ckj n PRO 193 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 2ckj n PRO 193 Cb 0.00 -0.18 0.08 0.00 -0.04 0.00 0.00 33.50 33.36 2ckj n PRO 193 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ckj s SER 194 N 0.00 4.45 0.34 3.54 0.15 -1.26 -4.80 113.70 116.13 2ckj s SER 194 Ca 0.00 2.31 0.15 0.00 0.70 0.00 0.00 55.95 59.11 2ckj s SER 194 Cb 0.00 -2.58 0.60 0.00 -1.71 0.00 0.00 66.02 62.33 2ckj s SER 194 CO 0.00 -2.09 1.72 -0.07 1.20 0.00 0.00 173.24 174.00 2ckj h LEU 195 N -0.09 0.00 -7.00 3.45 3.38 -1.98 -3.49 115.31 109.58 2ckj h LEU 195 Ca -0.48 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.59 2ckj h LEU 195 Cb 1.29 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.78 2ckj h LEU 195 CO 0.51 0.45 0.58 0.72 0.09 0.00 0.00 178.44 180.80 2ckj s PHE 196 N -3.74 -0.35 -0.54 1.13 -0.12 -1.26 -5.00 117.98 108.10 2ckj s PHE 196 Ca -0.01 0.76 -0.16 0.00 -0.05 0.00 0.00 56.93 57.46 2ckj s PHE 196 Cb 0.12 0.42 0.12 0.00 -0.63 0.00 0.00 43.02 43.05 2ckj s PHE 196 CO 0.72 -0.22 0.51 0.15 -0.05 0.00 0.00 175.22 176.33 2ckj s LYS 197 N -0.33 3.00 0.00 1.99 -0.14 -1.26 -4.86 119.74 118.14 2ckj s LYS 197 Ca 0.03 -1.64 0.27 0.00 -1.36 0.00 0.00 55.97 53.26 2ckj s LYS 197 Cb -0.03 -4.28 1.52 0.00 -1.68 0.00 0.00 37.83 33.36 2ckj s LYS 197 CO -0.05 -1.32 1.99 -2.30 -0.76 0.00 0.00 175.35 172.90 2ckj n PRO 198 N 5.35 1.08 -0.01 -1.68 -0.02 -1.26 -2.26 135.00 136.20 2ckj n PRO 198 Ca -0.13 -0.11 0.14 0.00 -2.02 0.00 0.00 63.50 61.37 2ckj n PRO 198 Cb 0.41 -1.42 0.51 0.00 -0.02 0.00 0.00 33.50 32.97 2ckj n PRO 198 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2ckj n GLU 199 N -0.79 1.67 -0.00 -0.52 0.00 -1.26 -3.67 120.64 116.06 2ckj n GLU 199 Ca 0.20 -0.98 0.06 0.00 0.00 0.00 0.00 57.16 56.45 2ckj n GLU 199 Cb 0.12 -1.47 -0.08 0.00 0.00 0.00 0.00 31.44 30.00 2ckj n GLU 199 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 2ckj n GLU 200 N 0.19 1.88 -1.18 3.44 0.28 -0.96 -5.00 120.64 119.30 2ckj n GLU 200 Ca 0.19 -0.04 -0.46 0.00 -0.16 0.00 0.00 57.16 56.68 2ckj n GLU 200 Cb 0.35 -1.19 -0.07 0.00 1.43 0.00 0.00 31.44 31.97 2ckj n GLU 200 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2ckj n PHE 201 N -1.54 0.87 -2.23 -1.84 0.99 -1.24 -4.98 117.46 107.49 2ckj n PHE 201 Ca 0.01 0.80 -0.40 0.00 -0.00 0.00 0.00 57.45 57.86 2ckj n PHE 201 Cb 0.26 -1.57 -0.02 0.00 -1.00 0.00 0.00 39.48 37.15 2ckj n PHE 201 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 2ckj s THR 202 N 1.10 2.98 -0.08 4.37 -4.23 -1.26 -4.99 115.64 113.53 2ckj s THR 202 Ca 0.71 0.94 0.08 0.00 -1.18 0.00 0.00 61.69 62.24 2ckj s THR 202 Cb -1.00 -3.57 -0.24 0.00 1.34 0.00 0.00 72.50 69.02 2ckj s THR 202 CO 0.50 0.18 0.51 -0.81 -0.54 0.00 0.00 174.62 174.47 2ckj n PRO 203 N 0.62 0.67 -0.27 3.99 -0.05 -1.26 -4.79 135.00 133.92 2ckj n PRO 203 Ca 0.01 0.26 0.00 0.00 -0.05 0.00 0.00 63.50 63.72 2ckj n PRO 203 Cb 0.44 -1.74 0.00 0.00 -0.05 0.00 0.00 33.50 32.15 2ckj n PRO 203 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 175.50 175.34 2ckj n LEU 204 N -3.14 -0.60 -3.74 1.53 7.94 -1.26 -5.07 117.00 112.66 2ckj n LEU 204 Ca -0.23 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.39 2ckj n LEU 204 Cb 1.06 -0.30 -0.16 0.00 0.53 0.00 0.00 43.42 44.55 2ckj n LEU 204 CO 0.44 0.00 -0.36 -0.62 -1.11 0.00 0.00 177.39 175.74 2ckj s ASP 205 N 0.00 3.21 0.00 1.96 -1.08 -1.26 -5.02 116.67 114.48 2ckj s ASP 205 Ca 0.00 -1.02 0.31 0.00 -0.52 0.00 0.00 52.55 51.32 2ckj s ASP 205 Cb 0.00 -0.68 1.64 0.00 -1.46 0.00 0.00 42.92 42.42 2ckj s ASP 205 CO 0.00 -0.33 2.08 -2.65 0.52 0.00 0.00 175.17 174.79 2ckj n PRO 206 N 4.99 1.10 0.00 4.34 -0.02 -1.26 -2.90 135.00 141.25 2ckj n PRO 206 Ca -0.08 -0.24 0.09 0.00 -2.02 0.00 0.00 63.50 61.25 2ckj n PRO 206 Cb 0.46 -1.50 0.44 0.00 -0.02 0.00 0.00 33.50 32.89 2ckj n PRO 206 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2ckj n THR 207 N -0.74 0.54 -0.31 3.45 -2.24 -1.26 -3.79 114.28 109.92 2ckj n THR 207 Ca 0.22 0.13 0.06 0.00 -2.27 0.00 0.00 64.05 62.19 2ckj n THR 207 Cb 0.19 -0.82 0.17 0.00 -2.10 0.00 0.00 70.33 67.77 2ckj n THR 207 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2ckj n GLN 208 N -1.36 2.90 -2.18 -0.78 -0.06 -1.14 -4.97 117.38 109.79 2ckj n GLN 208 Ca 0.07 -2.19 -0.29 0.00 -2.00 0.00 0.00 57.00 52.59 2ckj n GLN 208 Cb 0.17 -1.37 0.02 0.00 -4.06 0.00 0.00 30.24 25.00 2ckj n GLN 208 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 2ckj s GLU 209 N -1.30 3.26 0.69 3.69 0.41 -1.25 -5.05 118.70 119.15 2ckj s GLU 209 Ca 0.27 0.38 -0.13 0.00 -0.41 0.00 0.00 54.97 55.08 2ckj s GLU 209 Cb 0.16 -2.18 0.01 0.00 -1.78 0.00 0.00 34.13 30.34 2ckj s GLU 209 CO 0.15 -0.62 1.08 -1.25 -0.49 0.00 0.00 175.26 174.13 2ckj s PRO 210 N -5.07 2.81 0.02 0.39 0.04 -1.26 -5.01 135.00 126.91 2ckj s PRO 210 Ca 0.54 1.16 -0.05 0.00 0.04 0.00 0.00 61.00 62.69 2ckj s PRO 210 Cb -0.11 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 2ckj s PRO 210 CO 0.49 -1.22 0.24 -1.50 0.04 0.00 0.00 177.00 175.06 2ckj s ILE 211 N -2.73 5.34 -0.27 0.56 -1.16 -1.26 -5.01 121.20 116.67 2ckj s ILE 211 Ca 0.62 0.01 -0.29 0.00 -0.51 0.00 0.00 60.65 60.48 2ckj s ILE 211 Cb -0.17 -3.56 -0.01 0.00 0.61 0.00 0.00 42.46 39.33 2ckj s ILE 211 CO 0.49 0.31 1.51 0.12 -2.81 0.00 0.00 174.94 174.56 2ckj s PHE 212 N -1.35 2.29 -0.06 3.50 5.36 -1.26 -4.80 117.98 121.66 2ckj s PHE 212 Ca 0.29 0.66 -0.38 0.00 -0.96 0.00 0.00 56.93 56.53 2ckj s PHE 212 Cb -0.13 -4.01 -0.17 0.00 -0.34 0.00 0.00 43.02 38.38 2ckj s PHE 212 CO 0.18 -2.47 1.47 -2.30 -1.46 0.00 0.00 175.22 170.64 2ckj n PRO 213 N 7.66 1.04 0.00 10.12 -0.02 -1.26 -4.77 135.00 147.77 2ckj n PRO 213 Ca 0.18 0.38 0.14 0.00 -2.02 0.00 0.00 63.50 62.17 2ckj n PRO 213 Cb 0.46 -2.02 0.73 0.00 -0.02 0.00 0.00 33.50 32.64 2ckj n PRO 213 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2ckj n PRO 214 N 3.50 0.47 0.08 0.52 -0.04 -1.26 -2.54 135.00 135.73 2ckj n PRO 214 Ca 0.22 0.02 -0.11 0.00 -0.04 0.00 0.00 63.50 63.58 2ckj n PRO 214 Cb 0.15 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.98 2ckj n PRO 214 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2ckj h GLU 215 N 0.00 0.13 -7.45 0.54 4.81 -1.99 -3.14 114.58 107.48 2ckj h GLU 215 Ca 0.00 -0.23 -0.45 0.00 -0.13 0.00 0.00 59.36 58.55 2ckj h GLU 215 Cb 0.23 0.08 0.15 0.00 0.63 0.00 0.00 28.75 29.84 2ckj h GLU 215 CO 0.00 1.11 0.25 -0.51 -0.73 0.00 0.00 179.01 179.13 2ckj s LEU 216 N -6.92 1.77 0.00 1.64 1.43 -1.05 -3.08 118.68 112.46 2ckj s LEU 216 Ca -0.01 0.99 0.00 0.00 -1.03 0.00 0.00 54.13 54.08 2ckj s LEU 216 Cb 0.09 -3.21 0.00 0.00 0.03 0.00 0.00 46.19 43.09 2ckj s LEU 216 CO 0.85 -2.89 0.00 0.18 0.23 0.00 0.00 176.35 174.72 2ckj n LEU 217 N -3.99 0.00 0.03 1.79 4.77 -1.26 -4.40 117.00 113.94 2ckj n LEU 217 Ca 0.07 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.17 2ckj n LEU 217 Cb 0.59 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 42.18 2ckj n LEU 217 CO 0.56 0.00 0.89 0.54 -1.33 0.00 0.00 177.39 178.06 2ckj n ARG 218 N 0.00 0.07 0.00 3.23 1.74 -1.18 -4.43 116.66 116.08 2ckj n ARG 218 Ca 0.00 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 2ckj n ARG 218 Cb 0.00 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 2ckj n ARG 218 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2ckj n LEU 219 N -1.71 0.00 0.00 0.55 7.99 -1.18 -4.71 117.00 117.94 2ckj n LEU 219 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.06 2ckj n LEU 219 Cb 0.32 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.63 2ckj n LEU 219 CO 0.24 0.00 0.00 2.29 -1.51 0.00 0.00 177.39 178.41 2ckj n LYS 220 N 0.00 0.00 0.00 3.23 2.85 -1.26 -3.62 118.16 119.36 2ckj n LYS 220 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2ckj n LYS 220 Cb 0.00 -0.36 0.00 0.00 -0.65 0.00 0.00 35.03 34.02 2ckj n LYS 220 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2ckj n ASP 221 N 0.00 0.00 -0.24 -5.58 8.00 -1.26 -4.97 116.55 112.50 2ckj n ASP 221 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 2ckj n ASP 221 Cb 0.00 -0.15 -0.01 0.00 -0.02 0.00 0.00 41.12 40.94 2ckj n ASP 221 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2ckj n THR 222 N -2.04 0.00 -2.45 -3.53 -1.04 -1.24 -4.88 114.28 99.09 2ckj n THR 222 Ca 0.00 -0.03 -0.27 0.00 -2.04 0.00 0.00 64.05 61.71 2ckj n THR 222 Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 2ckj n THR 222 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2ckj s PRO 223 N 0.35 3.30 0.08 -2.82 0.04 -1.26 -5.00 135.00 129.69 2ckj s PRO 223 Ca 0.05 0.18 -0.12 0.00 0.04 0.00 0.00 61.00 61.15 2ckj s PRO 223 Cb -0.03 -2.30 -0.06 0.00 0.04 0.00 0.00 34.50 32.15 2ckj s PRO 223 CO 0.02 -0.45 0.44 -0.98 0.04 0.00 0.00 177.00 176.07 2ckj s ARG 224 N -4.89 3.84 0.18 4.56 1.70 -1.26 -5.06 118.95 118.01 2ckj s ARG 224 Ca 0.51 0.29 0.08 0.00 -0.47 0.00 0.00 55.73 56.14 2ckj s ARG 224 Cb -0.10 -3.02 -0.04 0.00 -0.57 0.00 0.00 34.95 31.21 2ckj s ARG 224 CO 0.46 0.56 -0.16 -1.59 -1.08 0.00 0.00 175.30 173.49 2ckj s LYS 225 N -1.78 1.27 0.70 3.89 0.00 -1.26 -4.97 119.74 117.60 2ckj s LYS 225 Ca 0.33 -1.46 -0.16 0.00 0.00 0.00 0.00 55.97 54.68 2ckj s LYS 225 Cb -0.15 -1.21 0.02 0.00 0.00 0.00 0.00 37.83 36.49 2ckj s LYS 225 CO 0.18 0.23 1.21 1.14 0.00 0.00 0.00 175.35 178.10 2ckj s GLN 226 N -3.08 2.30 0.03 1.78 -2.07 -1.26 -4.91 119.66 112.46 2ckj s GLN 226 Ca 0.17 1.76 0.03 0.00 -1.82 0.00 0.00 55.36 55.51 2ckj s GLN 226 Cb -0.04 -1.85 -0.02 0.00 -1.09 0.00 0.00 33.01 30.01 2ckj s GLN 226 CO 0.06 -1.71 -0.09 -0.51 -1.32 0.00 0.00 175.29 171.72 2ckj s LEU 227 N -4.96 2.19 -0.09 2.60 1.43 -0.92 -4.78 118.68 114.15 2ckj s LEU 227 Ca 0.75 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.42 2ckj s LEU 227 Cb -0.29 -0.31 0.02 0.00 0.03 0.00 0.00 46.19 45.63 2ckj s LEU 227 CO 0.43 -0.09 -0.12 -0.60 0.23 0.00 0.00 176.35 176.21 2ckj s ARG 228 N -1.20 1.82 0.06 1.70 3.52 -1.07 0.73 118.95 124.50 2ckj s ARG 228 Ca -0.04 -0.42 0.06 0.00 -0.13 0.00 0.00 55.73 55.20 2ckj s ARG 228 Cb -0.08 -1.59 -0.04 0.00 -1.56 0.00 0.00 34.95 31.68 2ckj s ARG 228 CO 0.01 -0.07 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.25 2ckj s PHE 229 N 1.01 2.73 -0.09 5.12 2.99 -0.36 -4.31 117.98 125.06 2ckj s PHE 229 Ca -0.08 -0.15 0.02 0.00 0.00 0.00 0.00 56.93 56.72 2ckj s PHE 229 Cb -0.15 -1.49 0.02 0.00 0.00 0.00 0.00 43.02 41.40 2ckj s PHE 229 CO -0.01 0.36 -0.13 -1.21 -0.00 0.00 0.00 175.22 174.23 2ckj s GLU 230 N -1.74 1.90 0.00 0.44 2.02 -1.26 -1.08 118.70 118.98 2ckj s GLU 230 Ca 0.18 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.72 2ckj s GLU 230 Cb -0.11 -1.65 0.00 0.00 0.10 0.00 0.00 34.13 32.47 2ckj s GLU 230 CO 0.09 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.72 2ckj n GLY 231 N 4.17 2.89 0.10 -1.39 0.00 -0.74 -4.74 105.19 105.48 2ckj n GLY 231 Ca -0.19 -1.92 -0.11 0.00 0.00 0.00 0.00 46.02 43.80 2ckj n GLY 231 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ckj n GLU 232 N 0.00 0.67 0.00 1.61 2.13 -1.26 -4.60 120.64 119.19 2ckj n GLU 232 Ca 0.00 0.16 0.00 0.00 0.66 0.00 0.00 57.16 57.98 2ckj n GLU 232 Cb 0.00 -1.65 0.00 0.00 0.27 0.00 0.00 31.44 30.06 2ckj n GLU 232 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2ckj n ARG 233 N -2.99 3.41 -4.05 5.31 1.74 -1.26 -5.12 116.66 113.70 2ckj n ARG 233 Ca -0.28 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.68 2ckj n ARG 233 Cb 1.09 -0.33 -0.12 0.00 -1.02 0.00 0.00 32.46 32.08 2ckj n ARG 233 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2ckj s VAL 234 N -0.13 0.42 -0.09 1.55 1.01 -1.26 -4.78 120.40 117.12 2ckj s VAL 234 Ca 0.00 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.11 2ckj s VAL 234 Cb 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 2ckj s VAL 234 CO 0.00 -0.33 -0.19 -0.89 0.00 0.00 0.00 175.10 173.68 2ckj s THR 235 N -1.19 2.52 -0.09 3.92 2.01 -0.31 -1.79 115.64 120.71 2ckj s THR 235 Ca -0.09 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.06 2ckj s THR 235 Cb -0.09 -1.98 -0.01 0.00 0.01 0.00 0.00 72.50 70.43 2ckj s THR 235 CO 0.00 0.56 -0.21 0.86 -0.69 0.00 0.00 174.62 175.14 2ckj s TRP 236 N 0.00 2.60 -0.14 4.92 -0.11 -0.24 -1.53 118.94 124.44 2ckj s TRP 236 Ca -0.07 -0.77 -0.00 0.00 1.22 0.00 0.00 56.10 56.48 2ckj s TRP 236 Cb -0.15 -1.71 0.03 0.00 -1.50 0.00 0.00 33.47 30.15 2ckj s TRP 236 CO 0.05 -0.26 -0.08 0.42 -4.62 0.00 0.00 176.95 172.46 2ckj s ILE 237 N 0.11 1.19 -0.42 5.86 1.01 -0.12 -1.22 121.20 127.61 2ckj s ILE 237 Ca -0.10 -0.48 -0.15 0.00 0.00 0.00 0.00 60.65 59.92 2ckj s ILE 237 Cb -0.16 -1.23 0.02 0.00 0.01 0.00 0.00 42.46 41.11 2ckj s ILE 237 CO 0.06 0.32 0.33 -1.58 0.00 0.00 0.00 174.94 174.06 2ckj s GLN 238 N 1.63 2.99 0.27 2.79 2.00 0.22 -1.85 119.66 127.72 2ckj s GLN 238 Ca 0.04 -1.00 -0.04 0.00 -2.00 0.00 0.00 55.36 52.36 2ckj s GLN 238 Cb -0.13 -3.99 -0.05 0.00 0.80 0.00 0.00 33.01 29.64 2ckj s GLN 238 CO -0.09 -0.78 0.53 0.00 -0.50 0.00 0.00 175.29 174.45 2ckj s ALA 239 N 1.75 3.65 -0.01 1.58 0.00 -0.74 -2.16 121.76 125.84 2ckj s ALA 239 Ca 0.06 -0.60 -0.00 0.00 0.00 0.00 0.00 51.96 51.42 2ckj s ALA 239 Cb -0.19 -2.25 -0.00 0.00 0.00 0.00 0.00 23.12 20.67 2ckj s ALA 239 CO 0.10 0.28 -0.01 -1.13 0.00 0.00 0.00 175.76 175.00 2ckj n SER 240 N -0.88 3.02 -4.93 0.00 3.41 -1.26 -4.53 113.62 108.45 2ckj n SER 240 Ca -0.02 -0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.39 2ckj n SER 240 Cb 0.54 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 2ckj n SER 240 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2ckj s THR 241 N -2.02 4.09 0.11 6.66 -1.32 -1.26 -4.61 115.64 117.30 2ckj s THR 241 Ca -0.01 -1.15 -0.16 0.00 -1.21 0.00 0.00 61.69 59.16 2ckj s THR 241 Cb 0.00 -3.40 -0.04 0.00 -1.51 0.00 0.00 72.50 67.55 2ckj s THR 241 CO 0.02 -0.20 1.54 0.25 -2.21 0.00 0.00 174.62 174.01 2ckj h LEU 242 N 1.10 0.64 -0.76 9.08 5.85 -1.96 -2.88 115.31 126.38 2ckj h LEU 242 Ca -0.46 -0.33 0.17 0.00 0.84 0.00 0.00 57.88 58.09 2ckj h LEU 242 Cb 1.25 -0.17 -0.11 0.00 0.37 0.00 0.00 40.66 42.00 2ckj h LEU 242 CO 0.56 0.82 0.22 0.50 -0.34 0.00 0.00 178.44 180.21 2ckj h LYS 243 N 0.45 0.30 0.00 1.25 3.64 -2.00 -2.00 116.57 118.21 2ckj h LYS 243 Ca 0.10 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2ckj h LYS 243 Cb 0.51 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2ckj h LYS 243 CO 0.03 0.20 0.00 -0.85 -2.27 0.00 0.00 179.45 176.55 2ckj n GLU 244 N -5.12 0.13 0.03 1.90 0.28 -1.09 -2.14 120.64 114.62 2ckj n GLU 244 Ca 0.15 0.29 -0.03 0.00 -0.16 0.00 0.00 57.16 57.41 2ckj n GLU 244 Cb 0.48 -1.71 -0.02 0.00 1.43 0.00 0.00 31.44 31.62 2ckj n GLU 244 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2ckj h LEU 245 N 0.00 -0.15 -1.71 -1.84 5.85 -1.34 -2.89 115.31 113.22 2ckj h LEU 245 Ca 0.00 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.80 2ckj h LEU 245 Cb 0.41 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 2ckj h LEU 245 CO 0.00 0.34 0.38 -0.07 -0.34 0.00 0.00 178.44 178.75 2ckj h LEU 246 N -1.04 0.29 -0.08 2.25 3.38 -1.31 0.19 115.31 118.98 2ckj h LEU 246 Ca -0.02 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2ckj h LEU 246 Cb 0.16 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2ckj h LEU 246 CO 0.03 0.17 -0.04 0.44 0.09 0.00 0.00 178.44 179.13 2ckj h ASP 247 N 0.32 0.18 0.10 -0.43 5.19 -1.58 -1.70 116.42 118.50 2ckj h ASP 247 Ca 0.26 -0.42 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 2ckj h ASP 247 Cb 0.59 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.04 2ckj h ASP 247 CO -0.06 0.56 -0.11 0.25 -3.12 0.00 0.00 179.24 176.77 2ckj h LEU 248 N -0.20 -0.28 -1.93 1.55 5.85 -1.00 -2.42 115.31 116.87 2ckj h LEU 248 Ca 0.02 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.80 2ckj h LEU 248 Cb 0.50 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2ckj h LEU 248 CO 0.01 -0.16 0.13 0.11 -0.34 0.00 0.00 178.44 178.19 2ckj h LYS 249 N -0.23 0.09 -0.02 1.25 1.79 -0.72 -2.00 116.57 116.72 2ckj h LYS 249 Ca 0.01 -0.01 -0.15 0.00 -2.18 0.00 0.00 60.65 58.32 2ckj h LYS 249 Cb 0.23 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.84 2ckj h LYS 249 CO -0.04 0.06 -0.70 0.00 -1.08 0.00 0.00 179.45 177.69 2ckj h ALA 250 N 1.90 0.80 0.00 3.86 0.00 -0.80 -3.07 119.26 121.95 2ckj h ALA 250 Ca 0.08 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2ckj h ALA 250 Cb 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2ckj h ALA 250 CO -0.01 0.83 -0.93 0.00 0.00 0.00 0.00 179.25 179.15 2ckj n GLN 251 N -3.75 0.16 -3.37 0.00 10.64 -1.12 -4.61 117.38 115.31 2ckj n GLN 251 Ca -0.02 -0.01 -0.25 0.00 -1.83 0.00 0.00 57.00 54.89 2ckj n GLN 251 Cb 0.68 -1.54 -0.10 0.00 -0.86 0.00 0.00 30.24 28.42 2ckj n GLN 251 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 2ckj s HIS 252 N -3.11 0.63 -1.22 2.61 3.76 -0.77 -5.03 115.29 112.17 2ckj s HIS 252 Ca 0.06 -1.81 0.28 0.00 -0.15 0.00 0.00 55.06 53.44 2ckj s HIS 252 Cb 0.16 -0.77 1.32 0.00 1.11 0.00 0.00 32.58 34.39 2ckj s HIS 252 CO 0.80 -0.87 1.94 -2.30 -0.85 0.00 0.00 174.74 173.46 2ckj n PRO 253 N 3.40 0.21 -0.23 8.40 -0.02 -1.16 -3.29 135.00 142.30 2ckj n PRO 253 Ca 0.21 0.02 0.08 0.00 -2.02 0.00 0.00 63.50 61.80 2ckj n PRO 253 Cb 0.45 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.64 2ckj n PRO 253 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2ckj n ASP 254 N -1.39 3.28 -4.76 2.55 5.75 -1.26 -4.69 116.55 116.03 2ckj n ASP 254 Ca 0.10 -1.96 -0.40 0.00 -0.01 0.00 0.00 54.79 52.52 2ckj n ASP 254 Cb 0.28 -0.31 -0.05 0.00 -1.03 0.00 0.00 41.12 40.01 2ckj n ASP 254 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ckj s ALA 255 N -1.05 3.37 -0.13 2.12 0.00 -1.21 -4.86 121.76 120.01 2ckj s ALA 255 Ca 0.33 0.81 -0.03 0.00 0.00 0.00 0.00 51.96 53.08 2ckj s ALA 255 Cb 0.18 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 2ckj s ALA 255 CO 0.24 -0.07 -0.02 0.21 0.00 0.00 0.00 175.76 176.12 2ckj s LYS 256 N -1.45 3.39 -0.24 0.00 2.47 -0.75 -4.88 119.74 118.28 2ckj s LYS 256 Ca 0.44 -0.48 -0.22 0.00 -1.56 0.00 0.00 55.97 54.15 2ckj s LYS 256 Cb -0.30 -2.86 -0.01 0.00 -1.46 0.00 0.00 37.83 33.20 2ckj s LYS 256 CO 0.38 0.43 0.73 -0.51 0.16 0.00 0.00 175.35 176.54 2ckj s LEU 257 N -0.14 4.08 -0.15 5.43 1.43 -1.26 -1.71 118.68 126.36 2ckj s LEU 257 Ca 0.04 0.88 -0.02 0.00 -1.03 0.00 0.00 54.13 54.00 2ckj s LEU 257 Cb -0.13 -3.02 -0.02 0.00 0.03 0.00 0.00 46.19 43.05 2ckj s LEU 257 CO 0.02 -0.43 -0.09 -0.69 0.23 0.00 0.00 176.35 175.39 2ckj s VAL 258 N 2.59 3.31 0.00 -1.59 1.01 -0.89 -5.00 120.40 119.83 2ckj s VAL 258 Ca 0.31 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.73 2ckj s VAL 258 Cb -0.15 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.80 2ckj s VAL 258 CO 0.08 0.50 0.00 0.52 0.00 0.00 0.00 175.10 176.21 2ckj n VAL 259 N 3.70 0.00 0.02 2.92 0.31 -1.26 -4.02 118.33 120.00 2ckj n VAL 259 Ca -0.18 0.07 0.10 0.00 -0.01 0.00 0.00 64.34 64.33 2ckj n VAL 259 Cb 0.52 -0.99 -0.12 0.00 -0.91 0.00 0.00 33.84 32.35 2ckj n VAL 259 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ckj n GLY 260 N 3.25 -1.15 2.36 2.92 0.00 -1.26 -4.99 105.19 106.31 2ckj n GLY 260 Ca 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.57 2ckj n GLY 260 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ckj n ASN 261 N -2.41 -4.17 0.00 1.61 5.15 -1.26 -4.81 115.26 109.36 2ckj n ASN 261 Ca -0.04 0.08 0.10 0.00 -0.60 0.00 0.00 54.58 54.13 2ckj n ASN 261 Cb 0.58 -1.95 0.61 0.00 -0.53 0.00 0.00 39.78 38.49 2ckj n ASN 261 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2ckj n THR 262 N -2.64 0.00 0.00 -0.44 -2.24 -1.26 -2.08 114.28 105.61 2ckj n THR 262 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2ckj n THR 262 Cb 0.24 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 2ckj n THR 262 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2ckj n GLU 263 N -0.92 0.00 -0.24 -0.78 4.07 -1.26 -4.50 120.64 117.01 2ckj n GLU 263 Ca 0.15 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.22 2ckj n GLU 263 Cb 0.07 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.44 2ckj n GLU 263 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 2ckj n ILE 264 N -1.41 -0.36 -0.35 6.31 2.08 -1.26 -0.84 119.36 123.52 2ckj n ILE 264 Ca 0.00 1.45 0.04 0.00 0.56 0.00 0.00 62.75 64.80 2ckj n ILE 264 Cb 0.00 -1.86 0.11 0.00 -0.75 0.00 0.00 39.64 37.14 2ckj n ILE 264 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2ckj n GLY 265 N -1.23 -1.71 0.51 7.39 0.00 -0.88 -0.69 105.19 108.58 2ckj n GLY 265 Ca 0.04 1.04 -0.20 0.00 0.00 0.00 0.00 46.02 46.90 2ckj n GLY 265 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2ckj h ILE 266 N 0.00 0.00 -0.94 -0.61 1.08 -1.22 -1.60 117.51 114.22 2ckj h ILE 266 Ca 0.42 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 65.08 2ckj h ILE 266 Cb 0.66 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.31 2ckj h ILE 266 CO -0.98 0.00 0.52 -0.33 -0.69 0.00 0.00 178.15 176.68 2ckj h GLU 267 N -1.28 0.64 0.01 2.37 5.08 -0.46 -1.45 114.58 119.49 2ckj h GLU 267 Ca -0.13 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 57.98 2ckj h GLU 267 Cb 0.98 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 2ckj h GLU 267 CO 0.20 0.42 -0.92 0.52 -1.00 0.00 0.00 179.01 178.24 2ckj h MET 268 N 0.66 0.29 0.00 2.33 2.86 -0.86 -2.37 114.93 117.84 2ckj h MET 268 Ca 0.54 -0.32 -0.19 0.00 -2.06 0.00 0.00 59.70 57.67 2ckj h MET 268 Cb 0.86 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.58 2ckj h MET 268 CO -0.40 1.03 -0.96 -0.22 1.06 0.00 0.00 176.91 177.41 2ckj h LYS 269 N 0.16 0.00 0.00 1.72 3.64 -0.55 -3.39 116.57 118.15 2ckj h LYS 269 Ca -0.06 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 2ckj h LYS 269 Cb 1.56 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.37 2ckj h LYS 269 CO 0.15 0.84 -1.17 1.19 -2.27 0.00 0.00 179.45 178.19 2ckj n PHE 270 N -3.29 0.00 -2.39 1.91 3.01 -0.62 -4.66 117.46 111.43 2ckj n PHE 270 Ca -0.01 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.14 2ckj n PHE 270 Cb 0.90 -0.11 0.01 0.00 -0.01 0.00 0.00 39.48 40.27 2ckj n PHE 270 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2ckj n LYS 271 N -1.97 3.32 0.00 -1.08 5.02 -0.90 -4.97 118.16 117.57 2ckj n LYS 271 Ca -0.03 -4.30 0.00 0.00 -2.02 0.00 0.00 58.31 51.95 2ckj n LYS 271 Cb 0.46 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.20 2ckj n LYS 271 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2ckj n ASN 272 N -0.46 0.00 -4.83 4.39 5.03 -1.25 -4.86 115.26 113.28 2ckj n ASN 272 Ca 0.42 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.53 2ckj n ASN 272 Cb 0.52 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.21 2ckj n ASN 272 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 2ckj s MET 273 N 0.00 4.15 -0.27 3.52 -1.94 -1.19 -5.04 119.30 118.53 2ckj s MET 273 Ca 0.00 0.81 -0.02 0.00 -1.71 0.00 0.00 55.69 54.77 2ckj s MET 273 Cb 0.00 -2.63 0.09 0.00 2.01 0.00 0.00 34.83 34.29 2ckj s MET 273 CO 0.00 0.26 0.09 -1.17 -0.01 0.00 0.00 175.02 174.19 2ckj s LEU 274 N -2.50 1.43 -0.09 -0.03 2.96 -1.26 -4.36 118.68 114.83 2ckj s LEU 274 Ca 0.49 -1.30 -0.19 0.00 -0.22 0.00 0.00 54.13 52.92 2ckj s LEU 274 Cb -0.13 -0.63 -0.04 0.00 0.50 0.00 0.00 46.19 45.88 2ckj s LEU 274 CO 0.19 -0.39 0.51 -0.36 -1.32 0.00 0.00 176.35 174.97 2ckj s PHE 275 N 1.83 3.56 -0.88 5.38 0.40 -1.26 -4.97 117.98 122.04 2ckj s PHE 275 Ca 0.07 0.97 0.23 0.00 -0.60 0.00 0.00 56.93 57.59 2ckj s PHE 275 Cb -0.17 -2.56 0.04 0.00 0.51 0.00 0.00 43.02 40.84 2ckj s PHE 275 CO -0.24 0.22 1.06 -0.35 0.70 0.00 0.00 175.22 176.62 2ckj n PRO 276 N 3.40 0.08 -3.74 0.24 -0.04 -1.26 -4.73 135.00 128.95 2ckj n PRO 276 Ca -0.07 -0.01 -0.19 0.00 -0.04 0.00 0.00 63.50 63.19 2ckj n PRO 276 Cb 0.52 -1.52 -0.17 0.00 -0.04 0.00 0.00 33.50 32.28 2ckj n PRO 276 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 2ckj s MET 277 N -3.06 0.11 -0.07 0.54 1.75 -1.26 -1.16 119.30 116.15 2ckj s MET 277 Ca 0.07 0.26 0.05 0.00 -1.25 0.00 0.00 55.69 54.82 2ckj s MET 277 Cb 0.16 -0.55 -0.01 0.00 2.84 0.00 0.00 34.83 37.26 2ckj s MET 277 CO 0.81 -0.27 -0.22 0.42 -0.65 0.00 0.00 175.02 175.11 2ckj s ILE 278 N 1.80 2.35 -0.05 10.11 1.01 -0.58 -1.80 121.20 134.04 2ckj s ILE 278 Ca 0.01 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.74 2ckj s ILE 278 Cb -0.12 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 2ckj s ILE 278 CO -0.03 0.57 -0.14 0.54 0.00 0.00 0.00 174.94 175.87 2ckj s VAL 279 N -0.17 3.05 -0.12 2.92 0.11 -0.69 -0.95 120.40 124.54 2ckj s VAL 279 Ca -0.02 -0.72 0.02 0.00 -2.93 0.00 0.00 61.98 58.32 2ckj s VAL 279 Cb -0.14 -2.20 0.01 0.00 -1.53 0.00 0.00 36.38 32.53 2ckj s VAL 279 CO 0.04 0.59 -0.18 0.00 -3.33 0.00 0.00 175.10 172.21 2ckj n PRO 281 N 4.15 0.00 0.00 0.00 -0.02 -1.26 -1.79 135.00 136.08 2ckj n PRO 281 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 2ckj n PRO 281 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 2ckj n PRO 281 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ckj n ALA 282 N -3.00 0.00 0.22 3.55 0.00 -1.26 -4.18 120.51 115.84 2ckj n ALA 282 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2ckj n ALA 282 Cb 0.00 0.00 0.41 0.00 0.00 0.00 0.00 19.45 19.86 2ckj n ALA 282 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2ckj h TRP 283 N 0.00 0.00 -3.03 0.00 4.06 -1.87 -3.47 115.95 111.64 2ckj h TRP 283 Ca 0.00 0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.38 2ckj h TRP 283 Cb 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.12 2ckj h TRP 283 CO 0.00 0.21 1.06 0.42 -3.56 0.00 0.00 178.44 176.57 2ckj s ILE 284 N -3.53 3.90 0.26 1.49 -1.09 -1.26 -4.91 121.20 116.06 2ckj s ILE 284 Ca 0.02 0.99 -0.04 0.00 -2.23 0.00 0.00 60.65 59.39 2ckj s ILE 284 Cb 0.09 -4.00 0.27 0.00 -1.58 0.00 0.00 42.46 37.25 2ckj s ILE 284 CO 0.64 -0.48 1.65 -0.65 -1.23 0.00 0.00 174.94 174.87 2ckj h PRO 285 N 10.32 0.18 -0.69 2.79 0.10 -1.90 0.17 132.00 142.97 2ckj h PRO 285 Ca -0.29 -0.01 0.13 0.00 0.10 0.00 0.00 66.00 65.93 2ckj h PRO 285 Cb 1.12 -0.04 -0.04 0.00 0.10 0.00 0.00 31.00 32.14 2ckj h PRO 285 CO 1.04 0.12 0.46 0.93 0.10 0.00 0.00 178.00 180.65 2ckj h GLU 286 N 0.19 0.39 -0.33 1.05 3.07 -2.00 -0.34 114.58 116.61 2ckj h GLU 286 Ca 0.45 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 2ckj h GLU 286 Cb 0.82 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 2ckj h GLU 286 CO -0.61 0.26 0.00 1.28 -1.40 0.00 0.00 179.01 178.54 2ckj n LEU 287 N -4.47 2.00 0.00 1.33 4.77 0.60 -3.67 117.00 117.56 2ckj n LEU 287 Ca 0.12 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 2ckj n LEU 287 Cb 0.47 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2ckj n LEU 287 CO 0.33 0.48 0.24 0.59 -1.33 0.00 0.00 177.39 177.70 2ckj n ASN 288 N 0.58 0.93 -4.85 -1.43 3.02 -0.15 -0.64 115.26 112.71 2ckj n ASN 288 Ca 0.14 -1.13 -0.32 0.00 -0.03 0.00 0.00 54.58 53.24 2ckj n ASN 288 Cb 0.33 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.45 2ckj n ASN 288 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2ckj s SER 289 N -0.13 6.70 0.01 6.41 1.04 -1.12 -4.65 113.70 121.96 2ckj s SER 289 Ca 0.00 1.30 0.03 0.00 0.48 0.00 0.00 55.95 57.77 2ckj s SER 289 Cb 0.00 -2.39 -0.03 0.00 0.10 0.00 0.00 66.02 63.70 2ckj s SER 289 CO 0.00 -0.32 -0.05 0.68 0.98 0.00 0.00 173.24 174.53 2ckj s VAL 290 N -2.19 3.75 -0.10 5.02 -7.23 -1.26 0.24 120.40 118.62 2ckj s VAL 290 Ca 0.55 -0.77 -0.05 0.00 -1.81 0.00 0.00 61.98 59.89 2ckj s VAL 290 Cb -0.10 -2.65 0.05 0.00 0.56 0.00 0.00 36.38 34.24 2ckj s VAL 290 CO 0.23 0.37 0.24 -1.61 -0.31 0.00 0.00 175.10 174.02 2ckj s GLU 291 N -1.51 0.20 -0.68 4.82 2.02 -0.05 -5.01 118.70 118.49 2ckj s GLU 291 Ca 0.18 0.53 -0.17 0.00 0.02 0.00 0.00 54.97 55.53 2ckj s GLU 291 Cb -0.11 -0.12 0.14 0.00 0.10 0.00 0.00 34.13 34.13 2ckj s GLU 291 CO 0.09 -0.17 0.74 -1.01 0.02 0.00 0.00 175.26 174.93 2ckj s HIS 292 N 1.28 3.23 1.04 1.61 3.76 -1.26 -0.47 115.29 124.48 2ckj s HIS 292 Ca -0.09 -1.30 -0.17 0.00 -0.15 0.00 0.00 55.06 53.34 2ckj s HIS 292 Cb -0.10 -3.97 0.23 0.00 1.11 0.00 0.00 32.58 29.84 2ckj s HIS 292 CO -0.08 -1.21 1.26 0.20 -0.85 0.00 0.00 174.74 174.06 2ckj s GLY 293 N 3.30 1.73 0.00 -2.22 0.00 -0.85 -4.96 107.32 104.32 2ckj s GLY 293 Ca 0.14 -1.15 0.23 0.00 0.00 0.00 0.00 44.72 43.94 2ckj s GLY 293 CO 0.00 -0.33 1.83 -1.05 0.00 0.00 0.00 173.10 173.55 2ckj n PRO 294 N -4.08 0.94 0.00 2.90 -0.02 -1.26 -3.91 135.00 129.58 2ckj n PRO 294 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 2ckj n PRO 294 Cb 0.59 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 2ckj n PRO 294 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2ckj n ASP 295 N -0.88 0.00 0.00 2.55 9.92 -1.26 -5.07 116.55 121.82 2ckj n ASP 295 Ca 0.17 -0.33 0.00 0.00 -0.53 0.00 0.00 54.79 54.10 2ckj n ASP 295 Cb 0.08 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.56 2ckj n ASP 295 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ckj n GLY 296 N 0.00 -0.86 3.52 0.44 0.00 -1.25 -2.80 105.19 104.24 2ckj n GLY 296 Ca 0.00 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.32 2ckj n GLY 296 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ckj s ILE 297 N -2.74 3.11 -0.10 -0.61 1.01 -0.37 -2.01 121.20 119.48 2ckj s ILE 297 Ca 0.00 -1.16 0.03 0.00 0.00 0.00 0.00 60.65 59.52 2ckj s ILE 297 Cb 0.00 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 40.11 2ckj s ILE 297 CO 0.00 0.27 -0.21 -0.55 0.00 0.00 0.00 174.94 174.45 2ckj s SER 298 N -1.70 2.82 -0.06 3.58 0.15 0.38 -1.62 113.70 117.24 2ckj s SER 298 Ca 0.17 -0.51 0.02 0.00 0.70 0.00 0.00 55.95 56.33 2ckj s SER 298 Cb -0.11 -1.29 0.01 0.00 -1.71 0.00 0.00 66.02 62.92 2ckj s SER 298 CO 0.08 0.12 -0.12 -0.36 1.20 0.00 0.00 173.24 174.16 2ckj s PHE 299 N 0.50 1.44 0.26 3.44 0.40 -0.27 -0.87 117.98 122.88 2ckj s PHE 299 Ca -0.16 -0.52 -0.30 0.00 -0.60 0.00 0.00 56.93 55.36 2ckj s PHE 299 Cb -0.17 -1.05 -0.09 0.00 0.51 0.00 0.00 43.02 42.21 2ckj s PHE 299 CO 0.06 -0.26 1.27 0.20 0.70 0.00 0.00 175.22 177.18 2ckj s GLY 300 N 0.62 2.76 0.62 4.36 0.00 0.14 -2.65 107.32 113.16 2ckj s GLY 300 Ca -0.14 1.12 0.27 0.00 0.00 0.00 0.00 44.72 45.97 2ckj s GLY 300 CO 0.04 1.91 1.77 0.00 0.00 0.00 0.00 173.10 176.81 2ckj h ALA 301 N 4.40 2.01 0.00 3.20 0.00 -1.11 0.51 119.26 128.27 2ckj h ALA 301 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2ckj h ALA 301 Cb 1.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2ckj h ALA 301 CO 0.71 -0.74 -0.91 0.00 0.00 0.00 0.00 179.25 178.31 2ckj n ALA 302 N -2.14 3.36 -1.67 0.00 0.00 0.19 -0.27 120.51 119.98 2ckj n ALA 302 Ca 0.06 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.69 2ckj n ALA 302 Cb 0.71 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.13 2ckj n ALA 302 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckj s PRO 304 N -1.45 4.35 0.32 0.00 0.02 -1.26 -2.44 135.00 134.54 2ckj s PRO 304 Ca 0.59 1.91 0.05 0.00 0.02 0.00 0.00 61.00 63.56 2ckj s PRO 304 Cb -0.62 -2.96 0.85 0.00 0.02 0.00 0.00 34.50 31.79 2ckj s PRO 304 CO 0.59 -0.08 1.57 -0.07 -0.33 0.00 0.00 177.00 178.68 2ckj h LEU 305 N 3.25 -0.36 -2.07 -5.54 3.38 -0.09 0.19 115.31 114.08 2ckj h LEU 305 Ca -0.48 0.28 0.08 0.00 0.09 0.00 0.00 57.88 57.85 2ckj h LEU 305 Cb 1.22 0.46 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 2ckj h LEU 305 CO 0.65 -0.37 0.24 0.77 0.09 0.00 0.00 178.44 179.81 2ckj h SER 306 N 0.01 0.00 0.36 -0.43 4.64 -0.84 0.44 113.55 117.74 2ckj h SER 306 Ca 0.64 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.71 2ckj h SER 306 Cb 1.39 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.44 2ckj h SER 306 CO -0.90 0.00 -1.85 2.30 -0.87 0.00 0.00 176.83 175.51 2ckj n ILE 307 N -4.23 1.27 -0.22 0.95 -5.35 0.66 -2.92 119.36 109.53 2ckj n ILE 307 Ca 0.04 -0.76 -0.01 0.00 -0.27 0.00 0.00 62.75 61.75 2ckj n ILE 307 Cb 0.40 -0.68 0.06 0.00 -1.74 0.00 0.00 39.64 37.67 2ckj n ILE 307 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 2ckj h VAL 308 N 0.00 0.32 0.44 7.28 2.07 -1.16 -1.02 116.25 124.18 2ckj h VAL 308 Ca -0.30 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 2ckj h VAL 308 Cb 1.86 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2ckj h VAL 308 CO 0.05 0.00 -0.26 -0.08 0.02 0.00 0.00 177.57 177.30 2ckj h GLU 309 N -0.03 -0.63 -0.03 1.57 4.81 -0.88 -1.70 114.58 117.68 2ckj h GLU 309 Ca 0.30 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.58 2ckj h GLU 309 Cb 0.49 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 2ckj h GLU 309 CO -0.67 -0.42 0.03 -0.22 -0.73 0.00 0.00 179.01 176.99 2ckj h LYS 310 N -0.66 0.00 0.00 1.92 3.64 -1.40 0.94 116.57 121.01 2ckj h LYS 310 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2ckj h LYS 310 Cb 0.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2ckj h LYS 310 CO 0.06 0.00 0.00 2.41 -2.27 0.00 0.00 179.45 179.65 2ckj n THR 311 N -4.35 0.00 -0.20 1.00 -1.04 -0.40 -3.59 114.28 105.70 2ckj n THR 311 Ca -0.02 0.68 0.06 0.00 -2.04 0.00 0.00 64.05 62.73 2ckj n THR 311 Cb 0.12 -1.37 0.13 0.00 -1.82 0.00 0.00 70.33 67.39 2ckj n THR 311 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2ckj n LEU 312 N -1.15 -0.14 -0.31 -4.42 4.32 -1.03 -1.76 117.00 112.51 2ckj n LEU 312 Ca 0.00 0.99 0.08 0.00 -0.02 0.00 0.00 56.01 57.07 2ckj n LEU 312 Cb 0.00 -0.33 0.24 0.00 -1.62 0.00 0.00 43.42 41.71 2ckj n LEU 312 CO 0.00 -0.98 1.12 0.58 -1.22 0.00 0.00 177.39 176.89 2ckj h VAL 313 N 0.00 0.72 0.01 4.08 2.07 -0.91 1.64 116.25 123.87 2ckj h VAL 313 Ca 0.32 -0.22 -0.36 0.00 0.82 0.00 0.00 66.70 67.25 2ckj h VAL 313 Cb 0.58 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 2ckj h VAL 313 CO -0.57 0.12 -2.00 -0.90 0.02 0.00 0.00 177.57 174.24 2ckj n ASP 314 N -4.85 1.94 0.29 0.57 3.85 -0.75 -3.86 116.55 113.73 2ckj n ASP 314 Ca 0.18 0.31 0.14 0.00 -0.71 0.00 0.00 54.79 54.71 2ckj n ASP 314 Cb 0.46 -0.84 0.67 0.00 -1.35 0.00 0.00 41.12 40.06 2ckj n ASP 314 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2ckj h ALA 315 N -0.59 1.58 -0.58 2.12 0.00 -1.17 0.73 119.26 121.35 2ckj h ALA 315 Ca -0.53 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 2ckj h ALA 315 Cb 1.58 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 2ckj h ALA 315 CO -0.26 -0.52 0.12 -0.24 0.00 0.00 0.00 179.25 178.36 2ckj h VAL 316 N 0.00 1.24 0.00 0.00 3.04 0.23 -3.30 116.25 117.46 2ckj h VAL 316 Ca 0.04 -0.89 0.00 0.00 -1.01 0.00 0.00 66.70 64.84 2ckj h VAL 316 Cb 1.00 0.66 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 2ckj h VAL 316 CO -0.00 0.33 -0.71 0.00 -1.01 0.00 0.00 177.57 176.18 2ckj n ALA 317 N -2.46 3.62 -1.39 3.17 0.00 0.24 -4.01 120.51 119.68 2ckj n ALA 317 Ca 0.04 -0.39 -0.26 0.00 0.00 0.00 0.00 53.44 52.83 2ckj n ALA 317 Cb 0.25 -1.04 0.12 0.00 0.00 0.00 0.00 19.45 18.78 2ckj n ALA 317 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2ckj n LYS 318 N -1.67 2.52 -3.60 0.00 4.76 -0.21 -5.01 118.16 114.95 2ckj n LYS 318 Ca 0.04 -3.28 -0.03 0.00 -2.87 0.00 0.00 58.31 52.18 2ckj n LYS 318 Cb 0.37 -2.19 -0.05 0.00 -1.84 0.00 0.00 35.03 31.32 2ckj n LYS 318 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2ckj s LEU 319 N -3.55 -0.84 -0.26 -0.35 0.20 -1.26 -5.02 118.68 107.61 2ckj s LEU 319 Ca 0.58 1.24 -0.12 0.00 0.69 0.00 0.00 54.13 56.53 2ckj s LEU 319 Cb 0.48 2.08 -0.07 0.00 -0.43 0.00 0.00 46.19 48.25 2ckj s LEU 319 CO 0.04 -0.18 0.79 -2.65 -0.29 0.00 0.00 176.35 174.05 2ckj n PRO 320 N 4.64 0.00 0.00 0.98 -0.02 -1.26 -4.66 135.00 134.68 2ckj n PRO 320 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2ckj n PRO 320 Cb 0.55 -0.48 0.00 0.00 -0.02 0.00 0.00 33.50 33.54 2ckj n PRO 320 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ckj n ALA 321 N 2.97 0.94 0.00 3.55 0.00 -1.26 -1.80 120.51 124.91 2ckj n ALA 321 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2ckj n ALA 321 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.76 2ckj n ALA 321 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2ckj n GLN 322 N 0.71 1.75 0.11 0.00 -0.06 -1.26 -4.65 117.38 113.98 2ckj n GLN 322 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 57.00 54.97 2ckj n GLN 322 Cb 0.00 -0.84 0.09 0.00 -4.06 0.00 0.00 30.24 25.43 2ckj n GLN 322 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 2ckj h LYS 323 N 0.00 0.04 -1.38 3.69 1.57 -1.48 -3.29 116.57 115.72 2ckj h LYS 323 Ca 0.00 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 2ckj h LYS 323 Cb 0.00 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2ckj h LYS 323 CO 0.00 0.74 0.06 0.25 -0.57 0.00 0.00 179.45 179.93 2ckj n THR 324 N -3.70 1.56 0.09 -0.16 -2.24 -1.26 -0.29 114.28 108.29 2ckj n THR 324 Ca -0.01 -0.37 -0.14 0.00 -2.27 0.00 0.00 64.05 61.26 2ckj n THR 324 Cb 0.70 -1.17 -0.11 0.00 -2.10 0.00 0.00 70.33 67.65 2ckj n THR 324 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2ckj h GLU 325 N 0.49 0.24 0.05 -0.78 4.39 -1.88 -3.25 114.58 113.85 2ckj h GLU 325 Ca 0.05 -0.37 -0.25 0.00 0.34 0.00 0.00 59.36 59.13 2ckj h GLU 325 Cb 1.08 0.13 0.01 0.00 -0.10 0.00 0.00 28.75 29.87 2ckj h GLU 325 CO 0.10 1.15 -1.07 0.28 -1.16 0.00 0.00 179.01 178.31 2ckj h VAL 326 N 0.08 1.42 0.31 3.13 2.07 -1.83 -3.26 116.25 118.18 2ckj h VAL 326 Ca -0.10 -2.65 -0.02 0.00 0.82 0.00 0.00 66.70 64.76 2ckj h VAL 326 Cb 1.85 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 34.24 2ckj h VAL 326 CO 0.18 0.79 -0.15 -0.26 0.02 0.00 0.00 177.57 178.15 2ckj h PHE 327 N 0.18 -0.39 -1.43 1.57 -1.00 -1.85 -2.28 116.94 111.73 2ckj h PHE 327 Ca -0.11 -0.01 0.42 0.00 2.81 0.00 0.00 57.97 61.08 2ckj h PHE 327 Cb 1.73 0.13 -0.07 0.00 3.61 0.00 0.00 35.95 41.35 2ckj h PHE 327 CO 0.07 -0.13 1.01 0.00 -1.61 0.00 0.00 178.31 177.64 2ckj h ARG 328 N -0.59 0.05 0.15 1.51 -0.00 -1.64 0.28 114.38 114.13 2ckj h ARG 328 Ca -0.04 -0.00 -0.27 0.00 -0.50 0.00 0.00 59.98 59.16 2ckj h ARG 328 Cb 0.43 -0.01 0.03 0.00 0.00 0.00 0.00 29.97 30.42 2ckj h ARG 328 CO 0.07 0.03 -1.16 0.78 0.00 0.00 0.00 179.97 179.69 2ckj h GLY 329 N 0.05 0.60 0.43 0.04 0.00 -1.53 -2.84 103.07 99.82 2ckj h GLY 329 Ca 0.72 -1.34 0.10 0.00 0.00 0.00 0.00 47.33 46.81 2ckj h GLY 329 CO -0.09 1.18 0.37 -2.08 0.00 0.00 0.00 176.54 175.92 2ckj h VAL 330 N 0.09 0.83 -0.81 4.60 2.07 0.07 -2.61 116.25 120.49 2ckj h VAL 330 Ca -0.19 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.15 2ckj h VAL 330 Cb 1.87 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 2ckj h VAL 330 CO 0.22 0.11 0.52 -0.07 0.02 0.00 0.00 177.57 178.38 2ckj h LEU 331 N 0.62 0.87 -2.57 2.57 4.07 -1.34 -2.32 115.31 117.21 2ckj h LEU 331 Ca 0.37 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.32 2ckj h LEU 331 Cb 0.41 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.95 2ckj h LEU 331 CO -0.28 0.60 0.14 -0.33 -1.08 0.00 0.00 178.44 177.50 2ckj h GLU 332 N 1.02 0.00 0.02 1.13 4.39 -1.21 0.11 114.58 120.04 2ckj h GLU 332 Ca 0.32 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.66 2ckj h GLU 332 Cb -0.01 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.58 2ckj h GLU 332 CO -0.11 0.00 -2.23 1.04 -1.16 0.00 0.00 179.01 176.55 2ckj n GLN 333 N -3.00 0.68 0.00 2.33 1.13 -0.94 -4.12 117.38 113.46 2ckj n GLN 333 Ca -0.03 0.13 0.11 0.00 -1.94 0.00 0.00 57.00 55.27 2ckj n GLN 333 Cb 0.20 -1.60 0.52 0.00 0.11 0.00 0.00 30.24 29.47 2ckj n GLN 333 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2ckj n LEU 334 N -3.04 0.00 0.02 1.08 4.77 0.28 -1.49 117.00 118.62 2ckj n LEU 334 Ca -0.33 0.44 -0.15 0.00 -0.03 0.00 0.00 56.01 55.94 2ckj n LEU 334 Cb 1.08 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 41.69 2ckj n LEU 334 CO 0.39 -0.10 0.26 0.08 -1.33 0.00 0.00 177.39 176.69 2ckj h ARG 335 N 0.00 0.62 -0.04 3.23 0.11 -1.47 -3.30 114.38 113.53 2ckj h ARG 335 Ca 0.00 -0.54 0.00 0.00 0.10 0.00 0.00 59.98 59.54 2ckj h ARG 335 Cb 0.34 0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.55 2ckj h ARG 335 CO 0.00 1.16 0.00 0.91 0.10 0.00 0.00 179.97 182.14 2ckj n TRP 336 N -3.87 0.02 -2.22 4.08 7.02 -0.85 -4.38 117.44 117.25 2ckj n TRP 336 Ca -0.07 -0.01 -0.32 0.00 -1.02 0.00 0.00 57.50 56.08 2ckj n TRP 336 Cb 0.76 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.61 2ckj n TRP 336 CO 0.00 0.00 0.00 0.12 -2.02 0.00 0.00 177.69 175.79 2ckj s PHE 337 N -1.98 2.11 0.00 -5.99 2.19 -0.55 -4.79 117.98 108.97 2ckj s PHE 337 Ca 0.34 0.02 0.00 0.00 0.33 0.00 0.00 56.93 57.61 2ckj s PHE 337 Cb 0.21 -4.25 0.00 0.00 -1.31 0.00 0.00 43.02 37.67 2ckj s PHE 337 CO 0.32 -1.63 0.00 0.00 1.83 0.00 0.00 175.22 175.74 2ckj n ALA 338 N 12.44 0.00 0.00 11.12 0.00 -1.26 -4.93 120.51 137.88 2ckj n ALA 338 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2ckj n ALA 338 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2ckj n ALA 338 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ckj n GLY 339 N -0.86 -0.16 0.22 0.00 0.00 -1.26 -4.53 105.19 98.60 2ckj n GLY 339 Ca 0.00 -1.49 0.15 0.00 0.00 0.00 0.00 46.02 44.68 2ckj n GLY 339 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ckj h LYS 340 N 0.00 0.00 -0.00 1.61 1.57 -1.86 -2.45 116.57 115.44 2ckj h LYS 340 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ckj h LYS 340 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2ckj h LYS 340 CO 0.00 0.00 -0.03 1.04 -0.57 0.00 0.00 179.45 179.89 2ckj n GLN 341 N -2.72 0.91 0.00 3.15 3.00 -1.26 -3.05 117.38 117.41 2ckj n GLN 341 Ca 0.01 -0.20 0.00 0.00 -0.01 0.00 0.00 57.00 56.80 2ckj n GLN 341 Cb 0.24 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.98 2ckj n GLN 341 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2ckj n VAL 342 N -0.87 0.00 0.22 5.09 0.31 -0.93 -3.85 118.33 118.31 2ckj n VAL 342 Ca 0.19 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.63 2ckj n VAL 342 Cb 0.21 -0.75 0.36 0.00 -0.91 0.00 0.00 33.84 32.75 2ckj n VAL 342 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2ckj h LYS 343 N 0.00 0.00 0.00 5.55 1.57 -1.63 -0.79 116.57 121.26 2ckj h LYS 343 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2ckj h LYS 343 Cb 0.90 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 2ckj h LYS 343 CO 0.00 0.13 -0.86 0.77 -0.57 0.00 0.00 179.45 178.92 2ckj h SER 344 N 0.00 0.00 0.00 0.86 0.02 -1.76 0.21 113.55 112.87 2ckj h SER 344 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2ckj h SER 344 Cb 0.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2ckj h SER 344 CO 0.02 0.04 -1.94 1.33 -1.14 0.00 0.00 176.83 175.14 2ckj n VAL 345 N -2.76 0.00 -2.77 2.27 0.24 -1.12 -4.87 118.33 109.32 2ckj n VAL 345 Ca 0.00 -0.47 -0.37 0.00 -2.04 0.00 0.00 64.34 61.46 2ckj n VAL 345 Cb 0.57 0.06 -0.06 0.00 -1.47 0.00 0.00 33.84 32.93 2ckj n VAL 345 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ckj s ALA 346 N -3.48 3.20 0.09 2.33 0.00 -0.32 -4.16 121.76 119.41 2ckj s ALA 346 Ca -0.07 0.53 -0.07 0.00 0.00 0.00 0.00 51.96 52.35 2ckj s ALA 346 Cb 0.14 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 2ckj s ALA 346 CO 0.90 0.15 0.36 -1.54 0.00 0.00 0.00 175.76 175.63 2ckj s SER 347 N -1.64 6.55 0.15 0.00 1.04 -1.26 0.33 113.70 118.88 2ckj s SER 347 Ca 0.51 0.67 -0.31 0.00 0.48 0.00 0.00 55.95 57.30 2ckj s SER 347 Cb -0.18 -2.13 -0.07 0.00 0.10 0.00 0.00 66.02 63.74 2ckj s SER 347 CO 0.23 0.15 1.55 -0.37 0.98 0.00 0.00 173.24 175.78 2ckj h VAL 348 N 2.61 0.01 0.00 5.02 -1.51 -1.66 -2.91 116.25 117.81 2ckj h VAL 348 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 2ckj h VAL 348 Cb 1.18 0.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.35 2ckj h VAL 348 CO 0.69 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.64 2ckj n GLY 349 N -1.33 0.00 0.29 5.19 0.00 0.63 0.17 105.19 110.14 2ckj n GLY 349 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 2ckj n GLY 349 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ckj h GLY 350 N 0.00 1.27 1.26 -0.02 0.00 -1.68 -3.17 103.07 100.74 2ckj h GLY 350 Ca 0.00 -0.15 -0.14 0.00 0.00 0.00 0.00 47.33 47.04 2ckj h GLY 350 CO 0.00 -0.15 -0.35 -0.57 0.00 0.00 0.00 176.54 175.47 2ckj h ASN 351 N 0.43 0.87 -0.14 0.19 -1.24 -0.24 0.53 115.58 115.98 2ckj h ASN 351 Ca 0.46 -0.37 -0.08 0.00 0.71 0.00 0.00 56.30 57.02 2ckj h ASN 351 Cb 0.77 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 39.57 2ckj h ASN 351 CO -0.45 1.13 -0.21 0.40 -1.29 0.00 0.00 177.43 177.01 2ckj h ILE 352 N 0.69 1.36 0.00 2.57 2.04 -1.43 -3.18 117.51 119.56 2ckj h ILE 352 Ca 0.07 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.49 2ckj h ILE 352 Cb 0.90 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 2ckj h ILE 352 CO 0.08 0.42 -0.16 -0.38 0.00 0.00 0.00 178.15 178.11 2ckj n ILE 353 N -4.49 0.25 0.00 -0.67 5.41 -1.15 -4.29 119.36 114.41 2ckj n ILE 353 Ca -0.06 -0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.55 2ckj n ILE 353 Cb 0.41 -0.36 0.00 0.00 -0.71 0.00 0.00 39.64 38.98 2ckj n ILE 353 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2ckj n THR 354 N -1.84 0.76 -2.02 1.39 5.66 0.17 -4.89 114.28 113.52 2ckj n THR 354 Ca 0.06 0.21 -0.39 0.00 -3.05 0.00 0.00 64.05 60.88 2ckj n THR 354 Cb 0.38 -1.21 -0.03 0.00 -1.55 0.00 0.00 70.33 67.93 2ckj n THR 354 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2ckj s ALA 355 N -2.34 2.17 0.54 1.79 0.00 -1.26 -4.96 121.76 117.70 2ckj s ALA 355 Ca 0.00 -0.60 -0.17 0.00 0.00 0.00 0.00 51.96 51.19 2ckj s ALA 355 Cb 0.00 -4.30 -0.06 0.00 0.00 0.00 0.00 23.12 18.76 2ckj s ALA 355 CO 0.00 -3.88 1.02 0.45 0.00 0.00 0.00 175.76 173.35 2ckj s SER 356 N 8.20 6.25 0.38 0.00 0.15 -1.26 -4.25 113.70 123.16 2ckj s SER 356 Ca 0.69 1.74 0.13 0.00 0.70 0.00 0.00 55.95 59.21 2ckj s SER 356 Cb -0.13 -2.53 0.95 0.00 -1.71 0.00 0.00 66.02 62.60 2ckj s SER 356 CO 0.21 -0.85 1.83 -0.65 1.20 0.00 0.00 173.24 174.99 2ckj h PRO 357 N 0.89 0.54 -0.63 5.44 0.11 -1.92 -3.14 132.00 133.29 2ckj h PRO 357 Ca -0.47 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 2ckj h PRO 357 Cb 1.20 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2ckj h PRO 357 CO 0.59 0.35 0.04 0.44 -0.21 0.00 0.00 178.00 179.22 2ckj n ILE 358 N -4.59 2.70 -2.41 4.15 -6.64 -1.26 -2.78 119.36 108.54 2ckj n ILE 358 Ca 0.20 -1.38 -0.37 0.00 -1.77 0.00 0.00 62.75 59.43 2ckj n ILE 358 Cb 0.63 -0.30 -0.03 0.00 -1.44 0.00 0.00 39.64 38.50 2ckj n ILE 358 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 2ckj s SER 359 N -0.78 6.55 0.00 7.28 0.15 -1.19 -4.74 113.70 120.98 2ckj s SER 359 Ca 0.53 2.18 0.18 0.00 0.70 0.00 0.00 55.95 59.54 2ckj s SER 359 Cb 0.41 -2.60 -0.08 0.00 -1.71 0.00 0.00 66.02 62.03 2ckj s SER 359 CO 0.15 -0.65 0.84 0.47 1.20 0.00 0.00 173.24 175.26 2ckj n ASP 360 N -0.13 1.35 0.06 5.45 8.00 -1.26 -4.27 116.55 125.75 2ckj n ASP 360 Ca 0.05 -1.18 -0.20 0.00 0.71 0.00 0.00 54.79 54.17 2ckj n ASP 360 Cb 0.48 0.70 -0.14 0.00 -0.02 0.00 0.00 41.12 42.14 2ckj n ASP 360 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2ckj h LEU 361 N 1.14 0.52 0.54 0.64 3.38 -1.96 -3.41 115.31 116.17 2ckj h LEU 361 Ca 0.00 -0.94 -0.02 0.00 0.09 0.00 0.00 57.88 57.01 2ckj h LEU 361 Cb 0.52 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2ckj h LEU 361 CO 0.00 1.42 -0.32 0.78 0.09 0.00 0.00 178.44 180.41 2ckj h ASN 362 N -0.29 -0.79 -0.67 -0.43 2.35 -1.92 0.96 115.58 114.79 2ckj h ASN 362 Ca -0.15 0.04 0.25 0.00 -0.55 0.00 0.00 56.30 55.89 2ckj h ASN 362 Cb 1.68 0.23 -0.12 0.00 0.05 0.00 0.00 38.32 40.15 2ckj h ASN 362 CO 0.17 -0.51 0.25 -2.65 -1.65 0.00 0.00 177.43 173.04 2ckj n PRO 363 N -5.46 -0.04 0.01 0.81 -0.02 -1.26 -0.22 135.00 128.82 2ckj n PRO 363 Ca -0.12 0.95 -0.20 0.00 -2.02 0.00 0.00 63.50 62.11 2ckj n PRO 363 Cb 0.35 -1.64 -0.14 0.00 -0.02 0.00 0.00 33.50 32.05 2ckj n PRO 363 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2ckj h VAL 364 N 0.00 1.31 -0.29 -1.45 2.07 -1.17 -1.48 116.25 115.24 2ckj h VAL 364 Ca 0.52 -2.44 0.04 0.00 0.82 0.00 0.00 66.70 65.63 2ckj h VAL 364 Cb 1.29 2.97 -0.06 0.00 -1.52 0.00 0.00 31.29 33.96 2ckj h VAL 364 CO -0.55 0.67 -0.46 -0.26 0.02 0.00 0.00 177.57 177.00 2ckj h PHE 365 N -0.45 -1.39 -0.60 1.57 0.05 -0.60 0.44 116.94 115.96 2ckj h PHE 365 Ca -0.21 0.06 0.10 0.00 3.82 0.00 0.00 57.97 61.75 2ckj h PHE 365 Cb 1.60 0.64 -0.07 0.00 2.00 0.00 0.00 35.95 40.12 2ckj h PHE 365 CO 0.17 -0.41 0.21 1.98 -0.18 0.00 0.00 178.31 180.07 2ckj h MET 366 N -0.36 0.36 -0.41 1.51 4.05 -0.70 -2.19 114.93 117.19 2ckj h MET 366 Ca 0.05 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.37 2ckj h MET 366 Cb 0.50 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.20 2ckj h MET 366 CO -0.46 0.24 -0.05 0.00 0.23 0.00 0.00 176.91 176.86 2ckj h ALA 367 N 1.43 1.13 0.00 0.39 0.00 -1.24 -2.64 119.26 118.32 2ckj h ALA 367 Ca 0.31 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2ckj h ALA 367 Cb 0.39 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2ckj h ALA 367 CO -0.32 0.55 0.00 1.03 0.00 0.00 0.00 179.25 180.51 2ckj h SER 368 N 0.65 0.00 -5.98 0.00 0.87 -0.31 -3.44 113.55 105.34 2ckj h SER 368 Ca 0.12 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2ckj h SER 368 Cb 0.49 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2ckj h SER 368 CO 0.03 0.00 -0.14 0.61 -0.53 0.00 0.00 176.83 176.79 2ckj n GLY 369 N -0.93 -0.47 3.14 5.77 0.00 -0.95 -4.93 105.19 106.82 2ckj n GLY 369 Ca -0.02 0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 2ckj n GLY 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ckj n ALA 370 N 2.45 0.96 -3.73 4.61 0.00 -0.91 -4.83 120.51 119.06 2ckj n ALA 370 Ca -0.04 -1.70 -0.30 0.00 0.00 0.00 0.00 53.44 51.40 2ckj n ALA 370 Cb 0.06 0.49 -0.15 0.00 0.00 0.00 0.00 19.45 19.85 2ckj n ALA 370 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2ckj s LYS 371 N -4.08 0.70 0.29 0.00 2.20 -0.88 -1.08 119.74 116.88 2ckj s LYS 371 Ca 0.46 -1.02 -0.10 0.00 -0.36 0.00 0.00 55.97 54.94 2ckj s LYS 371 Cb -0.04 -1.97 -0.07 0.00 -1.51 0.00 0.00 37.83 34.24 2ckj s LYS 371 CO 0.29 -0.97 0.63 -0.51 -0.36 0.00 0.00 175.35 174.43 2ckj s LEU 372 N 1.64 4.08 -0.37 5.43 1.43 0.00 -1.95 118.68 128.95 2ckj s LEU 372 Ca 0.09 1.01 0.01 0.00 -1.03 0.00 0.00 54.13 54.22 2ckj s LEU 372 Cb -0.17 -3.81 0.11 0.00 0.03 0.00 0.00 46.19 42.35 2ckj s LEU 372 CO -0.25 -0.17 0.13 -0.89 0.23 0.00 0.00 176.35 175.41 2ckj s THR 373 N -1.98 1.48 -0.03 5.49 2.01 -0.69 -2.76 115.64 119.16 2ckj s THR 373 Ca 0.49 -2.07 -0.10 0.00 0.31 0.00 0.00 61.69 60.32 2ckj s THR 373 Cb -0.11 -2.08 -0.05 0.00 0.01 0.00 0.00 72.50 70.27 2ckj s THR 373 CO 0.23 -0.72 0.29 -0.76 -0.69 0.00 0.00 174.62 172.96 2ckj s LEU 374 N 0.97 4.41 0.14 4.42 1.43 -1.23 -2.41 118.68 126.42 2ckj s LEU 374 Ca 0.13 0.70 0.04 0.00 -1.03 0.00 0.00 54.13 53.97 2ckj s LEU 374 Cb -0.20 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 2ckj s LEU 374 CO -0.12 0.33 -0.10 0.68 0.23 0.00 0.00 176.35 177.36 2ckj s VAL 375 N -1.14 1.13 0.27 -1.59 -7.23 -0.74 -3.28 120.40 107.84 2ckj s VAL 375 Ca 0.22 -1.98 -0.03 0.00 -1.81 0.00 0.00 61.98 58.38 2ckj s VAL 375 Cb -0.14 -1.76 0.01 0.00 0.56 0.00 0.00 36.38 35.05 2ckj s VAL 375 CO 0.11 -0.71 0.41 -0.24 -0.31 0.00 0.00 175.10 174.36 2ckj n SER 376 N -0.05 -1.14 -4.60 4.85 2.88 -1.16 -2.02 113.62 112.37 2ckj n SER 376 Ca -0.11 -2.43 -0.43 0.00 -1.33 0.00 0.00 58.87 54.56 2ckj n SER 376 Cb 0.60 2.08 -0.02 0.00 -0.75 0.00 0.00 64.21 66.12 2ckj n SER 376 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ckj s ARG 377 N -2.55 3.78 -0.33 -1.46 1.70 -1.26 -0.88 118.95 117.95 2ckj s ARG 377 Ca 0.21 0.63 -0.01 0.00 -0.47 0.00 0.00 55.73 56.08 2ckj s ARG 377 Cb -0.01 -3.87 0.00 0.00 -0.57 0.00 0.00 34.95 30.50 2ckj s ARG 377 CO 0.15 -1.26 0.19 0.41 -1.08 0.00 0.00 175.30 173.71 2ckj n GLY 378 N 4.65 0.50 3.07 3.88 0.00 -1.26 -5.09 105.19 110.95 2ckj n GLY 378 Ca 0.11 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 2ckj n GLY 378 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ckj s THR 379 N -2.84 0.04 -0.37 2.61 -4.23 -0.05 -5.07 115.64 105.74 2ckj s THR 379 Ca 0.09 -0.37 0.13 0.00 -1.18 0.00 0.00 61.69 60.36 2ckj s THR 379 Cb -0.04 -0.33 0.41 0.00 1.34 0.00 0.00 72.50 73.88 2ckj s THR 379 CO 0.12 -0.20 1.12 -1.14 -0.54 0.00 0.00 174.62 173.98 2ckj n ARG 380 N 2.19 1.15 -1.00 3.99 3.00 -1.26 -3.01 116.66 121.72 2ckj n ARG 380 Ca -0.18 -2.56 -0.35 0.00 -0.00 0.00 0.00 57.85 54.76 2ckj n ARG 380 Cb 0.57 -0.74 0.07 0.00 0.00 0.00 0.00 32.46 32.36 2ckj n ARG 380 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2ckj n ARG 381 N -0.25 -0.05 -3.32 -0.14 5.12 -1.20 -4.93 116.66 111.89 2ckj n ARG 381 Ca 0.05 0.01 -0.21 0.00 -1.93 0.00 0.00 57.85 55.77 2ckj n ARG 381 Cb 0.82 -1.43 -0.08 0.00 -1.16 0.00 0.00 32.46 30.61 2ckj n ARG 381 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2ckj s THR 382 N -2.12 -0.11 -0.04 0.55 2.01 -1.26 -3.52 115.64 111.16 2ckj s THR 382 Ca 0.51 -1.64 -0.16 0.00 0.31 0.00 0.00 61.69 60.71 2ckj s THR 382 Cb -0.25 -0.86 -0.05 0.00 0.01 0.00 0.00 72.50 71.35 2ckj s THR 382 CO 0.72 -0.80 0.45 0.54 -0.69 0.00 0.00 174.62 174.84 2ckj s VAL 383 N 0.87 5.05 0.20 3.82 0.11 -1.11 -4.92 120.40 124.42 2ckj s VAL 383 Ca 0.23 0.92 -0.29 0.00 -2.93 0.00 0.00 61.98 59.91 2ckj s VAL 383 Cb -0.09 -3.77 -0.08 0.00 -1.53 0.00 0.00 36.38 30.90 2ckj s VAL 383 CO -0.07 0.48 0.90 -1.58 -3.33 0.00 0.00 175.10 171.50 2ckj s GLN 384 N -0.45 4.76 0.05 1.54 0.74 -1.26 -0.82 119.66 124.23 2ckj s GLN 384 Ca 0.25 1.40 -0.31 0.00 0.05 0.00 0.00 55.36 56.75 2ckj s GLN 384 Cb -0.16 -3.29 -0.06 0.00 1.10 0.00 0.00 33.01 30.60 2ckj s GLN 384 CO 0.13 0.48 1.22 1.41 -0.55 0.00 0.00 175.29 177.97 2ckj s MET 385 N -0.96 4.41 0.28 1.67 -2.45 -0.24 -4.94 119.30 117.08 2ckj s MET 385 Ca 0.41 1.79 -0.16 0.00 -1.25 0.00 0.00 55.69 56.48 2ckj s MET 385 Cb -0.25 -3.36 0.01 0.00 1.25 0.00 0.00 34.83 32.48 2ckj s MET 385 CO 0.30 -0.30 0.61 0.16 1.05 0.00 0.00 175.02 176.85 2ckj s ASP 386 N 1.12 -0.09 0.36 1.11 -4.77 -1.26 -4.37 116.67 108.78 2ckj s ASP 386 Ca 0.59 -0.86 0.08 0.00 -3.30 0.00 0.00 52.55 49.06 2ckj s ASP 386 Cb -0.30 0.68 0.43 0.00 -1.09 0.00 0.00 42.92 42.65 2ckj s ASP 386 CO 0.29 -1.30 1.09 1.12 0.70 0.00 0.00 175.17 177.07 2ckj h HIS 387 N 2.11 0.00 0.00 2.11 2.07 -1.92 0.78 115.15 120.30 2ckj h HIS 387 Ca -0.24 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.26 2ckj h HIS 387 Cb 1.25 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.23 2ckj h HIS 387 CO 0.59 0.00 -0.11 0.00 -3.07 0.00 0.00 177.93 175.34 2ckj h THR 388 N 0.00 0.20 -0.67 6.12 1.03 -1.96 -3.34 112.91 114.28 2ckj h THR 388 Ca 0.00 -1.21 -0.05 0.00 -0.01 0.00 0.00 66.41 65.14 2ckj h THR 388 Cb 1.04 2.04 -0.03 0.00 -1.07 0.00 0.00 68.15 70.13 2ckj h THR 388 CO 0.00 0.11 0.24 0.15 -0.01 0.00 0.00 175.52 176.01 2ckj h PHE 389 N 0.00 1.06 -3.51 0.00 3.57 -1.21 -3.37 116.94 113.48 2ckj h PHE 389 Ca -0.00 -0.09 -0.70 0.00 3.53 0.00 0.00 57.97 60.71 2ckj h PHE 389 Cb 1.03 -0.31 -0.32 0.00 2.79 0.00 0.00 35.95 39.13 2ckj h PHE 389 CO 0.00 0.84 -0.54 -0.06 -2.23 0.00 0.00 178.31 176.31 2ckj s PHE 390 N -5.48 3.47 0.16 0.41 0.40 -1.26 -3.26 117.98 112.43 2ckj s PHE 390 Ca -0.13 -2.10 -0.11 0.00 -0.60 0.00 0.00 56.93 54.00 2ckj s PHE 390 Cb 0.14 -3.01 0.02 0.00 0.51 0.00 0.00 43.02 40.68 2ckj s PHE 390 CO 0.82 -0.92 1.58 -1.00 0.70 0.00 0.00 175.22 176.40 2ckj h PRO 391 N 8.15 0.97 0.00 0.24 0.13 -1.74 -3.46 132.00 136.29 2ckj h PRO 391 Ca -0.17 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2ckj h PRO 391 Cb 1.06 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2ckj h PRO 391 CO 0.70 1.03 0.00 0.41 -0.23 0.00 0.00 178.00 179.90 2ckj n GLY 392 N -0.27 2.92 3.55 1.56 0.00 -1.26 -5.07 105.19 106.62 2ckj n GLY 392 Ca 0.01 -1.24 -0.44 0.00 0.00 0.00 0.00 46.02 44.35 2ckj n GLY 392 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2ckj n TYR 393 N 0.00 1.74 -3.71 1.61 9.36 -1.26 -2.34 117.16 122.55 2ckj n TYR 393 Ca 0.00 0.03 -0.23 0.00 3.32 0.00 0.00 57.90 61.02 2ckj n TYR 393 Cb 0.00 -2.65 0.04 0.00 -0.63 0.00 0.00 39.34 36.10 2ckj n TYR 393 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2ckj n ARG 394 N 8.65 -5.55 -4.22 2.98 1.74 -1.26 -5.01 116.66 114.00 2ckj n ARG 394 Ca 0.35 0.66 -0.16 0.00 -0.77 0.00 0.00 57.85 57.93 2ckj n ARG 394 Cb 0.40 -5.40 -0.11 0.00 -1.02 0.00 0.00 32.46 26.32 2ckj n ARG 394 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2ckj s LYS 395 N -6.09 0.96 0.00 5.56 1.02 -0.99 -4.72 119.74 115.48 2ckj s LYS 395 Ca 0.22 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 54.99 2ckj s LYS 395 Cb -0.11 -0.76 0.00 0.00 -0.52 0.00 0.00 37.83 36.45 2ckj s LYS 395 CO 0.80 0.14 0.00 0.25 -0.92 0.00 0.00 175.35 175.61 2ckj n THR 396 N 0.51 0.00 0.08 2.17 -2.24 -1.26 -4.26 114.28 109.28 2ckj n THR 396 Ca -0.15 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.60 2ckj n THR 396 Cb 0.57 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.75 2ckj n THR 396 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2ckj h LEU 397 N 0.00 0.00 -7.86 3.22 3.38 -1.89 -3.46 115.31 108.70 2ckj h LEU 397 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 2ckj h LEU 397 Cb 0.00 0.00 0.11 0.00 0.09 0.00 0.00 40.66 40.86 2ckj h LEU 397 CO 0.00 0.74 -0.60 0.18 0.09 0.00 0.00 178.44 178.85 2ckj n LEU 398 N -3.22 -1.61 -4.96 1.67 7.99 -1.26 -5.00 117.00 110.61 2ckj n LEU 398 Ca -0.02 0.89 -0.22 0.00 -0.01 0.00 0.00 56.01 56.65 2ckj n LEU 398 Cb 0.85 -0.81 0.02 0.00 -0.11 0.00 0.00 43.42 43.37 2ckj n LEU 398 CO 0.44 -3.00 0.28 -0.94 -1.51 0.00 0.00 177.39 172.66 2ckj s SER 399 N -0.87 5.71 0.63 -1.43 1.04 -1.26 -4.97 113.70 112.54 2ckj s SER 399 Ca 0.54 0.16 0.28 0.00 0.48 0.00 0.00 55.95 57.41 2ckj s SER 399 Cb -0.72 -1.33 1.51 0.00 0.10 0.00 0.00 66.02 65.58 2ckj s SER 399 CO 0.51 -0.78 1.89 -0.65 0.98 0.00 0.00 173.24 175.19 2ckj h PRO 400 N 0.37 0.00 -0.01 4.02 0.11 -1.94 -1.10 132.00 133.45 2ckj h PRO 400 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2ckj h PRO 400 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2ckj h PRO 400 CO 0.55 0.00 -0.56 0.39 -0.21 0.00 0.00 178.00 178.17 2ckj n GLU 401 N -3.29 0.75 -3.34 1.05 4.71 -1.26 -4.72 120.64 114.55 2ckj n GLU 401 Ca 0.03 -0.58 -0.34 0.00 -0.01 0.00 0.00 57.16 56.25 2ckj n GLU 401 Cb 0.53 -1.49 -0.06 0.00 -1.01 0.00 0.00 31.44 29.42 2ckj n GLU 401 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2ckj s GLU 402 N -2.65 3.96 0.13 3.49 2.02 -0.42 -4.62 118.70 120.60 2ckj s GLU 402 Ca 0.16 0.48 0.05 0.00 0.02 0.00 0.00 54.97 55.69 2ckj s GLU 402 Cb 0.18 -2.82 -0.04 0.00 0.10 0.00 0.00 34.13 31.55 2ckj s GLU 402 CO 0.64 0.41 -0.12 0.96 0.02 0.00 0.00 175.26 177.17 2ckj s ILE 403 N -1.59 1.23 -0.29 -1.63 -4.36 -0.86 -4.75 121.20 108.95 2ckj s ILE 403 Ca 0.42 -1.82 -0.18 0.00 -0.26 0.00 0.00 60.65 58.80 2ckj s ILE 403 Cb -0.14 -1.61 -0.02 0.00 1.25 0.00 0.00 42.46 41.95 2ckj s ILE 403 CO 0.20 -0.54 0.54 -0.22 0.24 0.00 0.00 174.94 175.15 2ckj s LEU 404 N -2.69 4.14 -0.08 0.37 2.96 -1.26 -1.79 118.68 120.32 2ckj s LEU 404 Ca 0.11 0.37 -0.08 0.00 -0.22 0.00 0.00 54.13 54.31 2ckj s LEU 404 Cb -0.02 -2.68 -0.06 0.00 0.50 0.00 0.00 46.19 43.93 2ckj s LEU 404 CO 0.02 -0.38 0.32 0.25 -1.32 0.00 0.00 176.35 175.24 2ckj h LEU 405 N 8.94 -0.14 -7.00 -0.68 5.85 -1.83 -3.43 115.31 117.02 2ckj h LEU 405 Ca -0.28 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 2ckj h LEU 405 Cb 1.13 0.04 -0.21 0.00 0.37 0.00 0.00 40.66 41.99 2ckj h LEU 405 CO 0.75 0.38 0.23 -0.94 -0.34 0.00 0.00 178.44 178.52 2ckj s SER 406 N -5.42 -0.64 -0.01 1.25 1.04 -1.22 -1.18 113.70 107.51 2ckj s SER 406 Ca -0.05 0.91 -0.06 0.00 0.48 0.00 0.00 55.95 57.23 2ckj s SER 406 Cb 0.00 0.81 -0.04 0.00 0.10 0.00 0.00 66.02 66.88 2ckj s SER 406 CO 0.17 -0.44 0.23 -0.51 0.98 0.00 0.00 173.24 173.66 2ckj s ILE 407 N -0.62 5.36 -0.16 -1.02 1.10 -1.09 -1.71 121.20 123.07 2ckj s ILE 407 Ca -0.06 0.08 0.00 0.00 -0.51 0.00 0.00 60.65 60.17 2ckj s ILE 407 Cb -0.02 -3.54 0.03 0.00 0.15 0.00 0.00 42.46 39.08 2ckj s ILE 407 CO 0.05 0.38 -0.12 -0.70 -2.11 0.00 0.00 174.94 172.44 2ckj s GLU 408 N -1.72 2.12 -0.18 3.50 2.12 -0.82 -1.11 118.70 122.60 2ckj s GLU 408 Ca 0.26 -0.59 -0.19 0.00 0.36 0.00 0.00 54.97 54.81 2ckj s GLU 408 Cb -0.13 -2.12 -0.03 0.00 0.26 0.00 0.00 34.13 32.11 2ckj s GLU 408 CO 0.15 -0.29 0.55 0.42 -0.54 0.00 0.00 175.26 175.55 2ckj s ILE 409 N 1.50 5.10 0.18 -3.70 1.01 -0.64 -2.08 121.20 122.56 2ckj s ILE 409 Ca 0.03 1.03 -0.20 0.00 0.00 0.00 0.00 60.65 61.52 2ckj s ILE 409 Cb -0.14 -3.87 -0.08 0.00 0.01 0.00 0.00 42.46 38.38 2ckj s ILE 409 CO -0.10 0.19 0.69 -2.16 0.00 0.00 0.00 174.94 173.56 2ckj s PRO 410 N 1.48 4.26 0.87 2.79 0.04 -1.26 -1.23 135.00 141.95 2ckj s PRO 410 Ca 0.26 0.85 -0.10 0.00 0.04 0.00 0.00 61.00 62.05 2ckj s PRO 410 Cb -0.16 -2.99 0.12 0.00 0.04 0.00 0.00 34.50 31.51 2ckj s PRO 410 CO 0.10 0.47 1.13 0.71 0.04 0.00 0.00 177.00 179.45 2ckj s TYR 411 N -1.40 1.89 -0.15 0.56 1.51 -1.12 -4.67 117.35 113.97 2ckj s TYR 411 Ca 0.39 1.73 -0.08 0.00 -1.01 0.00 0.00 57.07 58.10 2ckj s TYR 411 Cb -0.18 -3.27 -0.04 0.00 -0.11 0.00 0.00 41.96 38.36 2ckj s TYR 411 CO 0.21 -2.53 0.13 0.45 -1.11 0.00 0.00 175.55 172.70 2ckj s SER 412 N -2.86 6.23 0.84 2.29 0.15 0.60 -4.95 113.70 116.01 2ckj s SER 412 Ca 0.65 0.35 -0.12 0.00 0.70 0.00 0.00 55.95 57.54 2ckj s SER 412 Cb -0.21 -2.05 0.10 0.00 -1.71 0.00 0.00 66.02 62.15 2ckj s SER 412 CO 0.57 0.32 1.12 -0.13 1.20 0.00 0.00 173.24 176.32 2ckj s ARG 413 N -0.46 1.72 -0.27 5.44 0.52 -1.26 -3.96 118.95 120.69 2ckj s ARG 413 Ca 0.12 0.43 -0.28 0.00 -0.52 0.00 0.00 55.73 55.47 2ckj s ARG 413 Cb -0.12 -1.89 -0.03 0.00 0.52 0.00 0.00 34.95 33.43 2ckj s ARG 413 CO 0.02 -1.82 1.86 -1.21 0.02 0.00 0.00 175.30 174.17 2ckj s GLU 414 N -5.26 3.42 -0.77 3.54 0.41 -1.26 -2.27 118.70 116.51 2ckj s GLU 414 Ca 0.62 1.66 -0.03 0.00 -0.41 0.00 0.00 54.97 56.81 2ckj s GLU 414 Cb -0.14 -4.20 0.00 0.00 -1.78 0.00 0.00 34.13 28.01 2ckj s GLU 414 CO 0.53 -1.76 0.66 0.41 -0.49 0.00 0.00 175.26 174.61 2ckj n GLY 415 N 5.32 0.01 3.33 -1.39 0.00 -1.26 -4.96 105.19 106.25 2ckj n GLY 415 Ca 0.23 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2ckj n GLY 415 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ckj s GLU 416 N -5.32 2.98 0.02 1.61 2.12 -0.96 -2.82 118.70 116.32 2ckj s GLU 416 Ca 0.18 -0.78 0.03 0.00 0.36 0.00 0.00 54.97 54.76 2ckj s GLU 416 Cb -0.08 -2.41 -0.01 0.00 0.26 0.00 0.00 34.13 31.88 2ckj s GLU 416 CO 0.44 0.31 -0.09 0.71 -0.54 0.00 0.00 175.26 176.09 2ckj s TYR 417 N 0.06 0.80 -0.07 5.30 4.12 -0.24 -4.87 117.35 122.45 2ckj s TYR 417 Ca -0.07 -0.27 -0.04 0.00 0.02 0.00 0.00 57.07 56.71 2ckj s TYR 417 Cb -0.15 -0.49 0.04 0.00 -1.52 0.00 0.00 41.96 39.83 2ckj s TYR 417 CO 0.05 -0.02 0.17 0.12 0.02 0.00 0.00 175.55 175.90 2ckj s PHE 418 N -0.61 -0.21 0.24 2.71 5.99 -1.26 -1.25 117.98 123.59 2ckj s PHE 418 Ca -0.00 0.54 0.02 0.00 0.00 0.00 0.00 56.93 57.49 2ckj s PHE 418 Cb -0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 43.02 42.89 2ckj s PHE 418 CO 0.00 -0.16 0.05 -1.12 -0.00 0.00 0.00 175.22 173.99 2ckj s SER 419 N 0.94 1.46 0.02 6.13 0.01 -0.51 -4.88 113.70 116.86 2ckj s SER 419 Ca -0.07 -1.31 0.04 0.00 1.31 0.00 0.00 55.95 55.92 2ckj s SER 419 Cb -0.09 0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.22 2ckj s SER 419 CO -0.05 -0.64 -0.14 0.00 0.41 0.00 0.00 173.24 172.82 2ckj s ALA 420 N -3.62 1.13 0.02 1.44 0.00 -1.26 -1.71 121.76 117.77 2ckj s ALA 420 Ca 0.33 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.61 2ckj s ALA 420 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 2ckj s ALA 420 CO 0.11 0.24 -0.08 -0.06 0.00 0.00 0.00 175.76 175.97 2ckj s PHE 421 N -0.60 0.69 -0.01 0.00 0.40 -0.29 -4.99 117.98 113.17 2ckj s PHE 421 Ca 0.03 -0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.07 2ckj s PHE 421 Cb -0.07 -0.42 0.01 0.00 0.51 0.00 0.00 43.02 43.06 2ckj s PHE 421 CO 0.00 -0.03 0.00 0.21 0.70 0.00 0.00 175.22 176.10 2ckj s LYS 422 N -0.87 0.13 -0.05 0.44 2.20 -1.26 -0.39 119.74 119.93 2ckj s LYS 422 Ca -0.03 0.04 -0.02 0.00 -0.36 0.00 0.00 55.97 55.61 2ckj s LYS 422 Cb -0.06 -0.25 0.04 0.00 -1.51 0.00 0.00 37.83 36.04 2ckj s LYS 422 CO 0.00 -0.07 0.10 -1.14 -0.36 0.00 0.00 175.35 173.88 2ckj s GLN 423 N 0.54 -0.01 0.00 4.03 2.00 -0.81 -5.02 119.66 120.39 2ckj s GLN 423 Ca -0.05 0.38 0.00 0.00 -2.00 0.00 0.00 55.36 53.69 2ckj s GLN 423 Cb -0.07 -0.32 0.00 0.00 0.80 0.00 0.00 33.01 33.42 2ckj s GLN 423 CO -0.01 -0.25 0.00 0.00 -0.50 0.00 0.00 175.29 174.52 2ckj n ALA 424 N 4.83 0.00 -2.61 1.58 0.00 -1.22 -3.83 120.51 119.26 2ckj n ALA 424 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.29 2ckj n ALA 424 Cb 0.50 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.04 2ckj n ALA 424 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ckj n SER 425 N 0.00 -1.03 0.00 0.00 3.41 -1.26 -4.81 113.62 109.92 2ckj n SER 425 Ca 0.00 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 56.76 2ckj n SER 425 Cb 0.00 0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 2ckj n SER 425 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2ckj n ARG 426 N -1.08 0.00 0.14 4.33 0.00 -1.26 -4.83 116.66 113.96 2ckj n ARG 426 Ca -0.13 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.84 2ckj n ARG 426 Cb 0.76 0.00 0.51 0.00 0.00 0.00 0.00 32.46 33.73 2ckj n ARG 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ckj h ARG 427 N 0.00 0.00 -2.09 -0.14 3.08 -1.97 -3.53 114.38 109.74 2ckj h ARG 427 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 2ckj h ARG 427 Cb 0.00 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.65 2ckj h ARG 427 CO 0.00 0.00 -0.96 -0.85 -1.07 0.00 0.00 179.97 177.09 2ckj n GLU 428 N -2.30 1.57 0.00 0.04 0.00 -1.26 -4.91 120.64 113.78 2ckj n GLU 428 Ca 0.02 -3.82 0.00 0.00 0.00 0.00 0.00 57.16 53.35 2ckj n GLU 428 Cb 0.23 -1.73 0.00 0.00 0.00 0.00 0.00 31.44 29.93 2ckj n GLU 428 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2ckj n ALA 432 N 0.68 2.25 -0.20 -1.84 0.00 -1.26 -4.59 120.51 115.54 2ckj n ALA 432 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2ckj n ALA 432 Cb 0.52 0.43 0.00 0.00 0.00 0.00 0.00 19.45 20.41 2ckj n ALA 432 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2ckj n LYS 433 N -2.51 0.00 -5.14 0.00 5.02 -1.26 -3.42 118.16 110.85 2ckj n LYS 433 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 2ckj n LYS 433 Cb 0.43 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 35.28 2ckj n LYS 433 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2ckj s VAL 434 N 0.00 1.87 -0.04 -0.18 1.01 -1.25 -3.99 120.40 117.82 2ckj s VAL 434 Ca 0.00 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 2ckj s VAL 434 Cb 0.00 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.80 2ckj s VAL 434 CO 0.00 0.52 0.17 0.28 0.00 0.00 0.00 175.10 176.07 2ckj s THR 435 N -0.08 0.03 -0.10 3.92 -1.32 -1.02 -1.92 115.64 115.15 2ckj s THR 435 Ca -0.04 -0.25 -0.11 0.00 -1.21 0.00 0.00 61.69 60.07 2ckj s THR 435 Cb -0.13 -0.33 0.03 0.00 -1.51 0.00 0.00 72.50 70.55 2ckj s THR 435 CO 0.03 -0.14 0.30 -0.55 -2.21 0.00 0.00 174.62 172.06 2ckj s SER 436 N -0.45 -0.29 -0.16 8.08 0.15 0.47 0.83 113.70 122.34 2ckj s SER 436 Ca -0.05 0.51 -0.01 0.00 0.70 0.00 0.00 55.95 57.09 2ckj s SER 436 Cb -0.04 0.56 -0.01 0.00 -1.71 0.00 0.00 66.02 64.83 2ckj s SER 436 CO 0.01 -0.17 -0.11 -0.83 1.20 0.00 0.00 173.24 173.34 2ckj s GLY 437 N -0.11 1.54 -0.08 9.45 0.00 -0.97 -1.14 107.32 116.01 2ckj s GLY 437 Ca -0.03 -1.01 0.04 0.00 0.00 0.00 0.00 44.72 43.73 2ckj s GLY 437 CO 0.01 0.04 -0.21 1.06 0.00 0.00 0.00 173.10 174.00 2ckj s MET 438 N 0.78 2.58 -0.05 2.90 -1.94 -0.69 -0.92 119.30 121.96 2ckj s MET 438 Ca -0.04 -0.77 0.01 0.00 -1.71 0.00 0.00 55.69 53.18 2ckj s MET 438 Cb -0.15 -2.03 0.02 0.00 2.01 0.00 0.00 34.83 34.68 2ckj s MET 438 CO 0.01 0.19 -0.04 0.50 -0.01 0.00 0.00 175.02 175.67 2ckj s ARG 439 N 0.28 0.81 0.01 2.03 3.52 -0.68 -1.42 118.95 123.50 2ckj s ARG 439 Ca -0.14 -0.09 0.02 0.00 -0.13 0.00 0.00 55.73 55.40 2ckj s ARG 439 Cb -0.16 -0.85 -0.01 0.00 -1.56 0.00 0.00 34.95 32.37 2ckj s ARG 439 CO 0.06 -0.10 -0.08 0.54 -0.81 0.00 0.00 175.30 174.92 2ckj s VAL 440 N 1.00 0.62 0.02 7.11 0.11 -0.38 -1.80 120.40 127.07 2ckj s VAL 440 Ca -0.10 -0.49 0.08 0.00 -2.93 0.00 0.00 61.98 58.54 2ckj s VAL 440 Cb -0.14 -0.55 -0.02 0.00 -1.53 0.00 0.00 36.38 34.13 2ckj s VAL 440 CO -0.00 0.06 -0.24 -0.22 -3.33 0.00 0.00 175.10 171.37 2ckj s LEU 441 N -0.48 2.11 0.02 2.54 2.96 0.91 -1.08 118.68 125.67 2ckj s LEU 441 Ca 0.01 -0.50 0.05 0.00 -0.22 0.00 0.00 54.13 53.46 2ckj s LEU 441 Cb -0.04 -1.19 -0.03 0.00 0.50 0.00 0.00 46.19 45.43 2ckj s LEU 441 CO -0.00 0.25 -0.10 -0.36 -1.32 0.00 0.00 176.35 174.82 2ckj s PHE 442 N -0.69 2.78 -0.14 5.38 2.99 -1.13 -1.52 117.98 125.65 2ckj s PHE 442 Ca 0.10 -0.12 -0.30 0.00 0.00 0.00 0.00 56.93 56.61 2ckj s PHE 442 Cb -0.09 -1.55 -0.08 0.00 0.00 0.00 0.00 43.02 41.30 2ckj s PHE 442 CO 0.01 0.34 2.10 1.17 -0.00 0.00 0.00 175.22 178.83 2ckj n LYS 443 N 1.51 2.17 -1.09 0.44 4.81 -1.26 -4.67 118.16 120.06 2ckj n LYS 443 Ca -0.15 0.70 -0.30 0.00 -0.87 0.00 0.00 58.31 57.68 2ckj n LYS 443 Cb 0.52 -3.01 0.13 0.00 0.02 0.00 0.00 35.03 32.69 2ckj n LYS 443 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2ckj s PRO 444 N 5.47 1.55 0.00 1.64 0.04 -1.26 -2.88 135.00 139.57 2ckj s PRO 444 Ca 0.97 1.13 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2ckj s PRO 444 Cb -0.47 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.25 2ckj s PRO 444 CO 0.41 -2.12 0.00 0.41 0.04 0.00 0.00 177.00 175.74 2ckj n GLY 445 N -0.80 0.95 3.16 0.56 0.00 -1.26 -4.98 105.19 102.81 2ckj n GLY 445 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 2ckj n GLY 445 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ckj s THR 446 N -1.90 0.22 0.45 2.61 -4.23 -1.14 -5.14 115.64 106.51 2ckj s THR 446 Ca 0.00 -1.91 -0.24 0.00 -1.18 0.00 0.00 61.69 58.36 2ckj s THR 446 Cb 0.00 -1.99 -0.09 0.00 1.34 0.00 0.00 72.50 71.76 2ckj s THR 446 CO 0.00 -0.54 1.14 1.07 -0.54 0.00 0.00 174.62 175.75 2ckj n THR 447 N -0.09 2.73 0.08 3.99 5.66 -1.26 -4.53 114.28 120.86 2ckj n THR 447 Ca -0.07 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.43 2ckj n THR 447 Cb 0.63 -1.36 0.00 0.00 -1.55 0.00 0.00 70.33 68.05 2ckj n THR 447 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2ckj n GLU 448 N -0.11 0.00 0.00 1.09 2.13 -1.26 -4.79 120.64 117.70 2ckj n GLU 448 Ca 0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.91 2ckj n GLU 448 Cb 0.41 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.12 2ckj n GLU 448 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2ckj n VAL 449 N -2.76 0.00 0.07 6.31 0.31 -1.26 -3.13 118.33 117.87 2ckj n VAL 449 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 2ckj n VAL 449 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 2ckj n VAL 449 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2ckj h GLN 450 N 0.00 -0.39 -6.02 5.55 -0.00 -1.55 -1.77 115.11 110.94 2ckj h GLN 450 Ca 0.00 0.03 -0.58 0.00 -0.00 0.00 0.00 58.65 58.10 2ckj h GLN 450 Cb 0.00 0.09 -0.26 0.00 0.00 0.00 0.00 27.48 27.30 2ckj h GLN 450 CO 0.00 -0.26 -0.84 -1.21 0.00 0.00 0.00 178.83 176.52 2ckj s GLU 451 N -4.39 1.40 -0.08 1.69 2.02 -1.03 -4.76 118.70 113.55 2ckj s GLU 451 Ca -0.08 -0.89 -0.06 0.00 0.02 0.00 0.00 54.97 53.95 2ckj s GLU 451 Cb 0.03 -1.48 0.02 0.00 0.10 0.00 0.00 34.13 32.80 2ckj s GLU 451 CO 0.30 0.38 0.20 -1.17 0.02 0.00 0.00 175.26 175.00 2ckj s LEU 452 N -1.06 1.07 -0.15 1.80 2.96 -1.26 -0.06 118.68 121.98 2ckj s LEU 452 Ca 0.07 0.41 -0.10 0.00 -0.22 0.00 0.00 54.13 54.30 2ckj s LEU 452 Cb -0.09 0.67 0.05 0.00 0.50 0.00 0.00 46.19 47.33 2ckj s LEU 452 CO 0.01 -0.09 0.37 0.00 -1.32 0.00 0.00 176.35 175.32 2ckj s ALA 453 N 0.36 -0.93 -0.14 5.97 0.00 -0.75 -4.86 121.76 121.42 2ckj s ALA 453 Ca -0.02 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.22 2ckj s ALA 453 Cb -0.03 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.34 2ckj s ALA 453 CO -0.01 -0.22 -0.12 -0.51 0.00 0.00 0.00 175.76 174.89 2ckj s LEU 454 N 0.96 1.51 -0.03 0.00 1.43 -1.26 -1.69 118.68 119.61 2ckj s LEU 454 Ca -0.06 -0.42 0.05 0.00 -1.03 0.00 0.00 54.13 52.67 2ckj s LEU 454 Cb -0.07 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 45.08 2ckj s LEU 454 CO -0.07 -0.08 -0.19 0.00 0.23 0.00 0.00 176.35 176.24 2ckj s TYR 456 N -0.23 1.85 0.35 0.00 1.51 0.28 -2.30 117.35 118.80 2ckj s TYR 456 Ca 0.02 -1.12 -0.08 0.00 -1.01 0.00 0.00 57.07 54.88 2ckj s TYR 456 Cb -0.10 -1.40 -0.06 0.00 -0.11 0.00 0.00 41.96 40.30 2ckj s TYR 456 CO 0.01 -0.62 0.67 0.20 -1.11 0.00 0.00 175.55 174.70 2ckj s GLY 457 N 1.59 1.93 0.00 0.71 0.00 0.24 -3.17 107.32 108.62 2ckj s GLY 457 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.40 2ckj s GLY 457 CO -0.08 -0.18 0.00 0.61 0.00 0.00 0.00 173.10 173.44 2ckj n GLY 458 N -1.08 1.61 0.00 0.20 0.00 -1.12 -2.43 105.19 102.37 2ckj n GLY 458 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 2ckj n GLY 458 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ckj n MET 459 N -2.00 1.11 0.00 1.61 2.00 -1.26 -4.86 117.12 113.72 2ckj n MET 459 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 57.70 57.65 2ckj n MET 459 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 33.22 31.88 2ckj n MET 459 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2ckj n ALA 460 N -1.60 0.00 -0.36 3.04 0.00 -1.26 -5.03 120.51 115.30 2ckj n ALA 460 Ca 0.01 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.77 2ckj n ALA 460 Cb 0.32 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.41 2ckj n ALA 460 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2ckj h ASN 461 N 0.00 0.22 -1.49 0.00 2.35 -1.98 -3.48 115.58 111.20 2ckj h ASN 461 Ca 0.00 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 2ckj h ASN 461 Cb 0.00 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2ckj h ASN 461 CO 0.00 0.01 0.08 -2.11 -1.65 0.00 0.00 177.43 173.75 2ckj n ARG 462 N -4.43 0.29 -2.76 0.81 1.85 -1.26 -4.35 116.66 106.81 2ckj n ARG 462 Ca 0.28 -0.56 -0.43 0.00 -1.00 0.00 0.00 57.85 56.14 2ckj n ARG 462 Cb 1.16 0.71 -0.04 0.00 -1.05 0.00 0.00 32.46 33.24 2ckj n ARG 462 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2ckj s THR 463 N -2.75 4.23 0.38 8.89 2.01 -1.26 -4.74 115.64 122.40 2ckj s THR 463 Ca 0.04 0.31 0.08 0.00 0.31 0.00 0.00 61.69 62.43 2ckj s THR 463 Cb -0.01 -4.64 -0.02 0.00 0.01 0.00 0.00 72.50 67.84 2ckj s THR 463 CO 0.03 -1.30 0.39 0.27 -0.69 0.00 0.00 174.62 173.32 2ckj s ILE 464 N 4.36 3.14 0.12 1.82 -0.00 -1.19 -4.88 121.20 124.57 2ckj s ILE 464 Ca 0.32 -1.27 0.04 0.00 -0.00 0.00 0.00 60.65 59.74 2ckj s ILE 464 Cb -0.12 -3.10 -0.04 0.00 -0.00 0.00 0.00 42.46 39.20 2ckj s ILE 464 CO 0.18 -0.07 0.12 -0.55 -0.00 0.00 0.00 174.94 174.62 2ckj s SER 465 N -4.12 5.61 0.29 4.36 0.15 -1.26 0.98 113.70 119.71 2ckj s SER 465 Ca 0.46 -0.04 0.17 0.00 0.70 0.00 0.00 55.95 57.24 2ckj s SER 465 Cb -0.06 -1.51 1.04 0.00 -1.71 0.00 0.00 66.02 63.78 2ckj s SER 465 CO 0.28 0.12 1.20 0.00 1.20 0.00 0.00 173.24 176.05 2ckj n ALA 466 N 0.05 0.80 -0.19 5.45 0.00 0.30 -4.82 120.51 122.10 2ckj n ALA 466 Ca -0.08 0.77 0.01 0.00 0.00 0.00 0.00 53.44 54.13 2ckj n ALA 466 Cb 0.53 -0.78 0.26 0.00 0.00 0.00 0.00 19.45 19.46 2ckj n ALA 466 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2ckj h LEU 467 N 0.00 0.82 -0.64 0.00 8.10 -1.97 -3.14 115.31 118.48 2ckj h LEU 467 Ca 0.65 -0.03 0.13 0.00 0.11 0.00 0.00 57.88 58.74 2ckj h LEU 467 Cb 1.75 -0.21 -0.10 0.00 -0.44 0.00 0.00 40.66 41.67 2ckj h LEU 467 CO -0.57 0.60 0.10 0.11 -4.11 0.00 0.00 178.44 174.57 2ckj h LYS 468 N 0.96 0.21 -0.21 0.17 1.57 -1.98 0.14 116.57 117.42 2ckj h LYS 468 Ca 0.26 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 2ckj h LYS 468 Cb -0.10 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2ckj h LYS 468 CO -0.05 0.14 -0.08 1.15 -0.57 0.00 0.00 179.45 180.03 2ckj h THR 469 N 0.21 1.30 -0.41 -0.16 2.02 -1.87 -2.92 112.91 111.09 2ckj h THR 469 Ca 0.34 -1.13 0.05 0.00 0.77 0.00 0.00 66.41 66.45 2ckj h THR 469 Cb 0.55 1.60 -0.08 0.00 -1.74 0.00 0.00 68.15 68.48 2ckj h THR 469 CO -0.47 0.34 -0.54 0.74 0.37 0.00 0.00 175.52 175.96 2ckj h THR 470 N 0.13 0.01 0.00 3.16 2.02 -1.60 -3.28 112.91 113.36 2ckj h THR 470 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.23 2ckj h THR 470 Cb 0.56 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2ckj h THR 470 CO 0.03 0.00 0.00 1.67 0.37 0.00 0.00 175.52 177.59 2ckj n GLN 471 N -5.38 0.00 0.00 6.66 -0.06 0.43 -1.99 117.38 117.04 2ckj n GLN 471 Ca -0.03 0.11 0.00 0.00 -2.00 0.00 0.00 57.00 55.08 2ckj n GLN 471 Cb 0.34 -0.51 0.00 0.00 -4.06 0.00 0.00 30.24 26.01 2ckj n GLN 471 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2ckj n ARG 472 N -0.26 0.00 0.00 3.69 0.63 -1.23 0.70 116.66 120.19 2ckj n ARG 472 Ca 0.00 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.06 2ckj n ARG 472 Cb 0.00 0.00 0.74 0.00 0.45 0.00 0.00 32.46 33.65 2ckj n ARG 472 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2ckj n GLN 473 N -3.22 0.77 -2.69 -0.14 1.13 -0.84 -4.81 117.38 107.58 2ckj n GLN 473 Ca 0.00 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.64 2ckj n GLN 473 Cb 0.00 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.82 2ckj n GLN 473 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2ckj s LEU 474 N -2.01 4.25 -1.20 1.08 0.20 0.22 -3.36 118.68 117.85 2ckj s LEU 474 Ca 0.37 1.53 -0.08 0.00 0.69 0.00 0.00 54.13 56.65 2ckj s LEU 474 Cb 0.17 -3.55 -0.02 0.00 -0.43 0.00 0.00 46.19 42.36 2ckj s LEU 474 CO 0.29 -0.44 0.78 -1.54 -0.29 0.00 0.00 176.35 175.15 2ckj n SER 475 N 4.98 -3.54 0.00 3.68 3.41 -0.67 -5.08 113.62 116.40 2ckj n SER 475 Ca 0.09 -0.86 0.00 0.00 -0.26 0.00 0.00 58.87 57.84 2ckj n SER 475 Cb 0.49 -4.10 0.00 0.00 -0.26 0.00 0.00 64.21 60.34 2ckj n SER 475 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ckj n LYS 476 N -4.03 3.82 -4.18 4.33 5.02 -1.18 -4.97 118.16 116.96 2ckj n LYS 476 Ca -0.19 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 55.94 2ckj n LYS 476 Cb 0.64 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.52 2ckj n LYS 476 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ckj s LEU 477 N 0.00 2.18 -0.74 -0.35 1.43 -1.26 -4.44 118.68 115.51 2ckj s LEU 477 Ca 0.00 -0.44 -0.26 0.00 -1.03 0.00 0.00 54.13 52.40 2ckj s LEU 477 Cb 0.00 -0.36 0.00 0.00 0.03 0.00 0.00 46.19 45.86 2ckj s LEU 477 CO 0.00 -0.07 1.63 0.86 0.23 0.00 0.00 176.35 179.01 2ckj s TRP 478 N -0.96 1.98 -0.08 0.29 -0.11 -1.26 -4.51 118.94 114.29 2ckj s TRP 478 Ca -0.03 0.30 -0.30 0.00 1.22 0.00 0.00 56.10 57.29 2ckj s TRP 478 Cb -0.08 -4.33 0.12 0.00 -1.50 0.00 0.00 33.47 27.68 2ckj s TRP 478 CO 0.01 -2.11 0.98 0.15 -4.62 0.00 0.00 176.95 171.36 2ckj s LYS 479 N 6.38 0.66 0.18 5.86 1.02 -1.26 -5.10 119.74 127.47 2ckj s LYS 479 Ca 0.55 -0.18 -0.15 0.00 0.02 0.00 0.00 55.97 56.20 2ckj s LYS 479 Cb -0.09 0.30 0.16 0.00 -0.52 0.00 0.00 37.83 37.69 2ckj s LYS 479 CO 0.12 -0.28 1.25 -1.91 -0.92 0.00 0.00 175.35 173.62 2ckj n GLU 480 N -0.04 -0.21 0.00 1.68 4.07 -1.26 -1.33 120.64 123.54 2ckj n GLU 480 Ca -0.07 1.24 0.09 0.00 -0.06 0.00 0.00 57.16 58.36 2ckj n GLU 480 Cb 0.60 -1.84 0.47 0.00 -0.06 0.00 0.00 31.44 30.62 2ckj n GLU 480 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2ckj n GLU 481 N -5.17 0.27 -0.07 5.31 4.71 -1.26 -1.65 120.64 122.79 2ckj n GLU 481 Ca 0.07 0.11 -0.12 0.00 -0.01 0.00 0.00 57.16 57.21 2ckj n GLU 481 Cb 0.31 -1.50 -0.10 0.00 -1.01 0.00 0.00 31.44 29.14 2ckj n GLU 481 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2ckj h LEU 482 N 0.00 0.00 -1.79 -4.62 5.85 -1.44 -3.29 115.31 110.02 2ckj h LEU 482 Ca 0.00 -0.76 0.23 0.00 0.84 0.00 0.00 57.88 58.20 2ckj h LEU 482 Cb 0.17 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 2ckj h LEU 482 CO 0.00 0.95 0.62 0.25 -0.34 0.00 0.00 178.44 179.91 2ckj h LEU 483 N -1.00 0.17 -0.02 2.25 5.85 -1.22 -0.49 115.31 120.85 2ckj h LEU 483 Ca -0.03 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2ckj h LEU 483 Cb 0.84 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.86 2ckj h LEU 483 CO -0.02 0.06 -0.08 1.56 -0.34 0.00 0.00 178.44 179.63 2ckj h GLN 484 N 0.17 0.09 -0.55 1.25 1.08 -1.65 -3.13 115.11 112.37 2ckj h GLN 484 Ca 0.44 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 57.47 2ckj h GLN 484 Cb 1.47 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.89 2ckj h GLN 484 CO -0.08 0.71 -0.06 0.22 -0.95 0.00 0.00 178.83 178.66 2ckj h ASP 485 N -0.51 1.01 0.28 1.46 1.82 -1.30 0.19 116.42 119.37 2ckj h ASP 485 Ca -0.00 -0.33 -0.01 0.00 -0.39 0.00 0.00 57.03 56.30 2ckj h ASP 485 Cb 0.72 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.45 2ckj h ASP 485 CO 0.02 1.11 -0.19 0.58 -1.61 0.00 0.00 179.24 179.14 2ckj h VAL 486 N 0.90 0.60 -0.74 2.25 2.07 -1.24 -2.39 116.25 117.69 2ckj h VAL 486 Ca 0.15 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.60 2ckj h VAL 486 Cb 0.63 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2ckj h VAL 486 CO 0.04 0.00 0.21 0.00 0.02 0.00 0.00 177.57 177.84 2ckj h ALA 488 N 1.11 0.63 0.00 0.00 0.00 -0.29 -2.88 119.26 117.83 2ckj h ALA 488 Ca 0.24 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2ckj h ALA 488 Cb 0.34 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2ckj h ALA 488 CO -0.00 -0.36 -0.32 0.41 0.00 0.00 0.00 179.25 178.98 2ckj n GLY 489 N -1.34 -1.54 0.21 0.00 0.00 -0.64 -1.93 105.19 99.94 2ckj n GLY 489 Ca 0.09 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.06 2ckj n GLY 489 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ckj h LEU 490 N 0.00 0.00 0.06 0.99 3.38 -0.81 -2.39 115.31 116.54 2ckj h LEU 490 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 2ckj h LEU 490 Cb 0.72 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 2ckj h LEU 490 CO 0.00 0.20 -1.59 0.00 0.09 0.00 0.00 178.44 177.14 2ckj h ALA 491 N 1.80 0.48 0.68 1.53 0.00 -1.23 -3.27 119.26 119.25 2ckj h ALA 491 Ca -0.00 -1.25 -0.03 0.00 0.00 0.00 0.00 54.91 53.63 2ckj h ALA 491 Cb 0.94 0.36 0.01 0.00 0.00 0.00 0.00 17.79 19.09 2ckj h ALA 491 CO 0.03 1.33 -0.33 1.49 0.00 0.00 0.00 179.25 181.77 2ckj h GLU 492 N 0.04 -0.88 -0.03 0.00 4.81 -1.44 -3.24 114.58 113.84 2ckj h GLU 492 Ca -0.25 0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2ckj h GLU 492 Cb 1.99 0.20 -0.00 0.00 0.63 0.00 0.00 28.75 31.56 2ckj h GLU 492 CO 0.12 -0.59 0.02 1.49 -0.73 0.00 0.00 179.01 179.32 2ckj h GLU 493 N -1.13 0.05 -1.31 1.92 4.81 -1.55 -2.89 114.58 114.48 2ckj h GLU 493 Ca -0.09 -0.01 -0.67 0.00 -0.13 0.00 0.00 59.36 58.46 2ckj h GLU 493 Cb 0.70 -0.01 -0.33 0.00 0.63 0.00 0.00 28.75 29.74 2ckj h GLU 493 CO 0.15 0.13 0.38 1.28 -0.73 0.00 0.00 179.01 180.22 2ckj n LEU 494 N -5.02 6.71 -4.77 1.64 4.32 -1.23 -5.01 117.00 113.65 2ckj n LEU 494 Ca -0.07 -4.66 -0.34 0.00 -0.02 0.00 0.00 56.01 50.92 2ckj n LEU 494 Cb 0.08 -0.81 0.03 0.00 -1.62 0.00 0.00 43.42 41.09 2ckj n LEU 494 CO 0.33 1.78 0.77 -2.28 -1.22 0.00 0.00 177.39 176.78 2ckj s HIS 495 N -3.82 2.61 -0.05 -1.77 2.46 -1.09 -4.93 115.29 108.70 2ckj s HIS 495 Ca 0.56 1.55 0.05 0.00 0.47 0.00 0.00 55.06 57.69 2ckj s HIS 495 Cb 0.46 -3.26 -0.02 0.00 -0.13 0.00 0.00 32.58 29.62 2ckj s HIS 495 CO -0.14 -1.71 -0.21 -0.51 -2.47 0.00 0.00 174.74 169.71 2ckj s LEU 496 N -4.30 2.35 0.29 8.88 1.43 -1.26 -5.11 118.68 120.95 2ckj s LEU 496 Ca 0.71 -0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 53.14 2ckj s LEU 496 Cb -0.23 -1.45 -0.10 0.00 0.03 0.00 0.00 46.19 44.45 2ckj s LEU 496 CO 0.34 0.30 1.17 -2.16 0.23 0.00 0.00 176.35 176.23 2ckj s PRO 497 N -0.47 4.54 0.41 1.29 0.04 -1.26 -4.95 135.00 134.59 2ckj s PRO 497 Ca 0.06 1.94 0.28 0.00 0.04 0.00 0.00 61.00 63.32 2ckj s PRO 497 Cb -0.12 -3.16 1.08 0.00 0.04 0.00 0.00 34.50 32.34 2ckj s PRO 497 CO 0.01 0.06 1.83 -1.35 0.04 0.00 0.00 177.00 177.59 2ckj h PRO 498 N 3.84 0.00 0.00 0.56 0.11 -2.00 -1.48 132.00 133.04 2ckj h PRO 498 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2ckj h PRO 498 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2ckj h PRO 498 CO 0.67 0.00 0.00 0.38 -0.21 0.00 0.00 178.00 178.84 2ckj h ASP 499 N 0.00 0.00 -1.61 -2.05 2.03 -1.97 -3.47 116.42 109.35 2ckj h ASP 499 Ca 0.00 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.72 2ckj h ASP 499 Cb 0.53 0.00 0.15 0.00 -0.83 0.00 0.00 39.33 39.18 2ckj h ASP 499 CO 0.00 0.00 -0.91 0.00 -1.03 0.00 0.00 179.24 177.30 2ckj n ALA 500 N -2.03 -2.91 -2.09 4.15 0.00 -0.56 -4.65 120.51 112.42 2ckj n ALA 500 Ca -0.01 0.09 -0.30 0.00 0.00 0.00 0.00 53.44 53.23 2ckj n ALA 500 Cb 0.19 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.25 2ckj n ALA 500 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ckj s PRO 501 N -0.94 3.65 0.00 0.00 0.04 -1.26 -3.74 135.00 132.74 2ckj s PRO 501 Ca 0.55 0.50 0.00 0.00 0.04 0.00 0.00 61.00 62.09 2ckj s PRO 501 Cb -0.58 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 31.69 2ckj s PRO 501 CO 0.59 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.75 2ckj n GLY 502 N -2.15 3.09 7.00 0.56 0.00 -1.26 -4.97 105.19 107.46 2ckj n GLY 502 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2ckj n GLY 502 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLY 503 N -0.87 -1.10 2.12 -0.02 0.00 -1.25 -4.92 105.19 99.15 2ckj n GLY 503 Ca 0.00 -1.22 -0.05 0.00 0.00 0.00 0.00 46.02 44.75 2ckj n GLY 503 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ckj n MET 504 N -0.12 -0.41 0.00 1.61 2.81 -1.26 -4.79 117.12 114.97 2ckj n MET 504 Ca 0.00 0.39 0.14 0.00 -1.81 0.00 0.00 57.70 56.42 2ckj n MET 504 Cb 0.00 -4.16 0.77 0.00 -0.71 0.00 0.00 33.22 29.12 2ckj n MET 504 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2ckj n VAL 505 N -3.64 0.06 -0.04 2.03 0.31 -1.26 -0.97 118.33 114.81 2ckj n VAL 505 Ca -0.06 0.01 -0.04 0.00 -0.01 0.00 0.00 64.34 64.24 2ckj n VAL 505 Cb 0.43 -0.55 -0.04 0.00 -0.91 0.00 0.00 33.84 32.76 2ckj n VAL 505 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2ckj n ASP 506 N -1.17 3.41 -0.03 4.52 10.43 -1.26 -3.75 116.55 128.71 2ckj n ASP 506 Ca 0.17 -0.02 -0.05 0.00 2.57 0.00 0.00 54.79 57.45 2ckj n ASP 506 Cb 0.17 0.24 0.15 0.00 1.84 0.00 0.00 41.12 43.52 2ckj n ASP 506 CO 0.00 0.00 0.00 0.15 -1.07 0.00 0.00 177.20 176.28 2ckj h PHE 507 N 0.00 0.68 0.10 1.24 3.57 -1.55 -2.78 116.94 118.19 2ckj h PHE 507 Ca -0.17 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.17 2ckj h PHE 507 Cb 1.33 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.91 2ckj h PHE 507 CO 0.00 0.80 -0.05 -0.09 -2.23 0.00 0.00 178.31 176.75 2ckj h ARG 508 N 0.52 -0.12 -0.70 1.11 2.43 -1.24 -2.30 114.38 114.08 2ckj h ARG 508 Ca 0.07 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.40 2ckj h ARG 508 Cb 0.72 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 30.20 2ckj h ARG 508 CO 0.06 0.38 0.15 0.00 -1.51 0.00 0.00 179.97 179.05 2ckj h THR 510 N 0.25 1.03 0.44 0.00 2.02 -1.16 -2.56 112.91 112.93 2ckj h THR 510 Ca 0.39 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 67.26 2ckj h THR 510 Cb 0.64 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 2ckj h THR 510 CO -0.49 0.08 -0.21 -0.07 0.37 0.00 0.00 175.52 175.20 2ckj h LEU 511 N 0.00 -0.50 -0.07 2.58 3.38 -1.35 -3.00 115.31 116.35 2ckj h LEU 511 Ca -0.00 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2ckj h LEU 511 Cb 0.15 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2ckj h LEU 511 CO 0.01 -0.22 -0.04 0.35 0.09 0.00 0.00 178.44 178.63 2ckj n THR 512 N -4.34 -0.04 0.10 0.22 -2.24 -0.98 0.12 114.28 107.11 2ckj n THR 512 Ca -0.07 0.28 0.13 0.00 -2.27 0.00 0.00 64.05 62.11 2ckj n THR 512 Cb 0.23 -0.35 0.62 0.00 -2.10 0.00 0.00 70.33 68.73 2ckj n THR 512 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2ckj h LEU 513 N 0.00 0.09 0.10 3.22 3.38 -1.63 -3.20 115.31 117.27 2ckj h LEU 513 Ca 0.01 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.75 2ckj h LEU 513 Cb 0.03 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2ckj h LEU 513 CO -0.06 0.06 -1.18 0.28 0.09 0.00 0.00 178.44 177.63 2ckj h SER 514 N 0.10 0.33 -0.33 -0.43 0.02 0.10 -2.89 113.55 110.46 2ckj h SER 514 Ca 0.14 -0.85 0.03 0.00 -0.84 0.00 0.00 61.79 60.28 2ckj h SER 514 Cb 0.45 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 2ckj h SER 514 CO -0.01 1.52 0.13 -0.26 -1.14 0.00 0.00 176.83 177.06 2ckj h PHE 515 N -0.44 0.23 -0.91 3.45 0.05 -1.30 0.60 116.94 118.62 2ckj h PHE 515 Ca -0.26 0.02 0.07 0.00 3.82 0.00 0.00 57.97 61.62 2ckj h PHE 515 Cb 1.64 -0.06 -0.06 0.00 2.00 0.00 0.00 35.95 39.47 2ckj h PHE 515 CO 0.15 0.11 0.59 0.35 -0.18 0.00 0.00 178.31 179.32 2ckj h PHE 516 N 0.28 1.04 0.35 -0.55 3.57 -1.57 0.79 116.94 120.85 2ckj h PHE 516 Ca 0.15 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 2ckj h PHE 516 Cb 0.10 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.51 2ckj h PHE 516 CO -0.13 0.53 -0.17 0.35 -2.23 0.00 0.00 178.31 176.67 2ckj h PHE 517 N 1.01 -0.43 -0.94 0.41 3.04 -1.14 0.50 116.94 119.39 2ckj h PHE 517 Ca 0.40 -0.01 0.17 0.00 3.98 0.00 0.00 57.97 62.50 2ckj h PHE 517 Cb 0.23 0.14 -0.08 0.00 2.56 0.00 0.00 35.95 38.80 2ckj h PHE 517 CO -0.00 -0.22 0.60 0.87 -2.02 0.00 0.00 178.31 177.54 2ckj h LYS 518 N -0.55 0.65 -0.08 1.11 1.57 0.14 -0.92 116.57 118.50 2ckj h LYS 518 Ca -0.05 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2ckj h LYS 518 Cb 0.41 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 2ckj h LYS 518 CO 0.08 0.43 -0.00 0.35 -0.57 0.00 0.00 179.45 179.74 2ckj h PHE 519 N 0.67 0.15 -0.39 -1.35 3.57 0.18 -3.00 116.94 116.77 2ckj h PHE 519 Ca 0.49 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.92 2ckj h PHE 519 Cb 0.86 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 2ckj h PHE 519 CO -0.00 0.42 0.04 -0.92 -2.23 0.00 0.00 178.31 175.62 2ckj h TYR 520 N -0.16 0.61 0.17 0.41 -0.00 0.13 -2.42 116.97 115.71 2ckj h TYR 520 Ca 0.02 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.73 58.69 2ckj h TYR 520 Cb 0.36 -0.18 0.00 0.00 -0.00 0.00 0.00 36.73 36.91 2ckj h TYR 520 CO 0.04 0.57 -0.08 -0.07 -0.00 0.00 0.00 178.16 178.61 2ckj h LEU 521 N 0.57 -0.20 0.00 2.82 3.38 -1.34 -3.18 115.31 117.36 2ckj h LEU 521 Ca 0.13 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2ckj h LEU 521 Cb 0.30 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2ckj h LEU 521 CO 0.01 0.19 0.00 0.35 0.09 0.00 0.00 178.44 179.08 2ckj n THR 522 N -5.02 0.40 0.20 0.22 -2.24 -1.07 -2.62 114.28 104.15 2ckj n THR 522 Ca -0.09 0.10 -0.08 0.00 -2.27 0.00 0.00 64.05 61.71 2ckj n THR 522 Cb 0.24 -0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 67.67 2ckj n THR 522 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2ckj h VAL 523 N 0.00 0.00 -0.51 2.28 2.07 -1.42 -3.33 116.25 115.33 2ckj h VAL 523 Ca 0.00 -0.19 0.08 0.00 0.82 0.00 0.00 66.70 67.41 2ckj h VAL 523 Cb 0.21 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.88 2ckj h VAL 523 CO 0.00 0.00 -0.46 -0.07 0.02 0.00 0.00 177.57 177.06 2ckj h LEU 524 N -0.73 -1.58 -0.43 2.57 4.07 -1.57 0.51 115.31 118.14 2ckj h LEU 524 Ca -0.06 0.24 0.18 0.00 0.08 0.00 0.00 57.88 58.32 2ckj h LEU 524 Cb 0.42 0.69 -0.07 0.00 1.08 0.00 0.00 40.66 42.77 2ckj h LEU 524 CO 0.09 -0.36 0.24 1.67 -1.08 0.00 0.00 178.44 179.00 2ckj n GLN 525 N -5.40 -0.02 -0.86 1.13 -0.06 -1.08 0.15 117.38 111.24 2ckj n GLN 525 Ca 0.00 0.58 -0.01 0.00 -2.00 0.00 0.00 57.00 55.57 2ckj n GLN 525 Cb 0.35 -1.04 0.30 0.00 -4.06 0.00 0.00 30.24 25.78 2ckj n GLN 525 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 2ckj n LYS 526 N -3.92 3.50 0.00 3.69 0.00 0.18 -4.52 118.16 117.09 2ckj n LYS 526 Ca 0.16 -3.06 0.00 0.00 0.00 0.00 0.00 58.31 55.41 2ckj n LYS 526 Cb 0.55 -2.10 0.00 0.00 0.00 0.00 0.00 35.03 33.48 2ckj n LYS 526 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2ckj n LEU 527 N -0.25 0.00 -1.52 3.14 4.32 0.12 -4.94 117.00 117.88 2ckj n LEU 527 Ca 0.34 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 56.27 2ckj n LEU 527 Cb 1.22 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 43.05 2ckj n LEU 527 CO 0.34 0.00 0.94 0.61 -1.22 0.00 0.00 177.39 178.06 2ckj n GLY 528 N 2.10 2.96 1.46 -0.72 0.00 -1.26 -4.92 105.19 104.80 2ckj n GLY 528 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2ckj n GLY 528 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ckj n GLN 529 N 0.70 0.00 0.00 1.61 0.00 -0.88 -4.96 117.38 113.85 2ckj n GLN 529 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.13 2ckj n GLN 529 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.85 2ckj n GLN 529 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2ckj n GLU 530 N 0.00 0.00 0.00 3.69 -0.58 -1.26 -4.18 120.64 118.31 2ckj n GLU 530 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2ckj n GLU 530 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2ckj n GLU 530 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2ckj n ASN 531 N 0.00 0.00 0.11 1.62 2.85 -1.26 -4.79 115.26 113.79 2ckj n ASN 531 Ca 0.00 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.46 2ckj n ASN 531 Cb 0.00 0.00 0.24 0.00 1.24 0.00 0.00 39.78 41.26 2ckj n ASN 531 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2ckj h LEU 532 N 0.00 0.19-10.06 1.20 -0.00 -1.94 -3.51 115.31 101.19 2ckj h LEU 532 Ca 0.00 -0.08 -0.54 0.00 -0.00 0.00 0.00 57.88 57.27 2ckj h LEU 532 Cb 0.00 -0.05 0.19 0.00 -0.00 0.00 0.00 40.66 40.80 2ckj h LEU 532 CO 0.00 0.59 0.04 -1.84 -0.00 0.00 0.00 178.44 177.23 2ckj n GLU 533 N -4.02 -0.01 0.00 1.13 -0.00 -1.26 -4.93 120.64 111.56 2ckj n GLU 533 Ca -0.02 0.07 0.00 0.00 -0.00 0.00 0.00 57.16 57.21 2ckj n GLU 533 Cb 0.48 -2.23 0.00 0.00 -0.00 0.00 0.00 31.44 29.69 2ckj n GLU 533 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2ckj n ASP 534 N -2.65 0.00 -3.75 -1.84 9.92 -1.26 -5.15 116.55 111.82 2ckj n ASP 534 Ca 0.11 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.27 2ckj n ASP 534 Cb 0.51 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.93 2ckj n ASP 534 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2ckj s LYS 535 N 0.00 0.90 -0.11 -1.24 1.02 -1.26 -5.07 119.74 113.98 2ckj s LYS 535 Ca 0.00 -0.70 -0.03 0.00 0.02 0.00 0.00 55.97 55.26 2ckj s LYS 535 Cb 0.00 0.38 -0.10 0.00 -0.52 0.00 0.00 37.83 37.59 2ckj s LYS 535 CO 0.00 -0.31 1.83 0.00 -0.92 0.00 0.00 175.35 175.95 2ckj s GLY 537 N 2.77 2.38 0.28 0.00 0.00 -1.26 -5.00 107.32 106.48 2ckj s GLY 537 Ca 0.29 0.48 0.00 0.00 0.00 0.00 0.00 44.72 45.48 2ckj s GLY 537 CO -0.00 0.78 0.00 0.58 0.00 0.00 0.00 173.10 174.45 2ckj n LYS 538 N -1.09 -1.75 0.00 2.90 0.00 -1.26 -4.91 118.16 112.05 2ckj n LYS 538 Ca 0.08 1.31 0.00 0.00 -0.00 0.00 0.00 58.31 59.71 2ckj n LYS 538 Cb 0.53 -2.09 0.00 0.00 -0.00 0.00 0.00 35.03 33.48 2ckj n LYS 538 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2ckj n LEU 539 N -3.50 -0.02 -0.05 -5.58 7.94 -1.26 -4.82 117.00 109.71 2ckj n LEU 539 Ca -0.02 0.01 -0.14 0.00 -1.11 0.00 0.00 56.01 54.75 2ckj n LEU 539 Cb 0.38 0.12 -0.08 0.00 0.53 0.00 0.00 43.42 44.37 2ckj n LEU 539 CO 0.02 -0.50 0.52 0.44 -1.11 0.00 0.00 177.39 176.75 2ckj h ASP 540 N 0.00 0.45 -4.03 1.96 3.45 -2.03 -3.46 116.42 112.76 2ckj h ASP 540 Ca 0.00 -0.56 -0.52 0.00 0.43 0.00 0.00 57.03 56.38 2ckj h ASP 540 Cb 0.00 -0.13 0.20 0.00 -0.56 0.00 0.00 39.33 38.84 2ckj h ASP 540 CO 0.00 0.92 0.01 -0.81 -1.57 0.00 0.00 179.24 177.79 2ckj n PRO 541 N -4.44 -0.46 -2.20 3.56 -0.04 -1.26 -4.76 135.00 125.40 2ckj n PRO 541 Ca -0.07 -0.07 -0.06 0.00 -0.04 0.00 0.00 63.50 63.26 2ckj n PRO 541 Cb 0.45 -2.24 0.03 0.00 -0.04 0.00 0.00 33.50 31.69 2ckj n PRO 541 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2ckj n THR 542 N -4.11 -4.31 0.00 0.52 5.66 -1.26 -5.00 114.28 105.78 2ckj n THR 542 Ca 0.10 -0.52 0.00 0.00 -3.05 0.00 0.00 64.05 60.58 2ckj n THR 542 Cb 0.52 -4.44 0.00 0.00 -1.55 0.00 0.00 70.33 64.86 2ckj n THR 542 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 2ckj n PHE 543 N -2.15 0.00 0.00 1.09 0.99 -1.26 -5.14 117.46 110.99 2ckj n PHE 543 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.42 2ckj n PHE 543 Cb 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.03 2ckj n PHE 543 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2ckj n ALA 544 N -3.00 0.00 -1.22 4.37 0.00 -1.26 -5.17 120.51 114.23 2ckj n ALA 544 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ckj n ALA 544 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2ckj n ALA 544 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ckj n SER 545 N 0.00 0.00 0.00 0.00 2.88 -1.26 -5.21 113.62 110.04 2ckj n SER 545 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2ckj n SER 545 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2ckj n SER 545 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ckj n ALA 546 N -1.62 0.00 0.00 -1.46 0.00 -1.26 -5.21 120.51 110.96 2ckj n ALA 546 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ckj n ALA 546 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2ckj n ALA 546 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2ckj n THR 547 N 9.00 0.00 0.00 0.00 5.66 -1.26 -5.25 114.28 122.43 2ckj n THR 547 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2ckj n THR 547 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2ckj n THR 547 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2ckj n ASP 557 N 0.00 0.00 -3.75 1.09 5.68 -1.26 -5.05 116.55 113.26 2ckj n ASP 557 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.16 2ckj n ASP 557 Cb 0.00 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 39.87 2ckj n ASP 557 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2ckj s VAL 558 N 0.00 -0.01 -0.05 2.12 1.01 -1.23 -4.90 120.40 117.34 2ckj s VAL 558 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 2ckj s VAL 558 Cb 0.00 -0.46 0.04 0.00 0.00 0.00 0.00 36.38 35.95 2ckj s VAL 558 CO 0.00 0.01 0.11 -1.10 0.00 0.00 0.00 175.10 174.11 2ckj s GLN 559 N 0.39 0.01 0.04 2.72 1.11 -1.26 -2.72 119.66 119.96 2ckj s GLN 559 Ca -0.02 0.38 0.01 0.00 0.01 0.00 0.00 55.36 55.75 2ckj s GLN 559 Cb -0.04 -0.29 -0.03 0.00 -1.01 0.00 0.00 33.01 31.65 2ckj s GLN 559 CO -0.02 -0.24 -0.06 -0.48 0.01 0.00 0.00 175.29 174.50 2ckj s LEU 560 N 1.67 2.30 0.00 2.90 0.05 -0.85 -4.93 118.68 119.82 2ckj s LEU 560 Ca -0.03 -0.63 -0.00 0.00 0.05 0.00 0.00 54.13 53.52 2ckj s LEU 560 Cb -0.12 -0.06 0.00 0.00 -2.05 0.00 0.00 46.19 43.96 2ckj s LEU 560 CO -0.05 -0.29 0.05 2.22 -0.55 0.00 0.00 176.35 177.73 2ckj n PHE 561 N 1.20 -0.63 -4.82 3.48 1.16 -1.26 -2.42 117.46 114.17 2ckj n PHE 561 Ca -0.21 -0.21 -0.33 0.00 -1.87 0.00 0.00 57.45 54.83 2ckj n PHE 561 Cb 0.56 0.06 -0.13 0.00 -1.61 0.00 0.00 39.48 38.36 2ckj n PHE 561 CO 0.00 0.00 0.00 -1.14 -1.87 0.00 0.00 176.76 173.75 2ckj s GLN 562 N -2.06 2.71 0.36 3.97 0.74 -1.26 -4.85 119.66 119.27 2ckj s GLN 562 Ca 0.02 -0.67 -0.27 0.00 0.05 0.00 0.00 55.36 54.50 2ckj s GLN 562 Cb -0.00 -2.46 -0.09 0.00 1.10 0.00 0.00 33.01 31.55 2ckj s GLN 562 CO 0.02 0.56 1.28 -2.00 -0.55 0.00 0.00 175.29 174.59 2ckj s GLU 563 N -0.55 4.20 0.31 1.67 2.56 -1.26 -5.05 118.70 120.58 2ckj s GLU 563 Ca 0.08 2.12 -0.29 0.00 0.00 0.00 0.00 54.97 56.88 2ckj s GLU 563 Cb -0.12 -2.92 -0.10 0.00 2.00 0.00 0.00 34.13 33.00 2ckj s GLU 563 CO 0.01 -0.29 1.24 0.14 -0.56 0.00 0.00 175.26 175.81 2ckj s VAL 564 N -1.22 2.99 0.00 3.70 -7.23 -1.26 -4.97 120.40 112.41 2ckj s VAL 564 Ca 0.52 0.99 0.00 0.00 -1.81 0.00 0.00 61.98 61.69 2ckj s VAL 564 Cb -0.38 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 32.93 2ckj s VAL 564 CO 0.49 0.23 0.00 -2.65 -0.31 0.00 0.00 175.10 172.86 2ckj n PRO 565 N 1.01 0.00 -0.29 4.82 -0.02 -1.26 -4.86 135.00 134.40 2ckj n PRO 565 Ca -0.00 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.60 2ckj n PRO 565 Cb 0.43 0.00 0.28 0.00 -0.02 0.00 0.00 33.50 34.19 2ckj n PRO 565 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2ckj h LYS 566 N 0.00 0.28 -0.36 -0.52 1.79 -2.05 -3.08 116.57 112.63 2ckj h LYS 566 Ca 0.00 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.48 2ckj h LYS 566 Cb 0.00 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.56 2ckj h LYS 566 CO 0.00 0.18 0.19 0.78 -1.08 0.00 0.00 179.45 179.52 2ckj h GLY 567 N 0.29 0.49 -2.05 3.86 0.00 -2.04 -3.48 103.07 100.14 2ckj h GLY 567 Ca 0.53 -0.14 -0.48 0.00 0.00 0.00 0.00 47.33 47.24 2ckj h GLY 567 CO -0.58 0.11 0.40 -0.86 0.00 0.00 0.00 176.54 175.61 2ckj s GLN 568 N -6.16 3.61 0.96 4.80 -2.07 -1.17 -4.97 119.66 114.66 2ckj s GLN 568 Ca -0.13 1.43 -0.11 0.00 -1.82 0.00 0.00 55.36 54.72 2ckj s GLN 568 Cb 0.11 -2.06 0.12 0.00 -1.09 0.00 0.00 33.01 30.10 2ckj s GLN 568 CO 0.71 -0.60 0.87 0.45 -1.32 0.00 0.00 175.29 175.40 2ckj n SER 569 N -1.17 -0.68 0.17 12.60 2.88 -1.26 -4.91 113.62 121.26 2ckj n SER 569 Ca 0.10 0.33 0.02 0.00 -1.33 0.00 0.00 58.87 57.99 2ckj n SER 569 Cb 0.52 -1.36 0.30 0.00 -0.75 0.00 0.00 64.21 62.92 2ckj n SER 569 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2ckj h GLU 570 N -1.87 0.00 -0.01 -1.46 4.39 -2.01 -3.27 114.58 110.35 2ckj h GLU 570 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 2ckj h GLU 570 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 2ckj h GLU 570 CO 0.39 0.46 -0.61 -0.85 -1.16 0.00 0.00 179.01 177.24 2ckj n GLU 571 N -3.82 1.12 -2.56 2.33 0.28 -1.26 -4.77 120.64 111.96 2ckj n GLU 571 Ca -0.01 -0.58 -0.43 0.00 -0.16 0.00 0.00 57.16 55.98 2ckj n GLU 571 Cb 0.50 -1.40 -0.02 0.00 1.43 0.00 0.00 31.44 31.95 2ckj n GLU 571 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2ckj s ASP 572 N -2.47 7.10 -0.00 -1.84 2.15 -1.23 -4.45 116.67 115.92 2ckj s ASP 572 Ca 0.13 1.60 0.09 0.00 0.43 0.00 0.00 52.55 54.80 2ckj s ASP 572 Cb 0.16 -2.55 -0.10 0.00 -0.30 0.00 0.00 42.92 40.13 2ckj s ASP 572 CO 0.62 -0.60 0.37 0.23 -0.17 0.00 0.00 175.17 175.62 2ckj n MET 573 N 5.71 3.93 -1.89 4.34 2.81 -1.26 -4.78 117.12 125.98 2ckj n MET 573 Ca 0.11 -0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.58 2ckj n MET 573 Cb 0.47 -0.93 -0.03 0.00 -0.71 0.00 0.00 33.22 32.02 2ckj n MET 573 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2ckj s VAL 574 N -1.87 2.45 0.00 2.03 1.01 -1.26 -1.03 120.40 121.73 2ckj s VAL 574 Ca 0.03 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.35 2ckj s VAL 574 Cb 0.07 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2ckj s VAL 574 CO 0.37 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.11 2ckj n GLY 575 N 3.34 2.50 3.87 4.51 0.00 0.27 -4.99 105.19 114.69 2ckj n GLY 575 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2ckj n GLY 575 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ckj s ARG 576 N -0.01 3.72 -1.24 1.61 1.81 -0.19 -4.65 118.95 119.99 2ckj s ARG 576 Ca 0.00 0.59 -0.06 0.00 -1.72 0.00 0.00 55.73 54.54 2ckj s ARG 576 Cb 0.00 -2.25 0.19 0.00 -0.45 0.00 0.00 34.95 32.44 2ckj s ARG 576 CO 0.00 -0.26 2.01 -0.35 -0.68 0.00 0.00 175.30 176.02 2ckj n PRO 577 N -1.95 4.34 -3.21 3.54 -0.04 -1.26 -4.37 135.00 132.05 2ckj n PRO 577 Ca 0.04 -3.78 -0.39 0.00 -0.04 0.00 0.00 63.50 59.33 2ckj n PRO 577 Cb 0.54 -2.70 -0.06 0.00 -0.04 0.00 0.00 33.50 31.25 2ckj n PRO 577 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2ckj s LEU 578 N -1.79 4.28 0.39 1.53 2.96 -1.26 -4.81 118.68 119.98 2ckj s LEU 578 Ca 0.44 0.93 -0.27 0.00 -0.22 0.00 0.00 54.13 55.01 2ckj s LEU 578 Cb 0.14 -2.83 -0.10 0.00 0.50 0.00 0.00 46.19 43.89 2ckj s LEU 578 CO -0.03 -0.06 1.40 -2.16 -1.32 0.00 0.00 176.35 174.18 2ckj s PRO 579 N 0.79 4.03 -0.43 0.98 0.04 -1.26 -4.86 135.00 134.28 2ckj s PRO 579 Ca 0.30 2.38 -0.38 0.00 0.04 0.00 0.00 61.00 63.34 2ckj s PRO 579 Cb -0.16 -2.87 -0.17 0.00 0.04 0.00 0.00 34.50 31.34 2ckj s PRO 579 CO 0.13 -0.53 1.78 1.58 0.04 0.00 0.00 177.00 180.01 2ckj n HIS 580 N 0.30 1.08 0.12 0.56 -0.00 -1.26 -4.75 115.22 111.27 2ckj n HIS 580 Ca 0.02 0.71 0.00 0.00 -0.00 0.00 0.00 57.72 58.46 2ckj n HIS 580 Cb 0.41 -1.98 0.00 0.00 -0.00 0.00 0.00 29.99 28.43 2ckj n HIS 580 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2ckj n LEU 581 N 6.05 0.00 -0.63 0.27 4.77 -1.26 -1.03 117.00 125.17 2ckj n LEU 581 Ca 0.45 0.18 0.03 0.00 -0.03 0.00 0.00 56.01 56.64 2ckj n LEU 581 Cb -0.04 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.10 2ckj n LEU 581 CO 0.76 -0.18 0.28 0.00 -1.33 0.00 0.00 177.39 176.92 2ckj n ALA 582 N -0.93 2.26 0.19 -1.18 0.00 -1.26 -4.86 120.51 114.73 2ckj n ALA 582 Ca 0.00 -1.79 0.05 0.00 0.00 0.00 0.00 53.44 51.70 2ckj n ALA 582 Cb 0.51 -0.51 0.39 0.00 0.00 0.00 0.00 19.45 19.84 2ckj n ALA 582 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckj h ALA 583 N 0.29 1.18 0.12 0.00 0.00 -1.42 -1.23 119.26 118.20 2ckj h ALA 583 Ca -0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2ckj h ALA 583 Cb 1.39 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2ckj h ALA 583 CO 0.02 0.44 -0.06 -0.44 0.00 0.00 0.00 179.25 179.22 2ckj h ASP 584 N 0.00 -0.13 0.11 0.00 5.19 -1.89 -0.64 116.42 119.05 2ckj h ASP 584 Ca -0.00 -0.29 -0.01 0.00 -0.62 0.00 0.00 57.03 56.10 2ckj h ASP 584 Cb 0.74 0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.28 2ckj h ASP 584 CO 0.05 0.23 -0.06 0.24 -3.12 0.00 0.00 179.24 176.58 2ckj h MET 585 N -0.52 0.00 -0.20 3.56 2.86 -1.94 0.30 114.93 118.99 2ckj h MET 585 Ca -0.02 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.47 2ckj h MET 585 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 2ckj h MET 585 CO 0.03 0.06 -0.46 1.96 1.06 0.00 0.00 176.91 179.56 2ckj h GLN 586 N 0.00 0.67 0.00 1.72 4.20 -0.79 -2.36 115.11 118.55 2ckj h GLN 586 Ca -0.00 -0.45 0.00 0.00 0.06 0.00 0.00 58.65 58.26 2ckj h GLN 586 Cb 0.14 0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2ckj h GLN 586 CO 0.01 1.07 0.00 0.00 -0.67 0.00 0.00 178.83 179.24 2ckj n ALA 587 N -2.54 2.09 0.32 3.87 0.00 -0.29 -2.47 120.51 121.49 2ckj n ALA 587 Ca -0.06 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.41 2ckj n ALA 587 Cb 0.57 -1.41 0.12 0.00 0.00 0.00 0.00 19.45 18.73 2ckj n ALA 587 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ckj n SER 588 N -1.79 2.68 0.00 0.00 3.41 0.94 -4.77 113.62 114.09 2ckj n SER 588 Ca 0.05 -1.78 0.00 0.00 -0.26 0.00 0.00 58.87 56.88 2ckj n SER 588 Cb 0.31 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2ckj n SER 588 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ckj n GLY 589 N 0.90 2.91 0.23 5.00 0.00 -1.03 -4.62 105.19 108.57 2ckj n GLY 589 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 2ckj n GLY 589 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2ckj h GLU 590 N 1.59 0.00 -5.33 1.61 4.11 -1.71 -3.43 114.58 111.42 2ckj h GLU 590 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 58.86 2ckj h GLU 590 Cb 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 2ckj h GLU 590 CO 0.00 0.16 1.63 0.00 0.07 0.00 0.00 179.01 180.86 2ckj n ALA 591 N -2.17 0.34 -2.08 1.06 0.00 -0.94 -4.92 120.51 111.81 2ckj n ALA 591 Ca 0.01 -0.20 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 2ckj n ALA 591 Cb 0.45 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.57 2ckj n ALA 591 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ckj s VAL 592 N 8.39 3.18 -0.05 0.00 1.01 -1.26 -4.94 120.40 126.73 2ckj s VAL 592 Ca 1.28 0.89 -0.09 0.00 0.00 0.00 0.00 61.98 64.07 2ckj s VAL 592 Cb -1.23 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 31.55 2ckj s VAL 592 CO 0.52 0.10 -0.18 -1.22 0.00 0.00 0.00 175.10 174.31 2ckj n TYR 593 N 3.37 0.00 0.00 5.22 4.01 -1.26 -4.81 117.16 123.68 2ckj n TYR 593 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 2ckj n TYR 593 Cb 0.42 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 2ckj n TYR 593 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ckj n ASP 595 N -1.19 0.53 0.00 0.00 2.03 -1.26 -2.53 116.55 114.13 2ckj n ASP 595 Ca 0.00 -1.01 0.00 0.00 0.52 0.00 0.00 54.79 54.30 2ckj n ASP 595 Cb 0.00 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 2ckj n ASP 595 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2ckj n ASP 596 N 1.80 0.75 -4.70 1.67 8.00 -1.26 -4.96 116.55 117.84 2ckj n ASP 596 Ca 0.00 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 2ckj n ASP 596 Cb 0.05 0.14 -0.04 0.00 -0.02 0.00 0.00 41.12 41.25 2ckj n ASP 596 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ckj s ILE 597 N -0.41 4.99 0.26 0.53 -1.09 -1.05 -4.78 121.20 119.65 2ckj s ILE 597 Ca 0.00 1.54 -0.26 0.00 -2.23 0.00 0.00 60.65 59.70 2ckj s ILE 597 Cb 0.00 -4.09 -0.16 0.00 -1.58 0.00 0.00 42.46 36.63 2ckj s ILE 597 CO 0.00 0.18 0.49 -0.81 -1.23 0.00 0.00 174.94 173.57 2ckj n PRO 598 N 4.21 0.18 -2.34 2.79 -0.04 -1.26 -4.97 135.00 133.56 2ckj n PRO 598 Ca 0.01 0.06 -0.40 0.00 -0.04 0.00 0.00 63.50 63.13 2ckj n PRO 598 Cb 0.51 -1.12 -0.03 0.00 -0.04 0.00 0.00 33.50 32.81 2ckj n PRO 598 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2ckj s ARG 599 N -1.10 4.53 0.80 0.54 3.00 -1.26 -5.02 118.95 120.45 2ckj s ARG 599 Ca 0.62 1.95 -0.11 0.00 -1.00 0.00 0.00 55.73 57.20 2ckj s ARG 599 Cb -0.83 -3.15 0.07 0.00 0.00 0.00 0.00 34.95 31.04 2ckj s ARG 599 CO 0.58 0.05 1.09 0.71 0.00 0.00 0.00 175.30 177.73 2ckj s TYR 600 N -1.08 2.64 -1.67 5.12 1.51 -1.26 -4.91 117.35 117.70 2ckj s TYR 600 Ca 0.47 1.36 0.23 0.00 -1.01 0.00 0.00 57.07 58.12 2ckj s TYR 600 Cb -0.35 -3.07 1.28 0.00 -0.11 0.00 0.00 41.96 39.71 2ckj s TYR 600 CO 0.45 -1.87 1.77 -0.85 -1.11 0.00 0.00 175.55 173.94 2ckj n GLU 601 N -3.55 0.51 -0.56 -0.62 0.28 -1.26 -2.76 120.64 112.69 2ckj n GLU 601 Ca 0.08 0.04 0.04 0.00 -0.16 0.00 0.00 57.16 57.16 2ckj n GLU 601 Cb 0.54 -1.50 0.20 0.00 1.43 0.00 0.00 31.44 32.11 2ckj n GLU 601 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2ckj n ASN 602 N -1.16 2.10 -4.73 -1.84 6.94 -1.26 -5.10 115.26 110.20 2ckj n ASN 602 Ca 0.14 -3.70 -0.37 0.00 -0.02 0.00 0.00 54.58 50.63 2ckj n ASN 602 Cb 0.14 -0.54 -0.07 0.00 -2.36 0.00 0.00 39.78 36.95 2ckj n ASN 602 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 2ckj s GLU 603 N -3.16 4.26 0.30 -3.83 2.12 -1.11 -4.64 118.70 112.63 2ckj s GLU 603 Ca 0.39 0.25 0.05 0.00 0.36 0.00 0.00 54.97 56.01 2ckj s GLU 603 Cb 0.36 -3.41 -0.02 0.00 0.26 0.00 0.00 34.13 31.32 2ckj s GLU 603 CO -0.03 0.24 0.44 -0.51 -0.54 0.00 0.00 175.26 174.87 2ckj s LEU 604 N 0.41 4.12 -0.12 2.70 1.43 -0.40 -4.94 118.68 121.89 2ckj s LEU 604 Ca 0.20 0.06 -0.07 0.00 -1.03 0.00 0.00 54.13 53.29 2ckj s LEU 604 Cb -0.14 -2.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.13 2ckj s LEU 604 CO 0.07 -0.26 0.15 -0.44 0.23 0.00 0.00 176.35 176.10 2ckj s SER 605 N -4.06 6.39 0.41 2.29 0.01 -0.59 -1.18 113.70 116.97 2ckj s SER 605 Ca 0.39 0.47 0.04 0.00 1.31 0.00 0.00 55.95 58.16 2ckj s SER 605 Cb -0.09 -2.08 0.04 0.00 0.21 0.00 0.00 66.02 64.10 2ckj s SER 605 CO 0.31 0.39 0.36 -0.11 0.41 0.00 0.00 173.24 174.60 2ckj n LEU 606 N 2.09 0.00 0.00 2.44 0.00 -0.26 -1.54 117.00 119.73 2ckj n LEU 606 Ca -0.19 -2.08 0.00 0.00 0.00 0.00 0.00 56.01 53.73 2ckj n LEU 606 Cb 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 43.42 43.89 2ckj n LEU 606 CO 0.32 -0.53 0.00 -1.14 0.00 0.00 0.00 177.39 176.04 2ckj n ARG 607 N -1.54 0.00 -4.34 1.96 0.63 -1.24 -4.81 116.66 107.32 2ckj n ARG 607 Ca 0.01 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.70 2ckj n ARG 607 Cb 0.46 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.25 2ckj n ARG 607 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 2ckj s LEU 608 N 0.00 2.38 -0.16 6.15 2.34 -1.26 -1.71 118.68 126.42 2ckj s LEU 608 Ca 0.00 -0.80 -0.02 0.00 0.06 0.00 0.00 54.13 53.38 2ckj s LEU 608 Cb 0.00 -0.94 -0.01 0.00 -0.56 0.00 0.00 46.19 44.68 2ckj s LEU 608 CO 0.00 0.04 -0.10 -0.69 -1.06 0.00 0.00 176.35 174.54 2ckj s VAL 609 N -1.62 3.18 -0.01 1.48 1.01 0.03 -4.95 120.40 119.52 2ckj s VAL 609 Ca 0.14 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.52 2ckj s VAL 609 Cb -0.08 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.94 2ckj s VAL 609 CO 0.06 0.49 0.01 0.42 0.00 0.00 0.00 175.10 176.09 2ckj s THR 610 N 0.74 0.01 0.03 3.92 -4.23 -1.26 -2.00 115.64 112.84 2ckj s THR 610 Ca -0.04 0.11 -0.39 0.00 -1.18 0.00 0.00 61.69 60.19 2ckj s THR 610 Cb -0.15 -0.09 -0.18 0.00 1.34 0.00 0.00 72.50 73.41 2ckj s THR 610 CO 0.02 0.07 1.22 -0.24 -0.54 0.00 0.00 174.62 175.14 2ckj n SER 611 N 3.75 0.82 -0.85 3.99 2.88 -0.80 -4.91 113.62 118.51 2ckj n SER 611 Ca -0.22 1.14 0.11 0.00 -1.33 0.00 0.00 58.87 58.57 2ckj n SER 611 Cb 0.54 -1.05 0.09 0.00 -0.75 0.00 0.00 64.21 63.04 2ckj n SER 611 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2ckj n THR 612 N 2.07 0.00 -4.41 2.46 -2.24 -1.26 -3.57 114.28 107.32 2ckj n THR 612 Ca 0.20 -0.50 -0.24 0.00 -2.27 0.00 0.00 64.05 61.24 2ckj n THR 612 Cb 0.13 1.44 -0.09 0.00 -2.10 0.00 0.00 70.33 69.71 2ckj n THR 612 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2ckj s ARG 613 N -1.78 1.91 0.00 -0.78 1.81 -1.26 -5.06 118.95 113.79 2ckj s ARG 613 Ca 0.25 -1.70 0.06 0.00 -1.72 0.00 0.00 55.73 52.63 2ckj s ARG 613 Cb 0.18 -1.88 -0.24 0.00 -0.45 0.00 0.00 34.95 32.55 2ckj s ARG 613 CO 0.27 0.29 0.84 0.00 -0.68 0.00 0.00 175.30 176.01 2ckj h ALA 614 N 2.08 0.54 -2.02 2.13 0.00 -1.81 -3.31 119.26 116.87 2ckj h ALA 614 Ca -0.42 -1.25 0.05 0.00 0.00 0.00 0.00 54.91 53.29 2ckj h ALA 614 Cb 1.25 0.30 -0.21 0.00 0.00 0.00 0.00 17.79 19.13 2ckj h ALA 614 CO 0.62 1.39 -0.18 -1.58 0.00 0.00 0.00 179.25 179.50 2ckj s HIS 615 N -2.63 -1.27 -0.08 0.00 5.65 -1.26 -3.60 115.29 112.11 2ckj s HIS 615 Ca -0.05 2.14 -0.31 0.00 0.25 0.00 0.00 55.06 57.09 2ckj s HIS 615 Cb 0.08 0.70 0.12 0.00 -1.18 0.00 0.00 32.58 32.30 2ckj s HIS 615 CO 0.83 -0.65 1.03 0.00 -0.65 0.00 0.00 174.74 175.29 2ckj s ALA 616 N 2.84 -1.93 0.73 1.58 0.00 -0.89 -2.69 121.76 121.41 2ckj s ALA 616 Ca -0.03 1.22 -0.09 0.00 0.00 0.00 0.00 51.96 53.06 2ckj s ALA 616 Cb -0.12 0.21 0.06 0.00 0.00 0.00 0.00 23.12 23.26 2ckj s ALA 616 CO -0.18 -0.67 1.07 0.21 0.00 0.00 0.00 175.76 176.20 2ckj s LYS 617 N -2.83 2.27 -0.38 0.00 2.20 0.92 -0.79 119.74 121.14 2ckj s LYS 617 Ca 0.07 -0.00 0.02 0.00 -0.36 0.00 0.00 55.97 55.70 2ckj s LYS 617 Cb -0.01 -2.08 0.11 0.00 -1.51 0.00 0.00 37.83 34.34 2ckj s LYS 617 CO -0.07 -1.29 0.15 -1.50 -0.36 0.00 0.00 175.35 172.28 2ckj s ILE 618 N -3.36 1.52 0.07 5.43 2.07 -0.43 -2.82 121.20 123.69 2ckj s ILE 618 Ca 0.60 -2.17 -0.14 0.00 -1.41 0.00 0.00 60.65 57.53 2ckj s ILE 618 Cb -0.11 -2.11 -0.23 0.00 0.13 0.00 0.00 42.46 40.15 2ckj s ILE 618 CO 0.47 -0.74 1.19 0.11 -1.91 0.00 0.00 174.94 174.06 2ckj h LYS 619 N 7.39 0.69 -1.93 3.50 1.79 -1.42 -3.47 116.57 123.13 2ckj h LYS 619 Ca -0.07 -0.73 0.29 0.00 -2.18 0.00 0.00 60.65 57.96 2ckj h LYS 619 Cb 0.98 0.20 -0.09 0.00 -1.58 0.00 0.00 32.23 31.74 2ckj h LYS 619 CO 0.51 1.31 0.78 -1.54 -1.08 0.00 0.00 179.45 179.43 2ckj s SER 620 N -7.23 -0.04 -0.13 0.86 1.04 -1.04 -4.99 113.70 102.16 2ckj s SER 620 Ca -0.10 -0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.06 2ckj s SER 620 Cb 0.07 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.45 2ckj s SER 620 CO 0.91 -0.47 -0.14 -0.63 0.98 0.00 0.00 173.24 173.90 2ckj s ILE 621 N -2.34 1.49 -0.30 -1.02 1.01 -1.26 -1.35 121.20 117.43 2ckj s ILE 621 Ca 0.20 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 2ckj s ILE 621 Cb 0.01 -1.39 0.05 0.00 0.01 0.00 0.00 42.46 41.14 2ckj s ILE 621 CO -0.01 0.44 -0.01 -0.62 0.00 0.00 0.00 174.94 174.75 2ckj s ASP 622 N 1.36 4.86 0.00 3.58 -1.08 -0.63 -4.97 116.67 119.79 2ckj s ASP 622 Ca 0.01 -1.31 0.26 0.00 -0.52 0.00 0.00 52.55 51.00 2ckj s ASP 622 Cb -0.13 -1.70 0.61 0.00 -1.46 0.00 0.00 42.92 40.24 2ckj s ASP 622 CO -0.08 -0.26 1.48 1.07 0.52 0.00 0.00 175.17 177.90 2ckj n THR 623 N 4.60 0.00 -0.03 1.71 5.66 -1.26 -1.49 114.28 123.47 2ckj n THR 623 Ca -0.13 -0.13 -0.16 0.00 -3.05 0.00 0.00 64.05 60.57 2ckj n THR 623 Cb 0.43 0.52 -0.08 0.00 -1.55 0.00 0.00 70.33 69.65 2ckj n THR 623 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 2ckj h SER 624 N 1.27 0.76 0.38 1.09 4.64 -1.93 -2.60 113.55 117.15 2ckj h SER 624 Ca 0.00 -0.63 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 2ckj h SER 624 Cb 0.54 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2ckj h SER 624 CO 0.00 1.26 0.00 -0.08 -0.87 0.00 0.00 176.83 177.14 2ckj h GLU 625 N 0.30 0.00 0.08 4.77 4.57 -1.79 -3.03 114.58 119.48 2ckj h GLU 625 Ca -0.04 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.02 2ckj h GLU 625 Cb 1.24 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.84 2ckj h GLU 625 CO 0.12 0.00 -0.53 0.00 -1.18 0.00 0.00 179.01 177.42 2ckj h ALA 626 N 2.02 -0.05 0.00 2.92 0.00 -1.53 -3.30 119.26 119.32 2ckj h ALA 626 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2ckj h ALA 626 Cb 0.19 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2ckj h ALA 626 CO 0.00 0.25 0.00 1.63 0.00 0.00 0.00 179.25 181.13 2ckj n LYS 627 N -4.29 0.11 0.08 0.00 5.02 -1.14 -0.01 118.16 117.92 2ckj n LYS 627 Ca -0.12 0.09 0.12 0.00 -2.02 0.00 0.00 58.31 56.38 2ckj n LYS 627 Cb 0.69 -1.50 0.24 0.00 -0.02 0.00 0.00 35.03 34.44 2ckj n LYS 627 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2ckj n LYS 628 N -1.11 0.29 -2.54 1.97 5.02 -1.24 -4.89 118.16 115.66 2ckj n LYS 628 Ca 0.03 0.13 -0.42 0.00 -2.02 0.00 0.00 58.31 56.03 2ckj n LYS 628 Cb 0.02 -1.73 -0.03 0.00 -0.02 0.00 0.00 35.03 33.27 2ckj n LYS 628 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2ckj s VAL 629 N -3.15 4.21 -0.02 -0.18 1.01 0.99 -5.01 120.40 118.25 2ckj s VAL 629 Ca 0.07 1.69 -0.38 0.00 0.00 0.00 0.00 61.98 63.36 2ckj s VAL 629 Cb 0.13 -4.08 -0.16 0.00 0.00 0.00 0.00 36.38 32.27 2ckj s VAL 629 CO 0.68 0.18 1.49 -2.65 0.00 0.00 0.00 175.10 174.80 2ckj n PRO 630 N 3.41 1.23 -1.05 2.72 -0.02 -1.26 -2.56 135.00 137.46 2ckj n PRO 630 Ca 0.06 0.44 -0.02 0.00 -2.02 0.00 0.00 63.50 61.97 2ckj n PRO 630 Cb 0.48 -2.11 -0.01 0.00 -0.02 0.00 0.00 33.50 31.84 2ckj n PRO 630 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ckj n GLY 631 N 3.11 0.52 3.70 -1.23 0.00 -1.26 -4.84 105.19 105.19 2ckj n GLY 631 Ca 0.21 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2ckj n GLY 631 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ckj s PHE 632 N -1.93 3.35 -0.24 1.61 5.36 -1.06 -1.46 117.98 123.60 2ckj s PHE 632 Ca 0.00 1.29 -0.10 0.00 -0.96 0.00 0.00 56.93 57.17 2ckj s PHE 632 Cb 0.00 -3.40 -0.16 0.00 -0.34 0.00 0.00 43.02 39.12 2ckj s PHE 632 CO 0.00 -1.20 -0.15 0.28 -1.46 0.00 0.00 175.22 172.69 2ckj n VAL 633 N 4.19 1.55 0.00 3.12 0.31 0.11 -5.00 118.33 122.61 2ckj n VAL 633 Ca 0.09 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 2ckj n VAL 633 Cb 0.47 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 2ckj n VAL 633 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ckj s PHE 635 N -2.00 3.06 -0.10 0.00 5.36 -1.26 -1.24 117.98 121.79 2ckj s PHE 635 Ca 0.00 -0.53 -0.22 0.00 -0.96 0.00 0.00 56.93 55.22 2ckj s PHE 635 Cb 0.00 -2.20 -0.04 0.00 -0.34 0.00 0.00 43.02 40.45 2ckj s PHE 635 CO 0.00 -0.39 0.64 -1.50 -1.46 0.00 0.00 175.22 172.51 2ckj s ILE 636 N 1.52 5.07 0.36 3.12 1.10 0.10 -4.92 121.20 127.55 2ckj s ILE 636 Ca 0.06 1.29 0.07 0.00 -0.51 0.00 0.00 60.65 61.56 2ckj s ILE 636 Cb -0.15 -3.97 -0.03 0.00 0.15 0.00 0.00 42.46 38.46 2ckj s ILE 636 CO 0.02 0.24 0.26 -0.94 -2.11 0.00 0.00 174.94 172.41 2ckj s SER 637 N 0.82 2.03 0.63 4.50 1.04 -1.26 -1.22 113.70 120.25 2ckj s SER 637 Ca 0.33 -1.78 0.35 0.00 0.48 0.00 0.00 55.95 55.33 2ckj s SER 637 Cb -0.17 0.58 1.89 0.00 0.10 0.00 0.00 66.02 68.42 2ckj s SER 637 CO 0.15 -1.06 2.06 0.00 0.98 0.00 0.00 173.24 175.36 2ckj h ALA 638 N 2.02 1.18 0.00 5.32 0.00 -1.80 0.40 119.26 126.39 2ckj h ALA 638 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2ckj h ALA 638 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2ckj h ALA 638 CO 0.39 -0.18 0.00 -0.25 0.00 0.00 0.00 179.25 179.21 2ckj n ASP 639 N -2.89 0.00 -0.00 0.00 10.43 -1.26 -3.78 116.55 119.04 2ckj n ASP 639 Ca -0.02 -1.16 0.07 0.00 2.57 0.00 0.00 54.79 56.24 2ckj n ASP 639 Cb 0.24 0.00 -0.10 0.00 1.84 0.00 0.00 41.12 43.10 2ckj n ASP 639 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 2ckj n ASP 640 N -0.86 1.37 -4.71 -2.24 8.00 0.13 -4.96 116.55 113.29 2ckj n ASP 640 Ca 0.16 -0.30 -0.42 0.00 0.71 0.00 0.00 54.79 54.94 2ckj n ASP 640 Cb 0.07 1.41 -0.03 0.00 -0.02 0.00 0.00 41.12 42.56 2ckj n ASP 640 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ckj s VAL 641 N -2.73 3.23 -1.72 2.53 0.11 -1.25 -4.93 120.40 115.64 2ckj s VAL 641 Ca -0.01 0.82 0.20 0.00 -2.93 0.00 0.00 61.98 60.05 2ckj s VAL 641 Cb 0.09 -3.53 0.57 0.00 -1.53 0.00 0.00 36.38 31.99 2ckj s VAL 641 CO 0.58 0.04 1.48 -0.81 -3.33 0.00 0.00 175.10 173.06 2ckj n PRO 642 N 4.45 2.78 0.00 1.54 -0.04 -1.26 -4.84 135.00 137.62 2ckj n PRO 642 Ca 0.13 -2.53 0.00 0.00 -0.04 0.00 0.00 63.50 61.06 2ckj n PRO 642 Cb 0.42 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 2ckj n PRO 642 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ckj n GLY 643 N 1.39 0.19 3.56 0.55 0.00 -0.57 -4.70 105.19 105.61 2ckj n GLY 643 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.23 2ckj n GLY 643 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ckj s SER 644 N 0.61 -1.13 0.00 1.61 0.15 -1.02 -4.84 113.70 109.08 2ckj s SER 644 Ca 0.00 1.44 0.22 0.00 0.70 0.00 0.00 55.95 58.32 2ckj s SER 644 Cb 0.00 2.23 1.32 0.00 -1.71 0.00 0.00 66.02 67.87 2ckj s SER 644 CO 0.00 -0.23 1.79 -3.20 1.20 0.00 0.00 173.24 172.81 2ckj n ASN 645 N 5.44 0.00 -4.24 5.45 5.15 -1.26 -4.41 115.26 121.39 2ckj n ASN 645 Ca -0.10 -1.12 -0.40 0.00 -0.60 0.00 0.00 54.58 52.36 2ckj n ASN 645 Cb 0.49 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.64 2ckj n ASN 645 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2ckj s ILE 646 N -2.00 4.10 0.00 -1.44 2.07 -1.26 -2.33 121.20 120.34 2ckj s ILE 646 Ca 0.33 -1.53 0.00 0.00 -1.41 0.00 0.00 60.65 58.04 2ckj s ILE 646 Cb 0.15 -3.57 0.00 0.00 0.13 0.00 0.00 42.46 39.18 2ckj s ILE 646 CO 0.26 -0.56 0.00 0.41 -1.91 0.00 0.00 174.94 173.13 2ckj n THR 647 N 4.88 0.00 -1.06 4.00 -1.04 -0.79 -4.99 114.28 115.27 2ckj n THR 647 Ca -0.09 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.06 2ckj n THR 647 Cb 0.42 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.89 2ckj n THR 647 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ckj n GLY 648 N 5.00 -2.19 0.01 3.41 0.00 -1.26 -3.18 105.19 106.98 2ckj n GLY 648 Ca 0.00 -1.23 0.09 0.00 0.00 0.00 0.00 46.02 44.89 2ckj n GLY 648 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2ckj n ILE 649 N -3.66 0.00 -1.85 -0.61 3.06 -1.26 -3.03 119.36 112.01 2ckj n ILE 649 Ca -0.02 -0.33 -0.25 0.00 -2.50 0.00 0.00 62.75 59.65 2ckj n ILE 649 Cb 0.49 0.32 0.04 0.00 0.54 0.00 0.00 39.64 41.03 2ckj n ILE 649 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2ckj n ASN 651 N -0.78 -0.83 -0.14 0.00 5.03 -1.17 -4.81 115.26 112.56 2ckj n ASN 651 Ca 0.47 0.42 -0.10 0.00 0.87 0.00 0.00 54.58 56.24 2ckj n ASN 651 Cb 0.90 -0.86 -0.01 0.00 -1.02 0.00 0.00 39.78 38.79 2ckj n ASN 651 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 2ckj h ASP 652 N 0.00 0.69 -2.19 6.41 3.32 -1.84 -3.46 116.42 119.35 2ckj h ASP 652 Ca 0.00 -0.28 -0.44 0.00 0.02 0.00 0.00 57.03 56.33 2ckj h ASP 652 Cb 0.83 -0.18 0.04 0.00 0.22 0.00 0.00 39.33 40.25 2ckj h ASP 652 CO 0.00 0.80 -0.06 -1.83 -1.72 0.00 0.00 179.24 176.43 2ckj s GLU 653 N -5.10 2.49 -0.26 3.56 -1.05 -1.19 -4.99 118.70 112.16 2ckj s GLU 653 Ca -0.13 -0.95 -0.04 0.00 -0.15 0.00 0.00 54.97 53.70 2ckj s GLU 653 Cb 0.10 -2.53 0.01 0.00 -0.44 0.00 0.00 34.13 31.27 2ckj s GLU 653 CO 0.79 -0.72 -0.01 0.95 0.95 0.00 0.00 175.26 177.22 2ckj s THR 654 N -2.72 3.39 0.25 1.83 -4.23 -1.26 -1.89 115.64 111.01 2ckj s THR 654 Ca 0.58 -0.76 -0.10 0.00 -1.18 0.00 0.00 61.69 60.23 2ckj s THR 654 Cb -0.10 -2.68 0.36 0.00 1.34 0.00 0.00 72.50 71.43 2ckj s THR 654 CO 0.38 0.22 1.59 0.58 -0.54 0.00 0.00 174.62 176.85 2ckj h VAL 655 N 5.92 0.15 -3.48 2.29 2.07 -1.82 -3.38 116.25 118.00 2ckj h VAL 655 Ca -0.35 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 66.85 2ckj h VAL 655 Cb 1.13 0.15 -0.35 0.00 -1.52 0.00 0.00 31.29 30.70 2ckj h VAL 655 CO 0.59 0.00 -0.74 -0.36 0.02 0.00 0.00 177.57 177.08 2ckj s PHE 656 N -6.25 0.15 0.34 1.57 2.99 -1.26 -4.89 117.98 110.63 2ckj s PHE 656 Ca -0.15 0.09 -0.25 0.00 0.00 0.00 0.00 56.93 56.62 2ckj s PHE 656 Cb 0.24 -0.35 -0.14 0.00 0.00 0.00 0.00 43.02 42.78 2ckj s PHE 656 CO 0.76 -0.12 0.76 0.00 -0.00 0.00 0.00 175.22 176.61 2ckj n ALA 657 N 4.33 -1.09 -3.74 5.36 0.00 -0.05 -4.61 120.51 120.71 2ckj n ALA 657 Ca -0.24 0.29 -0.31 0.00 0.00 0.00 0.00 53.44 53.18 2ckj n ALA 657 Cb 0.50 -1.87 -0.16 0.00 0.00 0.00 0.00 19.45 17.92 2ckj n ALA 657 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2ckj s LYS 658 N -1.52 2.73 0.00 0.00 2.20 -1.26 -4.53 119.74 117.36 2ckj s LYS 658 Ca 0.62 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 55.48 2ckj s LYS 658 Cb -0.68 -2.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.37 2ckj s LYS 658 CO 0.58 -0.07 0.00 -0.25 -0.36 0.00 0.00 175.35 175.26 2ckj n ASP 659 N 4.22 0.00 -3.66 1.43 8.00 -1.26 -4.86 116.55 120.42 2ckj n ASP 659 Ca -0.20 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.16 2ckj n ASP 659 Cb 0.51 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.53 2ckj n ASP 659 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2ckj s LYS 660 N 0.00 0.78 -0.09 -1.24 -2.85 -1.26 -1.32 119.74 113.76 2ckj s LYS 660 Ca 0.00 0.24 -0.05 0.00 -1.00 0.00 0.00 55.97 55.16 2ckj s LYS 660 Cb 0.00 0.36 -0.04 0.00 -2.06 0.00 0.00 37.83 36.10 2ckj s LYS 660 CO 0.00 -0.20 0.10 0.14 0.10 0.00 0.00 175.35 175.49 2ckj s VAL 661 N -0.80 5.09 -0.10 1.79 -7.23 0.03 -4.96 120.40 114.23 2ckj s VAL 661 Ca -0.09 -0.01 0.08 0.00 -1.81 0.00 0.00 61.98 60.16 2ckj s VAL 661 Cb -0.03 -3.22 -0.12 0.00 0.56 0.00 0.00 36.38 33.57 2ckj s VAL 661 CO 0.05 0.57 0.02 0.35 -0.31 0.00 0.00 175.10 175.78 2ckj n THR 662 N 1.87 0.66 -4.38 5.32 -2.24 -1.26 -2.10 114.28 112.15 2ckj n THR 662 Ca -0.18 -0.40 -0.17 0.00 -2.27 0.00 0.00 64.05 61.03 2ckj n THR 662 Cb 0.54 -0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 67.97 2ckj n THR 662 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ckj n VAL 664 N -0.65 1.80 0.00 0.00 0.31 -1.24 -4.43 118.33 114.12 2ckj n VAL 664 Ca -0.09 -0.55 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 2ckj n VAL 664 Cb 0.36 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 2ckj n VAL 664 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ckj n GLY 665 N 1.74 0.72 0.53 2.92 0.00 -1.23 -4.86 105.19 105.00 2ckj n GLY 665 Ca 0.06 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2ckj n GLY 665 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2ckj n HIS 666 N 0.00 0.00 -2.08 1.61 -0.00 -1.26 -4.15 115.22 109.34 2ckj n HIS 666 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.29 2ckj n HIS 666 Cb 0.00 -0.19 -0.03 0.00 -0.00 0.00 0.00 29.99 29.78 2ckj n HIS 666 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2ckj s ILE 667 N 0.00 3.67 -0.12 3.57 1.01 -1.26 -1.90 121.20 126.17 2ckj s ILE 667 Ca 0.00 0.79 0.17 0.00 0.00 0.00 0.00 60.65 61.60 2ckj s ILE 667 Cb 0.00 -3.60 -0.22 0.00 0.01 0.00 0.00 42.46 38.65 2ckj s ILE 667 CO 0.00 -0.17 0.48 -0.38 0.00 0.00 0.00 174.94 174.86 2ckj n ILE 668 N 5.97 1.26 -3.11 2.92 5.41 -0.85 -0.87 119.36 130.09 2ckj n ILE 668 Ca 0.18 -0.76 0.00 0.00 1.00 0.00 0.00 62.75 63.17 2ckj n ILE 668 Cb 0.44 -0.65 0.00 0.00 -0.71 0.00 0.00 39.64 38.72 2ckj n ILE 668 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ckj n GLY 669 N 1.55 -1.19 3.17 7.39 0.00 -1.09 -4.39 105.19 110.63 2ckj n GLY 669 Ca -0.19 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 2ckj n GLY 669 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ckj s ALA 670 N -1.00 -0.46 0.10 4.61 0.00 -0.35 -0.79 121.76 123.86 2ckj s ALA 670 Ca 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 51.96 51.94 2ckj s ALA 670 Cb 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 2ckj s ALA 670 CO 0.00 -0.28 0.05 0.14 0.00 0.00 0.00 175.76 175.67 2ckj s VAL 671 N -1.81 4.25 -0.17 0.00 -7.23 -0.69 -0.72 120.40 114.01 2ckj s VAL 671 Ca -0.11 -0.95 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 2ckj s VAL 671 Cb -0.05 -3.06 0.04 0.00 0.56 0.00 0.00 36.38 33.87 2ckj s VAL 671 CO 0.00 0.07 -0.08 -0.69 -0.31 0.00 0.00 175.10 174.09 2ckj s VAL 672 N -1.43 1.37 0.03 1.32 1.01 -0.37 -3.69 120.40 118.64 2ckj s VAL 672 Ca 0.28 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.50 2ckj s VAL 672 Cb -0.11 -1.46 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 2ckj s VAL 672 CO 0.20 0.20 0.01 0.00 0.00 0.00 0.00 175.10 175.51 2ckj n ALA 673 N 4.79 0.04 0.17 5.51 0.00 -0.59 0.05 120.51 130.48 2ckj n ALA 673 Ca -0.14 -0.15 0.09 0.00 0.00 0.00 0.00 53.44 53.24 2ckj n ALA 673 Cb 0.48 0.10 0.09 0.00 0.00 0.00 0.00 19.45 20.12 2ckj n ALA 673 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2ckj h ASP 674 N 0.11 0.00 -5.25 0.00 -0.00 -1.55 -1.56 116.42 108.16 2ckj h ASP 674 Ca -0.02 0.00 -0.17 0.00 -0.00 0.00 0.00 57.03 56.84 2ckj h ASP 674 Cb 0.09 0.00 -0.15 0.00 -0.00 0.00 0.00 39.33 39.27 2ckj h ASP 674 CO 0.04 0.15 -0.66 0.42 -0.00 0.00 0.00 179.24 179.18 2ckj s THR 675 N -3.16 0.22 -0.31 1.15 -4.23 -1.26 -4.60 115.64 103.44 2ckj s THR 675 Ca 0.04 -1.87 0.27 0.00 -1.18 0.00 0.00 61.69 58.95 2ckj s THR 675 Cb 0.07 -1.81 0.34 0.00 1.34 0.00 0.00 72.50 72.43 2ckj s THR 675 CO 0.72 -0.71 1.76 1.55 -0.54 0.00 0.00 174.62 177.40 2ckj h PRO 676 N 2.98 0.00 0.00 3.99 0.13 -1.93 -1.85 132.00 135.32 2ckj h PRO 676 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2ckj h PRO 676 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2ckj h PRO 676 CO 0.62 0.00 -0.74 0.93 -0.23 0.00 0.00 178.00 178.59 2ckj h GLU 677 N 0.00 0.00 -0.06 0.86 3.07 -1.98 0.23 114.58 116.69 2ckj h GLU 677 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.73 2ckj h GLU 677 Cb 0.76 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.66 2ckj h GLU 677 CO 0.00 0.00 -0.54 0.45 -1.40 0.00 0.00 179.01 177.52 2ckj h HIS 678 N 0.00 0.22 0.57 4.33 3.86 -1.82 -2.75 115.15 119.56 2ckj h HIS 678 Ca 0.00 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.11 2ckj h HIS 678 Cb 0.92 -0.04 0.01 0.00 1.06 0.00 0.00 27.41 29.36 2ckj h HIS 678 CO 0.00 0.67 -0.27 0.00 0.86 0.00 0.00 177.93 179.19 2ckj h THR 679 N 0.14 0.34 -0.89 2.45 1.03 -1.02 -1.15 112.91 113.81 2ckj h THR 679 Ca 0.00 -0.31 0.10 0.00 -0.01 0.00 0.00 66.41 66.20 2ckj h THR 679 Cb 0.99 0.44 -0.12 0.00 -1.07 0.00 0.00 68.15 68.39 2ckj h THR 679 CO 0.08 0.04 -0.45 0.00 -0.01 0.00 0.00 175.52 175.18 2ckj n GLN 680 N -5.34 -0.32 0.24 0.00 1.13 0.76 -2.32 117.38 111.54 2ckj n GLN 680 Ca -0.12 1.35 0.09 0.00 -1.94 0.00 0.00 57.00 56.38 2ckj n GLN 680 Cb 0.34 -1.99 0.58 0.00 0.11 0.00 0.00 30.24 29.28 2ckj n GLN 680 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ckj h ARG 681 N 0.00 0.00 0.17 -1.09 3.08 -1.41 -3.24 114.38 111.89 2ckj h ARG 681 Ca 0.21 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 2ckj h ARG 681 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2ckj h ARG 681 CO -0.85 0.19 -0.08 0.00 -1.07 0.00 0.00 179.97 178.16 2ckj h ALA 682 N 1.81 -0.40 0.00 0.04 0.00 -0.85 -2.83 119.26 117.02 2ckj h ALA 682 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ckj h ALA 682 Cb 0.42 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2ckj h ALA 682 CO 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 179.25 178.89 2ckj n ALA 683 N -2.36 0.00 -0.08 0.00 0.00 -0.98 -2.72 120.51 114.37 2ckj n ALA 683 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.28 2ckj n ALA 683 Cb 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.49 2ckj n ALA 683 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2ckj n GLN 684 N -1.18 0.43 0.00 0.00 -0.06 -1.07 -3.62 117.38 111.88 2ckj n GLN 684 Ca 0.00 0.18 0.00 0.00 -2.00 0.00 0.00 57.00 55.18 2ckj n GLN 684 Cb 0.00 -1.24 0.00 0.00 -4.06 0.00 0.00 30.24 24.94 2ckj n GLN 684 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2ckj n GLY 685 N 1.81 0.00 3.69 1.69 0.00 -1.10 -4.74 105.19 106.53 2ckj n GLY 685 Ca -0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 2ckj n GLY 685 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ckj s VAL 686 N 0.00 5.08 -0.15 1.61 0.11 -1.13 -3.67 120.40 122.25 2ckj s VAL 686 Ca 0.00 1.16 -0.00 0.00 -2.93 0.00 0.00 61.98 60.21 2ckj s VAL 686 Cb 0.00 -3.92 0.03 0.00 -1.53 0.00 0.00 36.38 30.96 2ckj s VAL 686 CO 0.00 0.20 -0.09 -0.75 -3.33 0.00 0.00 175.10 171.13 2ckj s LYS 687 N 1.33 1.75 0.05 1.54 2.20 -0.56 -4.97 119.74 121.08 2ckj s LYS 687 Ca 0.29 -0.49 0.04 0.00 -0.36 0.00 0.00 55.97 55.45 2ckj s LYS 687 Cb -0.16 -1.96 -0.04 0.00 -1.51 0.00 0.00 37.83 34.16 2ckj s LYS 687 CO 0.12 -0.34 -0.01 0.96 -0.36 0.00 0.00 175.35 175.72 2ckj s ILE 688 N 1.59 4.00 -0.14 5.43 -0.00 -1.26 -1.60 121.20 129.21 2ckj s ILE 688 Ca 0.03 -0.85 -0.00 0.00 -0.00 0.00 0.00 60.65 59.83 2ckj s ILE 688 Cb -0.14 -2.85 0.03 0.00 -0.00 0.00 0.00 42.46 39.50 2ckj s ILE 688 CO -0.09 0.23 -0.09 0.42 -0.00 0.00 0.00 174.94 175.41 2ckj s THR 689 N -1.20 1.28 0.01 8.37 -4.23 -0.46 -5.00 115.64 114.41 2ckj s THR 689 Ca 0.23 -0.53 0.05 0.00 -1.18 0.00 0.00 61.69 60.25 2ckj s THR 689 Cb -0.12 -1.29 -0.03 0.00 1.34 0.00 0.00 72.50 72.40 2ckj s THR 689 CO 0.14 0.33 -0.13 -0.31 -0.54 0.00 0.00 174.62 174.11 2ckj s TYR 690 N 1.59 2.70 -0.25 3.99 1.51 -1.26 -1.06 117.35 124.57 2ckj s TYR 690 Ca 0.04 -0.16 -0.08 0.00 -1.01 0.00 0.00 57.07 55.85 2ckj s TYR 690 Cb -0.14 -1.54 -0.03 0.00 -0.11 0.00 0.00 41.96 40.14 2ckj s TYR 690 CO -0.09 0.29 0.10 -2.00 -1.11 0.00 0.00 175.55 172.73 2ckj s GLU 691 N -1.32 3.74 -0.54 -0.62 2.12 -1.13 -4.93 118.70 116.03 2ckj s GLU 691 Ca 0.15 -0.43 -0.19 0.00 0.36 0.00 0.00 54.97 54.86 2ckj s GLU 691 Cb -0.11 -3.40 0.08 0.00 0.26 0.00 0.00 34.13 30.97 2ckj s GLU 691 CO 0.05 -0.16 0.63 -2.00 -0.54 0.00 0.00 175.26 173.25 2ckj s GLU 692 N 1.58 3.07 1.17 4.30 2.12 -1.26 -0.06 118.70 129.62 2ckj s GLU 692 Ca 0.06 -1.17 -0.17 0.00 0.36 0.00 0.00 54.97 54.06 2ckj s GLU 692 Cb -0.15 -4.19 0.27 0.00 0.26 0.00 0.00 34.13 30.32 2ckj s GLU 692 CO 0.05 -1.35 1.07 -0.51 -0.54 0.00 0.00 175.26 173.98 2ckj s LEU 693 N 2.51 0.74 0.42 2.70 1.02 -1.09 -4.95 118.68 120.03 2ckj s LEU 693 Ca 0.12 0.92 -0.10 0.00 0.02 0.00 0.00 54.13 55.08 2ckj s LEU 693 Cb -0.22 -2.76 -0.06 0.00 0.02 0.00 0.00 46.19 43.16 2ckj s LEU 693 CO 0.08 -4.00 0.79 -2.16 0.02 0.00 0.00 176.35 171.08 2ckj s PRO 694 N -5.12 3.76 -0.04 1.29 0.04 -1.26 -4.66 135.00 129.01 2ckj s PRO 694 Ca 0.69 0.48 0.01 0.00 0.04 0.00 0.00 61.00 62.21 2ckj s PRO 694 Cb -0.15 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 2ckj s PRO 694 CO 0.58 -0.08 -0.03 0.00 0.04 0.00 0.00 177.00 177.51 2ckj s ALA 695 N -2.45 3.16 -0.20 8.56 0.00 -1.26 -4.89 121.76 124.67 2ckj s ALA 695 Ca 0.51 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 51.51 2ckj s ALA 695 Cb -0.10 -1.31 -0.02 0.00 0.00 0.00 0.00 23.12 21.68 2ckj s ALA 695 CO 0.33 0.61 0.01 0.42 0.00 0.00 0.00 175.76 177.13 2ckj s ILE 696 N -0.95 4.00 0.02 0.00 1.01 -1.26 -4.99 121.20 119.03 2ckj s ILE 696 Ca 0.16 -0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.50 2ckj s ILE 696 Cb -0.11 -2.81 -0.01 0.00 0.01 0.00 0.00 42.46 39.54 2ckj s ILE 696 CO 0.06 0.42 -0.03 -0.38 0.00 0.00 0.00 174.94 175.01 2ckj n ILE 697 N 4.30 0.57 -1.39 2.92 5.41 -1.26 -1.07 119.36 128.84 2ckj n ILE 697 Ca -0.17 0.21 -0.33 0.00 1.00 0.00 0.00 62.75 63.47 2ckj n ILE 697 Cb 0.52 -1.38 0.09 0.00 -0.71 0.00 0.00 39.64 38.15 2ckj n ILE 697 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2ckj s THR 698 N -1.52 2.78 0.13 1.39 -1.32 -1.26 -4.66 115.64 111.17 2ckj s THR 698 Ca -0.02 0.33 -0.28 0.00 -1.21 0.00 0.00 61.69 60.51 2ckj s THR 698 Cb 0.00 -2.78 -0.04 0.00 -1.51 0.00 0.00 72.50 68.17 2ckj s THR 698 CO 0.04 -0.26 1.60 0.40 -2.21 0.00 0.00 174.62 174.19 2ckj h ILE 699 N -0.59 0.23 -2.70 5.08 1.08 -1.97 -3.32 117.51 115.32 2ckj h ILE 699 Ca -0.46 0.00 -0.45 0.00 -0.39 0.00 0.00 64.86 63.56 2ckj h ILE 699 Cb 1.26 0.23 0.23 0.00 -3.07 0.00 0.00 36.82 35.47 2ckj h ILE 699 CO 0.50 0.00 -0.61 -1.84 -0.69 0.00 0.00 178.15 175.51 2ckj n GLU 700 N -5.43 -2.05 0.00 2.37 0.00 -1.26 -2.93 120.64 111.35 2ckj n GLU 700 Ca -0.04 -0.58 0.00 0.00 0.00 0.00 0.00 57.16 56.54 2ckj n GLU 700 Cb 0.34 -1.91 0.00 0.00 0.00 0.00 0.00 31.44 29.88 2ckj n GLU 700 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2ckj n ASP 701 N -3.17 0.00 0.00 -1.84 8.00 -1.26 -4.59 116.55 113.69 2ckj n ASP 701 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 2ckj n ASP 701 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 2ckj n ASP 701 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ckj n ALA 702 N 7.83 0.00 0.04 2.24 0.00 -1.25 -1.45 120.51 127.92 2ckj n ALA 702 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2ckj n ALA 702 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2ckj n ALA 702 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2ckj h ILE 703 N 0.00 0.00 0.00 0.00 2.04 -1.78 0.93 117.51 118.70 2ckj h ILE 703 Ca 0.00 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2ckj h ILE 703 Cb 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 2ckj h ILE 703 CO 0.00 0.00 0.70 1.17 0.00 0.00 0.00 178.15 180.02 2ckj n LYS 704 N -2.27 0.02 -0.00 2.37 4.81 -0.53 0.14 118.16 122.70 2ckj n LYS 704 Ca -0.01 0.64 0.01 0.00 -0.87 0.00 0.00 58.31 58.08 2ckj n LYS 704 Cb 0.04 -1.83 0.01 0.00 0.02 0.00 0.00 35.03 33.27 2ckj n LYS 704 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2ckj n ASN 705 N -1.86 1.19 -3.16 3.14 3.02 -0.96 -4.95 115.26 111.69 2ckj n ASN 705 Ca 0.00 -1.10 -0.08 0.00 -0.03 0.00 0.00 54.58 53.37 2ckj n ASN 705 Cb 0.70 -0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.87 2ckj n ASN 705 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2ckj n ASN 706 N 0.12 -6.67 0.00 6.41 5.15 0.36 -4.96 115.26 115.67 2ckj n ASN 706 Ca 0.01 0.47 0.00 0.00 -0.60 0.00 0.00 54.58 54.46 2ckj n ASN 706 Cb 0.06 -2.38 0.00 0.00 -0.53 0.00 0.00 39.78 36.92 2ckj n ASN 706 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2ckj n SER 707 N 0.84 0.00 -4.45 1.20 7.64 0.15 -4.98 113.62 114.01 2ckj n SER 707 Ca -0.01 0.24 -0.34 0.00 1.01 0.00 0.00 58.87 59.77 2ckj n SER 707 Cb 0.45 -0.09 -0.13 0.00 -1.01 0.00 0.00 64.21 63.43 2ckj n SER 707 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2ckj s PHE 708 N -0.52 2.96 -0.46 1.43 -0.12 -1.26 -4.96 117.98 115.05 2ckj s PHE 708 Ca 0.00 -0.43 -0.25 0.00 -0.05 0.00 0.00 56.93 56.21 2ckj s PHE 708 Cb 0.00 -1.94 0.04 0.00 -0.63 0.00 0.00 43.02 40.49 2ckj s PHE 708 CO 0.00 -0.11 0.54 0.66 -0.05 0.00 0.00 175.22 176.26 2ckj n TYR 709 N 3.61 -2.10 -0.65 3.49 4.02 -1.25 -4.62 117.16 119.66 2ckj n TYR 709 Ca -0.18 0.88 0.07 0.00 -0.01 0.00 0.00 57.90 58.66 2ckj n TYR 709 Cb 0.52 -1.67 -0.02 0.00 -0.02 0.00 0.00 39.34 38.16 2ckj n TYR 709 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ckj n GLY 710 N -0.49 -0.76 3.75 2.72 0.00 -1.26 -4.37 105.19 104.78 2ckj n GLY 710 Ca -0.13 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 2ckj n GLY 710 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ckj s PRO 711 N -2.22 4.84 -0.19 1.61 0.04 -1.26 -4.71 135.00 133.10 2ckj s PRO 711 Ca 0.00 1.52 -0.40 0.00 0.04 0.00 0.00 61.00 62.16 2ckj s PRO 711 Cb 0.00 -3.27 -0.18 0.00 0.04 0.00 0.00 34.50 31.09 2ckj s PRO 711 CO 0.00 0.49 1.19 -0.85 0.04 0.00 0.00 177.00 177.87 2ckj n GLU 712 N 1.46 0.00 -2.91 4.56 0.28 -1.26 -4.95 120.64 117.81 2ckj n GLU 712 Ca -0.02 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.64 2ckj n GLU 712 Cb 0.47 -1.38 -0.07 0.00 1.43 0.00 0.00 31.44 31.89 2ckj n GLU 712 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2ckj s LEU 713 N 1.16 4.12 0.03 -1.84 1.02 -0.81 -4.90 118.68 117.46 2ckj s LEU 713 Ca 0.89 1.61 -0.27 0.00 0.02 0.00 0.00 54.13 56.39 2ckj s LEU 713 Cb -1.26 -4.19 0.06 0.00 0.02 0.00 0.00 46.19 40.82 2ckj s LEU 713 CO 0.62 -0.20 0.61 -1.59 0.02 0.00 0.00 176.35 175.81 2ckj s LYS 714 N -2.70 1.10 -0.05 1.70 -2.85 -1.26 -1.07 119.74 114.61 2ckj s LYS 714 Ca 0.55 -0.06 0.04 0.00 -1.00 0.00 0.00 55.97 55.50 2ckj s LYS 714 Cb -0.13 0.51 -0.00 0.00 -2.06 0.00 0.00 37.83 36.16 2ckj s LYS 714 CO 0.18 -0.40 -0.17 0.42 0.10 0.00 0.00 175.35 175.48 2ckj s ILE 715 N -2.16 1.46 -0.02 3.79 1.01 0.18 -4.99 121.20 120.46 2ckj s ILE 715 Ca -0.07 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 59.90 2ckj s ILE 715 Cb -0.01 -1.26 -0.00 0.00 0.01 0.00 0.00 42.46 41.20 2ckj s ILE 715 CO 0.01 0.42 -0.13 -1.61 0.00 0.00 0.00 174.94 173.63 2ckj s GLU 716 N 0.15 1.23 -0.05 2.79 2.02 -1.26 -2.21 118.70 121.37 2ckj s GLU 716 Ca -0.07 -0.46 -0.16 0.00 0.02 0.00 0.00 54.97 54.30 2ckj s GLU 716 Cb -0.13 -1.14 0.03 0.00 0.10 0.00 0.00 34.13 32.99 2ckj s GLU 716 CO 0.03 0.23 0.36 0.21 0.02 0.00 0.00 175.26 176.11 2ckj s LYS 717 N -0.07 0.66 6.97 1.61 2.20 -1.11 -5.05 119.74 124.95 2ckj s LYS 717 Ca 0.00 0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.62 2ckj s LYS 717 Cb -0.08 0.30 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 2ckj s LYS 717 CO 0.00 -0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.23 2ckj n GLY 718 N 1.58 1.53 0.00 5.54 0.00 -1.26 -1.87 105.19 110.72 2ckj n GLY 718 Ca -0.20 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2ckj n GLY 718 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ckj n ASP 719 N 7.49 0.00 0.00 1.61 2.03 -1.26 -4.99 116.55 121.43 2ckj n ASP 719 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2ckj n ASP 719 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2ckj n ASP 719 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2ckj n LEU 720 N 0.00 0.00 -0.34 -2.67 -0.00 -1.26 -4.52 117.00 108.21 2ckj n LEU 720 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.14 2ckj n LEU 720 Cb 0.00 0.00 0.25 0.00 -0.00 0.00 0.00 43.42 43.67 2ckj n LEU 720 CO 0.00 0.00 0.75 1.17 -0.00 0.00 0.00 177.39 179.31 2ckj n LYS 721 N 0.00 -0.08 0.00 1.96 3.00 -1.26 -2.60 118.16 119.18 2ckj n LYS 721 Ca 0.00 1.48 0.00 0.00 -0.00 0.00 0.00 58.31 59.79 2ckj n LYS 721 Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 35.03 32.72 2ckj n LYS 721 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2ckj n LYS 722 N -5.49 0.00 -0.77 1.64 4.81 -1.26 -3.82 118.16 113.27 2ckj n LYS 722 Ca 0.21 0.66 -0.33 0.00 -0.87 0.00 0.00 58.31 57.98 2ckj n LYS 722 Cb 0.69 -1.38 0.13 0.00 0.02 0.00 0.00 35.03 34.50 2ckj n LYS 722 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ckj n GLY 723 N -0.95 -2.15 3.11 3.14 0.00 -1.07 -1.45 105.19 105.82 2ckj n GLY 723 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2ckj n GLY 723 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ckj n PHE 724 N -3.79 0.00 -0.35 1.61 0.99 -1.26 -4.36 117.46 110.30 2ckj n PHE 724 Ca 0.05 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.55 2ckj n PHE 724 Cb 0.56 0.00 0.22 0.00 -1.00 0.00 0.00 39.48 39.26 2ckj n PHE 724 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2ckj h SER 725 N 0.00 0.96 -0.27 4.37 4.64 -1.65 -3.12 113.55 118.47 2ckj h SER 725 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2ckj h SER 725 Cb 0.00 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 2ckj h SER 725 CO 0.00 0.57 0.00 -0.62 -0.87 0.00 0.00 176.83 175.91 2ckj n GLU 726 N -4.54 1.88 -4.27 4.77 1.02 -0.53 -4.95 120.64 114.02 2ckj n GLU 726 Ca 0.16 -1.08 -0.23 0.00 -0.02 0.00 0.00 57.16 56.00 2ckj n GLU 726 Cb 0.26 -1.37 -0.12 0.00 -0.02 0.00 0.00 31.44 30.19 2ckj n GLU 726 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ckj s ALA 727 N -1.63 1.72 -0.15 0.62 0.00 -1.18 -4.99 121.76 116.15 2ckj s ALA 727 Ca 0.20 -1.24 -0.24 0.00 0.00 0.00 0.00 51.96 50.68 2ckj s ALA 727 Cb 0.12 -0.21 -0.25 0.00 0.00 0.00 0.00 23.12 22.78 2ckj s ALA 727 CO 0.11 0.31 0.58 -0.44 0.00 0.00 0.00 175.76 176.32 2ckj h ASP 728 N 3.99 0.10 -4.30 0.00 3.45 -1.85 -3.46 116.42 114.36 2ckj h ASP 728 Ca -0.45 -0.82 -0.53 0.00 0.43 0.00 0.00 57.03 55.66 2ckj h ASP 728 Cb 1.19 -0.03 -0.28 0.00 -0.56 0.00 0.00 39.33 39.64 2ckj h ASP 728 CO 0.41 1.29 -0.83 0.20 -1.57 0.00 0.00 179.24 178.74 2ckj s ASN 729 N -6.61 2.02 -0.26 6.45 0.01 -0.81 -5.02 114.94 110.71 2ckj s ASN 729 Ca -0.22 -0.36 0.01 0.00 -0.71 0.00 0.00 52.86 51.58 2ckj s ASN 729 Cb 0.01 -0.20 0.07 0.00 0.41 0.00 0.00 41.25 41.54 2ckj s ASN 729 CO 0.68 0.17 -0.01 0.54 -1.51 0.00 0.00 177.10 176.98 2ckj s VAL 730 N -0.53 1.46 0.41 1.60 0.11 -1.26 -1.32 120.40 120.87 2ckj s VAL 730 Ca 0.06 -1.37 0.08 0.00 -2.93 0.00 0.00 61.98 57.82 2ckj s VAL 730 Cb -0.07 -1.85 -0.03 0.00 -1.53 0.00 0.00 36.38 32.90 2ckj s VAL 730 CO 0.00 -0.28 0.34 0.68 -3.33 0.00 0.00 175.10 172.51 2ckj s VAL 731 N 1.39 2.70 -0.30 2.04 -7.23 -1.12 -4.97 120.40 112.91 2ckj s VAL 731 Ca -0.00 -1.40 -0.12 0.00 -1.81 0.00 0.00 61.98 58.64 2ckj s VAL 731 Cb -0.18 -3.01 0.18 0.00 0.56 0.00 0.00 36.38 33.92 2ckj s VAL 731 CO -0.10 -0.02 1.03 -0.55 -0.31 0.00 0.00 175.10 175.15 2ckj s SER 732 N -4.08 -0.48 0.31 4.85 0.15 -1.26 0.31 113.70 113.50 2ckj s SER 732 Ca 0.46 0.22 0.01 0.00 0.70 0.00 0.00 55.95 57.34 2ckj s SER 732 Cb -0.02 1.37 -0.02 0.00 -1.71 0.00 0.00 66.02 65.64 2ckj s SER 732 CO 0.27 -0.09 0.34 -0.83 1.20 0.00 0.00 173.24 174.13 2ckj s GLY 733 N 2.95 1.80 -0.00 9.45 0.00 -0.69 -5.01 107.32 115.82 2ckj s GLY 733 Ca 0.08 -1.75 -0.04 0.00 0.00 0.00 0.00 44.72 43.00 2ckj s GLY 733 CO -0.15 -1.25 0.07 1.85 0.00 0.00 0.00 173.10 173.63 2ckj s GLU 734 N -3.44 0.34 0.02 2.90 2.12 -1.26 -0.60 118.70 118.78 2ckj s GLU 734 Ca 0.36 -0.35 -0.16 0.00 0.36 0.00 0.00 54.97 55.18 2ckj s GLU 734 Cb 0.02 0.14 0.03 0.00 0.26 0.00 0.00 34.13 34.57 2ckj s GLU 734 CO 0.22 -0.07 0.35 0.96 -0.54 0.00 0.00 175.26 176.17 2ckj s ILE 735 N -1.09 0.06 -0.09 -3.70 -4.36 -0.06 -4.98 121.20 106.99 2ckj s ILE 735 Ca -0.12 -0.53 0.04 0.00 -0.26 0.00 0.00 60.65 59.78 2ckj s ILE 735 Cb -0.07 -0.84 -0.00 0.00 1.25 0.00 0.00 42.46 42.80 2ckj s ILE 735 CO 0.00 -0.29 -0.24 -0.47 0.24 0.00 0.00 174.94 174.18 2ckj s TYR 736 N -2.07 2.51 -0.25 1.37 5.04 -1.26 -2.72 117.35 119.97 2ckj s TYR 736 Ca -0.08 -0.98 -0.04 0.00 -2.44 0.00 0.00 57.07 53.52 2ckj s TYR 736 Cb -0.02 -1.68 0.00 0.00 0.35 0.00 0.00 41.96 40.62 2ckj s TYR 736 CO -0.00 -0.38 -0.00 0.42 -1.34 0.00 0.00 175.55 174.25 2ckj s ILE 737 N 0.26 3.48 0.88 3.14 1.01 0.28 -2.34 121.20 127.91 2ckj s ILE 737 Ca -0.16 -0.67 -0.15 0.00 0.00 0.00 0.00 60.65 59.67 2ckj s ILE 737 Cb -0.17 -2.70 -0.03 0.00 0.01 0.00 0.00 42.46 39.57 2ckj s ILE 737 CO 0.08 0.25 0.19 0.61 0.00 0.00 0.00 174.94 176.07 2ckj n GLY 738 N 4.79 -2.43 2.48 6.18 0.00 0.16 -2.19 105.19 114.18 2ckj n GLY 738 Ca -0.16 -0.64 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 2ckj n GLY 738 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLY 739 N 1.95 0.33 3.42 -0.02 0.00 -1.26 -4.73 105.19 104.88 2ckj n GLY 739 Ca 0.06 -1.95 -0.14 0.00 0.00 0.00 0.00 46.02 43.99 2ckj n GLY 739 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ckj s GLN 740 N -4.25 0.63 0.34 1.61 0.74 -1.21 -4.68 119.66 112.83 2ckj s GLN 740 Ca 0.43 0.67 -0.26 0.00 0.05 0.00 0.00 55.36 56.26 2ckj s GLN 740 Cb -0.02 0.31 -0.10 0.00 1.10 0.00 0.00 33.01 34.30 2ckj s GLN 740 CO 0.29 -0.09 0.98 -2.00 -0.55 0.00 0.00 175.29 173.92 2ckj s GLU 741 N 0.16 4.50 0.27 1.67 2.56 -1.26 -1.05 118.70 125.55 2ckj s GLU 741 Ca -0.01 1.40 0.03 0.00 0.00 0.00 0.00 54.97 56.39 2ckj s GLU 741 Cb -0.04 -2.77 0.39 0.00 2.00 0.00 0.00 34.13 33.71 2ckj s GLU 741 CO 0.01 0.19 1.70 0.45 -0.56 0.00 0.00 175.26 177.05 2ckj h HIS 742 N 3.08 0.50 -6.60 5.30 3.86 -1.98 -3.48 115.15 115.83 2ckj h HIS 742 Ca -0.47 -0.12 -0.29 0.00 -1.16 0.00 0.00 60.37 58.33 2ckj h HIS 742 Cb 1.20 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.54 2ckj h HIS 742 CO 0.60 0.71 -0.55 0.34 0.86 0.00 0.00 177.93 179.89 2ckj n PHE 743 N -4.09 -0.86 -1.95 2.45 7.35 -1.26 -4.98 117.46 114.12 2ckj n PHE 743 Ca -0.01 0.21 -0.31 0.00 -0.76 0.00 0.00 57.45 56.58 2ckj n PHE 743 Cb 0.44 -1.41 0.01 0.00 0.35 0.00 0.00 39.48 38.86 2ckj n PHE 743 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 2ckj s TYR 744 N -3.43 3.61 -0.00 -5.13 -0.85 -1.26 -4.84 117.35 105.45 2ckj s TYR 744 Ca 0.14 1.27 -0.21 0.00 -0.52 0.00 0.00 57.07 57.75 2ckj s TYR 744 Cb -0.08 -2.70 -0.22 0.00 0.38 0.00 0.00 41.96 39.35 2ckj s TYR 744 CO 0.48 -0.64 1.12 -0.07 -1.52 0.00 0.00 175.55 174.93 2ckj h LEU 745 N -0.20 0.45 -9.24 -3.49 3.38 -1.85 -3.42 115.31 100.93 2ckj h LEU 745 Ca -0.44 -0.72 -0.55 0.00 0.09 0.00 0.00 57.88 56.26 2ckj h LEU 745 Cb 1.19 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2ckj h LEU 745 CO 0.62 1.10 1.09 -0.70 0.09 0.00 0.00 178.44 180.64 2ckj s GLU 746 N -3.36 4.15 0.02 1.13 2.12 -1.25 -4.65 118.70 116.85 2ckj s GLU 746 Ca -0.14 2.13 -0.00 0.00 0.36 0.00 0.00 54.97 57.32 2ckj s GLU 746 Cb 0.03 -3.98 0.00 0.00 0.26 0.00 0.00 34.13 30.44 2ckj s GLU 746 CO 0.79 -0.88 0.02 0.25 -0.54 0.00 0.00 175.26 174.91 2ckj n THR 747 N 5.55 0.00 -1.37 -1.70 -2.24 -1.26 -4.77 114.28 108.50 2ckj n THR 747 Ca 0.17 -0.02 -0.31 0.00 -2.27 0.00 0.00 64.05 61.63 2ckj n THR 747 Cb 0.43 -1.80 0.09 0.00 -2.10 0.00 0.00 70.33 66.95 2ckj n THR 747 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2ckj s HIS 748 N -0.66 2.70 -0.30 4.78 0.09 -1.26 -4.85 115.29 115.79 2ckj s HIS 748 Ca 0.01 1.41 -0.20 0.00 -0.00 0.00 0.00 55.06 56.28 2ckj s HIS 748 Cb -0.00 -3.03 0.20 0.00 -0.00 0.00 0.00 32.58 29.74 2ckj s HIS 748 CO 0.01 -1.76 1.33 0.00 -0.00 0.00 0.00 174.74 174.32 2ckj s THR 750 N 0.56 0.24 -0.09 0.00 2.01 -0.96 -2.15 115.64 115.25 2ckj s THR 750 Ca -0.01 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 2ckj s THR 750 Cb -0.04 -0.29 -0.03 0.00 0.01 0.00 0.00 72.50 72.15 2ckj s THR 750 CO -0.13 0.14 0.00 -0.63 -0.69 0.00 0.00 174.62 173.31 2ckj s ILE 751 N 0.75 4.32 -0.10 1.82 1.01 -0.01 -1.71 121.20 127.28 2ckj s ILE 751 Ca -0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 2ckj s ILE 751 Cb -0.11 -2.83 0.03 0.00 0.01 0.00 0.00 42.46 39.57 2ckj s ILE 751 CO -0.01 0.60 -0.00 0.00 0.00 0.00 0.00 174.94 175.52 2ckj s ALA 752 N -0.77 0.84 -0.25 9.38 0.00 -0.52 -1.17 121.76 129.27 2ckj s ALA 752 Ca 0.12 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 51.80 2ckj s ALA 752 Cb -0.12 -0.86 0.05 0.00 0.00 0.00 0.00 23.12 22.19 2ckj s ALA 752 CO 0.02 -0.61 -0.11 0.54 0.00 0.00 0.00 175.76 175.61 2ckj s VAL 753 N 1.92 2.31 -0.23 0.00 0.11 -0.59 -1.41 120.40 122.51 2ckj s VAL 753 Ca 0.04 -1.40 -0.07 0.00 -2.93 0.00 0.00 61.98 57.62 2ckj s VAL 753 Cb -0.13 -2.26 -0.03 0.00 -1.53 0.00 0.00 36.38 32.43 2ckj s VAL 753 CO -0.06 0.10 0.05 -2.16 -3.33 0.00 0.00 175.10 169.70 2ckj s PRO 754 N 1.18 3.67 0.39 1.54 0.04 -1.26 -2.74 135.00 137.83 2ckj s PRO 754 Ca -0.05 -0.48 0.17 0.00 0.04 0.00 0.00 61.00 60.68 2ckj s PRO 754 Cb -0.18 -3.25 0.82 0.00 0.04 0.00 0.00 34.50 31.93 2ckj s PRO 754 CO -0.06 -0.09 1.83 0.87 0.04 0.00 0.00 177.00 179.59 2ckj h LYS 755 N 7.89 0.00 0.00 4.56 1.57 -1.87 -3.47 116.57 125.25 2ckj h LYS 755 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2ckj h LYS 755 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2ckj h LYS 755 CO 0.60 0.34 0.00 0.41 -0.57 0.00 0.00 179.45 180.23 2ckj n GLY 756 N -0.26 3.37 3.76 3.86 0.00 -1.26 -5.02 105.19 109.64 2ckj n GLY 756 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 2ckj n GLY 756 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ckj s GLU 757 N -0.75 3.79 -1.22 1.61 -1.05 -1.26 -4.74 118.70 115.08 2ckj s GLU 757 Ca 0.00 -0.23 0.00 0.00 -0.15 0.00 0.00 54.97 54.59 2ckj s GLU 757 Cb 0.00 -3.25 0.00 0.00 -0.44 0.00 0.00 34.13 30.44 2ckj s GLU 757 CO 0.00 0.49 0.00 0.00 0.95 0.00 0.00 175.26 176.70 2ckj n ALA 758 N 2.88 -0.49 -0.59 -0.84 0.00 -1.26 -1.80 120.51 118.41 2ckj n ALA 758 Ca -0.18 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2ckj n ALA 758 Cb 0.53 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2ckj n ALA 758 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ckj n GLY 759 N -0.53 0.69 3.77 0.00 0.00 -1.26 -5.01 105.19 102.85 2ckj n GLY 759 Ca -0.14 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 2ckj n GLY 759 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ckj s GLU 760 N -0.54 3.93 -0.17 1.61 2.02 -0.74 -4.84 118.70 119.96 2ckj s GLU 760 Ca 0.00 2.34 -0.13 0.00 0.02 0.00 0.00 54.97 57.21 2ckj s GLU 760 Cb 0.00 -2.79 0.05 0.00 0.10 0.00 0.00 34.13 31.49 2ckj s GLU 760 CO 0.00 -0.60 0.44 1.41 0.02 0.00 0.00 175.26 176.53 2ckj s MET 761 N -2.25 0.47 -0.08 1.61 1.75 -1.00 -2.51 119.30 117.30 2ckj s MET 761 Ca 0.57 0.70 0.02 0.00 -1.25 0.00 0.00 55.69 55.73 2ckj s MET 761 Cb -0.42 0.14 -0.02 0.00 2.84 0.00 0.00 34.83 37.37 2ckj s MET 761 CO 0.55 -0.10 -0.15 -2.00 -0.65 0.00 0.00 175.02 172.67 2ckj s GLU 762 N 0.72 2.83 -0.02 4.11 2.12 -1.11 -2.00 118.70 125.35 2ckj s GLU 762 Ca -0.04 -0.71 0.04 0.00 0.36 0.00 0.00 54.97 54.62 2ckj s GLU 762 Cb -0.05 -2.45 -0.01 0.00 0.26 0.00 0.00 34.13 31.88 2ckj s GLU 762 CO -0.05 0.45 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.46 2ckj s LEU 763 N -0.29 1.97 -0.25 2.70 1.02 0.14 -1.54 118.68 122.42 2ckj s LEU 763 Ca 0.02 -0.29 -0.06 0.00 0.02 0.00 0.00 54.13 53.82 2ckj s LEU 763 Cb -0.13 -0.82 -0.01 0.00 0.02 0.00 0.00 46.19 45.25 2ckj s LEU 763 CO 0.03 0.17 0.05 -0.36 0.02 0.00 0.00 176.35 176.25 2ckj s PHE 764 N -0.19 3.07 -0.09 0.29 0.40 -0.32 -1.55 117.98 119.60 2ckj s PHE 764 Ca 0.02 -0.69 -0.08 0.00 -0.60 0.00 0.00 56.93 55.58 2ckj s PHE 764 Cb -0.08 -2.21 0.03 0.00 0.51 0.00 0.00 43.02 41.27 2ckj s PHE 764 CO 0.00 -0.46 0.24 0.08 0.70 0.00 0.00 175.22 175.78 2ckj s VAL 765 N 1.55 -0.01 -1.25 -0.44 1.01 -1.01 -0.83 120.40 119.43 2ckj s VAL 765 Ca 0.05 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.97 2ckj s VAL 765 Cb -0.15 -0.35 0.18 0.00 0.00 0.00 0.00 36.38 36.05 2ckj s VAL 765 CO 0.02 0.01 1.77 -0.24 0.00 0.00 0.00 175.10 176.66 2ckj n SER 766 N 3.21 5.21 -4.13 3.32 2.88 -0.91 -4.45 113.62 118.75 2ckj n SER 766 Ca -0.15 -3.11 -0.12 0.00 -1.33 0.00 0.00 58.87 54.16 2ckj n SER 766 Cb 0.57 -1.48 -0.11 0.00 -0.75 0.00 0.00 64.21 62.45 2ckj n SER 766 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2ckj s THR 767 N 0.31 0.66 -0.00 2.46 -1.32 -1.26 -4.79 115.64 111.70 2ckj s THR 767 Ca 0.39 -1.58 0.00 0.00 -1.21 0.00 0.00 61.69 59.29 2ckj s THR 767 Cb 0.07 -1.25 -0.26 0.00 -1.51 0.00 0.00 72.50 69.55 2ckj s THR 767 CO 0.01 -0.65 0.82 1.56 -2.21 0.00 0.00 174.62 174.15 2ckj h GLN 768 N 3.60 0.19 -3.97 7.08 4.20 -1.66 -3.44 115.11 121.11 2ckj h GLN 768 Ca -0.36 -0.32 -0.74 0.00 0.06 0.00 0.00 58.65 57.29 2ckj h GLN 768 Cb 1.18 0.12 -0.29 0.00 0.30 0.00 0.00 27.48 28.79 2ckj h GLN 768 CO 0.54 1.01 -0.21 1.21 -0.67 0.00 0.00 178.83 180.71 2ckj s ASN 769 N -6.81 6.00 0.12 1.46 3.84 -1.19 -1.75 114.94 116.60 2ckj s ASN 769 Ca -0.09 -2.35 -0.14 0.00 0.21 0.00 0.00 52.86 50.49 2ckj s ASN 769 Cb 0.07 -2.06 -0.04 0.00 -0.55 0.00 0.00 41.25 38.67 2ckj s ASN 769 CO 0.84 -0.61 1.50 0.00 -2.79 0.00 0.00 177.10 176.05 2ckj h THR 770 N 5.49 1.28 -0.04 -5.21 1.03 -1.88 -2.57 112.91 111.01 2ckj h THR 770 Ca -0.08 -1.24 -0.00 0.00 -0.01 0.00 0.00 66.41 65.08 2ckj h THR 770 Cb 1.04 1.31 -0.00 0.00 -1.07 0.00 0.00 68.15 69.43 2ckj h THR 770 CO 0.82 0.41 0.02 -0.03 -0.01 0.00 0.00 175.52 176.73 2ckj h MET 771 N 0.54 0.05 -0.20 0.00 1.85 -1.93 -2.91 114.93 112.33 2ckj h MET 771 Ca 0.09 -0.00 -0.07 0.00 -0.61 0.00 0.00 59.70 59.10 2ckj h MET 771 Cb 0.67 -0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.68 2ckj h MET 771 CO 0.05 0.07 -0.15 0.87 -0.40 0.00 0.00 176.91 177.34 2ckj h LYS 772 N 0.02 0.45 -0.74 0.39 1.79 -1.89 -2.41 116.57 114.18 2ckj h LYS 772 Ca 0.01 -0.22 0.14 0.00 -2.18 0.00 0.00 60.65 58.40 2ckj h LYS 772 Cb 0.03 -0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.58 2ckj h LYS 772 CO -0.00 0.78 0.28 1.15 -1.08 0.00 0.00 179.45 180.57 2ckj h THR 773 N 0.13 0.64 0.35 -0.16 2.02 -1.44 -1.41 112.91 113.04 2ckj h THR 773 Ca 0.04 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 2ckj h THR 773 Cb 0.67 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 2ckj h THR 773 CO 0.04 0.08 -0.39 -0.61 0.37 0.00 0.00 175.52 175.00 2ckj h GLN 774 N 0.41 -0.75 -0.22 6.66 4.15 -1.45 -2.85 115.11 121.06 2ckj h GLN 774 Ca 0.41 0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.88 2ckj h GLN 774 Cb 0.62 0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.47 2ckj h GLN 774 CO -0.41 -0.50 0.14 0.77 -1.93 0.00 0.00 178.83 176.89 2ckj h SER 775 N -0.78 0.23 1.26 -0.69 0.02 -0.76 -1.10 113.55 111.73 2ckj h SER 775 Ca -0.02 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 2ckj h SER 775 Cb 0.71 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2ckj h SER 775 CO -0.09 0.17 -0.32 -0.26 -1.14 0.00 0.00 176.83 175.19 2ckj h PHE 776 N 0.28 0.00 0.51 3.45 -1.00 -1.45 1.40 116.94 120.13 2ckj h PHE 776 Ca 0.08 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.84 2ckj h PHE 776 Cb -0.02 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.55 2ckj h PHE 776 CO -0.07 0.32 -0.25 0.28 -1.61 0.00 0.00 178.31 176.98 2ckj h VAL 777 N 0.00 0.32 -0.79 -0.55 2.07 -1.34 -2.02 116.25 113.94 2ckj h VAL 777 Ca -0.00 -0.44 0.11 0.00 0.82 0.00 0.00 66.70 67.19 2ckj h VAL 777 Cb 1.04 0.46 -0.08 0.00 -1.52 0.00 0.00 31.29 31.18 2ckj h VAL 777 CO 0.04 0.05 0.42 0.00 0.02 0.00 0.00 177.57 178.10 2ckj h ALA 778 N -0.76 1.14 -0.61 1.67 0.00 0.11 -1.36 119.26 119.45 2ckj h ALA 778 Ca -0.07 0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2ckj h ALA 778 Cb 0.61 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 2ckj h ALA 778 CO 0.12 -0.02 0.30 -0.22 0.00 0.00 0.00 179.25 179.43 2ckj h LYS 779 N 0.67 0.53 -0.08 0.00 3.64 0.18 -0.97 116.57 120.54 2ckj h LYS 779 Ca 0.40 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.71 2ckj h LYS 779 Cb 0.47 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2ckj h LYS 779 CO -0.30 0.35 -0.16 1.98 -2.27 0.00 0.00 179.45 179.05 2ckj h MET 780 N 0.55 0.13 0.00 1.90 4.05 -0.49 -3.16 114.93 117.91 2ckj h MET 780 Ca 0.29 -0.03 -0.16 0.00 -0.28 0.00 0.00 59.70 59.51 2ckj h MET 780 Cb 0.24 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.00 2ckj h MET 780 CO -0.22 0.29 -1.76 1.28 0.23 0.00 0.00 176.91 176.74 2ckj n LEU 781 N -4.29 0.45 0.00 3.39 4.77 -0.96 -1.51 117.00 118.86 2ckj n LEU 781 Ca -0.01 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2ckj n LEU 781 Cb 0.26 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2ckj n LEU 781 CO 0.37 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 2ckj n GLY 782 N 1.43 0.89 3.23 -0.72 0.00 -0.41 -4.33 105.19 105.29 2ckj n GLY 782 Ca -0.13 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 2ckj n GLY 782 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ckj s VAL 783 N -2.00 1.45 0.14 1.61 -7.23 -1.02 -5.06 120.40 108.29 2ckj s VAL 783 Ca 0.00 -1.39 -0.33 0.00 -1.81 0.00 0.00 61.98 58.45 2ckj s VAL 783 Cb 0.00 -1.33 -0.17 0.00 0.56 0.00 0.00 36.38 35.44 2ckj s VAL 783 CO 0.00 -0.09 0.89 -2.65 -0.31 0.00 0.00 175.10 172.94 2ckj n PRO 784 N 1.28 0.40 0.03 4.82 -0.01 -1.26 -4.56 135.00 135.70 2ckj n PRO 784 Ca -0.20 0.14 0.22 0.00 -0.01 0.00 0.00 63.50 63.65 2ckj n PRO 784 Cb 0.54 -1.45 0.71 0.00 -0.01 0.00 0.00 33.50 33.29 2ckj n PRO 784 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2ckj h ALA 785 N 2.31 2.27 0.00 3.55 0.00 -1.96 -1.84 119.26 123.59 2ckj h ALA 785 Ca -0.40 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2ckj h ALA 785 Cb 1.40 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2ckj h ALA 785 CO 0.63 -0.83 0.00 0.27 0.00 0.00 0.00 179.25 179.32 2ckj n ASN 786 N -3.67 0.00 -0.01 0.00 0.23 -1.26 -2.50 115.26 108.05 2ckj n ASN 786 Ca 0.10 -1.41 0.11 0.00 -0.53 0.00 0.00 54.58 52.85 2ckj n ASN 786 Cb 0.76 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 38.30 2ckj n ASN 786 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2ckj n ARG 787 N -0.74 0.53 -3.73 -3.83 5.12 -0.69 -4.91 116.66 108.41 2ckj n ARG 787 Ca 0.11 -0.16 -0.35 0.00 -1.93 0.00 0.00 57.85 55.51 2ckj n ARG 787 Cb 0.05 -1.52 -0.08 0.00 -1.16 0.00 0.00 32.46 29.75 2ckj n ARG 787 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2ckj s ILE 788 N -3.42 5.38 -0.08 0.55 1.09 -1.04 -2.38 121.20 121.31 2ckj s ILE 788 Ca -0.05 0.18 0.04 0.00 -1.10 0.00 0.00 60.65 59.72 2ckj s ILE 788 Cb 0.14 -3.46 -0.01 0.00 -1.06 0.00 0.00 42.46 38.07 2ckj s ILE 788 CO 0.90 0.43 -0.21 -0.69 -0.10 0.00 0.00 174.94 175.28 2ckj s VAL 789 N 0.41 2.42 -0.04 2.92 1.01 -0.85 -5.02 120.40 121.26 2ckj s VAL 789 Ca 0.08 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.20 2ckj s VAL 789 Cb -0.11 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 2ckj s VAL 789 CO -0.01 0.56 -0.23 -0.69 0.00 0.00 0.00 175.10 174.73 2ckj s VAL 790 N -0.03 1.86 -0.04 2.92 1.01 -1.26 0.24 120.40 125.10 2ckj s VAL 790 Ca -0.06 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 60.90 2ckj s VAL 790 Cb -0.15 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.69 2ckj s VAL 790 CO 0.05 0.52 0.11 0.00 0.00 0.00 0.00 175.10 175.78 2ckj s ARG 791 N -0.32 0.11 -0.14 2.72 1.70 -0.59 -3.01 118.95 119.41 2ckj s ARG 791 Ca 0.02 0.19 0.00 0.00 -0.47 0.00 0.00 55.73 55.48 2ckj s ARG 791 Cb -0.11 -0.00 0.02 0.00 -0.57 0.00 0.00 34.95 34.29 2ckj s ARG 791 CO 0.01 -0.05 -0.14 0.08 -1.08 0.00 0.00 175.30 174.12 2ckj s VAL 792 N 0.33 1.54 -0.24 4.99 1.01 -1.19 -2.39 120.40 124.45 2ckj s VAL 792 Ca -0.02 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.16 2ckj s VAL 792 Cb -0.03 -1.45 -0.16 0.00 0.00 0.00 0.00 36.38 34.74 2ckj s VAL 792 CO -0.01 0.45 -0.03 1.17 0.00 0.00 0.00 175.10 176.68 2ckj n LYS 793 N 4.75 0.57 -3.95 2.72 4.81 -1.26 -2.00 118.16 123.80 2ckj n LYS 793 Ca -0.17 0.45 -0.09 0.00 -0.87 0.00 0.00 58.31 57.63 2ckj n LYS 793 Cb 0.50 -1.64 -0.04 0.00 0.02 0.00 0.00 35.03 33.87 2ckj n LYS 793 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2ckj s ARG 794 N -2.43 1.65 0.07 1.64 1.70 -1.26 -4.44 118.95 115.87 2ckj s ARG 794 Ca -0.33 -1.19 0.04 0.00 -0.47 0.00 0.00 55.73 53.78 2ckj s ARG 794 Cb 0.09 0.52 -0.03 0.00 -0.57 0.00 0.00 34.95 34.96 2ckj s ARG 794 CO 0.54 -0.71 -0.11 -1.64 -1.08 0.00 0.00 175.30 172.31 2ckj s MET 795 N -3.93 0.72 -0.18 3.89 -1.94 -0.97 -4.88 119.30 112.02 2ckj s MET 795 Ca 0.19 -0.93 0.04 0.00 -1.71 0.00 0.00 55.69 53.28 2ckj s MET 795 Cb -0.02 -0.56 0.35 0.00 2.01 0.00 0.00 34.83 36.60 2ckj s MET 795 CO 0.09 0.11 1.32 0.41 -0.01 0.00 0.00 175.02 176.93 2ckj n GLY 796 N 1.18 2.84 0.00 -0.03 0.00 -1.26 -4.34 105.19 103.59 2ckj n GLY 796 Ca -0.21 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2ckj n GLY 796 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLY 797 N -0.08 3.52 0.00 -0.02 0.00 -1.26 -2.50 105.19 104.85 2ckj n GLY 797 Ca 0.23 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.41 2ckj n GLY 797 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLY 798 N -1.35 0.16 2.38 -0.02 0.00 -1.26 -4.90 105.19 100.21 2ckj n GLY 798 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 2ckj n GLY 798 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ckj n PHE 799 N -1.25 -1.63 0.00 1.61 3.01 -1.26 0.13 117.46 118.08 2ckj n PHE 799 Ca 0.00 0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.52 2ckj n PHE 799 Cb 0.00 -0.92 0.00 0.00 -0.01 0.00 0.00 39.48 38.55 2ckj n PHE 799 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2ckj n GLY 800 N -0.48 2.77 0.64 1.37 0.00 -1.26 -1.97 105.19 106.26 2ckj n GLY 800 Ca 0.01 0.00 0.47 0.00 0.00 0.00 0.00 46.02 46.50 2ckj n GLY 800 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ckj h GLY 801 N 0.00 0.10 -0.42 -0.02 0.00 0.12 0.71 103.07 103.56 2ckj h GLY 801 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 2ckj h GLY 801 CO 0.00 -0.03 -0.20 0.58 0.00 0.00 0.00 176.54 176.89 2ckj n LYS 802 N -4.06 1.26 0.26 4.80 2.85 -1.04 -4.39 118.16 117.83 2ckj n LYS 802 Ca 0.38 -2.68 0.11 0.00 -1.05 0.00 0.00 58.31 55.07 2ckj n LYS 802 Cb 1.74 -1.44 0.69 0.00 -0.65 0.00 0.00 35.03 35.37 2ckj n LYS 802 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2ckj h GLU 803 N 0.31 0.00 0.00 -1.58 4.81 -1.14 -1.78 114.58 115.20 2ckj h GLU 803 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2ckj h GLU 803 Cb 1.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.43 2ckj h GLU 803 CO 0.00 0.12 -0.03 0.25 -0.73 0.00 0.00 179.01 178.63 2ckj n THR 804 N -3.85 0.00 0.08 0.32 -2.24 -1.26 -4.19 114.28 103.14 2ckj n THR 804 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2ckj n THR 804 Cb 0.22 -0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.38 2ckj n THR 804 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2ckj h ARG 805 N 0.00 0.00 -0.82 -0.78 2.47 -1.83 -2.34 114.38 111.08 2ckj h ARG 805 Ca 0.00 0.00 0.31 0.00 -1.26 0.00 0.00 59.98 59.03 2ckj h ARG 805 Cb 0.03 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 28.20 2ckj h ARG 805 CO 0.00 0.42 0.31 -1.13 0.56 0.00 0.00 179.97 180.14 2ckj n SER 806 N -3.06 0.17 0.26 7.04 3.41 -1.26 -1.22 113.62 118.96 2ckj n SER 806 Ca -0.04 1.37 0.11 0.00 -0.26 0.00 0.00 58.87 60.05 2ckj n SER 806 Cb 0.81 -0.62 0.72 0.00 -0.26 0.00 0.00 64.21 64.86 2ckj n SER 806 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2ckj h THR 807 N 0.00 0.71 -0.69 6.66 1.35 -1.80 -2.76 112.91 116.39 2ckj h THR 807 Ca 0.64 -0.40 -0.03 0.00 -0.55 0.00 0.00 66.41 66.07 2ckj h THR 807 Cb 1.60 1.24 -0.03 0.00 -1.73 0.00 0.00 68.15 69.22 2ckj h THR 807 CO -0.67 0.10 0.31 -0.37 -0.25 0.00 0.00 175.52 174.64 2ckj h VAL 808 N 0.00 1.23 0.31 6.82 -1.51 -1.38 0.66 116.25 122.37 2ckj h VAL 808 Ca -0.00 -0.65 -0.02 0.00 -1.23 0.00 0.00 66.70 64.80 2ckj h VAL 808 Cb 0.23 0.36 0.00 0.00 -2.13 0.00 0.00 31.29 29.76 2ckj h VAL 808 CO 0.01 0.27 -0.15 0.58 -1.23 0.00 0.00 177.57 177.06 2ckj h VAL 809 N 0.98 0.40 -0.96 7.19 2.07 -1.69 -3.23 116.25 121.02 2ckj h VAL 809 Ca 0.24 -0.80 0.17 0.00 0.82 0.00 0.00 66.70 67.13 2ckj h VAL 809 Cb 0.13 0.65 -0.10 0.00 -1.52 0.00 0.00 31.29 30.44 2ckj h VAL 809 CO -0.03 0.10 0.56 0.28 0.02 0.00 0.00 177.57 178.50 2ckj h SER 810 N -1.00 0.72 0.01 0.57 0.02 -1.36 -1.05 113.55 111.46 2ckj h SER 810 Ca -0.04 0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 2ckj h SER 810 Cb 0.47 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 2ckj h SER 810 CO 0.07 0.28 -0.15 0.00 -1.14 0.00 0.00 176.83 175.89 2ckj h THR 811 N 0.74 0.64 0.29 -2.27 1.03 -1.01 -1.14 112.91 111.19 2ckj h THR 811 Ca 0.54 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.94 2ckj h THR 811 Cb 0.78 0.64 -0.04 0.00 -1.07 0.00 0.00 68.15 68.46 2ckj h THR 811 CO -0.37 0.00 -0.49 0.00 -0.01 0.00 0.00 175.52 174.65 2ckj h ALA 812 N 0.68 -0.99 -0.59 0.00 0.00 -1.22 -2.95 119.26 114.20 2ckj h ALA 812 Ca 0.05 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.92 2ckj h ALA 812 Cb 0.31 0.77 -0.11 0.00 0.00 0.00 0.00 17.79 18.76 2ckj h ALA 812 CO -0.14 -1.11 -0.36 0.28 0.00 0.00 0.00 179.25 177.92 2ckj h VAL 813 N -0.84 0.15 -0.65 0.00 2.07 -1.51 -2.66 116.25 112.81 2ckj h VAL 813 Ca -0.02 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.60 2ckj h VAL 813 Cb 0.79 0.15 -0.12 0.00 -1.52 0.00 0.00 31.29 30.59 2ckj h VAL 813 CO -0.18 0.00 -0.38 0.00 0.02 0.00 0.00 177.57 177.03 2ckj h ALA 814 N 0.92 -0.13 -0.86 1.67 0.00 -1.14 -1.80 119.26 117.92 2ckj h ALA 814 Ca 0.22 0.16 0.14 0.00 0.00 0.00 0.00 54.91 55.43 2ckj h ALA 814 Cb 0.56 0.89 -0.07 0.00 0.00 0.00 0.00 17.79 19.17 2ckj h ALA 814 CO -0.69 -0.73 0.56 1.25 0.00 0.00 0.00 179.25 179.64 2ckj h LEU 815 N -0.16 0.63 -0.28 0.00 5.85 -1.30 -1.52 115.31 118.53 2ckj h LEU 815 Ca 0.23 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 2ckj h LEU 815 Cb 0.56 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2ckj h LEU 815 CO -0.73 0.33 -0.01 0.00 -0.34 0.00 0.00 178.44 177.69 2ckj h ALA 816 N 1.60 0.38 -0.65 1.25 0.00 -1.28 -0.56 119.26 120.00 2ckj h ALA 816 Ca 0.43 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.21 2ckj h ALA 816 Cb 0.69 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 2ckj h ALA 816 CO -0.19 0.13 0.26 0.00 0.00 0.00 0.00 179.25 179.45 2ckj h ALA 817 N 0.82 0.86 -0.76 0.00 0.00 -0.51 -2.42 119.26 117.26 2ckj h ALA 817 Ca 0.08 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2ckj h ALA 817 Cb 0.44 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2ckj h ALA 817 CO 0.02 -0.17 0.46 -0.92 0.00 0.00 0.00 179.25 178.64 2ckj h TYR 818 N 0.45 0.99 0.43 0.00 3.20 -0.81 0.23 116.97 121.46 2ckj h TYR 818 Ca 0.33 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.18 2ckj h TYR 818 Cb 0.41 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.36 2ckj h TYR 818 CO -0.16 0.66 -0.20 -0.22 -1.64 0.00 0.00 178.16 176.60 2ckj h LYS 819 N 1.03 -0.55 0.00 1.82 1.63 -0.96 -3.35 116.57 116.19 2ckj h LYS 819 Ca 0.27 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.11 2ckj h LYS 819 Cb -0.05 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 2ckj h LYS 819 CO -0.05 -0.37 -0.08 1.79 -3.45 0.00 0.00 179.45 177.29 2ckj h THR 820 N -0.75 0.00 -0.26 1.00 1.35 -1.51 -3.47 112.91 109.26 2ckj h THR 820 Ca -0.06 -0.55 -0.10 0.00 -0.55 0.00 0.00 66.41 65.15 2ckj h THR 820 Cb 0.44 1.50 -0.04 0.00 -1.73 0.00 0.00 68.15 68.32 2ckj h THR 820 CO 0.10 0.00 -0.10 0.61 -0.25 0.00 0.00 175.52 175.88 2ckj n GLY 821 N 1.28 0.75 3.25 5.82 0.00 0.07 -4.97 105.19 111.39 2ckj n GLY 821 Ca 0.05 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 2ckj n GLY 821 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ckj s ARG 822 N -2.51 0.91 0.42 1.61 1.70 -1.23 -4.93 118.95 114.91 2ckj s ARG 822 Ca 0.00 -0.80 -0.26 0.00 -0.47 0.00 0.00 55.73 54.19 2ckj s ARG 822 Cb 0.00 0.38 -0.09 0.00 -0.57 0.00 0.00 34.95 34.67 2ckj s ARG 822 CO 0.00 -0.31 1.46 -1.25 -1.08 0.00 0.00 175.30 174.12 2ckj s PRO 823 N -3.61 3.86 0.01 3.89 0.04 -1.26 -4.53 135.00 133.40 2ckj s PRO 823 Ca 0.03 2.50 0.04 0.00 0.04 0.00 0.00 61.00 63.61 2ckj s PRO 823 Cb 0.03 -2.79 -0.01 0.00 0.04 0.00 0.00 34.50 31.76 2ckj s PRO 823 CO -0.10 -0.71 -0.12 0.08 0.04 0.00 0.00 177.00 176.19 2ckj s VAL 824 N -1.16 0.93 0.16 -0.36 1.01 -0.50 -1.27 120.40 119.20 2ckj s VAL 824 Ca 0.57 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.90 2ckj s VAL 824 Cb -0.45 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 2ckj s VAL 824 CO 0.60 0.10 -0.14 -0.60 0.00 0.00 0.00 175.10 175.06 2ckj s ARG 825 N -0.71 1.16 -0.11 2.72 3.52 -0.33 -1.43 118.95 123.78 2ckj s ARG 825 Ca 0.02 -1.42 -0.21 0.00 -0.13 0.00 0.00 55.73 53.98 2ckj s ARG 825 Cb -0.06 -0.95 0.05 0.00 -1.56 0.00 0.00 34.95 32.43 2ckj s ARG 825 CO 0.00 0.16 0.52 0.00 -0.81 0.00 0.00 175.30 175.18 2ckj s MET 827 N -0.59 0.37 0.51 0.00 0.00 -1.26 -2.27 119.30 116.07 2ckj s MET 827 Ca -0.07 0.75 -0.22 0.00 0.00 0.00 0.00 55.69 56.15 2ckj s MET 827 Cb -0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 34.83 34.72 2ckj s MET 827 CO 0.04 -0.15 1.25 -0.51 0.00 0.00 0.00 175.02 175.65 2ckj s LEU 828 N 1.33 3.90 0.67 4.11 1.43 -0.95 -5.00 118.68 124.18 2ckj s LEU 828 Ca -0.09 2.51 -0.13 0.00 -1.03 0.00 0.00 54.13 55.39 2ckj s LEU 828 Cb -0.08 -4.30 0.00 0.00 0.03 0.00 0.00 46.19 41.84 2ckj s LEU 828 CO -0.12 -1.28 1.08 -1.81 0.23 0.00 0.00 176.35 174.46 2ckj s ASP 829 N -1.21 5.21 0.28 2.29 1.01 -1.26 -4.69 116.67 118.29 2ckj s ASP 829 Ca 0.69 1.84 -0.03 0.00 0.71 0.00 0.00 52.55 55.75 2ckj s ASP 829 Cb -0.34 -2.53 0.38 0.00 1.01 0.00 0.00 42.92 41.45 2ckj s ASP 829 CO 0.40 -1.56 1.94 -0.09 0.21 0.00 0.00 175.17 176.07 2ckj h ARG 830 N -0.26 1.17 -0.49 8.23 2.43 -1.82 -2.01 114.38 121.63 2ckj h ARG 830 Ca -0.45 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 58.61 2ckj h ARG 830 Cb 1.23 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 2ckj h ARG 830 CO 0.55 0.78 0.16 0.38 -1.51 0.00 0.00 179.97 180.32 2ckj h ASP 831 N 1.21 0.66 -0.13 -3.80 3.04 -1.87 -1.43 116.42 114.10 2ckj h ASP 831 Ca 0.35 -0.09 -0.04 0.00 -3.24 0.00 0.00 57.03 54.02 2ckj h ASP 831 Cb -0.06 -0.17 -0.00 0.00 -1.04 0.00 0.00 39.33 38.06 2ckj h ASP 831 CO -0.09 0.62 -0.06 -0.33 -2.04 0.00 0.00 179.24 177.34 2ckj h GLU 832 N 0.71 0.27 0.15 4.15 5.08 -1.73 -3.24 114.58 119.97 2ckj h GLU 832 Ca 0.17 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2ckj h GLU 832 Cb 0.20 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2ckj h GLU 832 CO -0.01 0.61 -0.07 0.22 -1.00 0.00 0.00 179.01 178.75 2ckj h ASP 833 N -0.08 -0.18 -0.15 1.42 3.58 -1.22 -1.89 116.42 117.91 2ckj h ASP 833 Ca 0.03 -0.25 0.04 0.00 0.42 0.00 0.00 57.03 57.28 2ckj h ASP 833 Cb 0.53 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 2ckj h ASP 833 CO 0.02 0.16 0.17 0.24 -2.88 0.00 0.00 179.24 176.95 2ckj h MET 834 N -0.54 0.00 0.00 0.28 2.86 -1.35 -2.60 114.93 113.59 2ckj h MET 834 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2ckj h MET 834 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2ckj h MET 834 CO 0.03 0.00 0.00 -0.11 1.06 0.00 0.00 176.91 177.89 2ckj n LEU 835 N -3.82 0.64 0.02 1.22 7.94 -0.74 -4.43 117.00 117.82 2ckj n LEU 835 Ca 0.01 0.46 -0.13 0.00 -1.11 0.00 0.00 56.01 55.25 2ckj n LEU 835 Cb 0.29 -0.09 -0.06 0.00 0.53 0.00 0.00 43.42 44.08 2ckj n LEU 835 CO 0.28 -0.09 0.59 0.40 -1.11 0.00 0.00 177.39 177.45 2ckj h ILE 836 N 0.00 0.15 -0.56 1.96 2.04 -1.36 -3.21 117.51 116.53 2ckj h ILE 836 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 2ckj h ILE 836 Cb 0.00 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.21 2ckj h ILE 836 CO 0.00 0.00 0.19 0.71 0.00 0.00 0.00 178.15 179.05 2ckj h THR 837 N -0.51 1.21 -1.15 -0.27 1.35 -1.72 -3.45 112.91 108.37 2ckj h THR 837 Ca 0.07 -0.71 0.13 0.00 -0.55 0.00 0.00 66.41 65.34 2ckj h THR 837 Cb 0.63 0.58 -0.05 0.00 -1.73 0.00 0.00 68.15 67.59 2ckj h THR 837 CO -0.37 0.28 -0.27 0.61 -0.25 0.00 0.00 175.52 175.51 2ckj n GLY 838 N -0.97 -1.97 2.47 5.82 0.00 -1.21 -4.77 105.19 104.55 2ckj n GLY 838 Ca 0.04 -1.38 -0.21 0.00 0.00 0.00 0.00 46.02 44.48 2ckj n GLY 838 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLY 839 N -2.81 3.56 3.77 -0.02 0.00 -1.26 -4.71 105.19 103.71 2ckj n GLY 839 Ca -0.01 -2.31 -0.39 0.00 0.00 0.00 0.00 46.02 43.31 2ckj n GLY 839 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ckj s ARG 840 N -3.30 3.89 0.18 1.61 3.52 -0.22 -2.11 118.95 122.53 2ckj s ARG 840 Ca 0.05 2.16 -0.33 0.00 -0.13 0.00 0.00 55.73 57.48 2ckj s ARG 840 Cb -0.00 -2.71 -0.14 0.00 -1.56 0.00 0.00 34.95 30.54 2ckj s ARG 840 CO 0.03 -0.56 1.45 0.72 -0.81 0.00 0.00 175.30 176.13 2ckj n HIS 841 N 0.01 2.05 -2.88 5.12 8.25 -1.26 -3.35 115.22 123.16 2ckj n HIS 841 Ca 0.04 0.41 -0.24 0.00 -0.26 0.00 0.00 57.72 57.68 2ckj n HIS 841 Cb 0.44 -2.46 0.01 0.00 1.12 0.00 0.00 29.99 29.10 2ckj n HIS 841 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2ckj s PRO 842 N 0.25 3.06 -0.01 -0.41 0.05 -1.26 -4.67 135.00 132.02 2ckj s PRO 842 Ca 0.75 -0.38 0.03 0.00 0.05 0.00 0.00 61.00 61.45 2ckj s PRO 842 Cb -0.72 -2.51 -0.01 0.00 0.05 0.00 0.00 34.50 31.32 2ckj s PRO 842 CO 0.45 -0.34 -0.10 -0.06 0.05 0.00 0.00 177.00 177.00 2ckj s PHE 843 N -2.63 0.89 -0.23 0.56 0.08 -0.93 -2.57 117.98 113.14 2ckj s PHE 843 Ca 0.49 -0.17 -0.04 0.00 0.12 0.00 0.00 56.93 57.33 2ckj s PHE 843 Cb -0.10 -0.58 -0.00 0.00 -0.57 0.00 0.00 43.02 41.77 2ckj s PHE 843 CO 0.39 -0.02 -0.03 -1.17 -0.10 0.00 0.00 175.22 174.29 2ckj s LEU 844 N -0.20 3.04 -0.06 -0.37 2.96 0.24 -0.55 118.68 123.73 2ckj s LEU 844 Ca 0.03 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 2ckj s LEU 844 Cb -0.04 -1.75 0.01 0.00 0.50 0.00 0.00 46.19 44.91 2ckj s LEU 844 CO -0.00 -0.05 -0.11 0.00 -1.32 0.00 0.00 176.35 174.86 2ckj s ALA 845 N 1.46 1.18 -0.05 5.97 0.00 -1.10 -0.27 121.76 128.95 2ckj s ALA 845 Ca 0.05 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.63 2ckj s ALA 845 Cb -0.15 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 2ckj s ALA 845 CO -0.03 0.11 0.02 1.03 0.00 0.00 0.00 175.76 176.89 2ckj s ARG 846 N 0.66 2.95 0.21 0.00 0.52 -1.18 -0.88 118.95 121.24 2ckj s ARG 846 Ca -0.14 -0.47 0.01 0.00 -0.52 0.00 0.00 55.73 54.61 2ckj s ARG 846 Cb -0.15 -2.78 -0.05 0.00 0.52 0.00 0.00 34.95 32.49 2ckj s ARG 846 CO 0.03 0.67 0.07 1.52 0.02 0.00 0.00 175.30 177.61 2ckj s TYR 847 N -1.00 1.32 -0.11 -0.53 -0.00 0.23 -2.00 117.35 115.26 2ckj s TYR 847 Ca 0.17 -1.16 -0.05 0.00 -0.00 0.00 0.00 57.07 56.03 2ckj s TYR 847 Cb -0.12 -0.75 0.05 0.00 -0.00 0.00 0.00 41.96 41.15 2ckj s TYR 847 CO 0.07 -0.36 0.24 0.21 -0.00 0.00 0.00 175.55 175.71 2ckj s LYS 848 N -4.02 0.17 -0.09 -3.49 2.20 -0.66 -1.70 119.74 112.16 2ckj s LYS 848 Ca 0.32 0.60 -0.01 0.00 -0.36 0.00 0.00 55.97 56.52 2ckj s LYS 848 Cb 0.07 -0.10 0.03 0.00 -1.51 0.00 0.00 37.83 36.31 2ckj s LYS 848 CO 0.09 -0.22 -0.02 0.54 -0.36 0.00 0.00 175.35 175.38 2ckj s VAL 849 N 1.73 0.61 -0.06 4.02 0.11 0.93 -1.47 120.40 126.26 2ckj s VAL 849 Ca -0.05 -0.05 -0.15 0.00 -2.93 0.00 0.00 61.98 58.81 2ckj s VAL 849 Cb -0.11 -0.73 -0.05 0.00 -1.53 0.00 0.00 36.38 33.96 2ckj s VAL 849 CO -0.08 0.28 0.38 -0.83 -3.33 0.00 0.00 175.10 171.52 2ckj s GLY 850 N 1.88 2.39 0.03 6.54 0.00 -0.10 -2.79 107.32 115.27 2ckj s GLY 850 Ca 0.05 -0.29 -0.18 0.00 0.00 0.00 0.00 44.72 44.30 2ckj s GLY 850 CO -0.06 0.31 0.41 -0.11 0.00 0.00 0.00 173.10 173.64 2ckj s PHE 851 N -0.40 -0.27 0.84 1.90 -0.12 -0.43 -1.92 117.98 117.58 2ckj s PHE 851 Ca 0.22 0.27 -0.12 0.00 -0.05 0.00 0.00 56.93 57.25 2ckj s PHE 851 Cb -0.15 0.21 0.09 0.00 -0.63 0.00 0.00 43.02 42.54 2ckj s PHE 851 CO 0.10 -0.55 1.13 -1.64 -0.05 0.00 0.00 175.22 174.21 2ckj s MET 852 N -2.28 1.75 0.00 1.99 -1.94 -0.14 -1.93 119.30 116.75 2ckj s MET 852 Ca -0.07 0.37 0.22 0.00 -1.71 0.00 0.00 55.69 54.50 2ckj s MET 852 Cb -0.01 -1.90 0.79 0.00 2.01 0.00 0.00 34.83 35.72 2ckj s MET 852 CO -0.01 -1.79 1.58 0.36 -0.01 0.00 0.00 175.02 175.15 2ckj n LYS 853 N -3.50 1.75 0.12 2.03 2.85 -1.26 -1.73 118.16 118.41 2ckj n LYS 853 Ca 0.07 -1.11 -0.03 0.00 -1.05 0.00 0.00 58.31 56.19 2ckj n LYS 853 Cb 0.59 -1.41 0.12 0.00 -0.65 0.00 0.00 35.03 33.67 2ckj n LYS 853 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 2ckj h THR 854 N 2.33 1.47 0.00 0.58 1.35 -2.00 -3.48 112.91 113.16 2ckj h THR 854 Ca 0.00 -2.29 0.00 0.00 -0.55 0.00 0.00 66.41 63.57 2ckj h THR 854 Cb 0.51 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 2ckj h THR 854 CO 0.00 0.66 0.00 0.61 -0.25 0.00 0.00 175.52 176.54 2ckj n GLY 855 N 0.43 0.96 3.68 5.82 0.00 -0.70 -4.97 105.19 110.41 2ckj n GLY 855 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2ckj n GLY 855 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ckj s THR 856 N -2.00 3.85 0.20 2.61 2.01 -1.25 -4.82 115.64 116.24 2ckj s THR 856 Ca 0.00 1.19 -0.12 0.00 0.31 0.00 0.00 61.69 63.06 2ckj s THR 856 Cb 0.00 -3.76 -0.07 0.00 0.01 0.00 0.00 72.50 68.67 2ckj s THR 856 CO 0.00 -0.03 0.57 0.54 -0.69 0.00 0.00 174.62 175.01 2ckj s VAL 857 N 2.68 4.87 0.00 3.82 0.11 -1.26 -0.97 120.40 129.65 2ckj s VAL 857 Ca 0.62 0.69 0.00 0.00 -2.93 0.00 0.00 61.98 60.36 2ckj s VAL 857 Cb -0.29 -3.68 0.00 0.00 -1.53 0.00 0.00 36.38 30.88 2ckj s VAL 857 CO 0.24 0.07 0.00 0.52 -3.33 0.00 0.00 175.10 172.61 2ckj n VAL 858 N 0.30 0.00 -3.67 2.04 0.31 -0.81 -4.76 118.33 111.74 2ckj n VAL 858 Ca -0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.20 2ckj n VAL 858 Cb 0.52 -0.54 -0.05 0.00 -0.91 0.00 0.00 33.84 32.86 2ckj n VAL 858 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ckj s ALA 859 N -1.56 -0.86 -0.23 3.52 0.00 -1.02 -4.14 121.76 117.46 2ckj s ALA 859 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 51.96 51.85 2ckj s ALA 859 Cb 0.00 0.56 0.09 0.00 0.00 0.00 0.00 23.12 23.77 2ckj s ALA 859 CO 0.00 -0.56 0.52 -1.17 0.00 0.00 0.00 175.76 174.54 2ckj s LEU 860 N -2.55 -0.68 -0.16 0.00 2.96 -0.57 -0.92 118.68 116.77 2ckj s LEU 860 Ca 0.00 1.19 0.02 0.00 -0.22 0.00 0.00 54.13 55.13 2ckj s LEU 860 Cb 0.01 1.75 0.02 0.00 0.50 0.00 0.00 46.19 48.47 2ckj s LEU 860 CO -0.09 -0.22 -0.21 -0.70 -1.32 0.00 0.00 176.35 173.81 2ckj s GLU 861 N 2.20 2.96 -0.02 1.98 2.12 -0.54 -1.07 118.70 126.33 2ckj s GLU 861 Ca -0.06 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.45 2ckj s GLU 861 Cb -0.10 -2.47 0.02 0.00 0.26 0.00 0.00 34.13 31.85 2ckj s GLU 861 CO -0.15 -0.11 0.00 0.08 -0.54 0.00 0.00 175.26 174.54 2ckj s VAL 862 N 1.06 0.10 -0.30 3.70 1.01 -0.24 -1.65 120.40 124.09 2ckj s VAL 862 Ca -0.01 0.09 -0.10 0.00 0.00 0.00 0.00 61.98 61.96 2ckj s VAL 862 Cb -0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 2ckj s VAL 862 CO -0.07 0.11 0.15 -1.81 0.00 0.00 0.00 175.10 173.47 2ckj s ASP 863 N 0.80 5.60 -0.07 3.32 1.01 -0.85 -2.32 116.67 124.15 2ckj s ASP 863 Ca -0.07 -0.36 -0.10 0.00 0.71 0.00 0.00 52.55 52.72 2ckj s ASP 863 Cb -0.11 -2.02 -0.05 0.00 1.01 0.00 0.00 42.92 41.76 2ckj s ASP 863 CO -0.02 -0.14 0.25 -1.00 0.21 0.00 0.00 175.17 174.47 2ckj s HIS 864 N 1.65 3.64 -0.25 4.23 3.76 -1.06 -3.08 115.29 124.19 2ckj s HIS 864 Ca 0.06 0.71 -0.02 0.00 -0.15 0.00 0.00 55.06 55.66 2ckj s HIS 864 Cb -0.16 -2.09 0.13 0.00 1.11 0.00 0.00 32.58 31.57 2ckj s HIS 864 CO 0.07 0.68 0.37 -0.59 -0.85 0.00 0.00 174.74 174.42 2ckj s PHE 865 N -0.98 -0.81 0.00 1.40 -0.12 0.62 -1.93 117.98 116.16 2ckj s PHE 865 Ca 0.18 0.73 0.00 0.00 -0.05 0.00 0.00 56.93 57.79 2ckj s PHE 865 Cb -0.14 -0.03 0.00 0.00 -0.63 0.00 0.00 43.02 42.23 2ckj s PHE 865 CO 0.08 -0.75 0.00 0.45 -0.05 0.00 0.00 175.22 174.95 2ckj n SER 866 N 5.36 0.00 -4.53 1.98 2.88 -1.23 0.79 113.62 118.88 2ckj n SER 866 Ca -0.03 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.09 2ckj n SER 866 Cb 0.50 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.93 2ckj n SER 866 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2ckj s ASN 867 N 0.00 6.27 0.14 -3.46 3.84 -1.06 -1.74 114.94 118.93 2ckj s ASN 867 Ca 0.00 -0.87 -0.06 0.00 0.21 0.00 0.00 52.86 52.14 2ckj s ASN 867 Cb 0.00 -2.53 -0.04 0.00 -0.55 0.00 0.00 41.25 38.13 2ckj s ASN 867 CO 0.00 -1.65 1.36 0.58 -2.79 0.00 0.00 177.10 174.60 2ckj h VAL 868 N 6.19 1.35 0.00 -5.21 2.07 -1.78 -3.42 116.25 115.45 2ckj h VAL 868 Ca -0.14 -2.15 0.00 0.00 0.82 0.00 0.00 66.70 65.23 2ckj h VAL 868 Cb 1.04 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 2ckj h VAL 868 CO 1.29 0.66 0.00 0.61 0.02 0.00 0.00 177.57 180.15 2ckj n GLY 869 N 0.69 -0.13 1.76 2.17 0.00 -1.26 -0.97 105.19 107.46 2ckj n GLY 869 Ca -0.06 -1.31 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 2ckj n GLY 869 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ckj n ASN 870 N 1.06 3.62 -3.57 1.61 6.94 0.48 -2.80 115.26 122.61 2ckj n ASN 870 Ca 0.00 -3.53 -0.12 0.00 -0.02 0.00 0.00 54.58 50.90 2ckj n ASN 870 Cb 0.00 -0.74 -0.06 0.00 -2.36 0.00 0.00 39.78 36.63 2ckj n ASN 870 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2ckj s THR 871 N -3.18 0.00 0.03 5.53 -1.32 -1.26 -4.88 115.64 110.55 2ckj s THR 871 Ca 0.52 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.73 2ckj s THR 871 Cb 0.44 -1.00 -0.17 0.00 -1.51 0.00 0.00 72.50 70.26 2ckj s THR 871 CO 0.08 0.00 1.40 -0.61 -2.21 0.00 0.00 174.62 173.28 2ckj h GLN 872 N 2.86 -0.44 0.00 7.08 4.15 -1.92 -3.45 115.11 123.40 2ckj h GLN 872 Ca -0.21 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.24 2ckj h GLN 872 Cb 1.16 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.95 2ckj h GLN 872 CO 0.31 -0.17 0.00 -3.47 -1.93 0.00 0.00 178.83 173.57 2ckj n ASP 873 N -5.20 -1.54 0.00 -0.69 -0.08 -1.26 -2.54 116.55 105.25 2ckj n ASP 873 Ca -0.10 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.18 2ckj n ASP 873 Cb 0.25 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.71 2ckj n ASP 873 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2ckj n LEU 874 N 0.00 0.00 0.31 -2.67 4.77 -1.26 -4.30 117.00 113.85 2ckj n LEU 874 Ca 0.00 0.07 0.19 0.00 -0.03 0.00 0.00 56.01 56.24 2ckj n LEU 874 Cb 0.00 -0.07 1.03 0.00 -2.33 0.00 0.00 43.42 42.05 2ckj n LEU 874 CO 0.00 -0.07 1.16 0.28 -1.33 0.00 0.00 177.39 177.43 2ckj h SER 875 N 0.00 0.00 0.27 -1.43 0.02 -1.81 -1.09 113.55 109.51 2ckj h SER 875 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2ckj h SER 875 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2ckj h SER 875 CO 0.00 0.00 -0.13 -0.61 -1.14 0.00 0.00 176.83 174.95 2ckj h GLN 876 N 0.00 -0.34 -0.00 3.45 4.15 -1.84 -2.51 115.11 118.01 2ckj h GLN 876 Ca 0.02 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.46 2ckj h GLN 876 Cb 0.26 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.03 2ckj h GLN 876 CO -0.00 -0.06 0.00 0.77 -1.93 0.00 0.00 178.83 177.62 2ckj h SER 877 N -1.00 0.00 -0.27 -0.69 0.02 -1.55 -0.99 113.55 109.06 2ckj h SER 877 Ca -0.04 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 2ckj h SER 877 Cb 0.44 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 2ckj h SER 877 CO 0.06 0.00 0.02 0.40 -1.14 0.00 0.00 176.83 176.17 2ckj h ILE 878 N 0.00 1.25 -0.57 3.27 2.04 -1.43 -2.02 117.51 120.05 2ckj h ILE 878 Ca 0.00 -0.86 0.08 0.00 1.00 0.00 0.00 64.86 65.08 2ckj h ILE 878 Cb 0.01 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 2ckj h ILE 878 CO -0.00 0.28 0.38 -0.03 0.00 0.00 0.00 178.15 178.78 2ckj h MET 879 N 0.26 0.43 0.52 2.37 4.05 -0.72 -2.23 114.93 119.61 2ckj h MET 879 Ca 0.08 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.45 2ckj h MET 879 Cb 0.39 -0.10 0.01 0.00 -0.80 0.00 0.00 31.60 31.09 2ckj h MET 879 CO 0.01 0.29 -0.25 0.93 0.23 0.00 0.00 176.91 178.12 2ckj h GLU 880 N 0.44 -0.67 -0.16 0.39 5.08 -1.32 -1.98 114.58 116.37 2ckj h GLU 880 Ca 0.26 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.71 2ckj h GLU 880 Cb 0.43 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2ckj h GLU 880 CO -0.07 -0.38 0.39 -0.09 -1.00 0.00 0.00 179.01 177.86 2ckj h ARG 881 N -1.09 0.00 -0.07 2.33 2.43 -0.81 0.43 114.38 117.61 2ckj h ARG 881 Ca -0.07 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.95 2ckj h ARG 881 Cb 0.60 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.16 2ckj h ARG 881 CO 0.12 0.00 -0.53 0.00 -1.51 0.00 0.00 179.97 178.05 2ckj h ALA 882 N 1.37 0.15 -0.13 2.80 0.00 -0.93 -3.18 119.26 119.36 2ckj h ALA 882 Ca 0.08 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2ckj h ALA 882 Cb 0.86 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2ckj h ALA 882 CO -0.00 0.36 -0.04 -0.07 0.00 0.00 0.00 179.25 179.50 2ckj h LEU 883 N 0.03 0.25 0.00 0.00 3.38 0.53 -1.99 115.31 117.51 2ckj h LEU 883 Ca -0.05 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2ckj h LEU 883 Cb 1.19 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2ckj h LEU 883 CO 0.11 0.57 0.17 0.49 0.09 0.00 0.00 178.44 179.87 2ckj n PHE 884 N -4.72 0.00 -0.08 1.13 0.99 -0.37 -1.35 117.46 113.07 2ckj n PHE 884 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.39 2ckj n PHE 884 Cb 0.26 -0.23 0.00 0.00 -1.00 0.00 0.00 39.48 38.51 2ckj n PHE 884 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 2ckj n HIS 885 N -1.18 0.00 -0.07 1.38 8.25 -0.77 -4.81 115.22 118.02 2ckj n HIS 885 Ca 0.00 -0.12 0.13 0.00 -0.26 0.00 0.00 57.72 57.46 2ckj n HIS 885 Cb 0.17 -0.01 0.52 0.00 1.12 0.00 0.00 29.99 31.79 2ckj n HIS 885 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ckj h MET 886 N 0.00 0.35 -0.36 -0.41 -0.00 -0.95 -2.62 114.93 110.93 2ckj h MET 886 Ca 0.00 -0.02 0.09 0.00 -0.00 0.00 0.00 59.70 59.77 2ckj h MET 886 Cb 0.17 -0.08 -0.02 0.00 -0.00 0.00 0.00 31.60 31.68 2ckj h MET 886 CO 0.00 0.23 0.25 0.38 -0.00 0.00 0.00 176.91 177.78 2ckj h ASP 887 N 0.36 0.08 0.00 -0.10 2.03 -1.87 -3.41 116.42 113.52 2ckj h ASP 887 Ca 0.27 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.57 2ckj h ASP 887 Cb 0.57 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.05 2ckj h ASP 887 CO -0.07 0.05 0.00 -3.20 -1.03 0.00 0.00 179.24 174.99 2ckj n ASN 888 N -4.45 0.00 -2.42 4.15 2.85 -0.99 -1.41 115.26 112.99 2ckj n ASN 888 Ca 0.05 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.40 2ckj n ASN 888 Cb 0.37 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.43 2ckj n ASN 888 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ckj s TYR 890 N -3.68 2.47 -0.16 0.00 4.12 -0.50 -2.54 117.35 117.07 2ckj s TYR 890 Ca 0.39 -0.65 -0.17 0.00 0.02 0.00 0.00 57.07 56.67 2ckj s TYR 890 Cb 0.37 -1.61 -0.04 0.00 -1.52 0.00 0.00 41.96 39.16 2ckj s TYR 890 CO -0.00 -0.17 0.41 -1.59 0.02 0.00 0.00 175.55 174.23 2ckj s LYS 891 N -0.22 4.26 -0.44 -0.62 -2.85 -0.95 -4.75 119.74 114.18 2ckj s LYS 891 Ca -0.02 0.29 0.05 0.00 -1.00 0.00 0.00 55.97 55.30 2ckj s LYS 891 Cb -0.13 -3.47 0.19 0.00 -2.06 0.00 0.00 37.83 32.35 2ckj s LYS 891 CO 0.03 0.10 0.74 -1.50 0.10 0.00 0.00 175.35 174.82 2ckj s ILE 892 N 0.86 -0.87 -1.84 3.79 2.07 -1.26 -4.89 121.20 119.05 2ckj s ILE 892 Ca 0.22 -0.41 0.29 0.00 -1.41 0.00 0.00 60.65 59.34 2ckj s ILE 892 Cb -0.14 0.00 0.51 0.00 0.13 0.00 0.00 42.46 42.96 2ckj s ILE 892 CO 0.08 0.00 1.86 -0.81 -1.91 0.00 0.00 174.94 174.16 2ckj n PRO 893 N 3.64 0.90 -3.69 3.50 -0.05 -1.26 -4.48 135.00 133.56 2ckj n PRO 893 Ca 0.13 -0.35 -0.14 0.00 -0.05 0.00 0.00 63.50 63.10 2ckj n PRO 893 Cb 0.58 -1.49 -0.14 0.00 -0.05 0.00 0.00 33.50 32.40 2ckj n PRO 893 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 175.50 174.65 2ckj s ASN 894 N -2.34 0.28 -0.28 3.54 0.01 -1.26 -4.04 114.94 110.85 2ckj s ASN 894 Ca 0.32 0.48 -0.15 0.00 -0.71 0.00 0.00 52.86 52.80 2ckj s ASN 894 Cb 0.20 0.47 0.10 0.00 0.41 0.00 0.00 41.25 42.43 2ckj s ASN 894 CO 0.44 -0.22 0.73 -0.51 -1.51 0.00 0.00 177.10 176.03 2ckj s ILE 895 N 2.01 -0.13 -0.06 0.60 2.07 -0.78 -1.51 121.20 123.40 2ckj s ILE 895 Ca -0.02 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.21 2ckj s ILE 895 Cb -0.12 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.50 2ckj s ILE 895 CO -0.08 0.00 0.01 -0.60 -1.91 0.00 0.00 174.94 172.37 2ckj s ARG 896 N 1.77 0.46 -0.04 3.50 3.52 -0.23 -2.74 118.95 125.19 2ckj s ARG 896 Ca -0.09 0.16 0.05 0.00 -0.13 0.00 0.00 55.73 55.72 2ckj s ARG 896 Cb -0.06 -0.86 -0.01 0.00 -1.56 0.00 0.00 34.95 32.47 2ckj s ARG 896 CO -0.19 -0.30 -0.19 0.20 -0.81 0.00 0.00 175.30 174.01 2ckj s GLY 897 N 1.95 1.00 0.25 8.12 0.00 -0.94 -1.08 107.32 116.63 2ckj s GLY 897 Ca 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.96 2ckj s GLY 897 CO -0.05 -0.51 0.01 -1.30 0.00 0.00 0.00 173.10 171.26 2ckj n THR 898 N 2.95 0.00 -3.64 0.90 -2.24 -0.98 -0.65 114.28 110.62 2ckj n THR 898 Ca -0.17 -1.21 -0.03 0.00 -2.27 0.00 0.00 64.05 60.36 2ckj n THR 898 Cb 0.53 0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 68.98 2ckj n THR 898 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ckj s GLY 899 N -2.39 0.11 0.26 3.38 0.00 -0.23 -2.56 107.32 105.89 2ckj s GLY 899 Ca 0.01 2.93 0.11 0.00 0.00 0.00 0.00 44.72 47.77 2ckj s GLY 899 CO 0.01 1.35 -0.11 0.50 0.00 0.00 0.00 173.10 174.85 2ckj s ARG 900 N -0.70 1.95 -0.33 2.90 1.81 -0.81 -1.93 118.95 121.83 2ckj s ARG 900 Ca 0.07 -1.57 0.00 0.00 -1.72 0.00 0.00 55.73 52.51 2ckj s ARG 900 Cb -0.02 -1.97 0.08 0.00 -0.45 0.00 0.00 34.95 32.59 2ckj s ARG 900 CO -0.09 0.36 0.04 -0.51 -0.68 0.00 0.00 175.30 174.42 2ckj s LEU 901 N -3.47 4.37 -0.12 2.53 1.43 -1.26 -4.45 118.68 117.71 2ckj s LEU 901 Ca 0.30 -1.71 -0.23 0.00 -1.03 0.00 0.00 54.13 51.45 2ckj s LEU 901 Cb -0.06 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 2ckj s LEU 901 CO 0.17 -0.35 0.70 0.00 0.23 0.00 0.00 176.35 177.10 2ckj s LYS 903 N 1.38 4.78 0.21 0.00 2.20 -1.26 -2.17 119.74 124.87 2ckj s LYS 903 Ca 0.35 1.44 -0.20 0.00 -0.36 0.00 0.00 55.97 57.20 2ckj s LYS 903 Cb -0.17 -3.31 0.04 0.00 -1.51 0.00 0.00 37.83 32.88 2ckj s LYS 903 CO 0.15 0.43 0.59 0.95 -0.36 0.00 0.00 175.35 177.10 2ckj s THR 904 N -0.79 0.01 -0.80 3.43 -4.23 -1.12 -4.70 115.64 107.44 2ckj s THR 904 Ca 0.42 -0.64 -0.01 0.00 -1.18 0.00 0.00 61.69 60.28 2ckj s THR 904 Cb -0.25 -1.54 0.36 0.00 1.34 0.00 0.00 72.50 72.41 2ckj s THR 904 CO 0.31 -0.06 1.88 0.59 -0.54 0.00 0.00 174.62 176.80 2ckj n ASN 905 N -0.38 7.11 -4.37 3.99 5.03 -0.24 -3.02 115.26 123.38 2ckj n ASN 905 Ca -0.10 -3.81 -0.30 0.00 0.87 0.00 0.00 54.58 51.24 2ckj n ASN 905 Cb 0.62 -0.99 -0.14 0.00 -1.02 0.00 0.00 39.78 38.26 2ckj n ASN 905 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2ckj s LEU 906 N -4.01 2.27 0.61 3.41 1.43 -1.26 -3.74 118.68 117.38 2ckj s LEU 906 Ca 0.51 -0.62 -0.19 0.00 -1.03 0.00 0.00 54.13 52.80 2ckj s LEU 906 Cb 0.42 -1.30 -0.03 0.00 0.03 0.00 0.00 46.19 45.31 2ckj s LEU 906 CO -0.37 0.23 1.23 -2.16 0.23 0.00 0.00 176.35 175.52 2ckj s PRO 907 N -1.52 2.87 0.11 1.29 0.04 -1.26 -0.39 135.00 136.14 2ckj s PRO 907 Ca 0.13 1.90 -0.31 0.00 0.04 0.00 0.00 61.00 62.76 2ckj s PRO 907 Cb -0.10 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 2ckj s PRO 907 CO 0.04 -1.30 1.50 0.45 0.04 0.00 0.00 177.00 177.73 2ckj s SER 908 N -1.53 6.70 0.66 6.66 0.15 -1.26 -4.49 113.70 120.60 2ckj s SER 908 Ca 0.79 2.43 -0.11 0.00 0.70 0.00 0.00 55.95 59.75 2ckj s SER 908 Cb -0.32 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.39 2ckj s SER 908 CO 0.35 -0.76 1.06 0.20 1.20 0.00 0.00 173.24 175.28 2ckj s ASN 909 N 1.48 5.80 0.01 5.45 0.01 -0.15 -4.54 114.94 123.01 2ckj s ASN 909 Ca 0.68 1.35 0.00 0.00 -0.71 0.00 0.00 52.86 54.19 2ckj s ASN 909 Cb -0.39 -2.29 -0.00 0.00 0.41 0.00 0.00 41.25 38.98 2ckj s ASN 909 CO 0.30 -1.14 0.01 0.41 -1.51 0.00 0.00 177.10 175.18 2ckj n THR 910 N -2.91 0.00 -1.74 1.60 -1.04 -0.90 -4.81 114.28 104.48 2ckj n THR 910 Ca 0.06 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.05 61.56 2ckj n THR 910 Cb 0.55 0.05 -0.02 0.00 -1.82 0.00 0.00 70.33 69.09 2ckj n THR 910 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ckj n ALA 911 N -2.91 2.71 -3.67 2.41 0.00 -1.26 -4.42 120.51 113.38 2ckj n ALA 911 Ca -0.01 0.38 -0.15 0.00 0.00 0.00 0.00 53.44 53.67 2ckj n ALA 911 Cb 0.03 -2.49 -0.14 0.00 0.00 0.00 0.00 19.45 16.84 2ckj n ALA 911 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2ckj s PHE 912 N 0.40 -0.33 0.00 0.00 5.99 -1.26 -2.90 117.98 119.88 2ckj s PHE 912 Ca 0.68 0.82 0.00 0.00 0.00 0.00 0.00 56.93 58.43 2ckj s PHE 912 Cb -0.49 -0.11 0.00 0.00 0.00 0.00 0.00 43.02 42.42 2ckj s PHE 912 CO 0.43 -0.31 0.00 -2.13 -0.00 0.00 0.00 175.22 173.21 2ckj n ARG 913 N 5.25 0.00 0.00 10.12 0.63 -0.83 -2.33 116.66 129.50 2ckj n ARG 913 Ca -0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 2ckj n ARG 913 Cb 0.50 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.41 2ckj n ARG 913 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ckj n GLY 914 N 0.09 3.93 2.91 5.14 0.00 -1.26 -4.90 105.19 111.10 2ckj n GLY 914 Ca 0.00 -0.83 -0.20 0.00 0.00 0.00 0.00 46.02 44.99 2ckj n GLY 914 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2ckj n PHE 915 N 0.00 -1.66 -0.46 1.61 -0.00 -0.98 -1.76 117.46 114.20 2ckj n PHE 915 Ca 0.00 0.31 0.00 0.00 -0.00 0.00 0.00 57.45 57.76 2ckj n PHE 915 Cb 0.00 -3.45 0.00 0.00 -0.00 0.00 0.00 39.48 36.03 2ckj n PHE 915 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2ckj n GLY 916 N -1.16 0.73 0.07 7.13 0.00 -1.26 -4.52 105.19 106.18 2ckj n GLY 916 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 2ckj n GLY 916 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ckj h GLY 917 N 0.00 0.07 1.66 -0.02 0.00 -1.57 -3.26 103.07 99.94 2ckj h GLY 917 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2ckj h GLY 917 CO 0.00 0.05 0.23 -0.56 0.00 0.00 0.00 176.54 176.27 2ckj h PRO 918 N -0.32 0.46 -6.30 4.80 0.13 -1.81 -3.39 132.00 125.58 2ckj h PRO 918 Ca 0.01 -0.03 -0.55 0.00 -0.87 0.00 0.00 66.00 64.56 2ckj h PRO 918 Cb 0.42 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.43 2ckj h PRO 918 CO 0.00 0.31 0.84 -0.65 -0.23 0.00 0.00 178.00 178.28 2ckj s GLN 919 N -5.43 4.28 0.00 0.86 1.11 -1.23 -4.42 119.66 114.82 2ckj s GLN 919 Ca -0.08 1.86 0.00 0.00 0.01 0.00 0.00 55.36 57.15 2ckj s GLN 919 Cb 0.17 -3.65 0.00 0.00 -1.01 0.00 0.00 33.01 28.52 2ckj s GLN 919 CO 0.72 -0.60 0.00 0.41 0.01 0.00 0.00 175.29 175.83 2ckj n GLY 920 N 3.63 0.00 1.43 3.09 0.00 -1.26 -4.77 105.19 107.30 2ckj n GLY 920 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 2ckj n GLY 920 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2ckj n MET 921 N 0.74 -0.43 0.00 1.61 0.00 -1.15 -4.18 117.12 113.71 2ckj n MET 921 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 57.70 57.78 2ckj n MET 921 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 33.22 30.82 2ckj n MET 921 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 2ckj n LEU 922 N -1.46 0.00 0.00 -0.89 -0.00 -1.26 -4.58 117.00 108.80 2ckj n LEU 922 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 2ckj n LEU 922 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 2ckj n LEU 922 CO 0.06 0.00 0.20 -0.38 -0.00 0.00 0.00 177.39 177.27 2ckj n ILE 923 N 0.00 0.00 -1.69 1.96 2.08 -1.26 -4.23 119.36 116.23 2ckj n ILE 923 Ca 0.00 0.91 -0.43 0.00 0.56 0.00 0.00 62.75 63.79 2ckj n ILE 923 Cb 0.00 -1.85 -0.03 0.00 -0.75 0.00 0.00 39.64 37.01 2ckj n ILE 923 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2ckj n ALA 924 N -1.01 2.04 0.00 -1.39 0.00 -1.26 -2.95 120.51 115.94 2ckj n ALA 924 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2ckj n ALA 924 Cb 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 16.87 2ckj n ALA 924 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2ckj n GLU 925 N 5.64 0.00 0.00 0.00 0.00 -1.26 -2.94 120.64 122.08 2ckj n GLU 925 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.34 2ckj n GLU 925 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.80 2ckj n GLU 925 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2ckj n TRP 927 N -0.03 0.00 0.25 0.00 -0.00 -1.26 -1.14 117.44 115.26 2ckj n TRP 927 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.50 57.34 2ckj n TRP 927 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 31.31 31.23 2ckj n TRP 927 CO 0.00 0.00 0.00 1.98 -0.00 0.00 0.00 177.69 179.67 2ckj h MET 928 N 0.00 -0.74 0.00 5.87 4.05 -1.83 -0.01 114.93 122.27 2ckj h MET 928 Ca 0.00 0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 2ckj h MET 928 Cb 0.00 0.17 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 2ckj h MET 928 CO 0.00 -0.49 0.00 -1.13 0.23 0.00 0.00 176.91 175.52 2ckj n SER 929 N -5.47 0.22 0.03 1.39 3.41 -0.65 -1.92 113.62 110.64 2ckj n SER 929 Ca -0.10 0.54 -0.11 0.00 -0.26 0.00 0.00 58.87 58.94 2ckj n SER 929 Cb 0.37 -0.60 -0.13 0.00 -0.26 0.00 0.00 64.21 63.59 2ckj n SER 929 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2ckj h GLU 930 N 0.00 0.09 0.00 4.33 5.08 -0.71 -2.62 114.58 120.75 2ckj h GLU 930 Ca 0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2ckj h GLU 930 Cb 0.38 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2ckj h GLU 930 CO 0.00 0.87 0.00 0.28 -1.00 0.00 0.00 179.01 179.16 2ckj n VAL 931 N -3.28 0.00 0.07 3.13 0.31 -0.06 -2.00 118.33 116.50 2ckj n VAL 931 Ca -0.12 0.99 0.11 0.00 -0.01 0.00 0.00 64.34 65.31 2ckj n VAL 931 Cb 1.01 -1.78 0.17 0.00 -0.91 0.00 0.00 33.84 32.34 2ckj n VAL 931 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ckj n ALA 932 N -0.77 0.40 -0.03 3.52 0.00 -1.04 0.11 120.51 122.69 2ckj n ALA 932 Ca 0.00 0.14 -0.21 0.00 0.00 0.00 0.00 53.44 53.36 2ckj n ALA 932 Cb 0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 19.45 19.08 2ckj n ALA 932 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ckj n VAL 933 N -2.61 1.70 -0.08 0.00 0.31 -0.99 -2.16 118.33 114.50 2ckj n VAL 933 Ca 0.09 -0.52 -0.07 0.00 -0.01 0.00 0.00 64.34 63.83 2ckj n VAL 933 Cb 1.10 -1.76 -0.00 0.00 -0.91 0.00 0.00 33.84 32.27 2ckj n VAL 933 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2ckj h THR 934 N -0.17 0.82 0.15 2.52 2.02 0.14 -2.83 112.91 115.56 2ckj h THR 934 Ca -0.44 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 66.71 2ckj h THR 934 Cb 1.87 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.95 2ckj h THR 934 CO -0.01 0.02 -0.25 0.00 0.37 0.00 0.00 175.52 175.65 2ckj n GLY 936 N -1.37 0.16 0.00 0.00 0.00 -0.92 -5.08 105.19 97.97 2ckj n GLY 936 Ca -0.07 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.83 2ckj n GLY 936 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2ckj n MET 937 N 2.24 0.00 -0.26 1.61 3.85 -1.25 -4.99 117.12 118.33 2ckj n MET 937 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 57.70 56.60 2ckj n MET 937 Cb 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 33.22 32.16 2ckj n MET 937 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2ckj n PRO 938 N 0.00 0.00 -0.16 3.17 -0.01 -1.26 -4.82 135.00 131.91 2ckj n PRO 938 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 63.50 63.55 2ckj n PRO 938 Cb 0.00 -0.24 0.35 0.00 -0.01 0.00 0.00 33.50 33.60 2ckj n PRO 938 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2ckj h ALA 939 N 0.46 1.68 0.17 3.55 0.00 -1.98 -2.96 119.26 120.18 2ckj h ALA 939 Ca -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2ckj h ALA 939 Cb 0.25 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2ckj h ALA 939 CO 0.11 0.22 -0.39 1.49 0.00 0.00 0.00 179.25 180.68 2ckj h GLU 940 N 0.76 -0.59 -0.96 0.00 4.22 -1.96 -2.79 114.58 113.25 2ckj h GLU 940 Ca 0.29 0.04 0.31 0.00 0.08 0.00 0.00 59.36 60.08 2ckj h GLU 940 Cb 0.18 0.13 -0.15 0.00 0.50 0.00 0.00 28.75 29.41 2ckj h GLU 940 CO -0.09 -0.39 0.41 1.49 -2.18 0.00 0.00 179.01 178.25 2ckj h GLU 941 N -0.61 0.20 -0.06 1.92 4.81 -1.89 -1.03 114.58 117.92 2ckj h GLU 941 Ca -0.02 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 2ckj h GLU 941 Cb 0.59 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 2ckj h GLU 941 CO -0.17 0.14 -0.34 0.28 -0.73 0.00 0.00 179.01 178.19 2ckj h VAL 942 N 0.21 1.26 0.00 0.32 2.07 -1.42 -1.53 116.25 117.16 2ckj h VAL 942 Ca 0.69 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 2ckj h VAL 942 Cb 1.55 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.92 2ckj h VAL 942 CO -0.68 0.37 -0.10 0.03 0.02 0.00 0.00 177.57 177.21 2ckj h ARG 943 N 0.11 0.00 -0.90 1.57 3.08 -1.15 -3.28 114.38 113.82 2ckj h ARG 943 Ca 0.01 0.00 0.25 0.00 0.07 0.00 0.00 59.98 60.31 2ckj h ARG 943 Cb 0.65 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.56 2ckj h ARG 943 CO 0.05 0.66 0.26 -0.09 -1.07 0.00 0.00 179.97 179.78 2ckj h ARG 944 N -1.00 0.19 -0.94 0.04 2.43 -1.33 -1.81 114.38 111.96 2ckj h ARG 944 Ca -0.02 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.21 2ckj h ARG 944 Cb 0.70 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.14 2ckj h ARG 944 CO -0.01 0.13 0.61 -0.22 -1.51 0.00 0.00 179.97 178.96 2ckj h LYS 945 N 0.20 1.00 -1.22 0.20 3.64 -1.33 -3.12 116.57 115.93 2ckj h LYS 945 Ca 0.58 -0.06 -0.50 0.00 -1.27 0.00 0.00 60.65 59.40 2ckj h LYS 945 Cb 1.19 -0.23 -0.41 0.00 -0.41 0.00 0.00 32.23 32.37 2ckj h LYS 945 CO -0.67 0.66 -0.89 0.27 -2.27 0.00 0.00 179.45 176.55 2ckj n ASN 946 N -4.52 3.66 -4.76 4.20 2.04 -0.68 -5.04 115.26 110.16 2ckj n ASN 946 Ca 0.15 -3.35 -0.40 0.00 -0.44 0.00 0.00 54.58 50.55 2ckj n ASN 946 Cb 0.24 -0.47 -0.06 0.00 -2.53 0.00 0.00 39.78 36.97 2ckj n ASN 946 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 2ckj s LEU 947 N -3.45 4.55 0.47 -4.53 1.43 -1.18 -2.23 118.68 113.75 2ckj s LEU 947 Ca 0.41 1.66 -0.18 0.00 -1.03 0.00 0.00 54.13 54.99 2ckj s LEU 947 Cb 0.41 -3.36 -0.15 0.00 0.03 0.00 0.00 46.19 43.12 2ckj s LEU 947 CO -0.09 0.12 -0.08 -1.22 0.23 0.00 0.00 176.35 175.31 2ckj n TYR 948 N 2.04 -2.69 -4.33 0.29 4.01 -1.05 -4.67 117.16 110.76 2ckj n TYR 948 Ca -0.03 0.48 -0.17 0.00 -0.16 0.00 0.00 57.90 58.01 2ckj n TYR 948 Cb 0.49 -1.67 -0.10 0.00 -0.31 0.00 0.00 39.34 37.75 2ckj n TYR 948 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2ckj s LYS 949 N -0.98 1.29 -0.31 -0.72 -2.85 -1.26 -4.98 119.74 109.93 2ckj s LYS 949 Ca 0.56 -1.61 -0.41 0.00 -1.00 0.00 0.00 55.97 53.52 2ckj s LYS 949 Cb -0.51 -0.83 -0.16 0.00 -2.06 0.00 0.00 37.83 34.26 2ckj s LYS 949 CO 0.64 0.05 1.75 -1.91 0.10 0.00 0.00 175.35 175.98 2ckj n GLU 950 N -0.37 1.05 -1.01 1.78 4.07 -1.26 -0.19 120.64 124.71 2ckj n GLU 950 Ca -0.07 0.38 -0.00 0.00 -0.06 0.00 0.00 57.16 57.41 2ckj n GLU 950 Cb 0.62 -2.06 -0.00 0.00 -0.06 0.00 0.00 31.44 29.94 2ckj n GLU 950 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2ckj n GLY 951 N 4.29 0.44 0.79 8.31 0.00 -0.42 -5.06 105.19 113.54 2ckj n GLY 951 Ca 0.28 -0.62 -0.07 0.00 0.00 0.00 0.00 46.02 45.60 2ckj n GLY 951 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ckj n ASP 952 N 1.11 -2.32 -3.94 1.61 8.00 0.73 -4.73 116.55 117.01 2ckj n ASP 952 Ca -0.00 -0.29 -0.12 0.00 0.71 0.00 0.00 54.79 55.09 2ckj n ASP 952 Cb 0.01 -0.24 -0.13 0.00 -0.02 0.00 0.00 41.12 40.74 2ckj n ASP 952 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 2ckj s LEU 953 N 0.00 2.10 0.94 0.64 0.05 -1.26 -2.96 118.68 118.18 2ckj s LEU 953 Ca 0.17 -0.22 -0.13 0.00 0.05 0.00 0.00 54.13 53.99 2ckj s LEU 953 Cb -0.03 -0.03 0.02 0.00 -2.05 0.00 0.00 46.19 44.10 2ckj s LEU 953 CO 0.14 -0.10 0.31 0.35 -0.55 0.00 0.00 176.35 176.50 2ckj n THR 954 N 2.45 0.12 0.00 5.48 -2.24 -0.91 -4.78 114.28 114.40 2ckj n THR 954 Ca -0.17 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 2ckj n THR 954 Cb 0.58 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2ckj n THR 954 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ckj n HIS 955 N -3.43 0.00 -0.78 4.78 1.44 -1.26 -0.22 115.22 115.75 2ckj n HIS 955 Ca 0.06 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.85 2ckj n HIS 955 Cb 0.53 -0.43 0.20 0.00 0.12 0.00 0.00 29.99 30.41 2ckj n HIS 955 CO 0.00 0.00 0.00 1.97 -2.81 0.00 0.00 176.34 175.50 2ckj n PHE 956 N -1.42 0.59 -3.74 -1.40 1.16 -1.26 -4.73 117.46 106.65 2ckj n PHE 956 Ca 0.00 -0.80 -0.25 0.00 -1.87 0.00 0.00 57.45 54.53 2ckj n PHE 956 Cb 0.02 -0.21 0.05 0.00 -1.61 0.00 0.00 39.48 37.73 2ckj n PHE 956 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 2ckj n ASN 957 N -0.51 -3.74 -4.68 5.98 3.02 0.69 -4.58 115.26 111.44 2ckj n ASN 957 Ca 0.17 -0.73 -0.34 0.00 -0.03 0.00 0.00 54.58 53.65 2ckj n ASN 957 Cb 0.71 -4.29 -0.09 0.00 -0.61 0.00 0.00 39.78 35.49 2ckj n ASN 957 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2ckj s GLN 958 N -6.24 2.89 -0.07 3.52 0.74 -1.26 -4.64 119.66 114.59 2ckj s GLN 958 Ca 0.38 -0.51 -0.30 0.00 0.05 0.00 0.00 55.36 54.99 2ckj s GLN 958 Cb -0.18 -2.73 -0.02 0.00 1.10 0.00 0.00 33.01 31.17 2ckj s GLN 958 CO 0.80 0.66 1.06 0.21 -0.55 0.00 0.00 175.29 177.47 2ckj s LYS 959 N -1.21 4.43 -1.07 1.67 2.20 -1.26 -2.14 119.74 122.36 2ckj s LYS 959 Ca 0.16 1.49 -0.23 0.00 -0.36 0.00 0.00 55.97 57.03 2ckj s LYS 959 Cb -0.11 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 2ckj s LYS 959 CO 0.06 -0.30 1.86 -0.51 -0.36 0.00 0.00 175.35 176.11 2ckj s LEU 960 N 1.83 3.23 0.29 5.43 1.43 -1.16 -5.01 118.68 124.73 2ckj s LEU 960 Ca 0.51 -1.34 -0.04 0.00 -1.03 0.00 0.00 54.13 52.23 2ckj s LEU 960 Cb -0.21 -2.57 -0.05 0.00 0.03 0.00 0.00 46.19 43.39 2ckj s LEU 960 CO 0.21 -2.57 0.54 -1.61 0.23 0.00 0.00 176.35 173.16 2ckj s GLU 961 N 6.27 3.60 -0.09 1.70 2.02 -1.26 -1.30 118.70 129.64 2ckj s GLU 961 Ca 0.65 -0.06 -0.08 0.00 0.02 0.00 0.00 54.97 55.50 2ckj s GLU 961 Cb -0.02 -2.66 0.01 0.00 0.10 0.00 0.00 34.13 31.56 2ckj s GLU 961 CO 0.05 0.21 0.13 0.41 0.02 0.00 0.00 175.26 176.08 2ckj n GLY 962 N -1.04 0.04 3.26 -1.39 0.00 -1.26 -4.89 105.19 99.91 2ckj n GLY 962 Ca -0.02 0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2ckj n GLY 962 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ckj s PHE 963 N -0.38 3.36 -0.39 1.61 5.36 -1.26 -4.95 117.98 121.34 2ckj s PHE 963 Ca 0.08 -1.61 0.23 0.00 -0.96 0.00 0.00 56.93 54.67 2ckj s PHE 963 Cb -0.01 -3.15 0.11 0.00 -0.34 0.00 0.00 43.02 39.63 2ckj s PHE 963 CO 0.18 -0.89 1.13 1.79 -1.46 0.00 0.00 175.22 175.96 2ckj h THR 964 N 6.08 0.00 -0.73 0.12 1.35 -1.98 -3.41 112.91 114.34 2ckj h THR 964 Ca -0.23 -0.80 0.13 0.00 -0.55 0.00 0.00 66.41 64.96 2ckj h THR 964 Cb 1.08 1.31 -0.13 0.00 -1.73 0.00 0.00 68.15 68.68 2ckj h THR 964 CO 0.80 0.00 -0.31 0.25 -0.25 0.00 0.00 175.52 176.01 2ckj h LEU 965 N 0.00 -1.09 -1.51 3.87 5.85 -1.95 0.24 115.31 120.72 2ckj h LEU 965 Ca 0.00 0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.98 2ckj h LEU 965 Cb 0.90 0.59 -0.03 0.00 0.37 0.00 0.00 40.66 42.49 2ckj h LEU 965 CO 0.00 -0.29 0.34 1.55 -0.34 0.00 0.00 178.44 179.70 2ckj h PRO 966 N -0.08 0.66 -0.16 5.25 0.13 -1.94 0.24 132.00 136.08 2ckj h PRO 966 Ca 0.30 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 65.29 2ckj h PRO 966 Cb 0.57 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 2ckj h PRO 966 CO -0.78 0.43 -0.33 -0.09 -0.23 0.00 0.00 178.00 177.01 2ckj h ARG 967 N 0.68 0.33 -0.51 0.86 2.43 -0.89 0.66 114.38 117.93 2ckj h ARG 967 Ca 0.19 -0.14 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 2ckj h ARG 967 Cb -0.04 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 2ckj h ARG 967 CO -0.04 0.63 0.12 0.00 -1.51 0.00 0.00 179.97 179.17 2ckj h TRP 969 N 0.71 -0.22 -0.74 0.00 2.91 0.06 -2.85 115.95 115.81 2ckj h TRP 969 Ca 0.16 -0.00 0.12 0.00 1.13 0.00 0.00 58.89 60.30 2ckj h TRP 969 Cb 0.33 0.08 -0.08 0.00 -0.51 0.00 0.00 29.16 28.98 2ckj h TRP 969 CO 0.02 -0.13 0.34 1.49 -1.03 0.00 0.00 178.44 179.13 2ckj h GLU 970 N -0.21 0.52 0.00 2.65 4.57 0.22 0.13 114.58 122.46 2ckj h GLU 970 Ca -0.02 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2ckj h GLU 970 Cb 0.17 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 2ckj h GLU 970 CO 0.02 0.34 0.00 -1.91 -1.18 0.00 0.00 179.01 176.29 2ckj n GLU 971 N -4.92 0.05 -0.11 1.92 2.13 -0.47 -3.36 120.64 115.88 2ckj n GLU 971 Ca 0.13 0.26 -0.22 0.00 0.66 0.00 0.00 57.16 57.99 2ckj n GLU 971 Cb 0.35 -1.50 -0.09 0.00 0.27 0.00 0.00 31.44 30.47 2ckj n GLU 971 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ckj n LEU 973 N -4.38 0.00 0.00 0.00 4.32 -1.16 -1.72 117.00 114.06 2ckj n LEU 973 Ca -0.37 0.41 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 2ckj n LEU 973 Cb 0.71 -0.41 0.00 0.00 -1.62 0.00 0.00 43.42 42.09 2ckj n LEU 973 CO 0.12 -0.41 0.19 0.00 -1.22 0.00 0.00 177.39 176.06 2ckj n ALA 974 N -1.41 -0.12 -0.00 -1.18 0.00 -1.21 -3.00 120.51 113.59 2ckj n ALA 974 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2ckj n ALA 974 Cb 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.39 2ckj n ALA 974 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2ckj h SER 975 N 0.00 0.02 -0.81 0.00 4.64 -1.59 -2.78 113.55 113.04 2ckj h SER 975 Ca 0.00 -0.34 0.21 0.00 -0.47 0.00 0.00 61.79 61.19 2ckj h SER 975 Cb 0.00 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.04 2ckj h SER 975 CO 0.00 0.35 0.56 0.77 -0.87 0.00 0.00 176.83 177.64 2ckj h SER 976 N -0.31 0.18 -5.91 4.97 4.64 -1.56 -3.46 113.55 112.10 2ckj h SER 976 Ca 0.00 0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 61.15 2ckj h SER 976 Cb 0.34 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.42 2ckj h SER 976 CO 0.00 0.07 -0.74 0.00 -0.87 0.00 0.00 176.83 175.30 2ckj n GLN 977 N -4.39 -1.97 0.00 4.77 10.64 -1.05 -4.95 117.38 120.43 2ckj n GLN 977 Ca 0.17 1.62 0.00 0.00 -1.83 0.00 0.00 57.00 56.96 2ckj n GLN 977 Cb 0.76 -4.05 0.00 0.00 -0.86 0.00 0.00 30.24 26.08 2ckj n GLN 977 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 2ckj n TYR 978 N -0.79 0.00 -2.07 2.61 9.36 -1.20 -3.04 117.16 122.02 2ckj n TYR 978 Ca -0.02 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 60.85 2ckj n TYR 978 Cb 0.57 -0.41 -0.04 0.00 -0.63 0.00 0.00 39.34 38.83 2ckj n TYR 978 CO 0.00 0.00 0.00 -3.38 0.22 0.00 0.00 176.86 173.70 2ckj s HIS 979 N -1.91 1.75 0.13 2.98 -3.43 -1.26 0.13 115.29 113.69 2ckj s HIS 979 Ca 0.00 0.66 0.00 0.00 -0.80 0.00 0.00 55.06 54.92 2ckj s HIS 979 Cb 0.00 -4.11 0.00 0.00 -1.43 0.00 0.00 32.58 27.04 2ckj s HIS 979 CO 0.00 -2.10 0.00 0.00 -2.00 0.00 0.00 174.74 170.64 2ckj n ALA 980 N 12.98 3.00 -0.05 -1.38 0.00 -1.17 -4.91 120.51 128.97 2ckj n ALA 980 Ca 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.71 2ckj n ALA 980 Cb 0.50 0.06 0.01 0.00 0.00 0.00 0.00 19.45 20.02 2ckj n ALA 980 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ckj n ARG 981 N -3.02 -0.03 -0.17 0.00 1.74 -0.84 0.13 116.66 114.47 2ckj n ARG 981 Ca 0.00 0.22 -0.10 0.00 -0.77 0.00 0.00 57.85 57.20 2ckj n ARG 981 Cb 0.04 -0.33 -0.08 0.00 -1.02 0.00 0.00 32.46 31.08 2ckj n ARG 981 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2ckj h LYS 982 N 0.00 -0.20 -0.07 5.56 1.63 0.85 -0.05 116.57 124.29 2ckj h LYS 982 Ca 0.05 0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.87 2ckj h LYS 982 Cb 0.09 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 2ckj h LYS 982 CO -0.14 -0.13 -0.09 1.03 -3.45 0.00 0.00 179.45 176.66 2ckj h SER 983 N -0.21 -0.31 -1.10 4.20 0.87 0.84 -1.02 113.55 116.82 2ckj h SER 983 Ca 0.08 0.04 0.32 0.00 -1.23 0.00 0.00 61.79 60.99 2ckj h SER 983 Cb 0.41 0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.45 2ckj h SER 983 CO -0.53 -0.07 1.19 -0.08 -0.53 0.00 0.00 176.83 176.81 2ckj h GLU 984 N -0.06 0.00 0.00 2.24 4.81 -1.31 -2.51 114.58 117.74 2ckj h GLU 984 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2ckj h GLU 984 Cb 0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2ckj h GLU 984 CO -0.10 0.00 0.00 0.28 -0.73 0.00 0.00 179.01 178.46 2ckj n VAL 985 N -3.36 0.00 -1.87 0.32 0.31 -0.07 -3.69 118.33 109.98 2ckj n VAL 985 Ca 0.24 0.89 -0.42 0.00 -0.01 0.00 0.00 64.34 65.04 2ckj n VAL 985 Cb 1.52 -1.71 -0.03 0.00 -0.91 0.00 0.00 33.84 32.72 2ckj n VAL 985 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 2ckj s ASP 986 N -1.91 6.57 0.00 4.52 -4.77 -0.95 -0.31 116.67 119.83 2ckj s ASP 986 Ca 0.00 2.43 0.00 0.00 -3.30 0.00 0.00 52.55 51.68 2ckj s ASP 986 Cb 0.00 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.30 2ckj s ASP 986 CO 0.00 -0.97 0.00 1.17 0.70 0.00 0.00 175.17 176.07 2ckj n LYS 987 N 7.17 0.00 0.46 2.11 3.00 -1.26 -4.77 118.16 124.86 2ckj n LYS 987 Ca 0.18 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.30 2ckj n LYS 987 Cb 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.35 2ckj n LYS 987 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 2ckj h PHE 988 N 0.00 -1.25 -0.81 5.64 3.57 -0.74 -2.09 116.94 121.26 2ckj h PHE 988 Ca 0.00 -0.02 0.21 0.00 3.53 0.00 0.00 57.97 61.69 2ckj h PHE 988 Cb 0.00 0.43 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 2ckj h PHE 988 CO 0.00 -0.73 0.56 -0.91 -2.23 0.00 0.00 178.31 175.00 2ckj h ASN 989 N -1.23 0.20 0.73 0.41 2.35 -1.73 -2.50 115.58 113.80 2ckj h ASN 989 Ca -0.12 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.62 2ckj h ASN 989 Cb 0.97 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 39.32 2ckj h ASN 989 CO 0.15 0.08 -0.35 0.50 -1.65 0.00 0.00 177.43 176.17 2ckj h LYS 990 N 0.20 -0.94 0.00 0.81 3.64 -1.82 -3.34 116.57 115.12 2ckj h LYS 990 Ca 0.40 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 2ckj h LYS 990 Cb 1.28 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 2ckj h LYS 990 CO -0.08 -0.60 0.00 0.39 -2.27 0.00 0.00 179.45 176.89 2ckj n GLU 991 N -5.46 0.62 -5.15 1.90 1.02 -0.79 -4.80 120.64 107.97 2ckj n GLU 991 Ca -0.13 0.02 -0.29 0.00 -0.02 0.00 0.00 57.16 56.74 2ckj n GLU 991 Cb 0.40 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 30.16 2ckj n GLU 991 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2ckj s ASN 992 N -2.18 2.75 -0.19 1.62 0.01 -0.99 -5.02 114.94 110.93 2ckj s ASN 992 Ca 0.32 -0.43 0.18 0.00 -0.71 0.00 0.00 52.86 52.22 2ckj s ASN 992 Cb 0.16 -0.43 -0.25 0.00 0.41 0.00 0.00 41.25 41.13 2ckj s ASN 992 CO 0.30 0.27 0.10 0.00 -1.51 0.00 0.00 177.10 176.26 2ckj n TRP 994 N -2.72 0.00 -4.58 0.00 7.02 -1.26 -4.98 117.44 110.91 2ckj n TRP 994 Ca -0.31 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 55.94 2ckj n TRP 994 Cb 1.12 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 29.87 2ckj n TRP 994 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 2ckj s LYS 995 N -0.80 1.16 0.04 -0.99 1.02 -1.26 -1.90 119.74 117.02 2ckj s LYS 995 Ca 0.00 -0.68 -0.00 0.00 0.02 0.00 0.00 55.97 55.31 2ckj s LYS 995 Cb 0.00 -1.17 -0.03 0.00 -0.52 0.00 0.00 37.83 36.11 2ckj s LYS 995 CO 0.00 0.31 -0.04 0.15 -0.92 0.00 0.00 175.35 174.85 2ckj s LYS 996 N -0.75 0.51 0.31 1.68 -0.14 -1.21 -4.73 119.74 115.41 2ckj s LYS 996 Ca 0.05 -0.97 0.10 0.00 -1.36 0.00 0.00 55.97 53.79 2ckj s LYS 996 Cb -0.07 0.10 -0.05 0.00 -1.68 0.00 0.00 37.83 36.13 2ckj s LYS 996 CO 0.00 -0.07 -0.02 1.03 -0.76 0.00 0.00 175.35 175.53 2ckj s ARG 997 N -2.82 2.09 -0.03 1.68 0.52 -1.26 -1.13 118.95 118.00 2ckj s ARG 997 Ca -0.02 -1.64 -0.06 0.00 -0.52 0.00 0.00 55.73 53.49 2ckj s ARG 997 Cb -0.00 -1.99 0.01 0.00 0.52 0.00 0.00 34.95 33.49 2ckj s ARG 997 CO -0.05 0.24 0.13 0.20 0.02 0.00 0.00 175.30 175.84 2ckj s GLY 998 N -3.67 -0.04 -0.00 -3.53 0.00 -0.53 -4.05 107.32 95.49 2ckj s GLY 998 Ca 0.33 0.18 0.02 0.00 0.00 0.00 0.00 44.72 45.25 2ckj s GLY 998 CO 0.19 0.10 -0.07 -2.27 0.00 0.00 0.00 173.10 171.05 2ckj s LEU 999 N -0.48 2.04 0.04 0.66 2.96 -1.26 -0.91 118.68 121.73 2ckj s LEU 999 Ca -0.06 -0.16 -0.22 0.00 -0.22 0.00 0.00 54.13 53.47 2ckj s LEU 999 Cb -0.04 -0.35 0.05 0.00 0.50 0.00 0.00 46.19 46.36 2ckj s LEU 999 CO 0.01 0.06 0.51 0.00 -1.32 0.00 0.00 176.35 175.60 2ckj s ILE 1001N -2.41 0.35 0.07 0.00 1.10 -1.26 -1.64 121.20 117.42 2ckj s ILE 1001Ca -0.05 -0.36 0.08 0.00 -0.51 0.00 0.00 60.65 59.80 2ckj s ILE 1001Cb -0.01 -0.85 -0.03 0.00 0.15 0.00 0.00 42.46 41.72 2ckj s ILE 1001CO -0.01 -0.16 -0.22 -0.63 -2.11 0.00 0.00 174.94 171.80 2ckj s ILE 1002N 1.94 1.83 0.55 2.00 1.09 -0.89 -4.96 121.20 122.77 2ckj s ILE 1002Ca 0.01 -1.41 0.06 0.00 -1.10 0.00 0.00 60.65 58.21 2ckj s ILE 1002Cb -0.16 -1.62 0.06 0.00 -1.06 0.00 0.00 42.46 39.69 2ckj s ILE 1002CO -0.08 0.13 0.76 -2.16 -0.10 0.00 0.00 174.94 173.49 2ckj s PRO 1003N -1.54 2.39 -0.29 2.79 0.04 -1.26 -1.93 135.00 135.20 2ckj s PRO 1003Ca 0.09 -1.32 -0.23 0.00 0.04 0.00 0.00 61.00 59.57 2ckj s PRO 1003Cb -0.10 -2.61 0.14 0.00 0.04 0.00 0.00 34.50 31.98 2ckj s PRO 1003CO 0.03 -0.76 1.10 -0.08 0.04 0.00 0.00 177.00 177.33 2ckj s THR 1004N -2.66 0.00 -0.03 1.26 -1.32 -0.97 -4.91 115.64 107.02 2ckj s THR 1004Ca 0.60 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 61.13 2ckj s THR 1004Cb -0.08 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.91 2ckj s THR 1004CO 0.38 0.00 -0.18 -1.59 -2.21 0.00 0.00 174.62 171.02 2ckj s LYS 1005N 0.38 1.62 -0.07 7.08 -2.85 -1.26 -2.10 119.74 122.53 2ckj s LYS 1005Ca 0.02 -0.63 -0.01 0.00 -1.00 0.00 0.00 55.97 54.35 2ckj s LYS 1005Cb -0.05 -1.48 0.03 0.00 -2.06 0.00 0.00 37.83 34.27 2ckj s LYS 1005CO -0.09 0.32 -0.01 0.12 0.10 0.00 0.00 175.35 175.79 2ckj s PHE 1006N -0.21 0.75 0.18 1.78 5.36 -0.58 -4.96 117.98 120.30 2ckj s PHE 1006Ca 0.02 -0.23 -0.30 0.00 -0.96 0.00 0.00 56.93 55.46 2ckj s PHE 1006Cb -0.09 -0.82 -0.08 0.00 -0.34 0.00 0.00 43.02 41.69 2ckj s PHE 1006CO 0.01 -0.32 1.22 0.20 -1.46 0.00 0.00 175.22 174.86 2ckj s GLY 1007N 1.76 2.61 -0.26 13.12 0.00 -1.26 -0.37 107.32 122.92 2ckj s GLY 1007Ca 0.02 0.97 -0.07 0.00 0.00 0.00 0.00 44.72 45.65 2ckj s GLY 1007CO -0.05 1.91 0.06 -0.42 0.00 0.00 0.00 173.10 174.60 2ckj s ILE 1008N 0.07 4.08 0.00 0.90 1.01 -0.58 -4.90 121.20 121.78 2ckj s ILE 1008Ca 0.54 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.80 2ckj s ILE 1008Cb -0.33 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.17 2ckj s ILE 1008CO 0.36 0.26 0.00 -1.20 0.00 0.00 0.00 174.94 174.36 2ckj n SER 1009N 4.89 0.00 -4.77 3.58 7.64 -1.26 -2.29 113.62 121.41 2ckj n SER 1009Ca -0.16 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.34 2ckj n SER 1009Cb 0.50 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2ckj n SER 1009CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2ckj s PHE 1010N -2.00 2.82 0.07 1.43 0.40 -1.26 -4.93 117.98 114.51 2ckj s PHE 1010Ca 0.00 1.49 -0.17 0.00 -0.60 0.00 0.00 56.93 57.65 2ckj s PHE 1010Cb 0.00 -3.49 -0.12 0.00 0.51 0.00 0.00 43.02 39.92 2ckj s PHE 1010CO 0.00 -1.77 1.36 1.79 0.70 0.00 0.00 175.22 177.31 2ckj h THR 1011N 2.00 1.33 -2.31 0.64 1.35 -1.98 -3.41 112.91 110.52 2ckj h THR 1011Ca -0.49 -1.47 -0.56 0.00 -0.55 0.00 0.00 66.41 63.33 2ckj h THR 1011Cb 1.25 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 2ckj h THR 1011CO 0.61 0.45 1.31 -0.69 -0.25 0.00 0.00 175.52 176.95 2ckj s VAL 1012N -4.23 3.17 0.21 6.82 1.01 -1.26 -4.85 120.40 121.27 2ckj s VAL 1012Ca -0.13 0.19 -0.08 0.00 0.00 0.00 0.00 61.98 61.96 2ckj s VAL 1012Cb 0.07 -3.17 0.14 0.00 0.00 0.00 0.00 36.38 33.42 2ckj s VAL 1012CO 0.80 -0.07 1.76 1.55 0.00 0.00 0.00 175.10 179.15 2ckj h PRO 1013N 12.38 1.16 0.00 2.72 0.13 -1.95 -2.29 132.00 144.14 2ckj h PRO 1013Ca -0.43 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 2ckj h PRO 1013Cb 1.22 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2ckj h PRO 1013CO 0.96 0.96 0.00 1.97 -0.23 0.00 0.00 178.00 181.66 2ckj n PHE 1014N -4.29 0.00 1.15 1.56 1.16 -1.26 -1.29 117.46 114.50 2ckj n PHE 1014Ca 0.07 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.77 2ckj n PHE 1014Cb 0.20 0.00 0.30 0.00 -1.61 0.00 0.00 39.48 38.37 2ckj n PHE 1014CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 2ckj n LEU 1015N -0.96 0.96 -3.48 5.98 4.77 -0.86 -4.41 117.00 118.99 2ckj n LEU 1015Ca 0.01 -0.24 -0.39 0.00 -0.03 0.00 0.00 56.01 55.37 2ckj n LEU 1015Cb 0.01 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 40.94 2ckj n LEU 1015CO 0.01 0.19 2.95 0.59 -1.33 0.00 0.00 177.39 179.80 2ckj n ASN 1016N -0.86 6.11 -3.83 -1.43 3.02 -0.41 -4.81 115.26 113.05 2ckj n ASN 1016Ca 0.10 -2.66 -0.12 0.00 -0.03 0.00 0.00 54.58 51.87 2ckj n ASN 1016Cb 0.35 -1.52 -0.12 0.00 -0.61 0.00 0.00 39.78 37.88 2ckj n ASN 1016CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ckj s GLN 1017N 2.88 0.25 0.00 3.52 -2.07 -1.26 -1.24 119.66 121.74 2ckj s GLN 1017Ca 0.57 0.11 0.00 0.00 -1.82 0.00 0.00 55.36 54.23 2ckj s GLN 1017Cb 0.15 0.11 0.00 0.00 -1.09 0.00 0.00 33.01 32.19 2ckj s GLN 1017CO -0.06 -0.04 0.00 0.00 -1.32 0.00 0.00 175.29 173.87 2ckj n ALA 1018N 2.70 0.00 -3.65 2.60 0.00 -0.95 -4.50 120.51 116.72 2ckj n ALA 1018Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.28 2ckj n ALA 1018Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.97 2ckj n ALA 1018CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ckj s GLY 1019N 0.00 0.42 0.27 0.00 0.00 -1.26 -1.91 107.32 104.85 2ckj s GLY 1019Ca 0.00 3.59 0.04 0.00 0.00 0.00 0.00 44.72 48.35 2ckj s GLY 1019CO 0.00 2.26 0.01 0.00 0.00 0.00 0.00 173.10 175.38 2ckj s ALA 1020N 0.45 2.09 -0.01 3.20 0.00 0.54 -2.18 121.76 125.85 2ckj s ALA 1020Ca 0.01 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.08 2ckj s ALA 1020Cb -0.04 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.61 2ckj s ALA 1020CO -0.13 -0.25 -0.01 -1.17 0.00 0.00 0.00 175.76 174.20 2ckj s LEU 1021N -3.39 1.79 -0.03 0.00 2.96 -0.17 -1.83 118.68 118.00 2ckj s LEU 1021Ca 0.32 -0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 54.20 2ckj s LEU 1021Cb 0.06 -0.09 0.03 0.00 0.50 0.00 0.00 46.19 46.70 2ckj s LEU 1021CO 0.12 -0.02 0.03 -0.22 -1.32 0.00 0.00 176.35 174.95 2ckj s LEU 1022N 0.23 0.70 -0.02 -0.68 2.96 -0.83 -1.04 118.68 120.00 2ckj s LEU 1022Ca -0.02 0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 2ckj s LEU 1022Cb -0.04 -0.16 -0.03 0.00 0.50 0.00 0.00 46.19 46.46 2ckj s LEU 1022CO -0.01 -0.17 0.00 -1.00 -1.32 0.00 0.00 176.35 173.85 2ckj s HIS 1023N 1.55 3.09 -0.27 5.38 3.76 -1.11 -1.37 115.29 126.32 2ckj s HIS 1023Ca -0.03 0.11 -0.02 0.00 -0.15 0.00 0.00 55.06 54.97 2ckj s HIS 1023Cb -0.13 -1.70 0.04 0.00 1.11 0.00 0.00 32.58 31.90 2ckj s HIS 1023CO -0.03 0.46 -0.03 0.08 -0.85 0.00 0.00 174.74 174.37 2ckj s VAL 1024N -1.03 2.96 0.92 -0.90 1.01 0.59 -0.72 120.40 123.23 2ckj s VAL 1024Ca 0.18 -1.19 -0.12 0.00 0.00 0.00 0.00 61.98 60.86 2ckj s VAL 1024Cb -0.11 -2.60 0.14 0.00 0.00 0.00 0.00 36.38 33.80 2ckj s VAL 1024CO 0.08 0.05 1.09 -0.31 0.00 0.00 0.00 175.10 176.01 2ckj s TYR 1025N 1.30 2.21 -2.00 5.22 1.51 -0.04 -4.85 117.35 120.71 2ckj s TYR 1025Ca -0.02 1.25 0.16 0.00 -1.01 0.00 0.00 57.07 57.45 2ckj s TYR 1025Cb -0.18 -3.17 0.96 0.00 -0.11 0.00 0.00 41.96 39.46 2ckj s TYR 1025CO -0.03 -2.54 1.41 0.25 -1.11 0.00 0.00 175.55 173.53 2ckj n THR 1026N -3.98 0.00 0.17 -0.71 -2.24 -1.26 -2.36 114.28 103.89 2ckj n THR 1026Ca 0.07 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.87 2ckj n THR 1026Cb 0.55 -0.56 0.01 0.00 -2.10 0.00 0.00 70.33 68.23 2ckj n THR 1026CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2ckj n ASP 1027N -0.89 1.15 0.00 3.42 3.85 -1.26 -4.74 116.55 118.08 2ckj n ASP 1027Ca 0.12 -1.07 0.00 0.00 -0.71 0.00 0.00 54.79 53.13 2ckj n ASP 1027Cb 0.06 0.16 0.00 0.00 -1.35 0.00 0.00 41.12 39.99 2ckj n ASP 1027CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2ckj n GLY 1028N 0.37 1.94 3.80 6.12 0.00 -1.00 -4.99 105.19 111.43 2ckj n GLY 1028Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 2ckj n GLY 1028CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ckj s SER 1029N -1.87 7.17 -0.03 1.61 1.04 -1.26 -4.83 113.70 115.54 2ckj s SER 1029Ca 0.00 1.75 0.03 0.00 0.48 0.00 0.00 55.95 58.21 2ckj s SER 1029Cb 0.00 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 2ckj s SER 1029CO 0.00 -0.17 -0.09 -0.69 0.98 0.00 0.00 173.24 173.27 2ckj s VAL 1030N -1.81 3.48 -0.37 5.02 1.01 -1.21 -0.86 120.40 125.65 2ckj s VAL 1030Ca 0.54 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.87 2ckj s VAL 1030Cb -0.15 -2.44 0.11 0.00 0.00 0.00 0.00 36.38 33.90 2ckj s VAL 1030CO 0.20 0.51 0.11 -0.22 0.00 0.00 0.00 175.10 175.70 2ckj s LEU 1031N -1.04 4.14 0.03 3.92 2.96 0.10 -1.78 118.68 127.02 2ckj s LEU 1031Ca 0.14 -2.26 -0.18 0.00 -0.22 0.00 0.00 54.13 51.61 2ckj s LEU 1031Cb -0.11 -1.47 -0.06 0.00 0.50 0.00 0.00 46.19 45.05 2ckj s LEU 1031CO 0.03 -0.35 0.53 -0.76 -1.32 0.00 0.00 176.35 174.49 2ckj s LEU 1032N 0.77 4.48 -0.02 -0.68 1.43 -1.03 -2.75 118.68 120.87 2ckj s LEU 1032Ca 0.12 1.15 -0.05 0.00 -1.03 0.00 0.00 54.13 54.32 2ckj s LEU 1032Cb -0.20 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.20 2ckj s LEU 1032CO -0.09 0.24 0.11 0.28 0.23 0.00 0.00 176.35 177.12 2ckj s THR 1033N -0.82 0.04 0.27 5.49 -1.32 -0.21 -4.24 115.64 114.86 2ckj s THR 1033Ca 0.28 -0.36 -0.04 0.00 -1.21 0.00 0.00 61.69 60.37 2ckj s THR 1033Cb -0.18 -0.28 -0.02 0.00 -1.51 0.00 0.00 72.50 70.50 2ckj s THR 1033CO 0.17 -0.20 0.34 -1.38 -2.21 0.00 0.00 174.62 171.34 2ckj s HIS 1034N -0.64 1.00 0.19 9.09 -3.43 -1.26 -1.00 115.29 119.23 2ckj s HIS 1034Ca -0.07 -1.22 0.26 0.00 -0.80 0.00 0.00 55.06 53.23 2ckj s HIS 1034Cb -0.04 -0.25 1.10 0.00 -1.43 0.00 0.00 32.58 31.96 2ckj s HIS 1034CO 0.01 -0.90 1.90 0.78 -2.00 0.00 0.00 174.74 174.53 2ckj h GLY 1035N 2.32 0.00 -3.09 -1.38 0.00 -1.79 -3.46 103.07 95.68 2ckj h GLY 1035Ca -0.30 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.56 2ckj h GLY 1035CO 0.42 0.00 -0.34 -0.32 0.00 0.00 0.00 176.54 176.30 2ckj s GLY 1036N -4.25 1.32 0.03 4.60 0.00 -1.26 -4.94 107.32 102.82 2ckj s GLY 1036Ca -0.00 -1.08 0.06 0.00 0.00 0.00 0.00 44.72 43.70 2ckj s GLY 1036CO 0.61 -1.06 -0.15 -0.51 0.00 0.00 0.00 173.10 171.99 2ckj s THR 1037N -2.08 3.02 -0.42 0.90 -4.23 -1.26 -4.92 115.64 106.65 2ckj s THR 1037Ca 0.36 -1.08 -0.26 0.00 -1.18 0.00 0.00 61.69 59.54 2ckj s THR 1037Cb -0.09 -2.29 0.02 0.00 1.34 0.00 0.00 72.50 71.48 2ckj s THR 1037CO 0.31 0.35 0.95 -0.70 -0.54 0.00 0.00 174.62 174.99 2ckj s GLU 1038N -1.44 3.68 -0.14 3.99 2.56 -1.26 -4.89 118.70 121.19 2ckj s GLU 1038Ca 0.15 0.37 0.15 0.00 0.00 0.00 0.00 54.97 55.65 2ckj s GLU 1038Cb -0.11 -3.87 0.57 0.00 2.00 0.00 0.00 34.13 32.72 2ckj s GLU 1038CO 0.06 -1.12 1.48 -1.33 -0.56 0.00 0.00 175.26 173.79 2ckj n MET 1039N 7.07 3.37 -1.13 4.30 2.81 -1.26 -2.28 117.12 130.00 2ckj n MET 1039Ca 0.07 -2.75 0.00 0.00 -1.81 0.00 0.00 57.70 53.21 2ckj n MET 1039Cb 0.48 -1.81 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 2ckj n MET 1039CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ckj n GLY 1040N 0.17 0.64 0.46 3.03 0.00 -1.26 -4.16 105.19 104.06 2ckj n GLY 1040Ca 0.21 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2ckj n GLY 1040CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ckj n GLN 1041N -0.75 0.00 -1.16 1.61 0.00 -1.26 -2.60 117.38 113.21 2ckj n GLN 1041Ca 0.00 -0.56 -0.06 0.00 0.00 0.00 0.00 57.00 56.38 2ckj n GLN 1041Cb 0.31 -0.30 -0.02 0.00 0.00 0.00 0.00 30.24 30.23 2ckj n GLN 1041CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ckj n GLY 1042N 0.00 0.81 0.10 2.61 0.00 -1.26 -4.88 105.19 102.57 2ckj n GLY 1042Ca 0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 2ckj n GLY 1042CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ckj h LEU 1043N 0.00 0.22 -1.08 0.99 5.85 -1.96 -1.22 115.31 118.11 2ckj h LEU 1043Ca -0.11 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.46 2ckj h LEU 1043Cb 0.41 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2ckj h LEU 1043CO 0.17 0.24 -0.34 0.45 -0.34 0.00 0.00 178.44 178.61 2ckj h HIS 1044N 0.19 0.00 0.00 1.25 3.86 -1.95 0.01 115.15 118.51 2ckj h HIS 1044Ca 0.06 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.13 2ckj h HIS 1044Cb 0.06 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 2ckj h HIS 1044CO -0.04 0.34 -0.71 1.15 0.86 0.00 0.00 177.93 179.53 2ckj h THR 1045N 0.00 1.19 0.12 2.45 2.02 -1.85 0.27 112.91 117.10 2ckj h THR 1045Ca -0.00 -2.68 -0.23 0.00 0.77 0.00 0.00 66.41 64.27 2ckj h THR 1045Cb 0.81 2.59 0.02 0.00 -1.74 0.00 0.00 68.15 69.83 2ckj h THR 1045CO 0.04 0.68 -0.95 0.11 0.37 0.00 0.00 175.52 175.77 2ckj h LYS 1046N 0.00 0.44 -0.12 6.66 1.57 -0.89 -1.84 116.57 122.39 2ckj h LYS 1046Ca -0.01 -0.63 -0.05 0.00 -1.87 0.00 0.00 60.65 58.09 2ckj h LYS 1046Cb 1.54 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 34.05 2ckj h LYS 1046CO 0.09 1.27 -0.14 0.52 -0.57 0.00 0.00 179.45 180.62 2ckj h MET 1047N -0.09 0.19 0.40 3.15 2.86 -0.60 -2.29 114.93 118.56 2ckj h MET 1047Ca -0.15 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 2ckj h MET 1047Cb 1.70 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.34 2ckj h MET 1047CO 0.18 0.34 -0.19 0.28 1.06 0.00 0.00 176.91 178.58 2ckj h VAL 1048N 0.18 0.38 -0.16 -2.22 2.07 -0.51 -2.68 116.25 113.32 2ckj h VAL 1048Ca 0.04 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 66.95 2ckj h VAL 1048Cb 0.37 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2ckj h VAL 1048CO 0.02 0.08 -0.09 0.00 0.02 0.00 0.00 177.57 177.60 2ckj n GLN 1049N -5.16 -0.07 0.00 1.57 6.02 -0.69 -0.83 117.38 118.22 2ckj n GLN 1049Ca -0.09 0.43 -0.03 0.00 -0.01 0.00 0.00 57.00 57.30 2ckj n GLN 1049Cb 0.28 -0.64 -0.02 0.00 1.02 0.00 0.00 30.24 30.88 2ckj n GLN 1049CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2ckj h VAL 1050N 0.00 0.00 -1.05 5.09 2.07 -1.48 -1.45 116.25 119.42 2ckj h VAL 1050Ca 0.03 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.83 2ckj h VAL 1050Cb 0.06 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.76 2ckj h VAL 1050CO -0.15 0.00 0.70 0.00 0.02 0.00 0.00 177.57 178.15 2ckj h ALA 1051N -1.26 2.50 -0.34 1.67 0.00 -0.93 0.12 119.26 121.01 2ckj h ALA 1051Ca 0.00 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2ckj h ALA 1051Cb 0.13 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2ckj h ALA 1051CO -0.07 -0.87 -0.08 1.03 0.00 0.00 0.00 179.25 179.26 2ckj h SER 1052N 0.26 0.66 -0.35 0.00 0.87 -0.31 -2.20 113.55 112.49 2ckj h SER 1052Ca 0.56 -0.36 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 2ckj h SER 1052Cb 1.68 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 63.45 2ckj h SER 1052CO -0.20 0.87 0.14 -0.09 -0.53 0.00 0.00 176.83 177.03 2ckj h ARG 1053N 0.45 0.52 0.00 2.24 2.43 0.21 -0.86 114.38 119.36 2ckj h ARG 1053Ca 0.09 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2ckj h ARG 1053Cb 0.58 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2ckj h ARG 1053CO 0.03 0.51 -0.10 0.00 -1.51 0.00 0.00 179.97 178.90 2ckj h ALA 1054N 0.98 1.17 0.00 2.80 0.00 -1.07 -3.15 119.26 120.00 2ckj h ALA 1054Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ckj h ALA 1054Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2ckj h ALA 1054CO -0.01 0.13 -1.66 1.28 0.00 0.00 0.00 179.25 178.99 2ckj n LEU 1055N -3.46 0.15 0.00 0.00 4.32 -0.84 -4.89 117.00 112.28 2ckj n LEU 1055Ca -0.01 -0.09 0.00 0.00 -0.02 0.00 0.00 56.01 55.89 2ckj n LEU 1055Cb 0.26 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.06 2ckj n LEU 1055CO 0.29 0.04 0.00 0.29 -1.22 0.00 0.00 177.39 176.79 2ckj n LYS 1056N -2.01 0.00 -4.55 3.23 5.02 -0.34 -5.05 118.16 114.48 2ckj n LYS 1056Ca -0.02 0.33 -0.26 0.00 -2.02 0.00 0.00 58.31 56.34 2ckj n LYS 1056Cb 0.44 -3.36 -0.11 0.00 -0.02 0.00 0.00 35.03 31.98 2ckj n LYS 1056CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2ckj s ILE 1057N -2.00 2.01 0.51 -0.18 -4.36 -1.19 -5.06 121.20 110.93 2ckj s ILE 1057Ca 0.00 -2.12 -0.21 0.00 -0.26 0.00 0.00 60.65 58.06 2ckj s ILE 1057Cb 0.00 -2.74 -0.06 0.00 1.25 0.00 0.00 42.46 40.91 2ckj s ILE 1057CO 0.00 -0.14 1.17 -2.84 0.24 0.00 0.00 174.94 173.37 2ckj s PRO 1058N -3.68 3.49 0.29 0.37 0.02 -1.26 -4.61 135.00 129.61 2ckj s PRO 1058Ca 0.33 1.75 0.00 0.00 0.02 0.00 0.00 61.00 63.10 2ckj s PRO 1058Cb 0.05 -2.20 0.67 0.00 0.02 0.00 0.00 34.50 33.05 2ckj s PRO 1058CO 0.16 -0.77 1.61 0.00 -0.33 0.00 0.00 177.00 177.67 2ckj h THR 1059N 1.49 0.20 -1.00 0.99 1.03 -1.91 -2.03 112.91 111.68 2ckj h THR 1059Ca -0.50 -0.03 0.29 0.00 -0.01 0.00 0.00 66.41 66.16 2ckj h THR 1059Cb 1.26 0.09 -0.04 0.00 -1.07 0.00 0.00 68.15 68.39 2ckj h THR 1059CO 0.58 0.02 1.07 -1.28 -0.01 0.00 0.00 175.52 175.90 2ckj h SER 1060N 0.10 0.00 0.26 0.00 0.87 -1.96 -1.73 113.55 111.09 2ckj h SER 1060Ca 0.54 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.10 2ckj h SER 1060Cb 1.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2ckj h SER 1060CO -0.77 0.00 -1.03 0.29 -0.53 0.00 0.00 176.83 174.79 2ckj n LYS 1061N -3.42 0.19 -4.46 2.24 5.02 -0.76 -4.91 118.16 112.05 2ckj n LYS 1061Ca 0.22 -0.02 -0.34 0.00 -2.02 0.00 0.00 58.31 56.15 2ckj n LYS 1061Cb 1.39 -1.54 -0.10 0.00 -0.02 0.00 0.00 35.03 34.75 2ckj n LYS 1061CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2ckj s ILE 1062N -3.14 4.08 0.02 -0.18 1.01 -0.65 -3.32 121.20 119.02 2ckj s ILE 1062Ca 0.05 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.38 2ckj s ILE 1062Cb 0.15 -2.70 -0.01 0.00 0.01 0.00 0.00 42.46 39.91 2ckj s ILE 1062CO 0.82 0.60 -0.05 -0.47 0.00 0.00 0.00 174.94 175.83 2ckj s TYR 1063N -0.81 0.47 -0.03 3.97 5.04 -0.73 -5.00 117.35 120.26 2ckj s TYR 1063Ca 0.12 -0.27 0.06 0.00 -2.44 0.00 0.00 57.07 54.54 2ckj s TYR 1063Cb -0.11 -0.30 -0.01 0.00 0.35 0.00 0.00 41.96 41.89 2ckj s TYR 1063CO 0.02 -0.05 -0.23 0.42 -1.34 0.00 0.00 175.55 174.37 2ckj s ILE 1064N -0.70 1.81 -0.10 3.14 1.01 -1.26 -2.48 121.20 122.61 2ckj s ILE 1064Ca -0.04 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.65 2ckj s ILE 1064Cb -0.06 -1.51 -0.06 0.00 0.01 0.00 0.00 42.46 40.84 2ckj s ILE 1064CO -0.00 0.51 -0.10 -0.24 0.00 0.00 0.00 174.94 175.11 2ckj n SER 1065N 2.72 2.90 -3.61 3.58 2.88 -1.26 -5.05 113.62 115.77 2ckj n SER 1065Ca -0.16 -0.03 -0.04 0.00 -1.33 0.00 0.00 58.87 57.31 2ckj n SER 1065Cb 0.52 -0.18 -0.00 0.00 -0.75 0.00 0.00 64.21 63.80 2ckj n SER 1065CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2ckj s GLU 1066N -2.20 1.34 -0.13 -1.46 -1.05 -1.26 -4.97 118.70 108.97 2ckj s GLU 1066Ca -0.14 -0.79 -0.03 0.00 -0.15 0.00 0.00 54.97 53.86 2ckj s GLU 1066Cb 0.04 0.43 -0.03 0.00 -0.44 0.00 0.00 34.13 34.13 2ckj s GLU 1066CO 0.23 -0.62 -0.01 0.99 0.95 0.00 0.00 175.26 176.80 2ckj s THR 1067N -3.00 4.15 0.23 1.83 2.01 -0.85 -4.88 115.64 115.13 2ckj s THR 1067Ca 0.15 -0.28 -0.15 0.00 0.31 0.00 0.00 61.69 61.71 2ckj s THR 1067Cb -0.02 -2.79 0.01 0.00 0.01 0.00 0.00 72.50 69.71 2ckj s THR 1067CO 0.04 0.54 0.51 -0.55 -0.69 0.00 0.00 174.62 174.47 2ckj s SER 1068N -0.21 -0.15 -0.62 3.53 0.15 -1.26 -3.17 113.70 111.97 2ckj s SER 1068Ca 0.05 -0.77 -0.01 0.00 0.70 0.00 0.00 55.95 55.92 2ckj s SER 1068Cb -0.13 0.60 0.45 0.00 -1.71 0.00 0.00 66.02 65.23 2ckj s SER 1068CO 0.02 -1.14 1.90 0.35 1.20 0.00 0.00 173.24 175.57 2ckj n THR 1069N -0.37 3.45 -1.85 6.45 -2.24 -1.17 -2.76 114.28 115.78 2ckj n THR 1069Ca -0.04 -3.24 0.00 0.00 -2.27 0.00 0.00 64.05 58.50 2ckj n THR 1069Cb 0.62 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 2ckj n THR 1069CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2ckj n ASN 1070N -0.86 0.00 -0.03 3.42 2.04 -1.26 -4.76 115.26 113.81 2ckj n ASN 1070Ca 0.59 -0.93 -0.13 0.00 -0.44 0.00 0.00 54.58 53.67 2ckj n ASN 1070Cb 0.68 0.00 -0.14 0.00 -2.53 0.00 0.00 39.78 37.79 2ckj n ASN 1070CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 2ckj n THR 1071N 0.00 1.62 -3.15 5.53 -2.24 -1.11 -5.00 114.28 109.93 2ckj n THR 1071Ca 0.00 -0.75 0.04 0.00 -2.27 0.00 0.00 64.05 61.07 2ckj n THR 1071Cb 0.42 -1.18 -0.00 0.00 -2.10 0.00 0.00 70.33 67.47 2ckj n THR 1071CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2ckj s VAL 1072N -2.57 -0.82 0.46 2.28 0.11 -1.12 -4.80 120.40 113.95 2ckj s VAL 1072Ca -0.13 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 58.80 2ckj s VAL 1072Cb 0.07 -0.77 -0.07 0.00 -1.53 0.00 0.00 36.38 34.08 2ckj s VAL 1072CO 0.79 0.00 0.87 -2.16 -3.33 0.00 0.00 175.10 171.27 2ckj s PRO 1073N 2.81 3.83 0.00 1.54 0.04 -1.26 -4.60 135.00 137.36 2ckj s PRO 1073Ca 0.14 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.86 2ckj s PRO 1073Cb -0.08 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.19 2ckj s PRO 1073CO -0.24 -0.16 0.00 0.09 0.04 0.00 0.00 177.00 176.73 2ckj n ASN 1074N -1.50 -1.76 -4.80 6.66 3.02 -1.26 -5.01 115.26 110.61 2ckj n ASN 1074Ca 0.04 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.25 2ckj n ASN 1074Cb 0.54 -0.44 -0.07 0.00 -0.61 0.00 0.00 39.78 39.20 2ckj n ASN 1074CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2ckj s THR 1075N -2.78 4.89 0.57 3.41 -4.23 -1.26 -5.02 115.64 111.22 2ckj s THR 1075Ca 0.00 -0.27 -0.12 0.00 -1.18 0.00 0.00 61.69 60.12 2ckj s THR 1075Cb 0.00 -3.21 -0.05 0.00 1.34 0.00 0.00 72.50 70.58 2ckj s THR 1075CO 0.00 0.41 0.98 -0.44 -0.54 0.00 0.00 174.62 175.04 2ckj s SER 1076N -1.57 6.36 0.38 3.99 0.01 -1.26 -4.36 113.70 117.24 2ckj s SER 1076Ca 0.21 1.40 -0.22 0.00 1.31 0.00 0.00 55.95 58.65 2ckj s SER 1076Cb -0.12 -2.45 -0.15 0.00 0.21 0.00 0.00 66.02 63.50 2ckj s SER 1076CO 0.12 -0.74 0.23 -2.65 0.41 0.00 0.00 173.24 170.61 2ckj n PRO 1077N -2.29 0.10 -2.72 12.44 -0.02 -1.26 -4.80 135.00 136.45 2ckj n PRO 1077Ca 0.05 0.04 -0.43 0.00 -2.02 0.00 0.00 63.50 61.15 2ckj n PRO 1077Cb 0.54 -1.09 -0.02 0.00 -0.02 0.00 0.00 33.50 32.91 2ckj n PRO 1077CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2ckj s THR 1078N -1.54 4.35 0.00 3.45 2.01 -0.71 -4.70 115.64 118.49 2ckj s THR 1078Ca 0.61 -1.53 0.00 0.00 0.31 0.00 0.00 61.69 61.08 2ckj s THR 1078Cb -0.68 -5.00 0.00 0.00 0.01 0.00 0.00 72.50 66.84 2ckj s THR 1078CO 0.61 -1.80 0.00 0.00 -0.69 0.00 0.00 174.62 172.74 2ckj n ALA 1079N 7.67 0.00 -1.65 7.40 0.00 -1.26 -4.90 120.51 127.77 2ckj n ALA 1079Ca 0.35 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.40 2ckj n ALA 1079Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.91 2ckj n ALA 1079CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckj n ALA 1080N -3.00 7.17 0.00 0.00 0.00 -1.26 -4.45 120.51 118.96 2ckj n ALA 1080Ca 0.00 -3.78 0.00 0.00 0.00 0.00 0.00 53.44 49.66 2ckj n ALA 1080Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 19.45 16.41 2ckj n ALA 1080CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ckj n SER 1081N 2.59 0.00 0.10 0.00 7.64 -1.26 -4.61 113.62 118.08 2ckj n SER 1081Ca 0.70 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.70 2ckj n SER 1081Cb 0.25 0.00 0.45 0.00 -1.01 0.00 0.00 64.21 63.90 2ckj n SER 1081CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2ckj n VAL 1082N 0.00 0.66 -0.03 0.44 0.24 -1.26 -2.84 118.33 115.54 2ckj n VAL 1082Ca 0.00 -0.06 0.02 0.00 -2.04 0.00 0.00 64.34 62.26 2ckj n VAL 1082Cb 0.00 -0.81 0.04 0.00 -1.47 0.00 0.00 33.84 31.60 2ckj n VAL 1082CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2ckj n SER 1083N -2.18 0.02 0.18 -1.34 3.41 -1.26 -0.12 113.62 112.32 2ckj n SER 1083Ca 0.04 0.13 -0.08 0.00 -0.26 0.00 0.00 58.87 58.70 2ckj n SER 1083Cb 0.34 -0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 64.19 2ckj n SER 1083CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ckj h ALA 1084N 0.16 -0.54 -0.68 7.33 0.00 -1.92 -3.03 119.26 120.58 2ckj h ALA 1084Ca 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2ckj h ALA 1084Cb 0.15 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2ckj h ALA 1084CO -0.06 -0.50 0.32 -0.44 0.00 0.00 0.00 179.25 178.56 2ckj h ASP 1085N -1.12 0.90 0.47 0.00 3.32 -1.47 0.10 116.42 118.62 2ckj h ASP 1085Ca -0.05 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 2ckj h ASP 1085Cb 0.41 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2ckj h ASP 1085CO 0.09 0.79 -0.23 -0.07 -1.72 0.00 0.00 179.24 178.10 2ckj h LEU 1086N 0.95 -0.54 -0.43 1.55 3.38 -0.68 -2.34 115.31 117.20 2ckj h LEU 1086Ca 0.23 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 58.05 2ckj h LEU 1086Cb 0.13 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2ckj h LEU 1086CO -0.03 -0.38 -0.49 0.78 0.09 0.00 0.00 178.44 178.41 2ckj h ASN 1087N -0.65 0.84 -0.79 -0.43 2.35 -1.51 0.43 115.58 115.82 2ckj h ASN 1087Ca -0.07 -0.42 0.19 0.00 -0.55 0.00 0.00 56.30 55.45 2ckj h ASN 1087Cb 0.49 -0.24 -0.15 0.00 0.05 0.00 0.00 38.32 38.48 2ckj h ASN 1087CO 0.11 1.18 -0.09 0.61 -1.65 0.00 0.00 177.43 177.59 2ckj n GLY 1088N 0.23 -1.20 0.15 2.83 0.00 0.36 -0.59 105.19 106.97 2ckj n GLY 1088Ca -0.03 0.81 -0.17 0.00 0.00 0.00 0.00 46.02 46.63 2ckj n GLY 1088CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2ckj h GLN 1089N 0.00 0.46 -0.30 1.61 5.75 0.43 -2.51 115.11 120.56 2ckj h GLN 1089Ca 0.43 -0.42 -0.06 0.00 -0.15 0.00 0.00 58.65 58.45 2ckj h GLN 1089Cb 0.78 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.42 2ckj h GLN 1089CO -0.78 1.06 -0.05 0.00 -2.65 0.00 0.00 178.83 176.42 2ckj h ALA 1090N 0.41 0.41 -0.32 3.38 0.00 -1.25 0.14 119.26 122.03 2ckj h ALA 1090Ca -0.05 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.66 2ckj h ALA 1090Cb 1.21 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 2ckj h ALA 1090CO 0.11 0.21 -0.16 0.28 0.00 0.00 0.00 179.25 179.69 2ckj h VAL 1091N 0.33 0.52 -0.56 0.00 2.07 -0.91 -2.39 116.25 115.31 2ckj h VAL 1091Ca 0.08 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.71 2ckj h VAL 1091Cb 0.52 0.52 -0.09 0.00 -1.52 0.00 0.00 31.29 30.73 2ckj h VAL 1091CO 0.02 0.00 0.07 0.22 0.02 0.00 0.00 177.57 177.91 2ckj h TYR 1092N -0.11 0.10 -0.21 1.57 3.20 -0.91 -0.98 116.97 119.63 2ckj h TYR 1092Ca 0.17 0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.13 2ckj h TYR 1092Cb 0.36 0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.60 2ckj h TYR 1092CO -0.36 -0.07 -0.23 0.00 -1.64 0.00 0.00 178.16 175.86 2ckj h ALA 1093N 1.47 -0.13 -0.20 1.82 0.00 -0.47 -1.73 119.26 120.02 2ckj h ALA 1093Ca 0.29 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 2ckj h ALA 1093Cb 0.44 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2ckj h ALA 1093CO -0.41 -0.66 -0.18 0.00 0.00 0.00 0.00 179.25 177.99 2ckj h ALA 1094N 0.79 1.33 0.91 0.00 0.00 -1.07 -1.43 119.26 119.79 2ckj h ALA 1094Ca 0.13 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2ckj h ALA 1094Cb 0.44 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.14 2ckj h ALA 1094CO -0.36 0.45 -0.44 0.00 0.00 0.00 0.00 179.25 178.91 2ckj h GLN 1096N -1.31 0.04 -0.73 0.00 1.08 -0.37 0.49 115.11 114.32 2ckj h GLN 1096Ca -0.12 -0.00 0.18 0.00 -1.45 0.00 0.00 58.65 57.25 2ckj h GLN 1096Cb 0.94 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.32 2ckj h GLN 1096CO 0.21 0.03 0.50 1.15 -0.95 0.00 0.00 178.83 179.77 2ckj h THR 1097N 0.04 0.72 -0.20 -0.54 2.02 -1.45 0.32 112.91 113.82 2ckj h THR 1097Ca 0.28 -0.08 -0.08 0.00 0.77 0.00 0.00 66.41 67.31 2ckj h THR 1097Cb 0.44 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2ckj h THR 1097CO -0.54 0.04 -0.18 0.40 0.37 0.00 0.00 175.52 175.61 2ckj h ILE 1098N 0.22 1.33 0.00 3.11 2.04 0.22 -2.87 117.51 121.55 2ckj h ILE 1098Ca 0.36 -1.33 -0.12 0.00 1.00 0.00 0.00 64.86 64.77 2ckj h ILE 1098Cb 1.09 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.90 2ckj h ILE 1098CO -0.07 0.40 -0.56 -0.07 0.00 0.00 0.00 178.15 177.85 2ckj h LEU 1099N 0.14 0.00 -1.08 1.44 3.38 -0.59 0.23 115.31 118.84 2ckj h LEU 1099Ca 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2ckj h LEU 1099Cb 0.72 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2ckj h LEU 1099CO 0.05 0.56 0.19 0.50 0.09 0.00 0.00 178.44 179.83 2ckj h LYS 1100N 0.00 0.85 -0.40 1.13 1.63 -1.34 -1.95 116.57 116.49 2ckj h LYS 1100Ca -0.01 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.65 2ckj h LYS 1100Cb 1.04 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.51 2ckj h LYS 1100CO 0.07 0.73 0.25 0.00 -3.45 0.00 0.00 179.45 177.05 2ckj h ARG 1101N 0.83 0.54 0.00 1.90 3.08 -0.72 -3.11 114.38 116.90 2ckj h ARG 1101Ca 0.19 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2ckj h ARG 1101Cb 0.22 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2ckj h ARG 1101CO -0.01 0.37 -1.51 1.28 -1.07 0.00 0.00 179.97 179.02 2ckj n LEU 1102N -4.46 0.42 -0.34 3.04 4.77 -1.00 -4.50 117.00 114.92 2ckj n LEU 1102Ca 0.03 0.16 -0.02 0.00 -0.03 0.00 0.00 56.01 56.15 2ckj n LEU 1102Cb 0.07 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.16 2ckj n LEU 1102CO 0.35 -0.09 0.51 -0.62 -1.33 0.00 0.00 177.39 176.21 2ckj n GLU 1103N -2.46 -0.22 -0.31 3.23 -0.58 -0.77 -0.92 120.64 118.61 2ckj n GLU 1103Ca -0.02 1.35 0.18 0.00 -0.42 0.00 0.00 57.16 58.24 2ckj n GLU 1103Cb 0.56 -2.00 0.44 0.00 -0.57 0.00 0.00 31.44 29.87 2ckj n GLU 1103CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 2ckj h PRO 1104N 0.00 0.52 0.00 3.49 0.11 -1.81 0.16 132.00 134.48 2ckj h PRO 1104Ca 0.29 -0.03 -0.26 0.00 0.11 0.00 0.00 66.00 66.11 2ckj h PRO 1104Cb 0.51 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.46 2ckj h PRO 1104CO -0.87 0.35 -1.50 1.88 -0.21 0.00 0.00 178.00 177.65 2ckj h TYR 1105N 0.54 0.00 0.06 0.65 -1.99 -1.36 -2.51 116.97 112.36 2ckj h TYR 1105Ca 0.55 0.00 0.01 0.00 2.00 0.00 0.00 58.73 61.29 2ckj h TYR 1105Cb 1.16 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.87 2ckj h TYR 1105CO -0.00 0.98 -0.13 -0.22 -0.00 0.00 0.00 178.16 178.78 2ckj h LYS 1106N 0.00 -0.24 -0.32 4.88 3.64 -1.04 -3.04 116.57 120.44 2ckj h LYS 1106Ca -0.21 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.25 2ckj h LYS 1106Cb 1.93 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 33.75 2ckj h LYS 1106CO 0.09 -0.16 -0.06 -0.22 -2.27 0.00 0.00 179.45 176.83 2ckj h LYS 1107N -0.25 0.02 0.00 1.90 1.63 -0.64 -2.72 116.57 116.51 2ckj h LYS 1107Ca 0.03 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2ckj h LYS 1107Cb 0.28 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 2ckj h LYS 1107CO -0.09 0.01 0.00 1.63 -3.45 0.00 0.00 179.45 177.55 2ckj n LYS 1108N -5.24 0.68 -2.71 1.90 5.02 -0.95 -4.04 118.16 112.82 2ckj n LYS 1108Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.23 2ckj n LYS 1108Cb 0.18 -1.42 0.08 0.00 -0.02 0.00 0.00 35.03 33.85 2ckj n LYS 1108CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2ckj n ASN 1109N -0.92 -2.04 0.00 4.39 5.15 -1.04 -5.07 115.26 115.74 2ckj n ASN 1109Ca 0.14 -2.80 0.13 0.00 -0.60 0.00 0.00 54.58 51.45 2ckj n ASN 1109Cb 0.06 1.49 0.70 0.00 -0.53 0.00 0.00 39.78 41.50 2ckj n ASN 1109CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2ckj n PRO 1110N 0.97 0.51 -1.13 1.20 -0.04 -1.14 -2.43 135.00 132.94 2ckj n PRO 1110Ca 0.03 0.03 -0.17 0.00 -0.04 0.00 0.00 63.50 63.35 2ckj n PRO 1110Cb 0.70 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.82 2ckj n PRO 1110CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ckj n SER 1111N -1.20 3.86 -4.55 3.54 3.41 -1.26 -5.05 113.62 112.37 2ckj n SER 1111Ca 0.15 -3.73 -0.26 0.00 -0.26 0.00 0.00 58.87 54.77 2ckj n SER 1111Cb 0.18 -0.73 -0.11 0.00 -0.26 0.00 0.00 64.21 63.28 2ckj n SER 1111CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2ckj s GLY 1112N -2.10 2.25 0.91 5.00 0.00 -1.02 -5.14 107.32 107.22 2ckj s GLY 1112Ca 0.52 -2.14 -0.11 0.00 0.00 0.00 0.00 44.72 42.99 2ckj s GLY 1112CO 0.04 -2.02 1.09 -1.35 0.00 0.00 0.00 173.10 170.86 2ckj s SER 1113N -3.62 3.29 0.43 1.64 1.04 -1.26 -4.88 113.70 110.34 2ckj s SER 1113Ca 0.33 1.69 0.23 0.00 0.48 0.00 0.00 55.95 58.68 2ckj s SER 1113Cb 0.05 -2.33 0.85 0.00 0.10 0.00 0.00 66.02 64.70 2ckj s SER 1113CO 0.16 -2.79 1.80 -0.25 0.98 0.00 0.00 173.24 173.14 2ckj h TRP 1114N -1.65 0.00 0.00 5.02 2.91 -2.00 -2.36 115.95 117.87 2ckj h TRP 1114Ca -0.49 0.00 -0.18 0.00 1.13 0.00 0.00 58.89 59.36 2ckj h TRP 1114Cb 1.28 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.91 2ckj h TRP 1114CO 0.45 0.24 -0.83 0.93 -1.03 0.00 0.00 178.44 178.20 2ckj h GLU 1115N 0.00 0.06 -0.73 2.65 3.07 -1.93 -2.60 114.58 115.10 2ckj h GLU 1115Ca -0.00 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 58.76 2ckj h GLU 1115Cb 0.79 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.69 2ckj h GLU 1115CO 0.03 0.86 0.36 -0.44 -1.40 0.00 0.00 179.01 178.42 2ckj h ASP 1116N 0.03 0.96 0.50 1.42 5.19 -1.79 -2.16 116.42 120.58 2ckj h ASP 1116Ca -0.02 -0.13 -0.19 0.00 -0.62 0.00 0.00 57.03 56.08 2ckj h ASP 1116Cb 1.46 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.72 2ckj h ASP 1116CO 0.11 0.82 -0.80 -0.50 -3.12 0.00 0.00 179.24 175.75 2ckj h TRP 1117N 1.03 0.32 0.18 4.55 6.55 -1.35 -2.89 115.95 124.33 2ckj h TRP 1117Ca 0.25 -0.16 -0.01 0.00 0.95 0.00 0.00 58.89 59.92 2ckj h TRP 1117Cb 0.11 -0.04 0.00 0.00 -0.86 0.00 0.00 29.16 28.37 2ckj h TRP 1117CO 0.01 0.93 -0.09 0.28 -1.05 0.00 0.00 178.44 178.52 2ckj h VAL 1118N 0.14 0.91 0.00 1.49 2.07 -1.42 -2.26 116.25 117.17 2ckj h VAL 1118Ca -0.04 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2ckj h VAL 1118Cb 1.40 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2ckj h VAL 1118CO 0.12 0.11 0.00 0.71 0.02 0.00 0.00 177.57 178.53 2ckj h THR 1119N -0.48 0.00 0.24 2.57 1.35 -1.45 -0.57 112.91 114.57 2ckj h THR 1119Ca -0.02 -0.23 -0.34 0.00 -0.55 0.00 0.00 66.41 65.27 2ckj h THR 1119Cb 0.37 1.11 0.03 0.00 -1.73 0.00 0.00 68.15 67.93 2ckj h THR 1119CO 0.04 0.00 -1.54 0.00 -0.25 0.00 0.00 175.52 173.77 2ckj h ALA 1120N 2.04 -0.08 0.00 6.62 0.00 -1.38 -3.18 119.26 123.28 2ckj h ALA 1120Ca 0.00 -0.93 -0.18 0.00 0.00 0.00 0.00 54.91 53.80 2ckj h ALA 1120Cb 0.25 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2ckj h ALA 1120CO 0.00 0.78 -0.85 0.00 0.00 0.00 0.00 179.25 179.18 2ckj h ALA 1121N 0.16 0.60 -0.18 0.00 0.00 -0.58 -2.30 119.26 116.96 2ckj h ALA 1121Ca -0.27 -0.76 -0.01 0.00 0.00 0.00 0.00 54.91 53.86 2ckj h ALA 1121Cb 2.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 2ckj h ALA 1121CO 0.25 1.03 0.07 -0.92 0.00 0.00 0.00 179.25 179.68 2ckj h TYR 1122N 0.01 0.28 0.00 0.00 3.20 -1.28 0.36 116.97 119.55 2ckj h TYR 1122Ca -0.01 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.83 2ckj h TYR 1122Cb 1.49 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.68 2ckj h TYR 1122CO 0.00 0.35 0.00 0.52 -1.64 0.00 0.00 178.16 177.40 2ckj h MET 1123N 0.13 0.00 0.00 1.82 0.00 -1.49 -0.78 114.93 114.60 2ckj h MET 1123Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.76 2ckj h MET 1123Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.80 2ckj h MET 1123CO -0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.91 177.13 2ckj h ASP 1124N 0.00 0.00 0.00 1.22 3.58 -1.40 -3.49 116.42 116.33 2ckj h ASP 1124Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ckj h ASP 1124Cb 0.86 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.91 2ckj h ASP 1124CO 0.00 0.00 0.00 0.41 -2.88 0.00 0.00 179.24 176.77 2ckj n THR 1125N -2.46 0.00 -4.03 2.25 -1.04 -0.04 -5.08 114.28 103.87 2ckj n THR 1125Ca 0.05 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.75 2ckj n THR 1125Cb 0.45 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.90 2ckj n THR 1125CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2ckj s VAL 1126N -1.17 4.73 0.10 12.58 1.01 -0.27 -5.03 120.40 132.35 2ckj s VAL 1126Ca 0.00 -0.64 -0.31 0.00 0.00 0.00 0.00 61.98 61.03 2ckj s VAL 1126Cb 0.00 -3.26 -0.10 0.00 0.00 0.00 0.00 36.38 33.02 2ckj s VAL 1126CO 0.00 0.16 1.76 -0.55 0.00 0.00 0.00 175.10 176.47 2ckj s SER 1127N -2.31 6.50 -0.25 3.32 0.15 -1.26 -4.77 113.70 115.08 2ckj s SER 1127Ca 0.29 2.65 0.13 0.00 0.70 0.00 0.00 55.95 59.73 2ckj s SER 1127Cb -0.12 -2.57 0.67 0.00 -1.71 0.00 0.00 66.02 62.30 2ckj s SER 1127CO 0.22 -0.96 1.63 0.18 1.20 0.00 0.00 173.24 175.51 2ckj n LEU 1128N 5.62 5.06 -4.07 3.45 4.77 -1.26 -4.90 117.00 125.68 2ckj n LEU 1128Ca 0.17 -3.12 -0.24 0.00 -0.03 0.00 0.00 56.01 52.79 2ckj n LEU 1128Cb 0.39 -0.65 -0.16 0.00 -2.33 0.00 0.00 43.42 40.67 2ckj n LEU 1128CO 0.64 0.75 -0.47 -0.55 -1.33 0.00 0.00 177.39 176.43 2ckj s SER 1129N -1.42 1.74 -0.15 -1.43 0.15 -1.26 -0.30 113.70 111.03 2ckj s SER 1129Ca 0.50 -0.28 -0.18 0.00 0.70 0.00 0.00 55.95 56.68 2ckj s SER 1129Cb 0.40 -0.53 0.05 0.00 -1.71 0.00 0.00 66.02 64.22 2ckj s SER 1129CO 0.11 0.10 0.49 0.00 1.20 0.00 0.00 173.24 175.14 2ckj s ALA 1130N 0.21 -1.22 1.15 5.45 0.00 -0.47 -5.03 121.76 121.85 2ckj s ALA 1130Ca -0.05 1.23 -0.13 0.00 0.00 0.00 0.00 51.96 53.00 2ckj s ALA 1130Cb -0.11 -0.59 0.19 0.00 0.00 0.00 0.00 23.12 22.61 2ckj s ALA 1130CO 0.02 -0.25 0.72 0.25 0.00 0.00 0.00 175.76 176.49 2ckj n THR 1131N 2.37 0.00 0.00 0.00 -2.24 -1.26 -1.97 114.28 111.18 2ckj n THR 1131Ca -0.15 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 2ckj n THR 1131Cb 0.57 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 2ckj n THR 1131CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ckj n GLY 1132N -2.13 1.40 3.28 3.38 0.00 -0.76 -3.89 105.19 106.46 2ckj n GLY 1132Ca 0.10 0.34 -0.15 0.00 0.00 0.00 0.00 46.02 46.31 2ckj n GLY 1132CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ckj s PHE 1133N 0.00 1.37 -0.21 1.61 5.99 -1.26 -0.34 117.98 125.14 2ckj s PHE 1133Ca 0.00 -0.90 -0.27 0.00 0.00 0.00 0.00 56.93 55.76 2ckj s PHE 1133Cb 0.00 -0.76 0.10 0.00 0.00 0.00 0.00 43.02 42.35 2ckj s PHE 1133CO 0.00 -0.05 0.85 -0.47 -0.00 0.00 0.00 175.22 175.55 2ckj s TYR 1134N -3.46 -0.60 0.13 10.12 5.04 -0.80 -4.52 117.35 123.26 2ckj s TYR 1134Ca 0.23 1.33 0.09 0.00 -2.44 0.00 0.00 57.07 56.28 2ckj s TYR 1134Cb 0.05 0.35 -0.04 0.00 0.35 0.00 0.00 41.96 42.67 2ckj s TYR 1134CO 0.05 -0.37 -0.22 -0.98 -1.34 0.00 0.00 175.55 172.69 2ckj s ARG 1135N -0.21 1.23 -0.10 4.97 1.70 -1.26 -2.23 118.95 123.05 2ckj s ARG 1135Ca -0.01 -1.27 -0.14 0.00 -0.47 0.00 0.00 55.73 53.84 2ckj s ARG 1135Cb -0.03 -1.49 -0.05 0.00 -0.57 0.00 0.00 34.95 32.81 2ckj s ARG 1135CO 0.01 0.34 0.33 0.99 -1.08 0.00 0.00 175.30 175.88 2ckj s THR 1136N -1.38 5.23 0.29 4.99 2.01 -0.37 -4.97 115.64 121.45 2ckj s THR 1136Ca 0.11 0.64 0.00 0.00 0.31 0.00 0.00 61.69 62.75 2ckj s THR 1136Cb -0.09 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 2ckj s THR 1136CO 0.05 0.47 0.48 -2.16 -0.69 0.00 0.00 174.62 172.78 2ckj s PRO 1137N -0.20 3.50 -0.83 4.92 0.04 -1.26 -4.60 135.00 136.57 2ckj s PRO 1137Ca 0.20 -0.36 -0.03 0.00 0.04 0.00 0.00 61.00 60.84 2ckj s PRO 1137Cb -0.14 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.67 2ckj s PRO 1137CO 0.08 0.25 0.41 0.09 0.04 0.00 0.00 177.00 177.87 2ckj n ASN 1138N -1.38 -4.15 -4.77 6.66 3.02 -1.26 -5.03 115.26 108.34 2ckj n ASN 1138Ca -0.05 -0.19 -0.28 0.00 -0.03 0.00 0.00 54.58 54.03 2ckj n ASN 1138Cb 0.55 -2.97 -0.06 0.00 -0.61 0.00 0.00 39.78 36.69 2ckj n ASN 1138CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2ckj s LEU 1139N -4.03 3.73 0.00 3.41 1.02 -1.26 -4.82 118.68 116.73 2ckj s LEU 1139Ca 0.20 -0.11 0.00 0.00 0.02 0.00 0.00 54.13 54.24 2ckj s LEU 1139Cb -0.09 -2.38 0.00 0.00 0.02 0.00 0.00 46.19 43.74 2ckj s LEU 1139CO 0.25 0.12 0.00 0.61 0.02 0.00 0.00 176.35 177.35 2ckj n GLY 1140N 0.05 1.58 3.83 -3.19 0.00 0.16 -4.90 105.19 102.72 2ckj n GLY 1140Ca -0.09 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 2ckj n GLY 1140CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ckj s TYR 1141N 0.00 3.69 0.12 1.61 5.04 -1.26 -3.35 117.35 123.20 2ckj s TYR 1141Ca 0.00 0.90 0.10 0.00 -2.44 0.00 0.00 57.07 55.62 2ckj s TYR 1141Cb 0.00 -2.24 -0.04 0.00 0.35 0.00 0.00 41.96 40.03 2ckj s TYR 1141CO 0.00 0.63 -0.22 0.45 -1.34 0.00 0.00 175.55 175.07 2ckj s SER 1142N -0.95 3.65 0.26 4.32 0.15 -1.04 -4.96 113.70 115.13 2ckj s SER 1142Ca 0.22 -0.63 0.20 0.00 0.70 0.00 0.00 55.95 56.44 2ckj s SER 1142Cb -0.16 -0.41 0.08 0.00 -1.71 0.00 0.00 66.02 63.82 2ckj s SER 1142CO 0.11 0.18 1.24 -0.26 1.20 0.00 0.00 173.24 175.71 2ckj h PHE 1143N 3.81 0.00 -2.16 3.44 -1.00 -1.99 -3.16 116.94 115.89 2ckj h PHE 1143Ca -0.50 0.00 -0.59 0.00 2.81 0.00 0.00 57.97 59.69 2ckj h PHE 1143Cb 1.17 0.00 -0.41 0.00 3.61 0.00 0.00 35.95 40.31 2ckj h PHE 1143CO 0.60 0.20 -0.70 -0.85 -1.61 0.00 0.00 178.31 175.95 2ckj n GLU 1144N -2.94 2.20 0.00 1.51 0.00 -1.26 -4.00 120.64 116.15 2ckj n GLU 1144Ca -0.00 -4.40 0.00 0.00 0.00 0.00 0.00 57.16 52.76 2ckj n GLU 1144Cb 0.63 -2.05 0.00 0.00 0.00 0.00 0.00 31.44 30.02 2ckj n GLU 1144CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2ckj n THR 1145N 0.90 0.00 -3.69 3.84 5.66 -1.26 -5.04 114.28 114.68 2ckj n THR 1145Ca 0.28 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 61.14 2ckj n THR 1145Cb 0.43 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.21 2ckj n THR 1145CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2ckj n ASN 1146N 0.00 -0.96 -3.96 1.09 2.85 -1.19 -4.87 115.26 108.21 2ckj n ASN 1146Ca 0.00 -0.41 -0.13 0.00 -0.11 0.00 0.00 54.58 53.93 2ckj n ASN 1146Cb 0.00 -0.50 -0.08 0.00 1.24 0.00 0.00 39.78 40.44 2ckj n ASN 1146CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2ckj s SER 1147N -4.31 0.37 0.00 1.20 1.04 -1.24 -4.68 113.70 106.08 2ckj s SER 1147Ca 0.12 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.20 2ckj s SER 1147Cb -0.07 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2ckj s SER 1147CO 0.31 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 174.17 2ckj n GLY 1148N -0.36 -2.04 3.00 7.32 0.00 -1.26 -2.51 105.19 109.33 2ckj n GLY 1148Ca 0.02 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.09 2ckj n GLY 1148CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ckj s ASN 1149N -3.82 4.71 -0.12 1.61 0.02 -1.21 -4.73 114.94 111.39 2ckj s ASN 1149Ca 0.00 -2.11 0.08 0.00 -1.02 0.00 0.00 52.86 49.81 2ckj s ASN 1149Cb 0.00 -1.57 -0.23 0.00 0.02 0.00 0.00 41.25 39.47 2ckj s ASN 1149CO 0.00 -0.38 0.35 -0.81 0.02 0.00 0.00 177.10 176.28 2ckj n PRO 1150N 4.30 0.68 -0.82 -0.60 -0.04 -1.26 0.38 135.00 137.64 2ckj n PRO 1150Ca 0.03 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2ckj n PRO 1150Cb 0.42 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 2ckj n PRO 1150CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2ckj n PHE 1151N -3.11 -0.67 0.00 0.54 3.01 -1.26 -4.74 117.46 111.23 2ckj n PHE 1151Ca -0.28 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.18 2ckj n PHE 1151Cb 1.07 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.54 2ckj n PHE 1151CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 2ckj n HIS 1152N -0.22 0.00 -3.87 1.38 -0.00 -0.97 -4.94 115.22 106.60 2ckj n HIS 1152Ca 0.00 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.08 2ckj n HIS 1152Cb 0.00 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 29.88 2ckj n HIS 1152CO 0.00 0.00 0.00 1.52 0.46 0.00 0.00 176.34 178.32 2ckj s TYR 1153N -1.61 0.37 0.11 1.57 -0.85 -1.26 -5.04 117.35 110.64 2ckj s TYR 1153Ca 0.00 -0.96 0.08 0.00 -0.52 0.00 0.00 57.07 55.67 2ckj s TYR 1153Cb 0.00 0.65 -0.04 0.00 0.38 0.00 0.00 41.96 42.95 2ckj s TYR 1153CO 0.00 -1.51 -0.21 -0.06 -1.52 0.00 0.00 175.55 172.24 2ckj s PHE 1154N -2.31 1.84 0.08 -3.49 0.40 -1.26 -1.52 117.98 111.72 2ckj s PHE 1154Ca 0.19 -0.42 -0.09 0.00 -0.60 0.00 0.00 56.93 56.02 2ckj s PHE 1154Cb -0.04 -1.00 -0.06 0.00 0.51 0.00 0.00 43.02 42.44 2ckj s PHE 1154CO 0.14 0.23 0.37 0.45 0.70 0.00 0.00 175.22 177.12 2ckj s SER 1155N -2.01 6.59 0.07 1.36 0.15 0.50 -4.92 113.70 115.44 2ckj s SER 1155Ca 0.08 0.72 0.02 0.00 0.70 0.00 0.00 55.95 57.48 2ckj s SER 1155Cb -0.10 -2.15 -0.03 0.00 -1.71 0.00 0.00 66.02 62.03 2ckj s SER 1155CO 0.05 0.17 -0.08 -0.31 1.20 0.00 0.00 173.24 174.26 2ckj s TYR 1156N -1.42 0.81 0.00 3.44 1.51 -1.26 -1.53 117.35 118.91 2ckj s TYR 1156Ca 0.33 -0.63 0.00 0.00 -1.01 0.00 0.00 57.07 55.76 2ckj s TYR 1156Cb -0.14 -0.47 0.00 0.00 -0.11 0.00 0.00 41.96 41.24 2ckj s TYR 1156CO 0.19 -0.08 0.00 0.41 -1.11 0.00 0.00 175.55 174.95 2ckj n GLY 1157N 0.92 -1.02 3.64 0.71 0.00 -0.89 -2.46 105.19 106.08 2ckj n GLY 1157Ca -0.19 -1.04 -0.07 0.00 0.00 0.00 0.00 46.02 44.73 2ckj n GLY 1157CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ckj s VAL 1158N -2.00 0.00 0.01 1.61 1.01 -1.11 -2.28 120.40 117.64 2ckj s VAL 1158Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.99 2ckj s VAL 1158Cb 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 2ckj s VAL 1158CO 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 175.10 175.07 2ckj s ALA 1159N 0.36 0.18 -0.13 5.51 0.00 -0.81 -2.06 121.76 124.81 2ckj s ALA 1159Ca 0.02 -0.35 -0.07 0.00 0.00 0.00 0.00 51.96 51.57 2ckj s ALA 1159Cb -0.05 0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.17 2ckj s ALA 1159CO -0.09 -0.05 0.31 0.00 0.00 0.00 0.00 175.76 175.93 2ckj s SER 1161N 1.42 0.68 0.00 0.00 0.01 -0.65 -0.68 113.70 114.48 2ckj s SER 1161Ca -0.09 -0.49 0.08 0.00 1.31 0.00 0.00 55.95 56.77 2ckj s SER 1161Cb -0.10 0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.15 2ckj s SER 1161CO -0.10 -0.20 -0.25 -0.70 0.41 0.00 0.00 173.24 172.40 2ckj s GLU 1162N -1.40 1.93 0.04 12.44 2.12 -0.89 -1.83 118.70 131.11 2ckj s GLU 1162Ca -0.10 -0.96 -0.00 0.00 0.36 0.00 0.00 54.97 54.26 2ckj s GLU 1162Cb -0.09 -1.95 -0.03 0.00 0.26 0.00 0.00 34.13 32.32 2ckj s GLU 1162CO 0.00 0.52 -0.03 0.14 -0.54 0.00 0.00 175.26 175.35 2ckj s VAL 1163N -0.67 0.22 -0.06 3.70 -7.23 -0.09 -1.91 120.40 114.37 2ckj s VAL 1163Ca 0.10 -1.53 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 2ckj s VAL 1163Cb -0.10 -1.12 0.02 0.00 0.56 0.00 0.00 36.38 35.74 2ckj s VAL 1163CO 0.00 -0.83 -0.04 -0.70 -0.31 0.00 0.00 175.10 173.22 2ckj s GLU 1164N -3.11 0.93 0.33 4.82 2.12 -1.16 -1.45 118.70 121.17 2ckj s GLU 1164Ca -0.00 -0.10 0.01 0.00 0.36 0.00 0.00 54.97 55.24 2ckj s GLU 1164Cb 0.02 -1.00 -0.03 0.00 0.26 0.00 0.00 34.13 33.38 2ckj s GLU 1164CO -0.07 -0.14 0.51 0.96 -0.54 0.00 0.00 175.26 175.98 2ckj s ILE 1165N 1.23 5.13 -0.34 -3.70 -4.36 -0.28 -1.76 121.20 117.11 2ckj s ILE 1165Ca -0.06 -0.55 -0.03 0.00 -0.26 0.00 0.00 60.65 59.75 2ckj s ILE 1165Cb -0.14 -3.86 0.07 0.00 1.25 0.00 0.00 42.46 39.78 2ckj s ILE 1165CO -0.02 -0.51 0.09 -0.62 0.24 0.00 0.00 174.94 174.12 2ckj s ASP 1166N -4.01 5.11 0.00 4.36 2.15 0.79 -3.30 116.67 121.76 2ckj s ASP 1166Ca 0.39 -1.46 0.27 0.00 0.43 0.00 0.00 52.55 52.18 2ckj s ASP 1166Cb -0.09 -1.79 0.90 0.00 -0.30 0.00 0.00 42.92 41.64 2ckj s ASP 1166CO 0.35 -0.36 1.65 0.00 -0.17 0.00 0.00 175.17 176.64 2ckj h LEU 1168N 1.86 0.55 0.00 0.00 3.38 -1.93 -3.42 115.31 115.74 2ckj h LEU 1168Ca 0.00 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2ckj h LEU 1168Cb 0.51 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2ckj h LEU 1168CO 0.00 1.26 -1.23 0.35 0.09 0.00 0.00 178.44 178.91 2ckj n THR 1169N -3.73 0.00 -0.63 0.22 -2.24 -1.02 -4.87 114.28 102.00 2ckj n THR 1169Ca -0.07 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2ckj n THR 1169Cb 0.86 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 2ckj n THR 1169CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ckj n GLY 1170N 2.07 0.65 3.87 3.38 0.00 0.10 -4.81 105.19 110.44 2ckj n GLY 1170Ca -0.01 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 2ckj n GLY 1170CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ckj s ASP 1171N -2.31 6.64 0.07 1.61 2.15 -1.22 -3.68 116.67 119.92 2ckj s ASP 1171Ca 0.00 0.88 0.02 0.00 0.43 0.00 0.00 52.55 53.88 2ckj s ASP 1171Cb 0.00 -2.21 -0.03 0.00 -0.30 0.00 0.00 42.92 40.38 2ckj s ASP 1171CO 0.00 0.01 -0.08 -1.38 -0.17 0.00 0.00 175.17 173.56 2ckj s HIS 1172N -1.67 0.80 0.49 -5.34 -3.43 -1.26 -0.15 115.29 104.72 2ckj s HIS 1172Ca 0.43 -0.67 -0.05 0.00 -0.80 0.00 0.00 55.06 53.97 2ckj s HIS 1172Cb -0.12 -0.47 -0.03 0.00 -1.43 0.00 0.00 32.58 30.53 2ckj s HIS 1172CO 0.21 -0.10 0.79 0.15 -2.00 0.00 0.00 174.74 173.79 2ckj s LYS 1173N -2.53 3.47 -0.90 -0.38 1.02 -0.72 -4.98 119.74 114.72 2ckj s LYS 1173Ca -0.00 0.15 -0.01 0.00 0.02 0.00 0.00 55.97 56.12 2ckj s LYS 1173Cb -0.04 -2.38 0.22 0.00 -0.52 0.00 0.00 37.83 35.12 2ckj s LYS 1173CO -0.02 -0.24 0.79 0.09 -0.92 0.00 0.00 175.35 175.06 2ckj n ASN 1174N -2.27 4.22 0.07 2.83 3.02 -1.26 -2.97 115.26 118.90 2ckj n ASN 1174Ca 0.01 -3.14 -0.13 0.00 -0.03 0.00 0.00 54.58 51.29 2ckj n ASN 1174Cb 0.55 -1.05 -0.08 0.00 -0.61 0.00 0.00 39.78 38.60 2ckj n ASN 1174CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2ckj h LEU 1175N 5.94 -0.11 -7.80 3.41 3.38 -1.71 -2.69 115.31 115.72 2ckj h LEU 1175Ca 0.16 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2ckj h LEU 1175Cb 0.80 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 41.45 2ckj h LEU 1175CO 0.86 0.08 -0.30 -0.60 0.09 0.00 0.00 178.44 178.58 2ckj s ARG 1176N -5.49 0.97 -0.20 1.13 3.52 -1.15 -2.78 118.95 114.94 2ckj s ARG 1176Ca -0.14 -0.96 -0.09 0.00 -0.13 0.00 0.00 55.73 54.40 2ckj s ARG 1176Cb 0.04 0.38 0.08 0.00 -1.56 0.00 0.00 34.95 33.89 2ckj s ARG 1176CO 0.65 -0.34 0.46 0.99 -0.81 0.00 0.00 175.30 176.24 2ckj s THR 1177N -3.88 -0.36 -0.24 4.11 2.01 -0.43 -2.10 115.64 114.75 2ckj s THR 1177Ca 0.08 0.11 -0.03 0.00 0.31 0.00 0.00 61.69 62.16 2ckj s THR 1177Cb 0.04 -0.70 0.01 0.00 0.01 0.00 0.00 72.50 71.86 2ckj s THR 1177CO -0.08 0.05 -0.04 -1.81 -0.69 0.00 0.00 174.62 172.04 2ckj s ASP 1178N 2.06 4.33 0.09 3.53 1.01 0.15 -1.10 116.67 126.73 2ckj s ASP 1178Ca -0.06 -0.64 0.02 0.00 0.71 0.00 0.00 52.55 52.58 2ckj s ASP 1178Cb -0.10 -1.71 -0.04 0.00 1.01 0.00 0.00 42.92 42.08 2ckj s ASP 1178CO -0.14 -0.08 0.14 -0.63 0.21 0.00 0.00 175.17 174.67 2ckj s ILE 1179N 1.41 4.87 -0.06 0.77 1.01 0.16 -0.15 121.20 129.21 2ckj s ILE 1179Ca 0.03 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 60.00 2ckj s ILE 1179Cb -0.15 -3.38 0.03 0.00 0.01 0.00 0.00 42.46 38.96 2ckj s ILE 1179CO -0.04 0.09 0.01 -0.69 0.00 0.00 0.00 174.94 174.31 2ckj s VAL 1180N -1.49 0.29 -0.05 2.92 1.01 -0.88 -2.07 120.40 120.13 2ckj s VAL 1180Ca 0.32 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.48 2ckj s VAL 1180Cb -0.12 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.82 2ckj s VAL 1180CO 0.25 0.24 -0.09 -0.32 0.00 0.00 0.00 175.10 175.17 2ckj s MET 1181N 1.88 1.31 -0.80 2.72 1.75 0.32 -2.76 119.30 123.73 2ckj s MET 1181Ca 0.03 -0.30 -0.25 0.00 -1.25 0.00 0.00 55.69 53.92 2ckj s MET 1181Cb -0.12 -1.15 0.05 0.00 2.84 0.00 0.00 34.83 36.45 2ckj s MET 1181CO -0.04 0.01 1.25 0.34 -0.65 0.00 0.00 175.02 175.93 2ckj s ASP 1182N 0.64 6.26 0.00 1.11 2.15 -1.03 0.50 116.67 126.30 2ckj s ASP 1182Ca -0.12 -0.86 0.21 0.00 0.43 0.00 0.00 52.55 52.22 2ckj s ASP 1182Cb -0.14 -2.53 0.20 0.00 -0.30 0.00 0.00 42.92 40.15 2ckj s ASP 1182CO 0.02 -1.65 1.19 1.33 -0.17 0.00 0.00 175.17 175.90 2ckj n VAL 1183N 6.35 0.08 -4.12 1.11 0.24 -1.26 -4.44 118.33 116.29 2ckj n VAL 1183Ca 0.09 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 2ckj n VAL 1183Cb 0.49 1.36 0.00 0.00 -1.47 0.00 0.00 33.84 34.22 2ckj n VAL 1183CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ckj n GLY 1184N 1.21 -0.34 3.45 7.63 0.00 -1.26 0.20 105.19 116.08 2ckj n GLY 1184Ca 0.13 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 2ckj n GLY 1184CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ckj s SER 1185N -4.00 6.40 0.17 1.61 0.01 -0.21 -4.81 113.70 112.87 2ckj s SER 1185Ca 0.00 -1.53 -0.33 0.00 1.31 0.00 0.00 55.95 55.40 2ckj s SER 1185Cb 0.00 -2.41 -0.15 0.00 0.21 0.00 0.00 66.02 63.67 2ckj s SER 1185CO 0.00 -1.25 1.28 -0.24 0.41 0.00 0.00 173.24 173.44 2ckj n SER 1186N 7.12 1.85 0.18 2.44 2.88 -1.26 -4.16 113.62 122.67 2ckj n SER 1186Ca 0.10 1.13 0.15 0.00 -1.33 0.00 0.00 58.87 58.93 2ckj n SER 1186Cb 0.47 -1.27 0.76 0.00 -0.75 0.00 0.00 64.21 63.42 2ckj n SER 1186CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2ckj h LEU 1187N 3.97 0.00 -5.16 2.46 3.38 -1.92 -3.36 115.31 114.69 2ckj h LEU 1187Ca -0.45 0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.67 2ckj h LEU 1187Cb 1.32 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.90 2ckj h LEU 1187CO 0.74 0.00 -0.08 0.21 0.09 0.00 0.00 178.44 179.40 2ckj s ASN 1188N -6.23 -0.23 0.50 -0.43 3.84 -1.26 0.96 114.94 112.09 2ckj s ASN 1188Ca -0.05 -0.11 0.30 0.00 0.21 0.00 0.00 52.86 53.21 2ckj s ASN 1188Cb 0.17 0.30 1.01 0.00 -0.55 0.00 0.00 41.25 42.18 2ckj s ASN 1188CO 0.62 -0.03 1.85 -0.65 -2.79 0.00 0.00 177.10 176.10 2ckj h PRO 1189N 5.31 0.00 -0.23 0.43 0.11 -1.82 0.12 132.00 135.93 2ckj h PRO 1189Ca -0.04 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 2ckj h PRO 1189Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2ckj h PRO 1189CO -0.09 0.00 0.04 0.00 -0.21 0.00 0.00 178.00 177.74 2ckj h ALA 1190N 2.02 0.30 -0.06 -0.75 0.00 -1.88 -3.31 119.26 115.58 2ckj h ALA 1190Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2ckj h ALA 1190Cb 0.67 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2ckj h ALA 1190CO 0.00 -0.03 -0.01 0.82 0.00 0.00 0.00 179.25 180.03 2ckj h ILE 1191N 0.18 1.28 -4.30 0.00 2.04 -1.37 -2.94 117.51 112.40 2ckj h ILE 1191Ca 0.07 -0.87 -0.50 0.00 1.00 0.00 0.00 64.86 64.56 2ckj h ILE 1191Cb 0.31 1.75 0.11 0.00 -0.74 0.00 0.00 36.82 38.25 2ckj h ILE 1191CO 0.00 0.24 0.34 -1.81 0.00 0.00 0.00 178.15 176.93 2ckj s ASP 1192N -5.67 4.84 0.00 1.72 1.01 -0.43 -0.83 116.67 117.30 2ckj s ASP 1192Ca -0.15 1.53 0.00 0.00 0.71 0.00 0.00 52.55 54.64 2ckj s ASP 1192Cb 0.04 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 41.65 2ckj s ASP 1192CO 0.69 -1.78 0.00 -0.38 0.21 0.00 0.00 175.17 173.91 2ckj n ILE 1193N -3.34 0.00 -0.19 0.77 5.41 -1.26 -4.12 119.36 116.63 2ckj n ILE 1193Ca 0.07 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.73 2ckj n ILE 1193Cb 0.54 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 39.40 2ckj n ILE 1193CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2ckj h GLY 1194N 0.00 -1.30 -0.23 7.39 0.00 -1.32 0.12 103.07 107.73 2ckj h GLY 1194Ca 0.00 0.82 0.10 0.00 0.00 0.00 0.00 47.33 48.25 2ckj h GLY 1194CO 0.00 -0.27 -0.24 -1.61 0.00 0.00 0.00 176.54 174.42 2ckj h GLN 1195N -0.17 -0.11 0.28 4.80 5.75 -1.14 -1.00 115.11 123.52 2ckj h GLN 1195Ca 0.08 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.58 2ckj h GLN 1195Cb 0.38 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.93 2ckj h GLN 1195CO -0.54 -0.07 -0.42 0.28 -2.65 0.00 0.00 178.83 175.43 2ckj h VAL 1196N -0.12 0.00 -0.60 2.39 2.07 -1.75 -2.64 116.25 115.60 2ckj h VAL 1196Ca 0.24 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.86 2ckj h VAL 1196Cb 0.49 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.19 2ckj h VAL 1196CO -0.60 0.00 0.19 -0.33 0.02 0.00 0.00 177.57 176.85 2ckj h GLU 1197N -0.73 0.34 -0.54 1.57 5.08 -0.72 -0.12 114.58 119.45 2ckj h GLU 1197Ca -0.03 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.42 2ckj h GLU 1197Cb 0.67 -0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.74 2ckj h GLU 1197CO -0.13 0.22 -0.13 0.78 -1.00 0.00 0.00 179.01 178.75 2ckj h GLY 1198N 0.35 0.39 1.57 -3.84 0.00 -1.20 -2.04 103.07 98.29 2ckj h GLY 1198Ca 0.31 0.18 -0.23 0.00 0.00 0.00 0.00 47.33 47.58 2ckj h GLY 1198CO -0.34 -0.21 -0.99 0.00 0.00 0.00 0.00 176.54 175.01 2ckj h ALA 1199N 1.54 0.33 -0.40 3.60 0.00 -1.06 -2.23 119.26 121.04 2ckj h ALA 1199Ca 0.26 -0.74 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 2ckj h ALA 1199Cb 0.39 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2ckj h ALA 1199CO -0.56 0.84 0.09 0.35 0.00 0.00 0.00 179.25 179.98 2ckj h PHE 1200N 0.20 0.60 -0.00 0.00 3.57 -0.95 -1.93 116.94 118.43 2ckj h PHE 1200Ca -0.09 -0.04 -0.24 0.00 3.53 0.00 0.00 57.97 61.13 2ckj h PHE 1200Cb 1.64 -0.18 0.01 0.00 2.79 0.00 0.00 35.95 40.21 2ckj h PHE 1200CO 0.06 0.53 -0.96 0.28 -2.23 0.00 0.00 178.31 175.98 2ckj h VAL 1201N 0.58 1.36 -0.92 1.41 2.07 -1.20 -2.78 116.25 116.77 2ckj h VAL 1201Ca 0.13 -2.38 0.16 0.00 0.82 0.00 0.00 66.70 65.44 2ckj h VAL 1201Cb 0.23 2.39 -0.08 0.00 -1.52 0.00 0.00 31.29 32.32 2ckj h VAL 1201CO -0.00 0.72 0.59 1.56 0.02 0.00 0.00 177.57 180.45 2ckj h GLN 1202N 0.28 0.63 0.16 1.57 4.20 -0.94 -1.33 115.11 119.69 2ckj h GLN 1202Ca -0.09 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.58 2ckj h GLN 1202Cb 1.60 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 29.23 2ckj h GLN 1202CO 0.17 0.42 -0.16 0.78 -0.67 0.00 0.00 178.83 179.37 2ckj h GLY 1203N 0.65 -0.34 -0.79 3.46 0.00 -1.28 -1.22 103.07 103.55 2ckj h GLY 1203Ca 0.47 0.18 0.17 0.00 0.00 0.00 0.00 47.33 48.16 2ckj h GLY 1203CO -0.23 -0.16 -0.15 -0.10 0.00 0.00 0.00 176.54 175.91 2ckj n LEU 1204N -5.28 -0.24 0.32 3.11 -0.00 -0.53 -0.97 117.00 113.40 2ckj n LEU 1204Ca -0.08 1.35 -0.12 0.00 -0.00 0.00 0.00 56.01 57.16 2ckj n LEU 1204Cb 0.20 -0.43 -0.06 0.00 -0.00 0.00 0.00 43.42 43.13 2ckj n LEU 1204CO 0.31 -1.31 0.47 1.23 -0.00 0.00 0.00 177.39 178.08 2ckj h GLY 1205N 0.00 -0.84 0.63 -3.96 0.00 -1.04 -2.48 103.07 95.38 2ckj h GLY 1205Ca 0.40 0.31 0.13 0.00 0.00 0.00 0.00 47.33 48.18 2ckj h GLY 1205CO -0.79 -0.31 0.56 -2.00 0.00 0.00 0.00 176.54 173.99 2ckj h LEU 1206N -0.89 0.00 -0.43 3.11 5.85 0.14 -0.93 115.31 122.16 2ckj h LEU 1206Ca -0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2ckj h LEU 1206Cb 0.62 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2ckj h LEU 1206CO 0.14 0.00 -0.34 0.49 -0.34 0.00 0.00 178.44 178.39 2ckj n PHE 1207N -3.54 0.00 -1.26 1.25 0.99 -0.17 -4.58 117.46 110.15 2ckj n PHE 1207Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.54 2ckj n PHE 1207Cb 0.74 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.22 2ckj n PHE 1207CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 2ckj n THR 1208N -0.68 0.00 0.00 4.37 -2.24 -0.75 -1.01 114.28 113.98 2ckj n THR 1208Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2ckj n THR 1208Cb 0.20 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 2ckj n THR 1208CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2ckj n LEU 1209N 0.00 0.00 -4.62 3.22 7.94 -0.44 -3.72 117.00 119.38 2ckj n LEU 1209Ca 0.00 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.48 2ckj n LEU 1209Cb 0.42 0.09 -0.04 0.00 0.53 0.00 0.00 43.42 44.42 2ckj n LEU 1209CO 0.00 -0.30 0.71 -1.61 -1.11 0.00 0.00 177.39 175.08 2ckj s GLU 1210N -1.60 4.01 -0.14 1.96 2.02 -0.68 -4.68 118.70 119.59 2ckj s GLU 1210Ca 0.00 0.76 0.01 0.00 0.02 0.00 0.00 54.97 55.76 2ckj s GLU 1210Cb 0.00 -3.73 0.02 0.00 0.10 0.00 0.00 34.13 30.52 2ckj s GLU 1210CO 0.00 -0.74 -0.15 -2.00 0.02 0.00 0.00 175.26 172.39 2ckj s GLU 1211N 3.16 2.36 -0.05 1.61 2.12 -1.26 -4.83 118.70 121.81 2ckj s GLU 1211Ca 0.37 -0.59 -0.14 0.00 0.36 0.00 0.00 54.97 54.96 2ckj s GLU 1211Cb -0.14 -2.08 -0.05 0.00 0.26 0.00 0.00 34.13 32.12 2ckj s GLU 1211CO 0.13 -0.16 0.36 -0.51 -0.54 0.00 0.00 175.26 174.54 2ckj s LEU 1212N 1.26 4.42 -0.04 2.70 1.02 -1.26 -4.88 118.68 121.90 2ckj s LEU 1212Ca 0.00 0.83 0.03 0.00 0.02 0.00 0.00 54.13 55.01 2ckj s LEU 1212Cb -0.14 -2.50 -0.03 0.00 0.02 0.00 0.00 46.19 43.55 2ckj s LEU 1212CO -0.07 0.28 -0.11 -1.00 0.02 0.00 0.00 176.35 175.47 2ckj s HIS 1213N -0.73 2.81 0.07 0.29 3.76 -1.26 -5.03 115.29 115.19 2ckj s HIS 1213Ca 0.22 -0.08 0.09 0.00 -0.15 0.00 0.00 55.06 55.14 2ckj s HIS 1213Cb -0.15 -1.65 -0.03 0.00 1.11 0.00 0.00 32.58 31.86 2ckj s HIS 1213CO 0.11 0.27 -0.24 0.71 -0.85 0.00 0.00 174.74 174.74 2ckj s TYR 1214N -0.81 2.11 0.76 1.40 1.51 -1.26 -1.90 117.35 119.15 2ckj s TYR 1214Ca 0.13 -0.40 -0.13 0.00 -1.01 0.00 0.00 57.07 55.66 2ckj s TYR 1214Cb -0.11 -1.22 0.05 0.00 -0.11 0.00 0.00 41.96 40.57 2ckj s TYR 1214CO 0.02 0.17 1.14 -1.54 -1.11 0.00 0.00 175.55 174.23 2ckj s SER 1215N -1.47 4.24 0.56 2.29 1.04 -0.75 -3.18 113.70 116.43 2ckj s SER 1215Ca 0.10 2.11 0.25 0.00 0.48 0.00 0.00 55.95 58.89 2ckj s SER 1215Cb -0.10 -2.56 1.55 0.00 0.10 0.00 0.00 66.02 65.02 2ckj s SER 1215CO 0.03 -2.22 2.15 1.55 0.98 0.00 0.00 173.24 175.73 2ckj h PRO 1216N -0.72 0.00 -0.22 4.02 0.13 -1.86 0.92 132.00 134.27 2ckj h PRO 1216Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2ckj h PRO 1216Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2ckj h PRO 1216CO 0.49 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.41 2ckj n GLU 1217N -4.12 2.13 0.00 0.86 0.00 -1.26 -4.91 120.64 113.35 2ckj n GLU 1217Ca -0.00 -1.97 0.00 0.00 0.00 0.00 0.00 57.16 55.19 2ckj n GLU 1217Cb 0.21 -1.42 0.00 0.00 0.00 0.00 0.00 31.44 30.23 2ckj n GLU 1217CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ckj n GLY 1218N 1.22 1.37 3.77 -1.84 0.00 0.32 -4.61 105.19 105.42 2ckj n GLY 1218Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 2ckj n GLY 1218CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ckj s SER 1219N -2.00 6.87 0.06 1.61 0.15 -1.26 -4.54 113.70 114.59 2ckj s SER 1219Ca 0.00 1.03 -0.31 0.00 0.70 0.00 0.00 55.95 57.37 2ckj s SER 1219Cb 0.00 -2.31 -0.07 0.00 -1.71 0.00 0.00 66.02 61.92 2ckj s SER 1219CO 0.00 0.15 1.50 -0.22 1.20 0.00 0.00 173.24 175.87 2ckj s LEU 1220N -0.30 4.35 0.06 3.45 2.96 -1.26 -1.80 118.68 126.14 2ckj s LEU 1220Ca 0.28 2.33 0.20 0.00 -0.22 0.00 0.00 54.13 56.72 2ckj s LEU 1220Cb -0.17 -3.57 -0.15 0.00 0.50 0.00 0.00 46.19 42.80 2ckj s LEU 1220CO 0.15 -0.77 0.74 1.41 -1.32 0.00 0.00 176.35 176.55 2ckj n HIS 1221N 5.04 0.66 -3.78 5.38 8.25 -0.80 -4.85 115.22 125.11 2ckj n HIS 1221Ca 0.14 0.21 -0.36 0.00 -0.26 0.00 0.00 57.72 57.44 2ckj n HIS 1221Cb 0.42 -0.90 -0.12 0.00 1.12 0.00 0.00 29.99 30.51 2ckj n HIS 1221CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2ckj s THR 1222N -3.16 3.36 -0.06 1.59 -1.32 -1.25 -4.98 115.64 109.82 2ckj s THR 1222Ca -0.04 -1.78 0.10 0.00 -1.21 0.00 0.00 61.69 58.77 2ckj s THR 1222Cb 0.10 -3.17 0.18 0.00 -1.51 0.00 0.00 72.50 68.10 2ckj s THR 1222CO 0.83 -0.51 1.09 0.54 -2.21 0.00 0.00 174.62 174.36 2ckj n ARG 1223N 4.65 0.60 -3.67 7.08 1.74 -1.26 -4.87 116.66 120.93 2ckj n ARG 1223Ca -0.06 -1.86 -0.03 0.00 -0.77 0.00 0.00 57.85 55.12 2ckj n ARG 1223Cb 0.42 -0.92 -0.01 0.00 -1.02 0.00 0.00 32.46 30.93 2ckj n ARG 1223CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2ckj s GLY 1224N -1.97 -0.32 0.28 -0.13 0.00 -1.26 -4.03 107.32 99.89 2ckj s GLY 1224Ca 0.18 0.51 0.07 0.00 0.00 0.00 0.00 44.72 45.48 2ckj s GLY 1224CO -0.01 0.13 1.05 -1.55 0.00 0.00 0.00 173.10 172.72 2ckj n PRO 1225N -0.41 0.06 -0.07 2.90 -0.04 -1.26 -0.71 135.00 135.47 2ckj n PRO 1225Ca -0.07 0.49 -0.13 0.00 -0.04 0.00 0.00 63.50 63.75 2ckj n PRO 1225Cb 0.61 -2.11 -0.11 0.00 -0.04 0.00 0.00 33.50 31.86 2ckj n PRO 1225CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ckj h SER 1226N 0.00 0.00 0.24 3.54 4.64 -1.95 -3.41 113.55 116.62 2ckj h SER 1226Ca 0.00 -0.78 -0.34 0.00 -0.47 0.00 0.00 61.79 60.20 2ckj h SER 1226Cb 0.86 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.95 2ckj h SER 1226CO 0.00 1.02 -1.72 0.71 -0.87 0.00 0.00 176.83 175.97 2ckj h THR 1227N -1.00 0.97 -3.53 2.95 1.35 -1.64 -3.44 112.91 108.56 2ckj h THR 1227Ca -0.06 -2.56 -0.68 0.00 -0.55 0.00 0.00 66.41 62.56 2ckj h THR 1227Cb 0.92 2.75 -0.18 0.00 -1.73 0.00 0.00 68.15 69.92 2ckj h THR 1227CO -0.03 0.85 -0.07 -0.47 -0.25 0.00 0.00 175.52 175.54 2ckj s TYR 1228N -2.59 3.12 -0.94 4.73 5.04 0.11 -4.93 117.35 121.90 2ckj s TYR 1228Ca -0.15 -0.29 -0.09 0.00 -2.44 0.00 0.00 57.07 54.11 2ckj s TYR 1228Cb 0.06 -3.11 0.24 0.00 0.35 0.00 0.00 41.96 39.50 2ckj s TYR 1228CO 0.85 -0.79 0.88 0.15 -1.34 0.00 0.00 175.55 175.31 2ckj s LYS 1229N 2.41 3.71 1.05 4.97 -0.14 -1.26 -4.27 119.74 126.20 2ckj s LYS 1229Ca 0.16 -2.93 -0.12 0.00 -1.36 0.00 0.00 55.97 51.72 2ckj s LYS 1229Cb -0.16 -4.34 0.22 0.00 -1.68 0.00 0.00 37.83 31.86 2ckj s LYS 1229CO 0.15 -1.25 1.07 0.96 -0.76 0.00 0.00 175.35 175.52 2ckj s ILE 1230N -0.71 2.17 0.26 2.17 -4.36 -1.26 -4.47 121.20 114.99 2ckj s ILE 1230Ca 0.25 0.06 -0.30 0.00 -0.26 0.00 0.00 60.65 60.40 2ckj s ILE 1230Cb -0.11 -2.25 -0.09 0.00 1.25 0.00 0.00 42.46 41.26 2ckj s ILE 1230CO -0.09 -0.07 0.98 -2.16 0.24 0.00 0.00 174.94 173.85 2ckj s PRO 1231N -4.66 4.78 0.48 0.37 0.04 -1.26 -5.04 135.00 129.71 2ckj s PRO 1231Ca 0.67 1.57 0.06 0.00 0.04 0.00 0.00 61.00 63.34 2ckj s PRO 1231Cb -0.22 -3.22 0.06 0.00 0.04 0.00 0.00 34.50 31.15 2ckj s PRO 1231CO 0.61 0.42 0.50 0.00 0.04 0.00 0.00 177.00 178.57 2ckj n ALA 1232N 1.35 0.87 -0.04 8.56 0.00 -1.26 -4.78 120.51 125.21 2ckj n ALA 1232Ca -0.01 -1.85 -0.12 0.00 0.00 0.00 0.00 53.44 51.46 2ckj n ALA 1232Cb 0.47 0.65 -0.06 0.00 0.00 0.00 0.00 19.45 20.51 2ckj n ALA 1232CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2ckj h PHE 1233N 0.40 -1.23 0.00 0.00 -1.00 -1.87 0.26 116.94 113.49 2ckj h PHE 1233Ca -0.27 0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.57 2ckj h PHE 1233Cb 1.08 0.57 0.00 0.00 3.61 0.00 0.00 35.95 41.21 2ckj h PHE 1233CO 0.00 -0.47 0.00 0.41 -1.61 0.00 0.00 178.31 176.64 2ckj n GLY 1234N -1.43 0.00 0.00 -1.45 0.00 -1.26 -3.39 105.19 97.67 2ckj n GLY 1234Ca -0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.05 2ckj n GLY 1234CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ckj n SER 1235N -0.55 1.99 -4.83 1.61 7.64 0.90 -4.92 113.62 115.46 2ckj n SER 1235Ca 0.00 -0.12 -0.33 0.00 1.01 0.00 0.00 58.87 59.44 2ckj n SER 1235Cb 0.00 1.47 -0.03 0.00 -1.01 0.00 0.00 64.21 64.64 2ckj n SER 1235CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2ckj s ILE 1236N -2.73 4.25 0.41 0.44 -5.25 -1.22 -4.88 121.20 112.22 2ckj s ILE 1236Ca -0.03 1.13 -0.23 0.00 -0.99 0.00 0.00 60.65 60.54 2ckj s ILE 1236Cb 0.08 -3.59 -0.13 0.00 2.95 0.00 0.00 42.46 41.77 2ckj s ILE 1236CO 0.50 -0.56 0.51 -0.81 -1.79 0.00 0.00 174.94 172.78 2ckj n PRO 1237N -1.56 0.51 0.14 0.37 -0.04 -1.26 -4.85 135.00 128.31 2ckj n PRO 1237Ca 0.07 0.19 -0.08 0.00 -0.04 0.00 0.00 63.50 63.64 2ckj n PRO 1237Cb 0.54 -1.44 -0.04 0.00 -0.04 0.00 0.00 33.50 32.51 2ckj n PRO 1237CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2ckj h ILE 1238N 0.78 0.12 -3.28 0.52 1.08 -1.50 -3.39 117.51 111.85 2ckj h ILE 1238Ca -0.39 -0.71 -0.61 0.00 -0.39 0.00 0.00 64.86 62.75 2ckj h ILE 1238Cb 1.40 0.20 -0.15 0.00 -3.07 0.00 0.00 36.82 35.20 2ckj h ILE 1238CO 0.51 0.03 -0.54 -1.83 -0.69 0.00 0.00 178.15 175.63 2ckj s GLU 1239N -3.15 4.03 -0.42 2.37 -1.05 -1.12 -4.76 118.70 114.60 2ckj s GLU 1239Ca -0.08 -0.31 0.03 0.00 -0.15 0.00 0.00 54.97 54.46 2ckj s GLU 1239Cb 0.01 -3.27 0.12 0.00 -0.44 0.00 0.00 34.13 30.55 2ckj s GLU 1239CO 0.25 0.29 0.18 0.12 0.95 0.00 0.00 175.26 177.05 2ckj s PHE 1240N 0.35 2.66 -0.33 4.83 5.99 -1.26 -1.32 117.98 128.89 2ckj s PHE 1240Ca 0.04 -2.66 -0.08 0.00 0.00 0.00 0.00 56.93 54.23 2ckj s PHE 1240Cb -0.12 -2.35 0.02 0.00 0.00 0.00 0.00 43.02 40.57 2ckj s PHE 1240CO -0.00 -0.82 0.13 0.50 -0.00 0.00 0.00 175.22 175.03 2ckj s ARG 1241N 0.48 2.97 -0.04 10.12 3.52 -0.26 -3.46 118.95 132.27 2ckj s ARG 1241Ca 0.15 -0.96 0.06 0.00 -0.13 0.00 0.00 55.73 54.86 2ckj s ARG 1241Cb -0.23 -3.53 -0.01 0.00 -1.56 0.00 0.00 34.95 29.62 2ckj s ARG 1241CO -0.05 -0.55 -0.24 0.08 -0.81 0.00 0.00 175.30 173.72 2ckj s VAL 1242N 1.52 1.94 -0.11 7.11 1.01 -1.10 0.38 120.40 131.15 2ckj s VAL 1242Ca 0.02 -1.02 -0.05 0.00 0.00 0.00 0.00 61.98 60.92 2ckj s VAL 1242Cb -0.18 -1.63 0.05 0.00 0.00 0.00 0.00 36.38 34.61 2ckj s VAL 1242CO 0.04 0.54 0.25 -0.94 0.00 0.00 0.00 175.10 175.00 2ckj s SER 1243N -0.29 -0.19 0.03 3.32 1.04 -0.88 -2.01 113.70 114.72 2ckj s SER 1243Ca 0.01 0.54 -0.30 0.00 0.48 0.00 0.00 55.95 56.68 2ckj s SER 1243Cb -0.12 0.45 -0.05 0.00 0.10 0.00 0.00 66.02 66.40 2ckj s SER 1243CO 0.02 -0.18 1.27 -0.76 0.98 0.00 0.00 173.24 174.57 2ckj s LEU 1244N 1.41 4.34 -0.13 2.42 1.43 -1.02 -0.52 118.68 126.61 2ckj s LEU 1244Ca -0.08 2.03 -0.29 0.00 -1.03 0.00 0.00 54.13 54.76 2ckj s LEU 1244Cb -0.11 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 2ckj s LEU 1244CO -0.09 -0.57 1.24 -0.22 0.23 0.00 0.00 176.35 176.94 2ckj s LEU 1245N 1.63 4.21 0.61 1.79 2.96 0.18 -4.71 118.68 125.35 2ckj s LEU 1245Ca 0.60 1.72 -0.13 0.00 -0.22 0.00 0.00 54.13 56.11 2ckj s LEU 1245Cb -0.30 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.81 2ckj s LEU 1245CO 0.27 -0.71 1.03 0.00 -1.32 0.00 0.00 176.35 175.62 2ckj s ARG 1246N 3.12 3.53 -0.42 1.98 1.70 -1.26 -4.64 118.95 122.97 2ckj s ARG 1246Ca 0.55 0.87 -0.37 0.00 -0.47 0.00 0.00 55.73 56.31 2ckj s ARG 1246Cb -0.22 -2.07 0.06 0.00 -0.57 0.00 0.00 34.95 32.14 2ckj s ARG 1246CO 0.17 -0.62 0.62 -0.25 -1.08 0.00 0.00 175.30 174.13 2ckj n ASP 1247N -2.49 -5.44 -2.71 -2.89 8.00 -1.26 -5.01 116.55 104.75 2ckj n ASP 1247Ca 0.07 -0.13 -0.06 0.00 0.71 0.00 0.00 54.79 55.37 2ckj n ASP 1247Cb 0.54 -1.56 0.06 0.00 -0.02 0.00 0.00 41.12 40.13 2ckj n ASP 1247CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ckj s PRO 1249N 0.51 4.63 -0.35 0.00 0.05 -1.26 -4.42 135.00 134.16 2ckj s PRO 1249Ca 0.29 1.76 -0.11 0.00 0.05 0.00 0.00 61.00 62.99 2ckj s PRO 1249Cb 0.20 -3.23 0.01 0.00 0.05 0.00 0.00 34.50 31.53 2ckj s PRO 1249CO -0.16 0.18 0.20 1.21 0.05 0.00 0.00 177.00 178.48 2ckj s ASN 1250N -0.60 5.76 0.00 6.66 2.47 -1.10 -4.96 114.94 123.17 2ckj s ASN 1250Ca 0.46 -0.74 0.29 0.00 0.42 0.00 0.00 52.86 53.28 2ckj s ASN 1250Cb -0.31 -2.05 1.19 0.00 -1.45 0.00 0.00 41.25 38.64 2ckj s ASN 1250CO 0.38 -0.31 1.89 2.29 -3.72 0.00 0.00 177.10 177.63 2ckj n LYS 1251N 5.03 0.05 -0.09 0.43 2.85 -1.26 -3.68 118.16 121.49 2ckj n LYS 1251Ca -0.12 -0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.23 2ckj n LYS 1251Cb 0.48 -1.50 0.35 0.00 -0.65 0.00 0.00 35.03 33.71 2ckj n LYS 1251CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2ckj n LYS 1252N -1.47 1.73 -3.93 -1.58 5.02 -1.26 -4.93 118.16 111.74 2ckj n LYS 1252Ca 0.08 -1.11 -0.10 0.00 -2.02 0.00 0.00 58.31 55.16 2ckj n LYS 1252Cb 0.33 -1.38 -0.11 0.00 -0.02 0.00 0.00 35.03 33.84 2ckj n LYS 1252CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ckj s ALA 1253N -1.76 -0.00 -0.07 7.82 0.00 -1.24 -5.07 121.76 121.43 2ckj s ALA 1253Ca 0.31 -0.35 -0.19 0.00 0.00 0.00 0.00 51.96 51.74 2ckj s ALA 1253Cb 0.17 0.09 -0.09 0.00 0.00 0.00 0.00 23.12 23.29 2ckj s ALA 1253CO 0.25 -0.13 0.55 1.51 0.00 0.00 0.00 175.76 177.94 2ckj n ILE 1254N 1.93 0.00 -3.45 0.00 3.06 -1.26 -0.98 119.36 118.65 2ckj n ILE 1254Ca -0.21 0.00 -0.27 0.00 -2.50 0.00 0.00 62.75 59.77 2ckj n ILE 1254Cb 0.56 -0.07 -0.05 0.00 0.54 0.00 0.00 39.64 40.62 2ckj n ILE 1254CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 2ckj n TYR 1255N 1.01 -0.74 -2.29 9.51 4.02 -1.26 -2.18 117.16 125.23 2ckj n TYR 1255Ca 0.10 0.44 -0.12 0.00 -0.01 0.00 0.00 57.90 58.31 2ckj n TYR 1255Cb 0.02 -1.21 -0.00 0.00 -0.02 0.00 0.00 39.34 38.12 2ckj n TYR 1255CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2ckj n ALA 1256N -2.79 -0.37 -2.71 -0.72 0.00 -0.16 -4.84 120.51 108.92 2ckj n ALA 1256Ca 0.06 0.10 -0.28 0.00 0.00 0.00 0.00 53.44 53.33 2ckj n ALA 1256Cb 0.29 -1.59 -0.07 0.00 0.00 0.00 0.00 19.45 18.08 2ckj n ALA 1256CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2ckj s SER 1257N -2.53 5.10 0.22 0.00 1.04 -0.93 -1.05 113.70 115.56 2ckj s SER 1257Ca 0.03 -0.23 0.06 0.00 0.48 0.00 0.00 55.95 56.29 2ckj s SER 1257Cb -0.01 -1.22 -0.03 0.00 0.10 0.00 0.00 66.02 64.86 2ckj s SER 1257CO 0.03 0.12 0.25 -0.54 0.98 0.00 0.00 173.24 174.08 2ckj s LYS 1258N -2.72 3.14 0.68 4.02 1.02 0.54 -4.67 119.74 121.75 2ckj s LYS 1258Ca 0.28 -0.89 -0.14 0.00 0.02 0.00 0.00 55.97 55.24 2ckj s LYS 1258Cb -0.11 -2.72 0.01 0.00 -0.52 0.00 0.00 37.83 34.50 2ckj s LYS 1258CO 0.20 0.43 1.12 0.00 -0.92 0.00 0.00 175.35 176.18 2ckj s ALA 1259N -1.99 2.38 0.00 5.17 0.00 -1.26 -4.80 121.76 121.26 2ckj s ALA 1259Ca 0.33 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.85 2ckj s ALA 1259Cb -0.09 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2ckj s ALA 1259CO 0.26 -1.43 0.00 1.55 0.00 0.00 0.00 175.76 176.14 2ckj n VAL 1260N -2.60 0.00 -0.34 0.00 3.14 -1.26 -4.91 118.33 112.36 2ckj n VAL 1260Ca 0.11 -0.00 0.13 0.00 -2.96 0.00 0.00 64.34 61.61 2ckj n VAL 1260Cb 0.52 0.07 0.26 0.00 -1.06 0.00 0.00 33.84 33.63 2ckj n VAL 1260CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 2ckj h GLY 1261N 0.00 1.16 0.00 7.55 0.00 -1.92 -3.38 103.07 106.47 2ckj h GLY 1261Ca 0.00 0.17 -0.13 0.00 0.00 0.00 0.00 47.33 47.37 2ckj h GLY 1261CO 0.00 -0.48 -1.49 1.18 0.00 0.00 0.00 176.54 175.75 2ckj n GLU 1262N -5.49 0.21 -0.29 4.80 1.02 -1.26 -4.76 120.64 114.87 2ckj n GLU 1262Ca 0.22 0.06 0.03 0.00 -0.02 0.00 0.00 57.16 57.44 2ckj n GLU 1262Cb 0.71 -1.07 0.11 0.00 -0.02 0.00 0.00 31.44 31.16 2ckj n GLU 1262CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2ckj h PRO 1263N -0.09 0.00 0.00 3.49 0.11 -1.93 0.15 132.00 133.73 2ckj h PRO 1263Ca -0.20 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 2ckj h PRO 1263Cb 1.27 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2ckj h PRO 1263CO -0.06 0.00 0.00 -0.35 -0.21 0.00 0.00 178.00 177.38 2ckj n PRO 1264N -5.53 0.04 -0.21 1.05 -0.04 -1.26 -3.56 135.00 125.49 2ckj n PRO 1264Ca 0.12 0.18 -0.07 0.00 -0.04 0.00 0.00 63.50 63.69 2ckj n PRO 1264Cb 0.42 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.45 2ckj n PRO 1264CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2ckj h LEU 1265N 0.00 0.99 -0.22 1.53 6.46 -0.88 -2.45 115.31 120.75 2ckj h LEU 1265Ca 0.00 -0.24 0.06 0.00 -0.12 0.00 0.00 57.88 57.58 2ckj h LEU 1265Cb 0.29 -0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 39.89 2ckj h LEU 1265CO 0.00 1.00 -0.18 0.15 -0.62 0.00 0.00 178.44 178.78 2ckj h PHE 1266N 0.97 -0.47 0.00 1.25 -0.00 -1.75 -3.10 116.94 113.83 2ckj h PHE 1266Ca 0.19 0.03 0.00 0.00 -0.00 0.00 0.00 57.97 58.19 2ckj h PHE 1266Cb 0.44 0.24 0.00 0.00 -0.00 0.00 0.00 35.95 36.63 2ckj h PHE 1266CO 0.03 -0.26 0.65 1.28 -0.00 0.00 0.00 178.31 180.01 2ckj n LEU 1267N -5.34 0.00 -0.10 0.59 4.77 -0.92 -0.83 117.00 115.17 2ckj n LEU 1267Ca -0.01 0.28 0.03 0.00 -0.03 0.00 0.00 56.01 56.27 2ckj n LEU 1267Cb 0.25 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 41.69 2ckj n LEU 1267CO 0.18 -0.28 1.20 0.00 -1.33 0.00 0.00 177.39 177.16 2ckj h ALA 1268N 0.00 1.61 0.00 -1.18 0.00 -1.75 -1.77 119.26 116.17 2ckj h ALA 1268Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ckj h ALA 1268Cb 1.31 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2ckj h ALA 1268CO 0.00 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.60 2ckj n ALA 1269N -2.45 0.00 -0.36 0.00 0.00 -0.01 0.10 120.51 117.79 2ckj n ALA 1269Ca 0.06 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.77 2ckj n ALA 1269Cb 0.06 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.07 2ckj n ALA 1269CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2ckj h SER 1270N 0.00 0.37 -0.19 0.00 4.64 -1.57 -1.88 113.55 114.93 2ckj h SER 1270Ca 0.00 0.10 -0.18 0.00 -0.47 0.00 0.00 61.79 61.25 2ckj h SER 1270Cb 0.00 0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.15 2ckj h SER 1270CO 0.00 -0.01 -0.57 0.40 -0.87 0.00 0.00 176.83 175.77 2ckj h ILE 1271N 0.28 1.31 -0.91 0.95 2.04 0.45 -2.50 117.51 119.13 2ckj h ILE 1271Ca 0.67 -1.80 0.02 0.00 1.00 0.00 0.00 64.86 64.75 2ckj h ILE 1271Cb 1.88 1.91 -0.05 0.00 -0.74 0.00 0.00 36.82 39.82 2ckj h ILE 1271CO -0.35 0.57 0.60 0.15 0.00 0.00 0.00 178.15 179.12 2ckj h PHE 1272N 0.43 1.13 0.00 1.37 3.57 -1.38 -1.51 116.94 120.55 2ckj h PHE 1272Ca -0.02 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.38 2ckj h PHE 1272Cb 1.20 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 2ckj h PHE 1272CO 0.09 0.69 -0.83 0.74 -2.23 0.00 0.00 178.31 176.77 2ckj h PHE 1273N 1.20 0.00 0.00 0.41 -1.00 -1.37 -1.86 116.94 114.32 2ckj h PHE 1273Ca 0.34 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 61.06 2ckj h PHE 1273Cb -0.09 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.46 2ckj h PHE 1273CO -0.01 0.57 -0.33 0.00 -1.61 0.00 0.00 178.31 176.93 2ckj h ALA 1274N 1.43 1.17 0.05 2.45 0.00 -1.23 -1.21 119.26 121.93 2ckj h ALA 1274Ca -0.05 -0.30 -0.28 0.00 0.00 0.00 0.00 54.91 54.28 2ckj h ALA 1274Cb 1.48 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 19.24 2ckj h ALA 1274CO 0.06 0.41 -1.13 0.82 0.00 0.00 0.00 179.25 179.42 2ckj h ILE 1275N 0.00 1.30 0.00 0.00 2.04 -1.09 -2.73 117.51 117.03 2ckj h ILE 1275Ca -0.00 -2.39 -0.04 0.00 1.00 0.00 0.00 64.86 63.43 2ckj h ILE 1275Cb 0.71 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 39.32 2ckj h ILE 1275CO 0.04 0.73 -0.17 0.50 0.00 0.00 0.00 178.15 179.25 2ckj h LYS 1276N 0.32 0.00 0.30 2.37 3.64 -0.41 -2.55 116.57 120.24 2ckj h LYS 1276Ca -0.15 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 2ckj h LYS 1276Cb 1.79 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.61 2ckj h LYS 1276CO 0.21 0.17 -0.15 0.22 -2.27 0.00 0.00 179.45 177.64 2ckj h ASP 1277N 0.00 -0.35 -0.56 4.20 3.58 -1.19 -1.69 116.42 120.42 2ckj h ASP 1277Ca -0.00 -0.18 -0.08 0.00 0.42 0.00 0.00 57.03 57.19 2ckj h ASP 1277Cb 0.34 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 2ckj h ASP 1277CO 0.02 0.03 0.05 0.00 -2.88 0.00 0.00 179.24 176.47 2ckj h ALA 1278N -0.24 0.98 -0.22 -0.78 0.00 -1.42 -2.25 119.26 115.33 2ckj h ALA 1278Ca -0.04 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.61 2ckj h ALA 1278Cb 0.51 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2ckj h ALA 1278CO 0.07 0.63 -0.13 -0.89 0.00 0.00 0.00 179.25 178.94 2ckj n ILE 1279N -4.21 -0.15 0.00 0.00 2.08 -0.97 -1.54 119.36 114.58 2ckj n ILE 1279Ca 0.04 1.62 0.00 0.00 0.56 0.00 0.00 62.75 64.97 2ckj n ILE 1279Cb 0.30 -2.11 0.00 0.00 -0.75 0.00 0.00 39.64 37.08 2ckj n ILE 1279CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2ckj n ARG 1280N -3.46 0.00 0.15 0.38 5.12 -0.64 0.41 116.66 118.62 2ckj n ARG 1280Ca 0.00 0.10 0.06 0.00 -1.93 0.00 0.00 57.85 56.09 2ckj n ARG 1280Cb 0.06 -0.32 0.10 0.00 -1.16 0.00 0.00 32.46 31.13 2ckj n ARG 1280CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2ckj n ALA 1281N -1.08 0.23 0.01 7.54 0.00 -1.11 0.56 120.51 126.66 2ckj n ALA 1281Ca 0.00 0.08 -0.22 0.00 0.00 0.00 0.00 53.44 53.30 2ckj n ALA 1281Cb 0.00 -0.14 -0.14 0.00 0.00 0.00 0.00 19.45 19.17 2ckj n ALA 1281CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckj h ALA 1282N 0.12 0.20 -0.48 0.00 0.00 0.10 -3.34 119.26 115.87 2ckj h ALA 1282Ca 0.11 -1.13 0.08 0.00 0.00 0.00 0.00 54.91 53.97 2ckj h ALA 1282Cb 1.86 0.51 -0.06 0.00 0.00 0.00 0.00 17.79 20.09 2ckj h ALA 1282CO -0.00 0.90 0.11 0.00 0.00 0.00 0.00 179.25 180.26 2ckj h ARG 1283N -0.22 0.24 0.00 0.00 3.08 0.21 -2.62 114.38 115.07 2ckj h ARG 1283Ca -0.32 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.71 2ckj h ARG 1283Cb 1.83 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.82 2ckj h ARG 1283CO 0.07 0.16 0.00 0.00 -1.07 0.00 0.00 179.97 179.13 2ckj h ALA 1284N 1.36 1.00 0.21 0.04 0.00 -1.62 -1.44 119.26 118.81 2ckj h ALA 1284Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2ckj h ALA 1284Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2ckj h ALA 1284CO -0.30 0.00 -0.10 0.37 0.00 0.00 0.00 179.25 179.22 2ckj h GLN 1285N 0.00 -0.27 -1.03 0.00 4.15 -1.58 -3.41 115.11 112.97 2ckj h GLN 1285Ca 0.00 0.02 -0.41 0.00 0.77 0.00 0.00 58.65 59.03 2ckj h GLN 1285Cb 0.35 0.06 -0.23 0.00 0.21 0.00 0.00 27.48 27.87 2ckj h GLN 1285CO 0.00 -0.18 0.53 0.72 -1.93 0.00 0.00 178.83 177.96 2ckj n HIS 1286N -4.32 2.37 -0.17 3.99 8.25 -1.16 -3.75 115.22 120.43 2ckj n HIS 1286Ca -0.04 -1.66 0.02 0.00 -0.26 0.00 0.00 57.72 55.78 2ckj n HIS 1286Cb 0.11 -0.84 0.03 0.00 1.12 0.00 0.00 29.99 30.41 2ckj n HIS 1286CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2ckj n THR 1287N -0.71 1.14 0.00 1.59 5.66 -0.55 -4.38 114.28 117.03 2ckj n THR 1287Ca 0.46 -1.19 0.00 0.00 -3.05 0.00 0.00 64.05 60.27 2ckj n THR 1287Cb 1.30 0.39 0.00 0.00 -1.55 0.00 0.00 70.33 70.47 2ckj n THR 1287CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ckj n GLY 1288N -0.60 0.40 0.00 1.09 0.00 -1.25 -4.56 105.19 100.27 2ckj n GLY 1288Ca 0.03 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.66 2ckj n GLY 1288CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ckj n ASN 1289N 6.31 0.00 -2.82 1.61 6.94 -1.26 -4.64 115.26 121.40 2ckj n ASN 1289Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 54.58 54.55 2ckj n ASN 1289Cb 0.00 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 2ckj n ASN 1289CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2ckj n ASN 1290N 0.00 -6.59 0.00 0.53 3.02 -1.26 -4.76 115.26 106.20 2ckj n ASN 1290Ca 0.00 1.19 0.00 0.00 -0.03 0.00 0.00 54.58 55.74 2ckj n ASN 1290Cb 0.00 -4.35 0.00 0.00 -0.61 0.00 0.00 39.78 34.82 2ckj n ASN 1290CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2ckj n VAL 1291N 1.08 0.00 -3.75 2.41 0.24 -1.26 -4.07 118.33 112.98 2ckj n VAL 1291Ca -0.06 0.20 -0.34 0.00 -2.04 0.00 0.00 64.34 62.09 2ckj n VAL 1291Cb 0.20 -0.51 -0.09 0.00 -1.47 0.00 0.00 33.84 31.97 2ckj n VAL 1291CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2ckj s LYS 1292N 0.00 2.78 0.42 7.34 1.02 -1.26 -5.13 119.74 124.92 2ckj s LYS 1292Ca 0.00 -3.02 -0.23 0.00 0.02 0.00 0.00 55.97 52.74 2ckj s LYS 1292Cb 0.00 -3.72 -0.11 0.00 -0.52 0.00 0.00 37.83 33.48 2ckj s LYS 1292CO 0.00 -1.23 0.83 0.39 -0.92 0.00 0.00 175.35 174.42 2ckj n GLU 1293N 2.65 1.01 -3.87 1.68 -0.58 -1.26 -4.94 120.64 115.33 2ckj n GLU 1293Ca 0.16 0.36 -0.30 0.00 -0.42 0.00 0.00 57.16 56.96 2ckj n GLU 1293Cb 0.36 -1.83 -0.14 0.00 -0.57 0.00 0.00 31.44 29.26 2ckj n GLU 1293CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ckj s LEU 1294N 0.31 3.66 -0.04 -4.62 1.43 -1.26 -4.97 118.68 113.19 2ckj s LEU 1294Ca 0.64 -2.42 0.02 0.00 -1.03 0.00 0.00 54.13 51.34 2ckj s LEU 1294Cb -0.58 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 2ckj s LEU 1294CO 0.57 -0.32 -0.08 0.72 0.23 0.00 0.00 176.35 177.47 2ckj s PHE 1295N 0.57 2.90 -0.45 0.29 -0.12 -1.26 -5.07 117.98 114.83 2ckj s PHE 1295Ca 0.14 -0.01 -0.27 0.00 -0.05 0.00 0.00 56.93 56.74 2ckj s PHE 1295Cb -0.22 -1.67 -0.04 0.00 -0.63 0.00 0.00 43.02 40.46 2ckj s PHE 1295CO -0.07 0.33 2.05 0.50 -0.05 0.00 0.00 175.22 177.99 2ckj s ARG 1296N -0.99 2.72 -0.05 1.99 6.06 -1.26 -5.01 118.95 122.41 2ckj s ARG 1296Ca 0.14 1.24 0.06 0.00 -2.50 0.00 0.00 55.73 54.66 2ckj s ARG 1296Cb -0.11 -4.40 -0.01 0.00 0.06 0.00 0.00 34.95 30.49 2ckj s ARG 1296CO 0.03 -2.59 -0.23 -1.17 -2.50 0.00 0.00 175.30 168.84 2ckj s LEU 1297N 9.34 2.19 0.07 -0.88 2.96 -1.26 -5.11 118.68 125.99 2ckj s LEU 1297Ca 0.84 -0.45 0.04 0.00 -0.22 0.00 0.00 54.13 54.34 2ckj s LEU 1297Cb -0.19 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 2ckj s LEU 1297CO 0.27 0.27 -0.01 -1.81 -1.32 0.00 0.00 176.35 173.75 2ckj s ASP 1298N -0.28 4.97 -0.34 3.68 1.01 -1.26 -4.85 116.67 119.60 2ckj s ASP 1298Ca 0.00 -0.15 -0.19 0.00 0.71 0.00 0.00 52.55 52.92 2ckj s ASP 1298Cb -0.13 -1.19 -0.01 0.00 1.01 0.00 0.00 42.92 42.61 2ckj s ASP 1298CO 0.03 0.20 0.57 -0.55 0.21 0.00 0.00 175.17 175.63 2ckj s SER 1299N -2.08 6.39 -0.01 0.27 0.15 -0.99 -3.98 113.70 113.46 2ckj s SER 1299Ca 0.23 0.15 0.06 0.00 0.70 0.00 0.00 55.95 57.10 2ckj s SER 1299Cb -0.12 -2.30 -0.02 0.00 -1.71 0.00 0.00 66.02 61.88 2ckj s SER 1299CO 0.15 -0.49 -0.20 -2.84 1.20 0.00 0.00 173.24 171.06 2ckj s PRO 1300N 2.51 1.60 -1.33 5.44 0.02 -1.26 0.37 135.00 142.35 2ckj s PRO 1300Ca 0.22 -0.75 -0.09 0.00 0.02 0.00 0.00 61.00 60.39 2ckj s PRO 1300Cb -0.15 -1.57 0.13 0.00 0.02 0.00 0.00 34.50 32.93 2ckj s PRO 1300CO 0.13 0.43 2.09 0.00 -0.33 0.00 0.00 177.00 179.32 2ckj n ALA 1301N 2.47 5.84 -1.33 -1.55 0.00 -0.18 -4.87 120.51 120.90 2ckj n ALA 1301Ca -0.15 -4.18 -0.34 0.00 0.00 0.00 0.00 53.44 48.77 2ckj n ALA 1301Cb 0.53 -3.01 0.09 0.00 0.00 0.00 0.00 19.45 17.06 2ckj n ALA 1301CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2ckj s THR 1302N 0.41 2.40 0.47 0.00 -4.23 -1.24 -4.69 115.64 108.76 2ckj s THR 1302Ca 0.45 0.19 0.36 0.00 -1.18 0.00 0.00 61.69 61.51 2ckj s THR 1302Cb 0.13 -2.72 0.55 0.00 1.34 0.00 0.00 72.50 71.80 2ckj s THR 1302CO -0.03 -0.11 1.60 -0.65 -0.54 0.00 0.00 174.62 174.89 2ckj h PRO 1303N -0.39 0.03 0.16 3.99 0.11 -1.86 -0.65 132.00 133.40 2ckj h PRO 1303Ca -0.47 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2ckj h PRO 1303Cb 1.29 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2ckj h PRO 1303CO 0.50 0.02 -0.08 1.49 -0.21 0.00 0.00 178.00 179.72 2ckj h GLU 1304N 0.03 -0.21 -0.31 1.05 4.81 -1.90 -2.67 114.58 115.39 2ckj h GLU 1304Ca 0.86 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 60.20 2ckj h GLU 1304Cb 2.93 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 32.35 2ckj h GLU 1304CO -0.34 -0.14 0.46 0.87 -0.73 0.00 0.00 179.01 179.13 2ckj h LYS 1305N -0.23 0.00 0.12 1.92 1.57 -1.67 -1.78 116.57 116.51 2ckj h LYS 1305Ca -0.02 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.54 2ckj h LYS 1305Cb 0.17 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.48 2ckj h LYS 1305CO 0.04 0.00 -1.05 0.82 -0.57 0.00 0.00 179.45 178.69 2ckj h ILE 1306N 0.00 1.30 -0.18 1.86 2.04 -1.15 -3.23 117.51 118.15 2ckj h ILE 1306Ca 0.15 -2.46 -0.12 0.00 1.00 0.00 0.00 64.86 63.43 2ckj h ILE 1306Cb 1.07 2.97 0.00 0.00 -0.74 0.00 0.00 36.82 40.12 2ckj h ILE 1306CO -0.00 0.69 -0.36 -0.09 0.00 0.00 0.00 178.15 178.39 2ckj h ARG 1307N -0.39 0.56 -0.89 2.37 9.65 -1.04 -2.40 114.38 122.25 2ckj h ARG 1307Ca -0.21 -0.36 0.21 0.00 -1.10 0.00 0.00 59.98 58.51 2ckj h ARG 1307Cb 1.65 0.04 -0.12 0.00 -1.39 0.00 0.00 29.97 30.16 2ckj h ARG 1307CO 0.09 0.97 0.40 -0.91 2.80 0.00 0.00 179.97 183.33 2ckj h ASN 1308N 0.21 0.36 -0.01 -3.80 2.35 -1.52 -1.43 115.58 111.75 2ckj h ASN 1308Ca 0.01 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2ckj h ASN 1308Cb 0.95 0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.43 2ckj h ASN 1308CO 0.08 0.04 -0.00 0.00 -1.65 0.00 0.00 177.43 175.90 2ckj n ALA 1309N -2.48 2.61 -2.09 -0.83 0.00 -0.93 -4.46 120.51 112.32 2ckj n ALA 1309Ca 0.21 -0.37 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 2ckj n ALA 1309Cb 0.61 -1.27 -0.00 0.00 0.00 0.00 0.00 19.45 18.79 2ckj n ALA 1309CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ckj s VAL 1311N -0.01 2.65 0.00 0.00 1.01 -1.26 -4.93 120.40 117.86 2ckj s VAL 1311Ca 0.48 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.95 2ckj s VAL 1311Cb 0.14 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2ckj s VAL 1311CO -0.05 0.05 0.00 -0.90 0.00 0.00 0.00 175.10 174.21 2ckj n ASP 1312N 3.43 0.00 -0.40 3.32 5.68 -1.26 -4.52 116.55 122.81 2ckj n ASP 1312Ca 0.11 -0.40 0.32 0.00 -0.50 0.00 0.00 54.79 54.33 2ckj n ASP 1312Cb 0.39 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 40.98 2ckj n ASP 1312CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2ckj h LYS 1313N 0.00 0.18 0.00 0.11 1.57 -1.94 -3.36 116.57 113.13 2ckj h LYS 1313Ca 0.00 -0.01 -0.26 0.00 -1.87 0.00 0.00 60.65 58.51 2ckj h LYS 1313Cb 0.00 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 2ckj h LYS 1313CO 0.00 0.12 -1.82 1.19 -0.57 0.00 0.00 179.45 178.37 2ckj n PHE 1314N -4.63 0.09 -0.31 -1.35 0.99 -1.26 -3.48 117.46 107.51 2ckj n PHE 1314Ca 0.33 0.04 0.26 0.00 -0.00 0.00 0.00 57.45 58.08 2ckj n PHE 1314Cb 1.24 -0.81 0.44 0.00 -1.00 0.00 0.00 39.48 39.35 2ckj n PHE 1314CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39 2ckj n THR 1315N -4.35 -0.15 0.09 4.37 5.66 -1.26 -0.93 114.28 117.70 2ckj n THR 1315Ca -0.36 1.15 -0.12 0.00 -3.05 0.00 0.00 64.05 61.67 2ckj n THR 1315Cb 0.71 -1.89 -0.09 0.00 -1.55 0.00 0.00 70.33 67.51 2ckj n THR 1315CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 2ckj h THR 1316N 0.00 1.53 0.00 1.09 2.02 -1.71 -2.18 112.91 113.66 2ckj h THR 1316Ca 0.57 -2.97 -0.01 0.00 0.77 0.00 0.00 66.41 64.78 2ckj h THR 1316Cb 1.86 2.75 -0.00 0.00 -1.74 0.00 0.00 68.15 71.02 2ckj h THR 1316CO -0.29 0.86 -0.03 -0.07 0.37 0.00 0.00 175.52 176.36 2ckj h LEU 1317N 0.08 0.00 -2.33 2.58 3.38 -1.06 -2.99 115.31 114.97 2ckj h LEU 1317Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2ckj h LEU 1317Cb 1.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.52 2ckj h LEU 1317CO 0.17 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.73 2ckj n VAL 1319N 1.39 0.00 0.00 0.00 0.24 -0.83 -4.96 118.33 114.16 2ckj n VAL 1319Ca 0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.51 2ckj n VAL 1319Cb 0.56 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.93 2ckj n VAL 1319CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2ckj n PRO 1328N 0.00 0.00 -0.03 7.34 -0.04 -1.26 -5.11 135.00 135.90 2ckj n PRO 1328Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 2ckj n PRO 1328Cb 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.40 2ckj n PRO 1328CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 2ckj n TRP 1329N 0.50 0.00 -4.29 0.54 -0.00 -1.26 -4.76 117.44 108.17 2ckj n TRP 1329Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.50 57.34 2ckj n TRP 1329Cb 0.00 -0.32 -0.10 0.00 -0.00 0.00 0.00 31.31 30.89 2ckj n TRP 1329CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 2ckj s SER 1330N -3.65 1.82 -0.11 5.87 1.04 -1.26 -3.73 113.70 113.68 2ckj s SER 1330Ca -0.04 -1.12 -0.26 0.00 0.48 0.00 0.00 55.95 55.02 2ckj s SER 1330Cb 0.03 -0.00 0.06 0.00 0.10 0.00 0.00 66.02 66.21 2ckj s SER 1330CO 0.32 -0.42 0.62 0.54 0.98 0.00 0.00 173.24 175.28 2ckj s VAL 1331N -3.37 0.01 0.00 5.02 0.11 -1.19 -4.79 120.40 116.18 2ckj s VAL 1331Ca 0.23 -0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 2ckj s VAL 1331Cb 0.04 -0.91 0.00 0.00 -1.53 0.00 0.00 36.38 33.98 2ckj s VAL 1331CO 0.05 -0.03 0.00 -2.11 -3.33 0.00 0.00 175.10 169.67