#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x1w h ILE 118 N 0.00 0.48 0.00 6.31 5.03 -2.08 -2.62 117.51 124.63 2x1w h ILE 118 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.74 2x1w h ILE 118 Cb 0.00 1.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.79 2x1w h ILE 118 CO 0.00 0.00 -0.61 -0.11 -0.68 0.00 0.00 178.15 176.75 2x1w n LEU 119 N -3.78 0.35 0.04 1.44 0.00 -1.26 -4.53 117.00 109.26 2x1w n LEU 119 Ca -0.03 -0.41 -0.11 0.00 0.00 0.00 0.00 56.01 55.46 2x1w n LEU 119 Cb 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.45 2x1w n LEU 119 CO 0.27 0.09 0.83 0.11 0.00 0.00 0.00 177.39 178.69 2x1w h LYS 120 N 0.00 -0.08 -0.36 1.96 1.57 -1.92 -2.80 116.57 114.95 2x1w h LYS 120 Ca 0.00 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 2x1w h LYS 120 Cb 0.25 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2x1w h LYS 120 CO 0.00 -0.05 -0.11 0.66 -0.57 0.00 0.00 179.45 179.38 2x1w h SER 121 N -0.08 0.72 -0.46 0.86 4.64 -1.80 -2.58 113.55 114.84 2x1w h SER 121 Ca 0.03 -0.38 0.07 0.00 -0.47 0.00 0.00 61.79 61.04 2x1w h SER 121 Cb 0.12 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 61.96 2x1w h SER 121 CO -0.07 0.93 0.12 0.40 -0.87 0.00 0.00 176.83 177.34 2x1w h ILE 122 N 0.50 0.79 -0.65 0.95 2.04 -1.78 0.20 117.51 119.55 2x1w h ILE 122 Ca 0.09 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.89 2x1w h ILE 122 Cb 0.63 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 2x1w h ILE 122 CO 0.04 0.05 0.43 -0.78 0.00 0.00 0.00 178.15 177.89 2x1w h ASP 123 N 0.27 0.66 -0.17 1.72 1.82 -1.44 -1.14 116.42 118.15 2x1w h ASP 123 Ca 0.23 -0.01 -0.09 0.00 -0.39 0.00 0.00 57.03 56.76 2x1w h ASP 123 Cb 0.27 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.11 2x1w h ASP 123 CO -0.27 0.46 -0.19 -1.13 -1.61 0.00 0.00 179.24 176.50 2x1w h ASN 124 N 0.77 0.59 -0.43 2.28 -1.24 -0.35 -1.59 115.58 115.62 2x1w h ASN 124 Ca 0.26 -0.19 -0.06 0.00 0.71 0.00 0.00 56.30 57.02 2x1w h ASN 124 Cb 0.08 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 38.95 2x1w h ASN 124 CO -0.07 0.79 0.03 -0.33 -1.29 0.00 0.00 177.43 176.56 2x1w h GLU 125 N 0.54 0.74 0.30 6.67 4.39 0.43 -1.98 114.58 125.66 2x1w h GLU 125 Ca 0.09 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 2x1w h GLU 125 Cb 0.62 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2x1w h GLU 125 CO 0.04 0.80 -0.17 -1.49 -1.16 0.00 0.00 179.01 177.03 2x1w h TRP 126 N 0.59 -0.43 -0.62 4.33 6.55 -1.23 -2.46 115.95 122.68 2x1w h TRP 126 Ca 0.13 -0.01 0.09 0.00 0.95 0.00 0.00 58.89 60.05 2x1w h TRP 126 Cb 0.44 0.15 -0.07 0.00 -0.86 0.00 0.00 29.16 28.82 2x1w h TRP 126 CO 0.03 -0.26 0.24 -0.09 -1.05 0.00 0.00 178.44 177.31 2x1w h ARG 127 N -0.44 0.42 0.00 0.49 2.43 -1.22 -1.47 114.38 114.59 2x1w h ARG 127 Ca -0.04 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2x1w h ARG 127 Cb 0.35 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2x1w h ARG 127 CO 0.05 0.28 -0.02 0.87 -1.51 0.00 0.00 179.97 179.64 2x1w h LYS 128 N 0.44 0.00 -0.41 0.20 1.57 -1.31 -3.21 116.57 113.84 2x1w h LYS 128 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 2x1w h LYS 128 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2x1w h LYS 128 CO -0.29 0.02 0.00 0.25 -0.57 0.00 0.00 179.45 178.85 2x1w n THR 129 N -3.11 1.02 -1.96 -0.16 -2.24 -0.61 -5.02 114.28 102.20 2x1w n THR 129 Ca 0.02 -1.01 -0.33 0.00 -2.27 0.00 0.00 64.05 60.46 2x1w n THR 129 Cb 0.38 0.49 0.02 0.00 -2.10 0.00 0.00 70.33 69.12 2x1w n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2x1w s GLN 130 N -1.02 3.13 -0.02 -0.78 -2.07 -0.89 -0.32 119.66 117.69 2x1w s GLN 130 Ca 0.28 1.30 -0.34 0.00 -1.82 0.00 0.00 55.36 54.78 2x1w s GLN 130 Cb 0.15 -2.00 -0.12 0.00 -1.09 0.00 0.00 33.01 29.94 2x1w s GLN 130 CO 0.19 -0.97 1.79 0.00 -1.32 0.00 0.00 175.29 174.97 2x1w s MET 132 N 3.14 0.56 0.28 0.00 0.00 -0.65 -4.87 119.30 117.77 2x1w s MET 132 Ca 0.89 -0.27 -0.29 0.00 0.00 0.00 0.00 55.69 56.02 2x1w s MET 132 Cb -0.70 0.22 -0.10 0.00 0.00 0.00 0.00 34.83 34.24 2x1w s MET 132 CO 0.48 -0.25 1.31 -2.14 0.00 0.00 0.00 175.02 174.42 2x1w s PRO 133 N -2.66 4.37 0.01 3.16 0.02 -1.26 -1.56 135.00 137.08 2x1w s PRO 133 Ca 0.11 2.16 0.01 0.00 0.02 0.00 0.00 61.00 63.30 2x1w s PRO 133 Cb 0.01 -3.11 -0.01 0.00 0.02 0.00 0.00 34.50 31.41 2x1w s PRO 133 CO -0.04 -0.20 -0.04 1.03 -0.33 0.00 0.00 177.00 177.42 2x1w s ARG 134 N -1.17 0.29 0.06 5.54 0.52 0.47 -4.86 118.95 119.80 2x1w s ARG 134 Ca 0.52 -0.34 -0.31 0.00 -0.52 0.00 0.00 55.73 55.08 2x1w s ARG 134 Cb -0.39 -0.15 -0.08 0.00 0.52 0.00 0.00 34.95 34.85 2x1w s ARG 134 CO 0.47 0.03 1.67 -1.21 0.02 0.00 0.00 175.30 176.28 2x1w s GLU 135 N -0.68 4.19 0.15 3.54 2.02 -1.26 0.13 118.70 126.79 2x1w s GLU 135 Ca -0.05 2.34 0.03 0.00 0.02 0.00 0.00 54.97 57.31 2x1w s GLU 135 Cb -0.05 -3.67 -0.05 0.00 0.10 0.00 0.00 34.13 30.47 2x1w s GLU 135 CO -0.00 -0.76 -0.05 0.14 0.02 0.00 0.00 175.26 174.61 2x1w s VAL 136 N 2.88 0.91 -0.38 2.63 -7.23 0.17 -4.93 120.40 114.45 2x1w s VAL 136 Ca 0.75 -2.01 -0.15 0.00 -1.81 0.00 0.00 61.98 58.76 2x1w s VAL 136 Cb -0.39 -1.95 0.01 0.00 0.56 0.00 0.00 36.38 34.60 2x1w s VAL 136 CO 0.33 -0.64 0.32 0.00 -0.31 0.00 0.00 175.10 174.79 2x1w s ALA 137 N -3.50 3.48 -0.19 1.32 0.00 -1.26 -2.47 121.76 119.14 2x1w s ALA 137 Ca 0.19 -1.52 -0.16 0.00 0.00 0.00 0.00 51.96 50.47 2x1w s ALA 137 Cb 0.05 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 2x1w s ALA 137 CO 0.01 -1.31 0.40 0.42 0.00 0.00 0.00 175.76 175.28 2x1w s ILE 138 N 1.83 5.20 -0.30 0.00 -1.09 -0.49 -4.90 121.20 121.46 2x1w s ILE 138 Ca 0.08 0.72 -0.29 0.00 -2.23 0.00 0.00 60.65 58.93 2x1w s ILE 138 Cb -0.18 -3.73 -0.00 0.00 -1.58 0.00 0.00 42.46 36.97 2x1w s ILE 138 CO 0.11 0.27 1.33 -0.62 -1.23 0.00 0.00 174.94 174.79 2x1w s ASP 139 N 0.96 6.64 0.07 3.58 3.68 -1.26 -1.53 116.67 128.82 2x1w s ASP 139 Ca 0.19 1.22 -0.31 0.00 2.13 0.00 0.00 52.55 55.78 2x1w s ASP 139 Cb -0.15 -2.54 -0.18 0.00 -1.45 0.00 0.00 42.92 38.61 2x1w s ASP 139 CO 0.08 -1.10 1.64 0.58 0.13 0.00 0.00 175.17 176.50 2x1w h VAL 140 N 5.99 0.44 -0.75 1.11 2.07 -1.27 -2.27 116.25 121.56 2x1w h VAL 140 Ca -0.27 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.42 2x1w h VAL 140 Cb 1.10 0.44 -0.12 0.00 -1.52 0.00 0.00 31.29 31.19 2x1w h VAL 140 CO 1.03 0.00 0.15 1.23 0.02 0.00 0.00 177.57 180.00 2x1w h GLY 141 N -0.75 1.01 1.30 2.17 0.00 -1.92 -2.22 103.07 102.66 2x1w h GLY 141 Ca -0.07 -0.01 -0.19 0.00 0.00 0.00 0.00 47.33 47.06 2x1w h GLY 141 CO 0.12 -0.23 -0.65 0.50 0.00 0.00 0.00 176.54 176.27 2x1w h LYS 142 N 0.23 0.71 -0.16 4.80 1.57 -1.83 0.29 116.57 122.19 2x1w h LYS 142 Ca 0.43 -0.51 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2x1w h LYS 142 Cb 0.75 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 2x1w h LYS 142 CO -0.55 1.13 0.11 1.49 -0.57 0.00 0.00 179.45 181.05 2x1w h GLU 143 N 0.52 0.13 -0.25 3.15 4.57 -0.80 -2.33 114.58 119.56 2x1w h GLU 143 Ca -0.01 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2x1w h GLU 143 Cb 1.24 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 2x1w h GLU 143 CO 0.13 0.09 0.00 1.19 -1.18 0.00 0.00 179.01 179.24 2x1w n PHE 144 N -4.51 0.48 -2.64 0.92 3.72 -1.13 -4.97 117.46 109.33 2x1w n PHE 144 Ca -0.00 -0.62 -0.18 0.00 -0.05 0.00 0.00 57.45 56.60 2x1w n PHE 144 Cb 0.14 -0.10 0.01 0.00 -0.94 0.00 0.00 39.48 38.59 2x1w n PHE 144 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2x1w n GLY 145 N 0.01 -0.34 3.74 1.37 0.00 -0.88 -4.93 105.19 104.16 2x1w n GLY 145 Ca 0.12 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2x1w n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x1w s VAL 146 N -2.99 3.32 0.24 1.61 1.01 0.99 -4.95 120.40 119.63 2x1w s VAL 146 Ca 0.14 1.09 -0.31 0.00 0.00 0.00 0.00 61.98 62.90 2x1w s VAL 146 Cb -0.06 -3.70 -0.14 0.00 0.00 0.00 0.00 36.38 32.48 2x1w s VAL 146 CO 0.17 0.16 1.31 0.00 0.00 0.00 0.00 175.10 176.75 2x1w n ALA 147 N 2.64 0.61 1.66 5.51 0.00 -1.26 -4.76 120.51 124.91 2x1w n ALA 147 Ca 0.06 0.42 0.03 0.00 0.00 0.00 0.00 53.44 53.95 2x1w n ALA 147 Cb 0.43 -2.20 0.14 0.00 0.00 0.00 0.00 19.45 17.83 2x1w n ALA 147 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2x1w n THR 148 N 1.56 0.14 0.24 0.00 5.66 -1.26 -2.32 114.28 118.30 2x1w n THR 148 Ca 0.12 -0.15 0.03 0.00 -3.05 0.00 0.00 64.05 61.00 2x1w n THR 148 Cb 0.30 0.05 0.17 0.00 -1.55 0.00 0.00 70.33 69.30 2x1w n THR 148 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2x1w n ASN 149 N -0.22 2.95 -3.77 1.09 6.94 -1.26 -4.76 115.26 116.24 2x1w n ASN 149 Ca 0.06 -2.37 -0.25 0.00 -0.02 0.00 0.00 54.58 52.00 2x1w n ASN 149 Cb 0.11 -0.55 -0.17 0.00 -2.36 0.00 0.00 39.78 36.81 2x1w n ASN 149 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2x1w s THR 150 N -1.75 0.50 -0.17 5.53 2.01 -0.98 -1.20 115.64 119.59 2x1w s THR 150 Ca 0.24 -0.23 -0.08 0.00 0.31 0.00 0.00 61.69 61.92 2x1w s THR 150 Cb 0.18 -0.81 -0.04 0.00 0.01 0.00 0.00 72.50 71.83 2x1w s THR 150 CO 0.08 0.05 0.09 -0.36 -0.69 0.00 0.00 174.62 173.79 2x1w s PHE 151 N 1.89 3.36 -0.15 4.92 2.99 0.12 -4.90 117.98 126.21 2x1w s PHE 151 Ca 0.02 0.25 -0.08 0.00 0.00 0.00 0.00 56.93 57.12 2x1w s PHE 151 Cb -0.15 -2.06 -0.04 0.00 0.00 0.00 0.00 43.02 40.77 2x1w s PHE 151 CO -0.07 0.32 0.14 -0.06 -0.00 0.00 0.00 175.22 175.56 2x1w s PHE 152 N 0.04 3.53 -0.20 0.36 0.08 -1.26 -0.45 117.98 120.07 2x1w s PHE 152 Ca 0.07 0.46 -0.00 0.00 0.12 0.00 0.00 56.93 57.58 2x1w s PHE 152 Cb -0.12 -2.04 0.05 0.00 -0.57 0.00 0.00 43.02 40.35 2x1w s PHE 152 CO 0.00 0.56 -0.04 0.15 -0.10 0.00 0.00 175.22 175.79 2x1w s LYS 153 N -0.47 1.39 0.66 0.44 -0.14 -0.06 -2.10 119.74 119.47 2x1w s LYS 153 Ca 0.12 -0.73 -0.13 0.00 -1.36 0.00 0.00 55.97 53.88 2x1w s LYS 153 Cb -0.12 -2.31 -0.00 0.00 -1.68 0.00 0.00 37.83 33.72 2x1w s LYS 153 CO 0.02 -0.55 1.07 -2.14 -0.76 0.00 0.00 175.35 172.99 2x1w s PRO 154 N 1.56 3.00 0.55 -1.68 0.02 -1.26 -0.87 135.00 136.31 2x1w s PRO 154 Ca -0.03 1.12 0.33 0.00 0.02 0.00 0.00 61.00 62.44 2x1w s PRO 154 Cb -0.17 -1.99 1.45 0.00 0.02 0.00 0.00 34.50 33.80 2x1w s PRO 154 CO -0.07 -1.06 2.02 -1.35 -0.33 0.00 0.00 177.00 176.21 2x1w h PRO 155 N -0.24 0.00 -5.13 5.54 0.11 -1.82 -3.45 132.00 127.01 2x1w h PRO 155 Ca -0.45 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.31 2x1w h PRO 155 Cb 1.22 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.16 2x1w h PRO 155 CO 0.56 0.04 -0.73 0.00 -0.21 0.00 0.00 178.00 177.66 2x1w s VAL 157 N -2.68 1.77 -0.28 0.00 -7.23 -0.58 -4.92 120.40 106.47 2x1w s VAL 157 Ca 0.11 -1.65 -0.20 0.00 -1.81 0.00 0.00 61.98 58.42 2x1w s VAL 157 Cb -0.01 -1.65 -0.01 0.00 0.56 0.00 0.00 36.38 35.26 2x1w s VAL 157 CO 0.01 -0.12 0.63 -0.55 -0.31 0.00 0.00 175.10 174.77 2x1w s SER 158 N -2.10 6.53 0.21 4.85 0.15 -1.26 -1.39 113.70 120.68 2x1w s SER 158 Ca 0.09 0.55 -0.00 0.00 0.70 0.00 0.00 55.95 57.29 2x1w s SER 158 Cb -0.09 -2.33 -0.04 0.00 -1.71 0.00 0.00 66.02 61.84 2x1w s SER 158 CO 0.05 -0.44 0.10 0.68 1.20 0.00 0.00 173.24 174.84 2x1w s VAL 159 N 2.57 0.20 -0.15 4.45 -7.23 -1.03 -4.99 120.40 114.22 2x1w s VAL 159 Ca 0.26 -1.99 -0.14 0.00 -1.81 0.00 0.00 61.98 58.30 2x1w s VAL 159 Cb -0.15 -2.46 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 2x1w s VAL 159 CO 0.10 -0.09 0.31 -0.31 -0.31 0.00 0.00 175.10 174.81 2x1w s TYR 160 N -4.01 3.48 0.04 2.82 1.51 -1.26 -0.65 117.35 119.28 2x1w s TYR 160 Ca 0.36 0.64 0.05 0.00 -1.01 0.00 0.00 57.07 57.10 2x1w s TYR 160 Cb 0.07 -2.34 -0.02 0.00 -0.11 0.00 0.00 41.96 39.56 2x1w s TYR 160 CO 0.11 0.27 -0.13 1.03 -1.11 0.00 0.00 175.55 175.71 2x1w s ARG 161 N 0.36 0.87 0.17 -0.62 1.81 0.12 -1.89 118.95 119.76 2x1w s ARG 161 Ca 0.18 -0.75 -0.31 0.00 -1.72 0.00 0.00 55.73 53.12 2x1w s ARG 161 Cb -0.13 -0.86 -0.11 0.00 -0.45 0.00 0.00 34.95 33.40 2x1w s ARG 161 CO 0.05 0.21 1.78 0.00 -0.68 0.00 0.00 175.30 176.65 2x1w s GLY 163 N 1.95 -0.17 0.00 0.00 0.00 -0.60 -4.90 107.32 103.61 2x1w s GLY 163 Ca 0.78 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 45.32 2x1w s GLY 163 CO 0.34 -0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.98 2x1w n GLY 164 N -0.44 0.50 3.29 0.20 0.00 -1.26 -1.63 105.19 105.85 2x1w n GLY 164 Ca -0.06 -2.19 -0.32 0.00 0.00 0.00 0.00 46.02 43.45 2x1w n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x1w n ASN 167 N -2.29 1.23 -4.58 0.00 3.02 -1.26 -4.85 115.26 106.52 2x1w n ASN 167 Ca 0.02 -1.02 -0.24 0.00 -0.03 0.00 0.00 54.58 53.31 2x1w n ASN 167 Cb 0.57 0.62 -0.09 0.00 -0.61 0.00 0.00 39.78 40.27 2x1w n ASN 167 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2x1w s SER 168 N -2.79 4.09 0.46 6.41 0.01 -1.26 -5.13 113.70 115.48 2x1w s SER 168 Ca 0.14 -0.91 -0.05 0.00 1.31 0.00 0.00 55.95 56.43 2x1w s SER 168 Cb 0.17 -0.54 -0.04 0.00 0.21 0.00 0.00 66.02 65.82 2x1w s SER 168 CO 0.71 -0.08 0.76 -1.61 0.41 0.00 0.00 173.24 173.43 2x1w s GLU 169 N -3.64 3.57 -0.22 12.44 2.02 -1.26 -3.78 118.70 127.83 2x1w s GLU 169 Ca 0.32 0.19 0.00 0.00 0.02 0.00 0.00 54.97 55.50 2x1w s GLU 169 Cb -0.03 -2.41 0.00 0.00 0.10 0.00 0.00 34.13 31.79 2x1w s GLU 169 CO 0.18 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.73 2x1w n GLY 170 N -2.06 0.32 3.23 -1.39 0.00 -1.26 -4.95 105.19 99.09 2x1w n GLY 170 Ca 0.00 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 2x1w n GLY 170 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2x1w s LEU 171 N -0.47 2.67 -0.05 0.99 2.96 -1.25 -3.48 118.68 120.05 2x1w s LEU 171 Ca 0.00 -0.53 0.07 0.00 -0.22 0.00 0.00 54.13 53.44 2x1w s LEU 171 Cb 0.00 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 45.03 2x1w s LEU 171 CO 0.00 -0.03 -0.25 -1.58 -1.32 0.00 0.00 176.35 173.17 2x1w s GLN 172 N 1.40 2.42 -0.32 1.98 0.74 0.17 -4.61 119.66 121.44 2x1w s GLN 172 Ca 0.05 -0.91 -0.28 0.00 0.05 0.00 0.00 55.36 54.27 2x1w s GLN 172 Cb -0.14 -2.13 -0.02 0.00 1.10 0.00 0.00 33.01 31.82 2x1w s GLN 172 CO -0.07 0.44 1.81 0.00 -0.55 0.00 0.00 175.29 176.92 2x1w s MET 174 N 5.62 1.36 0.18 0.00 -1.94 -0.84 -4.70 119.30 118.99 2x1w s MET 174 Ca 0.80 -1.61 -0.28 0.00 -1.71 0.00 0.00 55.69 52.89 2x1w s MET 174 Cb -0.23 -1.16 -0.08 0.00 2.01 0.00 0.00 34.83 35.37 2x1w s MET 174 CO 0.34 0.19 0.89 0.54 -0.01 0.00 0.00 175.02 176.97 2x1w s ASN 175 N -3.33 7.52 0.00 3.03 4.22 -1.26 -1.14 114.94 123.98 2x1w s ASN 175 Ca 0.23 1.81 0.10 0.00 -2.14 0.00 0.00 52.86 52.86 2x1w s ASN 175 Cb -0.01 -2.57 -0.09 0.00 1.28 0.00 0.00 41.25 39.87 2x1w s ASN 175 CO 0.08 0.11 0.47 0.35 -2.04 0.00 0.00 177.10 176.07 2x1w n THR 176 N 1.88 0.00 -3.63 0.54 -2.24 0.12 -4.91 114.28 106.04 2x1w n THR 176 Ca -0.02 -0.29 -0.14 0.00 -2.27 0.00 0.00 64.05 61.33 2x1w n THR 176 Cb 0.48 1.02 -0.07 0.00 -2.10 0.00 0.00 70.33 69.66 2x1w n THR 176 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2x1w s SER 177 N -1.83 -0.73 -0.04 3.42 1.04 -1.24 -4.99 113.70 109.32 2x1w s SER 177 Ca 0.05 1.41 0.02 0.00 0.48 0.00 0.00 55.95 57.90 2x1w s SER 177 Cb 0.08 1.42 0.01 0.00 0.10 0.00 0.00 66.02 67.63 2x1w s SER 177 CO 0.38 -0.25 -0.07 -0.89 0.98 0.00 0.00 173.24 173.39 2x1w s THR 178 N 0.35 0.71 0.45 2.02 2.01 -1.26 -1.71 115.64 118.21 2x1w s THR 178 Ca -0.00 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 61.75 2x1w s THR 178 Cb -0.05 -0.68 0.00 0.00 0.01 0.00 0.00 72.50 71.79 2x1w s THR 178 CO 0.01 0.25 0.67 -0.55 -0.69 0.00 0.00 174.62 174.31 2x1w s SER 179 N 0.59 5.76 -0.06 3.53 0.15 -0.79 -4.94 113.70 117.95 2x1w s SER 179 Ca -0.09 0.19 0.03 0.00 0.70 0.00 0.00 55.95 56.78 2x1w s SER 179 Cb -0.12 -1.40 0.00 0.00 -1.71 0.00 0.00 66.02 62.79 2x1w s SER 179 CO 0.01 -0.74 -0.15 -0.31 1.20 0.00 0.00 173.24 173.25 2x1w s TYR 180 N -2.55 1.60 -0.19 3.44 1.51 -1.26 -0.55 117.35 119.35 2x1w s TYR 180 Ca 0.49 -0.53 -0.05 0.00 -1.01 0.00 0.00 57.07 55.97 2x1w s TYR 180 Cb -0.10 -1.12 -0.02 0.00 -0.11 0.00 0.00 41.96 40.61 2x1w s TYR 180 CO 0.37 -0.23 -0.01 -0.51 -1.11 0.00 0.00 175.55 174.06 2x1w s LEU 181 N 0.35 3.22 -0.01 -1.29 1.43 -0.55 -4.92 118.68 116.91 2x1w s LEU 181 Ca -0.10 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.49 2x1w s LEU 181 Cb -0.14 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 2x1w s LEU 181 CO 0.03 0.07 1.12 -0.44 0.23 0.00 0.00 176.35 177.36 2x1w s SER 182 N 0.94 7.17 0.05 2.29 0.01 -1.26 -1.35 113.70 121.54 2x1w s SER 182 Ca 0.01 1.80 0.04 0.00 1.31 0.00 0.00 55.95 59.11 2x1w s SER 182 Cb -0.14 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.50 2x1w s SER 182 CO 0.02 -0.45 -0.11 -0.54 0.41 0.00 0.00 173.24 172.56 2x1w s LYS 183 N 1.53 0.73 -0.12 12.44 1.02 -0.33 -4.99 119.74 130.01 2x1w s LYS 183 Ca 0.55 -0.77 0.02 0.00 0.02 0.00 0.00 55.97 55.79 2x1w s LYS 183 Cb -0.24 -0.66 -0.00 0.00 -0.52 0.00 0.00 37.83 36.41 2x1w s LYS 183 CO 0.25 0.15 -0.20 0.99 -0.92 0.00 0.00 175.35 175.62 2x1w s THR 184 N -1.09 2.35 0.00 2.17 2.01 -1.26 -1.50 115.64 118.32 2x1w s THR 184 Ca -0.03 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.06 2x1w s THR 184 Cb -0.09 -1.94 0.00 0.00 0.01 0.00 0.00 72.50 70.48 2x1w s THR 184 CO 0.01 0.54 0.00 0.00 -0.69 0.00 0.00 174.62 174.49 2x1w n LEU 185 N 3.69 0.00 -4.62 4.42 -0.00 -0.89 -4.98 117.00 114.61 2x1w n LEU 185 Ca -0.19 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.52 2x1w n LEU 185 Cb 0.53 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.85 2x1w n LEU 185 CO 0.28 0.00 -0.38 -0.36 -0.00 0.00 0.00 177.39 176.93 2x1w s PHE 186 N -2.46 2.86 -0.15 1.47 0.08 -0.05 -0.72 117.98 119.02 2x1w s PHE 186 Ca 0.00 -0.09 0.00 0.00 0.12 0.00 0.00 56.93 56.96 2x1w s PHE 186 Cb 0.00 -1.50 0.03 0.00 -0.57 0.00 0.00 43.02 40.98 2x1w s PHE 186 CO 0.00 0.44 -0.10 -2.00 -0.10 0.00 0.00 175.22 173.46 2x1w s GLU 187 N -2.13 1.87 -0.07 0.44 2.12 -0.12 -0.88 118.70 119.93 2x1w s GLU 187 Ca 0.22 -0.48 -0.07 0.00 0.36 0.00 0.00 54.97 55.00 2x1w s GLU 187 Cb -0.11 -1.95 -0.04 0.00 0.26 0.00 0.00 34.13 32.28 2x1w s GLU 187 CO 0.15 -0.30 0.20 0.42 -0.54 0.00 0.00 175.26 175.18 2x1w s ILE 188 N 1.57 5.41 -0.25 -3.70 1.01 0.40 -2.19 121.20 123.45 2x1w s ILE 188 Ca 0.04 0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.92 2x1w s ILE 188 Cb -0.13 -3.49 0.06 0.00 0.01 0.00 0.00 42.46 38.91 2x1w s ILE 188 CO -0.09 0.52 -0.08 -0.89 0.00 0.00 0.00 174.94 174.40 2x1w s THR 189 N -1.13 1.85 -0.13 2.92 2.01 -1.26 0.11 115.64 120.01 2x1w s THR 189 Ca 0.20 -1.42 -0.12 0.00 0.31 0.00 0.00 61.69 60.66 2x1w s THR 189 Cb -0.13 -2.03 -0.05 0.00 0.01 0.00 0.00 72.50 70.31 2x1w s THR 189 CO 0.09 -0.06 0.26 -0.69 -0.69 0.00 0.00 174.62 173.54 2x1w s VAL 190 N 1.25 5.31 0.03 3.82 1.01 -0.34 -3.43 120.40 128.05 2x1w s VAL 190 Ca -0.07 0.49 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 2x1w s VAL 190 Cb -0.19 -3.58 -0.07 0.00 0.00 0.00 0.00 36.38 32.54 2x1w s VAL 190 CO -0.06 0.48 1.52 -2.84 0.00 0.00 0.00 175.10 174.20 2x1w s PRO 191 N -0.14 4.24 -0.36 2.72 0.02 -1.26 -4.58 135.00 135.64 2x1w s PRO 191 Ca 0.17 2.13 -0.16 0.00 0.02 0.00 0.00 61.00 63.15 2x1w s PRO 191 Cb -0.13 -3.60 -0.09 0.00 0.02 0.00 0.00 34.50 30.69 2x1w s PRO 191 CO 0.05 -0.66 1.11 1.28 -0.33 0.00 0.00 177.00 178.45 2x1w n LEU 192 N 5.55 0.22 -0.09 -5.54 4.32 -1.22 -4.80 117.00 115.45 2x1w n LEU 192 Ca 0.14 0.18 -0.10 0.00 -0.02 0.00 0.00 56.01 56.21 2x1w n LEU 192 Cb 0.42 -0.41 -0.12 0.00 -1.62 0.00 0.00 43.42 41.69 2x1w n LEU 192 CO 0.60 -0.33 -1.07 -1.20 -1.22 0.00 0.00 177.39 174.17 2x1w n SER 193 N 4.16 1.47 -3.25 -1.43 7.64 -1.23 -5.05 113.62 115.93 2x1w n SER 193 Ca 0.28 -0.04 -0.13 0.00 1.01 0.00 0.00 58.87 59.99 2x1w n SER 193 Cb 0.00 0.50 -0.03 0.00 -1.01 0.00 0.00 64.21 63.68 2x1w n SER 193 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2x1w s GLN 194 N -2.40 1.95 0.07 1.43 -0.21 -1.26 -5.15 119.66 114.09 2x1w s GLN 194 Ca -0.14 -1.63 -0.01 0.00 0.02 0.00 0.00 55.36 53.60 2x1w s GLN 194 Cb 0.06 0.49 0.02 0.00 1.00 0.00 0.00 33.01 34.57 2x1w s GLN 194 CO 0.60 -0.84 0.08 0.41 -2.12 0.00 0.00 175.29 173.43 2x1w n GLY 195 N -0.54 -1.51 3.71 3.09 0.00 -1.26 -4.71 105.19 103.98 2x1w n GLY 195 Ca -0.02 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 2x1w n GLY 195 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2x1w s PRO 196 N -3.18 4.40 0.02 1.61 0.02 -1.26 -4.77 135.00 131.85 2x1w s PRO 196 Ca 0.05 1.82 0.04 0.00 0.02 0.00 0.00 61.00 62.93 2x1w s PRO 196 Cb -0.00 -3.35 -0.03 0.00 0.02 0.00 0.00 34.50 31.13 2x1w s PRO 196 CO 0.03 -0.31 -0.06 -1.59 -0.33 0.00 0.00 177.00 174.74 2x1w s LYS 197 N 1.18 2.51 0.12 5.54 -2.85 -0.93 -4.83 119.74 120.48 2x1w s LYS 197 Ca 0.60 -0.76 -0.30 0.00 -1.00 0.00 0.00 55.97 54.50 2x1w s LYS 197 Cb -0.31 -2.49 -0.07 0.00 -2.06 0.00 0.00 37.83 32.91 2x1w s LYS 197 CO 0.29 0.59 1.23 -2.14 0.10 0.00 0.00 175.35 175.41 2x1w s PRO 198 N -1.57 4.44 -0.01 1.78 0.02 -1.26 -0.95 135.00 137.46 2x1w s PRO 198 Ca 0.18 1.86 0.05 0.00 0.02 0.00 0.00 61.00 63.11 2x1w s PRO 198 Cb -0.11 -3.29 -0.01 0.00 0.02 0.00 0.00 34.50 31.11 2x1w s PRO 198 CO 0.09 -0.21 -0.16 0.14 -0.33 0.00 0.00 177.00 176.53 2x1w s VAL 199 N 0.61 1.25 -0.20 3.83 -7.23 0.10 -4.94 120.40 113.82 2x1w s VAL 199 Ca 0.57 -0.72 -0.08 0.00 -1.81 0.00 0.00 61.98 59.94 2x1w s VAL 199 Cb -0.32 -1.05 -0.04 0.00 0.56 0.00 0.00 36.38 35.53 2x1w s VAL 199 CO 0.32 0.32 0.08 -0.89 -0.31 0.00 0.00 175.10 174.61 2x1w s THR 200 N -0.43 4.76 0.02 5.32 2.01 -1.26 -2.10 115.64 123.97 2x1w s THR 200 Ca 0.06 -0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.05 2x1w s THR 200 Cb -0.06 -3.17 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 2x1w s THR 200 CO -0.00 0.42 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.63 2x1w s ILE 201 N 0.69 0.64 -0.21 1.82 1.01 -0.56 -4.98 121.20 119.61 2x1w s ILE 201 Ca 0.04 -0.68 -0.08 0.00 0.00 0.00 0.00 60.65 59.93 2x1w s ILE 201 Cb -0.13 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 2x1w s ILE 201 CO 0.02 -0.05 0.10 -0.44 0.00 0.00 0.00 174.94 174.56 2x1w s SER 202 N -0.80 5.71 -0.00 3.58 0.01 -1.26 -1.19 113.70 119.75 2x1w s SER 202 Ca -0.02 0.04 0.05 0.00 1.31 0.00 0.00 55.95 57.34 2x1w s SER 202 Cb -0.06 -2.01 -0.03 0.00 0.21 0.00 0.00 66.02 64.14 2x1w s SER 202 CO 0.00 0.10 -0.14 -0.36 0.41 0.00 0.00 173.24 173.25 2x1w s PHE 203 N 0.81 2.69 0.23 2.43 0.08 -0.46 -4.90 117.98 118.86 2x1w s PHE 203 Ca 0.05 -0.17 -0.30 0.00 0.12 0.00 0.00 56.93 56.63 2x1w s PHE 203 Cb -0.13 -1.56 -0.10 0.00 -0.57 0.00 0.00 43.02 40.66 2x1w s PHE 203 CO 0.02 0.25 1.46 0.00 -0.10 0.00 0.00 175.22 176.86 2x1w s ALA 204 N -0.87 3.65 -0.45 5.36 0.00 -1.26 -1.47 121.76 126.71 2x1w s ALA 204 Ca 0.14 1.33 0.03 0.00 0.00 0.00 0.00 51.96 53.46 2x1w s ALA 204 Cb -0.11 -3.57 0.13 0.00 0.00 0.00 0.00 23.12 19.57 2x1w s ALA 204 CO 0.04 -0.74 0.21 1.21 0.00 0.00 0.00 175.76 176.48 2x1w s ASN 205 N 0.52 4.16 0.24 0.00 2.47 0.28 -4.68 114.94 117.92 2x1w s ASN 205 Ca 0.61 -2.68 -0.31 0.00 0.42 0.00 0.00 52.86 50.90 2x1w s ASN 205 Cb -0.42 -1.40 -0.13 0.00 -1.45 0.00 0.00 41.25 37.85 2x1w s ASN 205 CO 0.41 -0.28 1.58 1.41 -3.72 0.00 0.00 177.10 176.50 2x1w n HIS 206 N 3.53 2.57 0.24 0.43 8.25 -0.79 -1.89 115.22 127.56 2x1w n HIS 206 Ca 0.05 0.24 0.02 0.00 -0.26 0.00 0.00 57.72 57.78 2x1w n HIS 206 Cb 0.35 -2.58 -0.03 0.00 1.12 0.00 0.00 29.99 28.86 2x1w n HIS 206 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2x1w n THR 207 N 2.76 0.00 -3.60 1.59 -2.24 -0.70 -4.70 114.28 107.39 2x1w n THR 207 Ca 0.13 -0.38 -0.16 0.00 -2.27 0.00 0.00 64.05 61.37 2x1w n THR 207 Cb 0.34 1.00 -0.07 0.00 -2.10 0.00 0.00 70.33 69.50 2x1w n THR 207 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2x1w s SER 208 N -1.46 -0.64 0.08 3.42 1.04 -1.23 -4.94 113.70 109.98 2x1w s SER 208 Ca 0.02 0.97 0.02 0.00 0.48 0.00 0.00 55.95 57.45 2x1w s SER 208 Cb 0.04 0.91 -0.04 0.00 0.10 0.00 0.00 66.02 67.04 2x1w s SER 208 CO 0.21 -0.42 -0.08 0.00 0.98 0.00 0.00 173.24 173.93 2x1w s ARG 210 N -2.93 0.41 -0.27 0.00 3.52 -0.29 -4.86 118.95 114.53 2x1w s ARG 210 Ca 0.04 0.41 -0.29 0.00 -0.13 0.00 0.00 55.73 55.76 2x1w s ARG 210 Cb -0.01 0.20 -0.02 0.00 -1.56 0.00 0.00 34.95 33.55 2x1w s ARG 210 CO -0.02 -0.06 1.70 0.00 -0.81 0.00 0.00 175.30 176.11 2x1w s MET 212 N 5.11 1.29 0.78 0.00 1.00 -0.69 -4.85 119.30 121.94 2x1w s MET 212 Ca 0.75 -1.51 -0.06 0.00 0.00 0.00 0.00 55.69 54.87 2x1w s MET 212 Cb -0.24 -1.18 0.13 0.00 0.00 0.00 0.00 34.83 33.54 2x1w s MET 212 CO 0.32 0.21 1.08 -1.54 0.00 0.00 0.00 175.02 175.09 2x1w s SER 213 N -3.06 4.16 0.00 3.03 1.04 -1.26 0.46 113.70 118.06 2x1w s SER 213 Ca 0.20 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.67 2x1w s SER 213 Cb -0.03 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.68 2x1w s SER 213 CO 0.07 -2.01 0.00 1.17 0.98 0.00 0.00 173.24 173.44