#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ft3 s VAL 67 N 0.00 0.03 0.61 2.03 0.11 -1.26 -5.15 120.40 116.78 1ft3 s VAL 67 Ca 0.00 -0.27 -0.18 0.00 -2.93 0.00 0.00 61.98 58.60 1ft3 s VAL 67 Cb 0.00 -0.14 -0.03 0.00 -1.53 0.00 0.00 36.38 34.69 1ft3 s VAL 67 CO 0.00 -0.15 1.23 -2.84 -3.33 0.00 0.00 175.10 170.02 1ft3 s PRO 68 N -0.44 2.82 0.35 1.54 0.02 -1.26 -4.93 135.00 133.10 1ft3 s PRO 68 Ca -0.05 1.90 0.07 0.00 0.02 0.00 0.00 61.00 62.94 1ft3 s PRO 68 Cb -0.03 -1.90 0.76 0.00 0.02 0.00 0.00 34.50 33.35 1ft3 s PRO 68 CO -0.00 -1.35 1.90 -0.97 -0.33 0.00 0.00 177.00 176.26 1ft3 h ASN 69 N 0.74 0.68 -4.12 2.53 -1.24 -1.98 -3.40 115.58 108.79 1ft3 h ASN 69 Ca -0.51 0.02 -0.69 0.00 0.71 0.00 0.00 56.30 55.84 1ft3 h ASN 69 Cb 1.31 -0.12 -0.31 0.00 0.73 0.00 0.00 38.32 39.94 1ft3 h ASN 69 CO 0.54 0.39 -0.88 -0.69 -1.29 0.00 0.00 177.43 175.50 1ft3 s VAL 70 N -5.70 2.11 -0.20 2.57 1.01 -1.26 0.00 120.40 118.93 1ft3 s VAL 70 Ca -0.10 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 60.78 1ft3 s VAL 70 Cb 0.21 -1.76 0.07 0.00 0.00 0.00 0.00 36.38 34.90 1ft3 s VAL 70 CO 0.78 0.57 0.08 -0.69 0.00 0.00 0.00 175.10 175.85 1ft3 s VAL 71 N -0.26 0.06 -0.03 2.92 1.01 -0.25 -4.97 120.40 118.88 1ft3 s VAL 71 Ca -0.01 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 1ft3 s VAL 71 Cb -0.13 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 1ft3 s VAL 71 CO 0.03 -0.34 1.47 -0.69 0.00 0.00 0.00 175.10 175.56 1ft3 s VAL 72 N 2.06 3.69 -0.12 2.92 1.01 -1.26 -1.25 120.40 127.45 1ft3 s VAL 72 Ca 0.03 1.00 0.20 0.00 0.00 0.00 0.00 61.98 63.20 1ft3 s VAL 72 Cb -0.16 -3.64 -0.27 0.00 0.00 0.00 0.00 36.38 32.30 1ft3 s VAL 72 CO -0.13 -0.03 0.33 0.35 0.00 0.00 0.00 175.10 175.61 1ft3 n THR 73 N 4.95 0.80 -3.59 3.92 -2.24 0.13 -4.33 114.28 113.92 1ft3 n THR 73 Ca 0.14 -0.69 0.02 0.00 -2.27 0.00 0.00 64.05 61.25 1ft3 n THR 73 Cb 0.43 -0.30 -0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1ft3 n THR 73 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ft3 s GLY 74 N -5.01 -0.43 -0.03 3.38 0.00 -1.02 -1.92 107.32 102.28 1ft3 s GLY 74 Ca -0.08 1.02 0.02 0.00 0.00 0.00 0.00 44.72 45.67 1ft3 s GLY 74 CO 0.86 0.23 -0.08 -2.27 0.00 0.00 0.00 173.10 171.84 1ft3 s LEU 75 N -2.84 1.68 -0.01 0.66 0.20 -0.82 -0.38 118.68 117.18 1ft3 s LEU 75 Ca 0.14 -0.17 0.01 0.00 0.69 0.00 0.00 54.13 54.80 1ft3 s LEU 75 Cb 0.05 -0.51 0.01 0.00 -0.43 0.00 0.00 46.19 45.31 1ft3 s LEU 75 CO -0.05 0.03 -0.01 -0.89 -0.29 0.00 0.00 176.35 175.14 1ft3 s THR 76 N 0.38 0.16 -0.45 3.68 2.01 -0.19 0.30 115.64 121.53 1ft3 s THR 76 Ca -0.06 -0.04 -0.18 0.00 0.31 0.00 0.00 61.69 61.72 1ft3 s THR 76 Cb -0.10 -0.18 0.03 0.00 0.01 0.00 0.00 72.50 72.27 1ft3 s THR 76 CO 0.01 0.07 0.52 -0.76 -0.69 0.00 0.00 174.62 173.77 1ft3 s LEU 77 N 0.23 4.86 -0.47 4.42 1.43 -0.42 -0.00 118.68 128.73 1ft3 s LEU 77 Ca -0.02 -0.70 -0.28 0.00 -1.03 0.00 0.00 54.13 52.10 1ft3 s LEU 77 Cb -0.04 -2.46 0.03 0.00 0.03 0.00 0.00 46.19 43.75 1ft3 s LEU 77 CO -0.01 -0.70 1.07 -0.69 0.23 0.00 0.00 176.35 176.26 1ft3 s VAL 78 N 2.36 4.30 -0.25 -1.59 1.01 0.48 -4.68 120.40 122.02 1ft3 s VAL 78 Ca 0.14 1.07 -0.03 0.00 0.00 0.00 0.00 61.98 63.17 1ft3 s VAL 78 Cb -0.17 -4.55 0.11 0.00 0.00 0.00 0.00 36.38 31.77 1ft3 s VAL 78 CO 0.14 -0.95 0.21 0.00 0.00 0.00 0.00 175.10 174.50 1ft3 h SER 80 N 8.33 0.76 1.33 0.00 4.64 -1.93 -2.39 113.55 124.29 1ft3 h SER 80 Ca -0.16 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1ft3 h SER 80 Cb 1.09 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1ft3 h SER 80 CO 0.34 0.54 0.00 0.77 -0.87 0.00 0.00 176.83 177.61 1ft3 h SER 81 N 0.89 0.00 -3.72 4.97 4.64 -1.96 -3.45 113.55 114.91 1ft3 h SER 81 Ca 0.26 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.05 1ft3 h SER 81 Cb -0.03 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.14 1ft3 h SER 81 CO -0.07 0.00 0.75 0.00 -0.87 0.00 0.00 176.83 176.65 1ft3 s ALA 82 N -3.17 3.59 -1.03 5.18 0.00 -0.90 -4.92 121.76 120.51 1ft3 s ALA 82 Ca 0.09 1.44 0.28 0.00 0.00 0.00 0.00 51.96 53.76 1ft3 s ALA 82 Cb 0.11 -3.57 0.99 0.00 0.00 0.00 0.00 23.12 20.66 1ft3 s ALA 82 CO 0.55 -0.86 1.75 -0.35 0.00 0.00 0.00 175.76 176.85 1ft3 n PRO 83 N 1.18 0.03 -4.03 0.00 -0.04 -1.26 -4.93 135.00 125.95 1ft3 n PRO 83 Ca 0.03 -0.01 -0.09 0.00 -0.04 0.00 0.00 63.50 63.39 1ft3 n PRO 83 Cb 0.40 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.28 1ft3 n PRO 83 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1ft3 s GLY 84 N -2.97 0.64 0.79 0.55 0.00 -1.26 -5.15 107.32 99.92 1ft3 s GLY 84 Ca 0.14 -1.10 -0.14 0.00 0.00 0.00 0.00 44.72 43.62 1ft3 s GLY 84 CO 0.59 -1.05 0.97 -1.55 0.00 0.00 0.00 173.10 172.06 1ft3 n PRO 85 N -0.15 0.23 -3.06 2.90 -0.04 -1.26 -5.00 135.00 128.63 1ft3 n PRO 85 Ca -0.07 0.14 -0.19 0.00 -0.04 0.00 0.00 63.50 63.34 1ft3 n PRO 85 Cb 0.63 -2.25 -0.03 0.00 -0.04 0.00 0.00 33.50 31.81 1ft3 n PRO 85 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ft3 n LEU 86 N -2.29 -0.92 -4.38 1.53 4.77 -1.26 -5.08 117.00 109.37 1ft3 n LEU 86 Ca 0.12 -4.20 -0.21 0.00 -0.03 0.00 0.00 56.01 51.69 1ft3 n LEU 86 Cb 0.50 0.70 -0.10 0.00 -2.33 0.00 0.00 43.42 42.19 1ft3 n LEU 86 CO 0.49 2.03 -0.47 -1.61 -1.33 0.00 0.00 177.39 176.50 1ft3 s GLU 87 N -0.47 1.43 -0.11 3.23 2.02 -1.26 -1.30 118.70 122.24 1ft3 s GLU 87 Ca 0.34 -1.59 -0.01 0.00 0.02 0.00 0.00 54.97 53.73 1ft3 s GLU 87 Cb 0.18 -1.40 0.03 0.00 0.10 0.00 0.00 34.13 33.04 1ft3 s GLU 87 CO -0.16 0.26 -0.02 -0.51 0.02 0.00 0.00 175.26 174.86 1ft3 s LEU 88 N -3.17 0.89 -0.63 1.80 1.43 0.15 -4.98 118.68 114.17 1ft3 s LEU 88 Ca 0.23 -0.29 -0.26 0.00 -1.03 0.00 0.00 54.13 52.78 1ft3 s LEU 88 Cb -0.04 -0.59 0.04 0.00 0.03 0.00 0.00 46.19 45.63 1ft3 s LEU 88 CO 0.09 -0.19 1.11 -0.62 0.23 0.00 0.00 176.35 176.98 1ft3 s ASP 89 N 1.87 6.29 0.00 2.29 -1.08 -1.26 -1.94 116.67 122.83 1ft3 s ASP 89 Ca 0.04 -0.37 0.30 0.00 -0.52 0.00 0.00 52.55 52.00 1ft3 s ASP 89 Cb -0.13 -2.50 1.53 0.00 -1.46 0.00 0.00 42.92 40.35 1ft3 s ASP 89 CO -0.07 -1.52 2.05 0.18 0.52 0.00 0.00 175.17 176.34 1ft3 n LEU 90 N 8.34 0.03 0.03 -1.34 4.77 -0.81 -2.91 117.00 125.12 1ft3 n LEU 90 Ca 0.03 0.25 0.12 0.00 -0.03 0.00 0.00 56.01 56.38 1ft3 n LEU 90 Cb 0.48 -0.26 0.29 0.00 -2.33 0.00 0.00 43.42 41.59 1ft3 n LEU 90 CO 0.68 0.01 0.52 0.35 -1.33 0.00 0.00 177.39 177.61 1ft3 n THR 91 N -1.25 0.16 -0.51 -5.08 -2.24 -1.24 -4.85 114.28 99.26 1ft3 n THR 91 Ca 0.15 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1ft3 n THR 91 Cb 0.24 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1ft3 n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ft3 n GLY 92 N 1.43 1.20 3.55 3.38 0.00 -1.14 -5.01 105.19 108.60 1ft3 n GLY 92 Ca 0.05 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 1ft3 n GLY 92 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ft3 s ASP 93 N -1.00 6.40 0.16 1.61 2.15 -1.26 -4.94 116.67 119.79 1ft3 s ASP 93 Ca 0.00 -0.02 0.14 0.00 0.43 0.00 0.00 52.55 53.10 1ft3 s ASP 93 Cb 0.00 -2.33 0.69 0.00 -0.30 0.00 0.00 42.92 40.98 1ft3 s ASP 93 CO 0.00 -0.69 1.43 0.18 -0.17 0.00 0.00 175.17 175.92 1ft3 n LEU 94 N 6.21 0.32 0.15 -1.34 4.32 -1.26 -2.79 117.00 122.61 1ft3 n LEU 94 Ca -0.01 0.63 0.00 0.00 -0.02 0.00 0.00 56.01 56.61 1ft3 n LEU 94 Cb 0.48 -0.64 0.28 0.00 -1.62 0.00 0.00 43.42 41.92 1ft3 n LEU 94 CO 0.52 -0.64 0.65 -0.33 -1.22 0.00 0.00 177.39 176.37 1ft3 h GLU 95 N 0.00 0.08 -0.97 3.23 4.39 -1.96 -3.14 114.58 116.21 1ft3 h GLU 95 Ca 0.00 -0.04 0.17 0.00 0.34 0.00 0.00 59.36 59.83 1ft3 h GLU 95 Cb 0.10 -0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.65 1ft3 h GLU 95 CO 0.00 0.50 0.57 0.77 -1.16 0.00 0.00 179.01 179.69 1ft3 h SER 96 N 0.06 0.74 -0.26 1.42 0.02 -1.94 -3.01 113.55 110.59 1ft3 h SER 96 Ca 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1ft3 h SER 96 Cb 0.79 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 1ft3 h SER 96 CO 0.06 0.30 0.17 -0.26 -1.14 0.00 0.00 176.83 175.95 1ft3 h PHE 97 N 0.77 0.33 0.00 3.45 0.04 -1.79 -1.76 116.94 117.98 1ft3 h PHE 97 Ca 0.54 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.31 1ft3 h PHE 97 Cb 0.78 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.82 1ft3 h PHE 97 CO -0.03 0.22 0.14 0.87 -0.60 0.00 0.00 178.31 178.91 1ft3 h LYS 98 N 0.34 0.00 0.04 1.51 1.57 -1.67 -1.37 116.57 117.00 1ft3 h LYS 98 Ca 0.09 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1ft3 h LYS 98 Cb -0.03 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.29 1ft3 h LYS 98 CO -0.02 0.00 -0.25 -0.22 -0.57 0.00 0.00 179.45 178.39 1ft3 h LYS 99 N 0.00 0.09 -6.32 3.15 1.63 -1.41 -3.47 116.57 110.24 1ft3 h LYS 99 Ca 0.00 -0.16 -0.65 0.00 -0.85 0.00 0.00 60.65 58.99 1ft3 h LYS 99 Cb 0.28 0.06 -0.12 0.00 -0.60 0.00 0.00 32.23 31.85 1ft3 h LYS 99 CO 0.00 1.07 -0.66 1.14 -3.45 0.00 0.00 179.45 177.54 1ft3 s GLN 100 N -2.33 2.57 0.37 1.90 1.03 -0.51 -5.12 119.66 117.57 1ft3 s GLN 100 Ca -0.17 -0.81 0.08 0.00 0.04 0.00 0.00 55.36 54.51 1ft3 s GLN 100 Cb -0.02 -2.55 -0.07 0.00 0.03 0.00 0.00 33.01 30.40 1ft3 s GLN 100 CO 0.73 0.55 -0.02 -1.54 -2.54 0.00 0.00 175.29 172.48 1ft3 s SER 101 N -2.17 3.93 -0.18 12.60 1.04 -1.26 -4.25 113.70 123.41 1ft3 s SER 101 Ca 0.24 -1.19 -0.10 0.00 0.48 0.00 0.00 55.95 55.38 1ft3 s SER 101 Cb -0.12 -0.41 -0.05 0.00 0.10 0.00 0.00 66.02 65.54 1ft3 s SER 101 CO 0.17 -0.31 0.14 -0.36 0.98 0.00 0.00 173.24 173.86 1ft3 s PHE 102 N -2.62 3.45 -0.27 5.02 0.08 0.32 -4.94 117.98 119.02 1ft3 s PHE 102 Ca 0.34 0.38 -0.10 0.00 0.12 0.00 0.00 56.93 57.68 1ft3 s PHE 102 Cb 0.04 -2.13 -0.04 0.00 -0.57 0.00 0.00 43.02 40.32 1ft3 s PHE 102 CO 0.18 0.36 0.15 0.08 -0.10 0.00 0.00 175.22 175.90 1ft3 s VAL 103 N 0.13 4.97 -0.17 -0.44 1.01 -1.26 0.17 120.40 124.81 1ft3 s VAL 103 Ca 0.10 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.13 1ft3 s VAL 103 Cb -0.11 -3.36 0.02 0.00 0.00 0.00 0.00 36.38 32.92 1ft3 s VAL 103 CO -0.01 0.27 -0.19 -0.22 0.00 0.00 0.00 175.10 174.95 1ft3 s LEU 104 N 1.71 2.06 0.11 3.92 2.96 -0.56 -4.99 118.68 123.90 1ft3 s LEU 104 Ca 0.07 -0.62 -0.31 0.00 -0.22 0.00 0.00 54.13 53.05 1ft3 s LEU 104 Cb -0.16 -1.43 -0.09 0.00 0.50 0.00 0.00 46.19 45.01 1ft3 s LEU 104 CO 0.09 -0.00 1.64 -0.75 -1.32 0.00 0.00 176.35 176.01 1ft3 s LYS 105 N 1.28 4.20 0.45 1.98 2.20 -1.26 -2.65 119.74 125.94 1ft3 s LYS 105 Ca 0.04 2.37 -0.22 0.00 -0.36 0.00 0.00 55.97 57.80 1ft3 s LYS 105 Cb -0.13 -3.45 -0.12 0.00 -1.51 0.00 0.00 37.83 32.63 1ft3 s LYS 105 CO -0.12 -0.70 0.59 -0.85 -0.36 0.00 0.00 175.35 173.91 1ft3 n GLU 106 N 5.06 0.64 0.00 4.03 0.28 0.59 -2.32 120.64 128.92 1ft3 n GLU 106 Ca 0.15 0.24 0.00 0.00 -0.16 0.00 0.00 57.16 57.39 1ft3 n GLU 106 Cb 0.40 -1.60 0.00 0.00 1.43 0.00 0.00 31.44 31.67 1ft3 n GLU 106 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ft3 n GLY 107 N 1.72 2.32 3.62 -1.84 0.00 -0.26 -4.97 105.19 105.79 1ft3 n GLY 107 Ca 0.11 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1ft3 n GLY 107 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ft3 n VAL 108 N 0.00 3.69 -3.32 1.61 0.24 -0.98 -4.25 118.33 115.33 1ft3 n VAL 108 Ca 0.00 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.34 61.48 1ft3 n VAL 108 Cb 0.00 -1.18 -0.06 0.00 -1.47 0.00 0.00 33.84 31.14 1ft3 n VAL 108 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1ft3 s GLU 109 N -2.75 3.87 0.15 7.34 2.02 -1.26 -0.75 118.70 127.31 1ft3 s GLU 109 Ca 0.75 0.40 -0.25 0.00 0.02 0.00 0.00 54.97 55.90 1ft3 s GLU 109 Cb -0.42 -2.57 0.06 0.00 0.10 0.00 0.00 34.13 31.30 1ft3 s GLU 109 CO 0.47 0.26 0.85 1.52 0.02 0.00 0.00 175.26 178.38 1ft3 s TYR 110 N -1.88 -0.24 0.08 1.61 1.13 -0.15 -4.55 117.35 113.34 1ft3 s TYR 110 Ca 0.50 -0.05 0.02 0.00 -1.41 0.00 0.00 57.07 56.12 1ft3 s TYR 110 Cb -0.11 0.62 -0.04 0.00 -1.10 0.00 0.00 41.96 41.34 1ft3 s TYR 110 CO 0.20 -0.85 -0.06 1.03 -2.51 0.00 0.00 175.55 173.35 1ft3 s ARG 111 N -3.43 0.72 -0.18 -3.49 0.52 -0.67 -0.15 118.95 112.27 1ft3 s ARG 111 Ca 0.09 -1.15 -0.04 0.00 -0.52 0.00 0.00 55.73 54.11 1ft3 s ARG 111 Cb -0.02 -0.18 -0.03 0.00 0.52 0.00 0.00 34.95 35.25 1ft3 s ARG 111 CO -0.01 -0.01 -0.02 0.42 0.02 0.00 0.00 175.30 175.70 1ft3 s ILE 112 N -3.00 3.92 -0.29 1.52 1.01 -1.26 -0.39 121.20 122.70 1ft3 s ILE 112 Ca 0.05 -0.34 -0.05 0.00 0.00 0.00 0.00 60.65 60.31 1ft3 s ILE 112 Cb 0.01 -2.74 0.02 0.00 0.01 0.00 0.00 42.46 39.76 1ft3 s ILE 112 CO -0.04 0.46 0.04 -0.75 0.00 0.00 0.00 174.94 174.65 1ft3 s LYS 113 N 0.68 2.86 -0.27 2.79 2.20 0.99 -1.75 119.74 127.24 1ft3 s LYS 113 Ca -0.01 -1.00 -0.11 0.00 -0.36 0.00 0.00 55.97 54.50 1ft3 s LYS 113 Cb -0.14 -3.26 -0.05 0.00 -1.51 0.00 0.00 37.83 32.87 1ft3 s LYS 113 CO 0.02 -0.49 0.18 0.42 -0.36 0.00 0.00 175.35 175.12 1ft3 s ILE 114 N 1.41 5.25 -0.15 5.43 -1.09 0.27 -1.02 121.20 131.29 1ft3 s ILE 114 Ca 0.00 0.15 -0.08 0.00 -2.23 0.00 0.00 60.65 58.49 1ft3 s ILE 114 Cb -0.18 -3.49 -0.04 0.00 -1.58 0.00 0.00 42.46 37.17 1ft3 s ILE 114 CO 0.00 0.27 0.12 -0.44 -1.23 0.00 0.00 174.94 173.67 1ft3 s SER 115 N 1.64 6.22 0.18 3.58 0.01 0.49 -0.55 113.70 125.27 1ft3 s SER 115 Ca 0.07 0.34 -0.14 0.00 1.31 0.00 0.00 55.95 57.53 1ft3 s SER 115 Cb -0.16 -2.04 0.02 0.00 0.21 0.00 0.00 66.02 64.05 1ft3 s SER 115 CO 0.10 0.31 0.43 0.72 0.41 0.00 0.00 173.24 175.20 1ft3 s PHE 116 N -0.42 0.05 -0.04 2.43 -0.71 -0.69 0.21 117.98 118.81 1ft3 s PHE 116 Ca 0.12 -0.40 0.05 0.00 -1.04 0.00 0.00 56.93 55.66 1ft3 s PHE 116 Cb -0.12 0.22 -0.01 0.00 -1.21 0.00 0.00 43.02 41.91 1ft3 s PHE 116 CO 0.01 -0.82 -0.19 1.03 -1.34 0.00 0.00 175.22 173.91 1ft3 s ARG 117 N -3.90 1.82 -0.34 1.99 0.52 -0.38 0.33 118.95 119.00 1ft3 s ARG 117 Ca 0.11 -0.68 -0.03 0.00 -0.52 0.00 0.00 55.73 54.61 1ft3 s ARG 117 Cb 0.01 -1.63 0.07 0.00 0.52 0.00 0.00 34.95 33.91 1ft3 s ARG 117 CO -0.03 0.33 0.09 0.08 0.02 0.00 0.00 175.30 175.78 1ft3 s VAL 118 N -0.16 3.23 -0.03 3.52 1.01 -1.26 -1.09 120.40 125.62 1ft3 s VAL 118 Ca 0.00 -1.55 -0.21 0.00 0.00 0.00 0.00 61.98 60.22 1ft3 s VAL 118 Cb -0.10 -2.97 -0.32 0.00 0.00 0.00 0.00 36.38 32.99 1ft3 s VAL 118 CO 0.01 -0.31 0.93 0.78 0.00 0.00 0.00 175.10 176.51 1ft3 h ASN 119 N 8.06 0.54 0.00 3.32 2.35 -0.69 -1.30 115.58 127.86 1ft3 h ASN 119 Ca -0.19 -0.94 0.00 0.00 -0.55 0.00 0.00 56.30 54.62 1ft3 h ASN 119 Cb 1.06 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.25 1ft3 h ASN 119 CO 0.60 1.44 -0.57 0.54 -1.65 0.00 0.00 177.43 177.79 1ft3 n ARG 120 N -4.06 1.86 -4.11 0.81 1.74 -1.26 -4.56 116.66 107.09 1ft3 n ARG 120 Ca -0.14 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.81 1ft3 n ARG 120 Cb 0.87 -0.79 -0.11 0.00 -1.02 0.00 0.00 32.46 31.41 1ft3 n ARG 120 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1ft3 s GLU 121 N -1.57 0.65 0.63 5.56 2.02 -1.26 -4.67 118.70 120.06 1ft3 s GLU 121 Ca 0.00 -0.95 -0.17 0.00 0.02 0.00 0.00 54.97 53.87 1ft3 s GLU 121 Cb 0.00 -0.32 -0.05 0.00 0.10 0.00 0.00 34.13 33.86 1ft3 s GLU 121 CO 0.00 0.04 0.74 -0.89 0.02 0.00 0.00 175.26 175.17 1ft3 n ILE 122 N 0.99 2.81 -4.09 -1.63 2.08 -1.26 -4.34 119.36 113.92 1ft3 n ILE 122 Ca -0.19 -0.47 -0.19 0.00 0.56 0.00 0.00 62.75 62.46 1ft3 n ILE 122 Cb 0.56 -0.91 -0.16 0.00 -0.75 0.00 0.00 39.64 38.38 1ft3 n ILE 122 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 1ft3 s VAL 123 N -1.70 0.45 0.11 1.39 -7.23 -0.04 -4.98 120.40 108.40 1ft3 s VAL 123 Ca 0.72 -0.06 0.03 0.00 -1.81 0.00 0.00 61.98 60.85 1ft3 s VAL 123 Cb -0.40 -0.50 -0.04 0.00 0.56 0.00 0.00 36.38 36.00 1ft3 s VAL 123 CO 0.52 0.21 0.16 -0.44 -0.31 0.00 0.00 175.10 175.24 1ft3 s SER 124 N 1.00 5.88 -1.39 4.85 0.01 -1.26 -1.70 113.70 121.09 1ft3 s SER 124 Ca -0.10 0.07 -0.01 0.00 1.31 0.00 0.00 55.95 57.22 1ft3 s SER 124 Cb -0.14 -1.67 0.01 0.00 0.21 0.00 0.00 66.02 64.43 1ft3 s SER 124 CO -0.01 0.13 0.53 0.61 0.41 0.00 0.00 173.24 174.91 1ft3 n GLY 125 N 0.05 -0.25 3.73 3.44 0.00 -1.23 -2.11 105.19 108.82 1ft3 n GLY 125 Ca -0.07 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1ft3 n GLY 125 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ft3 n MET 126 N -4.37 2.07 -3.71 1.61 2.81 0.16 -3.02 117.12 112.68 1ft3 n MET 126 Ca -0.29 0.74 -0.14 0.00 -1.81 0.00 0.00 57.70 56.21 1ft3 n MET 126 Cb 0.67 -2.52 -0.14 0.00 -0.71 0.00 0.00 33.22 30.53 1ft3 n MET 126 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1ft3 s LYS 127 N -2.37 0.14 -0.35 0.03 2.20 0.83 -0.90 119.74 119.33 1ft3 s LYS 127 Ca 0.62 0.56 -0.15 0.00 -0.36 0.00 0.00 55.97 56.64 1ft3 s LYS 127 Cb -0.47 -0.13 -0.01 0.00 -1.51 0.00 0.00 37.83 35.71 1ft3 s LYS 127 CO 0.57 -0.22 0.35 -0.47 -0.36 0.00 0.00 175.35 175.23 1ft3 s TYR 128 N 1.70 3.21 -0.16 4.03 5.04 0.59 -0.04 117.35 131.73 1ft3 s TYR 128 Ca -0.05 -0.07 -0.06 0.00 -2.44 0.00 0.00 57.07 54.45 1ft3 s TYR 128 Cb -0.11 -2.66 -0.04 0.00 0.35 0.00 0.00 41.96 39.49 1ft3 s TYR 128 CO -0.08 -0.44 0.06 0.42 -1.34 0.00 0.00 175.55 174.17 1ft3 s ILE 129 N 1.99 4.81 -0.09 3.14 1.01 0.53 0.03 121.20 132.63 1ft3 s ILE 129 Ca 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.72 1ft3 s ILE 129 Cb -0.17 -3.13 0.03 0.00 0.01 0.00 0.00 42.46 39.20 1ft3 s ILE 129 CO 0.12 0.51 -0.04 -1.58 0.00 0.00 0.00 174.94 173.94 1ft3 s GLN 130 N -0.06 1.08 -0.21 2.79 0.74 -0.41 -1.32 119.66 122.28 1ft3 s GLN 130 Ca 0.07 -0.09 -0.02 0.00 0.05 0.00 0.00 55.36 55.36 1ft3 s GLN 130 Cb -0.12 -1.26 0.00 0.00 1.10 0.00 0.00 33.01 32.73 1ft3 s GLN 130 CO 0.01 -0.26 -0.09 -1.01 -0.55 0.00 0.00 175.29 173.39 1ft3 s HIS 131 N 1.71 2.90 -0.19 1.67 3.76 -0.09 -1.80 115.29 123.25 1ft3 s HIS 131 Ca 0.03 -1.16 -0.07 0.00 -0.15 0.00 0.00 55.06 53.70 1ft3 s HIS 131 Cb -0.13 -2.05 -0.04 0.00 1.11 0.00 0.00 32.58 31.48 1ft3 s HIS 131 CO -0.06 -0.63 0.06 0.99 -0.85 0.00 0.00 174.74 174.25 1ft3 s THR 132 N 1.42 4.67 0.06 1.30 2.01 -0.05 0.36 115.64 125.40 1ft3 s THR 132 Ca 0.05 -0.07 0.08 0.00 0.31 0.00 0.00 61.69 62.06 1ft3 s THR 132 Cb -0.14 -3.12 -0.03 0.00 0.01 0.00 0.00 72.50 69.22 1ft3 s THR 132 CO -0.06 0.43 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.80 1ft3 s TYR 133 N 0.63 2.53 -0.00 4.92 1.51 0.18 -1.31 117.35 125.80 1ft3 s TYR 133 Ca 0.03 -0.27 0.01 0.00 -1.01 0.00 0.00 57.07 55.82 1ft3 s TYR 133 Cb -0.13 -1.43 -0.00 0.00 -0.11 0.00 0.00 41.96 40.29 1ft3 s TYR 133 CO 0.02 0.27 -0.02 0.50 -1.11 0.00 0.00 175.55 175.21 1ft3 s ARG 134 N -1.57 0.16 -1.67 -0.62 3.52 -0.02 -0.35 118.95 118.39 1ft3 s ARG 134 Ca 0.15 -0.09 -0.18 0.00 -0.13 0.00 0.00 55.73 55.48 1ft3 s ARG 134 Cb -0.10 -0.14 0.15 0.00 -1.56 0.00 0.00 34.95 33.29 1ft3 s ARG 134 CO 0.06 0.04 0.82 1.63 -0.81 0.00 0.00 175.30 177.03 1ft3 n LYS 135 N 2.97 -3.56 -0.24 5.12 4.76 -1.26 -0.42 118.16 125.52 1ft3 n LYS 135 Ca -0.13 0.41 0.00 0.00 -2.87 0.00 0.00 58.31 55.72 1ft3 n LYS 135 Cb 0.59 -5.16 0.00 0.00 -1.84 0.00 0.00 35.03 28.62 1ft3 n LYS 135 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ft3 n GLY 136 N -1.45 1.93 3.39 0.72 0.00 -1.26 -5.00 105.19 103.51 1ft3 n GLY 136 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1ft3 n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ft3 s VAL 137 N -2.78 2.33 -0.22 1.61 0.11 0.44 -5.06 120.40 116.82 1ft3 s VAL 137 Ca 0.00 -1.46 -0.29 0.00 -2.93 0.00 0.00 61.98 57.30 1ft3 s VAL 137 Cb 0.00 -1.97 -0.03 0.00 -1.53 0.00 0.00 36.38 32.85 1ft3 s VAL 137 CO 0.00 0.27 1.81 -0.75 -3.33 0.00 0.00 175.10 173.10 1ft3 s LYS 138 N -1.55 3.58 -0.02 1.54 2.20 -1.26 -0.84 119.74 123.39 1ft3 s LYS 138 Ca 0.13 1.76 0.19 0.00 -0.36 0.00 0.00 55.97 57.69 1ft3 s LYS 138 Cb -0.10 -4.15 -0.27 0.00 -1.51 0.00 0.00 37.83 31.80 1ft3 s LYS 138 CO 0.04 -1.56 0.56 0.44 -0.36 0.00 0.00 175.35 174.47 1ft3 n ILE 139 N 6.85 0.00 -3.70 5.43 -5.35 -0.43 -4.95 119.36 117.21 1ft3 n ILE 139 Ca 0.22 -0.31 -0.13 0.00 -0.27 0.00 0.00 62.75 62.26 1ft3 n ILE 139 Cb 0.45 0.39 -0.09 0.00 -1.74 0.00 0.00 39.64 38.65 1ft3 n ILE 139 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1ft3 s ASP 140 N -3.72 -0.54 -0.28 7.28 3.68 -1.01 -5.02 116.67 117.06 1ft3 s ASP 140 Ca -0.02 1.03 -0.02 0.00 2.13 0.00 0.00 52.55 55.66 1ft3 s ASP 140 Cb 0.13 1.02 0.09 0.00 -1.45 0.00 0.00 42.92 42.72 1ft3 s ASP 140 CO 0.80 -0.18 0.09 0.00 0.13 0.00 0.00 175.17 176.01 1ft3 s ALA 141 N 0.41 1.14 -0.08 3.66 0.00 -1.26 -0.87 121.76 124.75 1ft3 s ALA 141 Ca -0.01 -1.27 0.05 0.00 0.00 0.00 0.00 51.96 50.73 1ft3 s ALA 141 Cb -0.04 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.63 1ft3 s ALA 141 CO -0.01 -1.54 -0.24 0.99 0.00 0.00 0.00 175.76 174.95 1ft3 s THR 142 N 1.82 2.04 -0.23 0.00 2.01 -0.74 -5.02 115.64 115.51 1ft3 s THR 142 Ca 0.07 -1.04 -0.04 0.00 0.31 0.00 0.00 61.69 60.99 1ft3 s THR 142 Cb -0.17 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.59 1ft3 s THR 142 CO -0.25 0.56 -0.02 -1.81 -0.69 0.00 0.00 174.62 172.41 1ft3 s ASP 143 N 0.06 4.44 -0.18 3.53 1.11 -1.26 -1.28 116.67 123.08 1ft3 s ASP 143 Ca -0.10 -0.45 -0.08 0.00 0.18 0.00 0.00 52.55 52.10 1ft3 s ASP 143 Cb -0.16 -1.76 -0.04 0.00 1.07 0.00 0.00 42.92 42.03 1ft3 s ASP 143 CO 0.06 -0.05 0.10 -0.31 1.18 0.00 0.00 175.17 176.15 1ft3 s TYR 144 N 1.48 3.35 -0.31 4.23 2.02 0.11 -4.97 117.35 123.25 1ft3 s TYR 144 Ca 0.05 0.23 -0.25 0.00 -0.37 0.00 0.00 57.07 56.73 1ft3 s TYR 144 Cb -0.15 -2.10 0.00 0.00 -0.40 0.00 0.00 41.96 39.32 1ft3 s TYR 144 CO -0.02 0.27 0.86 -1.64 -1.57 0.00 0.00 175.55 173.44 1ft3 s MET 145 N 0.23 3.99 -0.07 -0.62 -1.94 -1.26 -0.30 119.30 119.34 1ft3 s MET 145 Ca 0.06 0.71 -0.03 0.00 -1.71 0.00 0.00 55.69 54.73 1ft3 s MET 145 Cb -0.12 -3.73 -0.27 0.00 2.01 0.00 0.00 34.83 32.73 1ft3 s MET 145 CO -0.01 -0.73 0.58 0.28 -0.01 0.00 0.00 175.02 175.13 1ft3 h VAL 146 N 5.63 0.83 0.00 -6.03 2.07 -1.36 -3.48 116.25 113.91 1ft3 h VAL 146 Ca -0.23 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 64.75 1ft3 h VAL 146 Cb 1.09 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.45 1ft3 h VAL 146 CO 0.92 0.80 0.00 0.61 0.02 0.00 0.00 177.57 179.92 1ft3 n GLY 147 N 1.82 -0.37 3.57 2.17 0.00 -1.06 -4.89 105.19 106.44 1ft3 n GLY 147 Ca -0.25 -2.21 -0.34 0.00 0.00 0.00 0.00 46.02 43.22 1ft3 n GLY 147 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ft3 s SER 148 N -4.00 4.67 0.01 1.61 0.01 -1.26 0.39 113.70 115.13 1ft3 s SER 148 Ca 0.00 -0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.25 1ft3 s SER 148 Cb 0.00 -1.24 -0.01 0.00 0.21 0.00 0.00 66.02 64.98 1ft3 s SER 148 CO 0.00 0.34 -0.06 -0.31 0.41 0.00 0.00 173.24 173.63 1ft3 s TYR 149 N -0.69 0.49 0.38 2.43 1.51 -0.69 -4.97 117.35 115.81 1ft3 s TYR 149 Ca 0.10 -0.24 0.07 0.00 -1.01 0.00 0.00 57.07 56.00 1ft3 s TYR 149 Cb -0.11 -0.30 -0.01 0.00 -0.11 0.00 0.00 41.96 41.42 1ft3 s TYR 149 CO 0.02 -0.04 0.43 0.20 -1.11 0.00 0.00 175.55 175.05 1ft3 s GLY 150 N -0.66 1.89 0.58 0.71 0.00 -1.26 -0.86 107.32 107.72 1ft3 s GLY 150 Ca -0.03 -1.68 -0.20 0.00 0.00 0.00 0.00 44.72 42.81 1ft3 s GLY 150 CO -0.00 -1.55 1.24 -1.55 0.00 0.00 0.00 173.10 171.25 1ft3 n PRO 151 N -1.61 1.35 -3.80 2.90 -0.04 -1.26 -4.71 135.00 127.83 1ft3 n PRO 151 Ca 0.03 0.51 -0.03 0.00 -0.04 0.00 0.00 63.50 63.96 1ft3 n PRO 151 Cb 0.60 -2.45 -0.00 0.00 -0.04 0.00 0.00 33.50 31.60 1ft3 n PRO 151 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1ft3 s ARG 152 N -2.95 1.23 -0.20 0.54 3.52 -0.49 -5.00 118.95 115.59 1ft3 s ARG 152 Ca 0.75 -0.73 -0.17 0.00 -0.13 0.00 0.00 55.73 55.45 1ft3 s ARG 152 Cb -0.41 0.38 -0.13 0.00 -1.56 0.00 0.00 34.95 33.23 1ft3 s ARG 152 CO 0.47 -0.57 -0.01 0.00 -0.81 0.00 0.00 175.30 174.38 1ft3 n ALA 153 N -0.56 0.78 -1.77 6.12 0.00 -1.26 -4.65 120.51 119.17 1ft3 n ALA 153 Ca -0.05 -0.60 -0.38 0.00 0.00 0.00 0.00 53.44 52.42 1ft3 n ALA 153 Cb 0.60 -0.28 -0.06 0.00 0.00 0.00 0.00 19.45 19.72 1ft3 n ALA 153 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1ft3 s GLU 154 N -2.39 4.61 0.73 0.00 -1.05 -1.26 -5.00 118.70 114.33 1ft3 s GLU 154 Ca -0.27 1.38 -0.16 0.00 -0.15 0.00 0.00 54.97 55.77 1ft3 s GLU 154 Cb 0.06 -2.87 -0.00 0.00 -0.44 0.00 0.00 34.13 30.88 1ft3 s GLU 154 CO 0.48 0.29 0.81 0.39 0.95 0.00 0.00 175.26 178.18 1ft3 n GLU 155 N 0.69 0.40 -3.86 -4.83 1.02 -1.26 -4.92 120.64 107.87 1ft3 n GLU 155 Ca 0.01 0.19 -0.22 0.00 -0.02 0.00 0.00 57.16 57.12 1ft3 n GLU 155 Cb 0.49 -2.08 -0.02 0.00 -0.02 0.00 0.00 31.44 29.81 1ft3 n GLU 155 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1ft3 s TYR 156 N -1.88 3.46 -0.11 -0.32 2.02 0.15 -4.92 117.35 115.75 1ft3 s TYR 156 Ca 0.70 0.06 -0.04 0.00 -0.37 0.00 0.00 57.07 57.43 1ft3 s TYR 156 Cb -0.34 -1.64 0.05 0.00 -0.40 0.00 0.00 41.96 39.63 1ft3 s TYR 156 CO 0.53 0.39 0.09 -1.21 -1.57 0.00 0.00 175.55 173.79 1ft3 s GLU 157 N -3.95 0.00 -0.15 -0.62 2.02 -1.26 -1.70 118.70 113.04 1ft3 s GLU 157 Ca 0.35 0.18 -0.17 0.00 0.02 0.00 0.00 54.97 55.35 1ft3 s GLU 157 Cb -0.09 -1.12 -0.04 0.00 0.10 0.00 0.00 34.13 32.97 1ft3 s GLU 157 CO 0.30 -0.50 0.41 0.12 0.02 0.00 0.00 175.26 175.62 1ft3 s PHE 158 N 2.17 3.46 -0.10 1.61 5.36 0.29 -4.93 117.98 125.84 1ft3 s PHE 158 Ca 0.04 0.74 0.01 0.00 -0.96 0.00 0.00 56.93 56.76 1ft3 s PHE 158 Cb -0.14 -2.50 -0.02 0.00 -0.34 0.00 0.00 43.02 40.02 1ft3 s PHE 158 CO -0.06 0.12 -0.14 -0.51 -1.46 0.00 0.00 175.22 173.17 1ft3 s LEU 159 N 0.82 2.67 0.66 6.12 1.43 -1.26 -0.57 118.68 128.55 1ft3 s LEU 159 Ca 0.22 -0.31 -0.07 0.00 -1.03 0.00 0.00 54.13 52.94 1ft3 s LEU 159 Cb -0.14 -1.58 0.03 0.00 0.03 0.00 0.00 46.19 44.53 1ft3 s LEU 159 CO 0.08 0.22 0.98 0.42 0.23 0.00 0.00 176.35 178.28 1ft3 s THR 160 N 0.04 2.98 0.89 5.49 -4.23 -0.72 -4.98 115.64 115.12 1ft3 s THR 160 Ca -0.05 -0.06 -0.10 0.00 -1.18 0.00 0.00 61.69 60.30 1ft3 s THR 160 Cb -0.15 -3.25 0.13 0.00 1.34 0.00 0.00 72.50 70.58 1ft3 s THR 160 CO 0.04 -0.27 1.12 -2.84 -0.54 0.00 0.00 174.62 172.14 1ft3 s PRO 161 N -5.16 1.21 0.21 3.99 0.02 -1.26 -4.57 135.00 129.43 1ft3 s PRO 161 Ca 0.57 1.36 -0.31 0.00 0.02 0.00 0.00 61.00 62.64 1ft3 s PRO 161 Cb -0.11 -1.76 -0.10 0.00 0.02 0.00 0.00 34.50 32.55 1ft3 s PRO 161 CO 0.46 -2.44 1.54 0.08 -0.33 0.00 0.00 177.00 176.31 1ft3 s VAL 162 N -2.72 2.55 0.37 3.83 1.01 -1.26 -4.69 120.40 119.49 1ft3 s VAL 162 Ca 0.65 0.42 0.07 0.00 0.00 0.00 0.00 61.98 63.12 1ft3 s VAL 162 Cb -0.21 -3.27 -0.07 0.00 0.00 0.00 0.00 36.38 32.83 1ft3 s VAL 162 CO 0.58 0.05 0.00 -1.61 0.00 0.00 0.00 175.10 174.12 1ft3 s GLU 163 N 0.49 1.84 -0.10 2.72 0.41 0.79 -4.96 118.70 119.89 1ft3 s GLU 163 Ca 0.66 -2.02 0.01 0.00 -0.41 0.00 0.00 54.97 53.22 1ft3 s GLU 163 Cb -0.44 -1.43 0.02 0.00 -1.78 0.00 0.00 34.13 30.50 1ft3 s GLU 163 CO 0.37 -0.05 -0.12 -2.00 -0.49 0.00 0.00 175.26 172.97 1ft3 s GLU 164 N -3.74 1.86 0.09 1.61 2.12 -1.26 -0.97 118.70 118.40 1ft3 s GLU 164 Ca 0.35 -0.42 -0.33 0.00 0.36 0.00 0.00 54.97 54.92 1ft3 s GLU 164 Cb 0.08 -1.66 -0.12 0.00 0.26 0.00 0.00 34.13 32.69 1ft3 s GLU 164 CO 0.17 -0.11 1.75 0.00 -0.54 0.00 0.00 175.26 176.53 1ft3 n ALA 165 N 4.34 1.59 -1.46 6.30 0.00 0.07 -4.84 120.51 126.51 1ft3 n ALA 165 Ca -0.18 0.36 -0.41 0.00 0.00 0.00 0.00 53.44 53.20 1ft3 n ALA 165 Cb 0.51 -2.48 0.01 0.00 0.00 0.00 0.00 19.45 17.49 1ft3 n ALA 165 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ft3 n PRO 166 N 5.05 0.58 -4.55 0.00 -0.04 -1.26 -1.10 135.00 133.68 1ft3 n PRO 166 Ca 0.19 0.21 -0.27 0.00 -0.04 0.00 0.00 63.50 63.59 1ft3 n PRO 166 Cb 0.32 -1.55 -0.14 0.00 -0.04 0.00 0.00 33.50 32.10 1ft3 n PRO 166 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1ft3 s LYS 167 N -1.66 1.43 0.00 0.54 2.20 -1.26 -3.63 119.74 117.36 1ft3 s LYS 167 Ca 0.64 -1.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.10 1ft3 s LYS 167 Cb -0.57 -1.70 0.00 0.00 -1.51 0.00 0.00 37.83 34.04 1ft3 s LYS 167 CO 0.58 0.42 0.00 0.41 -0.36 0.00 0.00 175.35 176.40 1ft3 n GLY 168 N 1.38 -0.32 0.42 5.54 0.00 -1.26 -4.35 105.19 106.59 1ft3 n GLY 168 Ca -0.18 -1.80 0.18 0.00 0.00 0.00 0.00 46.02 44.22 1ft3 n GLY 168 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1ft3 h MET 169 N 0.00 0.00 -0.27 1.61 4.05 -1.99 0.13 114.93 118.46 1ft3 h MET 169 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1ft3 h MET 169 Cb 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1ft3 h MET 169 CO 0.00 0.00 0.00 1.28 0.23 0.00 0.00 176.91 178.42 1ft3 n LEU 170 N -3.15 2.73 0.00 3.39 4.77 -1.26 -4.67 117.00 118.80 1ft3 n LEU 170 Ca 0.10 -2.02 0.00 0.00 -0.03 0.00 0.00 56.01 54.06 1ft3 n LEU 170 Cb 0.99 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 1ft3 n LEU 170 CO 0.18 0.68 -0.36 0.00 -1.33 0.00 0.00 177.39 176.56 1ft3 n ALA 171 N 0.27 1.84 -1.60 -1.18 0.00 0.32 -5.05 120.51 115.10 1ft3 n ALA 171 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.13 1ft3 n ALA 171 Cb 0.39 0.26 0.02 0.00 0.00 0.00 0.00 19.45 20.12 1ft3 n ALA 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ft3 n ARG 172 N -1.85 1.21 0.00 0.00 3.00 -0.49 -4.86 116.66 113.67 1ft3 n ARG 172 Ca 0.00 0.44 0.00 0.00 -0.01 0.00 0.00 57.85 58.28 1ft3 n ARG 172 Cb 0.36 -2.05 0.00 0.00 0.00 0.00 0.00 32.46 30.77 1ft3 n ARG 172 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ft3 n GLY 173 N 1.24 1.77 3.77 -0.13 0.00 -1.03 -5.00 105.19 105.82 1ft3 n GLY 173 Ca 0.10 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 43.97 1ft3 n GLY 173 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ft3 s SER 174 N 0.00 6.50 0.14 1.61 0.01 -1.26 -0.92 113.70 119.77 1ft3 s SER 174 Ca 0.00 0.58 0.11 0.00 1.31 0.00 0.00 55.95 57.96 1ft3 s SER 174 Cb 0.00 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 1ft3 s SER 174 CO 0.00 0.19 -0.27 -0.31 0.41 0.00 0.00 173.24 173.26 1ft3 s TYR 175 N -0.05 2.31 -0.09 2.43 1.51 0.22 -4.50 117.35 119.17 1ft3 s TYR 175 Ca 0.18 -0.38 0.04 0.00 -1.01 0.00 0.00 57.07 55.90 1ft3 s TYR 175 Cb -0.13 -1.23 0.00 0.00 -0.11 0.00 0.00 41.96 40.48 1ft3 s TYR 175 CO 0.06 0.36 -0.22 -1.12 -1.11 0.00 0.00 175.55 173.52 1ft3 s SER 176 N -2.15 2.88 -0.20 2.29 0.01 0.53 -1.34 113.70 115.71 1ft3 s SER 176 Ca 0.15 -0.52 -0.05 0.00 1.31 0.00 0.00 55.95 56.85 1ft3 s SER 176 Cb -0.10 -1.29 -0.02 0.00 0.21 0.00 0.00 66.02 64.82 1ft3 s SER 176 CO 0.07 0.14 -0.01 -0.63 0.41 0.00 0.00 173.24 173.22 1ft3 s ILE 177 N 0.37 3.84 -0.45 1.44 -1.09 0.18 0.48 121.20 125.97 1ft3 s ILE 177 Ca -0.18 -0.35 -0.15 0.00 -2.23 0.00 0.00 60.65 57.74 1ft3 s ILE 177 Cb -0.17 -2.73 0.05 0.00 -1.58 0.00 0.00 42.46 38.02 1ft3 s ILE 177 CO 0.08 0.43 0.36 -0.54 -1.23 0.00 0.00 174.94 174.03 1ft3 s LYS 178 N 1.07 2.97 0.11 2.79 1.02 0.16 -1.15 119.74 126.70 1ft3 s LYS 178 Ca 0.02 -1.22 0.03 0.00 0.02 0.00 0.00 55.97 54.82 1ft3 s LYS 178 Cb -0.14 -4.07 -0.04 0.00 -0.52 0.00 0.00 37.83 33.06 1ft3 s LYS 178 CO 0.01 -0.91 0.14 -1.12 -0.92 0.00 0.00 175.35 172.55 1ft3 s SER 179 N 2.22 5.74 -0.14 2.83 0.01 0.17 -0.91 113.70 123.62 1ft3 s SER 179 Ca 0.04 0.01 -0.24 0.00 1.31 0.00 0.00 55.95 57.08 1ft3 s SER 179 Cb -0.22 -1.59 0.06 0.00 0.21 0.00 0.00 66.02 64.48 1ft3 s SER 179 CO 0.08 0.13 0.60 -0.60 0.41 0.00 0.00 173.24 173.85 1ft3 s ARG 180 N -2.72 0.83 -0.08 12.44 3.52 -0.43 -0.77 118.95 131.74 1ft3 s ARG 180 Ca 0.31 0.51 0.05 0.00 -0.13 0.00 0.00 55.73 56.46 1ft3 s ARG 180 Cb -0.12 0.40 -0.01 0.00 -1.56 0.00 0.00 34.95 33.66 1ft3 s ARG 180 CO 0.24 -0.18 -0.23 0.12 -0.81 0.00 0.00 175.30 174.44 1ft3 s PHE 181 N -0.43 2.54 0.36 5.12 5.36 -0.17 -0.34 117.98 130.42 1ft3 s PHE 181 Ca -0.06 -0.81 -0.09 0.00 -0.96 0.00 0.00 56.93 55.02 1ft3 s PHE 181 Cb -0.03 -1.67 0.03 0.00 -0.34 0.00 0.00 43.02 41.01 1ft3 s PHE 181 CO 0.05 -0.27 0.62 -0.08 -1.46 0.00 0.00 175.22 174.08 1ft3 s THR 182 N 0.05 0.00 0.02 0.12 -1.32 0.94 -2.72 115.64 112.73 1ft3 s THR 182 Ca -0.09 -1.31 0.00 0.00 -1.21 0.00 0.00 61.69 59.08 1ft3 s THR 182 Cb -0.15 -2.74 -0.00 0.00 -1.51 0.00 0.00 72.50 68.09 1ft3 s THR 182 CO 0.06 0.00 0.01 -0.90 -2.21 0.00 0.00 174.62 171.58 1ft3 n ASP 183 N -1.40 0.46 -0.35 8.08 5.68 -1.26 0.29 116.55 128.06 1ft3 n ASP 183 Ca -0.03 -1.11 0.09 0.00 -0.50 0.00 0.00 54.79 53.24 1ft3 n ASP 183 Cb 0.61 0.07 0.28 0.00 -1.14 0.00 0.00 41.12 40.93 1ft3 n ASP 183 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1ft3 h ASP 184 N 0.09 0.86 0.01 -1.12 3.32 -1.33 0.31 116.42 118.56 1ft3 h ASP 184 Ca -0.01 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1ft3 h ASP 184 Cb 0.06 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1ft3 h ASP 184 CO 0.02 0.43 0.00 0.47 -1.72 0.00 0.00 179.24 178.44 1ft3 n ASP 185 N -4.64 0.00 -2.04 6.45 8.00 -1.26 -4.82 116.55 118.24 1ft3 n ASP 185 Ca 0.20 -0.50 -0.21 0.00 0.71 0.00 0.00 54.79 54.98 1ft3 n ASP 185 Cb 0.42 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.46 1ft3 n ASP 185 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ft3 n LYS 186 N -1.01 -1.57 -2.17 -1.24 4.76 0.11 -4.93 118.16 112.10 1ft3 n LYS 186 Ca 0.12 1.11 -0.40 0.00 -2.87 0.00 0.00 58.31 56.28 1ft3 n LYS 186 Cb 0.06 -5.65 -0.02 0.00 -1.84 0.00 0.00 35.03 27.58 1ft3 n LYS 186 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1ft3 s THR 187 N -2.93 2.85 -1.20 -0.18 2.01 -1.26 -4.85 115.64 110.09 1ft3 s THR 187 Ca 0.00 0.79 -0.11 0.00 0.31 0.00 0.00 61.69 62.68 1ft3 s THR 187 Cb 0.00 -3.48 0.20 0.00 0.01 0.00 0.00 72.50 69.23 1ft3 s THR 187 CO 0.00 0.14 1.46 -0.67 -0.69 0.00 0.00 174.62 174.86 1ft3 n ASP 188 N 0.43 5.34 0.19 3.53 2.03 -1.26 -3.99 116.55 122.82 1ft3 n ASP 188 Ca 0.02 -3.04 0.14 0.00 0.52 0.00 0.00 54.79 52.43 1ft3 n ASP 188 Cb 0.44 -1.50 0.73 0.00 -0.72 0.00 0.00 41.12 40.07 1ft3 n ASP 188 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1ft3 h HIS 189 N 6.67 0.00 0.00 -0.67 3.86 -1.88 -3.44 115.15 119.69 1ft3 h HIS 189 Ca 0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 1ft3 h HIS 189 Cb 0.81 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.28 1ft3 h HIS 189 CO 1.05 0.00 0.00 -0.11 0.86 0.00 0.00 177.93 179.73 1ft3 n LEU 190 N -4.23 0.00 -3.98 2.43 7.94 -1.24 -4.54 117.00 113.38 1ft3 n LEU 190 Ca 0.01 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.70 1ft3 n LEU 190 Cb 0.27 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.06 1ft3 n LEU 190 CO 0.32 0.00 -0.44 -0.44 -1.11 0.00 0.00 177.39 175.72 1ft3 s SER 191 N 0.00 1.32 0.11 1.96 0.01 -1.26 -1.00 113.70 114.84 1ft3 s SER 191 Ca 0.00 -0.21 -0.08 0.00 1.31 0.00 0.00 55.95 56.97 1ft3 s SER 191 Cb 0.00 -0.53 -0.01 0.00 0.21 0.00 0.00 66.02 65.69 1ft3 s SER 191 CO 0.00 0.02 0.21 -1.66 0.41 0.00 0.00 173.24 172.22 1ft3 s TRP 192 N 0.56 0.26 -0.01 2.43 -2.14 0.05 -4.98 118.94 115.11 1ft3 s TRP 192 Ca -0.10 -0.67 0.06 0.00 2.66 0.00 0.00 56.10 58.05 1ft3 s TRP 192 Cb -0.13 -0.08 -0.02 0.00 -3.10 0.00 0.00 33.47 30.15 1ft3 s TRP 192 CO 0.02 -0.59 -0.19 -2.00 -2.66 0.00 0.00 176.95 171.52 1ft3 s GLU 193 N -3.90 1.54 0.18 3.25 2.12 -1.26 0.43 118.70 121.05 1ft3 s GLU 193 Ca 0.09 -0.69 -0.09 0.00 0.36 0.00 0.00 54.97 54.65 1ft3 s GLU 193 Cb 0.05 -1.49 -0.01 0.00 0.26 0.00 0.00 34.13 32.93 1ft3 s GLU 193 CO -0.07 0.41 0.29 1.67 -0.54 0.00 0.00 175.26 177.02 1ft3 s TRP 194 N -0.46 0.48 -0.07 5.30 1.48 -0.30 -4.08 118.94 121.29 1ft3 s TRP 194 Ca 0.07 -0.83 0.04 0.00 -1.06 0.00 0.00 56.10 54.32 1ft3 s TRP 194 Cb -0.07 -0.08 -0.02 0.00 -1.16 0.00 0.00 33.47 32.14 1ft3 s TRP 194 CO -0.01 -0.75 -0.18 -0.80 -4.06 0.00 0.00 176.95 171.15 1ft3 s ASN 195 N -3.00 3.69 -0.24 -2.66 0.01 -1.26 0.48 114.94 111.97 1ft3 s ASN 195 Ca 0.21 -0.33 0.01 0.00 -0.71 0.00 0.00 52.86 52.03 1ft3 s ASN 195 Cb 0.03 -0.97 0.06 0.00 0.41 0.00 0.00 41.25 40.78 1ft3 s ASN 195 CO 0.03 0.28 -0.06 -0.22 -1.51 0.00 0.00 177.10 175.62 1ft3 s LEU 196 N -0.33 2.67 -0.21 0.60 2.96 -0.45 0.12 118.68 124.04 1ft3 s LEU 196 Ca 0.02 -1.21 -0.08 0.00 -0.22 0.00 0.00 54.13 52.64 1ft3 s LEU 196 Cb -0.13 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.30 1ft3 s LEU 196 CO 0.02 -0.23 0.10 -0.89 -1.32 0.00 0.00 176.35 174.03 1ft3 s THR 197 N 1.36 4.92 -0.22 3.68 2.01 0.13 -0.61 115.64 126.91 1ft3 s THR 197 Ca -0.06 0.02 -0.09 0.00 0.31 0.00 0.00 61.69 61.87 1ft3 s THR 197 Cb -0.19 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 1ft3 s THR 197 CO -0.06 0.40 0.11 -0.63 -0.69 0.00 0.00 174.62 173.75 1ft3 s ILE 198 N 0.78 4.95 0.42 1.82 1.01 -0.10 -1.49 121.20 128.59 1ft3 s ILE 198 Ca 0.05 0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.76 1ft3 s ILE 198 Cb -0.13 -3.28 -0.01 0.00 0.01 0.00 0.00 42.46 39.04 1ft3 s ILE 198 CO 0.02 0.38 0.09 0.29 0.00 0.00 0.00 174.94 175.73 1ft3 n LYS 199 N 4.17 0.67 0.09 2.79 5.02 -1.08 -2.45 118.16 127.37 1ft3 n LYS 199 Ca -0.16 -3.38 -0.18 0.00 -2.02 0.00 0.00 58.31 52.57 1ft3 n LYS 199 Cb 0.52 1.51 -0.11 0.00 -0.02 0.00 0.00 35.03 36.94 1ft3 n LYS 199 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1ft3 h LYS 200 N 0.00 0.46 -4.45 1.97 3.64 -1.96 0.17 116.57 116.40 1ft3 h LYS 200 Ca -0.34 -0.62 -0.19 0.00 -1.27 0.00 0.00 60.65 58.24 1ft3 h LYS 200 Cb 1.18 0.20 -0.16 0.00 -0.41 0.00 0.00 32.23 33.05 1ft3 h LYS 200 CO 0.54 1.26 -0.69 -0.51 -2.27 0.00 0.00 179.45 177.77 1ft3 s ASP 201 N -7.25 0.82 0.02 4.20 1.01 -1.26 -4.56 116.67 109.64 1ft3 s ASP 201 Ca -0.07 -0.93 -0.10 0.00 0.71 0.00 0.00 52.55 52.16 1ft3 s ASP 201 Cb 0.07 0.13 -0.05 0.00 1.01 0.00 0.00 42.92 44.07 1ft3 s ASP 201 CO 0.90 -0.48 1.15 -0.50 0.21 0.00 0.00 175.17 176.45 1ft3 h TRP 202 N 3.27 -0.33 0.00 4.23 4.06 -1.93 -3.44 115.95 121.81 1ft3 h TRP 202 Ca -0.35 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.60 1ft3 h TRP 202 Cb 1.16 0.11 0.00 0.00 -1.00 0.00 0.00 29.16 29.43 1ft3 h TRP 202 CO 0.58 -0.20 0.00 0.36 -3.56 0.00 0.00 178.44 175.61