#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iie n GLY 119 N 0.00 -1.16 0.00 -7.48 0.00 -1.26 -4.92 105.19 90.37 1iie n GLY 119 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1iie n GLY 119 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1iie n ASN 120 N -2.66 0.00 -1.78 1.61 2.85 -1.26 -4.98 115.26 109.05 1iie n ASN 120 Ca -0.07 -1.00 -0.13 0.00 -0.11 0.00 0.00 54.58 53.27 1iie n ASN 120 Cb 0.58 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.57 1iie n ASN 120 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1iie n MET 121 N 0.00 -1.63 -0.08 1.20 2.81 -1.26 -4.76 117.12 113.40 1iie n MET 121 Ca 0.00 0.70 -0.15 0.00 -1.81 0.00 0.00 57.70 56.43 1iie n MET 121 Cb 0.46 -5.07 -0.06 0.00 -0.71 0.00 0.00 33.22 27.84 1iie n MET 121 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1iie n THR 122 N -2.44 0.86 -0.25 2.03 -1.04 -1.26 -4.23 114.28 107.93 1iie n THR 122 Ca -0.14 -0.24 0.14 0.00 -2.04 0.00 0.00 64.05 61.77 1iie n THR 122 Cb 0.49 -1.57 0.42 0.00 -1.82 0.00 0.00 70.33 67.86 1iie n THR 122 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1iie h GLU 123 N -0.44 0.58 0.00 -2.82 5.08 -1.97 2.10 114.58 117.10 1iie h GLU 123 Ca -0.38 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 57.87 1iie h GLU 123 Cb 1.38 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1iie h GLU 123 CO -0.20 0.38 -0.35 -0.44 -1.00 0.00 0.00 179.01 177.40 1iie h ASP 124 N 0.60 0.00 1.00 1.42 3.32 -1.97 0.91 116.42 121.70 1iie h ASP 124 Ca 0.45 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.45 1iie h ASP 124 Cb 0.84 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 1iie h ASP 124 CO -0.20 0.35 -1.03 -0.74 -1.72 0.00 0.00 179.24 175.90 1iie h HIS 125 N 0.00 0.00 0.06 4.55 2.76 0.26 -2.69 115.15 120.09 1iie h HIS 125 Ca -0.00 0.00 -0.33 0.00 -2.20 0.00 0.00 60.37 57.83 1iie h HIS 125 Cb 1.02 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.94 1iie h HIS 125 CO 0.00 0.17 -1.91 0.28 -1.30 0.00 0.00 177.93 175.17 1iie n VAL 126 N -2.78 1.68 -0.15 5.26 0.31 0.64 -2.50 118.33 120.79 1iie n VAL 126 Ca -0.02 -0.72 -0.06 0.00 -0.01 0.00 0.00 64.34 63.52 1iie n VAL 126 Cb 0.63 -1.36 0.11 0.00 -0.91 0.00 0.00 33.84 32.31 1iie n VAL 126 CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 1iie h MET 127 N 0.03 0.90 -0.15 5.55 -1.53 0.77 -1.39 114.93 119.11 1iie h MET 127 Ca -0.38 -0.26 -0.17 0.00 -3.44 0.00 0.00 59.70 55.45 1iie h MET 127 Cb 2.03 -0.10 -0.00 0.00 -0.55 0.00 0.00 31.60 32.98 1iie h MET 127 CO 0.07 0.90 -0.62 1.25 0.14 0.00 0.00 176.91 178.65 1iie h HIS 128 N 0.83 0.69 0.00 1.39 2.76 -1.59 0.21 115.15 119.45 1iie h HIS 128 Ca 0.16 -0.27 -0.00 0.00 -2.20 0.00 0.00 60.37 58.06 1iie h HIS 128 Cb 0.50 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.34 1iie h HIS 128 CO 0.03 1.02 -0.02 -0.07 -1.30 0.00 0.00 177.93 177.59 1iie h LEU 129 N 0.40 0.00 0.00 0.26 -0.00 -1.10 -1.34 115.31 113.52 1iie h LEU 129 Ca -0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.72 1iie h LEU 129 Cb 1.18 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.81 1iie h LEU 129 CO 0.11 0.02 -1.96 0.18 -0.00 0.00 0.00 178.44 176.79 1iie n LEU 130 N -3.19 0.21 0.06 1.67 4.77 -0.58 -3.26 117.00 116.69 1iie n LEU 130 Ca -0.02 0.09 0.13 0.00 -0.03 0.00 0.00 56.01 56.19 1iie n LEU 130 Cb 0.18 0.17 0.50 0.00 -2.33 0.00 0.00 43.42 41.94 1iie n LEU 130 CO 0.24 0.18 0.92 0.00 -1.33 0.00 0.00 177.39 177.40 1iie n GLN 131 N -2.56 0.14 -0.09 3.23 6.02 0.68 -1.27 117.38 123.53 1iie n GLN 131 Ca -0.14 0.12 -0.11 0.00 -0.01 0.00 0.00 57.00 56.86 1iie n GLN 131 Cb 0.81 -1.67 -0.11 0.00 1.02 0.00 0.00 30.24 30.29 1iie n GLN 131 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1iie n ASN 132 N -1.92 1.74 0.08 1.08 2.85 -0.61 -4.43 115.26 114.06 1iie n ASN 132 Ca 0.06 -0.06 -0.10 0.00 -0.11 0.00 0.00 54.58 54.37 1iie n ASN 132 Cb 0.39 0.25 -0.05 0.00 1.24 0.00 0.00 39.78 41.61 1iie n ASN 132 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1iie h ALA 133 N 0.37 0.42 -3.32 5.20 0.00 -1.61 -3.43 119.26 116.90 1iie h ALA 133 Ca -0.45 -0.78 -0.48 0.00 0.00 0.00 0.00 54.91 53.20 1iie h ALA 133 Cb 1.85 -0.07 -0.36 0.00 0.00 0.00 0.00 17.79 19.21 1iie h ALA 133 CO -0.03 0.97 -0.79 -0.51 0.00 0.00 0.00 179.25 178.89 1iie s ASP 134 N -6.94 1.69 0.00 0.00 1.01 -0.40 -4.99 116.67 107.04 1iie s ASP 134 Ca -0.03 -0.22 0.23 0.00 0.71 0.00 0.00 52.55 53.24 1iie s ASP 134 Cb 0.10 -0.68 1.39 0.00 1.01 0.00 0.00 42.92 44.74 1iie s ASP 134 CO 0.84 -0.08 1.80 -0.81 0.21 0.00 0.00 175.17 177.13 1iie n PRO 135 N 4.48 0.83 -0.09 8.23 -0.04 -1.26 -3.12 135.00 144.04 1iie n PRO 135 Ca -0.17 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.38 1iie n PRO 135 Cb 0.51 -1.44 0.13 0.00 -0.04 0.00 0.00 33.50 32.66 1iie n PRO 135 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1iie n LEU 136 N -0.94 2.41 -4.59 1.53 4.77 -1.26 -4.99 117.00 113.94 1iie n LEU 136 Ca 0.18 -2.96 -0.43 0.00 -0.03 0.00 0.00 56.01 52.77 1iie n LEU 136 Cb 0.08 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 1iie n LEU 136 CO 0.13 0.69 0.82 -0.54 -1.33 0.00 0.00 177.39 177.16 1iie s LYS 137 N -2.66 3.73 0.04 3.23 -0.14 -1.18 -5.01 119.74 117.75 1iie s LYS 137 Ca 0.29 0.47 0.08 0.00 -1.36 0.00 0.00 55.97 55.45 1iie s LYS 137 Cb 0.25 -3.86 -0.03 0.00 -1.68 0.00 0.00 37.83 32.52 1iie s LYS 137 CO 0.03 -1.13 -0.23 0.08 -0.76 0.00 0.00 175.35 173.35 1iie s VAL 138 N 3.78 1.84 -0.48 3.17 1.01 -1.26 -4.77 120.40 123.69 1iie s VAL 138 Ca 0.40 -1.26 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1iie s VAL 138 Cb -0.10 -1.58 0.16 0.00 0.00 0.00 0.00 36.38 34.85 1iie s VAL 138 CO 0.24 0.27 0.33 -0.31 0.00 0.00 0.00 175.10 175.62 1iie s TYR 139 N -0.80 1.91 0.70 5.22 1.51 -1.26 -5.10 117.35 119.54 1iie s TYR 139 Ca 0.09 -2.53 -0.16 0.00 -1.01 0.00 0.00 57.07 53.46 1iie s TYR 139 Cb -0.09 -1.64 -0.01 0.00 -0.11 0.00 0.00 41.96 40.11 1iie s TYR 139 CO 0.02 -0.75 0.92 -0.35 -1.11 0.00 0.00 175.55 174.28 1iie n PRO 140 N 2.98 0.54 -1.93 -1.71 -0.04 -1.26 -4.80 135.00 128.78 1iie n PRO 140 Ca 0.19 0.24 -0.35 0.00 -0.04 0.00 0.00 63.50 63.54 1iie n PRO 140 Cb 0.40 -2.17 -0.03 0.00 -0.04 0.00 0.00 33.50 31.65 1iie n PRO 140 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1iie s PRO 141 N -3.19 2.46 -1.48 0.54 0.04 -1.26 -4.84 135.00 127.27 1iie s PRO 141 Ca 0.73 0.63 -0.10 0.00 0.04 0.00 0.00 61.00 62.29 1iie s PRO 141 Cb -0.36 -4.54 0.02 0.00 0.04 0.00 0.00 34.50 29.66 1iie s PRO 141 CO 0.50 -3.02 2.48 1.28 0.04 0.00 0.00 177.00 178.29 1iie n LEU 142 N 13.84 7.74 0.28 -3.56 4.77 -1.26 -4.63 117.00 134.18 1iie n LEU 142 Ca 0.28 -4.42 0.17 0.00 -0.03 0.00 0.00 56.01 52.00 1iie n LEU 142 Cb 0.51 -1.55 0.80 0.00 -2.33 0.00 0.00 43.42 40.86 1iie n LEU 142 CO 0.69 1.66 1.01 0.11 -1.33 0.00 0.00 177.39 179.53 1iie h LYS 143 N 5.37 0.00 0.00 3.23 1.79 -1.98 -3.43 116.57 121.55 1iie h LYS 143 Ca 0.68 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.15 1iie h LYS 143 Cb 0.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1iie h LYS 143 CO 1.75 0.06 0.00 0.41 -1.08 0.00 0.00 179.45 180.59 1iie n GLY 144 N -0.41 -2.88 4.00 3.86 0.00 -1.26 -5.00 105.19 103.49 1iie n GLY 144 Ca -0.01 -1.07 -0.21 0.00 0.00 0.00 0.00 46.02 44.73 1iie n GLY 144 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iie s SER 145 N -1.93 5.02 0.33 1.61 0.01 -1.26 -4.71 113.70 112.77 1iie s SER 145 Ca 0.00 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 56.93 1iie s SER 145 Cb 0.00 -0.34 0.61 0.00 0.21 0.00 0.00 66.02 66.50 1iie s SER 145 CO 0.00 -1.34 1.96 0.15 0.41 0.00 0.00 173.24 174.42 1iie h PHE 146 N 0.00 0.89 0.00 2.43 3.57 -1.94 2.06 116.94 123.95 1iie h PHE 146 Ca -0.38 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.15 1iie h PHE 146 Cb 1.28 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1iie h PHE 146 CO 0.22 0.50 0.00 -1.00 -2.23 0.00 0.00 178.31 175.80 1iie h PRO 147 N 0.91 0.00 0.10 6.41 0.13 -1.98 0.79 132.00 138.36 1iie h PRO 147 Ca 0.32 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 65.10 1iie h PRO 147 Cb 0.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.22 1iie h PRO 147 CO -0.10 0.00 -1.89 0.39 -0.23 0.00 0.00 178.00 176.17 1iie n GLU 148 N -2.56 0.72 -0.05 0.86 -0.58 0.13 -2.46 120.64 116.70 1iie n GLU 148 Ca 0.04 0.31 0.03 0.00 -0.42 0.00 0.00 57.16 57.12 1iie n GLU 148 Cb 0.40 -1.71 0.37 0.00 -0.57 0.00 0.00 31.44 29.94 1iie n GLU 148 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1iie h ASN 149 N -0.13 0.56 0.00 1.62 -0.26 0.33 1.46 115.58 119.16 1iie h ASN 149 Ca -0.42 -0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.27 1iie h ASN 149 Cb 1.90 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 39.02 1iie h ASN 149 CO 0.03 0.43 -0.11 -0.07 -1.06 0.00 0.00 177.43 176.64 1iie h LEU 150 N 0.65 0.09 -1.67 1.61 3.38 -0.94 -0.67 115.31 117.76 1iie h LEU 150 Ca 0.17 -0.82 -0.03 0.00 0.09 0.00 0.00 57.88 57.29 1iie h LEU 150 Cb -0.04 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1iie h LEU 150 CO -0.03 0.90 -0.16 0.03 0.09 0.00 0.00 178.44 179.26 1iie h ARG 151 N -0.70 0.00 0.10 1.13 2.47 -1.15 0.19 114.38 116.42 1iie h ARG 151 Ca -0.02 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1iie h ARG 151 Cb 0.92 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.24 1iie h ARG 151 CO 0.02 0.16 -0.05 1.25 0.56 0.00 0.00 179.97 181.92 1iie h HIS 152 N 0.00 -0.12 -0.87 3.04 2.76 0.21 1.27 115.15 121.43 1iie h HIS 152 Ca -0.00 -0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.30 1iie h HIS 152 Cb 0.46 0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.40 1iie h HIS 152 CO 0.00 0.40 0.57 -0.07 -1.30 0.00 0.00 177.93 177.52 1iie h LEU 153 N -0.82 0.66 0.18 0.26 3.38 -0.73 1.93 115.31 120.16 1iie h LEU 153 Ca -0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1iie h LEU 153 Cb 0.58 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1iie h LEU 153 CO 0.02 0.34 -0.08 0.50 0.09 0.00 0.00 178.44 179.31 1iie h LYS 154 N 0.70 -0.23 0.00 1.13 3.11 -0.49 1.21 116.57 122.01 1iie h LYS 154 Ca 0.43 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.29 1iie h LYS 154 Cb 0.67 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.95 1iie h LYS 154 CO -0.19 0.19 0.00 -1.71 -2.81 0.00 0.00 179.45 174.93 1iie n ASN 155 N -4.95 0.00 0.02 4.20 5.15 0.44 -4.12 115.26 115.99 1iie n ASN 155 Ca -0.08 0.32 -0.01 0.00 -0.60 0.00 0.00 54.58 54.20 1iie n ASN 155 Cb 0.26 -0.42 -0.00 0.00 -0.53 0.00 0.00 39.78 39.09 1iie n ASN 155 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1iie n THR 156 N -1.42 1.05 -0.31 -0.44 -1.04 0.65 -5.00 114.28 107.76 1iie n THR 156 Ca 0.06 0.31 -0.29 0.00 -2.04 0.00 0.00 64.05 62.09 1iie n THR 156 Cb 0.18 -1.62 0.28 0.00 -1.82 0.00 0.00 70.33 67.35 1iie n THR 156 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58 1iie n MET 157 N -3.46 -4.11 -1.90 -2.82 0.00 0.42 -4.84 117.12 100.40 1iie n MET 157 Ca -0.02 -1.21 -0.42 0.00 0.00 0.00 0.00 57.70 56.05 1iie n MET 157 Cb 0.08 -1.93 -0.03 0.00 0.00 0.00 0.00 33.22 31.34 1iie n MET 157 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1iie s GLU 158 N -4.74 4.20 0.49 3.17 2.02 -1.26 -4.77 118.70 117.80 1iie s GLU 158 Ca 0.65 2.39 0.29 0.00 0.02 0.00 0.00 54.97 58.32 1iie s GLU 158 Cb -0.15 -3.26 1.38 0.00 0.10 0.00 0.00 34.13 32.21 1iie s GLU 158 CO 0.57 -0.66 1.81 1.15 0.02 0.00 0.00 175.26 178.15 1iie h THR 159 N 4.20 0.47 0.00 3.63 2.02 -1.88 1.74 112.91 123.08 1iie h THR 159 Ca -0.43 -0.05 -0.18 0.00 0.77 0.00 0.00 66.41 66.52 1iie h THR 159 Cb 1.20 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1iie h THR 159 CO 0.92 0.03 -0.97 -0.29 0.37 0.00 0.00 175.52 175.58 1iie h ILE 160 N 0.14 1.26 0.00 3.11 2.10 -1.96 0.91 117.51 123.07 1iie h ILE 160 Ca 0.55 -2.86 -0.17 0.00 1.08 0.00 0.00 64.86 63.46 1iie h ILE 160 Cb 1.90 2.60 -0.02 0.00 -1.09 0.00 0.00 36.82 40.21 1iie h ILE 160 CO -0.11 0.72 -0.82 0.44 -1.08 0.00 0.00 178.15 177.30 1iie h ASP 161 N 0.00 0.00 0.22 2.19 3.32 0.75 -0.89 116.42 122.02 1iie h ASP 161 Ca -0.05 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.80 1iie h ASP 161 Cb 1.67 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.22 1iie h ASP 161 CO 0.10 0.82 -0.80 -0.25 -1.72 0.00 0.00 179.24 177.39 1iie h TRP 162 N 0.00 0.64 -0.17 4.55 2.91 0.23 0.89 115.95 125.00 1iie h TRP 162 Ca -0.01 -0.30 0.02 0.00 1.13 0.00 0.00 58.89 59.73 1iie h TRP 162 Cb 1.47 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 30.01 1iie h TRP 162 CO 0.00 1.08 0.04 0.87 -1.03 0.00 0.00 178.44 179.40 1iie h LYS 163 N 0.30 0.11 -0.47 2.65 1.79 0.13 0.87 116.57 121.95 1iie h LYS 163 Ca -0.05 -0.01 -0.12 0.00 -2.18 0.00 0.00 60.65 58.29 1iie h LYS 163 Cb 1.40 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 32.01 1iie h LYS 163 CO 0.14 0.07 -0.18 0.28 -1.08 0.00 0.00 179.45 178.68 1iie h VAL 164 N 0.11 1.27 -0.54 0.50 2.07 -1.04 -0.19 116.25 118.43 1iie h VAL 164 Ca 0.08 -1.34 -0.04 0.00 0.82 0.00 0.00 66.70 66.22 1iie h VAL 164 Cb 0.07 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1iie h VAL 164 CO -0.10 0.46 0.17 0.15 0.02 0.00 0.00 177.57 178.27 1iie h PHE 165 N 0.80 0.86 -0.37 1.57 3.57 0.16 0.85 116.94 124.38 1iie h PHE 165 Ca 0.11 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1iie h PHE 165 Cb 0.75 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1iie h PHE 165 CO 0.05 0.73 0.20 0.93 -2.23 0.00 0.00 178.31 177.99 1iie h GLU 166 N 0.74 0.51 -0.12 1.11 4.39 0.92 1.03 114.58 123.16 1iie h GLU 166 Ca 0.17 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 1iie h GLU 166 Cb 0.27 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1iie h GLU 166 CO -0.01 0.42 -0.02 0.77 -1.16 0.00 0.00 179.01 179.02 1iie h SER 167 N 0.47 0.16 0.17 1.42 0.02 -0.48 0.93 113.55 116.24 1iie h SER 167 Ca 0.13 -0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.90 1iie h SER 167 Cb 0.05 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1iie h SER 167 CO -0.02 0.21 -0.63 -0.25 -1.14 0.00 0.00 176.83 175.00 1iie h TRP 168 N 0.17 0.58 -0.05 3.45 7.01 0.31 0.29 115.95 127.71 1iie h TRP 168 Ca 0.04 -0.23 -0.20 0.00 2.11 0.00 0.00 58.89 60.61 1iie h TRP 168 Cb 0.15 -0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 27.11 1iie h TRP 168 CO 0.00 0.95 -0.82 0.52 -2.79 0.00 0.00 178.44 176.31 1iie h MET 169 N 0.33 0.43 -0.10 2.65 2.86 0.29 0.32 114.93 121.71 1iie h MET 169 Ca -0.01 -0.39 -0.02 0.00 -2.06 0.00 0.00 59.70 57.22 1iie h MET 169 Cb 1.17 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.93 1iie h MET 169 CO 0.11 1.04 -0.00 1.25 1.06 0.00 0.00 176.91 180.37 1iie h HIS 170 N 0.27 0.20 -0.33 -0.22 -0.00 0.10 0.96 115.15 116.13 1iie h HIS 170 Ca -0.05 -0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.26 1iie h HIS 170 Cb 1.42 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 28.77 1iie h HIS 170 CO 0.05 0.44 0.12 0.45 -0.00 0.00 0.00 177.93 178.99 1iie h HIS 171 N -0.11 0.52 -0.87 5.26 -0.00 -0.39 0.28 115.15 119.84 1iie h HIS 171 Ca 0.03 -0.05 0.14 0.00 -0.00 0.00 0.00 60.37 60.49 1iie h HIS 171 Cb 0.37 -0.15 -0.09 0.00 -0.00 0.00 0.00 27.41 27.54 1iie h HIS 171 CO 0.04 0.51 0.48 2.35 -0.00 0.00 0.00 177.93 181.31 1iie h TRP 172 N 0.38 0.85 0.57 2.45 7.01 -0.13 -0.42 115.95 126.66 1iie h TRP 172 Ca 0.11 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.11 1iie h TRP 172 Cb 0.22 -0.25 0.01 0.00 -2.10 0.00 0.00 29.16 27.04 1iie h TRP 172 CO 0.00 0.25 -0.28 1.25 -2.79 0.00 0.00 178.44 176.87 1iie h LEU 173 N 0.71 -0.65 -0.00 0.65 5.85 0.26 -2.37 115.31 119.75 1iie h LEU 173 Ca 0.46 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 59.16 1iie h LEU 173 Cb 0.60 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 1iie h LEU 173 CO -0.33 -0.32 -0.26 -0.07 -0.34 0.00 0.00 178.44 177.11 1iie h LEU 174 N -1.00 -0.82 -0.41 2.25 3.38 0.05 0.56 115.31 119.32 1iie h LEU 174 Ca -0.08 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1iie h LEU 174 Cb 0.65 0.31 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 1iie h LEU 174 CO 0.13 -0.26 -0.24 0.33 0.09 0.00 0.00 178.44 178.49 1iie n PHE 175 N -3.95 -0.18 0.16 1.13 -0.00 -0.22 0.17 117.46 114.56 1iie n PHE 175 Ca -0.04 0.51 0.16 0.00 -0.00 0.00 0.00 57.45 58.08 1iie n PHE 175 Cb 0.19 -0.51 0.74 0.00 -0.00 0.00 0.00 39.48 39.91 1iie n PHE 175 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1iie h GLU 176 N 0.00 0.00 0.03 -4.13 5.08 -1.24 0.24 114.58 114.56 1iie h GLU 176 Ca 0.07 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1iie h GLU 176 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1iie h GLU 176 CO -0.39 0.00 -0.01 1.98 -1.00 0.00 0.00 179.01 179.59 1iie h MET 177 N 0.00 -0.04 -0.98 2.33 4.05 0.33 1.27 114.93 121.90 1iie h MET 177 Ca 0.11 0.00 0.28 0.00 -0.28 0.00 0.00 59.70 59.81 1iie h MET 177 Cb 0.50 0.01 -0.14 0.00 -0.80 0.00 0.00 31.60 31.17 1iie h MET 177 CO -0.00 0.02 0.52 0.66 0.23 0.00 0.00 176.91 178.34 1iie h SER 178 N -1.01 0.48 0.01 1.39 4.64 0.20 -0.38 113.55 118.88 1iie h SER 178 Ca -0.00 0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1iie h SER 178 Cb 0.07 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1iie h SER 178 CO 0.01 -0.05 -0.01 0.08 -0.87 0.00 0.00 176.83 175.99 1iie h ARG 179 N 0.40 -0.02 -6.77 4.77 0.11 -0.61 -3.48 114.38 108.78 1iie h ARG 179 Ca 0.67 0.00 -0.51 0.00 0.10 0.00 0.00 59.98 60.24 1iie h ARG 179 Cb 1.41 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.49 1iie h ARG 179 CO -0.57 0.73 -1.05 0.72 0.10 0.00 0.00 179.97 179.91 1iie n HIS 180 N -4.68 -1.88 -0.91 4.08 8.25 0.44 -4.70 115.22 115.81 1iie n HIS 180 Ca -0.08 0.62 -0.30 0.00 -0.26 0.00 0.00 57.72 57.70 1iie n HIS 180 Cb 0.37 -2.81 -0.03 0.00 1.12 0.00 0.00 29.99 28.63 1iie n HIS 180 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1iie n SER 181 N -2.48 4.11 0.09 0.41 2.88 -1.26 -3.46 113.62 113.90 1iie n SER 181 Ca -0.25 -2.46 0.00 0.00 -1.33 0.00 0.00 58.87 54.83 1iie n SER 181 Cb 0.65 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 1iie n SER 181 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1iie n LEU 182 N 5.37 -1.55 -3.26 2.46 4.77 -1.26 -4.99 117.00 118.54 1iie n LEU 182 Ca 0.47 0.57 -0.27 0.00 -0.03 0.00 0.00 56.01 56.74 1iie n LEU 182 Cb 0.23 1.70 -0.02 0.00 -2.33 0.00 0.00 43.42 43.00 1iie n LEU 182 CO 0.82 0.08 2.52 -0.62 -1.33 0.00 0.00 177.39 178.87 1iie n GLU 183 N -3.03 2.31 -4.15 3.23 -0.58 -1.23 -4.82 120.64 112.38 1iie n GLU 183 Ca 0.00 -1.65 -0.10 0.00 -0.42 0.00 0.00 57.16 54.99 1iie n GLU 183 Cb 0.00 -2.58 -0.10 0.00 -0.57 0.00 0.00 31.44 28.19 1iie n GLU 183 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1iie s GLN 184 N 3.36 0.78 0.08 3.49 -0.21 -1.26 -5.08 119.66 120.82 1iie s GLN 184 Ca 0.46 -1.30 0.03 0.00 0.02 0.00 0.00 55.36 54.57 1iie s GLN 184 Cb 0.12 -0.11 -0.04 0.00 1.00 0.00 0.00 33.01 33.98 1iie s GLN 184 CO -0.02 -0.04 0.07 0.15 -2.12 0.00 0.00 175.29 173.33 1iie s LYS 185 N -3.83 2.86 0.74 2.91 1.02 -1.26 -5.10 119.74 117.08 1iie s LYS 185 Ca 0.11 -0.69 -0.11 0.00 0.02 0.00 0.00 55.97 55.29 1iie s LYS 185 Cb 0.06 -2.72 0.04 0.00 -0.52 0.00 0.00 37.83 34.68 1iie s LYS 185 CO -0.06 0.57 1.08 -1.25 -0.92 0.00 0.00 175.35 174.76 1iie s PRO 186 N -2.37 2.55 0.09 -1.68 0.04 -1.26 -5.02 135.00 127.35 1iie s PRO 186 Ca 0.29 0.85 -0.25 0.00 0.04 0.00 0.00 61.00 61.93 1iie s PRO 186 Cb -0.12 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 1iie s PRO 186 CO 0.22 -1.35 0.76 -0.08 0.04 0.00 0.00 177.00 176.59 1iie s THR 187 N -3.08 4.61 -0.39 1.26 -1.32 -1.26 -5.02 115.64 110.44 1iie s THR 187 Ca 0.59 1.63 -0.21 0.00 -1.21 0.00 0.00 61.69 62.49 1iie s THR 187 Cb -0.14 -4.11 0.01 0.00 -1.51 0.00 0.00 72.50 66.75 1iie s THR 187 CO 0.55 0.43 0.69 -0.62 -2.21 0.00 0.00 174.62 173.46 1iie s ASP 188 N -0.49 6.43 -0.40 8.08 2.15 -1.26 -4.89 116.67 126.30 1iie s ASP 188 Ca 0.37 0.07 0.10 0.00 0.43 0.00 0.00 52.55 53.52 1iie s ASP 188 Cb -0.21 -2.35 0.38 0.00 -0.30 0.00 0.00 42.92 40.44 1iie s ASP 188 CO 0.24 -0.70 1.19 0.00 -0.17 0.00 0.00 175.17 175.72 1iie n ALA 189 N 6.26 1.25 -1.66 3.66 0.00 -1.26 -5.13 120.51 123.63 1iie n ALA 189 Ca 0.00 -1.82 -0.34 0.00 0.00 0.00 0.00 53.44 51.28 1iie n ALA 189 Cb 0.48 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.93 1iie n ALA 189 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1iie s PRO 190 N -0.59 3.21 0.03 0.00 0.04 -1.26 -4.97 135.00 131.46 1iie s PRO 190 Ca 0.24 1.40 -0.20 0.00 0.04 0.00 0.00 61.00 62.48 1iie s PRO 190 Cb 0.38 -2.00 -0.17 0.00 0.04 0.00 0.00 34.50 32.75 1iie s PRO 190 CO -0.06 -0.92 1.24 -1.00 0.04 0.00 0.00 177.00 176.30 1iie h PRO 191 N 0.65 0.41 0.00 0.56 0.13 -2.05 -3.57 132.00 128.13 1iie h PRO 191 Ca -0.48 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.36 1iie h PRO 191 Cb 1.24 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1iie h PRO 191 CO 0.56 0.91 0.00 1.17 -0.23 0.00 0.00 178.00 180.42