#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j3k n THR 2 N 0.00 -0.92 -3.38 2.03 -1.04 -1.26 -0.98 114.28 108.73 2j3k n THR 2 Ca 0.00 -3.28 -0.34 0.00 -2.04 0.00 0.00 64.05 58.39 2j3k n THR 2 Cb 0.00 -1.36 -0.06 0.00 -1.82 0.00 0.00 70.33 67.09 2j3k n THR 2 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2j3k s ALA 3 N -0.18 3.57 -0.18 2.41 0.00 -0.25 -4.86 121.76 122.26 2j3k s ALA 3 Ca 0.33 -0.19 -0.29 0.00 0.00 0.00 0.00 51.96 51.81 2j3k s ALA 3 Cb 0.08 -2.49 -0.01 0.00 0.00 0.00 0.00 23.12 20.70 2j3k s ALA 3 CO -0.16 0.48 1.21 0.95 0.00 0.00 0.00 175.76 178.24 2j3k s THR 4 N -1.64 4.37 -0.43 0.00 -4.23 -1.26 -0.95 115.64 111.50 2j3k s THR 4 Ca 0.43 1.66 -0.17 0.00 -1.18 0.00 0.00 61.69 62.42 2j3k s THR 4 Cb -0.13 -4.07 0.03 0.00 1.34 0.00 0.00 72.50 69.67 2j3k s THR 4 CO 0.20 -0.15 0.45 0.21 -0.54 0.00 0.00 174.62 174.79 2j3k s ASN 5 N 1.81 6.19 -0.27 3.99 2.47 0.18 -4.90 114.94 124.41 2j3k s ASN 5 Ca 0.52 -0.74 -0.27 0.00 0.42 0.00 0.00 52.86 52.79 2j3k s ASN 5 Cb -0.20 -2.23 0.01 0.00 -1.45 0.00 0.00 41.25 37.38 2j3k s ASN 5 CO 0.13 -0.61 0.95 -0.75 -3.72 0.00 0.00 177.10 173.10 2j3k s LYS 6 N 2.14 4.13 0.15 0.43 2.20 -1.26 -1.57 119.74 125.96 2j3k s LYS 6 Ca 0.12 1.03 0.10 0.00 -0.36 0.00 0.00 55.97 56.86 2j3k s LYS 6 Cb -0.18 -3.69 -0.04 0.00 -1.51 0.00 0.00 37.83 32.42 2j3k s LYS 6 CO 0.13 -0.69 -0.22 -0.65 -0.36 0.00 0.00 175.35 173.56 2j3k s GLN 7 N 3.20 1.62 -0.37 4.03 -0.21 -0.03 -2.20 119.66 125.70 2j3k s GLN 7 Ca 0.40 -1.33 -0.04 0.00 0.02 0.00 0.00 55.36 54.41 2j3k s GLN 7 Cb -0.14 -1.98 0.08 0.00 1.00 0.00 0.00 33.01 31.97 2j3k s GLN 7 CO 0.10 0.44 0.14 0.08 -2.12 0.00 0.00 175.29 173.93 2j3k s VAL 8 N -1.31 3.34 0.59 1.09 1.01 -0.64 -1.13 120.40 123.35 2j3k s VAL 8 Ca 0.18 -1.69 -0.03 0.00 0.00 0.00 0.00 61.98 60.44 2j3k s VAL 8 Cb -0.10 -3.11 0.03 0.00 0.00 0.00 0.00 36.38 33.20 2j3k s VAL 8 CO 0.09 -0.44 0.86 0.27 0.00 0.00 0.00 175.10 175.87 2j3k s ILE 9 N 1.23 2.93 -0.20 2.22 -4.36 0.57 -2.89 121.20 120.71 2j3k s ILE 9 Ca 0.03 -0.39 -0.05 0.00 -0.26 0.00 0.00 60.65 59.98 2j3k s ILE 9 Cb -0.22 -3.16 -0.02 0.00 1.25 0.00 0.00 42.46 40.32 2j3k s ILE 9 CO -0.02 -0.14 -0.01 -0.22 0.24 0.00 0.00 174.94 174.79 2j3k s LEU 10 N -4.92 3.18 0.02 0.37 2.96 -1.20 -2.57 118.68 116.52 2j3k s LEU 10 Ca 0.56 -0.23 -0.25 0.00 -0.22 0.00 0.00 54.13 53.99 2j3k s LEU 10 Cb -0.10 -1.80 -0.18 0.00 0.50 0.00 0.00 46.19 44.61 2j3k s LEU 10 CO 0.41 0.06 1.39 0.50 -1.32 0.00 0.00 176.35 177.40 2j3k h LYS 11 N 7.50 -0.16 -2.97 1.98 3.64 -1.60 -0.52 116.57 124.44 2j3k h LYS 11 Ca -0.36 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.01 2j3k h LYS 11 Cb 1.18 0.04 -0.13 0.00 -0.41 0.00 0.00 32.23 32.91 2j3k h LYS 11 CO 0.61 0.14 0.18 0.34 -2.27 0.00 0.00 179.45 178.45 2j3k s ASP 12 N -5.32 -0.54 0.29 4.20 3.68 -1.26 -3.88 116.67 113.84 2j3k s ASP 12 Ca -0.15 0.02 -0.28 0.00 2.13 0.00 0.00 52.55 54.27 2j3k s ASP 12 Cb 0.03 0.58 -0.14 0.00 -1.45 0.00 0.00 42.92 41.94 2j3k s ASP 12 CO 0.63 -0.93 0.96 -1.22 0.13 0.00 0.00 175.17 174.74 2j3k n TYR 13 N -0.27 1.10 -3.81 -5.34 0.53 -1.26 -4.88 117.16 103.22 2j3k n TYR 13 Ca -0.17 0.72 -0.37 0.00 -1.02 0.00 0.00 57.90 57.06 2j3k n TYR 13 Cb 0.64 -2.22 -0.06 0.00 -1.03 0.00 0.00 39.34 36.67 2j3k n TYR 13 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 2j3k s VAL 14 N -1.07 5.45 -0.22 -0.72 1.01 -1.04 -5.04 120.40 118.77 2j3k s VAL 14 Ca 0.59 0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.89 2j3k s VAL 14 Cb -0.71 -3.44 -0.20 0.00 0.00 0.00 0.00 36.38 32.02 2j3k s VAL 14 CO 0.60 0.57 -0.06 -1.54 0.00 0.00 0.00 175.10 174.67 2j3k n SER 15 N 2.34 1.38 0.00 3.32 3.41 -1.26 -4.50 113.62 118.31 2j3k n SER 15 Ca -0.18 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 2j3k n SER 15 Cb 0.54 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2j3k n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2j3k n GLY 16 N 2.06 2.81 3.73 5.00 0.00 -1.26 -4.63 105.19 112.90 2j3k n GLY 16 Ca -0.40 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 2j3k n GLY 16 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2j3k s PHE 17 N 3.68 3.42 0.32 1.61 0.08 -1.23 -4.68 117.98 121.18 2j3k s PHE 17 Ca 0.00 1.34 -0.28 0.00 0.12 0.00 0.00 56.93 58.11 2j3k s PHE 17 Cb 0.00 -3.45 -0.09 0.00 -0.57 0.00 0.00 43.02 38.91 2j3k s PHE 17 CO 0.00 -1.33 1.10 -2.14 -0.10 0.00 0.00 175.22 172.75 2j3k s PRO 18 N 0.37 4.47 0.26 0.24 0.02 -1.26 -5.06 135.00 134.04 2j3k s PRO 18 Ca 0.56 1.75 0.11 0.00 0.02 0.00 0.00 61.00 63.44 2j3k s PRO 18 Cb -0.32 -2.99 -0.05 0.00 0.02 0.00 0.00 34.50 31.16 2j3k s PRO 18 CO 0.33 0.08 -0.14 -0.08 -0.33 0.00 0.00 177.00 176.85 2j3k s THR 19 N -1.30 2.78 0.26 0.99 -1.32 -1.26 -4.77 115.64 111.02 2j3k s THR 19 Ca 0.49 -2.19 0.37 0.00 -1.21 0.00 0.00 61.69 59.14 2j3k s THR 19 Cb -0.30 -2.45 0.41 0.00 -1.51 0.00 0.00 72.50 68.64 2j3k s THR 19 CO 0.38 -0.35 2.09 -0.33 -2.21 0.00 0.00 174.62 174.20 2j3k h GLU 20 N 2.28 0.00 -0.53 7.08 5.08 -1.93 -2.75 114.58 123.82 2j3k h GLU 20 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2j3k h GLU 20 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2j3k h GLU 20 CO 0.59 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.47 2j3k n SER 21 N -3.07 2.49 -0.01 1.42 3.41 -1.26 -3.27 113.62 113.34 2j3k n SER 21 Ca -0.00 -2.17 0.09 0.00 -0.26 0.00 0.00 58.87 56.53 2j3k n SER 21 Cb 0.23 -0.37 -0.11 0.00 -0.26 0.00 0.00 64.21 63.70 2j3k n SER 21 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2j3k n ASP 22 N 0.48 0.95 -4.19 4.04 8.00 -1.04 -4.96 116.55 119.84 2j3k n ASP 22 Ca 0.13 -0.98 -0.23 0.00 0.71 0.00 0.00 54.79 54.42 2j3k n ASP 22 Cb 0.46 0.99 -0.14 0.00 -0.02 0.00 0.00 41.12 42.42 2j3k n ASP 22 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2j3k s PHE 23 N -2.88 1.51 0.05 1.24 2.99 -1.20 -1.43 117.98 118.26 2j3k s PHE 23 Ca 0.08 -0.35 0.02 0.00 0.00 0.00 0.00 56.93 56.67 2j3k s PHE 23 Cb 0.15 -0.91 -0.03 0.00 0.00 0.00 0.00 43.02 42.23 2j3k s PHE 23 CO 0.82 0.05 -0.06 0.34 -0.00 0.00 0.00 175.22 176.36 2j3k s ASP 24 N -1.03 0.75 -0.19 1.36 -1.08 -1.06 -4.92 116.67 110.50 2j3k s ASP 24 Ca 0.05 -0.63 -0.15 0.00 -0.52 0.00 0.00 52.55 51.30 2j3k s ASP 24 Cb -0.08 0.07 -0.04 0.00 -1.46 0.00 0.00 42.92 41.41 2j3k s ASP 24 CO 0.01 -0.28 0.36 -0.36 0.52 0.00 0.00 175.17 175.41 2j3k s PHE 25 N -1.86 3.39 0.18 -5.34 0.40 -1.26 -0.32 117.98 113.17 2j3k s PHE 25 Ca -0.07 0.58 0.06 0.00 -0.60 0.00 0.00 56.93 56.90 2j3k s PHE 25 Cb -0.07 -2.47 -0.05 0.00 0.51 0.00 0.00 43.02 40.95 2j3k s PHE 25 CO -0.01 0.05 -0.11 0.95 0.70 0.00 0.00 175.22 176.80 2j3k s THR 26 N 1.10 1.42 -0.03 0.64 -4.23 -0.28 -4.97 115.64 109.28 2j3k s THR 26 Ca 0.18 -2.12 0.02 0.00 -1.18 0.00 0.00 61.69 58.58 2j3k s THR 26 Cb -0.14 -2.00 0.01 0.00 1.34 0.00 0.00 72.50 71.71 2j3k s THR 26 CO 0.07 -0.63 -0.07 -0.89 -0.54 0.00 0.00 174.62 172.56 2j3k s THR 27 N -3.17 0.64 0.55 3.99 2.01 -1.26 -0.86 115.64 117.54 2j3k s THR 27 Ca 0.21 -0.24 0.04 0.00 0.31 0.00 0.00 61.69 62.00 2j3k s THR 27 Cb 0.02 -0.60 0.04 0.00 0.01 0.00 0.00 72.50 71.96 2j3k s THR 27 CO 0.04 0.22 0.33 0.35 -0.69 0.00 0.00 174.62 174.88 2j3k n THR 28 N 3.59 0.00 -3.75 -0.82 -2.24 -0.61 -5.00 114.28 105.46 2j3k n THR 28 Ca -0.21 -2.26 -0.27 0.00 -2.27 0.00 0.00 64.05 59.04 2j3k n THR 28 Cb 0.53 0.09 -0.17 0.00 -2.10 0.00 0.00 70.33 68.68 2j3k n THR 28 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2j3k s THR 29 N -2.79 0.54 -0.24 4.28 2.01 -1.26 -0.64 115.64 117.54 2j3k s THR 29 Ca 0.25 -0.47 -0.12 0.00 0.31 0.00 0.00 61.69 61.66 2j3k s THR 29 Cb -0.02 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.47 2j3k s THR 29 CO 0.16 -0.12 0.23 -0.69 -0.69 0.00 0.00 174.62 173.51 2j3k s VAL 30 N 1.86 5.31 -0.32 3.82 1.01 -0.12 -4.91 120.40 127.04 2j3k s VAL 30 Ca -0.00 0.32 -0.23 0.00 0.00 0.00 0.00 61.98 62.07 2j3k s VAL 30 Cb -0.16 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2j3k s VAL 30 CO -0.07 0.30 0.76 -1.61 0.00 0.00 0.00 175.10 174.48 2j3k s GLU 31 N 1.26 3.90 -1.32 2.72 2.02 -1.26 -1.09 118.70 124.92 2j3k s GLU 31 Ca 0.10 0.47 -0.10 0.00 0.02 0.00 0.00 54.97 55.46 2j3k s GLU 31 Cb -0.14 -3.75 0.14 0.00 0.10 0.00 0.00 34.13 30.47 2j3k s GLU 31 CO 0.06 -0.71 2.00 1.28 0.02 0.00 0.00 175.26 177.91 2j3k n LEU 32 N 6.21 6.82 -4.95 1.80 4.32 -0.15 -4.91 117.00 126.14 2j3k n LEU 32 Ca 0.03 -4.56 -0.19 0.00 -0.02 0.00 0.00 56.01 51.27 2j3k n LEU 32 Cb 0.48 -1.51 -0.01 0.00 -1.62 0.00 0.00 43.42 40.76 2j3k n LEU 32 CO 0.50 1.38 0.04 -0.13 -1.22 0.00 0.00 177.39 177.96 2j3k s ARG 33 N 0.86 2.92 -0.63 3.23 1.81 -1.26 -4.46 118.95 121.42 2j3k s ARG 33 Ca 0.42 -1.17 -0.25 0.00 -1.72 0.00 0.00 55.73 53.01 2j3k s ARG 33 Cb 0.11 -2.68 0.04 0.00 -0.45 0.00 0.00 34.95 31.97 2j3k s ARG 33 CO -0.02 -0.01 1.07 0.08 -0.68 0.00 0.00 175.30 175.74 2j3k s VAL 34 N -2.26 4.14 0.20 3.52 1.01 -1.26 -4.75 120.40 121.00 2j3k s VAL 34 Ca 0.46 0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.65 2j3k s VAL 34 Cb -0.08 -4.71 0.04 0.00 0.00 0.00 0.00 36.38 31.64 2j3k s VAL 34 CO 0.30 -1.44 0.27 -0.81 0.00 0.00 0.00 175.10 173.43 2j3k n PRO 35 N 8.17 0.03 -1.51 2.72 -0.04 -1.26 -4.93 135.00 138.18 2j3k n PRO 35 Ca 0.02 -0.54 -0.15 0.00 -0.04 0.00 0.00 63.50 62.79 2j3k n PRO 35 Cb 0.48 -0.24 -0.12 0.00 -0.04 0.00 0.00 33.50 33.57 2j3k n PRO 35 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2j3k n GLU 36 N -1.55 0.31 -0.44 0.54 0.00 -1.26 -4.14 120.64 114.09 2j3k n GLU 36 Ca 0.04 -0.68 0.00 0.00 0.00 0.00 0.00 57.16 56.52 2j3k n GLU 36 Cb 0.13 -2.82 0.00 0.00 0.00 0.00 0.00 31.44 28.75 2j3k n GLU 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2j3k n GLY 37 N 6.22 -2.99 2.54 8.31 0.00 -1.26 -4.75 105.19 113.26 2j3k n GLY 37 Ca 0.49 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 2j3k n GLY 37 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2j3k n THR 38 N 0.39 1.34 -0.73 2.61 -2.24 -1.26 -2.78 114.28 111.62 2j3k n THR 38 Ca 0.00 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 2j3k n THR 38 Cb 0.00 -1.80 0.00 0.00 -2.10 0.00 0.00 70.33 66.43 2j3k n THR 38 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2j3k n ASN 39 N 3.69 0.00 -4.82 3.42 0.23 -1.15 -4.70 115.26 111.94 2j3k n ASN 39 Ca 0.22 -0.45 -0.22 0.00 -0.53 0.00 0.00 54.58 53.61 2j3k n ASN 39 Cb 0.20 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.86 2j3k n ASN 39 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 2j3k s SER 40 N 0.00 5.09 0.11 0.53 0.01 -1.12 -4.21 113.70 114.11 2j3k s SER 40 Ca 0.00 -0.60 0.10 0.00 1.31 0.00 0.00 55.95 56.76 2j3k s SER 40 Cb 0.00 -0.87 -0.04 0.00 0.21 0.00 0.00 66.02 65.32 2j3k s SER 40 CO 0.00 -0.35 -0.25 0.68 0.41 0.00 0.00 173.24 173.72 2j3k s VAL 41 N -2.35 2.11 -0.22 3.43 -7.23 -0.08 0.18 120.40 116.24 2j3k s VAL 41 Ca 0.40 -1.65 -0.06 0.00 -1.81 0.00 0.00 61.98 58.86 2j3k s VAL 41 Cb -0.05 -1.87 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 2j3k s VAL 41 CO 0.25 0.10 0.04 -0.22 -0.31 0.00 0.00 175.10 174.96 2j3k s LEU 42 N -1.89 3.40 0.29 1.32 2.96 0.94 -2.52 118.68 123.19 2j3k s LEU 42 Ca 0.12 -0.17 0.09 0.00 -0.22 0.00 0.00 54.13 53.94 2j3k s LEU 42 Cb -0.10 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 2j3k s LEU 42 CO 0.05 0.03 0.10 0.68 -1.32 0.00 0.00 176.35 175.89 2j3k s VAL 43 N 1.21 3.48 -0.20 1.68 -7.23 0.39 -0.75 120.40 118.98 2j3k s VAL 43 Ca 0.04 -1.72 -0.01 0.00 -1.81 0.00 0.00 61.98 58.48 2j3k s VAL 43 Cb -0.14 -3.01 0.01 0.00 0.56 0.00 0.00 36.38 33.80 2j3k s VAL 43 CO 0.02 -0.29 -0.14 -0.75 -0.31 0.00 0.00 175.10 173.63 2j3k s LYS 44 N -3.78 3.06 -0.23 4.82 2.20 -0.60 -1.93 119.74 123.28 2j3k s LYS 44 Ca 0.34 -0.80 -0.28 0.00 -0.36 0.00 0.00 55.97 54.87 2j3k s LYS 44 Cb -0.05 -2.75 0.00 0.00 -1.51 0.00 0.00 37.83 33.53 2j3k s LYS 44 CO 0.22 -0.24 0.98 -0.80 -0.36 0.00 0.00 175.35 175.16 2j3k s ASN 45 N 1.34 7.04 -0.14 1.43 0.01 -1.03 -1.57 114.94 122.02 2j3k s ASN 45 Ca 0.04 1.30 -0.09 0.00 -0.71 0.00 0.00 52.86 53.40 2j3k s ASN 45 Cb -0.14 -2.51 -0.03 0.00 0.41 0.00 0.00 41.25 38.98 2j3k s ASN 45 CO -0.09 -0.62 -0.18 0.18 -1.51 0.00 0.00 177.10 174.88 2j3k n LEU 46 N 6.16 1.71 -4.16 0.60 4.32 -0.83 -3.88 117.00 120.92 2j3k n LEU 46 Ca 0.10 0.60 -0.20 0.00 -0.02 0.00 0.00 56.01 56.49 2j3k n LEU 46 Cb 0.47 -0.84 -0.13 0.00 -1.62 0.00 0.00 43.42 41.29 2j3k n LEU 46 CO 0.51 -0.47 -0.47 -0.31 -1.22 0.00 0.00 177.39 175.43 2j3k s TYR 47 N -2.21 1.28 0.12 -1.77 1.51 -0.93 -0.40 117.35 114.95 2j3k s TYR 47 Ca -0.15 -0.39 0.09 0.00 -1.01 0.00 0.00 57.07 55.62 2j3k s TYR 47 Cb 0.02 -0.75 -0.04 0.00 -0.11 0.00 0.00 41.96 41.08 2j3k s TYR 47 CO 0.22 0.05 -0.23 -0.51 -1.11 0.00 0.00 175.55 173.97 2j3k s LEU 48 N -1.34 2.32 -0.14 -1.29 1.02 -0.76 -1.38 118.68 117.12 2j3k s LEU 48 Ca 0.01 -0.72 -0.05 0.00 0.02 0.00 0.00 54.13 53.39 2j3k s LEU 48 Cb -0.09 -1.00 -0.04 0.00 0.02 0.00 0.00 46.19 45.09 2j3k s LEU 48 CO 0.02 0.09 0.05 -0.55 0.02 0.00 0.00 176.35 175.98 2j3k s SER 49 N -2.03 5.57 -0.49 2.29 0.15 -0.80 -1.25 113.70 117.14 2j3k s SER 49 Ca 0.10 0.16 -0.03 0.00 0.70 0.00 0.00 55.95 56.87 2j3k s SER 49 Cb -0.10 -1.80 0.13 0.00 -1.71 0.00 0.00 66.02 62.54 2j3k s SER 49 CO 0.05 0.29 0.30 0.00 1.20 0.00 0.00 173.24 175.08 2j3k s ASP 51 N 1.47 3.23 0.00 0.00 -1.08 -1.26 -4.33 116.67 114.70 2j3k s ASP 51 Ca 0.11 -0.43 0.20 0.00 -0.52 0.00 0.00 52.55 51.91 2j3k s ASP 51 Cb -0.22 -0.42 0.96 0.00 -1.46 0.00 0.00 42.92 41.78 2j3k s ASP 51 CO -0.04 0.32 1.64 -2.65 0.52 0.00 0.00 175.17 174.96 2j3k n PRO 52 N 2.35 0.18 0.30 4.34 -0.02 -1.26 -3.43 135.00 137.47 2j3k n PRO 52 Ca -0.16 0.12 0.19 0.00 -2.02 0.00 0.00 63.50 61.62 2j3k n PRO 52 Cb 0.51 -1.50 0.98 0.00 -0.02 0.00 0.00 33.50 33.47 2j3k n PRO 52 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2j3k h TYR 53 N 0.00 0.00 0.00 6.00 -0.00 -2.02 -3.09 116.97 117.86 2j3k h TYR 53 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.70 2j3k h TYR 53 Cb 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.97 2j3k h TYR 53 CO 0.00 0.00 -0.13 0.52 -0.00 0.00 0.00 178.16 178.55 2j3k h MET 54 N 0.00 0.00 -0.53 0.10 2.86 -1.96 -0.93 114.93 114.48 2j3k h MET 54 Ca 0.03 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 2j3k h MET 54 Cb 0.35 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 2j3k h MET 54 CO -0.00 0.13 -0.09 -0.09 1.06 0.00 0.00 176.91 177.92 2j3k h ARG 55 N 0.00 0.99 -0.17 1.72 1.12 -1.83 -0.78 114.38 115.44 2j3k h ARG 55 Ca -0.00 -0.36 -0.14 0.00 -1.11 0.00 0.00 59.98 58.37 2j3k h ARG 55 Cb 0.25 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.14 2j3k h ARG 55 CO 0.02 1.04 -0.49 0.82 -3.11 0.00 0.00 179.97 178.25 2j3k h ILE 56 N 0.86 1.33 0.00 1.20 1.08 -1.48 -2.52 117.51 117.98 2j3k h ILE 56 Ca 0.14 -1.71 0.00 0.00 -0.39 0.00 0.00 64.86 62.90 2j3k h ILE 56 Cb 0.65 1.73 0.00 0.00 -3.07 0.00 0.00 36.82 36.14 2j3k h ILE 56 CO 0.05 0.52 0.00 0.03 -0.69 0.00 0.00 178.15 178.06 2j3k h ARG 57 N 0.35 0.00 -0.00 2.37 2.47 -1.03 -3.06 114.38 115.47 2j3k h ARG 57 Ca 0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2j3k h ARG 57 Cb 0.99 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.31 2j3k h ARG 57 CO 0.09 0.00 -0.05 -1.33 0.56 0.00 0.00 179.97 179.24 2j3k n MET 58 N -2.84 0.63 -2.38 0.04 2.81 -0.31 -1.42 117.12 113.65 2j3k n MET 58 Ca 0.01 -0.11 -0.29 0.00 -1.81 0.00 0.00 57.70 55.50 2j3k n MET 58 Cb 0.31 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.32 2j3k n MET 58 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2j3k s GLY 59 N -2.44 1.61 -1.29 3.03 0.00 -1.16 -2.50 107.32 104.56 2j3k s GLY 59 Ca 0.32 -0.32 -0.12 0.00 0.00 0.00 0.00 44.72 44.59 2j3k s GLY 59 CO 0.45 -0.11 1.78 1.17 0.00 0.00 0.00 173.10 176.39 2j3k n LYS 60 N -2.33 3.38 0.01 2.90 4.81 -1.26 -4.71 118.16 120.95 2j3k n LYS 60 Ca 0.03 -3.45 0.00 0.00 -0.87 0.00 0.00 58.31 54.01 2j3k n LYS 60 Cb 0.55 -3.08 0.00 0.00 0.02 0.00 0.00 35.03 32.51 2j3k n LYS 60 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2j3k n GLN 70 N 5.29 0.00 -0.09 1.64 -0.00 -1.26 -5.13 117.38 117.82 2j3k n GLN 70 Ca 0.42 0.03 0.00 0.00 -0.00 0.00 0.00 57.00 57.45 2j3k n GLN 70 Cb 0.40 -1.31 0.00 0.00 -0.00 0.00 0.00 30.24 29.32 2j3k n GLN 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2j3k n ALA 71 N -0.67 -0.86 -1.72 2.61 0.00 -1.26 -5.04 120.51 113.56 2j3k n ALA 71 Ca 0.00 0.03 -0.33 0.00 0.00 0.00 0.00 53.44 53.14 2j3k n ALA 71 Cb 0.34 -0.56 -0.01 0.00 0.00 0.00 0.00 19.45 19.23 2j3k n ALA 71 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2j3k s TYR 72 N -3.50 3.01 -0.29 0.00 4.12 -0.51 -5.06 117.35 115.12 2j3k s TYR 72 Ca 0.00 1.53 -0.08 0.00 0.02 0.00 0.00 57.07 58.54 2j3k s TYR 72 Cb 0.00 -3.02 -0.00 0.00 -1.52 0.00 0.00 41.96 37.42 2j3k s TYR 72 CO 0.00 -0.99 0.10 0.95 0.02 0.00 0.00 175.55 175.63 2j3k s THR 73 N -2.30 4.21 -0.21 -0.71 -4.23 -1.26 -4.99 115.64 106.15 2j3k s THR 73 Ca 0.65 -0.53 -0.19 0.00 -1.18 0.00 0.00 61.69 60.43 2j3k s THR 73 Cb -0.16 -3.13 -0.08 0.00 1.34 0.00 0.00 72.50 70.47 2j3k s THR 73 CO 0.31 0.12 0.82 -2.65 -0.54 0.00 0.00 174.62 172.68 2j3k n PRO 74 N 4.91 0.00 -0.12 3.99 -0.01 -1.26 -3.19 135.00 139.32 2j3k n PRO 74 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.34 2j3k n PRO 74 Cb 0.49 -0.64 0.00 0.00 -0.01 0.00 0.00 33.50 33.34 2j3k n PRO 74 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 2j3k n GLY 75 N 2.60 0.65 3.49 -1.23 0.00 -0.20 -5.01 105.19 105.49 2j3k n GLY 75 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 2j3k n GLY 75 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2j3k s GLN 76 N -0.88 1.89 0.50 1.61 2.00 -1.19 -4.92 119.66 118.67 2j3k s GLN 76 Ca 0.00 -1.11 -0.19 0.00 -2.00 0.00 0.00 55.36 52.06 2j3k s GLN 76 Cb 0.00 -2.15 -0.13 0.00 0.80 0.00 0.00 33.01 31.53 2j3k s GLN 76 CO 0.00 0.50 0.22 -2.30 -0.50 0.00 0.00 175.29 173.20 2j3k n PRO 77 N 0.99 0.25 -3.27 1.67 -0.02 -1.26 -3.21 135.00 130.15 2j3k n PRO 77 Ca -0.16 0.10 -0.38 0.00 -2.02 0.00 0.00 63.50 61.04 2j3k n PRO 77 Cb 0.52 -1.31 -0.06 0.00 -0.02 0.00 0.00 33.50 32.64 2j3k n PRO 77 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2j3k s ILE 78 N -1.79 5.17 0.15 4.25 -4.36 -1.14 -4.81 121.20 118.66 2j3k s ILE 78 Ca 0.62 1.02 -0.24 0.00 -0.26 0.00 0.00 60.65 61.79 2j3k s ILE 78 Cb -0.51 -3.85 -0.08 0.00 1.25 0.00 0.00 42.46 39.27 2j3k s ILE 78 CO 0.61 0.31 0.74 -1.10 0.24 0.00 0.00 174.94 175.73 2j3k s GLN 79 N 0.69 4.49 0.22 0.37 -1.52 -1.26 -2.22 119.66 120.43 2j3k s GLN 79 Ca 0.28 1.08 -0.17 0.00 -1.95 0.00 0.00 55.36 54.59 2j3k s GLN 79 Cb -0.15 -3.25 0.02 0.00 -0.22 0.00 0.00 33.01 29.41 2j3k s GLN 79 CO 0.11 0.58 0.55 0.20 -0.25 0.00 0.00 175.29 176.48 2j3k s GLY 80 N -1.16 0.06 0.59 3.09 0.00 -0.55 -4.99 107.32 104.37 2j3k s GLY 80 Ca 0.35 -0.39 -0.14 0.00 0.00 0.00 0.00 44.72 44.53 2j3k s GLY 80 CO 0.25 -0.32 1.02 -0.19 0.00 0.00 0.00 173.10 173.87 2j3k s TYR 81 N -3.92 3.33 0.00 1.90 1.51 -1.26 -1.52 117.35 117.39 2j3k s TYR 81 Ca 0.13 1.43 0.00 0.00 -1.01 0.00 0.00 57.07 57.62 2j3k s TYR 81 Cb -0.02 -2.84 0.00 0.00 -0.11 0.00 0.00 41.96 38.99 2j3k s TYR 81 CO 0.02 -0.76 0.00 0.41 -1.11 0.00 0.00 175.55 174.11 2j3k n GLY 82 N -1.77 1.81 3.74 0.71 0.00 -0.81 -1.90 105.19 106.96 2j3k n GLY 82 Ca 0.07 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 2j3k n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j3k s VAL 83 N -2.00 4.40 -0.06 1.61 1.01 -0.48 -2.39 120.40 122.50 2j3k s VAL 83 Ca 0.00 2.05 -0.09 0.00 0.00 0.00 0.00 61.98 63.94 2j3k s VAL 83 Cb 0.00 -4.31 0.02 0.00 0.00 0.00 0.00 36.38 32.09 2j3k s VAL 83 CO 0.00 0.37 0.23 -0.44 0.00 0.00 0.00 175.10 175.26 2j3k s SER 84 N -0.32 -0.19 -0.09 3.32 0.01 0.60 -1.96 113.70 115.07 2j3k s SER 84 Ca 0.45 0.29 -0.13 0.00 1.31 0.00 0.00 55.95 57.86 2j3k s SER 84 Cb -0.24 0.41 -0.05 0.00 0.21 0.00 0.00 66.02 66.35 2j3k s SER 84 CO 0.30 -0.19 0.32 -0.60 0.41 0.00 0.00 173.24 173.48 2j3k s ARG 85 N -0.37 4.00 -0.02 12.44 6.06 -0.61 -1.19 118.95 139.26 2j3k s ARG 85 Ca -0.05 0.20 -0.30 0.00 -2.50 0.00 0.00 55.73 53.09 2j3k s ARG 85 Cb -0.03 -3.31 -0.03 0.00 0.06 0.00 0.00 34.95 31.64 2j3k s ARG 85 CO 0.01 0.49 0.99 0.42 -2.50 0.00 0.00 175.30 174.71 2j3k s ILE 86 N -0.35 4.84 -0.23 4.11 -1.09 -0.55 -1.56 121.20 126.37 2j3k s ILE 86 Ca 0.20 2.05 0.05 0.00 -2.23 0.00 0.00 60.65 60.71 2j3k s ILE 86 Cb -0.14 -4.31 -0.20 0.00 -1.58 0.00 0.00 42.46 36.23 2j3k s ILE 86 CO 0.08 0.12 -0.10 -0.38 -1.23 0.00 0.00 174.94 173.43 2j3k n ILE 87 N 4.05 1.50 -3.50 2.92 2.08 0.07 -1.12 119.36 125.36 2j3k n ILE 87 Ca 0.07 -0.64 -0.14 0.00 0.56 0.00 0.00 62.75 62.59 2j3k n ILE 87 Cb 0.50 -1.25 -0.04 0.00 -0.75 0.00 0.00 39.64 38.10 2j3k n ILE 87 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 2j3k s GLU 88 N -2.52 1.02 -0.00 0.38 2.56 -0.94 -4.78 118.70 114.41 2j3k s GLU 88 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.97 54.70 2j3k s GLU 88 Cb 0.08 0.47 -0.00 0.00 2.00 0.00 0.00 34.13 36.69 2j3k s GLU 88 CO 0.67 -0.37 -0.01 0.45 -0.56 0.00 0.00 175.26 175.44 2j3k s SER 89 N -1.69 0.13 0.00 -1.70 0.15 -1.26 -0.04 113.70 109.28 2j3k s SER 89 Ca -0.05 -0.03 0.04 0.00 0.70 0.00 0.00 55.95 56.61 2j3k s SER 89 Cb -0.00 -0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.26 2j3k s SER 89 CO 0.01 0.00 0.24 0.61 1.20 0.00 0.00 173.24 175.30 2j3k n GLY 90 N 3.01 0.38 3.81 9.45 0.00 0.13 -4.80 105.19 117.18 2j3k n GLY 90 Ca -0.12 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 2j3k n GLY 90 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2j3k s HIS 91 N -1.22 3.73 0.24 1.61 5.04 -0.74 -2.92 115.29 121.03 2j3k s HIS 91 Ca 0.02 1.34 -0.04 0.00 -1.54 0.00 0.00 55.06 54.85 2j3k s HIS 91 Cb 0.03 -2.57 0.27 0.00 0.04 0.00 0.00 32.58 30.35 2j3k s HIS 91 CO 0.15 0.45 1.73 -1.00 -2.34 0.00 0.00 174.74 173.73 2j3k h PRO 92 N 3.91 0.87 -0.91 2.88 0.13 -1.94 -3.39 132.00 133.56 2j3k h PRO 92 Ca -0.48 -0.24 -0.62 0.00 -0.87 0.00 0.00 66.00 63.79 2j3k h PRO 92 Cb 1.20 -0.10 -0.36 0.00 0.13 0.00 0.00 31.00 31.88 2j3k h PRO 92 CO 0.65 0.86 0.05 -0.25 -0.23 0.00 0.00 178.00 179.08 2j3k n ASP 93 N -4.21 6.35 -3.56 1.44 8.00 -1.26 -4.81 116.55 118.51 2j3k n ASP 93 Ca 0.03 -3.77 -0.08 0.00 0.71 0.00 0.00 54.79 51.67 2j3k n ASP 93 Cb 0.31 -0.67 -0.09 0.00 -0.02 0.00 0.00 41.12 40.65 2j3k n ASP 93 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2j3k s TYR 94 N -3.72 -0.82 0.32 1.24 2.02 -1.26 -5.07 117.35 110.06 2j3k s TYR 94 Ca 0.58 1.33 0.07 0.00 -0.37 0.00 0.00 57.07 58.68 2j3k s TYR 94 Cb 0.46 0.23 -0.02 0.00 -0.40 0.00 0.00 41.96 42.23 2j3k s TYR 94 CO 0.00 -0.55 0.38 -1.59 -1.57 0.00 0.00 175.55 172.21 2j3k s LYS 95 N 2.60 2.98 -0.09 -0.62 -2.85 -1.26 -4.78 119.74 115.72 2j3k s LYS 95 Ca 0.03 -1.10 -0.29 0.00 -1.00 0.00 0.00 55.97 53.60 2j3k s LYS 95 Cb -0.13 -2.68 -0.06 0.00 -2.06 0.00 0.00 37.83 32.91 2j3k s LYS 95 CO -0.14 0.13 1.81 0.15 0.10 0.00 0.00 175.35 177.40 2j3k s LYS 96 N -4.07 3.95 0.00 1.78 3.01 -1.26 -3.58 119.74 119.57 2j3k s LYS 96 Ca 0.42 2.17 0.00 0.00 -1.01 0.00 0.00 55.97 57.55 2j3k s LYS 96 Cb -0.08 -4.10 0.00 0.00 -1.01 0.00 0.00 37.83 32.64 2j3k s LYS 96 CO 0.29 -1.14 0.00 0.41 0.51 0.00 0.00 175.35 175.42 2j3k n GLY 97 N 4.58 0.94 3.86 -3.33 0.00 -0.27 -5.00 105.19 105.97 2j3k n GLY 97 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 2j3k n GLY 97 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2j3k s ASP 98 N -1.08 5.15 -0.10 1.61 1.47 -1.23 -4.84 116.67 117.64 2j3k s ASP 98 Ca 0.00 -0.63 -0.03 0.00 1.18 0.00 0.00 52.55 53.07 2j3k s ASP 98 Cb 0.00 -0.75 -0.03 0.00 -0.34 0.00 0.00 42.92 41.79 2j3k s ASP 98 CO 0.00 -0.51 0.01 -0.76 0.68 0.00 0.00 175.17 174.59 2j3k s LEU 99 N -4.06 3.62 0.25 2.11 2.01 -1.26 -1.48 118.68 119.87 2j3k s LEU 99 Ca 0.45 0.14 0.07 0.00 0.01 0.00 0.00 54.13 54.79 2j3k s LEU 99 Cb -0.04 -1.84 -0.05 0.00 0.01 0.00 0.00 46.19 44.26 2j3k s LEU 99 CO 0.27 0.35 -0.08 -1.48 1.01 0.00 0.00 176.35 176.42 2j3k s LEU 100 N -0.68 2.47 0.03 1.79 0.05 -0.33 -0.41 118.68 121.60 2j3k s LEU 100 Ca 0.11 -1.14 0.04 0.00 0.05 0.00 0.00 54.13 53.19 2j3k s LEU 100 Cb -0.12 -0.61 -0.02 0.00 -2.05 0.00 0.00 46.19 43.40 2j3k s LEU 100 CO 0.02 -0.31 -0.13 -1.66 -0.55 0.00 0.00 176.35 173.72 2j3k s TRP 101 N -3.05 1.17 -5.00 3.48 1.48 -0.17 -0.29 118.94 116.57 2j3k s TRP 101 Ca 0.27 -0.32 0.00 0.00 -1.06 0.00 0.00 56.10 54.99 2j3k s TRP 101 Cb 0.03 -0.71 0.00 0.00 -1.16 0.00 0.00 33.47 31.63 2j3k s TRP 101 CO 0.10 0.02 0.00 0.41 -4.06 0.00 0.00 176.95 173.42 2j3k n GLY 102 N 2.09 -0.96 3.60 3.67 0.00 -1.01 -0.99 105.19 111.60 2j3k n GLY 102 Ca -0.17 -1.34 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 2j3k n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2j3k s ILE 103 N -2.83 4.21 0.27 -0.61 1.01 -1.26 -1.93 121.20 120.05 2j3k s ILE 103 Ca 0.00 1.21 0.09 0.00 0.00 0.00 0.00 60.65 61.95 2j3k s ILE 103 Cb 0.00 -4.61 -0.04 0.00 0.01 0.00 0.00 42.46 37.82 2j3k s ILE 103 CO 0.00 -1.02 0.03 0.68 0.00 0.00 0.00 174.94 174.63 2j3k s VAL 104 N 4.45 3.58 0.33 2.92 -7.23 -0.57 -4.98 120.40 118.90 2j3k s VAL 104 Ca 0.48 -1.84 -0.10 0.00 -1.81 0.00 0.00 61.98 58.71 2j3k s VAL 104 Cb -0.07 -2.92 -0.07 0.00 0.56 0.00 0.00 36.38 33.88 2j3k s VAL 104 CO 0.32 -0.37 0.68 0.00 -0.31 0.00 0.00 175.10 175.41 2j3k s ALA 105 N -2.30 3.45 -1.24 1.32 0.00 -1.26 -1.47 121.76 120.25 2j3k s ALA 105 Ca 0.32 -0.26 -0.16 0.00 0.00 0.00 0.00 51.96 51.85 2j3k s ALA 105 Cb -0.07 -2.57 0.12 0.00 0.00 0.00 0.00 23.12 20.60 2j3k s ALA 105 CO 0.21 0.19 1.58 -1.58 0.00 0.00 0.00 175.76 176.16 2j3k s TRP 106 N -2.15 3.11 0.34 0.00 0.52 -0.94 -4.81 118.94 115.01 2j3k s TRP 106 Ca 0.49 -1.83 0.03 0.00 0.02 0.00 0.00 56.10 54.81 2j3k s TRP 106 Cb -0.11 -4.55 -0.04 0.00 -1.15 0.00 0.00 33.47 27.63 2j3k s TRP 106 CO 0.27 -1.62 0.13 -1.21 0.02 0.00 0.00 176.95 174.54 2j3k s GLU 107 N 3.01 1.72 -0.09 4.98 2.02 -1.26 -1.62 118.70 127.46 2j3k s GLU 107 Ca 0.48 -2.00 0.15 0.00 0.02 0.00 0.00 54.97 53.62 2j3k s GLU 107 Cb 0.01 -0.43 -0.23 0.00 0.10 0.00 0.00 34.13 33.57 2j3k s GLU 107 CO 0.03 -0.40 0.47 0.39 0.02 0.00 0.00 175.26 175.77 2j3k n GLU 108 N -0.71 0.65 -3.59 1.61 1.02 -0.93 -4.69 120.64 113.99 2j3k n GLU 108 Ca -0.02 0.17 -0.20 0.00 -0.02 0.00 0.00 57.16 57.08 2j3k n GLU 108 Cb 0.65 -1.69 -0.15 0.00 -0.02 0.00 0.00 31.44 30.23 2j3k n GLU 108 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2j3k s TYR 109 N -2.62 -0.07 -0.03 -0.32 1.51 -1.26 -2.48 117.35 112.08 2j3k s TYR 109 Ca -0.06 0.16 0.05 0.00 -1.01 0.00 0.00 57.07 56.20 2j3k s TYR 109 Cb 0.08 -0.45 -0.03 0.00 -0.11 0.00 0.00 41.96 41.45 2j3k s TYR 109 CO 0.83 -0.45 -0.16 -1.12 -1.11 0.00 0.00 175.55 173.54 2j3k s SER 110 N 2.25 3.92 -0.31 2.29 0.01 -0.81 -4.98 113.70 116.07 2j3k s SER 110 Ca 0.04 -0.26 -0.10 0.00 1.31 0.00 0.00 55.95 56.95 2j3k s SER 110 Cb -0.15 -0.77 -0.01 0.00 0.21 0.00 0.00 66.02 65.31 2j3k s SER 110 CO -0.09 0.33 0.15 0.54 0.41 0.00 0.00 173.24 174.58 2j3k s VAL 111 N -0.76 4.63 0.14 3.43 0.11 -1.26 -0.46 120.40 126.23 2j3k s VAL 111 Ca 0.12 -0.37 0.06 0.00 -2.93 0.00 0.00 61.98 58.86 2j3k s VAL 111 Cb -0.11 -3.34 -0.04 0.00 -1.53 0.00 0.00 36.38 31.37 2j3k s VAL 111 CO 0.01 0.09 -0.13 0.27 -3.33 0.00 0.00 175.10 172.02 2j3k s ILE 112 N 1.62 1.37 -0.32 7.04 -4.36 -1.05 -5.01 121.20 120.50 2j3k s ILE 112 Ca 0.05 -1.90 -0.08 0.00 -0.26 0.00 0.00 60.65 58.45 2j3k s ILE 112 Cb -0.17 -1.72 0.01 0.00 1.25 0.00 0.00 42.46 41.84 2j3k s ILE 112 CO 0.06 -0.54 0.12 -0.89 0.24 0.00 0.00 174.94 173.94 2j3k s THR 113 N -2.60 4.16 -0.68 8.37 2.01 -1.26 -0.90 115.64 124.73 2j3k s THR 113 Ca 0.14 -0.72 -0.26 0.00 0.31 0.00 0.00 61.69 61.15 2j3k s THR 113 Cb -0.02 -3.20 0.04 0.00 0.01 0.00 0.00 72.50 69.33 2j3k s THR 113 CO 0.03 -0.01 1.18 -2.84 -0.69 0.00 0.00 174.62 172.30 2j3k s PRO 114 N 1.52 3.24 -0.17 4.92 0.02 -1.26 -5.02 135.00 138.25 2j3k s PRO 114 Ca 0.02 -0.27 -0.08 0.00 0.02 0.00 0.00 61.00 60.69 2j3k s PRO 114 Cb -0.18 -4.15 -0.04 0.00 0.02 0.00 0.00 34.50 30.15 2j3k s PRO 114 CO 0.04 -1.96 0.10 -1.64 -0.33 0.00 0.00 177.00 173.20 2j3k s MET 115 N 5.17 3.87 0.22 5.54 -1.94 -1.26 -4.98 119.30 125.91 2j3k s MET 115 Ca 0.34 -0.26 -0.07 0.00 -1.71 0.00 0.00 55.69 53.99 2j3k s MET 115 Cb -0.10 -3.25 0.36 0.00 2.01 0.00 0.00 34.83 33.85 2j3k s MET 115 CO 0.16 0.42 1.24 0.25 -0.01 0.00 0.00 175.02 177.09 2j3k n THR 116 N 3.10 -0.34 -2.83 2.05 -2.24 -1.26 -1.94 114.28 110.82 2j3k n THR 116 Ca -0.17 1.83 -0.29 0.00 -2.27 0.00 0.00 64.05 63.15 2j3k n THR 116 Cb 0.53 -2.53 -0.03 0.00 -2.10 0.00 0.00 70.33 66.21 2j3k n THR 116 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2j3k n HIS 117 N -5.30 3.80 0.01 4.78 8.25 -1.26 -4.01 115.22 121.50 2j3k n HIS 117 Ca 0.13 -3.67 0.00 0.00 -0.26 0.00 0.00 57.72 53.91 2j3k n HIS 117 Cb 0.40 -0.55 0.00 0.00 1.12 0.00 0.00 29.99 30.96 2j3k n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2j3k n ALA 118 N -0.26 0.77 -3.61 -1.41 0.00 -1.13 -5.03 120.51 109.83 2j3k n ALA 118 Ca 0.34 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.49 2j3k n ALA 118 Cb 0.40 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.69 2j3k n ALA 118 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2j3k s HIS 119 N -2.00 2.15 -0.06 0.00 4.02 -0.82 -4.00 115.29 114.57 2j3k s HIS 119 Ca 0.00 -1.00 0.04 0.00 1.02 0.00 0.00 55.06 55.11 2j3k s HIS 119 Cb 0.00 -1.51 0.00 0.00 -1.02 0.00 0.00 32.58 30.05 2j3k s HIS 119 CO 0.00 -0.49 -0.17 -0.06 1.02 0.00 0.00 174.74 175.04 2j3k s PHE 120 N 0.87 1.79 0.12 1.40 0.40 -0.16 -4.38 117.98 118.02 2j3k s PHE 120 Ca -0.08 -0.61 -0.30 0.00 -0.60 0.00 0.00 56.93 55.33 2j3k s PHE 120 Cb -0.15 -1.23 -0.06 0.00 0.51 0.00 0.00 43.02 42.08 2j3k s PHE 120 CO -0.00 -0.25 1.07 0.21 0.70 0.00 0.00 175.22 176.95 2j3k s LYS 121 N 0.31 4.58 -0.19 0.44 2.20 -1.26 -1.00 119.74 124.82 2j3k s LYS 121 Ca -0.10 1.63 -0.13 0.00 -0.36 0.00 0.00 55.97 57.01 2j3k s LYS 121 Cb -0.14 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 2j3k s LYS 121 CO 0.04 0.03 0.26 0.42 -0.36 0.00 0.00 175.35 175.74 2j3k s ILE 122 N 0.20 5.31 -0.09 5.43 1.01 0.46 -4.94 121.20 128.58 2j3k s ILE 122 Ca 0.51 0.44 0.05 0.00 0.00 0.00 0.00 60.65 61.65 2j3k s ILE 122 Cb -0.27 -3.60 -0.06 0.00 0.01 0.00 0.00 42.46 38.54 2j3k s ILE 122 CO 0.32 0.36 0.14 0.00 0.00 0.00 0.00 174.94 175.75 2j3k n GLN 123 N 3.92 2.30 -3.82 2.79 3.00 -1.26 -4.34 117.38 119.97 2j3k n GLN 123 Ca -0.12 -0.03 -0.35 0.00 -0.01 0.00 0.00 57.00 56.49 2j3k n GLN 123 Cb 0.52 -0.95 -0.12 0.00 0.00 0.00 0.00 30.24 29.69 2j3k n GLN 123 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 2j3k s HIS 124 N -1.96 3.51 -1.71 1.08 3.76 -1.26 -4.95 115.29 113.76 2j3k s HIS 124 Ca -0.00 -2.70 0.19 0.00 -0.15 0.00 0.00 55.06 52.40 2j3k s HIS 124 Cb 0.03 -3.12 0.61 0.00 1.11 0.00 0.00 32.58 31.22 2j3k s HIS 124 CO 0.19 -0.90 1.51 0.25 -0.85 0.00 0.00 174.74 174.94 2j3k n THR 125 N 4.01 1.16 -0.63 1.30 -2.24 -1.26 -4.57 114.28 112.05 2j3k n THR 125 Ca 0.03 -0.95 -0.12 0.00 -2.27 0.00 0.00 64.05 60.74 2j3k n THR 125 Cb 0.39 0.32 0.19 0.00 -2.10 0.00 0.00 70.33 69.13 2j3k n THR 125 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2j3k n ASP 126 N 1.30 3.89 -3.84 3.42 5.75 -1.26 -4.75 116.55 121.06 2j3k n ASP 126 Ca 0.23 -3.08 -0.10 0.00 -0.01 0.00 0.00 54.79 51.83 2j3k n ASP 126 Cb 0.65 -0.73 -0.08 0.00 -1.03 0.00 0.00 41.12 39.94 2j3k n ASP 126 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2j3k s VAL 127 N -2.47 0.12 0.38 2.12 0.11 -1.26 -4.95 120.40 114.45 2j3k s VAL 127 Ca 0.43 -1.01 -0.27 0.00 -2.93 0.00 0.00 61.98 58.20 2j3k s VAL 127 Cb 0.35 -1.13 -0.11 0.00 -1.53 0.00 0.00 36.38 33.96 2j3k s VAL 127 CO 0.10 -0.56 1.32 -2.65 -3.33 0.00 0.00 175.10 169.98 2j3k n PRO 128 N 0.29 2.15 0.00 1.54 -0.02 -1.26 -4.93 135.00 132.77 2j3k n PRO 128 Ca -0.17 0.76 0.15 0.00 -2.02 0.00 0.00 63.50 62.22 2j3k n PRO 128 Cb 0.61 -2.41 0.83 0.00 -0.02 0.00 0.00 33.50 32.51 2j3k n PRO 128 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2j3k n LEU 129 N 0.48 0.38 0.10 2.45 7.99 -1.26 -2.99 117.00 124.14 2j3k n LEU 129 Ca 0.05 -0.12 -0.01 0.00 -0.01 0.00 0.00 56.01 55.92 2j3k n LEU 129 Cb 0.38 -0.01 -0.04 0.00 -0.11 0.00 0.00 43.42 43.64 2j3k n LEU 129 CO 0.61 0.06 0.24 0.77 -1.51 0.00 0.00 177.39 177.56 2j3k h SER 130 N 0.59 0.00 0.73 -1.43 4.64 -2.01 -3.30 113.55 112.78 2j3k h SER 130 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2j3k h SER 130 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2j3k h SER 130 CO 0.00 0.66 0.00 1.88 -0.87 0.00 0.00 176.83 178.50 2j3k h TYR 131 N 0.00 0.00 -0.43 4.77 0.99 -1.93 -3.04 116.97 117.33 2j3k h TYR 131 Ca -0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.69 2j3k h TYR 131 Cb 1.54 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.27 2j3k h TYR 131 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 178.16 178.82 2j3k n TYR 132 N -2.75 0.68 0.15 4.88 4.02 -1.24 -0.67 117.16 122.24 2j3k n TYR 132 Ca 0.01 -0.31 0.07 0.00 -0.01 0.00 0.00 57.90 57.65 2j3k n TYR 132 Cb 0.23 -0.05 -0.10 0.00 -0.02 0.00 0.00 39.34 39.41 2j3k n TYR 132 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2j3k n THR 133 N 0.74 0.00 0.00 -0.72 -2.24 -1.15 -4.28 114.28 106.63 2j3k n THR 133 Ca 0.15 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2j3k n THR 133 Cb 0.44 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 2j3k n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j3k n GLY 134 N 1.62 1.10 0.26 3.38 0.00 -0.93 -4.21 105.19 106.41 2j3k n GLY 134 Ca -0.01 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 45.99 2j3k n GLY 134 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2j3k h LEU 135 N 0.00 0.12 -3.18 0.99 6.46 -1.33 0.15 115.31 118.53 2j3k h LEU 135 Ca 0.00 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 2j3k h LEU 135 Cb 0.00 0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 2j3k h LEU 135 CO 0.00 0.04 0.00 0.18 -0.62 0.00 0.00 178.44 178.04 2j3k n LEU 136 N -5.08 3.64 0.00 2.25 4.77 0.16 -4.01 117.00 118.72 2j3k n LEU 136 Ca 0.13 -2.81 0.00 0.00 -0.03 0.00 0.00 56.01 53.29 2j3k n LEU 136 Cb 0.40 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2j3k n LEU 136 CO 0.16 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 2j3k n GLY 137 N -0.34 5.72 0.14 -0.72 0.00 -0.87 -4.70 105.19 104.41 2j3k n GLY 137 Ca 0.19 -1.89 -0.00 0.00 0.00 0.00 0.00 46.02 44.32 2j3k n GLY 137 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2j3k h MET 138 N 0.00 0.00 -0.18 1.61 4.05 -1.73 -3.01 114.93 115.67 2j3k h MET 138 Ca 0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 2j3k h MET 138 Cb 0.00 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 2j3k h MET 138 CO 0.00 0.61 0.03 -1.35 0.23 0.00 0.00 176.91 176.43 2j3k h PRO 139 N 0.00 0.25 0.00 0.39 0.11 -1.75 -3.32 132.00 127.69 2j3k h PRO 139 Ca -0.01 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 65.89 2j3k h PRO 139 Cb 1.16 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 2j3k h PRO 139 CO 0.08 0.26 -0.89 0.78 -0.21 0.00 0.00 178.00 178.01 2j3k h GLY 140 N 0.46 0.00 1.66 -0.55 0.00 -0.63 -3.10 103.07 100.91 2j3k h GLY 140 Ca 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.23 2j3k h GLY 140 CO -0.00 0.00 -0.66 1.98 0.00 0.00 0.00 176.54 177.86 2j3k h MET 141 N 0.00 0.34 -0.05 4.80 -1.53 -1.67 -2.44 114.93 114.38 2j3k h MET 141 Ca -0.01 -0.26 -0.05 0.00 -3.44 0.00 0.00 59.70 55.95 2j3k h MET 141 Cb 1.67 0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 32.76 2j3k h MET 141 CO 0.12 0.88 -0.18 1.15 0.14 0.00 0.00 176.91 179.02 2j3k h THR 142 N 0.24 1.16 0.10 -0.77 2.02 -1.65 -0.24 112.91 113.77 2j3k h THR 142 Ca -0.02 -0.74 -0.27 0.00 0.77 0.00 0.00 66.41 66.16 2j3k h THR 142 Cb 1.21 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 2j3k h THR 142 CO 0.11 0.22 -1.27 0.00 0.37 0.00 0.00 175.52 174.95 2j3k h ALA 143 N 1.74 0.19 0.40 6.16 0.00 -1.45 -2.29 119.26 124.02 2j3k h ALA 143 Ca 0.01 -0.95 -0.02 0.00 0.00 0.00 0.00 54.91 53.95 2j3k h ALA 143 Cb 0.37 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2j3k h ALA 143 CO 0.03 1.07 -0.19 -0.92 0.00 0.00 0.00 179.25 179.24 2j3k h TYR 144 N 0.06 -0.49 -0.75 0.00 3.20 -1.02 -2.53 116.97 115.44 2j3k h TYR 144 Ca -0.14 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.67 2j3k h TYR 144 Cb 1.95 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 40.35 2j3k h TYR 144 CO 0.05 -0.17 0.27 0.00 -1.64 0.00 0.00 178.16 176.68 2j3k h ALA 145 N -0.44 0.98 0.00 1.82 0.00 -1.22 -0.76 119.26 119.64 2j3k h ALA 145 Ca -0.05 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.47 2j3k h ALA 145 Cb 0.55 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2j3k h ALA 145 CO 0.09 0.62 -0.87 0.78 0.00 0.00 0.00 179.25 179.88 2j3k h GLY 146 N 1.09 0.00 0.71 0.00 0.00 -1.53 -3.14 103.07 100.19 2j3k h GLY 146 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.22 2j3k h GLY 146 CO -0.02 0.00 -1.88 -2.75 0.00 0.00 0.00 176.54 171.89 2j3k h PHE 147 N 0.00 0.56 0.00 5.60 3.04 -1.40 -3.08 116.94 121.66 2j3k h PHE 147 Ca -0.01 -0.41 -0.12 0.00 3.98 0.00 0.00 57.97 61.41 2j3k h PHE 147 Cb 1.57 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 40.03 2j3k h PHE 147 CO 0.00 1.74 -0.97 1.88 -2.02 0.00 0.00 178.31 178.94 2j3k h TYR 148 N 0.05 0.00 0.00 0.41 0.99 -1.28 -3.23 116.97 113.92 2j3k h TYR 148 Ca -0.39 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.30 2j3k h TYR 148 Cb 2.04 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 39.76 2j3k h TYR 148 CO 0.09 0.46 -1.03 0.39 -0.00 0.00 0.00 178.16 178.07 2j3k n GLU 149 N -3.00 0.52 0.09 4.88 4.71 -1.19 -4.51 120.64 122.14 2j3k n GLU 149 Ca -0.04 0.26 -0.05 0.00 -0.01 0.00 0.00 57.16 57.33 2j3k n GLU 149 Cb 0.76 -1.48 0.12 0.00 -1.01 0.00 0.00 31.44 29.83 2j3k n GLU 149 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2j3k h VAL 150 N -1.00 1.39 0.00 2.62 2.07 -1.71 -3.09 116.25 116.53 2j3k h VAL 150 Ca -0.05 -2.01 0.00 0.00 0.82 0.00 0.00 66.70 65.46 2j3k h VAL 150 Cb 0.97 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 2j3k h VAL 150 CO -0.03 0.59 -0.85 0.00 0.02 0.00 0.00 177.57 177.30 2j3k n SER 152 N -2.21 -3.16 -4.80 0.00 3.41 -1.17 -4.78 113.62 100.91 2j3k n SER 152 Ca 0.02 -0.31 -0.39 0.00 -0.26 0.00 0.00 58.87 57.93 2j3k n SER 152 Cb 0.47 -0.97 -0.06 0.00 -0.26 0.00 0.00 64.21 63.39 2j3k n SER 152 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2j3k s PRO 153 N -2.45 4.30 0.21 4.33 0.04 -1.26 -5.05 135.00 135.12 2j3k s PRO 153 Ca 0.14 0.85 0.09 0.00 0.04 0.00 0.00 61.00 62.12 2j3k s PRO 153 Cb -0.01 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 2j3k s PRO 153 CO 0.54 0.61 -0.08 0.21 0.04 0.00 0.00 177.00 178.33 2j3k s LYS 154 N -1.16 2.10 0.34 4.56 2.47 -1.26 -5.13 119.74 121.66 2j3k s LYS 154 Ca 0.31 -1.34 -0.27 0.00 -1.56 0.00 0.00 55.97 53.11 2j3k s LYS 154 Cb -0.20 -2.13 -0.09 0.00 -1.46 0.00 0.00 37.83 33.94 2j3k s LYS 154 CO 0.21 0.41 1.05 -1.83 0.16 0.00 0.00 175.35 175.35 2j3k s GLU 155 N -3.11 4.43 0.00 4.03 -1.05 -1.26 -3.56 118.70 118.18 2j3k s GLU 155 Ca 0.27 1.60 0.00 0.00 -0.15 0.00 0.00 54.97 56.69 2j3k s GLU 155 Cb -0.08 -2.86 0.00 0.00 -0.44 0.00 0.00 34.13 30.76 2j3k s GLU 155 CO 0.16 0.08 0.00 0.41 0.95 0.00 0.00 175.26 176.86 2j3k n GLY 156 N 0.76 3.03 3.71 -3.83 0.00 -0.30 -4.94 105.19 103.61 2j3k n GLY 156 Ca 0.02 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 2j3k n GLY 156 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2j3k n GLU 157 N 0.00 2.10 -3.44 1.61 1.02 -1.23 -4.19 120.64 116.51 2j3k n GLU 157 Ca 0.00 0.74 -0.38 0.00 -0.02 0.00 0.00 57.16 57.50 2j3k n GLU 157 Cb 0.00 -2.39 -0.08 0.00 -0.02 0.00 0.00 31.44 28.96 2j3k n GLU 157 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2j3k s THR 158 N -1.14 5.23 -0.12 2.62 -4.23 -1.26 -3.30 115.64 113.43 2j3k s THR 158 Ca 0.58 0.61 -0.05 0.00 -1.18 0.00 0.00 61.69 61.65 2j3k s THR 158 Cb -0.53 -3.69 -0.04 0.00 1.34 0.00 0.00 72.50 69.58 2j3k s THR 158 CO 0.61 0.27 0.07 -0.69 -0.54 0.00 0.00 174.62 174.33 2j3k s VAL 159 N 1.28 4.90 -0.09 2.29 1.01 -0.14 -1.24 120.40 128.41 2j3k s VAL 159 Ca 0.17 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.16 2j3k s VAL 159 Cb -0.15 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.11 2j3k s VAL 159 CO 0.07 0.57 -0.18 -0.47 0.00 0.00 0.00 175.10 175.10 2j3k s TYR 160 N -0.63 2.05 -0.11 5.22 5.04 -0.59 -2.23 117.35 126.10 2j3k s TYR 160 Ca 0.11 -0.85 0.03 0.00 -2.44 0.00 0.00 57.07 53.93 2j3k s TYR 160 Cb -0.12 -1.43 -0.00 0.00 0.35 0.00 0.00 41.96 40.77 2j3k s TYR 160 CO 0.02 -0.38 -0.21 0.08 -1.34 0.00 0.00 175.55 173.72 2j3k s VAL 161 N 0.58 2.30 -0.04 3.14 1.01 -0.20 -0.92 120.40 126.27 2j3k s VAL 161 Ca -0.15 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 2j3k s VAL 161 Cb -0.17 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2j3k s VAL 161 CO 0.05 0.55 0.09 -0.94 0.00 0.00 0.00 175.10 174.85 2j3k s SER 162 N 0.43 5.84 -1.36 3.32 1.04 -1.20 -2.08 113.70 119.69 2j3k s SER 162 Ca -0.15 0.23 -0.15 0.00 0.48 0.00 0.00 55.95 56.36 2j3k s SER 162 Cb -0.17 -1.74 0.02 0.00 0.10 0.00 0.00 66.02 64.23 2j3k s SER 162 CO 0.06 0.31 0.40 0.00 0.98 0.00 0.00 173.24 175.00 2j3k n ALA 163 N 1.44 -2.29 0.20 5.32 0.00 -1.19 -4.39 120.51 119.59 2j3k n ALA 163 Ca -0.15 -0.44 0.05 0.00 0.00 0.00 0.00 53.44 52.90 2j3k n ALA 163 Cb 0.53 -1.93 0.41 0.00 0.00 0.00 0.00 19.45 18.46 2j3k n ALA 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j3k h ALA 164 N 1.12 1.24 -0.35 0.00 0.00 -1.76 -3.27 119.26 116.24 2j3k h ALA 164 Ca -0.68 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 53.93 2j3k h ALA 164 Cb 1.39 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2j3k h ALA 164 CO 0.60 0.43 0.23 0.66 0.00 0.00 0.00 179.25 181.17 2j3k h SER 165 N 0.00 0.40 -1.11 0.00 4.64 -1.88 -2.71 113.55 112.89 2j3k h SER 165 Ca -0.00 -0.02 -0.48 0.00 -0.47 0.00 0.00 61.79 60.82 2j3k h SER 165 Cb 0.69 -0.10 0.04 0.00 -0.31 0.00 0.00 62.40 62.71 2j3k h SER 165 CO 0.04 0.30 -0.06 -0.83 -0.87 0.00 0.00 176.83 175.41 2j3k s GLY 166 N -2.52 1.75 0.00 -0.77 0.00 -1.23 -4.17 107.32 100.37 2j3k s GLY 166 Ca -0.13 -2.04 0.00 0.00 0.00 0.00 0.00 44.72 42.55 2j3k s GLY 166 CO 0.72 -1.57 0.00 0.00 0.00 0.00 0.00 173.10 172.25 2j3k n ALA 167 N -2.35 0.00 -0.03 3.20 0.00 -1.26 -0.95 120.51 119.11 2j3k n ALA 167 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.43 2j3k n ALA 167 Cb 0.61 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.93 2j3k n ALA 167 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2j3k h VAL 168 N 0.00 1.64 -0.94 0.00 2.07 -1.86 -3.37 116.25 113.78 2j3k h VAL 168 Ca 0.00 -2.40 0.14 0.00 0.82 0.00 0.00 66.70 65.27 2j3k h VAL 168 Cb 0.00 3.25 -0.08 0.00 -1.52 0.00 0.00 31.29 32.94 2j3k h VAL 168 CO 0.00 0.63 0.60 1.23 0.02 0.00 0.00 177.57 180.04 2j3k h GLY 169 N -0.78 1.40 2.00 2.17 0.00 -1.34 -2.77 103.07 103.75 2j3k h GLY 169 Ca -0.07 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2j3k h GLY 169 CO 0.03 0.09 0.00 0.06 0.00 0.00 0.00 176.54 176.73 2j3k h GLN 170 N 0.79 0.00 0.09 4.80 3.07 -0.70 -3.06 115.11 120.09 2j3k h GLN 170 Ca 0.48 0.00 -0.32 0.00 0.09 0.00 0.00 58.65 58.90 2j3k h GLN 170 Cb 0.68 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.22 2j3k h GLN 170 CO -0.24 0.00 -1.69 1.25 0.09 0.00 0.00 178.83 178.24 2j3k h LEU 171 N 0.00 0.31 -1.12 0.06 5.85 -1.68 -3.27 115.31 115.46 2j3k h LEU 171 Ca 0.00 -0.53 0.10 0.00 0.84 0.00 0.00 57.88 58.29 2j3k h LEU 171 Cb 0.85 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.71 2j3k h LEU 171 CO 0.00 1.46 0.61 0.58 -0.34 0.00 0.00 178.44 180.74 2j3k h VAL 172 N 0.05 0.96 0.03 1.05 2.07 -1.43 -0.81 116.25 118.17 2j3k h VAL 172 Ca -0.30 -0.33 -0.22 0.00 0.82 0.00 0.00 66.70 66.68 2j3k h VAL 172 Cb 2.02 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 2j3k h VAL 172 CO 0.12 0.17 -1.03 1.23 0.02 0.00 0.00 177.57 178.09 2j3k h GLY 173 N 0.95 0.09 1.54 2.17 0.00 -1.73 -2.62 103.07 103.47 2j3k h GLY 173 Ca 0.45 -0.21 -0.21 0.00 0.00 0.00 0.00 47.33 47.36 2j3k h GLY 173 CO -0.21 0.18 -0.84 1.46 0.00 0.00 0.00 176.54 177.14 2j3k h GLN 174 N 0.02 0.43 0.00 4.80 4.20 -1.35 -2.52 115.11 120.70 2j3k h GLN 174 Ca -0.04 -0.41 -0.11 0.00 0.06 0.00 0.00 58.65 58.15 2j3k h GLN 174 Cb 1.77 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 29.64 2j3k h GLN 174 CO 0.15 1.06 -0.54 -0.07 -0.67 0.00 0.00 178.83 178.76 2j3k h LEU 175 N 0.27 0.00 0.04 1.46 3.38 -1.24 -3.23 115.31 115.99 2j3k h LEU 175 Ca -0.06 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.63 2j3k h LEU 175 Cb 1.45 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.22 2j3k h LEU 175 CO 0.15 0.54 -1.14 0.00 0.09 0.00 0.00 178.44 178.07 2j3k h ALA 176 N 1.46 0.09 -0.71 1.53 0.00 -1.46 -2.97 119.26 117.20 2j3k h ALA 176 Ca -0.01 -0.75 -0.48 0.00 0.00 0.00 0.00 54.91 53.68 2j3k h ALA 176 Cb 1.07 0.07 -0.21 0.00 0.00 0.00 0.00 17.79 18.73 2j3k h ALA 176 CO 0.07 0.72 0.62 1.17 0.00 0.00 0.00 179.25 181.83 2j3k n LYS 177 N -3.79 2.19 0.00 0.00 0.00 -0.95 -1.76 118.16 113.85 2j3k n LYS 177 Ca -0.12 -2.33 0.00 0.00 0.00 0.00 0.00 58.31 55.86 2j3k n LYS 177 Cb 0.94 -1.91 0.00 0.00 0.00 0.00 0.00 35.03 34.05 2j3k n LYS 177 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2j3k n MET 178 N -0.22 1.37 0.04 1.64 2.81 -1.23 -4.84 117.12 116.70 2j3k n MET 178 Ca 0.45 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 56.12 2j3k n MET 178 Cb 0.62 -0.48 -0.14 0.00 -0.71 0.00 0.00 33.22 32.50 2j3k n MET 178 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 2j3k h MET 179 N 0.00 0.32 0.00 0.03 4.05 -1.30 -3.49 114.93 114.53 2j3k h MET 179 Ca 0.00 -0.54 0.00 0.00 -0.28 0.00 0.00 59.70 58.88 2j3k h MET 179 Cb 0.00 0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.00 2j3k h MET 179 CO 0.00 1.26 0.00 0.41 0.23 0.00 0.00 176.91 178.81 2j3k n GLY 180 N 1.77 1.37 3.90 1.39 0.00 -0.96 -4.79 105.19 107.87 2j3k n GLY 180 Ca -0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 2j3k n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j3k s TYR 182 N -2.02 3.27 -0.10 0.00 5.04 -1.21 -4.31 117.35 118.03 2j3k s TYR 182 Ca 0.44 0.64 0.04 0.00 -2.44 0.00 0.00 57.07 55.75 2j3k s TYR 182 Cb -0.11 -2.71 -0.01 0.00 0.35 0.00 0.00 41.96 39.48 2j3k s TYR 182 CO 0.28 -0.27 -0.22 0.08 -1.34 0.00 0.00 175.55 174.09 2j3k s VAL 183 N 2.25 2.28 -0.05 3.14 1.01 -1.26 -0.96 120.40 126.81 2j3k s VAL 183 Ca 0.21 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.28 2j3k s VAL 183 Cb -0.16 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.34 2j3k s VAL 183 CO 0.09 0.56 -0.15 -0.69 0.00 0.00 0.00 175.10 174.90 2j3k s VAL 184 N 0.22 1.33 0.28 2.92 1.01 -0.95 -0.97 120.40 124.25 2j3k s VAL 184 Ca -0.14 -0.64 0.12 0.00 0.00 0.00 0.00 61.98 61.32 2j3k s VAL 184 Cb -0.17 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 2j3k s VAL 184 CO 0.07 0.39 -0.18 -0.83 0.00 0.00 0.00 175.10 174.56 2j3k s GLY 185 N 0.25 1.90 0.03 4.51 0.00 -1.16 -1.03 107.32 111.81 2j3k s GLY 185 Ca -0.08 -1.88 0.03 0.00 0.00 0.00 0.00 44.72 42.79 2j3k s GLY 185 CO 0.03 -1.96 -0.10 -1.35 0.00 0.00 0.00 173.10 169.72 2j3k s SER 186 N -3.53 1.22 0.18 1.64 1.04 -0.88 -2.74 113.70 110.63 2j3k s SER 186 Ca 0.30 -0.38 -0.10 0.00 0.48 0.00 0.00 55.95 56.26 2j3k s SER 186 Cb -0.04 -0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.00 2j3k s SER 186 CO 0.15 -0.01 0.32 0.00 0.98 0.00 0.00 173.24 174.69 2j3k s ALA 187 N -0.77 -0.01 -0.05 5.32 0.00 -1.14 -3.01 121.76 122.10 2j3k s ALA 187 Ca -0.01 -0.90 -0.24 0.00 0.00 0.00 0.00 51.96 50.81 2j3k s ALA 187 Cb -0.07 0.94 -0.19 0.00 0.00 0.00 0.00 23.12 23.80 2j3k s ALA 187 CO 0.01 -0.69 0.99 0.78 0.00 0.00 0.00 175.76 176.85 2j3k h GLY 188 N 2.48 -0.12 -2.20 0.00 0.00 -1.95 -2.95 103.07 98.33 2j3k h GLY 188 Ca -0.31 0.04 -0.53 0.00 0.00 0.00 0.00 47.33 46.54 2j3k h GLY 188 CO 0.46 -0.04 -0.47 -1.35 0.00 0.00 0.00 176.54 175.14 2j3k s SER 189 N -5.65 4.83 0.27 0.19 1.04 -1.26 -4.57 113.70 108.54 2j3k s SER 189 Ca -0.15 -0.79 -0.03 0.00 0.48 0.00 0.00 55.95 55.46 2j3k s SER 189 Cb 0.00 -0.66 0.36 0.00 0.10 0.00 0.00 66.02 65.82 2j3k s SER 189 CO 0.57 -0.47 1.83 0.07 0.98 0.00 0.00 173.24 176.23 2j3k h LYS 190 N 1.31 0.94 -0.02 4.02 2.10 -1.98 -1.79 116.57 121.15 2j3k h LYS 190 Ca -0.43 -0.17 -0.15 0.00 -2.00 0.00 0.00 60.65 57.90 2j3k h LYS 190 Cb 1.26 -0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 32.42 2j3k h LYS 190 CO 0.62 0.79 -0.67 1.05 -2.00 0.00 0.00 179.45 179.24 2j3k h GLU 191 N 0.92 0.10 -0.35 0.07 4.11 -1.99 -1.02 114.58 116.42 2j3k h GLU 191 Ca 0.21 -0.08 -0.17 0.00 0.07 0.00 0.00 59.36 59.39 2j3k h GLU 191 Cb 0.22 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2j3k h GLU 191 CO -0.01 0.74 -0.43 0.87 0.07 0.00 0.00 179.01 180.24 2j3k h LYS 192 N 0.07 0.89 0.00 1.06 1.57 -1.93 -3.12 116.57 115.11 2j3k h LYS 192 Ca -0.01 -0.50 -0.09 0.00 -1.87 0.00 0.00 60.65 58.18 2j3k h LYS 192 Cb 1.20 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 2j3k h LYS 192 CO 0.10 1.14 -0.44 0.28 -0.57 0.00 0.00 179.45 179.95 2j3k h VAL 193 N 0.72 1.07 0.00 0.50 2.07 -1.17 -3.23 116.25 116.20 2j3k h VAL 193 Ca 0.05 -1.67 -0.05 0.00 0.82 0.00 0.00 66.70 65.85 2j3k h VAL 193 Cb 1.03 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 2j3k h VAL 193 CO 0.10 0.44 -0.22 0.44 0.02 0.00 0.00 177.57 178.34 2j3k h ASP 194 N 0.00 0.00 0.73 0.57 3.45 -1.13 -3.23 116.42 116.81 2j3k h ASP 194 Ca -0.00 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.32 2j3k h ASP 194 Cb 0.93 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.69 2j3k h ASP 194 CO 0.06 0.22 -0.63 -0.07 -1.57 0.00 0.00 179.24 177.26 2j3k h LEU 195 N 0.00 0.00 -1.12 1.55 3.38 -1.57 -2.16 115.31 115.39 2j3k h LEU 195 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2j3k h LEU 195 Cb 0.97 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2j3k h LEU 195 CO 0.03 0.63 -0.24 -0.07 0.09 0.00 0.00 178.44 178.88 2j3k h LEU 196 N 0.00 0.32 0.03 1.67 3.38 -1.68 -1.01 115.31 118.02 2j3k h LEU 196 Ca -0.01 -0.10 -0.36 0.00 0.09 0.00 0.00 57.88 57.51 2j3k h LEU 196 Cb 1.16 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 2j3k h LEU 196 CO 0.08 0.57 -2.19 0.29 0.09 0.00 0.00 178.44 177.28 2j3k n LYS 197 N -4.16 0.68 0.02 1.13 5.02 -1.24 -0.29 118.16 119.33 2j3k n LYS 197 Ca -0.01 0.16 -0.12 0.00 -2.02 0.00 0.00 58.31 56.33 2j3k n LYS 197 Cb 0.37 -1.62 -0.09 0.00 -0.02 0.00 0.00 35.03 33.67 2j3k n LYS 197 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2j3k h THR 198 N 0.02 1.11 0.00 -0.18 2.02 -1.36 -3.35 112.91 111.16 2j3k h THR 198 Ca -0.48 -1.28 -0.33 0.00 0.77 0.00 0.00 66.41 65.10 2j3k h THR 198 Cb 2.05 1.86 -0.05 0.00 -1.74 0.00 0.00 68.15 70.27 2j3k h THR 198 CO 0.02 0.29 -2.08 1.17 0.37 0.00 0.00 175.52 175.29 2j3k n LYS 199 N -4.87 0.57 0.11 6.66 4.81 -0.44 -4.67 118.16 120.34 2j3k n LYS 199 Ca -0.08 0.26 0.12 0.00 -0.87 0.00 0.00 58.31 57.73 2j3k n LYS 199 Cb 0.29 -1.48 0.12 0.00 0.02 0.00 0.00 35.03 33.97 2j3k n LYS 199 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 2j3k h PHE 200 N -1.00 0.00 -5.71 5.64 0.04 -1.57 -3.49 116.94 110.85 2j3k h PHE 200 Ca -0.50 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.04 2j3k h PHE 200 Cb 1.43 0.00 0.10 0.00 2.20 0.00 0.00 35.95 39.68 2j3k h PHE 200 CO -0.18 0.00 -0.63 0.41 -0.60 0.00 0.00 178.31 177.31 2j3k n GLY 201 N 1.22 -1.16 3.94 -1.45 0.00 -0.55 -4.69 105.19 102.50 2j3k n GLY 201 Ca 0.02 0.52 -0.26 0.00 0.00 0.00 0.00 46.02 46.30 2j3k n GLY 201 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2j3k s PHE 202 N -3.26 2.40 0.01 1.61 2.99 0.61 -4.98 117.98 117.37 2j3k s PHE 202 Ca 0.29 0.30 0.01 0.00 0.00 0.00 0.00 56.93 57.53 2j3k s PHE 202 Cb -0.06 -3.37 -0.26 0.00 0.00 0.00 0.00 43.02 39.32 2j3k s PHE 202 CO 0.78 -1.74 0.89 -0.44 -0.00 0.00 0.00 175.22 174.71 2j3k h ASP 203 N -0.83 0.27 -5.08 1.36 3.32 -1.37 -3.43 116.42 110.67 2j3k h ASP 203 Ca -0.43 -0.39 -0.02 0.00 0.02 0.00 0.00 57.03 56.22 2j3k h ASP 203 Cb 1.29 -0.09 -0.10 0.00 0.22 0.00 0.00 39.33 40.65 2j3k h ASP 203 CO 0.52 1.32 0.05 -0.62 -1.72 0.00 0.00 179.24 178.80 2j3k s ASP 204 N -6.81 -0.28 0.01 6.45 3.68 -1.22 -5.07 116.67 113.44 2j3k s ASP 204 Ca -0.07 -0.46 -0.28 0.00 2.13 0.00 0.00 52.55 53.87 2j3k s ASP 204 Cb 0.07 0.59 0.09 0.00 -1.45 0.00 0.00 42.92 42.22 2j3k s ASP 204 CO 0.84 -1.07 0.77 0.00 0.13 0.00 0.00 175.17 175.85 2j3k s ALA 205 N -3.87 -1.76 0.14 3.66 0.00 -1.26 -2.99 121.76 115.68 2j3k s ALA 205 Ca 0.09 1.00 -0.06 0.00 0.00 0.00 0.00 51.96 52.99 2j3k s ALA 205 Cb -0.01 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 2j3k s ALA 205 CO -0.03 -0.59 0.19 -0.59 0.00 0.00 0.00 175.76 174.74 2j3k s PHE 206 N -2.63 0.52 -0.39 0.00 -0.12 -1.11 -4.99 117.98 109.26 2j3k s PHE 206 Ca -0.00 -0.90 -0.14 0.00 -0.05 0.00 0.00 56.93 55.84 2j3k s PHE 206 Cb -0.01 -0.20 0.02 0.00 -0.63 0.00 0.00 43.02 42.20 2j3k s PHE 206 CO -0.05 -0.63 0.27 1.21 -0.05 0.00 0.00 175.22 175.98 2j3k s ASN 207 N -2.98 6.02 0.57 1.98 3.84 -1.26 -2.86 114.94 120.25 2j3k s ASN 207 Ca 0.18 -0.86 0.35 0.00 0.21 0.00 0.00 52.86 52.73 2j3k s ASN 207 Cb 0.05 -2.13 1.67 0.00 -0.55 0.00 0.00 41.25 40.29 2j3k s ASN 207 CO -0.01 -0.41 2.11 0.10 -2.79 0.00 0.00 177.10 176.09 2j3k h TYR 208 N 8.57 0.00 0.00 0.43 -0.00 -1.82 -1.73 116.97 122.42 2j3k h TYR 208 Ca -0.27 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.38 2j3k h TYR 208 Cb 1.12 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.84 2j3k h TYR 208 CO 0.57 0.04 -0.37 0.87 -0.00 0.00 0.00 178.16 179.27 2j3k h LYS 209 N 0.00 0.00 -0.01 0.10 1.57 -1.80 -2.97 116.57 113.45 2j3k h LYS 209 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2j3k h LYS 209 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2j3k h LYS 209 CO 0.00 0.37 -0.04 0.39 -0.57 0.00 0.00 179.45 179.60 2j3k n GLU 210 N -3.28 1.42 -3.76 3.15 4.71 -0.66 -4.77 120.64 117.45 2j3k n GLU 210 Ca 0.02 -0.75 -0.37 0.00 -0.01 0.00 0.00 57.16 56.04 2j3k n GLU 210 Cb 0.61 -1.48 -0.13 0.00 -1.01 0.00 0.00 31.44 29.43 2j3k n GLU 210 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2j3k s GLU 211 N -2.10 3.02 0.20 3.49 0.41 -1.12 -4.85 118.70 117.74 2j3k s GLU 211 Ca 0.37 -0.91 0.24 0.00 -0.41 0.00 0.00 54.97 54.26 2j3k s GLU 211 Cb 0.21 -3.38 0.41 0.00 -1.78 0.00 0.00 34.13 29.59 2j3k s GLU 211 CO 0.37 -0.48 1.43 0.66 -0.49 0.00 0.00 175.26 176.76 2j3k h SER 212 N 8.23 0.00 -1.99 -0.19 4.64 -1.86 -3.41 113.55 118.98 2j3k h SER 212 Ca -0.30 -0.10 -0.57 0.00 -0.47 0.00 0.00 61.79 60.35 2j3k h SER 212 Cb 1.12 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.79 2j3k h SER 212 CO 0.60 0.05 -0.75 -0.90 -0.87 0.00 0.00 176.83 174.97 2j3k n ASP 213 N -2.36 4.06 0.27 4.97 3.85 -1.26 -5.00 116.55 121.07 2j3k n ASP 213 Ca 0.03 -3.59 0.13 0.00 -0.71 0.00 0.00 54.79 50.65 2j3k n ASP 213 Cb 0.47 -0.54 0.76 0.00 -1.35 0.00 0.00 41.12 40.46 2j3k n ASP 213 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.20 176.12 2j3k h LEU 214 N 2.87 0.00 0.16 -2.12 3.38 -1.94 0.36 115.31 118.02 2j3k h LEU 214 Ca 0.16 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.83 2j3k h LEU 214 Cb 0.69 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.45 2j3k h LEU 214 CO 0.78 0.09 -1.48 0.74 0.09 0.00 0.00 178.44 178.66 2j3k h THR 215 N 0.00 1.07 0.00 0.22 2.02 -1.95 -3.19 112.91 111.08 2j3k h THR 215 Ca -0.00 -2.48 -0.05 0.00 0.77 0.00 0.00 66.41 64.64 2j3k h THR 215 Cb 0.23 2.82 -0.01 0.00 -1.74 0.00 0.00 68.15 69.45 2j3k h THR 215 CO 0.01 0.77 -0.25 0.00 0.37 0.00 0.00 175.52 176.42 2j3k h ALA 216 N 0.04 1.07 -0.35 6.16 0.00 -1.87 -2.10 119.26 122.21 2j3k h ALA 216 Ca -0.30 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 2j3k h ALA 216 Cb 1.91 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 2j3k h ALA 216 CO 0.13 0.31 0.01 0.00 0.00 0.00 0.00 179.25 179.71 2j3k h ALA 217 N 1.75 0.47 0.00 0.00 0.00 -1.05 -1.06 119.26 119.36 2j3k h ALA 217 Ca -0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 2j3k h ALA 217 Cb 0.71 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2j3k h ALA 217 CO 0.03 0.22 -0.62 -0.07 0.00 0.00 0.00 179.25 178.81 2j3k h LEU 218 N 0.42 0.00 -0.44 0.00 3.38 -1.54 -1.94 115.31 115.19 2j3k h LEU 218 Ca 0.10 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.90 2j3k h LEU 218 Cb 0.44 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2j3k h LEU 218 CO 0.02 0.62 -0.78 0.07 0.09 0.00 0.00 178.44 178.45 2j3k h LYS 219 N 0.00 0.04 0.28 1.13 2.10 -1.24 -2.79 116.57 116.08 2j3k h LYS 219 Ca -0.01 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 2j3k h LYS 219 Cb 1.44 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.79 2j3k h LYS 219 CO 0.08 0.80 -0.13 -0.09 -2.00 0.00 0.00 179.45 178.10 2j3k h ARG 220 N 0.02 -0.36 0.00 0.07 2.43 -1.16 -3.31 114.38 112.07 2j3k h ARG 220 Ca -0.01 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2j3k h ARG 220 Cb 1.37 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 31.00 2j3k h ARG 220 CO 0.10 -0.02 -0.06 0.00 -1.51 0.00 0.00 179.97 178.49 2j3k s PHE 222 N -4.15 2.14 -1.65 0.00 0.40 -1.06 -4.98 117.98 108.69 2j3k s PHE 222 Ca -0.03 -2.54 0.10 0.00 -0.60 0.00 0.00 56.93 53.87 2j3k s PHE 222 Cb 0.13 -1.98 0.56 0.00 0.51 0.00 0.00 43.02 42.24 2j3k s PHE 222 CO 0.53 -0.77 1.16 -0.35 0.70 0.00 0.00 175.22 176.49 2j3k n PRO 223 N 3.39 0.22 0.00 0.24 -0.04 -1.25 -3.44 135.00 134.12 2j3k n PRO 223 Ca 0.10 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2j3k n PRO 223 Cb 0.35 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 2j3k n PRO 223 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2j3k n ASN 224 N -1.18 0.26 0.00 3.54 3.02 -1.26 -5.16 115.26 114.48 2j3k n ASN 224 Ca 0.06 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 2j3k n ASN 224 Cb 0.06 0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 2j3k n ASN 224 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2j3k n GLY 225 N 0.07 -1.21 3.25 7.41 0.00 -1.22 -4.93 105.19 108.55 2j3k n GLY 225 Ca 0.00 -1.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 2j3k n GLY 225 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2j3k s ILE 226 N -1.25 2.92 -0.16 -0.61 1.01 -1.09 -4.72 121.20 117.30 2j3k s ILE 226 Ca 0.00 -0.65 -0.17 0.00 0.00 0.00 0.00 60.65 59.84 2j3k s ILE 226 Cb 0.00 -2.30 -0.23 0.00 0.01 0.00 0.00 42.46 39.94 2j3k s ILE 226 CO 0.00 0.46 0.34 0.44 0.00 0.00 0.00 174.94 176.18 2j3k h ASP 227 N 8.04 0.18 -4.21 3.58 3.32 -1.80 -2.13 116.42 123.41 2j3k h ASP 227 Ca -0.43 -0.71 -0.68 0.00 0.02 0.00 0.00 57.03 55.23 2j3k h ASP 227 Cb 1.15 -0.06 -0.25 0.00 0.22 0.00 0.00 39.33 40.39 2j3k h ASP 227 CO 0.62 1.60 -0.87 -0.63 -1.72 0.00 0.00 179.24 178.23 2j3k s ILE 228 N -2.43 2.11 -0.02 0.35 1.01 -0.38 -0.96 121.20 120.89 2j3k s ILE 228 Ca -0.25 -1.46 -0.02 0.00 0.00 0.00 0.00 60.65 58.92 2j3k s ILE 228 Cb 0.05 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.70 2j3k s ILE 228 CO 0.68 0.28 0.05 -0.47 0.00 0.00 0.00 174.94 175.47 2j3k s TYR 229 N -0.87 -0.04 -0.38 3.97 5.04 -1.02 -1.55 117.35 122.50 2j3k s TYR 229 Ca 0.12 0.09 -0.01 0.00 -2.44 0.00 0.00 57.07 54.83 2j3k s TYR 229 Cb -0.10 0.01 0.10 0.00 0.35 0.00 0.00 41.96 42.32 2j3k s TYR 229 CO 0.03 -0.04 0.15 0.12 -1.34 0.00 0.00 175.55 174.47 2j3k s PHE 230 N -0.07 3.59 -0.52 4.97 5.36 -0.09 -0.48 117.98 130.74 2j3k s PHE 230 Ca -0.01 -2.48 -0.25 0.00 -0.96 0.00 0.00 56.93 53.22 2j3k s PHE 230 Cb -0.01 -3.05 0.03 0.00 -0.34 0.00 0.00 43.02 39.66 2j3k s PHE 230 CO 0.00 -0.95 0.98 -2.00 -1.46 0.00 0.00 175.22 171.79 2j3k s GLU 231 N 1.10 3.44 -0.05 10.12 2.56 0.13 -3.26 118.70 132.74 2j3k s GLU 231 Ca 0.07 -0.02 0.11 0.00 0.00 0.00 0.00 54.97 55.13 2j3k s GLU 231 Cb -0.22 -4.00 -0.16 0.00 2.00 0.00 0.00 34.13 31.76 2j3k s GLU 231 CO -0.05 -1.42 0.16 0.09 -0.56 0.00 0.00 175.26 173.48 2j3k n ASN 232 N 7.52 2.37 0.00 -1.70 3.02 -1.26 -0.71 115.26 124.50 2j3k n ASN 232 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 2j3k n ASN 232 Cb 0.48 1.19 0.00 0.00 -0.61 0.00 0.00 39.78 40.84 2j3k n ASN 232 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2j3k n VAL 233 N -2.12 0.00 0.00 2.41 0.31 -1.26 -1.99 118.33 115.69 2j3k n VAL 233 Ca -0.09 0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 2j3k n VAL 233 Cb 0.54 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 2j3k n VAL 233 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2j3k n GLY 234 N 2.08 0.35 7.00 2.92 0.00 -1.26 -2.47 105.19 113.81 2j3k n GLY 234 Ca 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.13 2j3k n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j3k n GLY 235 N 0.57 1.64 0.23 -0.02 0.00 -1.26 -2.99 105.19 103.35 2j3k n GLY 235 Ca 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 2j3k n GLY 235 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2j3k h LYS 236 N 0.00 0.42 0.11 1.61 3.64 -1.96 -2.13 116.57 118.26 2j3k h LYS 236 Ca 0.00 -0.16 -0.29 0.00 -1.27 0.00 0.00 60.65 58.92 2j3k h LYS 236 Cb 0.00 -0.02 0.03 0.00 -0.41 0.00 0.00 32.23 31.82 2j3k h LYS 236 CO 0.00 0.67 -1.22 1.98 -2.27 0.00 0.00 179.45 178.61 2j3k h MET 237 N 0.37 0.59 -0.94 1.90 4.05 -1.94 -3.13 114.93 115.83 2j3k h MET 237 Ca 0.05 -0.78 0.02 0.00 -0.28 0.00 0.00 59.70 58.72 2j3k h MET 237 Cb 0.69 0.26 -0.05 0.00 -0.80 0.00 0.00 31.60 31.69 2j3k h MET 237 CO 0.05 1.35 0.62 1.25 0.23 0.00 0.00 176.91 180.41 2j3k h LEU 238 N 0.26 1.06 -0.75 3.39 6.46 -1.72 -1.72 115.31 122.28 2j3k h LEU 238 Ca -0.17 -0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.63 2j3k h LEU 238 Cb 1.89 -0.25 -0.06 0.00 -0.73 0.00 0.00 40.66 41.50 2j3k h LEU 238 CO 0.23 0.74 0.43 0.44 -0.62 0.00 0.00 178.44 179.67 2j3k h ASP 239 N 1.24 0.64 0.15 1.25 3.45 -1.39 -0.05 116.42 121.70 2j3k h ASP 239 Ca 0.36 0.03 -0.19 0.00 0.43 0.00 0.00 57.03 57.67 2j3k h ASP 239 Cb -0.07 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 38.60 2j3k h ASP 239 CO -0.09 0.40 -0.71 0.00 -1.57 0.00 0.00 179.24 177.27 2j3k h ALA 240 N 1.39 0.56 -0.02 3.45 0.00 -1.45 -3.14 119.26 120.04 2j3k h ALA 240 Ca 0.34 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2j3k h ALA 240 Cb 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2j3k h ALA 240 CO -0.20 0.74 -0.22 0.28 0.00 0.00 0.00 179.25 179.85 2j3k h VAL 241 N 0.35 1.50 -0.13 0.00 2.07 -1.05 -1.47 116.25 117.53 2j3k h VAL 241 Ca -0.03 -1.79 0.04 0.00 0.82 0.00 0.00 66.70 65.74 2j3k h VAL 241 Cb 1.29 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 33.64 2j3k h VAL 241 CO 0.13 0.49 0.45 -0.07 0.02 0.00 0.00 177.57 178.59 2j3k h LEU 242 N -0.43 0.00 0.07 2.57 4.07 -1.03 0.86 115.31 121.43 2j3k h LEU 242 Ca -0.02 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.62 2j3k h LEU 242 Cb 0.92 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.63 2j3k h LEU 242 CO 0.04 0.00 -1.77 0.52 -1.08 0.00 0.00 178.44 176.15 2j3k n VAL 243 N -3.06 1.68 1.84 1.22 0.31 -1.16 -4.27 118.33 114.90 2j3k n VAL 243 Ca 0.01 -0.42 0.10 0.00 -0.01 0.00 0.00 64.34 64.02 2j3k n VAL 243 Cb 0.53 -1.84 0.54 0.00 -0.91 0.00 0.00 33.84 32.16 2j3k n VAL 243 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2j3k n ASN 244 N -3.84 0.34 -4.09 4.52 4.13 0.22 -4.93 115.26 111.63 2j3k n ASN 244 Ca -0.33 -1.45 -0.29 0.00 1.68 0.00 0.00 54.58 54.19 2j3k n ASN 244 Cb 0.91 -0.02 0.24 0.00 -1.54 0.00 0.00 39.78 39.37 2j3k n ASN 244 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 2j3k s MET 245 N -1.96 -1.12 0.26 3.52 -1.94 -0.76 -2.66 119.30 114.64 2j3k s MET 245 Ca 0.30 0.26 0.05 0.00 -1.71 0.00 0.00 55.69 54.59 2j3k s MET 245 Cb 0.14 -1.58 -0.06 0.00 2.01 0.00 0.00 34.83 35.35 2j3k s MET 245 CO 0.24 -3.71 -0.02 -0.80 -0.01 0.00 0.00 175.02 170.72 2j3k s ASN 246 N -3.41 2.23 -0.05 3.03 0.02 -0.80 -4.53 114.94 111.42 2j3k s ASN 246 Ca 0.69 -1.23 -0.29 0.00 -1.02 0.00 0.00 52.86 51.01 2j3k s ASN 246 Cb -0.15 -0.07 -0.07 0.00 0.02 0.00 0.00 41.25 40.98 2j3k s ASN 246 CO 0.58 -0.46 1.97 -0.32 0.02 0.00 0.00 177.10 178.89 2j3k s MET 247 N -3.82 3.89 -0.76 -0.60 1.75 -1.25 -2.30 119.30 116.21 2j3k s MET 247 Ca 0.30 2.37 -0.00 0.00 -1.25 0.00 0.00 55.69 57.10 2j3k s MET 247 Cb 0.05 -4.19 -0.00 0.00 2.84 0.00 0.00 34.83 33.54 2j3k s MET 247 CO 0.11 -1.24 0.70 0.72 -0.65 0.00 0.00 175.02 174.66 2j3k n HIS 248 N 8.53 -2.90 -3.59 4.11 8.25 -1.11 -5.01 115.22 123.50 2j3k n HIS 248 Ca 0.22 1.11 -0.40 0.00 -0.26 0.00 0.00 57.72 58.39 2j3k n HIS 248 Cb 0.42 -4.01 -0.11 0.00 1.12 0.00 0.00 29.99 27.41 2j3k n HIS 248 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2j3k s GLY 249 N -3.01 1.92 0.03 -1.41 0.00 -0.97 -4.95 107.32 98.93 2j3k s GLY 249 Ca 0.02 -1.46 -0.21 0.00 0.00 0.00 0.00 44.72 43.06 2j3k s GLY 249 CO 0.76 0.76 0.64 0.50 0.00 0.00 0.00 173.10 175.76 2j3k s ARG 250 N 1.65 4.35 -0.12 2.90 3.00 -0.13 -2.99 118.95 127.61 2j3k s ARG 250 Ca 0.05 0.83 0.03 0.00 0.00 0.00 0.00 55.73 56.64 2j3k s ARG 250 Cb -0.18 -3.32 -0.00 0.00 0.00 0.00 0.00 34.95 31.45 2j3k s ARG 250 CO 0.08 0.42 -0.21 0.42 0.00 0.00 0.00 175.30 176.01 2j3k s ILE 251 N -0.43 2.25 -0.42 1.52 1.01 0.14 -2.44 121.20 122.83 2j3k s ILE 251 Ca 0.32 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.92 2j3k s ILE 251 Cb -0.19 -1.89 0.06 0.00 0.01 0.00 0.00 42.46 40.45 2j3k s ILE 251 CO 0.19 0.55 0.28 0.00 0.00 0.00 0.00 174.94 175.96 2j3k s ALA 252 N 0.46 3.35 -0.57 9.38 0.00 0.37 -2.22 121.76 132.53 2j3k s ALA 252 Ca -0.15 -2.02 -0.18 0.00 0.00 0.00 0.00 51.96 49.62 2j3k s ALA 252 Cb -0.17 -2.74 0.11 0.00 0.00 0.00 0.00 23.12 20.33 2j3k s ALA 252 CO 0.06 -1.60 0.61 0.08 0.00 0.00 0.00 175.76 174.92 2j3k s VAL 253 N 1.51 4.99 -0.16 0.00 1.01 -0.72 -0.69 120.40 126.34 2j3k s VAL 253 Ca 0.03 -1.21 -0.19 0.00 0.00 0.00 0.00 61.98 60.61 2j3k s VAL 253 Cb -0.22 -4.42 -0.16 0.00 0.00 0.00 0.00 36.38 31.57 2j3k s VAL 253 CO 0.04 -1.01 0.32 0.00 0.00 0.00 0.00 175.10 174.46 2j3k n GLY 255 N 1.57 2.84 2.48 0.00 0.00 -0.27 -4.88 105.19 106.93 2j3k n GLY 255 Ca -0.16 -1.67 -0.13 0.00 0.00 0.00 0.00 46.02 44.06 2j3k n GLY 255 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2j3k n MET 256 N -0.40 0.99 0.30 1.61 2.81 -1.02 -4.07 117.12 117.33 2j3k n MET 256 Ca 0.03 -2.60 0.16 0.00 -1.81 0.00 0.00 57.70 53.48 2j3k n MET 256 Cb 0.39 -1.35 0.95 0.00 -0.71 0.00 0.00 33.22 32.50 2j3k n MET 256 CO 0.00 0.00 0.00 -0.84 1.51 0.00 0.00 175.97 176.64 2j3k h ILE 257 N 2.08 0.43 -0.18 2.02 3.07 -1.13 -1.52 117.51 122.30 2j3k h ILE 257 Ca -0.01 -0.07 0.05 0.00 1.55 0.00 0.00 64.86 66.38 2j3k h ILE 257 Cb 1.04 1.05 -0.01 0.00 -0.27 0.00 0.00 36.82 38.63 2j3k h ILE 257 CO 0.31 0.01 0.27 0.28 -1.05 0.00 0.00 178.15 177.97 2j3k h SER 258 N 0.00 0.00 0.00 2.16 0.02 -1.78 -3.33 113.55 110.63 2j3k h SER 258 Ca -0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 2j3k h SER 258 Cb 0.05 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2j3k h SER 258 CO 0.00 0.00 -1.47 0.00 -1.14 0.00 0.00 176.83 174.23 2j3k n GLN 259 N -3.51 1.53 -0.35 3.45 1.13 -0.57 -4.72 117.38 114.33 2j3k n GLN 259 Ca 0.02 -0.04 -0.02 0.00 -1.94 0.00 0.00 57.00 55.02 2j3k n GLN 259 Cb 0.38 -1.20 0.11 0.00 0.11 0.00 0.00 30.24 29.64 2j3k n GLN 259 CO 0.00 0.00 0.00 1.88 -1.44 0.00 0.00 177.06 177.50 2j3k h TYR 260 N 0.00 1.18 -0.08 1.08 0.99 -1.67 -3.00 116.97 115.48 2j3k h TYR 260 Ca -0.11 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.65 2j3k h TYR 260 Cb 0.95 -0.40 0.00 0.00 1.00 0.00 0.00 36.73 38.29 2j3k h TYR 260 CO 0.00 0.72 0.00 0.27 -0.00 0.00 0.00 178.16 179.15 2j3k n ASN 261 N -4.44 1.25 -4.45 3.88 2.04 -1.26 -4.80 115.26 107.47 2j3k n ASN 261 Ca 0.12 -1.53 -0.33 0.00 -0.44 0.00 0.00 54.58 52.40 2j3k n ASN 261 Cb 0.04 -0.04 -0.13 0.00 -2.53 0.00 0.00 39.78 37.12 2j3k n ASN 261 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 2j3k s LEU 262 N -1.77 2.81 -0.11 -4.53 1.02 -1.13 -3.50 118.68 111.47 2j3k s LEU 262 Ca 0.35 -0.22 -0.06 0.00 0.02 0.00 0.00 54.13 54.22 2j3k s LEU 262 Cb 0.19 -1.60 -0.05 0.00 0.02 0.00 0.00 46.19 44.74 2j3k s LEU 262 CO 0.29 0.27 0.16 1.05 0.02 0.00 0.00 176.35 178.14 2j3k h GLU 263 N 5.93 0.00 -3.95 1.70 4.11 -1.84 -3.41 114.58 117.13 2j3k h GLU 263 Ca -0.38 0.00 -0.70 0.00 0.07 0.00 0.00 59.36 58.35 2j3k h GLU 263 Cb 1.18 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.09 2j3k h GLU 263 CO 0.53 0.20 -0.40 -0.80 0.07 0.00 0.00 179.01 178.61 2j3k s ASN 264 N -5.69 5.36 0.22 3.06 -0.87 -1.26 -5.05 114.94 110.71 2j3k s ASN 264 Ca -0.04 -2.50 -0.30 0.00 -1.57 0.00 0.00 52.86 48.45 2j3k s ASN 264 Cb -0.01 -1.88 -0.08 0.00 -0.02 0.00 0.00 41.25 39.26 2j3k s ASN 264 CO 0.14 -0.46 0.99 0.00 -2.57 0.00 0.00 177.10 175.20 2j3k s GLN 265 N 0.46 4.77 0.26 -0.60 -2.07 -1.26 -5.05 119.66 116.17 2j3k s GLN 265 Ca 0.13 1.57 -0.29 0.00 -1.82 0.00 0.00 55.36 54.95 2j3k s GLN 265 Cb -0.21 -3.28 -0.14 0.00 -1.09 0.00 0.00 33.01 28.29 2j3k s GLN 265 CO -0.04 0.37 1.06 0.39 -1.32 0.00 0.00 175.29 175.75 2j3k n GLU 266 N 1.72 1.35 -3.76 9.60 1.02 -1.26 -5.00 120.64 124.30 2j3k n GLU 266 Ca -0.01 0.47 -0.36 0.00 -0.02 0.00 0.00 57.16 57.25 2j3k n GLU 266 Cb 0.47 -1.88 -0.07 0.00 -0.02 0.00 0.00 31.44 29.93 2j3k n GLU 266 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2j3k s GLY 267 N -0.41 2.08 -0.24 0.62 0.00 -1.26 -4.89 107.32 103.23 2j3k s GLY 267 Ca 0.62 -0.67 -0.13 0.00 0.00 0.00 0.00 44.72 44.55 2j3k s GLY 267 CO 0.58 0.01 0.26 0.14 0.00 0.00 0.00 173.10 174.09 2j3k s VAL 268 N -0.03 5.28 -0.17 1.40 1.01 -1.26 -4.88 120.40 121.74 2j3k s VAL 268 Ca 0.10 0.38 0.13 0.00 0.00 0.00 0.00 61.98 62.60 2j3k s VAL 268 Cb -0.11 -3.60 -0.24 0.00 0.00 0.00 0.00 36.38 32.43 2j3k s VAL 268 CO -0.00 0.28 0.16 1.41 0.00 0.00 0.00 175.10 176.94 2j3k n HIS 269 N 4.62 0.26 -0.76 5.22 8.25 -1.26 -4.63 115.22 126.92 2j3k n HIS 269 Ca -0.12 0.08 -0.15 0.00 -0.26 0.00 0.00 57.72 57.27 2j3k n HIS 269 Cb 0.52 -1.04 0.18 0.00 1.12 0.00 0.00 29.99 30.76 2j3k n HIS 269 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2j3k n ASN 270 N -2.92 3.82 0.00 0.41 5.03 -1.26 -4.62 115.26 115.72 2j3k n ASN 270 Ca -0.32 -3.21 0.10 0.00 0.87 0.00 0.00 54.58 52.03 2j3k n ASN 270 Cb 1.11 -0.75 0.53 0.00 -1.02 0.00 0.00 39.78 39.64 2j3k n ASN 270 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2j3k n LEU 271 N -0.61 0.00 0.24 3.41 4.77 -1.26 -2.67 117.00 120.89 2j3k n LEU 271 Ca 0.44 0.28 0.13 0.00 -0.03 0.00 0.00 56.01 56.83 2j3k n LEU 271 Cb 1.38 -0.28 0.54 0.00 -2.33 0.00 0.00 43.42 42.73 2j3k n LEU 271 CO 0.45 -0.09 0.88 -1.28 -1.33 0.00 0.00 177.39 176.02 2j3k h SER 272 N 0.00 0.00 -0.08 -1.43 0.87 -1.98 -3.17 113.55 107.76 2j3k h SER 272 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2j3k h SER 272 Cb 0.19 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 2j3k h SER 272 CO 0.00 0.13 0.03 0.59 -0.53 0.00 0.00 176.83 177.05 2j3k n ASN 273 N -3.27 2.30 -0.09 6.23 4.13 -1.09 -2.85 115.26 120.61 2j3k n ASN 273 Ca 0.00 -2.13 -0.11 0.00 1.68 0.00 0.00 54.58 54.03 2j3k n ASN 273 Cb 0.38 -0.53 -0.11 0.00 -1.54 0.00 0.00 39.78 37.99 2j3k n ASN 273 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2j3k n ILE 274 N 0.20 1.12 0.12 2.41 -0.00 -1.20 -3.93 119.36 118.08 2j3k n ILE 274 Ca 0.04 -0.57 -0.09 0.00 -0.00 0.00 0.00 62.75 62.14 2j3k n ILE 274 Cb 0.48 -0.87 -0.05 0.00 -0.00 0.00 0.00 39.64 39.20 2j3k n ILE 274 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 2j3k h ILE 275 N 0.00 0.34 0.38 1.39 2.04 -1.78 -2.15 117.51 117.73 2j3k h ILE 275 Ca -0.44 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 64.57 2j3k h ILE 275 Cb 1.85 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 2j3k h ILE 275 CO -0.02 0.09 -0.35 1.88 0.00 0.00 0.00 178.15 179.75 2j3k h TYR 276 N -1.02 -0.95 -0.16 1.37 0.99 -1.83 -3.15 116.97 112.22 2j3k h TYR 276 Ca -0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 2j3k h TYR 276 Cb 0.43 0.37 0.00 0.00 1.00 0.00 0.00 36.73 38.53 2j3k h TYR 276 CO 0.03 -0.47 0.00 1.63 -0.00 0.00 0.00 178.16 179.35 2j3k n LYS 277 N -4.49 1.45 -4.35 4.88 4.76 -1.25 -4.93 118.16 114.23 2j3k n LYS 277 Ca -0.09 -0.60 -0.33 0.00 -2.87 0.00 0.00 58.31 54.42 2j3k n LYS 277 Cb 0.32 -1.22 -0.09 0.00 -1.84 0.00 0.00 35.03 32.20 2j3k n LYS 277 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2j3k n ARG 278 N 0.00 -1.00 -3.09 1.97 1.74 -1.04 -2.75 116.66 112.49 2j3k n ARG 278 Ca 0.06 0.11 -0.39 0.00 -0.77 0.00 0.00 57.85 56.86 2j3k n ARG 278 Cb 0.19 -3.84 -0.06 0.00 -1.02 0.00 0.00 32.46 27.73 2j3k n ARG 278 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2j3k s ASN 279 N -4.17 7.27 -0.22 0.55 0.01 -0.84 -3.95 114.94 113.59 2j3k s ASN 279 Ca 0.16 1.50 -0.05 0.00 -0.71 0.00 0.00 52.86 53.76 2j3k s ASN 279 Cb -0.09 -2.45 -0.02 0.00 0.41 0.00 0.00 41.25 39.10 2j3k s ASN 279 CO 1.00 0.23 -0.01 -0.60 -1.51 0.00 0.00 177.10 176.21 2j3k s ARG 280 N -1.08 3.49 -0.27 -0.60 3.52 -1.16 -4.90 118.95 117.95 2j3k s ARG 280 Ca 0.33 -0.57 0.02 0.00 -0.13 0.00 0.00 55.73 55.38 2j3k s ARG 280 Cb -0.22 -3.09 0.06 0.00 -1.56 0.00 0.00 34.95 30.14 2j3k s ARG 280 CO 0.23 -0.14 -0.08 0.42 -0.81 0.00 0.00 175.30 174.92 2j3k s ILE 281 N 1.39 2.39 -0.13 4.11 1.01 -1.26 0.24 121.20 128.95 2j3k s ILE 281 Ca 0.05 -1.54 0.01 0.00 0.00 0.00 0.00 60.65 59.16 2j3k s ILE 281 Cb -0.15 -2.38 0.02 0.00 0.01 0.00 0.00 42.46 39.96 2j3k s ILE 281 CO -0.00 -0.03 -0.13 -1.58 0.00 0.00 0.00 174.94 173.20 2j3k s GLN 282 N 1.15 2.12 -0.04 2.79 2.00 -0.94 -5.02 119.66 121.73 2j3k s GLN 282 Ca -0.07 -0.50 -0.14 0.00 -2.00 0.00 0.00 55.36 52.65 2j3k s GLN 282 Cb -0.20 -1.93 -0.05 0.00 0.80 0.00 0.00 33.01 31.63 2j3k s GLN 282 CO -0.04 -0.18 0.36 0.20 -0.50 0.00 0.00 175.29 175.12 2j3k s GLY 283 N 1.35 2.40 0.20 2.59 0.00 -1.26 -1.76 107.32 110.84 2j3k s GLY 283 Ca 0.01 -0.30 0.01 0.00 0.00 0.00 0.00 44.72 44.44 2j3k s GLY 283 CO -0.07 0.11 0.04 -0.11 0.00 0.00 0.00 173.10 173.07 2j3k s PHE 284 N -0.87 1.29 -0.08 1.90 -0.12 -1.07 -4.96 117.98 114.07 2j3k s PHE 284 Ca 0.22 -1.09 0.03 0.00 -0.05 0.00 0.00 56.93 56.03 2j3k s PHE 284 Cb -0.16 -0.74 0.01 0.00 -0.63 0.00 0.00 43.02 41.50 2j3k s PHE 284 CO 0.11 -0.28 -0.17 0.08 -0.05 0.00 0.00 175.22 174.91 2j3k s VAL 285 N -3.73 1.52 0.30 -2.49 1.01 -1.26 -4.74 120.40 111.00 2j3k s VAL 285 Ca 0.29 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.59 2j3k s VAL 285 Cb 0.07 -1.35 0.29 0.00 0.00 0.00 0.00 36.38 35.38 2j3k s VAL 285 CO 0.07 0.44 1.88 1.62 0.00 0.00 0.00 175.10 179.11 2j3k h VAL 286 N 5.88 0.99 -0.92 2.92 3.04 -1.96 -3.20 116.25 122.99 2j3k h VAL 286 Ca -0.27 -0.34 0.27 0.00 -1.01 0.00 0.00 66.70 65.35 2j3k h VAL 286 Cb 1.20 -0.08 -0.04 0.00 -2.01 0.00 0.00 31.29 30.36 2j3k h VAL 286 CO 0.48 0.18 0.83 0.28 -1.01 0.00 0.00 177.57 178.33 2j3k h SER 287 N 0.99 0.00 1.47 3.17 0.02 -1.97 0.49 113.55 117.73 2j3k h SER 287 Ca 0.44 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.34 2j3k h SER 287 Cb 0.35 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 2j3k h SER 287 CO -0.19 0.00 -0.20 0.44 -1.14 0.00 0.00 176.83 175.74 2j3k h ASP 288 N 0.00 0.00 -0.20 3.07 3.32 -1.97 -3.29 116.42 117.35 2j3k h ASP 288 Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 2j3k h ASP 288 Cb 2.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.65 2j3k h ASP 288 CO -0.00 0.20 0.00 0.49 -1.72 0.00 0.00 179.24 178.21 2j3k n PHE 289 N -3.20 0.25 0.05 4.55 3.01 0.16 -4.68 117.46 117.59 2j3k n PHE 289 Ca 0.02 -0.19 0.01 0.00 1.01 0.00 0.00 57.45 58.30 2j3k n PHE 289 Cb 0.54 -0.01 0.03 0.00 -0.01 0.00 0.00 39.48 40.03 2j3k n PHE 289 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2j3k n TYR 290 N 0.89 0.00 0.20 1.38 4.01 -1.23 -0.68 117.16 121.74 2j3k n TYR 290 Ca 0.12 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.95 2j3k n TYR 290 Cb 0.43 -0.50 0.26 0.00 -0.31 0.00 0.00 39.34 39.22 2j3k n TYR 290 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 2j3k h ASP 291 N 0.00 0.00 -0.59 7.72 -0.00 -1.88 -3.02 116.42 118.65 2j3k h ASP 291 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 2j3k h ASP 291 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.35 2j3k h ASP 291 CO 0.00 0.20 0.00 0.29 -0.00 0.00 0.00 179.24 179.73 2j3k n LYS 292 N -3.21 3.05 -0.06 4.15 5.02 0.14 -4.61 118.16 122.64 2j3k n LYS 292 Ca 0.02 -2.40 -0.11 0.00 -2.02 0.00 0.00 58.31 53.79 2j3k n LYS 292 Cb 0.54 -1.70 -0.05 0.00 -0.02 0.00 0.00 35.03 33.80 2j3k n LYS 292 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 2j3k h TYR 293 N 3.61 0.36 -0.09 2.13 5.03 -1.65 -1.54 116.97 124.81 2j3k h TYR 293 Ca 0.00 -0.05 -0.06 0.00 2.58 0.00 0.00 58.73 61.20 2j3k h TYR 293 Cb 1.13 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 39.31 2j3k h TYR 293 CO 0.58 0.49 -0.21 0.77 -1.32 0.00 0.00 178.16 178.48 2j3k h SER 294 N 0.12 0.14 -0.52 -2.11 0.02 -1.84 0.40 113.55 109.76 2j3k h SER 294 Ca 0.06 -0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 60.85 2j3k h SER 294 Cb 0.33 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 2j3k h SER 294 CO 0.01 0.36 -0.16 0.50 -1.14 0.00 0.00 176.83 176.40 2j3k h LYS 295 N 0.13 1.03 0.27 3.45 3.64 -1.87 -1.72 116.57 121.51 2j3k h LYS 295 Ca 0.02 -0.41 -0.01 0.00 -1.27 0.00 0.00 60.65 58.98 2j3k h LYS 295 Cb 0.45 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2j3k h LYS 295 CO 0.03 1.10 -0.13 0.35 -2.27 0.00 0.00 179.45 178.53 2j3k h PHE 296 N 0.90 -0.33 -0.64 1.91 3.57 -0.85 -2.91 116.94 118.58 2j3k h PHE 296 Ca 0.13 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.74 2j3k h PHE 296 Cb 0.74 0.11 -0.09 0.00 2.79 0.00 0.00 35.95 39.50 2j3k h PHE 296 CO 0.05 0.03 0.16 -0.07 -2.23 0.00 0.00 178.31 176.25 2j3k h LEU 297 N -0.81 0.05 0.00 0.59 3.38 -0.94 -0.03 115.31 117.55 2j3k h LEU 297 Ca -0.04 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2j3k h LEU 297 Cb 0.51 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2j3k h LEU 297 CO 0.06 0.02 0.00 -0.62 0.09 0.00 0.00 178.44 177.99 2j3k n GLU 298 N -5.11 0.43 -0.08 1.13 1.02 -0.65 -0.92 120.64 116.45 2j3k n GLU 298 Ca 0.10 0.02 -0.12 0.00 -0.02 0.00 0.00 57.16 57.14 2j3k n GLU 298 Cb 0.35 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.22 2j3k n GLU 298 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2j3k h PHE 299 N 0.00 0.00 0.02 -0.32 3.57 -1.16 -3.43 116.94 115.63 2j3k h PHE 299 Ca 0.00 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.29 2j3k h PHE 299 Cb 0.26 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 2j3k h PHE 299 CO 0.00 0.64 -0.98 -0.39 -2.23 0.00 0.00 178.31 175.35 2j3k h VAL 300 N -1.00 1.60 -0.36 1.41 -1.51 -0.95 -3.37 116.25 112.08 2j3k h VAL 300 Ca -0.14 -3.05 -0.08 0.00 -1.23 0.00 0.00 66.70 62.20 2j3k h VAL 300 Cb 0.82 2.71 -0.02 0.00 -2.13 0.00 0.00 31.29 32.67 2j3k h VAL 300 CO -0.09 0.88 -0.09 -0.07 -1.23 0.00 0.00 177.57 176.97 2j3k h LEU 301 N 0.04 0.59 -1.48 4.19 -0.00 -1.28 -0.83 115.31 116.54 2j3k h LEU 301 Ca -0.04 -0.15 0.28 0.00 -0.00 0.00 0.00 57.88 57.97 2j3k h LEU 301 Cb 1.68 -0.16 -0.09 0.00 -0.00 0.00 0.00 40.66 42.09 2j3k h LEU 301 CO 0.14 0.73 0.70 1.55 -0.00 0.00 0.00 178.44 181.56 2j3k h PRO 302 N 0.56 0.30 0.00 1.13 0.13 -1.82 -2.49 132.00 129.82 2j3k h PRO 302 Ca 0.10 -0.02 -0.21 0.00 -0.87 0.00 0.00 66.00 65.00 2j3k h PRO 302 Cb 0.50 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.53 2j3k h PRO 302 CO 0.03 0.20 -1.30 0.45 -0.23 0.00 0.00 178.00 177.14 2j3k h HIS 303 N 0.31 0.00 0.03 1.56 3.86 -1.53 -3.14 115.15 116.23 2j3k h HIS 303 Ca 0.59 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.73 2j3k h HIS 303 Cb 1.67 0.00 0.01 0.00 1.06 0.00 0.00 27.41 30.15 2j3k h HIS 303 CO -0.00 0.81 -0.29 0.82 0.86 0.00 0.00 177.93 180.12 2j3k h ILE 304 N 0.00 1.61 -0.51 2.45 2.04 -0.89 -0.33 117.51 121.89 2j3k h ILE 304 Ca -0.15 -2.18 0.15 0.00 1.00 0.00 0.00 64.86 63.68 2j3k h ILE 304 Cb 1.75 3.03 -0.02 0.00 -0.74 0.00 0.00 36.82 40.84 2j3k h ILE 304 CO 0.08 0.59 0.46 0.03 0.00 0.00 0.00 178.15 179.31 2j3k h ARG 305 N -0.62 0.00 0.00 2.37 3.08 -1.60 -2.43 114.38 115.19 2j3k h ARG 305 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2j3k h ARG 305 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 2j3k h ARG 305 CO 0.06 0.00 -1.33 0.39 -1.07 0.00 0.00 179.97 178.02 2j3k n GLU 306 N -3.94 0.41 -1.36 0.04 1.02 -1.19 -5.01 120.64 110.62 2j3k n GLU 306 Ca 0.09 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2j3k n GLU 306 Cb 0.67 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 2j3k n GLU 306 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2j3k n GLY 307 N 1.33 0.52 0.08 0.62 0.00 -0.91 -4.99 105.19 101.83 2j3k n GLY 307 Ca 0.00 -0.86 -0.16 0.00 0.00 0.00 0.00 46.02 45.00 2j3k n GLY 307 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2j3k h LYS 308 N 0.00 0.00 -5.47 1.61 1.63 -1.33 -3.46 116.57 109.55 2j3k h LYS 308 Ca 0.00 0.00 -0.63 0.00 -0.85 0.00 0.00 60.65 59.17 2j3k h LYS 308 Cb 0.49 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 32.02 2j3k h LYS 308 CO 0.00 0.90 -0.45 0.42 -3.45 0.00 0.00 179.45 176.86 2j3k s ILE 309 N -2.23 5.42 0.09 2.00 1.01 -0.88 -5.02 121.20 121.58 2j3k s ILE 309 Ca -0.21 0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.71 2j3k s ILE 309 Cb 0.01 -3.47 -0.00 0.00 0.01 0.00 0.00 42.46 39.00 2j3k s ILE 309 CO 0.59 0.51 0.02 0.35 0.00 0.00 0.00 174.94 176.40 2j3k n THR 310 N 2.86 0.00 -3.64 2.92 -2.24 -1.26 -4.25 114.28 108.68 2j3k n THR 310 Ca -0.17 -0.46 -0.06 0.00 -2.27 0.00 0.00 64.05 61.09 2j3k n THR 310 Cb 0.53 0.13 -0.07 0.00 -2.10 0.00 0.00 70.33 68.83 2j3k n THR 310 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2j3k s TYR 311 N -1.62 -0.61 -0.16 4.78 6.04 -1.26 -4.93 117.35 119.59 2j3k s TYR 311 Ca 0.02 1.32 -0.04 0.00 0.04 0.00 0.00 57.07 58.41 2j3k s TYR 311 Cb 0.00 0.38 -0.03 0.00 -1.04 0.00 0.00 41.96 41.28 2j3k s TYR 311 CO 0.02 -0.30 -0.03 0.08 -1.54 0.00 0.00 175.55 173.77 2j3k s VAL 312 N 0.86 3.85 0.02 3.14 1.01 -1.26 -5.11 120.40 122.92 2j3k s VAL 312 Ca -0.04 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 61.65 2j3k s VAL 312 Cb -0.04 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 2j3k s VAL 312 CO -0.11 0.48 -0.22 -1.61 0.00 0.00 0.00 175.10 173.64 2j3k s GLU 313 N 0.52 1.61 -0.24 2.72 2.02 -1.26 -1.45 118.70 122.62 2j3k s GLU 313 Ca -0.03 -0.93 -0.08 0.00 0.02 0.00 0.00 54.97 53.96 2j3k s GLU 313 Cb -0.14 -1.68 -0.03 0.00 0.10 0.00 0.00 34.13 32.37 2j3k s GLU 313 CO 0.03 0.44 0.09 0.34 0.02 0.00 0.00 175.26 176.17 2j3k s ASP 314 N -0.97 5.34 0.26 -0.19 3.68 -0.27 -4.80 116.67 119.72 2j3k s ASP 314 Ca 0.09 -0.13 0.24 0.00 2.13 0.00 0.00 52.55 54.88 2j3k s ASP 314 Cb -0.09 -1.96 0.45 0.00 -1.45 0.00 0.00 42.92 39.88 2j3k s ASP 314 CO 0.01 0.00 1.53 -0.37 0.13 0.00 0.00 175.17 176.47 2j3k h VAL 315 N 5.40 0.00 -0.80 1.11 -1.51 -1.83 -1.68 116.25 116.94 2j3k h VAL 315 Ca -0.37 -0.72 0.00 0.00 -1.23 0.00 0.00 66.70 64.38 2j3k h VAL 315 Cb 1.18 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.90 2j3k h VAL 315 CO 0.59 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.93 2j3k n ALA 316 N -1.95 -0.41 -2.08 5.19 0.00 -1.21 -4.00 120.51 116.05 2j3k n ALA 316 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.11 2j3k n ALA 316 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 2j3k n ALA 316 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2j3k s ASP 317 N 0.00 5.32 0.00 0.00 1.01 -1.26 -2.61 116.67 119.14 2j3k s ASP 317 Ca 0.00 0.15 0.00 0.00 0.71 0.00 0.00 52.55 53.41 2j3k s ASP 317 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2j3k s ASP 317 CO 0.00 -2.38 0.00 0.61 0.21 0.00 0.00 175.17 173.61 2j3k n GLY 318 N 5.82 3.41 0.22 0.21 0.00 -0.23 -4.73 105.19 109.89 2j3k n GLY 318 Ca 0.22 -1.61 0.15 0.00 0.00 0.00 0.00 46.02 44.78 2j3k n GLY 318 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2j3k h LEU 319 N 0.00 0.00 -0.07 0.99 5.85 -1.87 -1.06 115.31 119.15 2j3k h LEU 319 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2j3k h LEU 319 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 2j3k h LEU 319 CO 0.00 0.00 -0.04 -0.33 -0.34 0.00 0.00 178.44 177.73 2j3k h GLU 320 N 0.00 0.16 -2.92 1.25 3.07 -1.94 -3.29 114.58 110.90 2j3k h GLU 320 Ca 0.00 -0.07 -0.74 0.00 -0.50 0.00 0.00 59.36 58.05 2j3k h GLU 320 Cb 0.06 -0.00 -0.33 0.00 -0.84 0.00 0.00 28.75 27.64 2j3k h GLU 320 CO 0.00 0.53 0.25 1.63 -1.40 0.00 0.00 179.01 180.02 2j3k n LYS 321 N -4.77 3.53 0.00 2.33 4.76 -0.40 -4.43 118.16 119.19 2j3k n LYS 321 Ca -0.07 -4.56 0.00 0.00 -2.87 0.00 0.00 58.31 50.81 2j3k n LYS 321 Cb 0.26 -2.44 0.00 0.00 -1.84 0.00 0.00 35.03 31.01 2j3k n LYS 321 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2j3k n ALA 322 N 1.59 0.64 -0.17 7.82 0.00 -1.24 -4.43 120.51 124.73 2j3k n ALA 322 Ca 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.67 2j3k n ALA 322 Cb 0.36 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.88 2j3k n ALA 322 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2j3k h PRO 323 N 0.00 0.35 -0.90 0.00 0.11 -1.79 -2.93 132.00 126.83 2j3k h PRO 323 Ca 0.00 -0.02 0.19 0.00 0.11 0.00 0.00 66.00 66.28 2j3k h PRO 323 Cb 0.00 -0.08 -0.11 0.00 0.11 0.00 0.00 31.00 30.92 2j3k h PRO 323 CO 0.00 0.23 0.45 0.93 -0.21 0.00 0.00 178.00 179.41 2j3k h GLU 324 N 0.36 0.53 0.14 1.05 4.39 -1.85 -2.48 114.58 116.72 2j3k h GLU 324 Ca 0.25 -0.03 -0.29 0.00 0.34 0.00 0.00 59.36 59.63 2j3k h GLU 324 Cb 0.27 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2j3k h GLU 324 CO -0.26 0.35 -1.32 0.00 -1.16 0.00 0.00 179.01 176.63 2j3k h ALA 325 N 1.65 0.11 -0.04 3.43 0.00 -1.77 -2.94 119.26 119.69 2j3k h ALA 325 Ca 0.53 -0.93 -0.25 0.00 0.00 0.00 0.00 54.91 54.26 2j3k h ALA 325 Cb 0.90 0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.78 2j3k h ALA 325 CO -0.44 0.98 -0.97 1.25 0.00 0.00 0.00 179.25 180.07 2j3k h LEU 326 N 0.08 0.91 -0.54 0.00 5.85 -1.31 -3.27 115.31 117.04 2j3k h LEU 326 Ca -0.16 -0.69 0.08 0.00 0.84 0.00 0.00 57.88 57.95 2j3k h LEU 326 Cb 2.00 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 42.69 2j3k h LEU 326 CO 0.20 1.49 0.17 0.58 -0.34 0.00 0.00 178.44 180.55 2j3k h VAL 327 N 0.43 0.78 0.00 1.05 2.07 -1.58 -2.80 116.25 116.21 2j3k h VAL 327 Ca -0.11 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2j3k h VAL 327 Cb 1.62 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2j3k h VAL 327 CO 0.19 0.06 0.20 1.23 0.02 0.00 0.00 177.57 179.27 2j3k h GLY 328 N 0.34 0.00 1.71 2.17 0.00 -1.56 -3.02 103.07 102.71 2j3k h GLY 328 Ca 0.26 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.40 2j3k h GLY 328 CO -0.29 0.00 -0.83 1.41 0.00 0.00 0.00 176.54 176.84 2j3k h LEU 329 N 0.00 0.34 -0.10 3.11 3.38 -1.59 0.10 115.31 120.55 2j3k h LEU 329 Ca 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2j3k h LEU 329 Cb 0.40 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2j3k h LEU 329 CO 0.00 1.03 0.00 0.49 0.09 0.00 0.00 178.44 180.05 2j3k n PHE 330 N -3.73 0.01 0.00 1.13 3.72 -1.14 -2.15 117.46 115.30 2j3k n PHE 330 Ca -0.04 -0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2j3k n PHE 330 Cb 0.77 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.31 2j3k n PHE 330 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2j3k n HIS 331 N -0.83 0.00 -0.83 1.38 8.25 -1.25 -5.09 115.22 116.86 2j3k n HIS 331 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 2j3k n HIS 331 Cb 0.12 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.23 2j3k n HIS 331 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2j3k n GLY 332 N 2.70 0.25 0.07 -1.41 0.00 -0.15 -5.01 105.19 101.65 2j3k n GLY 332 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2j3k n GLY 332 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2j3k n LYS 333 N -0.57 0.65 -1.62 1.61 4.76 0.17 -4.87 118.16 118.29 2j3k n LYS 333 Ca 0.00 0.03 -0.41 0.00 -2.87 0.00 0.00 58.31 55.06 2j3k n LYS 333 Cb 0.28 -1.64 -0.03 0.00 -1.84 0.00 0.00 35.03 31.80 2j3k n LYS 333 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2j3k s ASN 334 N -5.32 5.17 -0.87 4.39 4.22 -1.26 -4.91 114.94 116.36 2j3k s ASN 334 Ca -0.07 1.59 -0.14 0.00 -2.14 0.00 0.00 52.86 52.11 2j3k s ASN 334 Cb 0.09 -2.51 0.22 0.00 1.28 0.00 0.00 41.25 40.33 2j3k s ASN 334 CO 0.84 -2.23 0.84 -0.69 -2.04 0.00 0.00 177.10 173.82 2j3k s VAL 335 N 9.42 5.60 0.00 3.54 1.01 -1.26 -4.85 120.40 133.86 2j3k s VAL 335 Ca 0.98 -2.52 0.00 0.00 0.00 0.00 0.00 61.98 60.44 2j3k s VAL 335 Cb -0.27 -4.51 0.00 0.00 0.00 0.00 0.00 36.38 31.60 2j3k s VAL 335 CO 0.32 -1.09 0.00 0.61 0.00 0.00 0.00 175.10 174.94 2j3k n GLY 336 N 3.93 0.93 3.70 4.51 0.00 -1.26 -3.04 105.19 113.96 2j3k n GLY 336 Ca 0.16 -1.35 -0.38 0.00 0.00 0.00 0.00 46.02 44.45 2j3k n GLY 336 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2j3k s LYS 337 N 0.00 4.24 -0.72 1.61 2.47 -0.53 -4.30 119.74 122.51 2j3k s LYS 337 Ca 0.00 0.23 -0.21 0.00 -1.56 0.00 0.00 55.97 54.43 2j3k s LYS 337 Cb 0.00 -3.48 0.09 0.00 -1.46 0.00 0.00 37.83 32.98 2j3k s LYS 337 CO 0.00 0.08 0.97 -1.14 0.16 0.00 0.00 175.35 175.42 2j3k s GLN 338 N 0.93 3.24 0.14 4.03 2.00 -1.26 -1.12 119.66 127.62 2j3k s GLN 338 Ca 0.20 -1.17 -0.06 0.00 -2.00 0.00 0.00 55.36 52.34 2j3k s GLN 338 Cb -0.14 -4.43 -0.06 0.00 0.80 0.00 0.00 33.01 29.18 2j3k s GLN 338 CO 0.07 -1.77 0.40 0.08 -0.50 0.00 0.00 175.29 173.57 2j3k s VAL 339 N 3.48 5.13 -0.05 1.34 1.01 -0.63 0.17 120.40 130.85 2j3k s VAL 339 Ca 0.23 0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.40 2j3k s VAL 339 Cb -0.15 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 2j3k s VAL 339 CO 0.04 0.06 -0.20 -0.69 0.00 0.00 0.00 175.10 174.31 2j3k s VAL 340 N -1.64 2.53 -0.25 2.92 1.01 -0.38 -3.36 120.40 121.23 2j3k s VAL 340 Ca 0.41 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 61.34 2j3k s VAL 340 Cb -0.12 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 2j3k s VAL 340 CO 0.23 0.58 0.27 -0.69 0.00 0.00 0.00 175.10 175.50 2j3k s VAL 341 N -0.51 5.26 -0.23 2.92 1.01 -1.07 -1.82 120.40 125.97 2j3k s VAL 341 Ca 0.07 0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.47 2j3k s VAL 341 Cb -0.11 -3.61 -0.16 0.00 0.00 0.00 0.00 36.38 32.50 2j3k s VAL 341 CO 0.01 0.25 -0.18 0.52 0.00 0.00 0.00 175.10 175.70 2j3k n VAL 342 N 4.71 1.33 -3.72 2.92 0.31 0.47 -1.07 118.33 123.27 2j3k n VAL 342 Ca -0.12 -0.53 -0.13 0.00 -0.01 0.00 0.00 64.34 63.55 2j3k n VAL 342 Cb 0.51 -1.26 -0.14 0.00 -0.91 0.00 0.00 33.84 32.05 2j3k n VAL 342 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2j3k s ALA 343 N -2.46 -0.47 -0.00 3.52 0.00 -0.77 -4.83 121.76 116.74 2j3k s ALA 343 Ca -0.29 0.90 -0.19 0.00 0.00 0.00 0.00 51.96 52.37 2j3k s ALA 343 Cb 0.08 -0.66 -0.29 0.00 0.00 0.00 0.00 23.12 22.25 2j3k s ALA 343 CO 0.55 -0.27 1.00 0.00 0.00 0.00 0.00 175.76 177.05 2j3k h ARG 344 N 7.42 0.42 -0.02 0.00 2.47 -1.94 -3.42 114.38 119.32 2j3k h ARG 344 Ca -0.36 -0.60 0.00 0.00 -1.26 0.00 0.00 59.98 57.76 2j3k h ARG 344 Cb 1.14 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 29.67 2j3k h ARG 344 CO 0.34 1.25 0.00 0.39 0.56 0.00 0.00 179.97 182.51