#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i1n s MET 126 N 0.00 1.55 0.18 1.43 1.75 -1.26 -5.10 119.30 117.85 2i1n s MET 126 Ca 0.00 -0.98 0.10 0.00 -1.25 0.00 0.00 55.69 53.56 2i1n s MET 126 Cb 0.00 0.44 -0.04 0.00 2.84 0.00 0.00 34.83 38.07 2i1n s MET 126 CO 0.00 -0.72 -0.14 -0.06 -0.65 0.00 0.00 175.02 173.45 2i1n s PHE 127 N -2.35 2.54 0.06 4.11 0.40 -1.26 -1.49 117.98 119.98 2i1n s PHE 127 Ca 0.19 -0.26 0.08 0.00 -0.60 0.00 0.00 56.93 56.34 2i1n s PHE 127 Cb -0.03 -1.25 -0.03 0.00 0.51 0.00 0.00 43.02 42.22 2i1n s PHE 127 CO 0.07 0.51 -0.21 0.21 0.70 0.00 0.00 175.22 176.49 2i1n s LYS 128 N -2.77 1.90 0.04 0.44 2.36 0.16 -4.80 119.74 117.06 2i1n s LYS 128 Ca 0.24 -1.08 0.05 0.00 -2.55 0.00 0.00 55.97 52.63 2i1n s LYS 128 Cb -0.09 -2.09 -0.04 0.00 -1.05 0.00 0.00 37.83 34.57 2i1n s LYS 128 CO 0.13 0.52 -0.09 0.71 1.55 0.00 0.00 175.35 178.18 2i1n s TYR 129 N -0.93 2.81 -0.07 4.03 1.51 -1.26 -1.66 117.35 121.78 2i1n s TYR 129 Ca 0.14 -0.10 -0.07 0.00 -1.01 0.00 0.00 57.07 56.04 2i1n s TYR 129 Cb -0.10 -1.54 0.02 0.00 -0.11 0.00 0.00 41.96 40.22 2i1n s TYR 129 CO 0.05 0.37 0.19 -2.00 -1.11 0.00 0.00 175.55 173.05 2i1n s GLU 130 N -1.65 0.24 -0.19 -0.62 2.12 -0.30 -4.99 118.70 113.31 2i1n s GLU 130 Ca 0.18 0.24 -0.14 0.00 0.36 0.00 0.00 54.97 55.62 2i1n s GLU 130 Cb -0.11 0.11 -0.04 0.00 0.26 0.00 0.00 34.13 34.35 2i1n s GLU 130 CO 0.09 -0.03 0.29 -2.00 -0.54 0.00 0.00 175.26 173.07 2i1n s GLU 131 N 0.04 4.19 -0.10 4.30 2.12 -1.26 -0.89 118.70 127.11 2i1n s GLU 131 Ca -0.01 0.04 0.04 0.00 0.36 0.00 0.00 54.97 55.41 2i1n s GLU 131 Cb -0.02 -3.48 -0.00 0.00 0.26 0.00 0.00 34.13 30.89 2i1n s GLU 131 CO 0.00 0.12 -0.24 0.42 -0.54 0.00 0.00 175.26 175.02 2i1n s ILE 132 N 0.85 2.08 -0.14 -3.70 1.01 0.53 -4.96 121.20 116.87 2i1n s ILE 132 Ca 0.15 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 59.80 2i1n s ILE 132 Cb -0.13 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.55 2i1n s ILE 132 CO 0.05 0.56 -0.20 -0.69 0.00 0.00 0.00 174.94 174.66 2i1n s VAL 133 N 0.29 2.32 -0.07 2.92 1.01 -1.26 -0.38 120.40 125.24 2i1n s VAL 133 Ca -0.17 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 60.95 2i1n s VAL 133 Cb -0.18 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.26 2i1n s VAL 133 CO 0.08 0.54 -0.19 -0.76 0.00 0.00 0.00 175.10 174.77 2i1n s LEU 134 N 0.69 1.92 -0.19 3.92 1.43 -0.32 -4.96 118.68 121.17 2i1n s LEU 134 Ca -0.09 -0.43 -0.27 0.00 -1.03 0.00 0.00 54.13 52.31 2i1n s LEU 134 Cb -0.16 -1.13 -0.01 0.00 0.03 0.00 0.00 46.19 44.93 2i1n s LEU 134 CO 0.01 0.14 0.92 -1.61 0.23 0.00 0.00 176.35 176.04 2i1n s GLU 135 N 0.27 4.29 0.38 1.70 2.02 -1.26 -0.77 118.70 125.33 2i1n s GLU 135 Ca -0.11 1.17 -0.27 0.00 0.02 0.00 0.00 54.97 55.77 2i1n s GLU 135 Cb -0.15 -3.60 -0.10 0.00 0.10 0.00 0.00 34.13 30.39 2i1n s GLU 135 CO 0.05 -0.44 1.33 0.50 0.02 0.00 0.00 175.26 176.72 2i1n s ARG 136 N 2.54 4.11 0.12 1.61 3.52 0.53 -4.78 118.95 126.60 2i1n s ARG 136 Ca 0.41 2.24 0.01 0.00 -0.13 0.00 0.00 55.73 58.26 2i1n s ARG 136 Cb -0.16 -2.89 0.02 0.00 -1.56 0.00 0.00 34.95 30.36 2i1n s ARG 136 CO 0.11 -0.41 0.16 0.41 -0.81 0.00 0.00 175.30 174.76 2i1n n GLY 137 N 0.68 1.33 0.32 8.12 0.00 -0.27 -4.96 105.19 110.42 2i1n n GLY 137 Ca 0.02 -2.06 0.01 0.00 0.00 0.00 0.00 46.02 43.99 2i1n n GLY 137 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2i1n h ASN 138 N -0.05 0.71 -0.68 1.61 2.35 -1.99 -2.69 115.58 114.84 2i1n h ASN 138 Ca -0.05 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2i1n h ASN 138 Cb 0.22 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.41 2i1n h ASN 138 CO 0.07 0.57 0.00 -1.20 -1.65 0.00 0.00 177.43 175.21 2i1n n SER 139 N -4.40 3.76 0.00 5.81 7.64 -1.26 -5.06 113.62 120.10 2i1n n SER 139 Ca 0.06 -2.04 0.00 0.00 1.01 0.00 0.00 58.87 57.89 2i1n n SER 139 Cb 0.09 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 2i1n n SER 139 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2i1n n GLY 140 N 1.54 0.71 0.01 0.23 0.00 -1.02 -4.65 105.19 102.01 2i1n n GLY 140 Ca 0.23 -1.71 0.10 0.00 0.00 0.00 0.00 46.02 44.64 2i1n n GLY 140 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2i1n n LEU 141 N 0.00 0.62 -1.06 0.99 4.77 -1.26 -1.11 117.00 119.94 2i1n n LEU 141 Ca 0.00 -0.28 -0.06 0.00 -0.03 0.00 0.00 56.01 55.65 2i1n n LEU 141 Cb 0.00 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.09 2i1n n LEU 141 CO 0.00 0.14 0.02 0.61 -1.33 0.00 0.00 177.39 176.83 2i1n n GLY 142 N 1.41 0.44 3.33 -0.72 0.00 -1.26 -1.34 105.19 107.05 2i1n n GLY 142 Ca 0.01 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 2i1n n GLY 142 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2i1n s PHE 143 N -2.82 0.24 0.10 1.61 -0.12 -1.26 -2.09 117.98 113.64 2i1n s PHE 143 Ca 0.10 -0.61 0.08 0.00 -0.05 0.00 0.00 56.93 56.45 2i1n s PHE 143 Cb -0.04 0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.33 2i1n s PHE 143 CO 0.12 -0.70 -0.17 -1.12 -0.05 0.00 0.00 175.22 173.30 2i1n s SER 144 N -2.92 3.93 0.08 1.98 0.01 -0.25 -4.99 113.70 111.54 2i1n s SER 144 Ca 0.13 -0.52 0.08 0.00 1.31 0.00 0.00 55.95 56.95 2i1n s SER 144 Cb 0.03 -0.59 -0.03 0.00 0.21 0.00 0.00 66.02 65.64 2i1n s SER 144 CO -0.04 0.19 -0.22 0.27 0.41 0.00 0.00 173.24 173.85 2i1n s ILE 145 N -1.12 1.81 0.23 1.44 -4.36 -1.26 -1.66 121.20 116.28 2i1n s ILE 145 Ca 0.18 -1.45 0.08 0.00 -0.26 0.00 0.00 60.65 59.20 2i1n s ILE 145 Cb -0.11 -1.60 -0.05 0.00 1.25 0.00 0.00 42.46 41.95 2i1n s ILE 145 CO 0.10 0.08 -0.12 0.00 0.24 0.00 0.00 174.94 175.23 2i1n s ALA 146 N -1.00 2.19 0.00 2.27 0.00 -0.31 -4.91 121.76 120.00 2i1n s ALA 146 Ca 0.08 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.29 2i1n s ALA 146 Cb -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.00 2i1n s ALA 146 CO 0.03 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.25 2i1n n GLY 147 N -0.46 -0.86 0.00 0.00 0.00 -1.24 -0.49 105.19 102.14 2i1n n GLY 147 Ca -0.07 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.79 2i1n n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i1n n GLY 148 N 0.00 3.08 0.22 -0.02 0.00 -0.98 -4.22 105.19 103.27 2i1n n GLY 148 Ca 0.00 -1.91 0.15 0.00 0.00 0.00 0.00 46.02 44.27 2i1n n GLY 148 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2i1n h ILE 149 N 0.00 0.00 -0.02 -0.61 3.07 -1.07 -1.82 117.51 117.06 2i1n h ILE 149 Ca 0.00 -0.29 0.00 0.00 1.55 0.00 0.00 64.86 66.12 2i1n h ILE 149 Cb 0.00 1.14 0.00 0.00 -0.27 0.00 0.00 36.82 37.69 2i1n h ILE 149 CO 0.00 0.00 -0.19 -0.90 -1.05 0.00 0.00 178.15 176.01 2i1n n ASP 150 N -2.69 2.12 -2.74 2.16 5.75 -1.26 -4.65 116.55 115.23 2i1n n ASP 150 Ca 0.00 -1.59 -0.08 0.00 -0.01 0.00 0.00 54.79 53.12 2i1n n ASP 150 Cb 0.22 0.17 0.06 0.00 -1.03 0.00 0.00 41.12 40.54 2i1n n ASP 150 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2i1n n ASN 151 N 0.40 -2.67 -4.69 -1.12 5.15 -0.72 -5.01 115.26 106.59 2i1n n ASN 151 Ca 0.13 -3.29 -0.44 0.00 -0.60 0.00 0.00 54.58 50.39 2i1n n ASN 151 Cb 0.48 1.79 -0.02 0.00 -0.53 0.00 0.00 39.78 41.49 2i1n n ASN 151 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 2i1n n PRO 152 N 1.34 2.23 0.10 1.20 -0.02 -0.97 -3.73 135.00 135.13 2i1n n PRO 152 Ca 0.08 0.79 -0.15 0.00 -2.02 0.00 0.00 63.50 62.20 2i1n n PRO 152 Cb 0.65 -2.47 -0.11 0.00 -0.02 0.00 0.00 33.50 31.55 2i1n n PRO 152 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2i1n h HIS 153 N 4.15 0.53 -3.49 6.00 2.76 -1.82 -3.43 115.15 119.85 2i1n h HIS 153 Ca -0.46 -0.35 -0.68 0.00 -2.20 0.00 0.00 60.37 56.68 2i1n h HIS 153 Cb 1.26 -0.03 -0.32 0.00 1.55 0.00 0.00 27.41 29.86 2i1n h HIS 153 CO 0.56 1.24 -0.88 0.08 -1.30 0.00 0.00 177.93 177.63 2i1n s VAL 154 N -2.84 2.08 0.02 5.26 1.01 -1.26 -5.04 120.40 119.62 2i1n s VAL 154 Ca -0.05 -1.02 -0.37 0.00 0.00 0.00 0.00 61.98 60.54 2i1n s VAL 154 Cb 0.08 -1.78 -0.17 0.00 0.00 0.00 0.00 36.38 34.51 2i1n s VAL 154 CO 0.88 0.56 1.41 -2.65 0.00 0.00 0.00 175.10 175.30 2i1n n PRO 155 N 3.39 1.12 -1.41 2.72 -0.02 -1.26 -1.16 135.00 138.38 2i1n n PRO 155 Ca -0.19 0.40 -0.13 0.00 -2.02 0.00 0.00 63.50 61.56 2i1n n PRO 155 Cb 0.53 -2.05 -0.06 0.00 -0.02 0.00 0.00 33.50 31.90 2i1n n PRO 155 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2i1n n ASP 156 N 3.01 -4.59 -4.01 2.55 2.03 -1.26 -5.00 116.55 109.27 2i1n n ASP 156 Ca 0.20 0.32 -0.28 0.00 0.52 0.00 0.00 54.79 55.55 2i1n n ASP 156 Cb 0.18 -3.28 -0.17 0.00 -0.72 0.00 0.00 41.12 37.13 2i1n n ASP 156 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2i1n s ASP 157 N -2.85 2.31 0.00 1.67 -1.08 -0.31 -5.02 116.67 111.39 2i1n s ASP 157 Ca 0.00 -0.39 0.31 0.00 -0.52 0.00 0.00 52.55 51.95 2i1n s ASP 157 Cb 0.00 -1.01 1.76 0.00 -1.46 0.00 0.00 42.92 42.21 2i1n s ASP 157 CO 0.00 -0.02 2.15 -0.81 0.52 0.00 0.00 175.17 177.01 2i1n n PRO 158 N 4.37 0.94 -1.62 4.34 -0.04 -1.26 -4.28 135.00 137.44 2i1n n PRO 158 Ca -0.18 -0.08 -0.35 0.00 -0.04 0.00 0.00 63.50 62.86 2i1n n PRO 158 Cb 0.51 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.54 2i1n n PRO 158 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2i1n s GLY 159 N -2.11 2.45 -0.26 0.55 0.00 -1.26 -2.38 107.32 104.31 2i1n s GLY 159 Ca 0.43 0.89 -0.17 0.00 0.00 0.00 0.00 44.72 45.88 2i1n s GLY 159 CO 0.39 1.29 0.45 -0.42 0.00 0.00 0.00 173.10 174.81 2i1n s ILE 160 N -1.90 5.12 0.04 0.90 -1.09 -1.26 -2.32 121.20 120.68 2i1n s ILE 160 Ca 0.75 0.76 0.09 0.00 -2.23 0.00 0.00 60.65 60.01 2i1n s ILE 160 Cb -0.29 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 36.79 2i1n s ILE 160 CO 0.42 0.13 -0.26 -0.36 -1.23 0.00 0.00 174.94 173.64 2i1n s PHE 161 N 2.12 2.34 -0.08 3.97 0.08 0.36 -0.58 117.98 126.18 2i1n s PHE 161 Ca 0.19 -0.41 -0.30 0.00 0.12 0.00 0.00 56.93 56.54 2i1n s PHE 161 Cb -0.16 -1.41 -0.02 0.00 -0.57 0.00 0.00 43.02 40.86 2i1n s PHE 161 CO 0.09 0.12 1.14 0.42 -0.10 0.00 0.00 175.22 176.89 2i1n s ILE 162 N -0.79 4.42 -0.12 0.64 -1.09 -0.20 -1.16 121.20 122.90 2i1n s ILE 162 Ca 0.12 1.73 0.14 0.00 -2.23 0.00 0.00 60.65 60.40 2i1n s ILE 162 Cb -0.10 -4.11 -0.20 0.00 -1.58 0.00 0.00 42.46 36.47 2i1n s ILE 162 CO 0.02 -0.01 0.34 0.35 -1.23 0.00 0.00 174.94 174.41 2i1n n THR 163 N 4.64 0.00 -3.65 2.92 -2.24 -0.66 0.24 114.28 115.54 2i1n n THR 163 Ca 0.10 -0.29 -0.14 0.00 -2.27 0.00 0.00 64.05 61.46 2i1n n THR 163 Cb 0.47 0.33 -0.07 0.00 -2.10 0.00 0.00 70.33 68.95 2i1n n THR 163 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2i1n s LYS 164 N -2.82 0.78 -0.14 -0.78 2.20 -1.25 -4.91 119.74 112.81 2i1n s LYS 164 Ca -0.03 0.94 -0.01 0.00 -0.36 0.00 0.00 55.97 56.51 2i1n s LYS 164 Cb 0.09 0.37 0.04 0.00 -1.51 0.00 0.00 37.83 36.82 2i1n s LYS 164 CO 0.56 -0.10 -0.02 0.42 -0.36 0.00 0.00 175.35 175.85 2i1n s ILE 165 N 0.41 0.77 0.02 5.43 1.01 -1.26 -1.09 121.20 126.48 2i1n s ILE 165 Ca -0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 60.65 60.19 2i1n s ILE 165 Cb -0.05 -1.00 -0.05 0.00 0.01 0.00 0.00 42.46 41.37 2i1n s ILE 165 CO 0.00 0.11 0.31 0.27 0.00 0.00 0.00 174.94 175.64 2i1n s ILE 166 N 1.78 5.23 0.39 2.92 -4.36 -0.89 -4.96 121.20 121.32 2i1n s ILE 166 Ca 0.02 0.34 -0.27 0.00 -0.26 0.00 0.00 60.65 60.48 2i1n s ILE 166 Cb -0.15 -3.59 -0.11 0.00 1.25 0.00 0.00 42.46 39.86 2i1n s ILE 166 CO -0.07 0.39 1.32 -2.65 0.24 0.00 0.00 174.94 174.17 2i1n n PRO 167 N 1.22 2.12 0.00 0.37 -0.02 -1.26 -2.61 135.00 134.82 2i1n n PRO 167 Ca -0.11 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2i1n n PRO 167 Cb 0.53 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2i1n n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2i1n n GLY 168 N 0.73 1.64 3.96 -1.23 0.00 -1.26 -5.04 105.19 103.98 2i1n n GLY 168 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 2i1n n GLY 168 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i1n s GLY 169 N -2.02 1.77 0.17 -0.02 0.00 -1.07 -4.90 107.32 101.24 2i1n s GLY 169 Ca 0.00 -1.24 -0.13 0.00 0.00 0.00 0.00 44.72 43.35 2i1n s GLY 169 CO 0.00 -0.86 1.76 0.00 0.00 0.00 0.00 173.10 174.00 2i1n h ALA 170 N -0.29 0.70 -0.42 3.20 0.00 -1.78 -1.21 119.26 119.46 2i1n h ALA 170 Ca -0.42 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 2i1n h ALA 170 Cb 1.30 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2i1n h ALA 170 CO 0.53 0.25 0.17 0.00 0.00 0.00 0.00 179.25 180.20 2i1n h ALA 171 N 1.11 0.54 -0.59 0.00 0.00 -1.46 -0.36 119.26 118.50 2i1n h ALA 171 Ca 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2i1n h ALA 171 Cb 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2i1n h ALA 171 CO -0.03 0.15 0.33 0.00 0.00 0.00 0.00 179.25 179.70 2i1n h ALA 172 N 1.01 0.75 -0.13 0.00 0.00 -1.74 -2.08 119.26 117.08 2i1n h ALA 172 Ca 0.14 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 2i1n h ALA 172 Cb 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2i1n h ALA 172 CO -0.01 0.26 -0.53 0.52 0.00 0.00 0.00 179.25 179.50 2i1n h MET 173 N 0.80 0.38 -0.64 0.00 2.86 -0.83 -2.74 114.93 114.75 2i1n h MET 173 Ca 0.21 -0.23 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 2i1n h MET 173 Cb 0.03 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 2i1n h MET 173 CO -0.03 0.81 0.17 0.22 1.06 0.00 0.00 176.91 179.14 2i1n h ASP 174 N 0.29 0.96 0.00 1.22 3.58 -0.98 -3.48 116.42 118.02 2i1n h ASP 174 Ca 0.01 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.23 2i1n h ASP 174 Cb 1.02 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.82 2i1n h ASP 174 CO 0.09 0.94 0.00 0.61 -2.88 0.00 0.00 179.24 178.00 2i1n n GLY 175 N -0.67 1.11 0.13 -0.78 0.00 -0.79 -4.92 105.19 99.27 2i1n n GLY 175 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 2i1n n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2i1n n ARG 176 N -2.00 0.71 -2.22 1.61 1.74 -1.26 -4.92 116.66 110.32 2i1n n ARG 176 Ca 0.00 0.23 -0.39 0.00 -0.77 0.00 0.00 57.85 56.92 2i1n n ARG 176 Cb 0.00 -1.67 -0.02 0.00 -1.02 0.00 0.00 32.46 29.75 2i1n n ARG 176 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2i1n s LEU 177 N -6.68 4.27 0.08 0.55 2.96 -1.26 -5.04 118.68 113.56 2i1n s LEU 177 Ca -0.21 2.48 0.04 0.00 -0.22 0.00 0.00 54.13 56.21 2i1n s LEU 177 Cb 0.07 -3.90 -0.03 0.00 0.50 0.00 0.00 46.19 42.83 2i1n s LEU 177 CO 0.75 -0.65 -0.10 -0.83 -1.32 0.00 0.00 176.35 174.19 2i1n s GLY 178 N -0.90 0.78 0.37 7.98 0.00 -1.26 -4.95 107.32 109.33 2i1n s GLY 178 Ca 0.55 -1.08 -0.28 0.00 0.00 0.00 0.00 44.72 43.90 2i1n s GLY 178 CO 0.44 -1.15 1.49 -0.62 0.00 0.00 0.00 173.10 173.27 2i1n n VAL 179 N 0.82 1.87 -0.31 1.40 0.31 -1.26 -1.76 118.33 119.41 2i1n n VAL 179 Ca -0.18 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 2i1n n VAL 179 Cb 0.57 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 2i1n n VAL 179 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2i1n n ASN 180 N 0.68 0.00 -4.74 4.52 3.02 0.14 -4.98 115.26 113.90 2i1n n ASN 180 Ca 0.02 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.19 2i1n n ASN 180 Cb 0.38 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.61 2i1n n ASN 180 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2i1n s ASP 181 N -3.44 5.03 -0.21 6.41 1.01 -0.72 -4.65 116.67 120.10 2i1n s ASP 181 Ca 0.00 2.75 -0.08 0.00 0.71 0.00 0.00 52.55 55.94 2i1n s ASP 181 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 2i1n s ASP 181 CO 0.00 -1.73 0.07 0.00 0.21 0.00 0.00 175.17 173.72 2i1n s VAL 183 N 0.94 5.05 -0.09 0.00 1.01 0.25 -0.92 120.40 126.63 2i1n s VAL 183 Ca 0.04 1.02 0.13 0.00 0.00 0.00 0.00 61.98 63.17 2i1n s VAL 183 Cb -0.14 -3.88 -0.19 0.00 0.00 0.00 0.00 36.38 32.17 2i1n s VAL 183 CO 0.03 0.10 0.15 0.18 0.00 0.00 0.00 175.10 175.56 2i1n n LEU 184 N 5.29 0.00 -3.75 3.92 4.77 0.25 -4.25 117.00 123.23 2i1n n LEU 184 Ca -0.03 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.83 2i1n n LEU 184 Cb 0.50 0.21 -0.11 0.00 -2.33 0.00 0.00 43.42 41.69 2i1n n LEU 184 CO 0.42 0.21 -0.01 -0.60 -1.33 0.00 0.00 177.39 176.09 2i1n s ARG 185 N -2.59 0.37 -0.25 3.23 3.52 -1.18 -1.40 118.95 120.64 2i1n s ARG 185 Ca -0.06 0.52 0.01 0.00 -0.13 0.00 0.00 55.73 56.07 2i1n s ARG 185 Cb 0.06 0.12 0.07 0.00 -1.56 0.00 0.00 34.95 33.64 2i1n s ARG 185 CO 0.58 -0.08 -0.03 0.08 -0.81 0.00 0.00 175.30 175.04 2i1n s VAL 186 N 0.50 1.59 0.00 7.11 1.01 -0.39 -1.16 120.40 129.06 2i1n s VAL 186 Ca -0.03 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 60.57 2i1n s VAL 186 Cb -0.04 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.43 2i1n s VAL 186 CO -0.03 -0.20 0.00 0.59 0.00 0.00 0.00 175.10 175.46 2i1n n ASN 187 N 4.63 0.00 -1.28 3.32 3.02 0.12 -0.93 115.26 124.15 2i1n n ASN 187 Ca -0.10 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.57 2i1n n ASN 187 Cb 0.43 0.00 0.30 0.00 -0.61 0.00 0.00 39.78 39.91 2i1n n ASN 187 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2i1n n GLU 188 N 11.97 2.60 -3.10 3.52 1.02 -1.26 -4.90 120.64 130.49 2i1n n GLU 188 Ca 0.00 -2.49 -0.41 0.00 -0.02 0.00 0.00 57.16 54.24 2i1n n GLU 188 Cb 0.00 -1.54 -0.06 0.00 -0.02 0.00 0.00 31.44 29.82 2i1n n GLU 188 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2i1n s VAL 189 N -1.08 4.95 -0.11 2.62 1.01 -0.10 -5.04 120.40 122.64 2i1n s VAL 189 Ca 0.46 1.00 -0.29 0.00 0.00 0.00 0.00 61.98 63.15 2i1n s VAL 189 Cb 0.24 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 2i1n s VAL 189 CO 0.32 -0.08 1.40 -0.62 0.00 0.00 0.00 175.10 176.12 2i1n s ASP 190 N 1.56 6.85 -0.18 3.32 2.15 -1.26 -1.26 116.67 127.85 2i1n s ASP 190 Ca 0.26 1.91 0.15 0.00 0.43 0.00 0.00 52.55 55.29 2i1n s ASP 190 Cb -0.15 -2.54 0.37 0.00 -0.30 0.00 0.00 42.92 40.30 2i1n s ASP 190 CO 0.10 -0.81 1.20 1.33 -0.17 0.00 0.00 175.17 176.82 2i1n n VAL 191 N 5.33 2.08 0.07 1.11 0.24 -0.50 -4.76 118.33 121.91 2i1n n VAL 191 Ca 0.15 -2.79 -0.09 0.00 -2.04 0.00 0.00 64.34 59.56 2i1n n VAL 191 Cb 0.44 -0.24 0.02 0.00 -1.47 0.00 0.00 33.84 32.58 2i1n n VAL 191 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2i1n h SER 192 N 0.57 0.39 -2.02 -1.34 4.64 -1.80 -3.38 113.55 110.61 2i1n h SER 192 Ca 0.00 -0.28 -0.54 0.00 -0.47 0.00 0.00 61.79 60.50 2i1n h SER 192 Cb 1.02 -0.12 -0.37 0.00 -0.31 0.00 0.00 62.40 62.63 2i1n h SER 192 CO 0.01 1.04 -1.01 -0.62 -0.87 0.00 0.00 176.83 175.38 2i1n n GLU 193 N -3.77 0.50 -4.31 4.77 1.02 -1.26 -4.35 120.64 113.23 2i1n n GLU 193 Ca -0.04 -3.09 -0.16 0.00 -0.02 0.00 0.00 57.16 53.84 2i1n n GLU 193 Cb 0.75 -1.41 -0.10 0.00 -0.02 0.00 0.00 31.44 30.65 2i1n n GLU 193 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2i1n s VAL 194 N -0.54 1.12 0.66 2.62 -7.23 -1.26 -4.93 120.40 110.85 2i1n s VAL 194 Ca 0.34 -2.05 -0.14 0.00 -1.81 0.00 0.00 61.98 58.31 2i1n s VAL 194 Cb 0.12 -2.18 -0.00 0.00 0.56 0.00 0.00 36.38 34.87 2i1n s VAL 194 CO -0.15 -0.46 1.10 0.68 -0.31 0.00 0.00 175.10 175.95 2i1n s VAL 195 N -3.36 3.38 0.17 1.32 -7.23 -1.26 -0.87 120.40 112.55 2i1n s VAL 195 Ca 0.25 0.61 -0.16 0.00 -1.81 0.00 0.00 61.98 60.87 2i1n s VAL 195 Cb 0.04 -3.14 0.11 0.00 0.56 0.00 0.00 36.38 33.96 2i1n s VAL 195 CO 0.06 -0.42 1.67 -0.74 -0.31 0.00 0.00 175.10 175.36 2i1n h HIS 196 N -0.05 -0.20 -0.17 2.82 2.76 -1.89 -1.62 115.15 116.81 2i1n h HIS 196 Ca -0.46 0.04 0.05 0.00 -2.20 0.00 0.00 60.37 57.80 2i1n h HIS 196 Cb 1.24 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 30.35 2i1n h HIS 196 CO 0.56 -0.17 0.13 0.66 -1.30 0.00 0.00 177.93 177.80 2i1n h SER 197 N 0.02 0.00 -0.31 3.26 4.64 -1.92 -1.76 113.55 117.47 2i1n h SER 197 Ca 0.21 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.42 2i1n h SER 197 Cb 0.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2i1n h SER 197 CO -0.44 0.00 -0.23 -0.09 -0.87 0.00 0.00 176.83 175.20 2i1n h ARG 198 N 0.00 0.70 -0.23 4.77 9.65 -1.66 -0.81 114.38 126.80 2i1n h ARG 198 Ca 0.08 -0.34 0.01 0.00 -1.10 0.00 0.00 59.98 58.63 2i1n h ARG 198 Cb 0.33 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.90 2i1n h ARG 198 CO -0.00 0.95 0.13 0.00 2.80 0.00 0.00 179.97 183.85 2i1n h ALA 199 N 0.74 0.28 -0.22 2.80 0.00 -1.25 0.48 119.26 122.09 2i1n h ALA 199 Ca 0.06 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2i1n h ALA 199 Cb 0.79 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2i1n h ALA 199 CO 0.06 -0.26 -0.05 0.28 0.00 0.00 0.00 179.25 179.28 2i1n h VAL 200 N 0.28 0.79 -0.60 0.00 2.07 -1.32 -1.93 116.25 115.52 2i1n h VAL 200 Ca 0.09 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.63 2i1n h VAL 200 Cb -0.01 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 2i1n h VAL 200 CO -0.04 0.00 0.38 -0.08 0.02 0.00 0.00 177.57 177.85 2i1n h GLU 201 N 0.00 0.73 -0.77 1.57 4.81 -0.98 -0.98 114.58 118.97 2i1n h GLU 201 Ca 0.10 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 2i1n h GLU 201 Cb 0.16 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 2i1n h GLU 201 CO -0.22 0.48 0.46 0.00 -0.73 0.00 0.00 179.01 178.99 2i1n h ALA 202 N 1.26 1.04 -0.33 2.92 0.00 -0.59 -0.47 119.26 123.08 2i1n h ALA 202 Ca 0.24 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 2i1n h ALA 202 Cb -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2i1n h ALA 202 CO -0.09 0.17 -0.34 -0.07 0.00 0.00 0.00 179.25 178.92 2i1n h LEU 203 N 0.84 0.87 -0.81 0.00 3.38 -1.01 -2.64 115.31 115.94 2i1n h LEU 203 Ca 0.34 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 2i1n h LEU 203 Cb 0.18 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2i1n h LEU 203 CO -0.18 1.17 0.18 0.50 0.09 0.00 0.00 178.44 180.20 2i1n h LYS 204 N 0.60 1.07 -0.13 1.13 3.64 -0.88 -3.13 116.57 118.87 2i1n h LYS 204 Ca 0.05 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 2i1n h LYS 204 Cb 0.92 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2i1n h LYS 204 CO 0.08 0.94 0.00 0.39 -2.27 0.00 0.00 179.45 178.59 2i1n n GLU 205 N -4.24 1.71 0.00 1.90 1.02 -0.21 -4.42 120.64 116.40 2i1n n GLU 205 Ca 0.05 -1.07 0.11 0.00 -0.02 0.00 0.00 57.16 56.24 2i1n n GLU 205 Cb 0.25 -1.41 0.67 0.00 -0.02 0.00 0.00 31.44 30.92 2i1n n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2i1n n ALA 206 N 0.29 2.48 -0.20 0.62 0.00 -1.00 -5.00 120.51 117.70 2i1n n ALA 206 Ca 0.17 -0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.47 2i1n n ALA 206 Cb 0.33 -1.37 -0.00 0.00 0.00 0.00 0.00 19.45 18.42 2i1n n ALA 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i1n n GLY 207 N 0.63 -1.94 0.22 0.00 0.00 -1.26 -4.37 105.19 98.48 2i1n n GLY 207 Ca 0.17 -1.37 0.11 0.00 0.00 0.00 0.00 46.02 44.93 2i1n n GLY 207 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2i1n h PRO 208 N 0.00 0.00 -4.80 1.61 0.13 -1.94 -3.41 132.00 123.59 2i1n h PRO 208 Ca 0.00 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.49 2i1n h PRO 208 Cb 0.04 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 30.81 2i1n h PRO 208 CO 0.00 0.19 -0.83 0.08 -0.23 0.00 0.00 178.00 177.22 2i1n s VAL 209 N -3.52 1.88 -0.21 1.56 1.01 -1.26 -0.35 120.40 119.51 2i1n s VAL 209 Ca 0.02 -1.10 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 2i1n s VAL 209 Cb 0.09 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.61 2i1n s VAL 209 CO 0.64 0.26 -0.10 -0.69 0.00 0.00 0.00 175.10 175.21 2i1n s VAL 210 N 1.30 2.80 -0.29 2.92 1.01 0.05 -4.96 120.40 123.24 2i1n s VAL 210 Ca -0.01 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.11 2i1n s VAL 210 Cb -0.16 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2i1n s VAL 210 CO -0.09 0.43 0.21 -0.13 0.00 0.00 0.00 175.10 175.52 2i1n s ARG 211 N 1.38 3.87 -0.14 2.72 0.52 -1.26 -1.18 118.95 124.86 2i1n s ARG 211 Ca 0.04 -0.36 -0.01 0.00 -0.52 0.00 0.00 55.73 54.88 2i1n s ARG 211 Cb -0.14 -3.69 -0.02 0.00 0.52 0.00 0.00 34.95 31.62 2i1n s ARG 211 CO -0.07 -0.24 -0.10 -0.51 0.02 0.00 0.00 175.30 174.40 2i1n s LEU 212 N 1.78 2.88 -0.24 2.53 1.43 0.49 0.14 118.68 127.69 2i1n s LEU 212 Ca 0.07 -0.27 -0.09 0.00 -1.03 0.00 0.00 54.13 52.81 2i1n s LEU 212 Cb -0.16 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 2i1n s LEU 212 CO 0.11 0.16 0.13 -0.69 0.23 0.00 0.00 176.35 176.29 2i1n s VAL 213 N 0.39 5.04 0.19 -1.59 1.01 -0.31 -0.35 120.40 124.79 2i1n s VAL 213 Ca -0.08 0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.04 2i1n s VAL 213 Cb -0.15 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 2i1n s VAL 213 CO 0.05 0.35 -0.14 0.68 0.00 0.00 0.00 175.10 176.04 2i1n s VAL 214 N 1.15 1.62 -0.03 2.92 -7.23 -0.07 -0.58 120.40 118.18 2i1n s VAL 214 Ca 0.06 -2.16 0.05 0.00 -1.81 0.00 0.00 61.98 58.12 2i1n s VAL 214 Cb -0.14 -1.98 -0.01 0.00 0.56 0.00 0.00 36.38 34.81 2i1n s VAL 214 CO 0.05 -0.61 -0.17 -0.60 -0.31 0.00 0.00 175.10 173.46 2i1n s ARG 215 N -3.60 1.54 0.13 4.82 3.52 -0.10 -1.15 118.95 124.11 2i1n s ARG 215 Ca 0.21 -0.61 -0.08 0.00 -0.13 0.00 0.00 55.73 55.12 2i1n s ARG 215 Cb -0.00 -1.42 -0.01 0.00 -1.56 0.00 0.00 34.95 31.95 2i1n s ARG 215 CO 0.05 0.32 0.21 -0.98 -0.81 0.00 0.00 175.30 174.09 2i1n s ARG 216 N -0.22 1.00 0.34 5.12 1.70 -0.67 -1.37 118.95 124.85 2i1n s ARG 216 Ca 0.02 -1.12 -0.29 0.00 -0.47 0.00 0.00 55.73 53.87 2i1n s ARG 216 Cb -0.09 0.34 -0.11 0.00 -0.57 0.00 0.00 34.95 34.52 2i1n s ARG 216 CO 0.00 -0.34 1.50 0.54 -1.08 0.00 0.00 175.30 175.93 2i1n n ARG 217 N -0.13 2.61 -3.22 3.89 5.12 -1.26 -0.66 116.66 122.99 2i1n n ARG 217 Ca -0.10 0.92 -0.20 0.00 -1.93 0.00 0.00 57.85 56.54 2i1n n ARG 217 Cb 0.63 -2.65 -0.07 0.00 -1.16 0.00 0.00 32.46 29.21 2i1n n ARG 217 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2i1n s GLN 218 N -1.45 0.91 0.39 5.56 -0.44 -0.56 -4.04 119.66 120.03 2i1n s GLN 218 Ca 0.58 -1.68 0.08 0.00 -2.50 0.00 0.00 55.36 51.83 2i1n s GLN 218 Cb -0.50 -0.98 -0.01 0.00 -1.64 0.00 0.00 33.01 29.89 2i1n s GLN 218 CO 0.58 -1.35 0.45 -1.25 0.50 0.00 0.00 175.29 174.22 2i1n s PRO 219 N 0.45 2.80 0.79 1.67 0.05 -1.26 -4.61 135.00 134.89 2i1n s PRO 219 Ca 0.30 -1.28 -0.15 0.00 0.05 0.00 0.00 61.00 59.92 2i1n s PRO 219 Cb -0.00 -2.62 -0.01 0.00 0.05 0.00 0.00 34.50 31.91 2i1n s PRO 219 CO -0.13 -0.12 0.51 -2.30 0.05 0.00 0.00 177.00 175.01 2i1n n PRO 220 N -1.65 0.13 -1.45 0.56 -0.02 -1.26 -4.89 135.00 126.43 2i1n n PRO 220 Ca 0.03 0.09 -0.33 0.00 -2.02 0.00 0.00 63.50 61.28 2i1n n PRO 220 Cb 0.60 -1.86 0.08 0.00 -0.02 0.00 0.00 33.50 32.30 2i1n n PRO 220 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2i1n s PRO 221 N -3.07 2.30 -0.15 0.52 0.04 -1.26 -5.01 135.00 128.37 2i1n s PRO 221 Ca 0.63 1.49 -0.22 0.00 0.04 0.00 0.00 61.00 62.94 2i1n s PRO 221 Cb -0.30 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 2i1n s PRO 221 CO 0.61 -1.66 0.67 -2.00 0.04 0.00 0.00 177.00 174.66 2i1n s GLU 222 N -4.24 4.30 -0.08 4.56 2.12 -1.26 -5.06 118.70 119.05 2i1n s GLU 222 Ca 0.68 0.75 0.03 0.00 0.36 0.00 0.00 54.97 56.79 2i1n s GLU 222 Cb -0.23 -3.53 0.01 0.00 0.26 0.00 0.00 34.13 30.64 2i1n s GLU 222 CO 0.47 -0.13 -0.18 -2.00 -0.54 0.00 0.00 175.26 172.87 2i1n s GLU 223 N 1.52 2.36 -0.06 4.30 2.12 -1.26 -5.14 118.70 122.55 2i1n s GLU 223 Ca 0.33 -0.65 0.03 0.00 0.36 0.00 0.00 54.97 55.04 2i1n s GLU 223 Cb -0.16 -1.85 0.01 0.00 0.26 0.00 0.00 34.13 32.38 2i1n s GLU 223 CO 0.13 0.11 -0.15 0.99 -0.54 0.00 0.00 175.26 175.80 2i1n s THR 224 N 0.47 1.31 0.05 -1.70 2.01 -1.26 -5.13 115.64 111.40 2i1n s THR 224 Ca -0.16 -0.61 -0.30 0.00 0.31 0.00 0.00 61.69 60.93 2i1n s THR 224 Cb -0.17 -1.16 -0.05 0.00 0.01 0.00 0.00 72.50 71.14 2i1n s THR 224 CO 0.06 0.39 1.06 -0.94 -0.69 0.00 0.00 174.62 174.50 2i1n s SER 225 N 0.40 7.28 0.00 3.53 1.04 -1.26 -5.36 113.70 119.32 2i1n s SER 225 Ca -0.11 1.84 0.00 0.00 0.48 0.00 0.00 55.95 58.16 2i1n s SER 225 Cb -0.14 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.40 2i1n s SER 225 CO 0.04 -0.30 0.29 1.33 0.98 0.00 0.00 173.24 175.57