#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bhf n GLU 123 N 0.00 0.00 -1.85 1.96 2.13 -1.26 -4.92 120.64 116.70 1bhf n GLU 123 Ca 0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 1bhf n GLU 123 Cb 0.00 0.00 0.08 0.00 0.27 0.00 0.00 31.44 31.79 1bhf n GLU 123 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 1bhf s PRO 124 N -0.13 2.11 0.83 5.31 0.02 -1.26 -5.05 135.00 136.84 1bhf s PRO 124 Ca 0.00 0.23 -0.11 0.00 0.02 0.00 0.00 61.00 61.14 1bhf s PRO 124 Cb 0.00 -1.96 0.09 0.00 0.02 0.00 0.00 34.50 32.65 1bhf s PRO 124 CO 0.00 -1.51 1.09 -1.21 -0.33 0.00 0.00 177.00 175.04 1bhf s GLU 125 N -5.48 1.79 0.54 5.54 8.01 -1.26 -4.92 118.70 122.92 1bhf s GLU 125 Ca 0.61 1.03 0.30 0.00 0.01 0.00 0.00 54.97 56.92 1bhf s GLU 125 Cb -0.11 -1.85 1.57 0.00 -4.31 0.00 0.00 34.13 29.42 1bhf s GLU 125 CO 0.50 -1.93 2.10 -1.00 0.01 0.00 0.00 175.26 174.95 1bhf h PRO 126 N -1.33 0.00 -0.13 0.39 0.13 -1.98 -2.19 132.00 126.88 1bhf h PRO 126 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1bhf h PRO 126 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1bhf h PRO 126 CO 0.52 0.09 0.00 -2.67 -0.23 0.00 0.00 178.00 175.71 1bhf n TRP 127 N -3.52 0.15 -3.43 1.56 4.27 -1.26 -4.57 117.44 110.64 1bhf n TRP 127 Ca -0.02 -0.07 -0.42 0.00 -3.89 0.00 0.00 57.50 53.10 1bhf n TRP 127 Cb 0.22 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.07 1bhf n TRP 127 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1bhf s PHE 128 N -1.85 3.21 -0.85 -2.67 5.36 -0.83 -0.11 117.98 120.25 1bhf s PHE 128 Ca 0.33 -0.26 0.00 0.00 -0.96 0.00 0.00 56.93 56.05 1bhf s PHE 128 Cb 0.21 -2.65 0.22 0.00 -0.34 0.00 0.00 43.02 40.46 1bhf s PHE 128 CO 0.31 -0.50 0.78 1.19 -1.46 0.00 0.00 175.22 175.54 1bhf n PHE 129 N 5.31 3.84 -0.19 10.12 3.01 0.36 -4.68 117.46 135.22 1bhf n PHE 129 Ca -0.10 -4.06 -0.05 0.00 1.01 0.00 0.00 57.45 54.25 1bhf n PHE 129 Cb 0.49 -0.98 -0.05 0.00 -0.01 0.00 0.00 39.48 38.93 1bhf n PHE 129 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1bhf n LYS 130 N 1.97 -0.20 -0.48 -1.08 4.81 -1.26 -2.35 118.16 119.56 1bhf n LYS 130 Ca 0.23 0.99 0.11 0.00 -0.87 0.00 0.00 58.31 58.77 1bhf n LYS 130 Cb 0.37 -1.47 0.34 0.00 0.02 0.00 0.00 35.03 34.28 1bhf n LYS 130 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1bhf n ASN 131 N -4.08 4.33 -4.72 3.14 3.02 -1.26 -2.58 115.26 113.11 1bhf n ASN 131 Ca 0.01 -2.21 -0.42 0.00 -0.03 0.00 0.00 54.58 51.93 1bhf n ASN 131 Cb 0.12 -0.53 -0.03 0.00 -0.61 0.00 0.00 39.78 38.73 1bhf n ASN 131 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1bhf s LEU 132 N -1.40 4.41 0.85 3.41 2.96 -0.99 -5.01 118.68 122.90 1bhf s LEU 132 Ca 0.50 2.03 -0.12 0.00 -0.22 0.00 0.00 54.13 56.32 1bhf s LEU 132 Cb 0.29 -3.59 0.10 0.00 0.50 0.00 0.00 46.19 43.50 1bhf s LEU 132 CO 0.29 -0.39 1.15 -0.94 -1.32 0.00 0.00 176.35 175.14 1bhf s SER 133 N 0.69 4.07 0.14 3.68 1.04 -1.26 -4.61 113.70 117.45 1bhf s SER 133 Ca 0.55 0.93 -0.17 0.00 0.48 0.00 0.00 55.95 57.74 1bhf s SER 133 Cb -0.29 -1.49 -0.01 0.00 0.10 0.00 0.00 66.02 64.33 1bhf s SER 133 CO 0.31 -2.20 1.80 -0.09 0.98 0.00 0.00 173.24 174.05 1bhf h ARG 134 N -1.25 0.44 -0.54 4.02 2.43 -1.95 -1.44 114.38 116.09 1bhf h ARG 134 Ca -0.48 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 1bhf h ARG 134 Cb 1.32 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 1bhf h ARG 134 CO 0.63 0.29 0.28 0.87 -1.51 0.00 0.00 179.97 180.54 1bhf h LYS 135 N 0.45 0.77 0.00 0.20 1.57 -2.00 -2.27 116.57 115.29 1bhf h LYS 135 Ca 0.13 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.68 1bhf h LYS 135 Cb -0.05 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1bhf h LYS 135 CO -0.03 0.61 -0.60 -0.44 -0.57 0.00 0.00 179.45 178.42 1bhf h ASP 136 N 0.73 0.00 -0.56 0.86 3.32 -1.94 -1.67 116.42 117.16 1bhf h ASP 136 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1bhf h ASP 136 Cb 0.08 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1bhf h ASP 136 CO -0.03 0.60 0.35 0.00 -1.72 0.00 0.00 179.24 178.44 1bhf h ALA 137 N 1.40 0.71 0.09 3.45 0.00 -0.88 0.59 119.26 124.61 1bhf h ALA 137 Ca -0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1bhf h ALA 137 Cb 1.22 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1bhf h ALA 137 CO 0.08 0.18 -0.04 0.93 0.00 0.00 0.00 179.25 180.39 1bhf h GLU 138 N 0.75 -0.11 -0.34 0.00 5.08 -1.23 -1.21 114.58 117.52 1bhf h GLU 138 Ca 0.20 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.62 1bhf h GLU 138 Cb -0.04 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 1bhf h GLU 138 CO -0.04 0.11 0.06 -0.09 -1.00 0.00 0.00 179.01 178.04 1bhf h ARG 139 N -0.31 0.16 -0.16 2.33 2.43 -0.92 -1.01 114.38 116.90 1bhf h ARG 139 Ca -0.01 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1bhf h ARG 139 Cb 0.27 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1bhf h ARG 139 CO 0.02 0.11 0.04 1.96 -1.51 0.00 0.00 179.97 180.59 1bhf h GLN 140 N 0.17 0.26 -0.14 0.20 1.08 0.20 -2.96 115.11 113.91 1bhf h GLN 140 Ca 0.16 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.24 1bhf h GLN 140 Cb 0.19 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 1bhf h GLN 140 CO -0.22 0.41 -0.17 -0.07 -0.95 0.00 0.00 178.83 177.83 1bhf h LEU 141 N 0.06 0.22 -0.46 1.46 3.38 -1.04 -2.60 115.31 116.33 1bhf h LEU 141 Ca 0.05 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bhf h LEU 141 Cb 0.27 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1bhf h LEU 141 CO 0.00 0.41 0.00 0.18 0.09 0.00 0.00 178.44 179.12 1bhf n LEU 142 N -4.24 0.72 -4.87 1.67 4.77 -0.40 -4.58 117.00 110.07 1bhf n LEU 142 Ca -0.01 -0.24 -0.31 0.00 -0.03 0.00 0.00 56.01 55.42 1bhf n LEU 142 Cb 0.30 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 1bhf n LEU 142 CO 0.38 0.12 0.63 0.00 -1.33 0.00 0.00 177.39 177.20 1bhf s ALA 143 N -1.99 3.17 0.90 -1.18 0.00 -0.98 -4.99 121.76 116.69 1bhf s ALA 143 Ca 0.42 -0.10 -0.12 0.00 0.00 0.00 0.00 51.96 52.17 1bhf s ALA 143 Cb 0.21 -2.97 0.09 0.00 0.00 0.00 0.00 23.12 20.46 1bhf s ALA 143 CO 0.34 -0.44 0.89 -0.35 0.00 0.00 0.00 175.76 176.21 1bhf n PRO 144 N -2.19 -0.28 0.00 0.00 -0.04 -1.26 -2.39 135.00 128.84 1bhf n PRO 144 Ca 0.05 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1bhf n PRO 144 Cb 0.54 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 1bhf n PRO 144 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bhf n GLY 145 N 0.78 2.87 3.96 0.55 0.00 -1.26 -5.02 105.19 107.06 1bhf n GLY 145 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 1bhf n GLY 145 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bhf s ASN 146 N 0.20 6.33 0.00 1.61 0.01 -1.01 -4.83 114.94 117.26 1bhf s ASN 146 Ca 0.00 0.17 0.00 0.00 -0.71 0.00 0.00 52.86 52.32 1bhf s ASN 146 Cb 0.00 -1.91 0.00 0.00 0.41 0.00 0.00 41.25 39.75 1bhf s ASN 146 CO 0.00 -0.05 0.00 1.07 -1.51 0.00 0.00 177.10 176.61 1bhf n THR 147 N -1.12 0.00 -2.30 1.60 5.66 -1.26 -4.92 114.28 111.94 1bhf n THR 147 Ca -0.08 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.51 1bhf n THR 147 Cb 0.56 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.31 1bhf n THR 147 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1bhf s HIS 148 N -0.69 3.34 0.00 1.09 3.76 -1.26 -2.71 115.29 118.81 1bhf s HIS 148 Ca 0.00 1.34 0.00 0.00 -0.15 0.00 0.00 55.06 56.25 1bhf s HIS 148 Cb 0.00 -3.51 0.00 0.00 1.11 0.00 0.00 32.58 30.18 1bhf s HIS 148 CO 0.00 -1.52 0.00 0.41 -0.85 0.00 0.00 174.74 172.78 1bhf n GLY 149 N 2.19 0.82 3.74 -2.22 0.00 -0.59 -4.74 105.19 104.40 1bhf n GLY 149 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1bhf n GLY 149 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bhf s SER 150 N -2.74 6.99 0.37 1.61 0.01 -1.10 -0.02 113.70 118.82 1bhf s SER 150 Ca 0.00 2.35 -0.04 0.00 1.31 0.00 0.00 55.95 59.57 1bhf s SER 150 Cb 0.00 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.63 1bhf s SER 150 CO 0.00 -0.44 0.55 2.22 0.41 0.00 0.00 173.24 175.99 1bhf n PHE 151 N 2.30 -1.64 -3.52 2.43 -1.74 -0.88 -0.05 117.46 114.35 1bhf n PHE 151 Ca 0.04 -2.31 -0.08 0.00 -0.56 0.00 0.00 57.45 54.54 1bhf n PHE 151 Cb 0.44 0.63 -0.02 0.00 1.52 0.00 0.00 39.48 42.05 1bhf n PHE 151 CO 0.00 0.00 0.00 -0.48 -0.56 0.00 0.00 176.76 175.72 1bhf s LEU 152 N 0.00 -0.34 -0.03 5.98 0.05 -0.43 0.33 118.68 124.23 1bhf s LEU 152 Ca 0.27 -0.02 0.07 0.00 0.05 0.00 0.00 54.13 54.50 1bhf s LEU 152 Cb -0.02 2.00 -0.02 0.00 -2.05 0.00 0.00 46.19 46.11 1bhf s LEU 152 CO 0.20 -0.62 -0.24 -0.63 -0.55 0.00 0.00 176.35 174.51 1bhf s ILE 153 N -3.09 1.96 0.23 1.48 1.01 0.85 -0.87 121.20 122.76 1bhf s ILE 153 Ca 0.06 -1.04 -0.01 0.00 0.00 0.00 0.00 60.65 59.65 1bhf s ILE 153 Cb -0.01 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 1bhf s ILE 153 CO -0.08 0.55 0.20 0.00 0.00 0.00 0.00 174.94 175.61 1bhf s ARG 154 N -0.41 1.33 0.38 2.79 1.70 -0.66 -0.49 118.95 123.59 1bhf s ARG 154 Ca 0.05 -1.64 -0.27 0.00 -0.47 0.00 0.00 55.73 53.40 1bhf s ARG 154 Cb -0.11 0.30 -0.09 0.00 -0.57 0.00 0.00 34.95 34.48 1bhf s ARG 154 CO 0.01 -0.46 1.31 -1.21 -1.08 0.00 0.00 175.30 173.87 1bhf s GLU 155 N -4.02 4.08 0.34 3.89 2.02 -1.06 -0.72 118.70 123.22 1bhf s GLU 155 Ca 0.37 2.19 -0.27 0.00 0.02 0.00 0.00 54.97 57.28 1bhf s GLU 155 Cb 0.05 -2.85 -0.09 0.00 0.10 0.00 0.00 34.13 31.34 1bhf s GLU 155 CO 0.14 -0.41 1.12 0.45 0.02 0.00 0.00 175.26 176.58 1bhf s SER 156 N -0.65 6.95 0.36 -0.19 0.15 -0.28 -4.49 113.70 115.54 1bhf s SER 156 Ca 0.54 2.26 0.19 0.00 0.70 0.00 0.00 55.95 59.64 1bhf s SER 156 Cb -0.39 -2.62 0.46 0.00 -1.71 0.00 0.00 66.02 61.76 1bhf s SER 156 CO 0.51 -0.37 1.62 -0.33 1.20 0.00 0.00 173.24 175.87 1bhf h GLU 157 N 3.21 0.00 0.05 5.44 5.08 -1.92 -3.39 114.58 123.04 1bhf h GLU 157 Ca -0.48 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1bhf h GLU 157 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1bhf h GLU 157 CO 0.65 0.37 -0.02 0.77 -1.00 0.00 0.00 179.01 179.77 1bhf h SER 158 N 0.00 -0.06 -2.00 1.42 0.02 -1.96 -3.50 113.55 107.48 1bhf h SER 158 Ca -0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 1bhf h SER 158 Cb 1.08 0.01 -0.10 0.00 0.14 0.00 0.00 62.40 63.54 1bhf h SER 158 CO 0.05 0.20 -0.61 -0.89 -1.14 0.00 0.00 176.83 174.44 1bhf s THR 159 N -1.59 2.92 -0.07 -2.27 2.01 -1.26 -5.08 115.64 110.29 1bhf s THR 159 Ca -0.01 -1.91 -0.29 0.00 0.31 0.00 0.00 61.69 59.79 1bhf s THR 159 Cb 0.00 -2.83 -0.07 0.00 0.01 0.00 0.00 72.50 69.61 1bhf s THR 159 CO 0.03 -0.25 1.99 0.00 -0.69 0.00 0.00 174.62 175.70 1bhf s ALA 160 N -2.45 3.29 -1.54 7.40 0.00 -1.26 -2.63 121.76 124.57 1bhf s ALA 160 Ca 0.34 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.36 1bhf s ALA 160 Cb -0.02 -3.91 0.00 0.00 0.00 0.00 0.00 23.12 19.18 1bhf s ALA 160 CO 0.20 -1.98 0.00 0.41 0.00 0.00 0.00 175.76 174.39 1bhf n GLY 161 N 4.91 1.47 3.97 0.00 0.00 -1.26 -4.99 105.19 109.28 1bhf n GLY 161 Ca 0.23 -0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 1bhf n GLY 161 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bhf s SER 162 N -2.74 5.77 0.15 1.61 1.04 -1.08 -4.98 113.70 113.47 1bhf s SER 162 Ca 0.00 -0.31 0.06 0.00 0.48 0.00 0.00 55.95 56.17 1bhf s SER 162 Cb 0.00 -1.02 -0.04 0.00 0.10 0.00 0.00 66.02 65.06 1bhf s SER 162 CO 0.00 -0.52 -0.12 -0.36 0.98 0.00 0.00 173.24 173.22 1bhf s PHE 163 N -2.25 1.40 0.07 5.02 0.08 -1.25 -1.13 117.98 119.91 1bhf s PHE 163 Ca 0.47 -0.66 0.08 0.00 0.12 0.00 0.00 56.93 56.94 1bhf s PHE 163 Cb -0.09 -0.70 -0.03 0.00 -0.57 0.00 0.00 43.02 41.63 1bhf s PHE 163 CO 0.31 0.16 -0.21 -1.12 -0.10 0.00 0.00 175.22 174.26 1bhf s SER 164 N -2.99 2.49 -0.18 1.36 0.01 0.10 -0.63 113.70 113.86 1bhf s SER 164 Ca 0.16 -0.59 -0.09 0.00 1.31 0.00 0.00 55.95 56.74 1bhf s SER 164 Cb -0.00 -0.17 -0.05 0.00 0.21 0.00 0.00 66.02 66.01 1bhf s SER 164 CO 0.03 0.11 0.10 -0.22 0.41 0.00 0.00 173.24 173.67 1bhf s LEU 165 N -1.50 4.06 -0.14 2.44 2.96 0.12 -1.65 118.68 124.97 1bhf s LEU 165 Ca 0.07 0.19 0.02 0.00 -0.22 0.00 0.00 54.13 54.19 1bhf s LEU 165 Cb -0.09 -2.03 0.01 0.00 0.50 0.00 0.00 46.19 44.57 1bhf s LEU 165 CO 0.03 0.21 -0.20 -0.44 -1.32 0.00 0.00 176.35 174.62 1bhf s SER 166 N 0.20 3.26 -0.02 3.68 0.01 -0.05 -0.53 113.70 120.25 1bhf s SER 166 Ca 0.07 -0.57 0.01 0.00 1.31 0.00 0.00 55.95 56.78 1bhf s SER 166 Cb -0.12 -1.48 0.01 0.00 0.21 0.00 0.00 66.02 64.65 1bhf s SER 166 CO -0.01 0.08 -0.04 0.54 0.41 0.00 0.00 173.24 174.22 1bhf s VAL 167 N 0.81 0.44 -0.01 3.43 0.11 0.44 -1.32 120.40 124.31 1bhf s VAL 167 Ca -0.07 -0.15 -0.27 0.00 -2.93 0.00 0.00 61.98 58.56 1bhf s VAL 167 Cb -0.15 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 1bhf s VAL 167 CO -0.01 0.17 0.85 -0.60 -3.33 0.00 0.00 175.10 172.18 1bhf s ARG 168 N 0.43 4.52 0.05 1.54 3.52 0.92 0.27 118.95 130.20 1bhf s ARG 168 Ca -0.05 1.19 0.04 0.00 -0.13 0.00 0.00 55.73 56.78 1bhf s ARG 168 Cb -0.09 -3.43 -0.02 0.00 -1.56 0.00 0.00 34.95 29.85 1bhf s ARG 168 CO -0.00 0.06 -0.12 0.34 -0.81 0.00 0.00 175.30 174.77 1bhf s ASP 169 N 0.68 1.44 -0.25 -2.12 2.15 0.48 -1.53 116.67 117.51 1bhf s ASP 169 Ca 0.45 -0.52 -0.08 0.00 0.43 0.00 0.00 52.55 52.83 1bhf s ASP 169 Cb -0.20 -0.05 -0.03 0.00 -0.30 0.00 0.00 42.92 42.34 1bhf s ASP 169 CO 0.24 -0.06 0.09 0.12 -0.17 0.00 0.00 175.17 175.39 1bhf s PHE 170 N -1.09 3.11 0.48 -5.34 5.36 -1.26 -1.52 117.98 117.72 1bhf s PHE 170 Ca -0.02 -0.32 0.02 0.00 -0.96 0.00 0.00 56.93 55.64 1bhf s PHE 170 Cb -0.09 -2.26 -0.01 0.00 -0.34 0.00 0.00 43.02 40.32 1bhf s PHE 170 CO 0.01 -0.32 0.06 0.16 -1.46 0.00 0.00 175.22 173.67 1bhf s ASP 171 N 1.63 3.65 -0.08 6.13 -4.77 -0.61 -5.01 116.67 117.61 1bhf s ASP 171 Ca 0.06 -1.69 -0.12 0.00 -3.30 0.00 0.00 52.55 47.50 1bhf s ASP 171 Cb -0.15 0.59 -0.09 0.00 -1.09 0.00 0.00 42.92 42.18 1bhf s ASP 171 CO 0.05 -0.92 0.44 -0.61 0.70 0.00 0.00 175.17 174.83 1bhf h GLN 172 N 1.48 -0.18 0.00 2.11 -0.00 -1.99 -3.09 115.11 113.44 1bhf h GLN 172 Ca -0.40 0.01 -0.05 0.00 -0.00 0.00 0.00 58.65 58.21 1bhf h GLN 172 Cb 1.30 0.04 0.00 0.00 0.00 0.00 0.00 27.48 28.83 1bhf h GLN 172 CO 0.66 0.07 -0.21 -0.91 0.00 0.00 0.00 178.83 178.44 1bhf h ASN 173 N -1.01 0.18 1.74 -0.69 4.21 -2.04 -3.34 115.58 114.63 1bhf h ASN 173 Ca -0.02 -0.79 0.00 0.00 1.21 0.00 0.00 56.30 56.70 1bhf h ASN 173 Cb 0.34 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.48 1bhf h ASN 173 CO 0.03 0.95 -0.11 1.56 -1.29 0.00 0.00 177.43 178.57 1bhf h GLN 174 N -0.57 0.00 0.00 0.81 4.20 -2.01 -3.49 115.11 114.05 1bhf h GLN 174 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1bhf h GLN 174 Cb 0.99 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.77 1bhf h GLN 174 CO 0.04 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.61 1bhf n GLY 175 N 1.17 3.01 3.71 3.46 0.00 -1.17 -4.66 105.19 110.71 1bhf n GLY 175 Ca 0.04 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1bhf n GLY 175 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bhf s GLU 176 N 0.00 4.51 0.10 1.61 -1.05 -1.26 -1.57 118.70 121.03 1bhf s GLU 176 Ca 0.00 1.17 -0.08 0.00 -0.15 0.00 0.00 54.97 55.91 1bhf s GLU 176 Cb 0.00 -3.45 -0.00 0.00 -0.44 0.00 0.00 34.13 30.24 1bhf s GLU 176 CO 0.00 0.02 0.19 0.54 0.95 0.00 0.00 175.26 176.96 1bhf s VAL 177 N 0.86 0.14 -0.15 1.83 0.11 -0.58 -5.01 120.40 117.61 1bhf s VAL 177 Ca 0.45 -1.23 -0.01 0.00 -2.93 0.00 0.00 61.98 58.26 1bhf s VAL 177 Cb -0.20 -1.41 -0.02 0.00 -1.53 0.00 0.00 36.38 33.23 1bhf s VAL 177 CO 0.23 -0.62 -0.11 -0.69 -3.33 0.00 0.00 175.10 170.59 1bhf s VAL 178 N -3.88 3.20 -0.12 2.04 1.01 -1.26 -0.39 120.40 121.00 1bhf s VAL 178 Ca 0.07 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 1bhf s VAL 178 Cb 0.05 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 1bhf s VAL 178 CO -0.10 0.51 -0.02 -0.54 0.00 0.00 0.00 175.10 174.96 1bhf s LYS 179 N 0.50 3.29 -0.13 2.72 3.01 0.14 -4.93 119.74 124.34 1bhf s LYS 179 Ca -0.08 -0.46 -0.01 0.00 -1.01 0.00 0.00 55.97 54.42 1bhf s LYS 179 Cb -0.15 -2.85 -0.02 0.00 -1.01 0.00 0.00 37.83 33.80 1bhf s LYS 179 CO 0.04 0.50 -0.12 -1.01 0.51 0.00 0.00 175.35 175.27 1bhf s HIS 180 N -0.32 2.84 -0.02 3.18 3.76 -1.26 -0.42 115.29 123.04 1bhf s HIS 180 Ca 0.06 -0.60 0.07 0.00 -0.15 0.00 0.00 55.06 54.45 1bhf s HIS 180 Cb -0.12 -1.86 -0.02 0.00 1.11 0.00 0.00 32.58 31.69 1bhf s HIS 180 CO 0.02 -0.19 -0.25 0.71 -0.85 0.00 0.00 174.74 174.19 1bhf s TYR 181 N 0.35 2.37 0.09 1.40 1.51 0.31 -4.96 117.35 118.42 1bhf s TYR 181 Ca -0.10 -0.41 -0.27 0.00 -1.01 0.00 0.00 57.07 55.28 1bhf s TYR 181 Cb -0.16 -1.52 -0.06 0.00 -0.11 0.00 0.00 41.96 40.12 1bhf s TYR 181 CO 0.05 -0.01 0.84 0.15 -1.11 0.00 0.00 175.55 175.47 1bhf s LYS 182 N -0.62 4.59 -0.34 -0.62 1.02 -1.26 0.14 119.74 122.65 1bhf s LYS 182 Ca 0.10 1.23 -0.10 0.00 0.02 0.00 0.00 55.97 57.23 1bhf s LYS 182 Cb -0.10 -3.35 0.01 0.00 -0.52 0.00 0.00 37.83 33.87 1bhf s LYS 182 CO -0.01 0.30 0.16 0.42 -0.92 0.00 0.00 175.35 175.31 1bhf s ILE 183 N -0.21 4.46 0.57 2.17 1.01 0.20 -4.66 121.20 124.74 1bhf s ILE 183 Ca 0.41 -0.68 -0.14 0.00 0.00 0.00 0.00 60.65 60.24 1bhf s ILE 183 Cb -0.22 -3.39 -0.06 0.00 0.01 0.00 0.00 42.46 38.81 1bhf s ILE 183 CO 0.26 -0.07 1.01 -0.13 0.00 0.00 0.00 174.94 176.01 1bhf s ARG 184 N 1.56 3.76 -0.13 2.79 3.00 0.07 -3.86 118.95 126.14 1bhf s ARG 184 Ca 0.03 0.86 -0.07 0.00 0.00 0.00 0.00 55.73 56.55 1bhf s ARG 184 Cb -0.18 -2.10 -0.04 0.00 0.00 0.00 0.00 34.95 32.62 1bhf s ARG 184 CO 0.06 -0.44 0.12 -0.80 0.00 0.00 0.00 175.30 174.24 1bhf s ASN 185 N -3.61 6.18 0.02 0.23 0.01 -1.26 -2.35 114.94 114.15 1bhf s ASN 185 Ca 0.57 0.38 -0.20 0.00 -0.71 0.00 0.00 52.86 52.90 1bhf s ASN 185 Cb -0.11 -1.99 -0.06 0.00 0.41 0.00 0.00 41.25 39.51 1bhf s ASN 185 CO 0.43 0.37 0.60 -0.76 -1.51 0.00 0.00 177.10 176.23 1bhf s LEU 186 N -0.80 4.44 0.09 0.60 1.43 0.13 -4.93 118.68 119.64 1bhf s LEU 186 Ca 0.14 1.20 -0.35 0.00 -1.03 0.00 0.00 54.13 54.08 1bhf s LEU 186 Cb -0.12 -2.93 -0.15 0.00 0.03 0.00 0.00 46.19 43.02 1bhf s LEU 186 CO 0.03 0.13 1.52 0.47 0.23 0.00 0.00 176.35 178.73 1bhf n ASP 187 N 2.51 2.51 -1.90 2.29 8.00 -1.26 -0.99 116.55 127.71 1bhf n ASP 187 Ca -0.07 1.09 -0.17 0.00 0.71 0.00 0.00 54.79 56.35 1bhf n ASP 187 Cb 0.51 -1.31 -0.01 0.00 -0.02 0.00 0.00 41.12 40.28 1bhf n ASP 187 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1bhf n ASN 188 N 3.41 -5.00 0.00 -2.24 4.13 -1.26 -4.85 115.26 109.46 1bhf n ASN 188 Ca 0.18 0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.45 1bhf n ASN 188 Cb 0.24 -4.09 0.00 0.00 -1.54 0.00 0.00 39.78 34.39 1bhf n ASN 188 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bhf n GLY 189 N -1.01 2.63 0.00 7.41 0.00 -0.16 -5.18 105.19 108.89 1bhf n GLY 189 Ca -0.20 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1bhf n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bhf n GLY 190 N 1.23 4.06 3.01 -0.02 0.00 -1.25 -4.57 105.19 107.66 1bhf n GLY 190 Ca 0.00 -1.62 -0.11 0.00 0.00 0.00 0.00 46.02 44.29 1bhf n GLY 190 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bhf s PHE 191 N -2.18 0.03 -0.03 1.61 0.08 -0.15 0.20 117.98 117.53 1bhf s PHE 191 Ca 0.00 -0.05 -0.28 0.00 0.12 0.00 0.00 56.93 56.71 1bhf s PHE 191 Cb 0.00 -0.04 0.06 0.00 -0.57 0.00 0.00 43.02 42.47 1bhf s PHE 191 CO 0.00 -0.15 0.63 1.52 -0.10 0.00 0.00 175.22 177.12 1bhf s TYR 192 N -0.73 -0.59 -0.21 0.36 -0.85 -0.99 -0.52 117.35 113.82 1bhf s TYR 192 Ca -0.08 0.97 0.08 0.00 -0.52 0.00 0.00 57.07 57.52 1bhf s TYR 192 Cb -0.05 0.38 -0.19 0.00 0.38 0.00 0.00 41.96 42.48 1bhf s TYR 192 CO 0.00 -0.60 -0.09 -0.89 -1.52 0.00 0.00 175.55 172.46 1bhf n ILE 193 N 0.87 1.31 -4.68 -3.49 5.41 -1.26 -0.75 119.36 116.77 1bhf n ILE 193 Ca -0.19 -0.63 -0.25 0.00 1.00 0.00 0.00 62.75 62.68 1bhf n ILE 193 Cb 0.57 -0.97 -0.16 0.00 -0.71 0.00 0.00 39.64 38.37 1bhf n ILE 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1bhf s SER 194 N -5.82 1.88 0.66 4.38 0.15 -1.26 -4.89 113.70 108.79 1bhf s SER 194 Ca -0.22 -0.31 0.23 0.00 0.70 0.00 0.00 55.95 56.36 1bhf s SER 194 Cb 0.07 -0.66 1.24 0.00 -1.71 0.00 0.00 66.02 64.96 1bhf s SER 194 CO 0.63 0.09 1.70 -0.65 1.20 0.00 0.00 173.24 176.22 1bhf h PRO 195 N 6.55 0.00 -0.04 5.44 0.11 -2.01 -2.65 132.00 139.40 1bhf h PRO 195 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1bhf h PRO 195 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1bhf h PRO 195 CO 0.48 0.00 0.00 2.89 -0.21 0.00 0.00 178.00 181.16 1bhf n ARG 196 N -2.87 1.13 -3.25 1.05 1.85 -1.26 -4.63 116.66 108.68 1bhf n ARG 196 Ca -0.00 -0.20 0.04 0.00 -1.00 0.00 0.00 57.85 56.68 1bhf n ARG 196 Cb 0.57 -1.20 -0.02 0.00 -1.05 0.00 0.00 32.46 30.75 1bhf n ARG 196 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 1bhf s ILE 197 N -1.95 -0.65 0.39 8.89 2.07 -1.00 -5.17 121.20 123.78 1bhf s ILE 197 Ca 0.19 0.00 0.08 0.00 -1.41 0.00 0.00 60.65 59.50 1bhf s ILE 197 Cb 0.09 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.65 1bhf s ILE 197 CO 0.14 0.00 0.33 0.42 -1.91 0.00 0.00 174.94 173.92 1bhf s THR 198 N 2.81 2.87 0.00 4.00 -4.23 -1.26 -4.49 115.64 115.34 1bhf s THR 198 Ca 0.06 -1.39 -0.01 0.00 -1.18 0.00 0.00 61.69 59.16 1bhf s THR 198 Cb -0.11 -3.04 -0.01 0.00 1.34 0.00 0.00 72.50 70.68 1bhf s THR 198 CO -0.16 -0.05 0.02 -0.36 -0.54 0.00 0.00 174.62 173.52 1bhf s PHE 199 N -2.44 0.08 -0.42 3.99 0.08 0.32 -4.98 117.98 114.61 1bhf s PHE 199 Ca 0.45 -0.16 0.26 0.00 0.12 0.00 0.00 56.93 57.60 1bhf s PHE 199 Cb -0.03 -0.07 0.99 0.00 -0.57 0.00 0.00 43.02 43.33 1bhf s PHE 199 CO 0.27 -0.11 1.77 -1.00 -0.10 0.00 0.00 175.22 176.05 1bhf h PRO 200 N 5.37 0.00 -2.75 0.24 0.13 -1.92 -0.38 132.00 132.68 1bhf h PRO 200 Ca -0.28 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.96 1bhf h PRO 200 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 1bhf h PRO 200 CO 0.45 0.00 0.33 0.20 -0.23 0.00 0.00 178.00 178.75 1bhf s GLY 201 N -3.71 -0.11 0.26 1.56 0.00 -1.26 -4.21 107.32 99.85 1bhf s GLY 201 Ca 0.05 -0.19 -0.05 0.00 0.00 0.00 0.00 44.72 44.53 1bhf s GLY 201 CO 0.48 -0.00 1.90 1.41 0.00 0.00 0.00 173.10 176.88 1bhf h LEU 202 N 2.00 1.07 -0.84 0.66 3.38 -1.96 -1.95 115.31 117.67 1bhf h LEU 202 Ca -0.22 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 57.76 1bhf h LEU 202 Cb 1.24 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.65 1bhf h LEU 202 CO 0.25 0.83 0.50 -0.74 0.09 0.00 0.00 178.44 179.38 1bhf h HIS 203 N 1.22 0.92 -0.20 1.13 2.76 -1.99 0.39 115.15 119.40 1bhf h HIS 203 Ca 0.32 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.47 1bhf h HIS 203 Cb -0.03 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.63 1bhf h HIS 203 CO 0.01 0.43 -0.06 0.93 -1.30 0.00 0.00 177.93 177.94 1bhf h GLU 204 N 0.89 0.39 -0.48 5.26 3.07 -1.87 -1.37 114.58 120.47 1bhf h GLU 204 Ca 0.38 -0.15 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 1bhf h GLU 204 Cb 0.26 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1bhf h GLU 204 CO -0.21 0.65 0.32 1.25 -1.40 0.00 0.00 179.01 179.62 1bhf h LEU 205 N 0.10 0.55 -0.52 1.33 6.46 -0.54 -0.37 115.31 122.33 1bhf h LEU 205 Ca 0.05 -0.02 -0.14 0.00 -0.12 0.00 0.00 57.88 57.65 1bhf h LEU 205 Cb 0.51 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1bhf h LEU 205 CO 0.02 0.41 -0.32 0.58 -0.62 0.00 0.00 178.44 178.51 1bhf h VAL 206 N 0.65 1.28 -0.42 1.05 2.07 -0.22 -2.26 116.25 118.39 1bhf h VAL 206 Ca 0.18 -1.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.18 1bhf h VAL 206 Cb -0.07 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1bhf h VAL 206 CO -0.04 0.49 0.11 -0.09 0.02 0.00 0.00 177.57 178.07 1bhf h ARG 207 N 0.73 0.66 0.36 1.57 2.43 -1.06 -1.15 114.38 117.93 1bhf h ARG 207 Ca 0.08 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1bhf h ARG 207 Cb 0.88 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.32 1bhf h ARG 207 CO 0.08 0.67 -0.35 1.25 -1.51 0.00 0.00 179.97 180.11 1bhf h HIS 208 N 0.53 -0.94 0.00 2.20 2.76 -0.93 -2.61 115.15 116.16 1bhf h HIS 208 Ca 0.13 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1bhf h HIS 208 Cb 0.30 0.36 0.00 0.00 1.55 0.00 0.00 27.41 29.62 1bhf h HIS 208 CO 0.02 -0.49 0.00 0.66 -1.30 0.00 0.00 177.93 176.81 1bhf n TYR 209 N -5.46 0.57 -0.01 5.26 4.01 -0.86 -2.15 117.16 118.52 1bhf n TYR 209 Ca -0.10 0.21 -0.18 0.00 -0.16 0.00 0.00 57.90 57.68 1bhf n TYR 209 Cb 0.36 -0.85 -0.09 0.00 -0.31 0.00 0.00 39.34 38.45 1bhf n TYR 209 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1bhf h THR 210 N 0.00 1.33 0.00 -0.72 2.02 -0.85 -1.15 112.91 113.54 1bhf h THR 210 Ca 0.00 -2.01 0.00 0.00 0.77 0.00 0.00 66.41 65.17 1bhf h THR 210 Cb 0.38 2.25 0.00 0.00 -1.74 0.00 0.00 68.15 69.04 1bhf h THR 210 CO 0.00 0.61 -0.43 0.59 0.37 0.00 0.00 175.52 176.66 1bhf n ASN 211 N -4.06 0.44 -3.65 4.18 3.02 -1.03 -4.25 115.26 109.90 1bhf n ASN 211 Ca -0.09 -0.10 -0.10 0.00 -0.03 0.00 0.00 54.58 54.25 1bhf n ASN 211 Cb 0.72 0.13 -0.08 0.00 -0.61 0.00 0.00 39.78 39.94 1bhf n ASN 211 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bhf s ALA 212 N -3.01 -1.65 0.15 5.41 0.00 -0.91 -5.04 121.76 116.69 1bhf s ALA 212 Ca 0.11 2.05 -0.09 0.00 0.00 0.00 0.00 51.96 54.03 1bhf s ALA 212 Cb 0.17 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 1bhf s ALA 212 CO 0.68 -0.33 1.43 0.66 0.00 0.00 0.00 175.76 178.19 1bhf h SER 213 N 6.17 0.86 -6.92 0.00 4.64 -1.83 -3.34 113.55 113.13 1bhf h SER 213 Ca -0.30 -0.47 -0.59 0.00 -0.47 0.00 0.00 61.79 59.96 1bhf h SER 213 Cb 1.19 -0.25 -0.12 0.00 -0.31 0.00 0.00 62.40 62.92 1bhf h SER 213 CO 0.15 1.25 -0.97 -0.67 -0.87 0.00 0.00 176.83 175.71 1bhf n ASP 214 N -3.98 -1.05 0.00 4.97 2.03 -1.26 -1.07 116.55 116.19 1bhf n ASP 214 Ca -0.04 -1.24 0.00 0.00 0.52 0.00 0.00 54.79 54.03 1bhf n ASP 214 Cb 0.63 -1.90 0.00 0.00 -0.72 0.00 0.00 41.12 39.13 1bhf n ASP 214 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bhf n GLY 215 N -2.32 2.23 3.76 0.27 0.00 -1.26 -5.09 105.19 102.78 1bhf n GLY 215 Ca -0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 1bhf n GLY 215 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bhf s LEU 216 N 0.00 2.48 0.39 0.99 1.43 -0.23 -4.96 118.68 118.78 1bhf s LEU 216 Ca 0.00 1.44 0.08 0.00 -1.03 0.00 0.00 54.13 54.62 1bhf s LEU 216 Cb 0.00 -3.98 0.81 0.00 0.03 0.00 0.00 46.19 43.05 1bhf s LEU 216 CO 0.00 -2.29 1.97 0.00 0.23 0.00 0.00 176.35 176.26 1bhf s THR 218 N -5.03 0.00 0.40 0.00 -1.32 -1.26 -5.01 115.64 103.43 1bhf s THR 218 Ca -0.07 -0.97 -0.23 0.00 -1.21 0.00 0.00 61.69 59.21 1bhf s THR 218 Cb 0.16 -1.92 -0.10 0.00 -1.51 0.00 0.00 72.50 69.13 1bhf s THR 218 CO 0.73 -0.01 0.97 -0.13 -2.21 0.00 0.00 174.62 173.98 1bhf s ARG 219 N -3.92 4.29 0.10 7.08 0.52 -1.26 -4.65 118.95 121.11 1bhf s ARG 219 Ca 0.12 1.28 -0.31 0.00 -0.52 0.00 0.00 55.73 56.30 1bhf s ARG 219 Cb -0.04 -2.44 -0.07 0.00 0.52 0.00 0.00 34.95 32.92 1bhf s ARG 219 CO 0.05 0.01 1.25 -0.51 0.02 0.00 0.00 175.30 176.12 1bhf s LEU 220 N -2.75 4.38 0.00 2.53 1.43 -0.44 -4.49 118.68 119.35 1bhf s LEU 220 Ca 0.58 2.14 0.00 0.00 -1.03 0.00 0.00 54.13 55.82 1bhf s LEU 220 Cb -0.15 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1bhf s LEU 220 CO 0.20 -0.50 0.00 -0.24 0.23 0.00 0.00 176.35 176.04 1bhf n SER 221 N 3.66 0.00 -4.71 2.29 2.88 0.96 -4.37 113.62 114.34 1bhf n SER 221 Ca 0.09 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.30 1bhf n SER 221 Cb 0.45 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.83 1bhf n SER 221 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1bhf s ARG 222 N 0.41 2.84 0.77 -1.46 0.52 -1.22 -4.99 118.95 115.83 1bhf s ARG 222 Ca 0.00 -0.59 -0.12 0.00 -0.52 0.00 0.00 55.73 54.50 1bhf s ARG 222 Cb 0.00 -2.71 0.06 0.00 0.52 0.00 0.00 34.95 32.82 1bhf s ARG 222 CO 0.00 0.63 1.12 -1.25 0.02 0.00 0.00 175.30 175.82 1bhf s PRO 223 N -1.63 2.11 0.14 3.54 0.04 -1.26 -2.08 135.00 135.86 1bhf s PRO 223 Ca 0.21 1.39 -0.32 0.00 0.04 0.00 0.00 61.00 62.31 1bhf s PRO 223 Cb -0.12 -1.86 -0.12 0.00 0.04 0.00 0.00 34.50 32.44 1bhf s PRO 223 CO 0.11 -1.79 1.76 0.00 0.04 0.00 0.00 177.00 177.13 1bhf s GLN 225 N 1.98 4.12 0.00 0.00 -1.52 -1.26 -4.90 119.66 118.09 1bhf s GLN 225 Ca 0.80 0.43 0.05 0.00 -1.95 0.00 0.00 55.36 54.69 1bhf s GLN 225 Cb -0.54 -3.32 0.04 0.00 -0.22 0.00 0.00 33.01 28.98 1bhf s GLN 225 CO 0.37 0.46 0.66 0.25 -0.25 0.00 0.00 175.29 176.78