#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khj n LYS 4 N 0.00 0.10 -2.21 1.09 5.02 -1.26 -4.89 118.16 116.01 3khj n LYS 4 Ca 0.00 -0.03 -0.43 0.00 -2.02 0.00 0.00 58.31 55.83 3khj n LYS 4 Cb 0.00 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.48 3khj n LYS 4 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3khj s ASN 5 N -3.24 6.17 0.00 4.39 3.84 -1.26 -4.88 114.94 119.96 3khj s ASN 5 Ca 0.06 1.02 0.21 0.00 0.21 0.00 0.00 52.86 54.36 3khj s ASN 5 Cb 0.16 -2.53 0.53 0.00 -0.55 0.00 0.00 41.25 38.86 3khj s ASN 5 CO 0.87 -1.53 1.45 2.30 -2.79 0.00 0.00 177.10 177.40 3khj n ILE 6 N 7.19 0.64 0.00 -5.21 -5.35 -1.26 -5.05 119.36 110.33 3khj n ILE 6 Ca 0.19 -0.75 0.00 0.00 -0.27 0.00 0.00 62.75 61.92 3khj n ILE 6 Cb 0.47 0.61 0.00 0.00 -1.74 0.00 0.00 39.64 38.99 3khj n ILE 6 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3khj n GLY 7 N 1.46 0.89 3.51 3.28 0.00 -1.26 -5.02 105.19 108.05 3khj n GLY 7 Ca 0.20 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 3khj n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khj s LYS 8 N -0.98 3.25 0.58 1.61 3.01 -1.26 -5.07 119.74 120.90 3khj s LYS 8 Ca 0.00 -0.58 -0.17 0.00 -1.01 0.00 0.00 55.97 54.21 3khj s LYS 8 Cb 0.00 -3.92 -0.04 0.00 -1.01 0.00 0.00 37.83 32.86 3khj s LYS 8 CO 0.00 -0.81 1.08 0.20 0.51 0.00 0.00 175.35 176.34 3khj s GLY 9 N 1.82 2.29 -0.05 -3.33 0.00 -1.26 -5.05 107.32 101.74 3khj s GLY 9 Ca 0.14 0.55 0.02 0.00 0.00 0.00 0.00 44.72 45.43 3khj s GLY 9 CO 0.14 0.88 -0.08 1.08 0.00 0.00 0.00 173.10 175.13 3khj s LEU 10 N -4.31 1.46 0.55 0.66 1.43 -1.26 -4.96 118.68 112.25 3khj s LEU 10 Ca 0.67 -0.20 0.09 0.00 -1.03 0.00 0.00 54.13 53.66 3khj s LEU 10 Cb -0.19 -0.60 0.07 0.00 0.03 0.00 0.00 46.19 45.51 3khj s LEU 10 CO 0.34 -0.02 0.76 0.28 0.23 0.00 0.00 176.35 177.93 3khj s THR 11 N 0.81 2.32 0.32 5.49 -1.32 -1.26 -2.36 115.64 119.64 3khj s THR 11 Ca -0.13 -0.98 0.04 0.00 -1.21 0.00 0.00 61.69 59.41 3khj s THR 11 Cb -0.15 -2.35 0.29 0.00 -1.51 0.00 0.00 72.50 68.79 3khj s THR 11 CO 0.02 0.00 1.90 -0.26 -2.21 0.00 0.00 174.62 174.07 3khj h PHE 12 N 0.24 0.95 0.00 9.09 -1.00 -1.92 -1.80 116.94 122.49 3khj h PHE 12 Ca -0.32 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.48 3khj h PHE 12 Cb 1.29 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 40.54 3khj h PHE 12 CO 0.40 0.45 0.00 0.93 -1.61 0.00 0.00 178.31 178.48 3khj h GLU 13 N 0.89 0.00 -0.00 1.51 3.07 -1.96 -2.83 114.58 115.26 3khj h GLU 13 Ca 0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 3khj h GLU 13 Cb 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 3khj h GLU 13 CO -0.16 0.00 -0.19 -0.25 -1.40 0.00 0.00 179.01 177.01 3khj n ASP 14 N -2.54 0.25 -3.93 1.42 8.00 -0.68 -4.84 116.55 114.23 3khj n ASP 14 Ca 0.02 0.05 -0.17 0.00 0.71 0.00 0.00 54.79 55.40 3khj n ASP 14 Cb 0.28 -0.17 -0.15 0.00 -0.02 0.00 0.00 41.12 41.06 3khj n ASP 14 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3khj s ILE 15 N -2.90 0.41 -0.04 0.53 1.01 -1.07 0.03 121.20 119.17 3khj s ILE 15 Ca 0.16 -0.18 0.05 0.00 0.00 0.00 0.00 60.65 60.68 3khj s ILE 15 Cb 0.19 -0.38 -0.01 0.00 0.01 0.00 0.00 42.46 42.27 3khj s ILE 15 CO 0.58 0.14 -0.19 -0.76 0.00 0.00 0.00 174.94 174.71 3khj s LEU 16 N 0.15 1.96 0.10 2.97 1.02 -0.74 -4.96 118.68 119.19 3khj s LEU 16 Ca -0.01 -0.38 -0.30 0.00 0.02 0.00 0.00 54.13 53.46 3khj s LEU 16 Cb -0.05 -1.03 -0.06 0.00 0.02 0.00 0.00 46.19 45.06 3khj s LEU 16 CO -0.00 0.18 1.11 -0.76 0.02 0.00 0.00 176.35 176.90 3khj s LEU 17 N -0.07 4.43 -0.09 1.79 1.43 -1.26 -1.32 118.68 123.59 3khj s LEU 17 Ca -0.02 1.98 -0.27 0.00 -1.03 0.00 0.00 54.13 54.79 3khj s LEU 17 Cb -0.11 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 3khj s LEU 17 CO 0.02 -0.32 0.87 -0.69 0.23 0.00 0.00 176.35 176.47 3khj s VAL 18 N 0.46 4.90 0.40 -1.59 1.01 0.48 -4.93 120.40 121.12 3khj s VAL 18 Ca 0.53 1.78 -0.26 0.00 0.00 0.00 0.00 61.98 64.03 3khj s VAL 18 Cb -0.28 -4.20 -0.09 0.00 0.00 0.00 0.00 36.38 31.81 3khj s VAL 18 CO 0.31 0.11 1.33 -2.84 0.00 0.00 0.00 175.10 174.01 3khj s PRO 19 N 1.52 4.00 0.46 2.72 0.02 -1.26 -4.59 135.00 137.86 3khj s PRO 19 Ca 0.44 2.23 0.01 0.00 0.02 0.00 0.00 61.00 63.69 3khj s PRO 19 Cb -0.18 -2.80 0.01 0.00 0.02 0.00 0.00 34.50 31.55 3khj s PRO 19 CO 0.19 -0.49 0.09 0.09 -0.33 0.00 0.00 177.00 176.55 3khj n ASN 20 N 0.21 3.06 -4.74 2.53 5.03 -0.41 -4.96 115.26 115.97 3khj n ASN 20 Ca 0.03 -2.88 -0.41 0.00 0.87 0.00 0.00 54.58 52.19 3khj n ASN 20 Cb 0.43 0.22 -0.02 0.00 -1.02 0.00 0.00 39.78 39.38 3khj n ASN 20 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 3khj s TYR 21 N -2.55 3.05 -0.06 3.10 5.04 -1.26 -4.52 117.35 120.15 3khj s TYR 21 Ca 0.07 1.01 0.03 0.00 -2.44 0.00 0.00 57.07 55.74 3khj s TYR 21 Cb -0.01 -3.81 0.01 0.00 0.35 0.00 0.00 41.96 38.51 3khj s TYR 21 CO 0.05 -2.65 -0.13 0.45 -1.34 0.00 0.00 175.55 171.92 3khj s SER 22 N 0.45 1.83 -0.03 4.32 0.15 -1.26 -3.99 113.70 115.18 3khj s SER 22 Ca 0.60 -0.30 0.05 0.00 0.70 0.00 0.00 55.95 57.00 3khj s SER 22 Cb -0.41 -0.72 -0.08 0.00 -1.71 0.00 0.00 66.02 63.10 3khj s SER 22 CO 0.41 0.07 0.08 -0.62 1.20 0.00 0.00 173.24 174.39 3khj n GLU 23 N 3.56 1.37 -3.05 5.44 1.02 -1.26 -5.01 120.64 122.71 3khj n GLU 23 Ca -0.21 -0.03 -0.40 0.00 -0.02 0.00 0.00 57.16 56.49 3khj n GLU 23 Cb 0.52 -1.13 -0.05 0.00 -0.02 0.00 0.00 31.44 30.76 3khj n GLU 23 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3khj s VAL 24 N -2.28 4.98 0.52 2.62 -7.23 -1.26 -5.07 120.40 112.68 3khj s VAL 24 Ca -0.02 1.32 -0.18 0.00 -1.81 0.00 0.00 61.98 61.29 3khj s VAL 24 Cb 0.03 -4.00 -0.07 0.00 0.56 0.00 0.00 36.38 32.89 3khj s VAL 24 CO 0.23 0.09 1.02 -0.76 -0.31 0.00 0.00 175.10 175.37 3khj s LEU 25 N 1.95 3.71 0.40 1.32 1.02 -1.26 -4.63 118.68 121.19 3khj s LEU 25 Ca 0.32 1.80 0.15 0.00 0.02 0.00 0.00 54.13 56.41 3khj s LEU 25 Cb -0.16 -4.54 1.00 0.00 0.02 0.00 0.00 46.19 42.51 3khj s LEU 25 CO 0.11 -0.82 1.87 1.55 0.02 0.00 0.00 176.35 179.09 3khj h PRO 26 N 1.13 0.47 -0.01 1.29 0.13 -1.93 -0.25 132.00 132.83 3khj h PRO 26 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3khj h PRO 26 Cb 1.21 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3khj h PRO 26 CO 0.59 0.31 0.00 2.89 -0.23 0.00 0.00 178.00 181.57 3khj n ARG 27 N -4.52 1.04 0.00 0.86 -4.01 -1.26 -2.99 116.66 105.77 3khj n ARG 27 Ca 0.18 -0.06 0.00 0.00 -1.04 0.00 0.00 57.85 56.93 3khj n ARG 27 Cb 0.60 -1.16 0.00 0.00 -3.04 0.00 0.00 32.46 28.86 3khj n ARG 27 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 3khj n GLU 28 N -0.60 0.68 -2.66 2.89 1.02 -0.11 -5.04 120.64 116.81 3khj n GLU 28 Ca 0.08 -0.89 -0.42 0.00 -0.02 0.00 0.00 57.16 55.91 3khj n GLU 28 Cb 0.05 -0.97 -0.04 0.00 -0.02 0.00 0.00 31.44 30.46 3khj n GLU 28 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3khj s VAL 29 N -0.40 4.56 -0.34 2.62 1.01 -1.16 -4.93 120.40 121.74 3khj s VAL 29 Ca 0.00 1.95 -0.23 0.00 0.00 0.00 0.00 61.98 63.70 3khj s VAL 29 Cb 0.00 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 32.14 3khj s VAL 29 CO 0.00 0.22 0.78 -0.55 0.00 0.00 0.00 175.10 175.55 3khj s SER 30 N 0.58 6.59 -0.01 3.32 0.15 0.96 -4.92 113.70 120.36 3khj s SER 30 Ca 0.51 0.46 0.17 0.00 0.70 0.00 0.00 55.95 57.78 3khj s SER 30 Cb -0.24 -2.40 0.50 0.00 -1.71 0.00 0.00 66.02 62.18 3khj s SER 30 CO 0.29 -0.69 1.41 0.18 1.20 0.00 0.00 173.24 175.64 3khj n LEU 31 N 6.34 3.10 -4.77 3.45 4.77 -1.26 -4.15 117.00 124.49 3khj n LEU 31 Ca 0.03 -1.55 -0.41 0.00 -0.03 0.00 0.00 56.01 54.05 3khj n LEU 31 Cb 0.48 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 3khj n LEU 31 CO 0.53 0.74 1.09 -0.70 -1.33 0.00 0.00 177.39 177.71 3khj s GLU 32 N -1.32 4.21 0.30 3.23 2.12 -1.16 -3.81 118.70 122.27 3khj s GLU 32 Ca 0.38 2.42 -0.09 0.00 0.36 0.00 0.00 54.97 58.04 3khj s GLU 32 Cb 0.20 -3.03 0.01 0.00 0.26 0.00 0.00 34.13 31.57 3khj s GLU 32 CO 0.25 -0.42 0.52 -0.08 -0.54 0.00 0.00 175.26 174.98 3khj s THR 33 N -0.85 0.00 -0.21 -1.70 -1.32 -0.53 -4.54 115.64 106.48 3khj s THR 33 Ca 0.54 -1.43 -0.05 0.00 -1.21 0.00 0.00 61.69 59.53 3khj s THR 33 Cb -0.44 -2.47 -0.02 0.00 -1.51 0.00 0.00 72.50 68.06 3khj s THR 33 CO 0.55 0.00 -0.00 -0.75 -2.21 0.00 0.00 174.62 172.21 3khj s LYS 34 N -3.40 3.57 -0.08 7.08 2.20 -1.26 -0.70 119.74 127.14 3khj s LYS 34 Ca 0.25 -0.54 -0.04 0.00 -0.36 0.00 0.00 55.97 55.28 3khj s LYS 34 Cb -0.01 -3.09 -0.02 0.00 -1.51 0.00 0.00 37.83 33.20 3khj s LYS 34 CO 0.14 -0.05 0.15 1.25 -0.36 0.00 0.00 175.35 176.48 3khj h LEU 35 N 7.70 -0.11 0.00 5.43 5.85 -1.08 -3.43 115.31 129.67 3khj h LEU 35 Ca -0.37 0.00 -0.65 0.00 0.84 0.00 0.00 57.88 57.70 3khj h LEU 35 Cb 1.17 0.03 -0.11 0.00 0.37 0.00 0.00 40.66 42.12 3khj h LEU 35 CO 0.60 0.37 -0.44 0.35 -0.34 0.00 0.00 178.44 178.97 3khj n THR 36 N -4.84 0.00 0.22 1.05 -2.24 -0.98 -4.76 114.28 102.72 3khj n THR 36 Ca -0.02 -2.38 0.10 0.00 -2.27 0.00 0.00 64.05 59.48 3khj n THR 36 Cb 0.05 0.38 0.50 0.00 -2.10 0.00 0.00 70.33 69.17 3khj n THR 36 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3khj n LYS 37 N -1.38 0.14 0.00 -0.78 0.00 -1.15 -2.99 118.16 112.00 3khj n LYS 37 Ca -0.18 0.56 0.00 0.00 -0.00 0.00 0.00 58.31 58.69 3khj n LYS 37 Cb 0.65 -1.88 0.00 0.00 -0.00 0.00 0.00 35.03 33.80 3khj n LYS 37 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3khj n ASN 38 N -2.16 0.65 -4.06 -5.58 3.02 -1.26 -5.04 115.26 100.83 3khj n ASN 38 Ca -0.00 -0.92 -0.22 0.00 -0.03 0.00 0.00 54.58 53.41 3khj n ASN 38 Cb 0.08 0.09 -0.15 0.00 -0.61 0.00 0.00 39.78 39.19 3khj n ASN 38 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3khj s VAL 39 N -0.09 0.98 0.21 2.41 1.01 -1.16 -5.09 120.40 118.68 3khj s VAL 39 Ca 0.00 -0.49 0.11 0.00 0.00 0.00 0.00 61.98 61.59 3khj s VAL 39 Cb 0.00 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 3khj s VAL 39 CO 0.00 0.29 -0.20 -0.44 0.00 0.00 0.00 175.10 174.75 3khj s SER 40 N -0.01 3.21 0.14 3.32 0.01 -1.26 -0.46 113.70 118.65 3khj s SER 40 Ca -0.00 -0.93 0.06 0.00 1.31 0.00 0.00 55.95 56.38 3khj s SER 40 Cb -0.08 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 3khj s SER 40 CO 0.00 0.03 -0.13 -0.76 0.41 0.00 0.00 173.24 172.79 3khj s LEU 41 N -3.00 2.47 0.07 2.44 1.43 0.12 -4.81 118.68 117.40 3khj s LEU 41 Ca 0.23 -0.91 0.11 0.00 -1.03 0.00 0.00 54.13 52.52 3khj s LEU 41 Cb -0.06 -0.50 -0.18 0.00 0.03 0.00 0.00 46.19 45.48 3khj s LEU 41 CO 0.10 -0.21 1.04 0.11 0.23 0.00 0.00 176.35 177.62 3khj h LYS 42 N 3.14 0.00 -5.76 1.70 6.56 -1.65 -1.42 116.57 119.14 3khj h LYS 42 Ca -0.38 0.00 -0.49 0.00 -1.06 0.00 0.00 60.65 58.72 3khj h LYS 42 Cb 1.20 0.00 -0.22 0.00 -0.57 0.00 0.00 32.23 32.64 3khj h LYS 42 CO 0.57 0.71 -0.80 0.96 -2.06 0.00 0.00 179.45 178.82 3khj s ILE 43 N -2.71 1.41 -0.60 1.86 -4.36 -1.21 -3.00 121.20 112.60 3khj s ILE 43 Ca -0.01 -1.40 -0.05 0.00 -0.26 0.00 0.00 60.65 58.94 3khj s ILE 43 Cb 0.09 -1.31 0.01 0.00 1.25 0.00 0.00 42.46 42.49 3khj s ILE 43 CO 0.81 -0.12 2.86 -0.81 0.24 0.00 0.00 174.94 177.93 3khj n PRO 44 N 1.24 2.82 -4.85 0.37 -0.04 -1.25 -4.39 135.00 128.91 3khj n PRO 44 Ca -0.20 -2.31 -0.27 0.00 -0.04 0.00 0.00 63.50 60.68 3khj n PRO 44 Cb 0.54 -2.24 -0.16 0.00 -0.04 0.00 0.00 33.50 31.59 3khj n PRO 44 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3khj s LEU 45 N -1.66 1.86 -0.04 1.53 1.43 -1.26 -1.80 118.68 118.73 3khj s LEU 45 Ca 0.60 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 53.35 3khj s LEU 45 Cb 0.32 -1.04 -0.00 0.00 0.03 0.00 0.00 46.19 45.51 3khj s LEU 45 CO -0.15 0.11 -0.16 -0.63 0.23 0.00 0.00 176.35 175.75 3khj s ILE 46 N 0.36 1.30 0.10 -0.59 1.01 0.05 -3.17 121.20 120.26 3khj s ILE 46 Ca -0.12 -0.64 -0.26 0.00 0.00 0.00 0.00 60.65 59.63 3khj s ILE 46 Cb -0.15 -1.13 -0.07 0.00 0.01 0.00 0.00 42.46 41.13 3khj s ILE 46 CO 0.05 0.38 0.79 -0.94 0.00 0.00 0.00 174.94 175.22 3khj s SER 47 N 0.08 7.32 0.70 3.58 1.04 -1.09 0.71 113.70 126.03 3khj s SER 47 Ca -0.04 1.57 -0.16 0.00 0.48 0.00 0.00 55.95 57.81 3khj s SER 47 Cb -0.11 -2.50 0.02 0.00 0.10 0.00 0.00 66.02 63.53 3khj s SER 47 CO 0.02 0.09 1.19 -0.44 0.98 0.00 0.00 173.24 175.07 3khj s SER 48 N -0.50 4.53 -0.74 7.02 0.01 0.10 -3.45 113.70 120.67 3khj s SER 48 Ca 0.38 2.29 -0.06 0.00 1.31 0.00 0.00 55.95 59.87 3khj s SER 48 Cb -0.22 -2.58 -0.08 0.00 0.21 0.00 0.00 66.02 63.35 3khj s SER 48 CO 0.25 -2.03 3.04 0.00 0.41 0.00 0.00 173.24 174.91 3khj n ALA 49 N -2.49 6.77 -2.39 1.44 0.00 -1.26 -3.98 120.51 118.60 3khj n ALA 49 Ca 0.13 -2.94 -0.30 0.00 0.00 0.00 0.00 53.44 50.32 3khj n ALA 49 Cb 0.50 -2.61 -0.14 0.00 0.00 0.00 0.00 19.45 17.20 3khj n ALA 49 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3khj s MET 50 N 0.23 1.80 0.00 0.00 -1.94 -1.26 -4.56 119.30 113.56 3khj s MET 50 Ca 0.63 -1.12 0.11 0.00 -1.71 0.00 0.00 55.69 53.60 3khj s MET 50 Cb 0.28 -2.02 0.47 0.00 2.01 0.00 0.00 34.83 35.57 3khj s MET 50 CO -0.09 0.51 1.34 -0.40 -0.01 0.00 0.00 175.02 176.37 3khj n ASP 51 N 1.53 0.00 -0.12 3.03 3.85 -1.26 -1.87 116.55 121.71 3khj n ASP 51 Ca -0.17 0.46 0.11 0.00 -0.71 0.00 0.00 54.79 54.48 3khj n ASP 51 Cb 0.52 -0.48 -0.02 0.00 -1.35 0.00 0.00 41.12 39.79 3khj n ASP 51 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3khj n THR 52 N -1.48 0.00 0.00 2.12 -2.24 -1.26 -4.70 114.28 106.72 3khj n THR 52 Ca 0.03 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3khj n THR 52 Cb 0.12 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 3khj n THR 52 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3khj n VAL 53 N -1.13 0.00 -4.06 2.28 3.14 -0.81 -4.33 118.33 113.42 3khj n VAL 53 Ca 0.06 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.12 3khj n VAL 53 Cb 0.36 -1.38 -0.15 0.00 -1.06 0.00 0.00 33.84 31.61 3khj n VAL 53 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3khj s THR 54 N -2.00 2.11 0.18 1.55 2.01 -0.78 -4.30 115.64 114.41 3khj s THR 54 Ca 0.00 -1.62 0.02 0.00 0.31 0.00 0.00 61.69 60.40 3khj s THR 54 Cb 0.00 -2.24 -0.01 0.00 0.01 0.00 0.00 72.50 70.26 3khj s THR 54 CO 0.00 -0.05 0.06 -0.62 -0.69 0.00 0.00 174.62 173.32 3khj n GLU 55 N 4.45 0.83 -0.35 4.92 1.02 -1.26 -3.83 120.64 126.42 3khj n GLU 55 Ca -0.13 -1.50 0.24 0.00 -0.02 0.00 0.00 57.16 55.75 3khj n GLU 55 Cb 0.42 0.79 0.49 0.00 -0.02 0.00 0.00 31.44 33.12 3khj n GLU 55 CO 0.00 0.00 0.00 1.12 1.18 0.00 0.00 177.13 179.43 3khj h HIS 56 N 1.28 0.81 -0.31 -0.32 2.07 -1.93 0.24 115.15 116.99 3khj h HIS 56 Ca -0.14 0.03 -0.12 0.00 -2.85 0.00 0.00 60.37 57.29 3khj h HIS 56 Cb 0.53 -0.22 -0.01 0.00 2.57 0.00 0.00 27.41 30.27 3khj h HIS 56 CO 0.00 -0.07 -0.29 1.25 -3.07 0.00 0.00 177.93 175.74 3khj h LEU 57 N 0.36 0.65 -0.21 6.12 5.85 -1.94 0.15 115.31 126.29 3khj h LEU 57 Ca 0.69 -0.25 -0.22 0.00 0.84 0.00 0.00 57.88 58.94 3khj h LEU 57 Cb 1.68 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 42.54 3khj h LEU 57 CO -0.47 0.91 -0.81 -0.03 -0.34 0.00 0.00 178.44 177.70 3khj h MET 58 N 0.55 0.64 -0.53 1.25 4.05 -0.83 -3.00 114.93 117.06 3khj h MET 58 Ca 0.07 -0.56 -0.10 0.00 -0.28 0.00 0.00 59.70 58.83 3khj h MET 58 Cb 0.78 0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.69 3khj h MET 58 CO 0.06 1.17 -0.08 0.00 0.23 0.00 0.00 176.91 178.29 3khj h ALA 59 N 0.66 0.86 -0.32 0.39 0.00 -0.77 0.12 119.26 120.20 3khj h ALA 59 Ca -0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 3khj h ALA 59 Cb 1.43 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3khj h ALA 59 CO 0.16 0.65 0.13 0.28 0.00 0.00 0.00 179.25 180.47 3khj h VAL 60 N 0.87 1.18 -0.38 0.00 2.07 -0.80 -2.58 116.25 116.61 3khj h VAL 60 Ca 0.14 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 67.05 3khj h VAL 60 Cb 0.62 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3khj h VAL 60 CO 0.04 0.19 -0.01 1.23 0.02 0.00 0.00 177.57 179.04 3khj h GLY 61 N 0.37 0.74 1.04 2.17 0.00 -1.36 -2.23 103.07 103.79 3khj h GLY 61 Ca 0.11 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 3khj h GLY 61 CO -0.01 0.50 0.32 -0.33 0.00 0.00 0.00 176.54 177.03 3khj h MET 62 N 0.50 1.15 -0.05 4.80 2.86 -0.79 -2.75 114.93 120.65 3khj h MET 62 Ca 0.11 -0.20 -0.12 0.00 -2.06 0.00 0.00 59.70 57.43 3khj h MET 62 Cb 0.48 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 3khj h MET 62 CO 0.02 0.92 -0.52 0.00 1.06 0.00 0.00 176.91 178.39 3khj h ALA 63 N 1.17 1.04 0.00 6.32 0.00 -1.44 -0.14 119.26 126.21 3khj h ALA 63 Ca 0.26 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 3khj h ALA 63 Cb 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3khj h ALA 63 CO -0.02 0.67 -0.46 0.07 0.00 0.00 0.00 179.25 179.50 3khj h ARG 64 N 0.10 0.00 -0.01 0.00 0.11 -1.12 -3.07 114.38 110.40 3khj h ARG 64 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3khj h ARG 64 Cb 0.96 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.04 3khj h ARG 64 CO 0.07 0.46 -0.39 1.28 0.10 0.00 0.00 179.97 181.50 3khj n LEU 65 N -3.97 1.12 0.00 0.08 4.32 -1.08 -4.95 117.00 112.51 3khj n LEU 65 Ca -0.02 -0.32 0.00 0.00 -0.02 0.00 0.00 56.01 55.65 3khj n LEU 65 Cb 0.49 -0.11 0.00 0.00 -1.62 0.00 0.00 43.42 42.17 3khj n LEU 65 CO 0.40 0.22 0.00 0.61 -1.22 0.00 0.00 177.39 177.40 3khj n GLY 66 N 1.39 1.53 0.00 -0.72 0.00 -1.16 -4.74 105.19 101.50 3khj n GLY 66 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3khj n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khj n GLY 67 N 0.00 1.55 3.32 -0.02 0.00 -0.07 -1.84 105.19 108.13 3khj n GLY 67 Ca 0.00 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 44.23 3khj n GLY 67 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3khj s ILE 68 N 2.51 0.06 -0.02 -0.61 2.07 -1.19 -3.75 121.20 120.27 3khj s ILE 68 Ca 0.00 -0.53 0.06 0.00 -1.41 0.00 0.00 60.65 58.77 3khj s ILE 68 Cb 0.00 -1.13 -0.01 0.00 0.13 0.00 0.00 42.46 41.44 3khj s ILE 68 CO 0.00 -0.29 -0.20 -0.83 -1.91 0.00 0.00 174.94 171.71 3khj s GLY 69 N -2.70 0.98 -0.30 1.50 0.00 -1.26 -2.69 107.32 102.85 3khj s GLY 69 Ca 0.02 -0.85 -0.07 0.00 0.00 0.00 0.00 44.72 43.82 3khj s GLY 69 CO -0.11 -0.67 0.09 -0.42 0.00 0.00 0.00 173.10 172.00 3khj s ILE 70 N -0.39 4.07 0.10 0.90 1.09 -1.22 -0.39 121.20 125.35 3khj s ILE 70 Ca 0.06 -0.65 -0.31 0.00 -1.10 0.00 0.00 60.65 58.65 3khj s ILE 70 Cb -0.08 -3.10 -0.08 0.00 -1.06 0.00 0.00 42.46 38.14 3khj s ILE 70 CO -0.00 0.07 1.47 -0.63 -0.10 0.00 0.00 174.94 175.75 3khj s ILE 71 N 1.52 3.17 0.72 2.92 -1.09 0.02 -4.12 121.20 124.35 3khj s ILE 71 Ca 0.03 0.78 -0.13 0.00 -2.23 0.00 0.00 60.65 59.10 3khj s ILE 71 Cb -0.17 -3.50 0.03 0.00 -1.58 0.00 0.00 42.46 37.24 3khj s ILE 71 CO 0.03 0.04 1.13 -1.38 -1.23 0.00 0.00 174.94 173.53 3khj s HIS 72 N 1.53 2.41 -1.77 3.97 -3.43 -1.25 -0.50 115.29 116.25 3khj s HIS 72 Ca 0.67 1.58 0.27 0.00 -0.80 0.00 0.00 55.06 56.79 3khj s HIS 72 Cb -0.38 -3.21 0.97 0.00 -1.43 0.00 0.00 32.58 28.53 3khj s HIS 72 CO 0.30 -1.99 1.70 0.36 -2.00 0.00 0.00 174.74 173.11 3khj n LYS 73 N -2.92 0.84 -1.06 -0.38 2.85 -1.26 -4.55 118.16 111.69 3khj n LYS 73 Ca 0.11 -0.43 -0.19 0.00 -1.05 0.00 0.00 58.31 56.75 3khj n LYS 73 Cb 0.52 -1.49 -0.13 0.00 -0.65 0.00 0.00 35.03 33.28 3khj n LYS 73 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 3khj n ASN 74 N -0.71 6.07 -3.82 -5.58 5.15 -1.26 -4.79 115.26 110.32 3khj n ASN 74 Ca 0.14 -2.48 -0.07 0.00 -0.60 0.00 0.00 54.58 51.57 3khj n ASN 74 Cb 0.32 -1.42 -0.02 0.00 -0.53 0.00 0.00 39.78 38.13 3khj n ASN 74 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3khj s MET 75 N 1.39 1.67 0.46 1.20 0.23 -1.26 -5.04 119.30 117.96 3khj s MET 75 Ca 0.66 -0.91 -0.25 0.00 -1.03 0.00 0.00 55.69 54.16 3khj s MET 75 Cb 0.27 0.58 -0.08 0.00 -1.53 0.00 0.00 34.83 34.07 3khj s MET 75 CO -0.02 -0.77 1.41 -3.47 -2.03 0.00 0.00 175.02 170.15 3khj n ASP 76 N -0.46 3.17 -0.18 -1.18 2.03 -1.26 -4.82 116.55 113.85 3khj n ASP 76 Ca -0.05 1.10 -0.01 0.00 0.52 0.00 0.00 54.79 56.35 3khj n ASP 76 Cb 0.60 -1.59 0.08 0.00 -0.72 0.00 0.00 41.12 39.49 3khj n ASP 76 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 3khj h MET 77 N 2.16 0.18 -0.52 -0.67 2.86 -1.99 0.49 114.93 117.43 3khj h MET 77 Ca -0.51 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.07 3khj h MET 77 Cb 1.28 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.87 3khj h MET 77 CO 0.60 0.12 0.13 0.93 1.06 0.00 0.00 176.91 179.76 3khj h GLU 78 N 0.19 0.83 0.00 1.72 5.08 -2.00 -2.39 114.58 118.01 3khj h GLU 78 Ca 0.28 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3khj h GLU 78 Cb 0.43 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3khj h GLU 78 CO -0.41 0.79 -0.19 0.66 -1.00 0.00 0.00 179.01 178.86 3khj h SER 79 N 0.72 0.00 -0.16 1.42 4.64 -1.79 -1.85 113.55 116.53 3khj h SER 79 Ca 0.16 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.27 3khj h SER 79 Cb 0.32 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3khj h SER 79 CO 0.00 0.19 -0.72 -0.61 -0.87 0.00 0.00 176.83 174.82 3khj h GLN 80 N 0.00 0.77 -0.75 4.77 4.15 -0.73 -2.99 115.11 120.34 3khj h GLN 80 Ca -0.00 -0.61 -0.04 0.00 0.77 0.00 0.00 58.65 58.76 3khj h GLN 80 Cb 0.76 0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.54 3khj h GLN 80 CO 0.02 1.23 0.31 0.28 -1.93 0.00 0.00 178.83 178.74 3khj h VAL 81 N 0.50 1.25 -0.69 2.39 2.07 -1.20 -2.72 116.25 117.84 3khj h VAL 81 Ca -0.04 -0.78 0.10 0.00 0.82 0.00 0.00 66.70 66.80 3khj h VAL 81 Cb 1.35 0.35 -0.08 0.00 -1.52 0.00 0.00 31.29 31.39 3khj h VAL 81 CO 0.15 0.32 0.31 0.78 0.02 0.00 0.00 177.57 179.15 3khj h ASN 82 N 1.08 0.37 0.25 0.57 4.21 -1.33 -1.79 115.58 118.94 3khj h ASN 82 Ca 0.25 0.07 -0.13 0.00 1.21 0.00 0.00 56.30 57.70 3khj h ASN 82 Cb 0.19 0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.40 3khj h ASN 82 CO -0.02 0.20 -0.52 -0.33 -1.29 0.00 0.00 177.43 175.47 3khj h GLU 83 N 0.52 0.30 -0.22 0.81 4.39 -1.34 -1.02 114.58 118.02 3khj h GLU 83 Ca 0.35 -0.18 -0.05 0.00 0.34 0.00 0.00 59.36 59.82 3khj h GLU 83 Cb 0.42 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 3khj h GLU 83 CO -0.30 0.75 -0.05 0.28 -1.16 0.00 0.00 179.01 178.52 3khj h VAL 84 N 0.24 1.28 -0.06 3.13 2.07 -1.20 -3.15 116.25 118.57 3khj h VAL 84 Ca 0.01 -1.04 -0.09 0.00 0.82 0.00 0.00 66.70 66.40 3khj h VAL 84 Cb 0.99 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 3khj h VAL 84 CO 0.08 0.32 -0.36 -0.07 0.02 0.00 0.00 177.57 177.56 3khj h LEU 85 N 0.15 0.12 -1.30 2.57 3.38 -1.23 -2.84 115.31 116.15 3khj h LEU 85 Ca 0.06 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3khj h LEU 85 Cb 0.51 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3khj h LEU 85 CO 0.02 0.48 -0.19 0.50 0.09 0.00 0.00 178.44 179.34 3khj h LYS 86 N 0.10 0.24 0.10 1.13 3.64 -1.15 -0.81 116.57 119.82 3khj h LYS 86 Ca 0.01 -0.07 -0.26 0.00 -1.27 0.00 0.00 60.65 59.06 3khj h LYS 86 Cb 0.69 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.49 3khj h LYS 86 CO 0.05 0.43 -1.16 0.28 -2.27 0.00 0.00 179.45 176.78 3khj h VAL 87 N 0.22 1.46 -0.42 2.00 2.07 -1.50 -3.31 116.25 116.77 3khj h VAL 87 Ca 0.04 -2.85 -0.03 0.00 0.82 0.00 0.00 66.70 64.68 3khj h VAL 87 Cb 0.47 2.78 -0.02 0.00 -1.52 0.00 0.00 31.29 33.00 3khj h VAL 87 CO 0.03 0.84 0.15 0.11 0.02 0.00 0.00 177.57 178.72 3khj h LYS 88 N 0.13 0.64 -0.97 1.57 1.79 -1.17 -3.02 116.57 115.54 3khj h LYS 88 Ca -0.12 -0.13 -0.25 0.00 -2.18 0.00 0.00 60.65 57.97 3khj h LYS 88 Cb 1.85 -0.10 -0.15 0.00 -1.58 0.00 0.00 32.23 32.26 3khj h LYS 88 CO 0.19 0.62 0.32 0.09 -1.08 0.00 0.00 179.45 179.59 3khj n ASN 89 N -4.60 3.43 -2.67 0.86 3.02 -0.36 -2.39 115.26 112.55 3khj n ASN 89 Ca 0.00 -2.83 -0.09 0.00 -0.03 0.00 0.00 54.58 51.63 3khj n ASN 89 Cb 0.17 -0.68 0.05 0.00 -0.61 0.00 0.00 39.78 38.72 3khj n ASN 89 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3khj n SER 90 N -0.31 0.52 0.00 6.41 3.41 -1.14 -4.93 113.62 117.59 3khj n SER 90 Ca 0.31 -2.65 0.00 0.00 -0.26 0.00 0.00 58.87 56.27 3khj n SER 90 Cb 1.10 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.94 3khj n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3khj n GLY 91 N -0.20 1.11 2.80 5.00 0.00 -1.26 -4.82 105.19 107.82 3khj n GLY 91 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 3khj n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khj n GLY 92 N 0.00 -0.10 3.97 -0.02 0.00 -1.00 -5.03 105.19 103.00 3khj n GLY 92 Ca 0.00 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 3khj n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3khj s LEU 135 N -5.17 3.51 -0.01 0.99 1.43 -1.26 -5.05 118.68 113.12 3khj s LEU 135 Ca 0.19 0.06 -0.09 0.00 -1.03 0.00 0.00 54.13 53.26 3khj s LEU 135 Cb -0.08 -2.96 -0.05 0.00 0.03 0.00 0.00 46.19 43.12 3khj s LEU 135 CO 0.50 -0.88 0.30 -0.13 0.23 0.00 0.00 176.35 176.37 3khj s ARG 136 N -4.60 3.67 0.16 1.70 0.52 -1.26 -4.62 118.95 114.51 3khj s ARG 136 Ca 0.53 0.08 0.01 0.00 -0.52 0.00 0.00 55.73 55.83 3khj s ARG 136 Cb -0.10 -3.13 -0.04 0.00 0.52 0.00 0.00 34.95 32.20 3khj s ARG 136 CO 0.37 0.68 0.02 0.14 0.02 0.00 0.00 175.30 176.53 3khj s VAL 137 N -1.20 0.48 0.32 3.52 -7.23 -1.26 -4.57 120.40 110.46 3khj s VAL 137 Ca 0.25 -1.95 0.07 0.00 -1.81 0.00 0.00 61.98 58.53 3khj s VAL 137 Cb -0.14 -2.09 -0.06 0.00 0.56 0.00 0.00 36.38 34.65 3khj s VAL 137 CO 0.13 -0.48 -0.04 -0.83 -0.31 0.00 0.00 175.10 173.58 3khj s GLY 138 N -3.13 2.06 -0.09 2.32 0.00 0.47 -2.40 107.32 106.56 3khj s GLY 138 Ca 0.24 -2.04 -0.10 0.00 0.00 0.00 0.00 44.72 42.82 3khj s GLY 138 CO 0.03 -1.92 0.27 0.00 0.00 0.00 0.00 173.10 171.48 3khj s ALA 139 N -2.93 -0.67 -0.08 3.20 0.00 -0.99 -0.80 121.76 119.51 3khj s ALA 139 Ca 0.32 0.68 -0.12 0.00 0.00 0.00 0.00 51.96 52.85 3khj s ALA 139 Cb 0.05 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.75 3khj s ALA 139 CO 0.14 -0.15 0.28 0.00 0.00 0.00 0.00 175.76 176.04 3khj s ALA 140 N -0.07 3.75 0.05 0.00 0.00 0.35 -0.51 121.76 125.31 3khj s ALA 140 Ca -0.02 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 51.55 3khj s ALA 140 Cb -0.03 -2.23 -0.02 0.00 0.00 0.00 0.00 23.12 20.84 3khj s ALA 140 CO 0.01 0.46 -0.09 0.96 0.00 0.00 0.00 175.76 177.09 3khj s ILE 141 N -0.76 0.67 0.00 0.00 -4.36 -0.56 -4.07 121.20 112.12 3khj s ILE 141 Ca 0.19 -1.09 0.00 0.00 -0.26 0.00 0.00 60.65 59.49 3khj s ILE 141 Cb -0.14 -0.70 0.00 0.00 1.25 0.00 0.00 42.46 42.86 3khj s ILE 141 CO 0.08 -0.32 0.00 0.61 0.24 0.00 0.00 174.94 175.55 3khj n GLY 142 N 1.50 0.57 3.76 6.27 0.00 -1.26 -1.94 105.19 114.09 3khj n GLY 142 Ca -0.22 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 3khj n GLY 142 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3khj s VAL 143 N 0.75 2.81 -0.58 1.61 -7.23 -1.26 -3.83 120.40 112.66 3khj s VAL 143 Ca 0.00 0.78 -0.12 0.00 -1.81 0.00 0.00 61.98 60.83 3khj s VAL 143 Cb 0.00 -3.49 0.02 0.00 0.56 0.00 0.00 36.38 33.46 3khj s VAL 143 CO 0.00 0.17 0.22 -0.46 -0.31 0.00 0.00 175.10 174.72 3khj n ASN 144 N 1.26 -1.21 -2.88 4.85 0.23 -1.26 -4.86 115.26 111.39 3khj n ASN 144 Ca 0.02 -0.58 -0.37 0.00 -0.53 0.00 0.00 54.58 53.12 3khj n ASN 144 Cb 0.42 -0.71 0.03 0.00 -2.08 0.00 0.00 39.78 37.44 3khj n ASN 144 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3khj n GLU 145 N -2.74 3.14 -0.27 -3.83 1.02 -1.25 -4.84 120.64 111.88 3khj n GLU 145 Ca -0.08 -3.88 0.02 0.00 -0.02 0.00 0.00 57.16 53.20 3khj n GLU 145 Cb 0.27 -2.28 0.15 0.00 -0.02 0.00 0.00 31.44 29.56 3khj n GLU 145 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3khj h ILE 146 N 2.18 0.87 -0.89 -3.67 1.08 -1.92 0.73 117.51 115.90 3khj h ILE 146 Ca 0.49 -0.24 -0.02 0.00 -0.39 0.00 0.00 64.86 64.70 3khj h ILE 146 Cb 0.27 0.12 -0.04 0.00 -3.07 0.00 0.00 36.82 34.10 3khj h ILE 146 CO 1.26 0.13 0.47 -0.08 -0.69 0.00 0.00 178.15 179.24 3khj h GLU 147 N 0.69 1.26 -0.32 2.37 4.22 -1.99 0.14 114.58 120.95 3khj h GLU 147 Ca 0.38 -0.16 -0.14 0.00 0.08 0.00 0.00 59.36 59.52 3khj h GLU 147 Cb 0.38 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3khj h GLU 147 CO -0.26 0.93 -0.37 -0.09 -2.18 0.00 0.00 179.01 177.04 3khj h ARG 148 N 1.26 0.75 -0.24 1.92 2.43 -1.65 -2.47 114.38 116.37 3khj h ARG 148 Ca 0.31 -0.38 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 3khj h ARG 148 Cb 0.05 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3khj h ARG 148 CO -0.05 1.00 -0.19 0.00 -1.51 0.00 0.00 179.97 179.22 3khj h ALA 149 N 0.96 1.22 -0.41 2.80 0.00 -0.32 -2.93 119.26 120.58 3khj h ALA 149 Ca 0.06 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 3khj h ALA 149 Cb 0.92 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3khj h ALA 149 CO 0.08 0.51 -0.26 1.57 0.00 0.00 0.00 179.25 181.15 3khj h LYS 150 N 0.39 0.91 0.00 0.00 -0.00 -0.63 -2.95 116.57 114.29 3khj h LYS 150 Ca 0.07 -0.42 0.00 0.00 -0.00 0.00 0.00 60.65 60.29 3khj h LYS 150 Cb 0.57 -0.01 0.00 0.00 -0.00 0.00 0.00 32.23 32.78 3khj h LYS 150 CO 0.04 1.08 0.00 1.28 -0.00 0.00 0.00 179.45 181.84 3khj n LEU 151 N -4.15 0.38 -0.06 7.07 4.77 -0.94 -2.85 117.00 121.22 3khj n LEU 151 Ca -0.01 0.61 -0.17 0.00 -0.03 0.00 0.00 56.01 56.40 3khj n LEU 151 Cb 0.47 -0.58 -0.14 0.00 -2.33 0.00 0.00 43.42 40.85 3khj n LEU 151 CO 0.46 -0.51 -1.00 0.18 -1.33 0.00 0.00 177.39 175.20 3khj n LEU 152 N -1.94 2.23 -0.04 2.23 4.77 -1.15 -3.70 117.00 119.41 3khj n LEU 152 Ca 0.02 0.09 -0.11 0.00 -0.03 0.00 0.00 56.01 55.98 3khj n LEU 152 Cb 0.16 -0.70 -0.06 0.00 -2.33 0.00 0.00 43.42 40.50 3khj n LEU 152 CO 0.15 0.78 0.80 0.58 -1.33 0.00 0.00 177.39 178.37 3khj h VAL 153 N 0.03 1.20 0.00 4.08 2.07 -1.37 -2.24 116.25 120.02 3khj h VAL 153 Ca -0.47 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 3khj h VAL 153 Cb 2.01 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 3khj h VAL 153 CO 0.02 0.18 -0.19 1.05 0.02 0.00 0.00 177.57 178.65 3khj h GLU 154 N 0.02 0.00 0.00 1.57 4.11 -1.75 -2.50 114.58 116.03 3khj h GLU 154 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.47 3khj h GLU 154 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3khj h GLU 154 CO 0.00 0.19 0.00 0.00 0.07 0.00 0.00 179.01 179.27 3khj h ALA 155 N 1.81 1.00 -0.09 1.06 0.00 -1.59 -3.47 119.26 117.98 3khj h ALA 155 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3khj h ALA 155 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3khj h ALA 155 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 3khj n GLY 156 N 0.55 1.28 3.82 0.00 0.00 -0.94 -4.78 105.19 105.12 3khj n GLY 156 Ca 0.03 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 3khj n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khj s VAL 157 N -2.09 4.09 -0.21 1.61 0.11 -0.86 -4.91 120.40 118.13 3khj s VAL 157 Ca 0.00 0.84 0.05 0.00 -2.93 0.00 0.00 61.98 59.94 3khj s VAL 157 Cb 0.00 -3.49 -0.16 0.00 -1.53 0.00 0.00 36.38 31.20 3khj s VAL 157 CO 0.00 -0.73 -0.13 0.47 -3.33 0.00 0.00 175.10 171.38 3khj n ASP 158 N -2.45 1.88 -3.99 3.54 9.92 -1.01 -4.88 116.55 119.56 3khj n ASP 158 Ca 0.08 -0.09 -0.15 0.00 -0.53 0.00 0.00 54.79 54.09 3khj n ASP 158 Cb 0.53 -0.02 -0.14 0.00 -0.64 0.00 0.00 41.12 40.85 3khj n ASP 158 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 3khj s VAL 159 N -2.44 0.47 -0.18 2.53 -7.23 -1.11 -4.21 120.40 108.22 3khj s VAL 159 Ca -0.24 -0.42 -0.02 0.00 -1.81 0.00 0.00 61.98 59.49 3khj s VAL 159 Cb 0.07 -0.43 -0.01 0.00 0.56 0.00 0.00 36.38 36.58 3khj s VAL 159 CO 0.56 0.02 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.64 3khj s ILE 160 N -0.40 3.03 -0.47 -0.62 1.01 0.09 -2.33 121.20 121.51 3khj s ILE 160 Ca -0.00 -0.63 -0.15 0.00 0.00 0.00 0.00 60.65 59.87 3khj s ILE 160 Cb -0.04 -2.33 0.07 0.00 0.01 0.00 0.00 42.46 40.18 3khj s ILE 160 CO -0.00 0.48 0.38 -0.69 0.00 0.00 0.00 174.94 175.11 3khj s VAL 161 N 1.01 5.14 -0.81 2.92 1.01 0.33 -0.71 120.40 129.29 3khj s VAL 161 Ca -0.01 -1.10 -0.25 0.00 0.00 0.00 0.00 61.98 60.62 3khj s VAL 161 Cb -0.15 -4.08 0.04 0.00 0.00 0.00 0.00 36.38 32.20 3khj s VAL 161 CO -0.01 -0.57 1.29 -0.22 0.00 0.00 0.00 175.10 175.59 3khj s LEU 162 N 1.62 3.40 -0.10 3.92 2.96 0.16 -1.49 118.68 129.15 3khj s LEU 162 Ca 0.04 -0.79 -0.02 0.00 -0.22 0.00 0.00 54.13 53.14 3khj s LEU 162 Cb -0.24 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.87 3khj s LEU 162 CO 0.06 -1.70 -0.02 -0.62 -1.32 0.00 0.00 176.35 172.75 3khj s ASP 163 N 4.05 5.03 0.09 3.68 -1.08 -0.82 -1.62 116.67 126.00 3khj s ASP 163 Ca 0.37 0.05 -0.05 0.00 -0.52 0.00 0.00 52.55 52.40 3khj s ASP 163 Cb -0.07 -1.47 -0.02 0.00 -1.46 0.00 0.00 42.92 39.91 3khj s ASP 163 CO 0.07 0.33 0.11 -0.55 0.52 0.00 0.00 175.17 175.65 3khj s SER 164 N -0.61 0.26 0.28 -0.34 0.15 -0.13 -4.48 113.70 108.84 3khj s SER 164 Ca 0.10 -0.85 0.01 0.00 0.70 0.00 0.00 55.95 55.90 3khj s SER 164 Cb -0.12 0.29 0.41 0.00 -1.71 0.00 0.00 66.02 64.90 3khj s SER 164 CO 0.02 -0.70 1.77 0.00 1.20 0.00 0.00 173.24 175.53 3khj h ALA 165 N 2.89 1.15 -3.25 5.45 0.00 -1.90 -2.10 119.26 121.50 3khj h ALA 165 Ca -0.34 -0.28 -0.57 0.00 0.00 0.00 0.00 54.91 53.72 3khj h ALA 165 Cb 1.18 -0.16 -0.40 0.00 0.00 0.00 0.00 17.79 18.41 3khj h ALA 165 CO 0.59 0.54 -0.76 -1.58 0.00 0.00 0.00 179.25 178.04 3khj s HIS 166 N -4.81 1.69 0.25 0.00 5.65 -1.26 -4.65 115.29 112.15 3khj s HIS 166 Ca -0.08 -1.58 0.04 0.00 0.25 0.00 0.00 55.06 53.68 3khj s HIS 166 Cb 0.14 -1.58 0.28 0.00 -1.18 0.00 0.00 32.58 30.24 3khj s HIS 166 CO 0.80 -0.81 1.59 0.78 -0.65 0.00 0.00 174.74 176.44 3khj h GLY 167 N 8.09 0.30 -5.42 1.59 0.00 -0.87 -3.36 103.07 103.41 3khj h GLY 167 Ca -0.14 -0.35 -0.69 0.00 0.00 0.00 0.00 47.33 46.15 3khj h GLY 167 CO 0.44 0.31 3.45 1.57 0.00 0.00 0.00 176.54 182.31 3khj n HIS 168 N -3.92 2.79 -4.31 5.60 -0.00 -1.26 -4.74 115.22 109.38 3khj n HIS 168 Ca -0.02 -3.03 -0.17 0.00 0.46 0.00 0.00 57.72 54.96 3khj n HIS 168 Cb 0.58 -2.44 -0.10 0.00 -0.12 0.00 0.00 29.99 27.91 3khj n HIS 168 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 3khj s SER 169 N 2.26 2.07 0.14 0.26 1.04 -1.26 -5.06 113.70 113.15 3khj s SER 169 Ca 0.60 -1.09 -0.14 0.00 0.48 0.00 0.00 55.95 55.80 3khj s SER 169 Cb 0.16 -0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.25 3khj s SER 169 CO -0.07 -0.35 1.68 0.25 0.98 0.00 0.00 173.24 175.72 3khj h LEU 170 N 2.59 0.66 -2.21 2.42 5.85 -1.95 -2.94 115.31 119.73 3khj h LEU 170 Ca -0.38 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.15 3khj h LEU 170 Cb 1.21 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 3khj h LEU 170 CO 0.64 0.67 0.01 0.78 -0.34 0.00 0.00 178.44 180.20 3khj h ASN 171 N 0.60 0.00 -0.03 1.25 -0.26 -1.97 -2.47 115.58 112.71 3khj h ASN 171 Ca 0.15 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.78 3khj h ASN 171 Cb 0.24 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.51 3khj h ASN 171 CO -0.01 0.00 -0.42 0.40 -1.06 0.00 0.00 177.43 176.34 3khj h ILE 172 N 0.00 1.45 -0.76 2.81 1.08 -1.81 -3.16 117.51 117.12 3khj h ILE 172 Ca 0.00 -1.92 -0.03 0.00 -0.39 0.00 0.00 64.86 62.52 3khj h ILE 172 Cb 0.02 2.53 -0.03 0.00 -3.07 0.00 0.00 36.82 36.26 3khj h ILE 172 CO -0.00 0.55 0.36 0.40 -0.69 0.00 0.00 178.15 178.77 3khj h ILE 173 N -0.20 1.24 -0.91 -0.67 2.04 -1.36 -0.72 117.51 116.94 3khj h ILE 173 Ca -0.04 -0.68 0.03 0.00 1.00 0.00 0.00 64.86 65.16 3khj h ILE 173 Cb 1.12 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 3khj h ILE 173 CO 0.08 0.29 0.60 0.03 0.00 0.00 0.00 178.15 179.15 3khj h ARG 174 N 1.07 1.13 -0.16 2.37 -0.00 -1.57 -1.65 114.38 115.57 3khj h ARG 174 Ca 0.26 -0.07 -0.19 0.00 -0.50 0.00 0.00 59.98 59.48 3khj h ARG 174 Cb 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 29.97 29.84 3khj h ARG 174 CO -0.03 0.75 -0.68 1.15 0.00 0.00 0.00 179.97 181.15 3khj h THR 175 N 1.17 1.31 -0.32 2.04 2.02 -1.39 -2.73 112.91 115.00 3khj h THR 175 Ca 0.35 -1.95 -0.02 0.00 0.77 0.00 0.00 66.41 65.56 3khj h THR 175 Cb -0.03 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 3khj h THR 175 CO -0.10 0.61 0.12 0.25 0.37 0.00 0.00 175.52 176.77 3khj h LEU 176 N 0.46 0.45 -0.89 2.58 6.46 -0.80 -2.20 115.31 121.37 3khj h LEU 176 Ca -0.02 -0.18 -0.12 0.00 -0.12 0.00 0.00 57.88 57.44 3khj h LEU 176 Cb 1.28 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 41.07 3khj h LEU 176 CO 0.13 0.51 -0.48 0.11 -0.62 0.00 0.00 178.44 178.09 3khj h LYS 177 N 0.37 0.16 0.00 1.25 1.57 -1.36 -2.43 116.57 116.12 3khj h LYS 177 Ca 0.11 -0.09 -0.15 0.00 -1.87 0.00 0.00 60.65 58.65 3khj h LYS 177 Cb 0.20 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3khj h LYS 177 CO -0.01 0.61 -0.73 1.49 -0.57 0.00 0.00 179.45 180.25 3khj h GLU 178 N 0.13 0.00 0.00 3.15 4.81 -1.39 -3.18 114.58 118.10 3khj h GLU 178 Ca 0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3khj h GLU 178 Cb 0.91 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.29 3khj h GLU 178 CO 0.07 0.73 -0.00 0.82 -0.73 0.00 0.00 179.01 179.90 3khj h ILE 179 N 0.00 1.48 -0.30 2.32 2.04 -1.31 -3.20 117.51 118.54 3khj h ILE 179 Ca -0.01 -2.11 -0.01 0.00 1.00 0.00 0.00 64.86 63.73 3khj h ILE 179 Cb 1.41 2.80 -0.02 0.00 -0.74 0.00 0.00 36.82 40.28 3khj h ILE 179 CO 0.09 0.50 0.13 0.11 0.00 0.00 0.00 178.15 178.99 3khj h LYS 180 N -1.00 0.41 -0.02 2.37 1.79 -1.56 -0.01 116.57 118.56 3khj h LYS 180 Ca -0.00 -0.04 -0.11 0.00 -2.18 0.00 0.00 60.65 58.32 3khj h LYS 180 Cb 0.82 -0.08 0.01 0.00 -1.58 0.00 0.00 32.23 31.40 3khj h LYS 180 CO 0.00 0.34 -0.41 0.66 -1.08 0.00 0.00 179.45 178.96 3khj h SER 181 N 0.42 0.38 0.02 0.86 4.64 -1.72 -3.40 113.55 114.76 3khj h SER 181 Ca 0.11 -0.74 -0.00 0.00 -0.47 0.00 0.00 61.79 60.68 3khj h SER 181 Cb 0.07 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3khj h SER 181 CO -0.01 1.07 -0.01 0.11 -0.87 0.00 0.00 176.83 177.12 3khj h LYS 182 N -0.27 -0.03 -6.58 4.77 1.57 -1.48 -3.47 116.57 111.08 3khj h LYS 182 Ca -0.05 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.08 3khj h LYS 182 Cb 1.12 0.01 -0.16 0.00 0.08 0.00 0.00 32.23 33.28 3khj h LYS 182 CO 0.08 0.67 -0.75 0.00 -0.57 0.00 0.00 179.45 178.88 3khj s MET 183 N -2.47 1.99 -0.57 3.15 0.23 -0.04 -5.10 119.30 116.49 3khj s MET 183 Ca -0.15 -1.15 -0.16 0.00 -1.03 0.00 0.00 55.69 53.21 3khj s MET 183 Cb -0.02 -2.20 0.14 0.00 -1.53 0.00 0.00 34.83 31.22 3khj s MET 183 CO 0.54 0.48 0.54 1.21 -2.03 0.00 0.00 175.02 175.76 3khj s ASN 184 N -2.37 6.25 0.07 -1.18 2.47 -1.26 -4.33 114.94 114.59 3khj s ASN 184 Ca 0.21 -1.87 -0.25 0.00 0.42 0.00 0.00 52.86 51.37 3khj s ASN 184 Cb -0.10 -2.21 0.07 0.00 -1.45 0.00 0.00 41.25 37.55 3khj s ASN 184 CO 0.13 -0.84 0.61 -0.51 -3.72 0.00 0.00 177.10 172.77 3khj s ILE 185 N 1.50 0.01 -0.01 -5.21 1.10 -1.26 -5.08 121.20 112.24 3khj s ILE 185 Ca 0.05 -0.05 -0.30 0.00 -0.51 0.00 0.00 60.65 59.84 3khj s ILE 185 Cb -0.28 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.30 3khj s ILE 185 CO 0.02 -0.03 1.14 -1.81 -2.11 0.00 0.00 174.94 172.15 3khj s ASP 186 N -2.11 7.14 -0.23 4.50 1.01 -1.26 -4.96 116.67 120.77 3khj s ASP 186 Ca -0.04 1.82 -0.00 0.00 0.71 0.00 0.00 52.55 55.03 3khj s ASP 186 Cb -0.01 -2.57 0.03 0.00 1.01 0.00 0.00 42.92 41.39 3khj s ASP 186 CO -0.04 -0.47 -0.10 -0.69 0.21 0.00 0.00 175.17 174.09 3khj s VAL 187 N 1.58 2.62 -0.14 -1.27 1.01 -1.26 -0.73 120.40 122.20 3khj s VAL 187 Ca 0.55 -1.07 -0.16 0.00 0.00 0.00 0.00 61.98 61.30 3khj s VAL 187 Cb -0.25 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 3khj s VAL 187 CO 0.25 0.25 0.39 -0.63 0.00 0.00 0.00 175.10 175.36 3khj s ILE 188 N 1.29 5.24 -0.12 2.22 1.01 0.11 -1.28 121.20 129.69 3khj s ILE 188 Ca 0.00 0.76 0.02 0.00 0.00 0.00 0.00 60.65 61.43 3khj s ILE 188 Cb -0.16 -3.73 -0.00 0.00 0.01 0.00 0.00 42.46 38.57 3khj s ILE 188 CO -0.06 0.35 -0.20 -0.69 0.00 0.00 0.00 174.94 174.34 3khj s VAL 189 N 0.59 2.40 0.34 2.92 1.01 0.28 0.38 120.40 128.31 3khj s VAL 189 Ca 0.21 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 3khj s VAL 189 Cb -0.14 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.31 3khj s VAL 189 CO 0.07 0.55 0.62 -0.83 0.00 0.00 0.00 175.10 175.51 3khj s GLY 190 N 0.40 0.71 -0.14 4.51 0.00 -0.64 -1.34 107.32 110.82 3khj s GLY 190 Ca -0.15 -0.97 -0.05 0.00 0.00 0.00 0.00 44.72 43.55 3khj s GLY 190 CO 0.07 -0.56 0.03 -1.31 0.00 0.00 0.00 173.10 171.32 3khj s ASN 191 N -3.10 5.37 0.39 1.64 0.02 -0.79 -0.95 114.94 117.52 3khj s ASN 191 Ca 0.21 0.08 0.07 0.00 -1.02 0.00 0.00 52.86 52.20 3khj s ASN 191 Cb -0.03 -1.78 -0.08 0.00 0.02 0.00 0.00 41.25 39.39 3khj s ASN 191 CO 0.13 0.25 0.01 0.68 0.02 0.00 0.00 177.10 178.20 3khj s VAL 192 N -0.13 1.91 0.00 1.60 -7.23 -0.90 -0.33 120.40 115.33 3khj s VAL 192 Ca 0.05 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 3khj s VAL 192 Cb -0.12 -2.95 0.00 0.00 0.56 0.00 0.00 36.38 33.87 3khj s VAL 192 CO 0.02 -0.02 0.00 0.55 -0.31 0.00 0.00 175.10 175.34 3khj n VAL 193 N -0.92 0.00 -4.25 1.32 3.14 -1.26 -2.69 118.33 113.67 3khj n VAL 193 Ca -0.05 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.10 3khj n VAL 193 Cb 0.67 0.35 -0.07 0.00 -1.06 0.00 0.00 33.84 33.73 3khj n VAL 193 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 3khj s THR 194 N 0.00 3.69 0.26 1.55 -4.23 -1.26 -4.68 115.64 110.97 3khj s THR 194 Ca 0.00 -1.77 0.09 0.00 -1.18 0.00 0.00 61.69 58.83 3khj s THR 194 Cb 0.00 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.82 3khj s THR 194 CO 0.00 -0.36 1.58 1.05 -0.54 0.00 0.00 174.62 176.35 3khj h GLU 195 N 1.84 0.03 -0.52 3.99 9.09 -1.94 -2.36 114.58 124.72 3khj h GLU 195 Ca -0.45 -0.03 -0.04 0.00 0.05 0.00 0.00 59.36 58.89 3khj h GLU 195 Cb 1.24 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.32 3khj h GLU 195 CO 0.60 0.67 0.16 0.93 0.05 0.00 0.00 179.01 181.43 3khj h GLU 196 N 0.02 0.77 -0.23 1.06 3.07 -1.96 -1.72 114.58 115.59 3khj h GLU 196 Ca -0.01 -0.13 -0.18 0.00 -0.50 0.00 0.00 59.36 58.54 3khj h GLU 196 Cb 1.15 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.93 3khj h GLU 196 CO 0.09 0.67 -0.57 0.00 -1.40 0.00 0.00 179.01 177.80 3khj h ALA 197 N 1.43 0.56 -0.44 3.43 0.00 -1.94 -3.15 119.26 119.16 3khj h ALA 197 Ca 0.17 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 3khj h ALA 197 Cb 0.22 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3khj h ALA 197 CO -0.01 0.69 -0.03 1.15 0.00 0.00 0.00 179.25 181.05 3khj h THR 198 N 0.55 1.27 -0.30 0.00 2.02 -1.15 -3.12 112.91 112.17 3khj h THR 198 Ca 0.01 -1.09 0.01 0.00 0.77 0.00 0.00 66.41 66.11 3khj h THR 198 Cb 1.15 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 3khj h THR 198 CO 0.12 0.37 0.16 0.50 0.37 0.00 0.00 175.52 177.04 3khj h LYS 199 N 0.63 0.33 -0.48 6.66 1.63 -1.36 -2.86 116.57 121.12 3khj h LYS 199 Ca 0.12 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.87 3khj h LYS 199 Cb 0.53 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.07 3khj h LYS 199 CO 0.03 0.22 0.19 0.93 -3.45 0.00 0.00 179.45 177.37 3khj h GLU 200 N 0.34 0.72 -0.47 1.90 5.08 -1.56 -2.66 114.58 117.93 3khj h GLU 200 Ca 0.12 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 3khj h GLU 200 Cb 0.01 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3khj h GLU 200 CO -0.06 0.64 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.45 3khj h LEU 201 N 0.63 0.88 -0.43 1.33 3.38 -1.50 -0.82 115.31 118.78 3khj h LEU 201 Ca 0.16 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3khj h LEU 201 Cb 0.19 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3khj h LEU 201 CO -0.01 1.01 0.28 0.40 0.09 0.00 0.00 178.44 180.21 3khj h ILE 202 N 0.73 1.11 0.00 1.22 2.04 -1.51 -0.68 117.51 120.42 3khj h ILE 202 Ca 0.13 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 3khj h ILE 202 Cb 0.60 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3khj h ILE 202 CO 0.04 0.11 -0.13 -0.33 0.00 0.00 0.00 178.15 177.83 3khj h GLU 203 N 0.58 0.00 -0.62 2.37 5.08 -1.30 -2.15 114.58 118.54 3khj h GLU 203 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3khj h GLU 203 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3khj h GLU 203 CO -0.03 0.13 0.00 0.09 -1.00 0.00 0.00 179.01 178.20 3khj n ASN 204 N -3.38 3.85 -0.35 1.42 3.02 -0.33 -4.94 115.26 114.54 3khj n ASN 204 Ca -0.01 -2.35 0.00 0.00 -0.03 0.00 0.00 54.58 52.20 3khj n ASN 204 Cb 0.33 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 3khj n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3khj n GLY 205 N 0.97 0.91 3.80 7.41 0.00 -0.81 -4.55 105.19 112.93 3khj n GLY 205 Ca 0.20 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 3khj n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khj s ALA 206 N -2.57 3.61 -0.12 4.61 0.00 -0.31 -4.85 121.76 122.13 3khj s ALA 206 Ca 0.00 -0.13 0.19 0.00 0.00 0.00 0.00 51.96 52.03 3khj s ALA 206 Cb 0.00 -2.53 -0.25 0.00 0.00 0.00 0.00 23.12 20.34 3khj s ALA 206 CO 0.00 0.35 0.41 -0.25 0.00 0.00 0.00 175.76 176.27 3khj n ASP 207 N 2.19 0.20 -3.83 0.00 9.92 -0.40 -4.66 116.55 119.97 3khj n ASP 207 Ca -0.11 0.09 -0.12 0.00 -0.53 0.00 0.00 54.79 54.11 3khj n ASP 207 Cb 0.52 1.20 -0.11 0.00 -0.64 0.00 0.00 41.12 42.09 3khj n ASP 207 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3khj s GLY 208 N -4.94 -0.06 -0.14 0.44 0.00 -1.13 -2.91 107.32 98.58 3khj s GLY 208 Ca -0.08 0.22 0.01 0.00 0.00 0.00 0.00 44.72 44.87 3khj s GLY 208 CO 0.86 0.09 -0.16 -0.42 0.00 0.00 0.00 173.10 173.47 3khj s ILE 209 N -0.77 1.65 -0.24 0.90 1.01 -1.02 -0.56 121.20 122.18 3khj s ILE 209 Ca -0.09 -0.70 -0.17 0.00 0.00 0.00 0.00 60.65 59.69 3khj s ILE 209 Cb -0.05 -1.53 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 3khj s ILE 209 CO 0.01 0.47 0.46 -0.75 0.00 0.00 0.00 174.94 175.13 3khj s LYS 210 N 1.28 4.10 -0.17 2.79 2.20 -0.45 -0.68 119.74 128.82 3khj s LYS 210 Ca 0.01 0.25 -0.04 0.00 -0.36 0.00 0.00 55.97 55.83 3khj s LYS 210 Cb -0.14 -3.61 -0.03 0.00 -1.51 0.00 0.00 37.83 32.55 3khj s LYS 210 CO -0.08 -0.23 -0.02 0.08 -0.36 0.00 0.00 175.35 174.75 3khj s VAL 211 N 1.90 3.98 0.00 4.02 1.01 0.29 -2.11 120.40 129.50 3khj s VAL 211 Ca 0.20 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.86 3khj s VAL 211 Cb -0.15 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.46 3khj s VAL 211 CO 0.09 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3khj n GLY 212 N 3.72 0.72 2.79 4.51 0.00 -1.09 -0.71 105.19 115.13 3khj n GLY 212 Ca -0.17 0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 3khj n GLY 212 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khj s ILE 213 N 0.00 0.85 0.00 -0.61 1.01 -1.26 -4.76 121.20 116.42 3khj s ILE 213 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.76 3khj s ILE 213 Cb 0.00 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 41.12 3khj s ILE 213 CO 0.00 -0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.28 3khj n GLY 214 N 4.91 3.48 2.00 6.18 0.00 -1.26 -2.24 105.19 118.27 3khj n GLY 214 Ca -0.08 -0.92 -0.16 0.00 0.00 0.00 0.00 46.02 44.86 3khj n GLY 214 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3khj n PRO 215 N 0.00 -1.20 0.00 1.61 -0.04 -1.26 -4.68 135.00 129.43 3khj n PRO 215 Ca 0.00 -1.05 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 3khj n PRO 215 Cb 0.00 -0.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 3khj n PRO 215 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3khj n GLY 216 N -0.26 -2.39 3.59 0.55 0.00 -1.26 -4.49 105.19 100.92 3khj n GLY 216 Ca 0.09 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 3khj n GLY 216 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3khj s SER 217 N -1.66 1.97 -0.29 1.61 1.04 -1.26 -3.15 113.70 111.96 3khj s SER 217 Ca 0.00 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.35 3khj s SER 217 Cb 0.00 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.65 3khj s SER 217 CO 0.00 -3.65 0.00 2.30 0.98 0.00 0.00 173.24 172.87 3khj n ILE 218 N -4.58 -0.16 -4.03 -1.02 -6.64 -1.26 -4.95 119.36 96.72 3khj n ILE 218 Ca 0.08 0.00 -0.35 0.00 -1.77 0.00 0.00 62.75 60.71 3khj n ILE 218 Cb 0.53 -0.48 -0.09 0.00 -1.44 0.00 0.00 39.64 38.17 3khj n ILE 218 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3khj n THR 220 N 2.91 0.38 -0.28 0.00 -2.24 -1.26 -4.70 114.28 109.10 3khj n THR 220 Ca -0.18 -0.69 0.09 0.00 -2.27 0.00 0.00 64.05 61.01 3khj n THR 220 Cb 0.53 0.87 0.33 0.00 -2.10 0.00 0.00 70.33 69.97 3khj n THR 220 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3khj h THR 221 N 0.89 0.91 -0.61 4.28 2.02 -1.88 0.81 112.91 119.32 3khj h THR 221 Ca 0.00 -0.27 -0.08 0.00 0.77 0.00 0.00 66.41 66.83 3khj h THR 221 Cb 0.35 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 3khj h THR 221 CO 0.00 0.15 0.07 0.03 0.37 0.00 0.00 175.52 176.14 3khj h ARG 222 N 0.80 1.03 0.11 6.66 3.08 -1.84 -1.49 114.38 122.73 3khj h ARG 222 Ca 0.43 -0.29 -0.22 0.00 0.07 0.00 0.00 59.98 59.96 3khj h ARG 222 Cb 0.54 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3khj h ARG 222 CO -0.19 0.98 -1.10 0.82 -1.07 0.00 0.00 179.97 179.41 3khj h ILE 223 N 0.93 1.24 -0.01 2.04 1.08 -1.47 -2.37 117.51 118.95 3khj h ILE 223 Ca 0.18 -2.43 -0.11 0.00 -0.39 0.00 0.00 64.86 62.11 3khj h ILE 223 Cb 0.47 2.89 0.01 0.00 -3.07 0.00 0.00 36.82 37.12 3khj h ILE 223 CO 0.02 0.67 -0.42 0.58 -0.69 0.00 0.00 178.15 178.31 3khj h VAL 224 N -0.43 1.47 0.00 1.67 2.07 0.46 -3.38 116.25 118.11 3khj h VAL 224 Ca -0.23 -1.96 -0.13 0.00 0.82 0.00 0.00 66.70 65.20 3khj h VAL 224 Cb 1.63 2.61 -0.02 0.00 -1.52 0.00 0.00 31.29 33.99 3khj h VAL 224 CO 0.07 0.56 -1.90 0.00 0.02 0.00 0.00 177.57 176.31 3khj n ALA 225 N -2.55 2.17 -1.09 1.67 0.00 -0.65 -4.99 120.51 115.07 3khj n ALA 225 Ca -0.10 -0.68 -0.03 0.00 0.00 0.00 0.00 53.44 52.63 3khj n ALA 225 Cb 0.58 -0.35 -0.01 0.00 0.00 0.00 0.00 19.45 19.66 3khj n ALA 225 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3khj n GLY 226 N 1.77 0.62 3.58 0.00 0.00 -0.69 -5.01 105.19 105.46 3khj n GLY 226 Ca -0.13 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 3khj n GLY 226 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khj s VAL 227 N -2.03 3.63 0.00 1.61 1.01 -1.16 -4.95 120.40 118.51 3khj s VAL 227 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.29 3khj s VAL 227 Cb 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.84 3khj s VAL 227 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3khj n GLY 228 N 1.77 3.80 2.94 4.51 0.00 -1.26 -3.77 105.19 113.18 3khj n GLY 228 Ca -0.16 -1.15 -0.23 0.00 0.00 0.00 0.00 46.02 44.48 3khj n GLY 228 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khj s VAL 229 N -2.00 0.82 0.30 1.61 1.01 -0.95 -5.01 120.40 116.19 3khj s VAL 229 Ca 0.00 -0.27 -0.27 0.00 0.00 0.00 0.00 61.98 61.44 3khj s VAL 229 Cb 0.00 -0.81 -0.14 0.00 0.00 0.00 0.00 36.38 35.43 3khj s VAL 229 CO 0.00 0.30 0.90 -2.65 0.00 0.00 0.00 175.10 173.64 3khj n PRO 230 N 4.15 1.10 -0.15 2.72 -0.02 -1.26 -4.63 135.00 136.89 3khj n PRO 230 Ca -0.21 0.39 -0.08 0.00 -2.02 0.00 0.00 63.50 61.58 3khj n PRO 230 Cb 0.51 -1.72 0.01 0.00 -0.02 0.00 0.00 33.50 32.28 3khj n PRO 230 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3khj h GLN 231 N 1.69 0.63 -0.02 -0.52 5.75 -1.94 -0.19 115.11 120.52 3khj h GLN 231 Ca -0.39 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.05 3khj h GLN 231 Cb 1.36 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.77 3khj h GLN 231 CO 0.59 0.48 -0.02 0.82 -2.65 0.00 0.00 178.83 178.05 3khj h ILE 232 N 0.61 0.94 -0.65 2.39 1.08 -1.77 -0.32 117.51 119.79 3khj h ILE 232 Ca 0.16 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.68 3khj h ILE 232 Cb 0.03 0.94 -0.05 0.00 -3.07 0.00 0.00 36.82 34.67 3khj h ILE 232 CO -0.03 0.00 0.37 0.74 -0.69 0.00 0.00 178.15 178.54 3khj h THR 233 N -0.03 0.99 -0.76 -0.27 2.02 -1.30 -0.84 112.91 112.73 3khj h THR 233 Ca 0.01 -0.24 0.03 0.00 0.77 0.00 0.00 66.41 66.99 3khj h THR 233 Cb 0.05 0.24 -0.05 0.00 -1.74 0.00 0.00 68.15 66.66 3khj h THR 233 CO -0.03 0.13 0.48 0.00 0.37 0.00 0.00 175.52 176.47 3khj h ALA 234 N 1.32 0.99 -0.24 6.16 0.00 -0.58 -0.82 119.26 126.09 3khj h ALA 234 Ca 0.28 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 3khj h ALA 234 Cb 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3khj h ALA 234 CO -0.16 0.29 -0.17 0.82 0.00 0.00 0.00 179.25 180.03 3khj h ILE 235 N 0.95 1.31 -0.85 0.00 2.04 -0.77 -2.37 117.51 117.82 3khj h ILE 235 Ca 0.30 -1.29 0.09 0.00 1.00 0.00 0.00 64.86 64.96 3khj h ILE 235 Cb -0.00 1.64 -0.07 0.00 -0.74 0.00 0.00 36.82 37.64 3khj h ILE 235 CO -0.10 0.40 0.50 -0.33 0.00 0.00 0.00 178.15 178.61 3khj h GLU 236 N 0.23 0.83 -0.06 2.37 5.08 -0.75 0.28 114.58 122.56 3khj h GLU 236 Ca 0.05 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.12 3khj h GLU 236 Cb 0.69 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.77 3khj h GLU 236 CO 0.04 0.55 -0.90 0.87 -1.00 0.00 0.00 179.01 178.58 3khj h LYS 237 N 0.86 0.62 0.10 2.33 1.57 -1.17 -3.01 116.57 117.86 3khj h LYS 237 Ca 0.40 -0.59 -0.28 0.00 -1.87 0.00 0.00 60.65 58.31 3khj h LYS 237 Cb 0.32 0.15 0.02 0.00 0.08 0.00 0.00 32.23 32.80 3khj h LYS 237 CO -0.23 1.20 -1.19 0.00 -0.57 0.00 0.00 179.45 178.67 3khj h SER 239 N 0.24 0.00 -0.22 0.00 4.64 -0.57 -2.04 113.55 115.59 3khj h SER 239 Ca -0.16 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.11 3khj h SER 239 Cb 1.86 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.93 3khj h SER 239 CO 0.22 0.02 -0.01 0.77 -0.87 0.00 0.00 176.83 176.97 3khj h SER 240 N 0.00 0.49 0.10 4.97 4.64 -1.58 -0.38 113.55 121.78 3khj h SER 240 Ca -0.00 -0.09 -0.28 0.00 -0.47 0.00 0.00 61.79 60.95 3khj h SER 240 Cb 0.75 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 3khj h SER 240 CO 0.00 0.56 -1.46 0.58 -0.87 0.00 0.00 176.83 175.64 3khj h VAL 241 N 0.50 0.96 -0.02 0.95 2.07 -1.66 -3.37 116.25 115.68 3khj h VAL 241 Ca 0.11 -2.36 -0.08 0.00 0.82 0.00 0.00 66.70 65.18 3khj h VAL 241 Cb 0.33 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 3khj h VAL 241 CO 0.01 0.68 -0.39 0.00 0.02 0.00 0.00 177.57 177.89 3khj h ALA 242 N -0.09 1.32 0.00 1.67 0.00 -1.31 -2.61 119.26 118.24 3khj h ALA 242 Ca -0.33 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.14 3khj h ALA 242 Cb 1.73 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 3khj h ALA 242 CO 0.02 0.50 -0.38 0.66 0.00 0.00 0.00 179.25 180.06 3khj h SER 243 N 0.03 0.00 -0.34 0.00 4.64 -1.26 -2.93 113.55 113.69 3khj h SER 243 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3khj h SER 243 Cb 0.70 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 3khj h SER 243 CO 0.05 0.38 -0.10 0.11 -0.87 0.00 0.00 176.83 176.40 3khj h LYS 244 N 0.00 0.76 0.00 4.77 1.57 -1.62 -3.43 116.57 118.62 3khj h LYS 244 Ca -0.00 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3khj h LYS 244 Cb 1.04 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.28 3khj h LYS 244 CO 0.05 0.83 0.00 1.19 -0.57 0.00 0.00 179.45 180.95 3khj n PHE 245 N -4.17 -1.20 1.09 -1.35 3.01 -1.12 -5.02 117.46 108.71 3khj n PHE 245 Ca 0.01 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.59 3khj n PHE 245 Cb 0.35 0.00 0.15 0.00 -0.01 0.00 0.00 39.48 39.97 3khj n PHE 245 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3khj n GLY 246 N 5.00 -0.40 3.69 1.37 0.00 -1.25 -4.94 105.19 108.66 3khj n GLY 246 Ca 0.00 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 3khj n GLY 246 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khj s ILE 247 N -2.57 4.24 0.58 -0.61 -1.09 -1.15 -4.86 121.20 115.75 3khj s ILE 247 Ca 0.19 1.56 -0.17 0.00 -2.23 0.00 0.00 60.65 60.00 3khj s ILE 247 Cb 0.18 -4.01 -0.04 0.00 -1.58 0.00 0.00 42.46 37.02 3khj s ILE 247 CO 0.59 -0.01 1.10 -2.16 -1.23 0.00 0.00 174.94 173.23 3khj s PRO 248 N 2.30 3.23 -0.14 2.79 0.04 -1.26 -4.37 135.00 137.58 3khj s PRO 248 Ca 0.56 1.42 -0.02 0.00 0.04 0.00 0.00 61.00 63.00 3khj s PRO 248 Cb -0.25 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 3khj s PRO 248 CO 0.22 -0.91 -0.07 0.42 0.04 0.00 0.00 177.00 176.69 3khj s ILE 249 N -2.13 3.59 -0.28 0.56 -1.09 -1.26 -2.45 121.20 118.14 3khj s ILE 249 Ca 0.68 -0.47 -0.10 0.00 -2.23 0.00 0.00 60.65 58.53 3khj s ILE 249 Cb -0.20 -2.55 -0.04 0.00 -1.58 0.00 0.00 42.46 38.09 3khj s ILE 249 CO 0.33 0.51 0.16 -0.63 -1.23 0.00 0.00 174.94 174.08 3khj s ILE 250 N 0.29 5.00 -0.49 2.92 1.09 0.14 0.05 121.20 130.20 3khj s ILE 250 Ca -0.06 -0.02 -0.24 0.00 -1.10 0.00 0.00 60.65 59.23 3khj s ILE 250 Cb -0.15 -3.41 0.03 0.00 -1.06 0.00 0.00 42.46 37.87 3khj s ILE 250 CO 0.04 0.22 0.89 0.00 -0.10 0.00 0.00 174.94 175.99 3khj s ALA 251 N 1.71 3.22 -0.22 9.38 0.00 0.13 -0.55 121.76 135.43 3khj s ALA 251 Ca 0.06 -1.03 -0.07 0.00 0.00 0.00 0.00 51.96 50.93 3khj s ALA 251 Cb -0.16 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 3khj s ALA 251 CO 0.09 -2.15 0.05 0.34 0.00 0.00 0.00 175.76 174.09 3khj s ASP 252 N 2.46 5.21 0.01 0.00 2.15 0.11 -0.64 116.67 125.96 3khj s ASP 252 Ca 0.32 -0.12 0.00 0.00 0.43 0.00 0.00 52.55 53.18 3khj s ASP 252 Cb -0.12 -1.91 0.00 0.00 -0.30 0.00 0.00 42.92 40.59 3khj s ASP 252 CO 0.23 0.05 0.00 0.61 -0.17 0.00 0.00 175.17 175.88 3khj n GLY 253 N 4.36 -2.64 0.72 2.66 0.00 -1.19 -4.37 105.19 104.74 3khj n GLY 253 Ca -0.16 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3khj n GLY 253 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khj n GLY 254 N -1.98 1.83 3.55 -0.02 0.00 -1.26 -4.57 105.19 102.73 3khj n GLY 254 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3khj n GLY 254 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khj s ILE 255 N -2.37 3.65 -0.17 -0.61 -1.09 -1.26 -4.77 121.20 114.59 3khj s ILE 255 Ca 0.00 0.38 0.10 0.00 -2.23 0.00 0.00 60.65 58.89 3khj s ILE 255 Cb 0.00 -4.73 -0.23 0.00 -1.58 0.00 0.00 42.46 35.92 3khj s ILE 255 CO 0.00 -1.67 0.16 0.54 -1.23 0.00 0.00 174.94 172.74 3khj n ARG 256 N 9.33 0.68 -4.50 2.79 1.74 -1.26 -4.75 116.66 120.69 3khj n ARG 256 Ca 0.06 0.13 -0.24 0.00 -0.77 0.00 0.00 57.85 57.03 3khj n ARG 256 Cb 0.50 -1.60 -0.10 0.00 -1.02 0.00 0.00 32.46 30.24 3khj n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3khj s TYR 257 N -2.53 1.94 0.35 -1.55 1.51 -1.26 -4.99 117.35 110.82 3khj s TYR 257 Ca -0.17 -1.03 0.18 0.00 -1.01 0.00 0.00 57.07 55.05 3khj s TYR 257 Cb 0.07 -1.30 0.93 0.00 -0.11 0.00 0.00 41.96 41.55 3khj s TYR 257 CO 0.76 -0.03 1.89 0.66 -1.11 0.00 0.00 175.55 177.72 3khj h SER 258 N 1.95 0.00 0.52 2.29 4.64 -1.92 -2.72 113.55 118.32 3khj h SER 258 Ca -0.40 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.85 3khj h SER 258 Cb 1.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 3khj h SER 258 CO 0.67 0.29 -0.34 1.23 -0.87 0.00 0.00 176.83 177.81 3khj h GLY 259 N 1.18 0.00 1.94 -0.77 0.00 -1.92 -3.10 103.07 100.40 3khj h GLY 259 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3khj h GLY 259 CO 0.04 0.00 -0.31 -0.55 0.00 0.00 0.00 176.54 175.72 3khj h ASP 260 N 0.00 0.07 -0.11 0.19 3.32 -1.89 -2.77 116.42 115.24 3khj h ASP 260 Ca -0.00 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 3khj h ASP 260 Cb 0.69 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.22 3khj h ASP 260 CO 0.04 0.38 0.05 0.40 -1.72 0.00 0.00 179.24 178.39 3khj h ILE 261 N 0.07 1.12 -1.00 0.35 2.04 -1.65 -2.06 117.51 116.37 3khj h ILE 261 Ca 0.01 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.55 3khj h ILE 261 Cb 0.58 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 3khj h ILE 261 CO 0.04 0.11 0.66 1.23 0.00 0.00 0.00 178.15 180.19 3khj h GLY 262 N 0.04 1.44 1.06 5.37 0.00 -1.62 -1.45 103.07 107.90 3khj h GLY 262 Ca 0.04 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 3khj h GLY 262 CO -0.00 0.47 0.10 0.50 0.00 0.00 0.00 176.54 177.61 3khj h LYS 263 N 1.31 1.07 -0.43 4.80 1.57 -1.41 -1.72 116.57 121.77 3khj h LYS 263 Ca 0.38 -0.29 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 3khj h LYS 263 Cb -0.08 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 3khj h LYS 263 CO -0.10 0.99 -0.08 0.00 -0.57 0.00 0.00 179.45 179.68 3khj h ALA 264 N 1.04 0.59 -0.20 3.86 0.00 -0.91 -3.03 119.26 120.60 3khj h ALA 264 Ca 0.20 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 3khj h ALA 264 Cb 0.44 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3khj h ALA 264 CO 0.01 0.45 -0.38 -0.07 0.00 0.00 0.00 179.25 179.26 3khj h LEU 265 N 0.64 0.68 -2.00 0.00 3.38 -1.23 -2.97 115.31 113.81 3khj h LEU 265 Ca 0.11 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 3khj h LEU 265 Cb 0.61 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3khj h LEU 265 CO 0.04 1.10 -0.07 0.00 0.09 0.00 0.00 178.44 179.60 3khj h ALA 266 N 0.60 1.70 0.00 1.53 0.00 -1.36 -2.58 119.26 119.16 3khj h ALA 266 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3khj h ALA 266 Cb 0.98 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3khj h ALA 266 CO 0.09 0.09 -0.12 0.28 0.00 0.00 0.00 179.25 179.58 3khj h VAL 267 N 0.00 0.00 0.00 0.00 2.07 -1.52 -3.41 116.25 113.39 3khj h VAL 267 Ca -0.00 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.79 3khj h VAL 267 Cb 0.14 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3khj h VAL 267 CO 0.01 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.21 3khj n GLY 268 N 1.22 -0.99 3.85 2.17 0.00 -0.98 -4.50 105.19 105.96 3khj n GLY 268 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3khj n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khj s ALA 269 N 0.00 3.64 -0.10 4.61 0.00 -1.12 -4.59 121.76 124.19 3khj s ALA 269 Ca 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 51.96 51.68 3khj s ALA 269 Cb 0.00 -2.41 -0.26 0.00 0.00 0.00 0.00 23.12 20.45 3khj s ALA 269 CO 0.00 0.50 0.45 0.77 0.00 0.00 0.00 175.76 177.48 3khj h SER 270 N 3.58 0.36 -4.70 0.00 0.02 -0.69 -3.40 113.55 108.72 3khj h SER 270 Ca -0.49 -0.79 -0.21 0.00 -0.84 0.00 0.00 61.79 59.47 3khj h SER 270 Cb 1.19 -0.12 -0.15 0.00 0.14 0.00 0.00 62.40 63.47 3khj h SER 270 CO 0.66 1.70 -0.69 -0.55 -1.14 0.00 0.00 176.83 176.81 3khj s SER 271 N -6.89 1.04 -0.14 3.07 0.15 -0.76 -4.70 113.70 105.47 3khj s SER 271 Ca -0.19 -1.00 0.01 0.00 0.70 0.00 0.00 55.95 55.47 3khj s SER 271 Cb 0.07 0.11 0.02 0.00 -1.71 0.00 0.00 66.02 64.51 3khj s SER 271 CO 0.79 -0.49 -0.15 -0.69 1.20 0.00 0.00 173.24 173.90 3khj s VAL 272 N -3.66 1.61 -0.25 4.45 1.01 -0.74 0.17 120.40 122.98 3khj s VAL 272 Ca 0.11 -0.67 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 3khj s VAL 272 Cb 0.06 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 3khj s VAL 272 CO -0.06 0.46 0.57 -0.32 0.00 0.00 0.00 175.10 175.76 3khj s MET 273 N 1.32 4.10 0.05 2.72 1.75 0.18 -0.77 119.30 128.66 3khj s MET 273 Ca 0.02 0.43 0.08 0.00 -1.25 0.00 0.00 55.69 54.97 3khj s MET 273 Cb -0.13 -3.65 -0.03 0.00 2.84 0.00 0.00 34.83 33.86 3khj s MET 273 CO -0.08 -0.37 -0.21 0.96 -0.65 0.00 0.00 175.02 174.67 3khj s ILE 274 N 2.36 2.60 0.08 10.11 -4.36 0.22 -3.14 121.20 129.06 3khj s ILE 274 Ca 0.24 -1.28 0.00 0.00 -0.26 0.00 0.00 60.65 59.35 3khj s ILE 274 Cb -0.16 -2.08 0.00 0.00 1.25 0.00 0.00 42.46 41.47 3khj s ILE 274 CO 0.09 0.32 0.00 0.61 0.24 0.00 0.00 174.94 176.20 3khj n GLY 275 N 1.55 -0.12 0.28 6.27 0.00 -1.26 -0.72 105.19 111.19 3khj n GLY 275 Ca -0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 3khj n GLY 275 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3khj h SER 276 N 0.00 0.57 0.38 1.61 4.64 -1.96 -1.51 113.55 117.28 3khj h SER 276 Ca 0.00 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3khj h SER 276 Cb 0.00 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 3khj h SER 276 CO 0.00 0.61 0.00 2.30 -0.87 0.00 0.00 176.83 178.87 3khj n ILE 277 N -4.28 0.48 0.30 0.95 -5.35 -1.26 -1.82 119.36 108.38 3khj n ILE 277 Ca 0.02 0.12 0.04 0.00 -0.27 0.00 0.00 62.75 62.66 3khj n ILE 277 Cb 0.24 -0.81 0.02 0.00 -1.74 0.00 0.00 39.64 37.35 3khj n ILE 277 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3khj n LEU 278 N -1.31 1.47 0.07 7.28 4.77 -0.64 -4.76 117.00 123.89 3khj n LEU 278 Ca 0.08 -0.95 -0.01 0.00 -0.03 0.00 0.00 56.01 55.11 3khj n LEU 278 Cb 0.16 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.53 3khj n LEU 278 CO 0.14 0.30 0.78 0.00 -1.33 0.00 0.00 177.39 177.28 3khj h ALA 279 N 1.37 1.27 -0.71 -1.18 0.00 -0.63 -3.03 119.26 116.36 3khj h ALA 279 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3khj h ALA 279 Cb 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3khj h ALA 279 CO 0.00 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.15 3khj n GLY 280 N -0.54 2.46 3.88 0.00 0.00 -1.26 -4.87 105.19 104.86 3khj n GLY 280 Ca -0.01 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 3khj n GLY 280 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3khj s THR 281 N -1.24 4.27 0.25 2.61 -4.23 -1.14 0.29 115.64 116.45 3khj s THR 281 Ca 0.49 0.58 -0.04 0.00 -1.18 0.00 0.00 61.69 61.53 3khj s THR 281 Cb 0.27 -3.71 0.24 0.00 1.34 0.00 0.00 72.50 70.64 3khj s THR 281 CO 0.31 -0.89 1.87 -0.08 -0.54 0.00 0.00 174.62 175.29 3khj h GLU 282 N -0.33 1.04 0.00 3.99 4.57 -1.44 -2.83 114.58 119.59 3khj h GLU 282 Ca -0.45 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 3khj h GLU 282 Cb 1.22 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 3khj h GLU 282 CO 0.62 0.69 -0.01 0.39 -1.18 0.00 0.00 179.01 179.52 3khj n GLU 283 N -4.56 0.01 -2.37 1.92 4.71 -1.26 -4.83 120.64 114.25 3khj n GLU 283 Ca 0.14 0.01 -0.33 0.00 -0.01 0.00 0.00 57.16 56.96 3khj n GLU 283 Cb 0.17 -1.51 -0.02 0.00 -1.01 0.00 0.00 31.44 29.07 3khj n GLU 283 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3khj s SER 284 N -3.05 6.22 0.67 1.62 1.04 -1.07 -2.78 113.70 116.36 3khj s SER 284 Ca 0.14 1.83 -0.15 0.00 0.48 0.00 0.00 55.95 58.24 3khj s SER 284 Cb 0.19 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.77 3khj s SER 284 CO 0.54 -0.86 1.15 -2.84 0.98 0.00 0.00 173.24 172.21 3khj s PRO 285 N -3.62 2.61 0.00 4.02 0.02 -1.26 -4.95 135.00 131.82 3khj s PRO 285 Ca 0.65 1.56 0.00 0.00 0.02 0.00 0.00 61.00 63.22 3khj s PRO 285 Cb -0.15 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.46 3khj s PRO 285 CO 0.27 -1.43 0.00 0.41 -0.33 0.00 0.00 177.00 175.92 3khj n GLY 286 N -0.10 3.24 3.78 0.52 0.00 -1.26 -4.82 105.19 106.55 3khj n GLY 286 Ca 0.12 -1.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.33 3khj n GLY 286 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3khj s GLU 287 N -5.20 2.62 0.00 1.61 -1.05 -0.94 -4.77 118.70 110.98 3khj s GLU 287 Ca 0.00 1.22 -0.16 0.00 -0.15 0.00 0.00 54.97 55.88 3khj s GLU 287 Cb 0.00 -1.94 -0.06 0.00 -0.44 0.00 0.00 34.13 31.69 3khj s GLU 287 CO 0.00 -1.37 0.46 0.15 0.95 0.00 0.00 175.26 175.45 3khj s LYS 288 N -4.56 4.05 0.09 -4.83 1.02 -1.26 -0.68 119.74 113.56 3khj s LYS 288 Ca 0.63 0.50 0.07 0.00 0.02 0.00 0.00 55.97 57.19 3khj s LYS 288 Cb -0.18 -3.25 -0.03 0.00 -0.52 0.00 0.00 37.83 33.85 3khj s LYS 288 CO 0.49 0.61 -0.19 -2.00 -0.92 0.00 0.00 175.35 173.34 3khj s GLU 289 N -0.86 1.08 -0.31 1.68 2.12 0.22 -4.87 118.70 117.76 3khj s GLU 289 Ca 0.25 -1.07 0.02 0.00 0.36 0.00 0.00 54.97 54.53 3khj s GLU 289 Cb -0.17 -1.26 0.09 0.00 0.26 0.00 0.00 34.13 33.04 3khj s GLU 289 CO 0.14 0.30 0.02 -1.17 -0.54 0.00 0.00 175.26 174.01 3khj s LEU 290 N -1.75 3.76 -0.20 2.70 0.20 -1.26 0.39 118.68 122.51 3khj s LEU 290 Ca 0.05 -1.79 -0.06 0.00 0.69 0.00 0.00 54.13 53.01 3khj s LEU 290 Cb -0.10 -1.40 -0.03 0.00 -0.43 0.00 0.00 46.19 44.23 3khj s LEU 290 CO 0.03 -0.34 0.03 0.27 -0.29 0.00 0.00 176.35 176.06 3khj s ILE 291 N 1.14 4.31 0.00 6.68 -4.36 -1.08 -4.99 121.20 122.91 3khj s ILE 291 Ca 0.05 -0.19 0.00 0.00 -0.26 0.00 0.00 60.65 60.25 3khj s ILE 291 Cb -0.19 -2.96 0.00 0.00 1.25 0.00 0.00 42.46 40.56 3khj s ILE 291 CO -0.10 0.42 0.00 0.61 0.24 0.00 0.00 174.94 176.11 3khj n GLY 292 N 4.11 2.70 0.09 6.27 0.00 -1.26 -2.43 105.19 114.67 3khj n GLY 292 Ca -0.17 0.32 -0.07 0.00 0.00 0.00 0.00 46.02 46.10 3khj n GLY 292 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3khj n ASP 293 N 8.68 0.36 -4.93 1.61 5.75 -1.26 -4.99 116.55 121.76 3khj n ASP 293 Ca 0.00 0.17 -0.28 0.00 -0.01 0.00 0.00 54.79 54.67 3khj n ASP 293 Cb 0.00 0.63 -0.03 0.00 -1.03 0.00 0.00 41.12 40.69 3khj n ASP 293 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3khj s THR 294 N -2.62 5.35 -0.10 2.12 -4.23 -1.02 -5.11 115.64 110.03 3khj s THR 294 Ca -0.07 -0.55 -0.09 0.00 -1.18 0.00 0.00 61.69 59.79 3khj s THR 294 Cb 0.07 -3.69 -0.04 0.00 1.34 0.00 0.00 72.50 70.18 3khj s THR 294 CO 0.83 0.01 0.19 -0.69 -0.54 0.00 0.00 174.62 174.42 3khj s VAL 295 N -1.64 5.42 0.15 2.29 1.01 -1.26 -2.62 120.40 123.74 3khj s VAL 295 Ca 0.35 0.33 0.05 0.00 0.00 0.00 0.00 61.98 62.71 3khj s VAL 295 Cb -0.12 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 3khj s VAL 295 CO 0.28 0.61 -0.11 -0.31 0.00 0.00 0.00 175.10 175.57 3khj s TYR 296 N -1.01 1.30 -0.38 5.22 1.51 0.16 -0.04 117.35 124.11 3khj s TYR 296 Ca 0.17 -0.72 -0.06 0.00 -1.01 0.00 0.00 57.07 55.45 3khj s TYR 296 Cb -0.13 -0.66 0.07 0.00 -0.11 0.00 0.00 41.96 41.14 3khj s TYR 296 CO 0.06 0.10 0.18 0.15 -1.11 0.00 0.00 175.55 174.93 3khj s LYS 297 N -3.57 2.43 0.20 -0.62 1.02 -0.71 0.69 119.74 119.19 3khj s LYS 297 Ca 0.16 -1.47 -0.21 0.00 0.02 0.00 0.00 55.97 54.47 3khj s LYS 297 Cb 0.01 -3.58 -0.08 0.00 -0.52 0.00 0.00 37.83 33.66 3khj s LYS 297 CO 0.01 -0.88 0.73 -0.47 -0.92 0.00 0.00 175.35 173.82 3khj s TYR 298 N 1.33 3.71 0.22 3.18 5.04 0.14 -2.98 117.35 127.99 3khj s TYR 298 Ca 0.02 1.43 0.00 0.00 -2.44 0.00 0.00 57.07 56.09 3khj s TYR 298 Cb -0.22 -2.64 0.00 0.00 0.35 0.00 0.00 41.96 39.45 3khj s TYR 298 CO 0.00 0.39 0.00 0.98 -1.34 0.00 0.00 175.55 175.58 3khj n TYR 299 N 0.97 -2.74 -2.68 4.97 9.36 -1.26 -2.21 117.16 123.57 3khj n TYR 299 Ca -0.04 0.63 -0.04 0.00 3.32 0.00 0.00 57.90 61.77 3khj n TYR 299 Cb 0.51 1.65 0.04 0.00 -0.63 0.00 0.00 39.34 40.91 3khj n TYR 299 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 3khj n ARG 334 N -3.03 0.15 -4.06 2.98 3.00 -1.16 -5.06 116.66 109.48 3khj n ARG 334 Ca 0.00 -0.87 -0.09 0.00 -0.00 0.00 0.00 57.85 56.88 3khj n ARG 334 Cb 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 32.46 32.27 3khj n ARG 334 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3khj s VAL 335 N 0.76 0.09 0.63 5.15 0.11 -1.25 -4.97 120.40 120.93 3khj s VAL 335 Ca 0.25 -1.68 -0.19 0.00 -2.93 0.00 0.00 61.98 57.43 3khj s VAL 335 Cb 0.14 -1.93 -0.02 0.00 -1.53 0.00 0.00 36.38 33.05 3khj s VAL 335 CO -0.10 -0.42 1.31 -1.59 -3.33 0.00 0.00 175.10 170.96 3khj s LYS 336 N -4.01 2.63 0.13 1.54 0.00 -1.26 -1.73 119.74 117.04 3khj s LYS 336 Ca 0.20 2.10 -0.31 0.00 0.00 0.00 0.00 55.97 57.96 3khj s LYS 336 Cb 0.06 -1.90 -0.09 0.00 0.00 0.00 0.00 37.83 35.90 3khj s LYS 336 CO 0.00 -1.55 1.45 -0.47 0.00 0.00 0.00 175.35 174.79 3khj s TYR 337 N -1.37 3.17 -1.08 1.78 5.04 0.94 -4.42 117.35 121.41 3khj s TYR 337 Ca 0.81 0.83 0.12 0.00 -2.44 0.00 0.00 57.07 56.40 3khj s TYR 337 Cb -0.38 -3.77 0.36 0.00 0.35 0.00 0.00 41.96 38.51 3khj s TYR 337 CO 0.41 -2.76 1.30 1.17 -1.34 0.00 0.00 175.55 174.33 3khj n LYS 338 N 3.98 2.84 0.00 4.97 4.81 0.15 -4.97 118.16 129.94 3khj n LYS 338 Ca 0.12 -2.14 0.00 0.00 -0.87 0.00 0.00 58.31 55.42 3khj n LYS 338 Cb 0.41 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 34.15 3khj n LYS 338 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3khj n GLY 339 N 0.68 -1.10 3.81 3.14 0.00 -1.26 -4.81 105.19 105.65 3khj n GLY 339 Ca 0.13 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 3khj n GLY 339 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3khj s GLU 340 N 0.00 4.34 0.45 1.61 2.12 -1.26 -1.10 118.70 124.87 3khj s GLU 340 Ca 0.00 1.10 0.18 0.00 0.36 0.00 0.00 54.97 56.60 3khj s GLU 340 Cb 0.00 -2.58 1.06 0.00 0.26 0.00 0.00 34.13 32.87 3khj s GLU 340 CO 0.00 0.19 1.97 0.00 -0.54 0.00 0.00 175.26 176.88 3khj h MET 341 N 2.72 0.00 -0.76 4.30 -0.00 -1.93 -3.00 114.93 116.26 3khj h MET 341 Ca -0.48 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.18 3khj h MET 341 Cb 1.19 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.75 3khj h MET 341 CO 0.64 0.21 0.32 1.49 -0.00 0.00 0.00 176.91 179.57 3khj h GLU 342 N 0.00 1.13 0.00 -0.10 4.81 -1.97 -1.18 114.58 117.26 3khj h GLU 342 Ca -0.00 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 58.99 3khj h GLU 342 Cb 0.42 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3khj h GLU 342 CO 0.03 0.91 -0.20 0.78 -0.73 0.00 0.00 179.01 179.80 3khj h GLY 343 N 1.09 0.00 0.02 1.92 0.00 -1.93 -0.60 103.07 103.58 3khj h GLY 343 Ca 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.58 3khj h GLY 343 CO -0.02 0.00 -0.01 -2.08 0.00 0.00 0.00 176.54 174.43 3khj h VAL 344 N 0.00 1.78 -0.41 4.60 2.07 -1.48 -3.23 116.25 119.58 3khj h VAL 344 Ca -0.00 -2.32 -0.07 0.00 0.82 0.00 0.00 66.70 65.13 3khj h VAL 344 Cb 0.50 3.36 -0.02 0.00 -1.52 0.00 0.00 31.29 33.62 3khj h VAL 344 CO 0.03 0.60 -0.04 0.58 0.02 0.00 0.00 177.57 178.76 3khj h VAL 345 N -0.98 1.23 -0.60 2.57 2.07 -1.21 -2.57 116.25 116.77 3khj h VAL 345 Ca -0.00 -0.99 0.07 0.00 0.82 0.00 0.00 66.70 66.60 3khj h VAL 345 Cb 0.99 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 3khj h VAL 345 CO 0.00 0.34 0.29 0.22 0.02 0.00 0.00 177.57 178.44 3khj h TYR 346 N 0.64 0.52 -0.48 1.57 3.20 -1.24 0.80 116.97 121.98 3khj h TYR 346 Ca 0.12 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.91 3khj h TYR 346 Cb 0.46 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 3khj h TYR 346 CO 0.02 0.21 -0.15 0.37 -1.64 0.00 0.00 178.16 176.98 3khj h GLN 347 N 0.53 0.92 -0.20 1.82 -0.00 -1.52 0.08 115.11 116.75 3khj h GLN 347 Ca 0.28 -0.35 -0.03 0.00 -0.00 0.00 0.00 58.65 58.56 3khj h GLN 347 Cb 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.66 3khj h GLN 347 CO -0.22 1.00 0.02 -0.07 0.00 0.00 0.00 178.83 179.56 3khj h LEU 348 N 0.81 0.32 -0.52 -2.39 3.38 -1.03 0.91 115.31 116.80 3khj h LEU 348 Ca 0.12 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 3khj h LEU 348 Cb 0.69 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3khj h LEU 348 CO 0.05 0.52 0.17 0.58 0.09 0.00 0.00 178.44 179.86 3khj h VAL 349 N 0.11 1.23 -0.78 1.22 2.07 -0.84 -0.97 116.25 118.29 3khj h VAL 349 Ca 0.06 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 3khj h VAL 349 Cb 0.34 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3khj h VAL 349 CO 0.01 0.28 0.41 1.23 0.02 0.00 0.00 177.57 179.51 3khj h GLY 350 N 0.71 1.17 1.74 2.17 0.00 -0.88 -0.21 103.07 107.78 3khj h GLY 350 Ca 0.17 -0.54 -0.13 0.00 0.00 0.00 0.00 47.33 46.83 3khj h GLY 350 CO -0.01 0.52 -0.50 -1.33 0.00 0.00 0.00 176.54 175.23 3khj h GLY 351 N 1.13 0.31 0.68 4.60 0.00 -0.60 -2.00 103.07 107.19 3khj h GLY 351 Ca 0.27 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 3khj h GLY 351 CO -0.04 0.30 -0.06 -2.00 0.00 0.00 0.00 176.54 174.73 3khj h LEU 352 N 0.22 0.22 -1.05 3.11 6.46 -0.76 -2.55 115.31 120.97 3khj h LEU 352 Ca 0.01 -0.44 0.04 0.00 -0.12 0.00 0.00 57.88 57.37 3khj h LEU 352 Cb 0.96 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 40.77 3khj h LEU 352 CO 0.08 0.62 0.64 0.03 -0.62 0.00 0.00 178.44 179.18 3khj h ARG 353 N -0.17 1.17 -0.85 1.25 3.08 -1.03 -1.65 114.38 116.20 3khj h ARG 353 Ca 0.02 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 3khj h ARG 353 Cb 0.54 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 3khj h ARG 353 CO 0.02 0.78 0.40 1.03 -1.07 0.00 0.00 179.97 181.12 3khj h SER 354 N 1.21 1.11 -0.06 7.04 0.87 -1.35 -2.07 113.55 120.30 3khj h SER 354 Ca 0.39 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 3khj h SER 354 Cb 0.04 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 61.71 3khj h SER 354 CO -0.13 0.94 -0.00 0.00 -0.53 0.00 0.00 176.83 177.11 3khj h MET 356 N -0.18 0.00 -0.15 0.00 2.86 -1.29 -2.08 114.93 114.09 3khj h MET 356 Ca 0.02 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 3khj h MET 356 Cb 0.34 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 3khj h MET 356 CO 0.00 0.18 0.03 0.78 1.06 0.00 0.00 176.91 178.96 3khj h GLY 357 N 1.46 0.26 1.62 8.32 0.00 -1.30 0.10 103.07 113.53 3khj h GLY 357 Ca -0.00 -0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.19 3khj h GLY 357 CO 0.02 0.16 0.18 -0.97 0.00 0.00 0.00 176.54 175.93 3khj h TYR 358 N 0.03 0.19 -0.30 5.60 -1.99 -1.06 -2.37 116.97 117.06 3khj h TYR 358 Ca 0.05 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.78 3khj h TYR 358 Cb 0.29 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 38.96 3khj h TYR 358 CO 0.02 0.11 0.00 1.28 -0.00 0.00 0.00 178.16 179.56 3khj n LEU 359 N -4.49 3.30 -3.51 3.88 4.32 -0.98 -1.29 117.00 118.24 3khj n LEU 359 Ca 0.02 -1.36 -0.25 0.00 -0.02 0.00 0.00 56.01 54.40 3khj n LEU 359 Cb 0.19 -0.19 0.05 0.00 -1.62 0.00 0.00 43.42 41.85 3khj n LEU 359 CO 0.35 0.68 0.14 0.61 -1.22 0.00 0.00 177.39 177.95 3khj n GLY 360 N 1.47 -0.53 3.35 -0.72 0.00 -0.57 -4.45 105.19 103.73 3khj n GLY 360 Ca 0.18 0.20 -0.34 0.00 0.00 0.00 0.00 46.02 46.06 3khj n GLY 360 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3khj s SER 361 N -3.12 4.32 0.27 1.61 0.01 -0.08 -4.79 113.70 111.91 3khj s SER 361 Ca 0.52 -0.34 0.23 0.00 1.31 0.00 0.00 55.95 57.67 3khj s SER 361 Cb -0.24 -1.72 0.10 0.00 0.21 0.00 0.00 66.02 64.37 3khj s SER 361 CO 0.65 0.05 1.20 0.00 0.41 0.00 0.00 173.24 175.55 3khj h ALA 362 N 7.61 0.64 -2.64 1.44 0.00 -1.91 -3.42 119.26 120.98 3khj h ALA 362 Ca -0.37 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.38 3khj h ALA 362 Cb 1.18 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.83 3khj h ALA 362 CO 0.60 0.00 -0.45 -1.54 0.00 0.00 0.00 179.25 177.86 3khj s SER 363 N -5.59 0.09 0.16 0.00 1.04 -1.26 -0.03 113.70 108.12 3khj s SER 363 Ca 0.02 -1.16 -0.13 0.00 0.48 0.00 0.00 55.95 55.16 3khj s SER 363 Cb 0.08 0.43 0.05 0.00 0.10 0.00 0.00 66.02 66.68 3khj s SER 363 CO 0.76 -0.91 1.73 0.40 0.98 0.00 0.00 173.24 176.20 3khj h ILE 364 N 2.55 1.21 -0.14 -1.02 1.08 -1.80 0.65 117.51 120.04 3khj h ILE 364 Ca -0.33 -0.62 -0.08 0.00 -0.39 0.00 0.00 64.86 63.45 3khj h ILE 364 Cb 1.24 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 35.60 3khj h ILE 364 CO 0.49 0.24 -0.26 -0.33 -0.69 0.00 0.00 178.15 177.60 3khj h GLU 365 N 0.72 0.25 -0.48 2.37 5.08 -1.95 -0.76 114.58 119.80 3khj h GLU 365 Ca 0.18 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 3khj h GLU 365 Cb 0.16 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3khj h GLU 365 CO -0.02 0.50 -0.06 1.49 -1.00 0.00 0.00 179.01 179.92 3khj h GLU 366 N 0.23 0.84 -0.42 2.33 4.81 -1.84 -3.05 114.58 117.47 3khj h GLU 366 Ca 0.04 -0.26 -0.11 0.00 -0.13 0.00 0.00 59.36 58.89 3khj h GLU 366 Cb 0.58 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 3khj h GLU 366 CO 0.04 0.88 -0.19 1.25 -0.73 0.00 0.00 179.01 180.27 3khj h LEU 367 N 0.77 0.83 -1.43 1.64 5.85 -0.07 -3.08 115.31 119.83 3khj h LEU 367 Ca 0.14 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.58 3khj h LEU 367 Cb 0.55 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 3khj h LEU 367 CO 0.03 1.01 0.40 -0.50 -0.34 0.00 0.00 178.44 179.04 3khj h TRP 368 N 0.73 0.73 0.13 1.25 6.55 -1.06 -2.62 115.95 121.64 3khj h TRP 368 Ca 0.11 0.02 -0.27 0.00 0.95 0.00 0.00 58.89 59.69 3khj h TRP 368 Cb 0.71 -0.25 0.01 0.00 -0.86 0.00 0.00 29.16 28.77 3khj h TRP 368 CO 0.04 0.45 -1.23 0.87 -1.05 0.00 0.00 178.44 177.52 3khj h LYS 369 N 0.77 0.31 -0.15 0.49 1.79 -1.49 -3.38 116.57 114.92 3khj h LYS 369 Ca 0.23 -0.50 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 3khj h LYS 369 Cb -0.02 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 3khj h LYS 369 CO -0.06 1.23 0.00 0.36 -1.08 0.00 0.00 179.45 179.90 3khj n LYS 370 N -3.57 2.66 -3.35 3.15 2.85 -1.18 -5.03 118.16 113.69 3khj n LYS 370 Ca -0.09 -2.05 -0.36 0.00 -1.05 0.00 0.00 58.31 54.76 3khj n LYS 370 Cb 1.01 -1.29 -0.06 0.00 -0.65 0.00 0.00 35.03 34.04 3khj n LYS 370 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3khj s SER 371 N -1.45 6.87 0.03 -5.58 1.04 -1.00 -4.97 113.70 108.65 3khj s SER 371 Ca 0.19 1.11 -0.10 0.00 0.48 0.00 0.00 55.95 57.63 3khj s SER 371 Cb 0.13 -2.30 0.01 0.00 0.10 0.00 0.00 66.02 63.96 3khj s SER 371 CO 0.07 0.15 0.21 -0.94 0.98 0.00 0.00 173.24 173.71 3khj s SER 372 N -1.56 0.00 0.09 7.02 1.04 -1.26 -5.05 113.70 113.97 3khj s SER 372 Ca 0.35 -0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.49 3khj s SER 372 Cb -0.16 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 3khj s SER 372 CO 0.19 -0.54 -0.06 -0.72 0.98 0.00 0.00 173.24 173.09 3khj s TYR 373 N -2.37 0.81 -0.07 5.02 1.13 -1.26 -0.39 117.35 120.23 3khj s TYR 373 Ca -0.07 -0.91 0.02 0.00 -1.41 0.00 0.00 57.07 54.71 3khj s TYR 373 Cb -0.02 -0.48 -0.03 0.00 -1.10 0.00 0.00 41.96 40.33 3khj s TYR 373 CO -0.03 -0.18 -0.12 0.14 -2.51 0.00 0.00 175.55 172.85 3khj s VAL 374 N -3.49 3.26 0.26 -3.49 -7.23 -0.43 -4.91 120.40 104.37 3khj s VAL 374 Ca 0.09 -0.64 -0.30 0.00 -1.81 0.00 0.00 61.98 59.33 3khj s VAL 374 Cb 0.04 -2.31 -0.09 0.00 0.56 0.00 0.00 36.38 34.58 3khj s VAL 374 CO -0.05 0.58 1.07 -1.61 -0.31 0.00 0.00 175.10 174.78 3khj s GLU 375 N -0.61 4.67 0.01 4.82 2.02 -1.26 -1.79 118.70 126.57 3khj s GLU 375 Ca 0.09 1.73 0.03 0.00 0.02 0.00 0.00 54.97 56.84 3khj s GLU 375 Cb -0.11 -3.22 -0.01 0.00 0.10 0.00 0.00 34.13 30.88 3khj s GLU 375 CO 0.01 0.25 -0.09 0.42 0.02 0.00 0.00 175.26 175.88 3khj s ILE 376 N -1.01 0.66 0.22 -1.63 1.01 0.10 -4.96 121.20 115.59 3khj s ILE 376 Ca 0.45 -0.53 -0.22 0.00 0.00 0.00 0.00 60.65 60.35 3khj s ILE 376 Cb -0.30 -0.59 -0.08 0.00 0.01 0.00 0.00 42.46 41.50 3khj s ILE 376 CO 0.38 0.07 0.76 0.42 0.00 0.00 0.00 174.94 176.58 3khj s THR 377 N -0.44 4.47 0.00 2.92 -4.23 -1.26 -4.64 115.64 112.45 3khj s THR 377 Ca 0.01 1.47 0.00 0.00 -1.18 0.00 0.00 61.69 61.99 3khj s THR 377 Cb -0.05 -3.96 0.00 0.00 1.34 0.00 0.00 72.50 69.84 3khj s THR 377 CO 0.00 0.29 0.18 0.35 -0.54 0.00 0.00 174.62 174.90