#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x1w h GLU 117 N 0.00 0.45 -0.14 -2.82 3.07 -2.06 0.36 114.58 113.44 2x1w h GLU 117 Ca 0.00 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 58.72 2x1w h GLU 117 Cb 0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 27.81 2x1w h GLU 117 CO 0.00 0.30 -0.35 0.97 -1.40 0.00 0.00 179.01 178.53 2x1w h ILE 118 N 0.46 1.37 -0.61 3.13 2.10 -2.06 -3.13 117.51 118.78 2x1w h ILE 118 Ca 0.32 -1.64 0.05 0.00 1.08 0.00 0.00 64.86 64.67 2x1w h ILE 118 Cb 0.62 2.06 -0.04 0.00 -1.09 0.00 0.00 36.82 38.37 2x1w h ILE 118 CO -0.10 0.49 0.40 -0.07 -1.08 0.00 0.00 178.15 177.79 2x1w h LEU 119 N 0.09 0.57 0.17 2.19 -0.00 -1.42 -2.33 115.31 114.59 2x1w h LEU 119 Ca -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2x1w h LEU 119 Cb 0.96 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.48 2x1w h LEU 119 CO 0.08 0.38 -0.17 0.11 -0.00 0.00 0.00 178.44 178.84 2x1w h LYS 120 N 0.66 -0.36 -0.34 1.13 1.57 -0.33 -2.28 116.57 116.61 2x1w h LYS 120 Ca 0.25 0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.97 2x1w h LYS 120 Cb 0.17 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2x1w h LYS 120 CO -0.07 -0.24 -0.14 0.66 -0.57 0.00 0.00 179.45 179.09 2x1w h SER 121 N -0.37 0.71 -0.46 0.86 4.64 -1.50 -2.53 113.55 114.91 2x1w h SER 121 Ca 0.00 -0.39 0.07 0.00 -0.47 0.00 0.00 61.79 61.00 2x1w h SER 121 Cb 0.35 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 62.18 2x1w h SER 121 CO -0.04 0.95 0.12 0.40 -0.87 0.00 0.00 176.83 177.39 2x1w h ILE 122 N 0.48 0.79 -0.59 0.95 2.04 -1.37 0.19 117.51 119.99 2x1w h ILE 122 Ca 0.08 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.87 2x1w h ILE 122 Cb 0.67 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 2x1w h ILE 122 CO 0.04 0.05 0.39 -0.78 0.00 0.00 0.00 178.15 177.86 2x1w h ASP 123 N 0.27 0.62 -0.26 1.72 1.82 -1.35 -1.40 116.42 117.84 2x1w h ASP 123 Ca 0.22 -0.01 -0.10 0.00 -0.39 0.00 0.00 57.03 56.76 2x1w h ASP 123 Cb 0.26 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.11 2x1w h ASP 123 CO -0.27 0.43 -0.16 -1.13 -1.61 0.00 0.00 179.24 176.50 2x1w h ASN 124 N 0.72 0.69 -0.43 2.28 -1.24 -0.36 -1.63 115.58 115.62 2x1w h ASN 124 Ca 0.23 -0.22 -0.05 0.00 0.71 0.00 0.00 56.30 56.98 2x1w h ASN 124 Cb 0.04 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 38.88 2x1w h ASN 124 CO -0.06 0.86 0.09 -0.33 -1.29 0.00 0.00 177.43 176.70 2x1w h GLU 125 N 0.62 0.70 0.21 6.67 4.39 0.22 -1.98 114.58 125.42 2x1w h GLU 125 Ca 0.10 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 2x1w h GLU 125 Cb 0.62 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 2x1w h GLU 125 CO 0.04 0.72 -0.14 -1.49 -1.16 0.00 0.00 179.01 176.98 2x1w h TRP 126 N 0.57 -0.37 -0.50 4.33 6.55 -1.20 -2.49 115.95 122.84 2x1w h TRP 126 Ca 0.13 -0.00 0.06 0.00 0.95 0.00 0.00 58.89 60.04 2x1w h TRP 126 Cb 0.35 0.14 -0.06 0.00 -0.86 0.00 0.00 29.16 28.73 2x1w h TRP 126 CO 0.02 -0.22 0.19 -0.09 -1.05 0.00 0.00 178.44 177.29 2x1w h ARG 127 N -0.35 0.36 0.00 0.49 2.43 -1.22 -1.55 114.38 114.55 2x1w h ARG 127 Ca -0.02 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2x1w h ARG 127 Cb 0.30 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2x1w h ARG 127 CO 0.01 0.24 -0.07 0.87 -1.51 0.00 0.00 179.97 179.51 2x1w h LYS 128 N 0.37 0.00 -0.35 0.20 1.57 -1.32 -3.21 116.57 113.84 2x1w h LYS 128 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2x1w h LYS 128 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2x1w h LYS 128 CO -0.23 0.07 0.00 0.25 -0.57 0.00 0.00 179.45 178.97 2x1w n THR 129 N -3.21 0.84 -1.80 -0.16 -2.24 -0.63 -5.02 114.28 102.05 2x1w n THR 129 Ca 0.00 -0.92 -0.33 0.00 -2.27 0.00 0.00 64.05 60.53 2x1w n THR 129 Cb 0.33 0.63 0.04 0.00 -2.10 0.00 0.00 70.33 69.22 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 2.88 0.01 -0.78 -2.07 -0.90 -0.19 119.66 117.59 2x1w s GLN 130 Ca 0.26 1.35 -0.33 0.00 -1.82 0.00 0.00 55.36 54.81 2x1w s GLN 130 Cb 0.14 -1.96 -0.12 0.00 -1.09 0.00 0.00 33.01 29.98 2x1w s GLN 130 CO 0.19 -1.18 1.80 0.00 -1.32 0.00 0.00 175.29 174.78 2x1w s MET 132 N 3.10 0.53 0.27 0.00 0.00 -0.70 -4.87 119.30 117.64 2x1w s MET 132 Ca 0.88 -0.25 -0.29 0.00 0.00 0.00 0.00 55.69 56.02 2x1w s MET 132 Cb -0.65 0.21 -0.10 0.00 0.00 0.00 0.00 34.83 34.29 2x1w s MET 132 CO 0.46 -0.24 1.35 -2.14 0.00 0.00 0.00 175.02 174.44 2x1w s PRO 133 N -2.64 4.34 0.01 3.16 0.02 -1.26 -1.54 135.00 137.09 2x1w s PRO 133 Ca 0.11 2.20 0.01 0.00 0.02 0.00 0.00 61.00 63.34 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 -0.27 -0.04 1.03 -0.33 0.00 0.00 177.00 177.35 2x1w s ARG 134 N -0.96 0.34 0.06 5.54 0.52 0.46 -4.86 118.95 120.05 2x1w s ARG 134 Ca 0.54 -0.32 -0.31 0.00 -0.52 0.00 0.00 55.73 55.13 2x1w s ARG 134 Cb -0.40 -0.23 -0.08 0.00 0.52 0.00 0.00 34.95 34.76 2x1w s ARG 134 CO 0.46 0.05 1.69 -1.21 0.02 0.00 0.00 175.30 176.32 2x1w s GLU 135 N -0.56 4.19 0.16 3.54 2.02 -1.26 0.22 118.70 127.00 2x1w s GLU 135 Ca -0.03 2.36 0.03 0.00 0.02 0.00 0.00 54.97 57.35 2x1w s GLU 135 Cb -0.04 -3.67 -0.05 0.00 0.10 0.00 0.00 34.13 30.47 2x1w s GLU 135 CO -0.00 -0.77 -0.03 0.14 0.02 0.00 0.00 175.26 174.62 2x1w s VAL 136 N 2.90 0.82 -0.38 2.63 -7.23 0.36 -4.92 120.40 114.57 2x1w s VAL 136 Ca 0.75 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.79 2x1w s VAL 136 Cb -0.40 -2.03 0.01 0.00 0.56 0.00 0.00 36.38 34.52 2x1w s VAL 136 CO 0.33 -0.57 0.27 0.00 -0.31 0.00 0.00 175.10 174.82 2x1w s ALA 137 N -3.56 3.46 -0.18 1.32 0.00 -1.26 -2.43 121.76 119.12 2x1w s ALA 137 Ca 0.21 -1.60 -0.15 0.00 0.00 0.00 0.00 51.96 50.43 2x1w s ALA 137 Cb 0.05 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 2x1w s ALA 137 CO 0.03 -1.27 0.35 0.42 0.00 0.00 0.00 175.76 175.29 2x1w s ILE 138 N 1.68 5.25 -0.33 0.00 -1.09 -0.43 -4.90 121.20 121.39 2x1w s ILE 138 Ca 0.05 0.64 -0.29 0.00 -2.23 0.00 0.00 60.65 58.82 2x1w s ILE 138 Cb -0.18 -3.69 0.01 0.00 -1.58 0.00 0.00 42.46 37.02 2x1w s ILE 138 CO 0.10 0.32 1.25 -0.62 -1.23 0.00 0.00 174.94 174.75 2x1w s ASP 139 N 0.77 6.70 0.07 3.58 3.68 -1.26 -1.43 116.67 128.79 2x1w s ASP 139 Ca 0.18 1.06 -0.32 0.00 2.13 0.00 0.00 52.55 55.60 2x1w s ASP 139 Cb -0.14 -2.54 -0.18 0.00 -1.45 0.00 0.00 42.92 38.61 2x1w s ASP 139 CO 0.06 -1.09 1.63 0.58 0.13 0.00 0.00 175.17 176.49 2x1w h VAL 140 N 5.98 0.35 -0.76 1.11 2.07 -1.28 -2.82 116.25 120.90 2x1w h VAL 140 Ca -0.25 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.45 2x1w h VAL 140 Cb 1.09 0.35 -0.13 0.00 -1.52 0.00 0.00 31.29 31.08 2x1w h VAL 140 CO 1.05 0.00 0.09 1.23 0.02 0.00 0.00 177.57 179.96 2x1w h GLY 141 N -0.86 0.97 2.00 2.17 0.00 -1.92 0.21 103.07 105.64 2x1w h GLY 141 Ca -0.08 0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 2x1w h GLY 141 CO 0.12 -0.27 -0.25 0.50 0.00 0.00 0.00 176.54 176.63 2x1w h LYS 142 N 0.17 0.00 -3.74 4.80 1.57 -1.90 -3.29 116.57 114.18 2x1w h LYS 142 Ca 0.43 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.80 2x1w h LYS 142 Cb 0.78 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.11 2x1w h LYS 142 CO -0.61 0.25 2.40 0.39 -0.57 0.00 0.00 179.45 181.32 2x1w n GLU 143 N -3.58 1.77 -1.63 3.15 1.02 0.06 -4.83 120.64 116.59 2x1w n GLU 143 Ca -0.01 -1.47 0.00 0.00 -0.02 0.00 0.00 57.16 55.66 2x1w n GLU 143 Cb 0.39 -2.53 0.00 0.00 -0.02 0.00 0.00 31.44 29.29 2x1w n GLU 143 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2x1w n PHE 144 N 5.08 -3.84 -1.19 -0.32 7.35 -1.24 -4.80 117.46 118.50 2x1w n PHE 144 Ca 0.42 2.04 -0.04 0.00 -0.76 0.00 0.00 57.45 59.12 2x1w n PHE 144 Cb 0.19 -3.09 -0.01 0.00 0.35 0.00 0.00 39.48 36.91 2x1w n PHE 144 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2x1w n GLY 145 N -0.69 0.63 3.73 7.13 0.00 -1.26 -5.01 105.19 109.72 2x1w n GLY 145 Ca 0.00 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.14 4.91 0.16 1.61 1.01 -1.26 -5.01 120.40 119.68 2x1w s VAL 146 Ca 0.00 1.49 -0.32 0.00 0.00 0.00 0.00 61.98 63.15 2x1w s VAL 146 Cb 0.00 -4.05 -0.10 0.00 0.00 0.00 0.00 36.38 32.22 2x1w s VAL 146 CO 0.00 0.32 1.66 0.00 0.00 0.00 0.00 175.10 177.08 2x1w s ALA 147 N 0.34 3.82 0.13 5.51 0.00 -1.26 -4.85 121.76 125.44 2x1w s ALA 147 Ca 0.37 1.43 0.19 0.00 0.00 0.00 0.00 51.96 53.95 2x1w s ALA 147 Cb -0.19 -3.67 1.04 0.00 0.00 0.00 0.00 23.12 20.30 2x1w s ALA 147 CO 0.20 -0.92 1.52 1.79 0.00 0.00 0.00 175.76 178.36 2x1w h THR 148 N 4.12 0.00 -0.60 0.00 1.35 -2.02 -0.24 112.91 115.52 2x1w h THR 148 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 2x1w h THR 148 Cb 1.20 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 2x1w h THR 148 CO 0.93 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.74 2x1w n ASN 149 N -2.29 4.64 -4.52 5.36 6.94 -1.26 -4.96 115.26 119.18 2x1w n ASN 149 Ca -0.01 -2.49 -0.33 0.00 -0.02 0.00 0.00 54.58 51.73 2x1w n ASN 149 Cb 0.27 -0.56 -0.12 0.00 -2.36 0.00 0.00 39.78 37.01 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 -1.91 3.53 -0.10 5.53 2.01 -0.10 -1.97 115.64 122.63 2x1w s THR 150 Ca 0.49 -0.53 -0.03 0.00 0.31 0.00 0.00 61.69 61.94 2x1w s THR 150 Cb 0.32 -2.46 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 2x1w s THR 150 CO 0.23 0.57 0.02 -0.36 -0.69 0.00 0.00 174.62 174.38 2x1w s PHE 151 N -0.42 3.20 -0.13 4.92 2.99 0.16 -4.94 117.98 123.76 2x1w s PHE 151 Ca 0.06 0.19 -0.07 0.00 0.00 0.00 0.00 56.93 57.11 2x1w s PHE 151 Cb -0.12 -1.83 -0.04 0.00 0.00 0.00 0.00 43.02 41.03 2x1w s PHE 151 CO 0.02 0.45 0.13 -0.06 -0.00 0.00 0.00 175.22 175.76 2x1w s PHE 152 N -0.76 3.52 -0.18 0.36 0.08 -1.26 -0.52 117.98 119.22 2x1w s PHE 152 Ca 0.12 0.46 -0.00 0.00 0.12 0.00 0.00 56.93 57.62 2x1w s PHE 152 Cb -0.12 -1.97 0.05 0.00 -0.57 0.00 0.00 43.02 40.41 2x1w s PHE 152 CO 0.02 0.62 -0.05 0.15 -0.10 0.00 0.00 175.22 175.87 2x1w s LYS 153 N -0.73 1.46 0.70 0.44 -0.14 0.03 -2.35 119.74 119.14 2x1w s LYS 153 Ca 0.13 -0.63 -0.12 0.00 -1.36 0.00 0.00 55.97 53.99 2x1w s LYS 153 Cb -0.12 -2.17 0.02 0.00 -1.68 0.00 0.00 37.83 33.88 2x1w s LYS 153 CO 0.03 -0.48 1.07 -2.14 -0.76 0.00 0.00 175.35 173.07 2x1w s PRO 154 N 1.58 2.78 0.50 -1.68 0.02 -1.26 -0.76 135.00 136.18 2x1w s PRO 154 Ca -0.01 1.07 0.28 0.00 0.02 0.00 0.00 61.00 62.37 2x1w s PRO 154 Cb -0.16 -1.97 1.26 0.00 0.02 0.00 0.00 34.50 33.65 2x1w s PRO 154 CO -0.07 -1.23 1.96 -1.35 -0.33 0.00 0.00 177.00 175.98 2x1w h PRO 155 N -0.65 0.00 -5.32 5.54 0.11 -1.86 -3.45 132.00 126.36 2x1w h PRO 155 Ca -0.44 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.28 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 0.55 0.13 -0.74 0.00 -0.21 0.00 0.00 178.00 177.73 2x1w s VAL 157 N -2.60 1.68 -0.31 0.00 -7.23 -0.51 -4.92 120.40 106.52 2x1w s VAL 157 Ca 0.13 -1.52 -0.21 0.00 -1.81 0.00 0.00 61.98 58.57 2x1w s VAL 157 Cb -0.02 -1.53 -0.01 0.00 0.56 0.00 0.00 36.38 35.38 2x1w s VAL 157 CO 0.03 -0.06 0.66 -0.55 -0.31 0.00 0.00 175.10 174.87 2x1w s SER 158 N -1.88 6.53 0.20 4.85 0.15 -1.26 -1.31 113.70 120.98 2x1w s SER 158 Ca 0.06 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.18 2x1w s SER 158 Cb -0.10 -2.34 -0.04 0.00 -1.71 0.00 0.00 66.02 61.82 2x1w s SER 158 CO 0.04 -0.51 0.09 0.68 1.20 0.00 0.00 173.24 174.74 2x1w s VAL 159 N 2.68 0.29 -0.15 4.45 -7.23 -1.02 -4.99 120.40 114.44 2x1w s VAL 159 Ca 0.27 -1.98 -0.15 0.00 -1.81 0.00 0.00 61.98 58.31 2x1w s VAL 159 Cb -0.15 -2.40 -0.05 0.00 0.56 0.00 0.00 36.38 34.35 2x1w s VAL 159 CO 0.12 -0.16 0.34 -0.31 -0.31 0.00 0.00 175.10 174.78 2x1w s TYR 160 N -3.94 3.48 0.04 2.82 1.51 -1.26 -0.49 117.35 119.51 2x1w s TYR 160 Ca 0.34 0.68 0.05 0.00 -1.01 0.00 0.00 57.07 57.12 2x1w s TYR 160 Cb 0.07 -2.39 -0.02 0.00 -0.11 0.00 0.00 41.96 39.51 2x1w s TYR 160 CO 0.09 0.23 -0.14 1.03 -1.11 0.00 0.00 175.55 175.66 2x1w s ARG 161 N 0.46 0.92 0.14 -0.62 1.81 0.13 -1.82 118.95 119.97 2x1w s ARG 161 Ca 0.19 -0.77 -0.32 0.00 -1.72 0.00 0.00 55.73 53.11 2x1w s ARG 161 Cb -0.14 -0.93 -0.11 0.00 -0.45 0.00 0.00 34.95 33.32 2x1w s ARG 161 CO 0.06 0.23 1.80 0.00 -0.68 0.00 0.00 175.30 176.70 2x1w s GLY 163 N 2.32 -0.26 0.00 0.00 0.00 -0.59 -4.89 107.32 103.90 2x1w s GLY 163 Ca 0.81 -0.03 0.00 0.00 0.00 0.00 0.00 44.72 45.50 2x1w s GLY 163 CO 0.37 -0.05 0.00 0.61 0.00 0.00 0.00 173.10 174.03 2x1w n GLY 164 N -0.41 0.68 3.33 0.20 0.00 -1.26 -1.72 105.19 106.02 2x1w n GLY 164 Ca -0.10 -2.12 -0.32 0.00 0.00 0.00 0.00 46.02 43.48 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 -2.27 1.41 -4.60 0.00 3.02 -1.26 -4.85 115.26 106.71 2x1w n ASN 167 Ca 0.01 -1.12 -0.24 0.00 -0.03 0.00 0.00 54.58 53.19 2x1w n ASN 167 Cb 0.55 0.47 -0.09 0.00 -0.61 0.00 0.00 39.78 40.11 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 -2.64 4.10 0.50 6.41 0.01 -1.26 -5.15 113.70 115.67 2x1w s SER 168 Ca 0.17 -0.97 -0.03 0.00 1.31 0.00 0.00 55.95 56.43 2x1w s SER 168 Cb 0.18 -0.52 -0.01 0.00 0.21 0.00 0.00 66.02 65.88 2x1w s SER 168 CO 0.63 -0.15 0.77 -1.61 0.41 0.00 0.00 173.24 173.29 2x1w s GLU 169 N -3.67 3.16 0.00 12.44 2.02 -1.26 -3.93 118.70 127.46 2x1w s GLU 169 Ca 0.33 -0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.19 2x1w s GLU 169 Cb -0.02 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.80 2x1w s GLU 169 CO 0.18 -0.38 0.00 0.41 0.02 0.00 0.00 175.26 175.49 2x1w n GLY 170 N -2.29 1.92 3.75 -1.39 0.00 -1.26 -4.95 105.19 100.98 2x1w n GLY 170 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2x1w n GLY 170 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x1w s LEU 171 N 0.00 4.17 -0.02 0.99 1.02 -1.25 -4.50 118.68 119.08 2x1w s LEU 171 Ca 0.00 0.27 0.03 0.00 0.02 0.00 0.00 54.13 54.45 2x1w s LEU 171 Cb 0.00 -2.05 -0.00 0.00 0.02 0.00 0.00 46.19 44.16 2x1w s LEU 171 CO 0.00 0.25 -0.10 -1.58 0.02 0.00 0.00 176.35 174.95 2x1w s GLN 172 N -0.09 0.96 -0.33 1.70 0.74 0.11 -4.69 119.66 118.07 2x1w s GLN 172 Ca 0.09 -0.34 -0.29 0.00 0.05 0.00 0.00 55.36 54.88 2x1w s GLN 172 Cb -0.12 -0.90 -0.01 0.00 1.10 0.00 0.00 33.01 33.08 2x1w s GLN 172 CO 0.00 0.15 1.71 0.00 -0.55 0.00 0.00 175.29 176.60 2x1w s MET 174 N 5.41 1.36 0.22 0.00 -1.94 -0.86 -4.69 119.30 118.80 2x1w s MET 174 Ca 0.76 -1.59 -0.30 0.00 -1.71 0.00 0.00 55.69 52.85 2x1w s MET 174 Cb -0.21 -1.20 -0.09 0.00 2.01 0.00 0.00 34.83 35.34 2x1w s MET 174 CO 0.33 0.21 0.93 0.54 -0.01 0.00 0.00 175.02 177.01 2x1w s ASN 175 N -3.28 7.61 0.00 3.03 4.22 -1.26 -1.10 114.94 124.17 2x1w s ASN 175 Ca 0.23 1.91 0.09 0.00 -2.14 0.00 0.00 52.86 52.95 2x1w s ASN 175 Cb -0.02 -2.60 -0.08 0.00 1.28 0.00 0.00 41.25 39.84 2x1w s ASN 175 CO 0.08 0.15 0.45 0.35 -2.04 0.00 0.00 177.10 176.08 2x1w n THR 176 N 1.61 0.00 -3.63 0.54 -2.24 0.14 -4.90 114.28 105.79 2x1w n THR 176 Ca -0.02 -0.31 -0.14 0.00 -2.27 0.00 0.00 64.05 61.32 2x1w n THR 176 Cb 0.47 1.03 -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 -1.76 -0.74 -0.04 3.42 1.04 -1.24 -4.99 113.70 109.39 2x1w s SER 177 Ca 0.05 1.44 0.02 0.00 0.48 0.00 0.00 55.95 57.93 2x1w s SER 177 Cb 0.07 1.46 0.01 0.00 0.10 0.00 0.00 66.02 67.66 2x1w s SER 177 CO 0.35 -0.25 -0.06 -0.89 0.98 0.00 0.00 173.24 173.38 2x1w s THR 178 N 0.38 0.62 0.47 2.02 2.01 -1.26 -1.74 115.64 118.14 2x1w s THR 178 Ca 0.00 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 61.80 2x1w s THR 178 Cb -0.05 -0.60 0.00 0.00 0.01 0.00 0.00 72.50 71.86 2x1w s THR 178 CO 0.01 0.23 0.69 -0.55 -0.69 0.00 0.00 174.62 174.30 2x1w s SER 179 N 0.62 5.74 -0.06 3.53 0.15 -0.79 -4.93 113.70 117.96 2x1w s SER 179 Ca -0.09 0.23 0.03 0.00 0.70 0.00 0.00 55.95 56.83 2x1w s SER 179 Cb -0.12 -1.42 0.00 0.00 -1.71 0.00 0.00 66.02 62.77 2x1w s SER 179 CO 0.01 -0.77 -0.15 -0.31 1.20 0.00 0.00 173.24 173.21 2x1w s TYR 180 N -2.59 1.61 -0.20 3.44 1.51 -1.26 -0.57 117.35 119.29 2x1w s TYR 180 Ca 0.50 -0.53 -0.05 0.00 -1.01 0.00 0.00 57.07 55.98 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 0.38 -0.23 -0.01 -0.51 -1.11 0.00 0.00 175.55 174.07 2x1w s LEU 181 N 0.34 3.20 0.01 -1.29 1.43 -0.55 -4.92 118.68 116.90 2x1w s LEU 181 Ca -0.10 -0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 52.48 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 0.06 1.15 -0.44 0.23 0.00 0.00 176.35 177.38 2x1w s SER 182 N 0.99 7.14 0.04 2.29 0.01 -1.26 -1.40 113.70 121.51 2x1w s SER 182 Ca 0.01 1.87 0.04 0.00 1.31 0.00 0.00 55.95 59.18 2x1w s SER 182 Cb -0.14 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.49 2x1w s SER 182 CO 0.01 -0.46 -0.11 -0.54 0.41 0.00 0.00 173.24 172.55 2x1w s LYS 183 N 1.40 0.74 -0.13 12.44 1.02 -0.36 -4.99 119.74 129.85 2x1w s LYS 183 Ca 0.56 -0.76 0.01 0.00 0.02 0.00 0.00 55.97 55.81 2x1w s LYS 183 Cb -0.26 -0.67 -0.00 0.00 -0.52 0.00 0.00 37.83 36.37 2x1w s LYS 183 CO 0.27 0.16 -0.17 0.99 -0.92 0.00 0.00 175.35 175.67 2x1w s THR 184 N -1.05 2.63 0.01 2.17 2.01 -1.26 -1.51 115.64 118.64 2x1w s THR 184 Ca -0.03 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.17 2x1w s THR 184 Cb -0.08 -2.09 -0.00 0.00 0.01 0.00 0.00 72.50 70.34 2x1w s THR 184 CO 0.01 0.53 0.01 0.00 -0.69 0.00 0.00 174.62 174.48 2x1w n LEU 185 N 3.78 0.00 -4.65 4.42 -0.00 -0.91 -4.98 117.00 114.66 2x1w n LEU 185 Ca -0.19 -0.06 -0.31 0.00 -0.00 0.00 0.00 56.01 55.45 2x1w n LEU 185 Cb 0.52 0.03 -0.09 0.00 -0.00 0.00 0.00 43.42 43.89 2x1w n LEU 185 CO 0.29 -0.01 -0.35 -0.36 -0.00 0.00 0.00 177.39 176.96 2x1w s PHE 186 N -2.28 2.95 -0.17 1.47 0.08 0.06 -0.76 117.98 119.33 2x1w s PHE 186 Ca 0.01 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.03 2x1w s PHE 186 Cb 0.00 -1.56 0.03 0.00 -0.57 0.00 0.00 43.02 40.92 2x1w s PHE 186 CO 0.01 0.45 -0.12 -2.00 -0.10 0.00 0.00 175.22 173.46 2x1w s GLU 187 N -2.01 2.09 -0.10 0.44 2.12 0.09 -0.79 118.70 120.54 2x1w s GLU 187 Ca 0.23 -0.65 -0.15 0.00 0.36 0.00 0.00 54.97 54.76 2x1w s GLU 187 Cb -0.11 -2.19 -0.05 0.00 0.26 0.00 0.00 34.13 32.04 2x1w s GLU 187 CO 0.14 -0.33 0.36 0.42 -0.54 0.00 0.00 175.26 175.32 2x1w s ILE 188 N 1.47 5.21 0.46 -3.70 1.01 0.32 -2.24 121.20 123.73 2x1w s ILE 188 Ca 0.02 0.71 0.07 0.00 0.00 0.00 0.00 60.65 61.44 2x1w s ILE 188 Cb -0.14 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 2x1w s ILE 188 CO -0.09 0.44 0.29 -0.89 0.00 0.00 0.00 174.94 174.69 2x1w s THR 189 N -0.04 2.16 -0.02 2.92 2.01 -1.26 0.38 115.64 121.80 2x1w s THR 189 Ca 0.21 -1.55 -0.01 0.00 0.31 0.00 0.00 61.69 60.65 2x1w s THR 189 Cb -0.14 -2.72 0.02 0.00 0.01 0.00 0.00 72.50 69.67 2x1w s THR 189 CO 0.08 0.00 0.04 -0.69 -0.69 0.00 0.00 174.62 173.36 2x1w s VAL 190 N -2.63 -0.03 1.01 3.82 1.01 -0.83 -4.16 120.40 118.59 2x1w s VAL 190 Ca 0.40 0.11 -0.13 0.00 0.00 0.00 0.00 61.98 62.35 2x1w s VAL 190 Cb 0.00 -0.07 0.20 0.00 0.00 0.00 0.00 36.38 36.50 2x1w s VAL 190 CO 0.23 0.05 1.11 -2.84 0.00 0.00 0.00 175.10 173.64 2x1w s PRO 191 N 0.58 0.29 -0.77 2.72 0.02 -1.26 -4.94 135.00 131.65 2x1w s PRO 191 Ca -0.05 0.35 -0.05 0.00 0.02 0.00 0.00 61.00 61.27 2x1w s PRO 191 Cb -0.07 -1.74 -0.04 0.00 0.02 0.00 0.00 34.50 32.67 2x1w s PRO 191 CO -0.02 -2.79 1.94 1.28 -0.33 0.00 0.00 177.00 177.09 2x1w n LEU 192 N -4.18 4.17 -0.01 -5.54 7.99 -1.26 -4.44 117.00 113.73 2x1w n LEU 192 Ca 0.07 -2.60 -0.13 0.00 -0.01 0.00 0.00 56.01 53.34 2x1w n LEU 192 Cb 0.58 -1.00 -0.09 0.00 -0.11 0.00 0.00 43.42 42.80 2x1w n LEU 192 CO 0.56 0.34 0.66 -1.28 -1.51 0.00 0.00 177.39 176.16 2x1w h SER 193 N 6.53 0.03 -0.51 -1.43 0.87 -1.94 -3.46 113.55 113.65 2x1w h SER 193 Ca 0.42 -0.44 -0.67 0.00 -1.23 0.00 0.00 61.79 59.86 2x1w h SER 193 Cb 0.14 -0.01 -0.13 0.00 -0.44 0.00 0.00 62.40 61.97 2x1w h SER 193 CO 1.36 0.46 -0.52 -1.58 -0.53 0.00 0.00 176.83 176.02 2x1w s GLN 194 N -4.44 2.17 0.67 2.24 2.00 -1.26 -5.16 119.66 115.88 2x1w s GLN 194 Ca -0.16 -2.37 -0.02 0.00 -2.00 0.00 0.00 55.36 50.81 2x1w s GLN 194 Cb 0.02 -1.53 0.09 0.00 0.80 0.00 0.00 33.01 32.39 2x1w s GLN 194 CO 0.68 -0.33 0.93 0.20 -0.50 0.00 0.00 175.29 176.27 2x1w s GLY 195 N -3.86 1.77 0.07 2.59 0.00 -1.26 -4.85 107.32 101.79 2x1w s GLY 195 Ca 0.08 -1.43 -0.36 0.00 0.00 0.00 0.00 44.72 43.01 2x1w s GLY 195 CO 0.04 -0.99 1.44 -1.05 0.00 0.00 0.00 173.10 172.55 2x1w n PRO 196 N -2.71 1.42 -4.38 2.90 -0.02 -1.26 -4.88 135.00 126.07 2x1w n PRO 196 Ca 0.11 0.51 -0.32 0.00 -2.02 0.00 0.00 63.50 61.79 2x1w n PRO 196 Cb 0.60 -2.20 -0.10 0.00 -0.02 0.00 0.00 33.50 31.79 2x1w n PRO 196 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2x1w s LYS 197 N 0.91 2.59 0.12 -0.52 -2.85 -0.95 -4.83 119.74 114.22 2x1w s LYS 197 Ca 0.84 -0.72 -0.30 0.00 -1.00 0.00 0.00 55.97 54.79 2x1w s LYS 197 Cb -0.89 -2.54 -0.07 0.00 -2.06 0.00 0.00 37.83 32.27 2x1w s LYS 197 CO 0.46 0.60 1.24 -2.14 0.10 0.00 0.00 175.35 175.61 2x1w s PRO 198 N -1.56 4.43 -0.01 1.78 0.02 -1.26 -0.73 135.00 137.67 2x1w s PRO 198 Ca 0.19 1.88 0.05 0.00 0.02 0.00 0.00 61.00 63.13 2x1w s PRO 198 Cb -0.11 -3.28 -0.01 0.00 0.02 0.00 0.00 34.50 31.11 2x1w s PRO 198 CO 0.09 -0.23 -0.15 0.14 -0.33 0.00 0.00 177.00 176.52 2x1w s VAL 199 N 0.63 1.18 -0.20 3.83 -7.23 0.06 -4.94 120.40 113.73 2x1w s VAL 199 Ca 0.58 -0.66 -0.08 0.00 -1.81 0.00 0.00 61.98 60.01 2x1w s VAL 199 Cb -0.32 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.59 2x1w s VAL 199 CO 0.32 0.32 0.08 -0.89 -0.31 0.00 0.00 175.10 174.63 2x1w s THR 200 N -0.37 4.88 0.01 5.32 2.01 -1.26 -2.13 115.64 124.10 2x1w s THR 200 Ca 0.06 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.08 2x1w s THR 200 Cb -0.06 -3.23 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 2x1w s THR 200 CO -0.00 0.43 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.65 2x1w s ILE 201 N 0.61 0.55 -0.21 1.82 1.01 -0.57 -4.98 121.20 119.44 2x1w s ILE 201 Ca 0.04 -0.56 -0.09 0.00 0.00 0.00 0.00 60.65 60.05 2x1w s ILE 201 Cb -0.13 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.78 2x1w s ILE 201 CO 0.01 -0.02 0.10 -0.44 0.00 0.00 0.00 174.94 174.59 2x1w s SER 202 N -0.64 5.83 0.01 3.58 0.01 -1.26 -1.23 113.70 119.99 2x1w s SER 202 Ca -0.01 0.09 0.06 0.00 1.31 0.00 0.00 55.95 57.39 2x1w s SER 202 Cb -0.05 -2.02 -0.03 0.00 0.21 0.00 0.00 66.02 64.13 2x1w s SER 202 CO 0.00 0.12 -0.16 -0.36 0.41 0.00 0.00 173.24 173.25 2x1w s PHE 203 N 0.71 2.63 0.24 2.43 0.08 -0.50 -4.91 117.98 118.67 2x1w s PHE 203 Ca 0.05 -0.21 -0.30 0.00 0.12 0.00 0.00 56.93 56.60 2x1w s PHE 203 Cb -0.13 -1.53 -0.10 0.00 -0.57 0.00 0.00 43.02 40.69 2x1w s PHE 203 CO 0.02 0.23 1.45 0.00 -0.10 0.00 0.00 175.22 176.82 2x1w s ALA 204 N -0.86 3.64 -0.43 5.36 0.00 -1.26 -1.48 121.76 126.72 2x1w s ALA 204 Ca 0.14 1.33 0.03 0.00 0.00 0.00 0.00 51.96 53.45 2x1w s ALA 204 Cb -0.11 -3.56 0.12 0.00 0.00 0.00 0.00 23.12 19.57 2x1w s ALA 204 CO 0.04 -0.74 0.19 1.21 0.00 0.00 0.00 175.76 176.45 2x1w s ASN 205 N 0.43 4.16 0.27 0.00 2.47 0.27 -4.68 114.94 117.86 2x1w s ASN 205 Ca 0.60 -2.53 -0.31 0.00 0.42 0.00 0.00 52.86 51.04 2x1w s ASN 205 Cb -0.42 -1.35 -0.12 0.00 -1.45 0.00 0.00 41.25 37.92 2x1w s ASN 205 CO 0.42 -0.30 1.64 -1.00 -3.72 0.00 0.00 177.10 174.14 2x1w s HIS 206 N 0.41 2.78 -0.22 0.43 3.76 -0.76 -1.89 115.29 119.80 2x1w s HIS 206 Ca 0.15 0.64 0.04 0.00 -0.15 0.00 0.00 55.06 55.74 2x1w s HIS 206 Cb -0.23 -4.10 -0.03 0.00 1.11 0.00 0.00 32.58 29.32 2x1w s HIS 206 CO -0.05 -3.85 0.21 0.25 -0.85 0.00 0.00 174.74 170.46 2x1w n THR 207 N 2.69 0.00 -3.58 1.30 -2.24 -0.71 -4.71 114.28 107.04 2x1w n THR 207 Ca 0.10 -0.42 -0.16 0.00 -2.27 0.00 0.00 64.05 61.30 2x1w n THR 207 Cb 0.37 1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 69.54 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 -1.27 -0.65 0.07 3.42 1.04 -1.22 -4.94 113.70 110.14 2x1w s SER 208 Ca 0.02 0.91 0.02 0.00 0.48 0.00 0.00 55.95 57.38 2x1w s SER 208 Cb 0.03 0.83 -0.03 0.00 0.10 0.00 0.00 66.02 66.94 2x1w s SER 208 CO 0.15 -0.47 -0.07 0.00 0.98 0.00 0.00 173.24 173.83 2x1w s ARG 210 N -2.83 0.39 -0.27 0.00 3.52 -0.26 -4.86 118.95 114.66 2x1w s ARG 210 Ca 0.01 0.40 -0.29 0.00 -0.13 0.00 0.00 55.73 55.73 2x1w s ARG 210 Cb -0.01 0.19 -0.02 0.00 -1.56 0.00 0.00 34.95 33.54 2x1w s ARG 210 CO -0.03 -0.05 1.74 0.00 -0.81 0.00 0.00 175.30 176.15 2x1w s MET 212 N 5.23 1.23 0.00 0.00 1.00 -0.65 -4.86 119.30 121.26 2x1w s MET 212 Ca 0.78 -1.45 0.29 0.00 0.00 0.00 0.00 55.69 55.30 2x1w s MET 212 Cb -0.25 -1.11 1.28 0.00 0.00 0.00 0.00 34.83 34.76 2x1w s MET 212 CO 0.32 0.20 1.88 -1.13 0.00 0.00 0.00 175.02 176.29