#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bjx s ALA 120 N 0.00 0.67 0.44 0.00 0.00 -1.26 -4.91 121.76 116.70 1bjx s ALA 120 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.94 1bjx s ALA 120 Cb 0.00 -3.24 -0.00 0.00 0.00 0.00 0.00 23.12 19.88 1bjx s ALA 120 CO 0.00 -3.06 0.65 -0.08 0.00 0.00 0.00 175.76 173.27 1bjx s THR 121 N -2.72 3.96 -0.42 0.00 -1.32 0.32 -4.86 115.64 110.60 1bjx s THR 121 Ca 0.66 -0.57 -0.11 0.00 -1.21 0.00 0.00 61.69 60.46 1bjx s THR 121 Cb -0.21 -3.45 0.06 0.00 -1.51 0.00 0.00 72.50 67.39 1bjx s THR 121 CO 0.60 -0.30 0.27 -0.89 -2.21 0.00 0.00 174.62 172.10 1bjx s THR 122 N -2.51 4.54 -0.05 5.08 2.01 -1.26 -0.82 115.64 122.63 1bjx s THR 122 Ca 0.48 -1.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.01 1bjx s THR 122 Cb -0.10 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1bjx s THR 122 CO 0.37 -0.45 1.31 -0.76 -0.69 0.00 0.00 174.62 174.40 1bjx s LEU 123 N 1.51 4.28 0.48 4.42 1.43 -1.11 -4.89 118.68 124.80 1bjx s LEU 123 Ca 0.03 1.93 0.27 0.00 -1.03 0.00 0.00 54.13 55.34 1bjx s LEU 123 Cb -0.22 -3.56 1.10 0.00 0.03 0.00 0.00 46.19 43.54 1bjx s LEU 123 CO 0.04 -0.68 1.89 1.55 0.23 0.00 0.00 176.35 179.39 1bjx h PRO 124 N 7.80 0.00 0.00 1.29 0.13 -1.97 -3.46 132.00 135.79 1bjx h PRO 124 Ca -0.35 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.83 1bjx h PRO 124 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1bjx h PRO 124 CO 0.90 0.14 0.12 -0.40 -0.23 0.00 0.00 178.00 178.53 1bjx n ASP 125 N -3.30 -0.12 0.14 1.44 5.68 -1.26 -4.98 116.55 114.15 1bjx n ASP 125 Ca 0.00 -1.00 0.06 0.00 -0.50 0.00 0.00 54.79 53.35 1bjx n ASP 125 Cb 0.38 0.17 0.53 0.00 -1.14 0.00 0.00 41.12 41.06 1bjx n ASP 125 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1bjx h GLY 126 N 0.23 0.27 0.42 6.12 0.00 -1.92 -1.65 103.07 106.52 1bjx h GLY 126 Ca -0.02 -0.10 0.21 0.00 0.00 0.00 0.00 47.33 47.42 1bjx h GLY 126 CO 0.03 0.10 0.57 0.00 0.00 0.00 0.00 176.54 177.24 1bjx h ALA 127 N 1.87 2.53 0.17 3.60 0.00 -1.98 -0.66 119.26 124.79 1bjx h ALA 127 Ca 0.07 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.64 1bjx h ALA 127 Cb -0.01 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1bjx h ALA 127 CO -0.01 -0.77 -1.57 0.00 0.00 0.00 0.00 179.25 176.90 1bjx h ALA 128 N 1.61 0.12 -0.85 0.00 0.00 -1.70 -2.60 119.26 115.85 1bjx h ALA 128 Ca 0.40 -1.05 0.21 0.00 0.00 0.00 0.00 54.91 54.48 1bjx h ALA 128 Cb 1.34 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 19.38 1bjx h ALA 128 CO -0.07 0.99 0.58 0.00 0.00 0.00 0.00 179.25 180.75 1bjx h ALA 129 N 0.30 2.45 0.04 0.00 0.00 -1.06 0.85 119.26 121.84 1bjx h ALA 129 Ca -0.27 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.35 1bjx h ALA 129 Cb 2.08 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.85 1bjx h ALA 129 CO 0.20 -0.70 -1.54 0.39 0.00 0.00 0.00 179.25 177.60 1bjx n GLU 130 N -4.41 0.63 0.25 0.00 1.02 -1.07 -3.54 120.64 113.52 1bjx n GLU 130 Ca 0.18 0.47 0.10 0.00 -0.02 0.00 0.00 57.16 57.88 1bjx n GLU 130 Cb 0.76 -1.73 0.64 0.00 -0.02 0.00 0.00 31.44 31.09 1bjx n GLU 130 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1bjx h SER 131 N -0.64 0.00 0.47 1.62 0.87 -1.01 -2.74 113.55 112.12 1bjx h SER 131 Ca -0.38 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.15 1bjx h SER 131 Cb 1.56 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.52 1bjx h SER 131 CO -0.12 0.15 -0.22 0.25 -0.53 0.00 0.00 176.83 176.36 1bjx h LEU 132 N 0.00 -0.53 -1.86 2.23 6.46 0.57 -3.08 115.31 119.10 1bjx h LEU 132 Ca -0.00 0.02 0.24 0.00 -0.12 0.00 0.00 57.88 58.01 1bjx h LEU 132 Cb 0.32 0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.36 1bjx h LEU 132 CO 0.02 -0.13 0.71 0.58 -0.62 0.00 0.00 178.44 179.01 1bjx h VAL 133 N -1.14 0.36 -0.17 1.05 2.07 -1.59 1.13 116.25 117.97 1bjx h VAL 133 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1bjx h VAL 133 Cb 0.48 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1bjx h VAL 133 CO 0.11 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.08 1bjx n GLU 134 N -3.88 1.50 0.00 1.57 1.02 -1.04 -3.71 120.64 116.10 1bjx n GLU 134 Ca 0.17 -0.76 -0.04 0.00 -0.02 0.00 0.00 57.16 56.51 1bjx n GLU 134 Cb 1.00 -1.27 -0.11 0.00 -0.02 0.00 0.00 31.44 31.04 1bjx n GLU 134 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1bjx n SER 135 N 0.05 0.86 -4.00 1.62 2.88 0.39 -4.98 113.62 110.44 1bjx n SER 135 Ca 0.11 0.39 -0.10 0.00 -1.33 0.00 0.00 58.87 57.95 1bjx n SER 135 Cb 0.21 0.06 -0.07 0.00 -0.75 0.00 0.00 64.21 63.67 1bjx n SER 135 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1bjx s SER 136 N -5.92 0.02 0.13 -3.46 1.04 -1.24 -5.01 113.70 99.25 1bjx s SER 136 Ca -0.04 -0.95 0.16 0.00 0.48 0.00 0.00 55.95 55.61 1bjx s SER 136 Cb 0.08 0.47 0.72 0.00 0.10 0.00 0.00 66.02 67.39 1bjx s SER 136 CO 0.82 -0.95 1.51 1.21 0.98 0.00 0.00 173.24 176.81 1bjx n GLU 137 N -0.27 0.08 -4.03 4.02 2.13 -1.26 -4.69 120.64 116.63 1bjx n GLU 137 Ca -0.05 0.39 -0.11 0.00 0.66 0.00 0.00 57.16 58.05 1bjx n GLU 137 Cb 0.63 -1.68 -0.11 0.00 0.27 0.00 0.00 31.44 30.55 1bjx n GLU 137 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1bjx s VAL 138 N -3.17 0.35 -0.28 6.31 1.01 -1.26 -3.25 120.40 120.10 1bjx s VAL 138 Ca 0.04 -1.06 -0.26 0.00 0.00 0.00 0.00 61.98 60.70 1bjx s VAL 138 Cb 0.08 -0.53 0.16 0.00 0.00 0.00 0.00 36.38 36.09 1bjx s VAL 138 CO 0.27 -0.47 1.27 0.00 0.00 0.00 0.00 175.10 176.16 1bjx s ALA 139 N -1.58 -2.11 0.06 5.51 0.00 -0.39 -4.36 121.76 118.90 1bjx s ALA 139 Ca -0.11 1.76 0.05 0.00 0.00 0.00 0.00 51.96 53.66 1bjx s ALA 139 Cb -0.09 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.45 1bjx s ALA 139 CO -0.01 -0.18 -0.15 0.54 0.00 0.00 0.00 175.76 175.97 1bjx s VAL 140 N -0.13 1.19 -0.14 0.00 0.11 -1.25 0.16 120.40 120.34 1bjx s VAL 140 Ca 0.05 -1.21 -0.03 0.00 -2.93 0.00 0.00 61.98 57.87 1bjx s VAL 140 Cb -0.04 -1.11 0.05 0.00 -1.53 0.00 0.00 36.38 33.75 1bjx s VAL 140 CO -0.10 -0.11 0.05 -0.63 -3.33 0.00 0.00 175.10 170.98 1bjx s ILE 141 N -1.08 0.21 0.03 7.04 1.09 -1.13 -1.31 121.20 126.05 1bjx s ILE 141 Ca 0.00 -0.15 -0.29 0.00 -1.10 0.00 0.00 60.65 59.12 1bjx s ILE 141 Cb -0.09 -0.65 -0.04 0.00 -1.06 0.00 0.00 42.46 40.61 1bjx s ILE 141 CO 0.02 -0.08 0.93 -0.83 -0.10 0.00 0.00 174.94 174.89 1bjx s GLY 142 N 2.02 2.91 -1.06 6.18 0.00 -0.47 -3.74 107.32 113.14 1bjx s GLY 142 Ca 0.02 0.50 -0.06 0.00 0.00 0.00 0.00 44.72 45.18 1bjx s GLY 142 CO -0.07 1.53 1.19 0.69 0.00 0.00 0.00 173.10 176.45 1bjx n PHE 143 N 3.48 4.08 -3.58 1.90 3.01 0.30 -2.95 117.46 123.70 1bjx n PHE 143 Ca 0.04 -3.50 -0.35 0.00 1.01 0.00 0.00 57.45 54.65 1bjx n PHE 143 Cb 0.50 -1.45 -0.05 0.00 -0.01 0.00 0.00 39.48 38.47 1bjx n PHE 143 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1bjx s PHE 144 N -1.86 3.60 -0.10 1.38 0.08 -1.12 -2.40 117.98 117.56 1bjx s PHE 144 Ca 0.31 0.80 0.16 0.00 0.12 0.00 0.00 56.93 58.32 1bjx s PHE 144 Cb -0.04 -2.16 -0.16 0.00 -0.57 0.00 0.00 43.02 40.09 1bjx s PHE 144 CO -0.02 0.54 0.79 0.36 -0.10 0.00 0.00 175.22 176.79 1bjx n LYS 145 N 1.04 0.62 -3.44 0.44 2.85 -1.26 -3.49 118.16 114.93 1bjx n LYS 145 Ca -0.09 0.25 -0.26 0.00 -1.05 0.00 0.00 58.31 57.15 1bjx n LYS 145 Cb 0.52 -1.81 -0.09 0.00 -0.65 0.00 0.00 35.03 33.00 1bjx n LYS 145 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1bjx n ASP 146 N -2.94 0.80 0.11 -5.58 5.68 -1.26 -4.89 116.55 108.48 1bjx n ASP 146 Ca -0.12 -2.73 0.19 0.00 -0.50 0.00 0.00 54.79 51.63 1bjx n ASP 146 Cb 0.90 -0.63 0.62 0.00 -1.14 0.00 0.00 41.12 40.88 1bjx n ASP 146 CO 0.00 0.00 0.00 -0.37 -1.33 0.00 0.00 177.20 175.50 1bjx h VAL 147 N 3.74 0.16 -0.00 2.12 -1.51 -1.96 0.66 116.25 119.46 1bjx h VAL 147 Ca 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.66 1bjx h VAL 147 Cb 0.85 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 1bjx h VAL 147 CO 0.51 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 176.23 1bjx n GLU 148 N -3.29 1.00 0.00 5.19 1.02 -1.26 -4.26 120.64 119.05 1bjx n GLU 148 Ca 0.08 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1bjx n GLU 148 Cb 0.79 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 1bjx n GLU 148 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1bjx n SER 149 N -0.75 -0.06 0.05 1.62 3.41 0.23 -4.97 113.62 113.15 1bjx n SER 149 Ca 0.12 -0.50 0.04 0.00 -0.26 0.00 0.00 58.87 58.28 1bjx n SER 149 Cb 0.06 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.95 1bjx n SER 149 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1bjx n ASP 150 N -1.58 0.78 0.21 4.04 5.75 -1.26 -3.84 116.55 120.66 1bjx n ASP 150 Ca 0.00 0.33 0.12 0.00 -0.01 0.00 0.00 54.79 55.23 1bjx n ASP 150 Cb 0.00 0.40 0.17 0.00 -1.03 0.00 0.00 41.12 40.66 1bjx n ASP 150 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1bjx h SER 151 N 0.00 0.00 0.63 -1.12 0.02 -1.91 -3.28 113.55 107.90 1bjx h SER 151 Ca -0.11 -0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.57 1bjx h SER 151 Cb 1.36 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.88 1bjx h SER 151 CO 0.03 0.00 -1.40 0.00 -1.14 0.00 0.00 176.83 174.31 1bjx h ALA 152 N 2.02 0.42 -0.84 3.77 0.00 -1.78 -3.32 119.26 119.53 1bjx h ALA 152 Ca 0.00 -1.13 0.03 0.00 0.00 0.00 0.00 54.91 53.81 1bjx h ALA 152 Cb 0.99 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1bjx h ALA 152 CO 0.00 1.28 0.55 0.87 0.00 0.00 0.00 179.25 181.95 1bjx h LYS 153 N 0.03 1.01 -0.20 0.00 1.57 -1.66 -2.36 116.57 114.96 1bjx h LYS 153 Ca -0.18 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 1bjx h LYS 153 Cb 1.94 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 34.01 1bjx h LYS 153 CO 0.13 0.67 0.08 1.96 -0.57 0.00 0.00 179.45 181.72 1bjx h GLN 154 N 1.04 0.30 -0.06 3.15 1.08 -1.68 -2.64 115.11 116.31 1bjx h GLN 154 Ca 0.33 -0.06 0.04 0.00 -1.45 0.00 0.00 58.65 57.51 1bjx h GLN 154 Cb 0.02 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.35 1bjx h GLN 154 CO -0.10 0.37 -0.30 0.35 -0.95 0.00 0.00 178.83 178.21 1bjx h PHE 155 N 0.17 -0.81 -0.31 2.96 3.57 -1.54 -0.60 116.94 120.38 1bjx h PHE 155 Ca 0.07 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.66 1bjx h PHE 155 Cb 0.19 0.36 -0.08 0.00 2.79 0.00 0.00 35.95 39.21 1bjx h PHE 155 CO -0.01 -0.38 -0.34 -0.07 -2.23 0.00 0.00 178.31 175.28 1bjx h LEU 156 N -0.41 -1.11 -1.24 0.59 3.38 -1.39 0.24 115.31 115.36 1bjx h LEU 156 Ca 0.08 0.18 0.14 0.00 0.09 0.00 0.00 57.88 58.37 1bjx h LEU 156 Cb 0.52 0.50 -0.07 0.00 0.09 0.00 0.00 40.66 41.70 1bjx h LEU 156 CO -0.29 -0.34 0.58 1.56 0.09 0.00 0.00 178.44 180.04 1bjx h GLN 157 N -0.32 0.72 0.20 1.13 4.20 -1.06 0.03 115.11 120.01 1bjx h GLN 157 Ca 0.14 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1bjx h GLN 157 Cb 0.55 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1bjx h GLN 157 CO -0.48 0.48 -0.10 0.00 -0.67 0.00 0.00 178.83 178.06 1bjx h ALA 158 N 1.59 -0.27 -0.74 3.87 0.00 0.92 -2.33 119.26 122.30 1bjx h ALA 158 Ca 0.45 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.32 1bjx h ALA 158 Cb 0.67 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1bjx h ALA 158 CO -0.21 -0.50 0.49 0.00 0.00 0.00 0.00 179.25 179.02 1bjx h ALA 159 N 0.16 1.94 -0.02 0.00 0.00 0.09 0.20 119.26 121.63 1bjx h ALA 159 Ca -0.03 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1bjx h ALA 159 Cb 0.42 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1bjx h ALA 159 CO 0.05 -0.11 -0.27 0.93 0.00 0.00 0.00 179.25 179.84 1bjx h GLU 160 N 0.55 0.03 -0.10 0.00 4.39 -0.74 -2.89 114.58 115.82 1bjx h GLU 160 Ca 0.35 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1bjx h GLU 160 Cb 0.62 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1bjx h GLU 160 CO -0.12 0.30 0.07 0.00 -1.16 0.00 0.00 179.01 178.09 1bjx h ALA 161 N 1.70 0.13 -2.71 3.43 0.00 -0.06 -3.42 119.26 118.33 1bjx h ALA 161 Ca 0.00 -0.01 -0.58 0.00 0.00 0.00 0.00 54.91 54.32 1bjx h ALA 161 Cb 0.49 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1bjx h ALA 161 CO 0.04 -0.38 -0.31 0.42 0.00 0.00 0.00 179.25 179.02 1bjx s ILE 162 N -6.15 5.16 0.00 0.00 1.01 -1.09 -5.00 121.20 115.13 1bjx s ILE 162 Ca -0.13 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.59 1bjx s ILE 162 Cb 0.07 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.92 1bjx s ILE 162 CO 0.68 0.06 0.78 0.47 0.00 0.00 0.00 174.94 176.93 1bjx n ASP 163 N 0.16 1.26 -0.00 3.58 9.92 -1.26 -4.71 116.55 125.50 1bjx n ASP 163 Ca -0.03 -1.60 0.05 0.00 -0.53 0.00 0.00 54.79 52.68 1bjx n ASP 163 Cb 0.52 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.92 1bjx n ASP 163 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1bjx n ASP 164 N -0.30 2.05 -4.76 -2.24 2.03 -1.26 -4.97 116.55 107.11 1bjx n ASP 164 Ca 0.00 -0.20 -0.38 0.00 0.52 0.00 0.00 54.79 54.73 1bjx n ASP 164 Cb 0.31 1.34 -0.06 0.00 -0.72 0.00 0.00 41.12 41.99 1bjx n ASP 164 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1bjx s ILE 165 N -2.50 5.08 -1.00 5.18 -1.09 -1.26 -4.96 121.20 120.65 1bjx s ILE 165 Ca -0.02 1.00 -0.19 0.00 -2.23 0.00 0.00 60.65 59.21 1bjx s ILE 165 Cb 0.07 -3.82 -0.09 0.00 -1.58 0.00 0.00 42.46 37.03 1bjx s ILE 165 CO 0.42 0.41 2.04 -0.81 -1.23 0.00 0.00 174.94 175.77 1bjx n PRO 166 N 3.03 1.96 -1.86 2.79 -0.04 -1.26 -4.92 135.00 134.69 1bjx n PRO 166 Ca -0.09 -2.07 -0.42 0.00 -0.04 0.00 0.00 63.50 60.88 1bjx n PRO 166 Cb 0.52 -3.02 -0.03 0.00 -0.04 0.00 0.00 33.50 30.93 1bjx n PRO 166 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1bjx s PHE 167 N 4.36 2.06 0.11 0.54 0.40 -1.26 -3.89 117.98 120.30 1bjx s PHE 167 Ca 0.54 0.09 0.08 0.00 -0.60 0.00 0.00 56.93 57.04 1bjx s PHE 167 Cb 0.14 -4.04 -0.04 0.00 0.51 0.00 0.00 43.02 39.59 1bjx s PHE 167 CO 0.05 -4.35 -0.20 0.20 0.70 0.00 0.00 175.22 171.62 1bjx s GLY 168 N 3.05 1.26 0.01 4.36 0.00 -0.42 0.12 107.32 115.69 1bjx s GLY 168 Ca 0.78 -1.29 -0.03 0.00 0.00 0.00 0.00 44.72 44.18 1bjx s GLY 168 CO 0.34 -1.30 0.04 -1.50 0.00 0.00 0.00 173.10 170.68 1bjx s ILE 169 N -1.35 0.08 0.01 0.90 2.07 0.00 -1.37 121.20 121.55 1bjx s ILE 169 Ca 0.08 -0.68 -0.28 0.00 -1.41 0.00 0.00 60.65 58.37 1bjx s ILE 169 Cb -0.09 -0.29 0.09 0.00 0.13 0.00 0.00 42.46 42.31 1bjx s ILE 169 CO 0.05 -0.37 0.81 0.28 -1.91 0.00 0.00 174.94 173.79 1bjx s THR 170 N -1.17 0.00 0.00 4.00 -1.32 -1.15 -2.77 115.64 113.23 1bjx s THR 170 Ca -0.13 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 1bjx s THR 170 Cb -0.08 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.91 1bjx s THR 170 CO 0.00 0.00 0.53 -0.24 -2.21 0.00 0.00 174.62 172.70 1bjx n SER 171 N -0.05 1.02 -4.66 8.08 2.88 -1.23 -2.80 113.62 116.86 1bjx n SER 171 Ca -0.12 -1.19 -0.42 0.00 -1.33 0.00 0.00 58.87 55.81 1bjx n SER 171 Cb 0.62 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.05 1bjx n SER 171 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1bjx s ASN 172 N -0.19 6.47 0.55 -3.46 2.47 -1.26 -4.82 114.94 114.69 1bjx s ASN 172 Ca 0.00 2.65 0.31 0.00 0.42 0.00 0.00 52.86 56.23 1bjx s ASN 172 Cb 0.00 -2.54 1.47 0.00 -1.45 0.00 0.00 41.25 38.74 1bjx s ASN 172 CO 0.00 -1.03 1.89 0.77 -3.72 0.00 0.00 177.10 175.01 1bjx h SER 173 N 10.20 0.00 -0.72 -4.21 4.64 -1.98 0.47 113.55 121.96 1bjx h SER 173 Ca -0.48 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.91 1bjx h SER 173 Cb 1.23 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.26 1bjx h SER 173 CO 0.94 0.00 0.41 -0.78 -0.87 0.00 0.00 176.83 176.53 1bjx h ASP 174 N 0.00 0.59 0.85 4.97 1.82 -1.99 0.20 116.42 122.86 1bjx h ASP 174 Ca 0.39 0.04 -0.08 0.00 -0.39 0.00 0.00 57.03 56.98 1bjx h ASP 174 Cb 1.62 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 41.53 1bjx h ASP 174 CO -0.00 0.37 -0.39 0.58 -1.61 0.00 0.00 179.24 178.19 1bjx h VAL 175 N 0.73 0.91 0.13 2.25 2.07 -1.26 -2.71 116.25 118.36 1bjx h VAL 175 Ca 0.33 -1.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 1bjx h VAL 175 Cb 0.24 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1bjx h VAL 175 CO -0.21 0.38 -0.06 -0.26 0.02 0.00 0.00 177.57 177.45 1bjx h PHE 176 N 0.00 -0.16 -0.01 1.57 -1.00 -0.86 -3.23 116.94 113.26 1bjx h PHE 176 Ca -0.00 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1bjx h PHE 176 Cb 0.92 0.05 -0.00 0.00 3.61 0.00 0.00 35.95 40.53 1bjx h PHE 176 CO 0.00 0.25 0.03 1.03 -1.61 0.00 0.00 178.31 178.01 1bjx h SER 177 N -0.94 0.00 0.61 2.17 0.87 -0.75 -2.49 113.55 113.01 1bjx h SER 177 Ca -0.02 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 1bjx h SER 177 Cb 0.48 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1bjx h SER 177 CO 0.03 0.00 -0.29 0.50 -0.53 0.00 0.00 176.83 176.54 1bjx h LYS 178 N 0.00 -0.79 -0.52 2.24 3.64 -1.49 -2.64 116.57 117.02 1bjx h LYS 178 Ca 0.00 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1bjx h LYS 178 Cb 0.06 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1bjx h LYS 178 CO -0.00 -0.52 0.00 0.66 -2.27 0.00 0.00 179.45 177.32 1bjx n TYR 179 N -5.43 0.69 -3.50 1.91 4.01 -1.05 -4.93 117.16 108.85 1bjx n TYR 179 Ca -0.13 -0.28 -0.21 0.00 -0.16 0.00 0.00 57.90 57.11 1bjx n TYR 179 Cb 0.34 -0.11 0.03 0.00 -0.31 0.00 0.00 39.34 39.29 1bjx n TYR 179 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1bjx n GLN 180 N 0.47 -1.42 -3.46 -0.72 6.02 -0.96 -4.94 117.38 112.38 1bjx n GLN 180 Ca 0.13 0.79 -0.38 0.00 -0.01 0.00 0.00 57.00 57.53 1bjx n GLN 180 Cb 0.46 -4.42 -0.08 0.00 1.02 0.00 0.00 30.24 27.22 1bjx n GLN 180 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1bjx s LEU 181 N -5.54 4.12 0.40 1.08 1.43 -1.09 -4.93 118.68 114.15 1bjx s LEU 181 Ca 0.29 0.37 0.27 0.00 -1.03 0.00 0.00 54.13 54.04 1bjx s LEU 181 Cb -0.09 -2.39 1.44 0.00 0.03 0.00 0.00 46.19 45.18 1bjx s LEU 181 CO 0.83 -0.06 1.84 0.44 0.23 0.00 0.00 176.35 179.62 1bjx h ASP 182 N 7.55 0.00 0.00 2.29 3.32 -1.92 -3.46 116.42 124.19 1bjx h ASP 182 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1bjx h ASP 182 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1bjx h ASP 182 CO 0.69 0.00 0.00 2.29 -1.72 0.00 0.00 179.24 180.50 1bjx n LYS 183 N -2.47 0.00 -2.59 3.56 2.85 -1.26 -5.15 118.16 113.10 1bjx n LYS 183 Ca -0.01 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.97 1bjx n LYS 183 Cb 0.07 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.45 1bjx n LYS 183 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1bjx s ASP 184 N 2.00 6.27 0.00 -5.58 1.47 -1.26 -4.97 116.67 114.60 1bjx s ASP 184 Ca 0.00 0.97 0.00 0.00 1.18 0.00 0.00 52.55 54.70 1bjx s ASP 184 Cb 0.00 -2.27 0.00 0.00 -0.34 0.00 0.00 42.92 40.31 1bjx s ASP 184 CO 0.00 -0.59 0.00 0.61 0.68 0.00 0.00 175.17 175.87 1bjx n GLY 185 N -2.26 -1.02 2.81 2.12 0.00 -1.01 -5.00 105.19 100.83 1bjx n GLY 185 Ca 0.01 -1.06 -0.24 0.00 0.00 0.00 0.00 46.02 44.73 1bjx n GLY 185 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bjx s VAL 186 N -2.00 0.57 0.28 1.61 -7.23 -1.26 -0.54 120.40 111.83 1bjx s VAL 186 Ca 0.00 -0.00 0.09 0.00 -1.81 0.00 0.00 61.98 60.25 1bjx s VAL 186 Cb 0.00 -0.68 -0.06 0.00 0.56 0.00 0.00 36.38 36.20 1bjx s VAL 186 CO 0.00 0.29 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.28 1bjx s VAL 187 N 1.87 2.00 0.09 1.32 1.01 -1.25 -2.73 120.40 122.71 1bjx s VAL 187 Ca 0.05 -2.23 0.07 0.00 0.00 0.00 0.00 61.98 59.87 1bjx s VAL 187 Cb -0.12 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1bjx s VAL 187 CO -0.06 -0.35 -0.11 -0.22 0.00 0.00 0.00 175.10 174.36 1bjx s LEU 188 N -3.48 2.98 -0.18 3.92 0.20 -1.26 -2.83 118.68 118.02 1bjx s LEU 188 Ca 0.29 -0.38 0.01 0.00 0.69 0.00 0.00 54.13 54.74 1bjx s LEU 188 Cb 0.01 -1.77 0.03 0.00 -0.43 0.00 0.00 46.19 44.03 1bjx s LEU 188 CO 0.13 0.20 -0.13 -0.36 -0.29 0.00 0.00 176.35 175.89 1bjx s PHE 189 N -1.15 2.42 0.20 5.38 0.40 0.43 -3.47 117.98 122.18 1bjx s PHE 189 Ca 0.20 -1.49 0.02 0.00 -0.60 0.00 0.00 56.93 55.05 1bjx s PHE 189 Cb -0.11 -1.68 -0.05 0.00 0.51 0.00 0.00 43.02 41.69 1bjx s PHE 189 CO 0.12 -0.73 0.03 -1.59 0.70 0.00 0.00 175.22 173.74 1bjx s LYS 190 N 1.40 1.20 0.17 0.44 -2.85 -0.93 -1.26 119.74 117.90 1bjx s LYS 190 Ca 0.02 -1.60 0.20 0.00 -1.00 0.00 0.00 55.97 53.59 1bjx s LYS 190 Cb -0.15 -0.29 -0.03 0.00 -2.06 0.00 0.00 37.83 35.31 1bjx s LYS 190 CO -0.10 -0.17 1.02 0.87 0.10 0.00 0.00 175.35 177.07 1bjx h LYS 191 N 2.60 0.00 0.00 1.78 1.57 -1.86 -3.41 116.57 117.26 1bjx h LYS 191 Ca -0.37 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.30 1bjx h LYS 191 Cb 1.22 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.55 1bjx h LYS 191 CO 0.62 0.15 0.04 1.97 -0.57 0.00 0.00 179.45 181.66 1bjx n PHE 192 N -2.83 -3.36 -1.80 -1.35 1.16 -1.26 -4.87 117.46 103.13 1bjx n PHE 192 Ca -0.03 -0.40 0.00 0.00 -1.87 0.00 0.00 57.45 55.14 1bjx n PHE 192 Cb 0.68 -0.18 0.00 0.00 -1.61 0.00 0.00 39.48 38.37 1bjx n PHE 192 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 1bjx n ASP 193 N -3.01 -1.02 0.07 5.98 8.00 -1.26 -3.26 116.55 122.05 1bjx n ASP 193 Ca 0.04 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.42 1bjx n ASP 193 Cb 0.14 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.19 1bjx n ASP 193 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1bjx h GLU 194 N 0.00 -0.36 0.00 -1.24 4.57 -1.94 -3.47 114.58 112.13 1bjx h GLU 194 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1bjx h GLU 194 Cb 0.00 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1bjx h GLU 194 CO 0.00 -0.24 0.00 0.41 -1.18 0.00 0.00 179.01 178.00 1bjx n GLY 195 N -1.35 3.98 3.59 1.92 0.00 -1.20 -5.07 105.19 107.05 1bjx n GLY 195 Ca -0.05 -0.65 -0.27 0.00 0.00 0.00 0.00 46.02 45.05 1bjx n GLY 195 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bjx s ARG 196 N 0.00 1.92 0.00 1.61 0.52 -1.26 -2.20 118.95 119.53 1bjx s ARG 196 Ca 0.00 -2.12 0.00 0.00 -0.52 0.00 0.00 55.73 53.09 1bjx s ARG 196 Cb 0.00 -1.26 0.00 0.00 0.52 0.00 0.00 34.95 34.21 1bjx s ARG 196 CO 0.00 -0.21 0.00 0.09 0.02 0.00 0.00 175.30 175.20 1bjx n ASN 197 N -0.99 0.04 -2.67 0.23 3.02 -1.23 -4.94 115.26 108.71 1bjx n ASN 197 Ca -0.07 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.44 1bjx n ASN 197 Cb 0.67 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.88 1bjx n ASN 197 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1bjx n ASN 198 N 0.00 -1.51 -4.66 6.41 0.23 -1.26 -4.76 115.26 109.71 1bjx n ASN 198 Ca 0.00 -1.32 -0.53 0.00 -0.53 0.00 0.00 54.58 52.20 1bjx n ASN 198 Cb 0.00 0.78 -0.06 0.00 -2.08 0.00 0.00 39.78 38.42 1bjx n ASN 198 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 1bjx n PHE 199 N 2.24 2.11 -3.76 -2.53 7.35 -1.11 -4.91 117.46 116.86 1bjx n PHE 199 Ca 0.09 0.27 -0.36 0.00 -0.76 0.00 0.00 57.45 56.69 1bjx n PHE 199 Cb 0.66 -2.56 -0.11 0.00 0.35 0.00 0.00 39.48 37.83 1bjx n PHE 199 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1bjx s GLU 200 N 4.18 2.25 0.00 -4.13 2.02 -1.26 -4.66 118.70 117.11 1bjx s GLU 200 Ca 0.98 -2.19 0.00 0.00 0.02 0.00 0.00 54.97 53.78 1bjx s GLU 200 Cb -0.88 -3.63 0.00 0.00 0.10 0.00 0.00 34.13 29.72 1bjx s GLU 200 CO 0.58 -1.12 0.00 0.41 0.02 0.00 0.00 175.26 175.15 1bjx n GLY 201 N 4.00 -1.92 3.75 -1.39 0.00 -1.26 -5.11 105.19 103.26 1bjx n GLY 201 Ca 0.03 -1.22 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 1bjx n GLY 201 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bjx s GLU 202 N -1.85 4.15 -0.55 1.61 8.01 -1.26 -4.94 118.70 123.88 1bjx s GLU 202 Ca 0.00 2.52 -0.21 0.00 0.01 0.00 0.00 54.97 57.29 1bjx s GLU 202 Cb 0.00 -3.03 0.06 0.00 -4.31 0.00 0.00 34.13 26.85 1bjx s GLU 202 CO 0.00 -0.57 0.77 0.08 0.01 0.00 0.00 175.26 175.55 1bjx s VAL 203 N -0.20 4.66 0.06 2.63 1.01 -1.26 -4.83 120.40 122.47 1bjx s VAL 203 Ca 0.61 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 62.25 1bjx s VAL 203 Cb -0.46 -4.43 -0.02 0.00 0.00 0.00 0.00 36.38 31.46 1bjx s VAL 203 CO 0.50 -1.01 0.09 0.42 0.00 0.00 0.00 175.10 175.10 1bjx s THR 204 N 3.20 0.16 0.18 3.92 -4.23 -1.26 -4.80 115.64 112.81 1bjx s THR 204 Ca 0.20 -1.34 -0.18 0.00 -1.18 0.00 0.00 61.69 59.19 1bjx s THR 204 Cb -0.17 -1.25 0.13 0.00 1.34 0.00 0.00 72.50 72.54 1bjx s THR 204 CO 0.13 -0.74 1.63 0.50 -0.54 0.00 0.00 174.62 175.60 1bjx h LYS 205 N 3.16 -0.09 -0.16 3.99 3.64 -1.95 0.58 116.57 125.74 1bjx h LYS 205 Ca -0.34 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.07 1bjx h LYS 205 Cb 1.18 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1bjx h LYS 205 CO 0.57 -0.06 0.11 0.93 -2.27 0.00 0.00 179.45 178.73 1bjx h GLU 206 N -0.10 0.15 0.20 1.90 4.39 -1.96 -2.00 114.58 117.16 1bjx h GLU 206 Ca 0.22 -0.01 -0.33 0.00 0.34 0.00 0.00 59.36 59.58 1bjx h GLU 206 Cb 0.44 -0.03 0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1bjx h GLU 206 CO -0.52 0.10 -1.56 -0.91 -1.16 0.00 0.00 179.01 174.95 1bjx h ASN 207 N 0.16 0.67 0.63 1.42 2.35 -1.06 -3.27 115.58 116.48 1bjx h ASN 207 Ca 0.06 -0.83 -0.03 0.00 -0.55 0.00 0.00 56.30 54.95 1bjx h ASN 207 Cb 0.06 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 38.22 1bjx h ASN 207 CO -0.01 1.67 -0.30 -0.07 -1.65 0.00 0.00 177.43 177.07 1bjx h LEU 208 N 0.12 -0.71 -1.96 1.61 3.38 0.46 -1.89 115.31 116.31 1bjx h LEU 208 Ca -0.28 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.76 1bjx h LEU 208 Cb 2.11 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 43.04 1bjx h LEU 208 CO 0.22 -0.46 0.40 -0.07 0.09 0.00 0.00 178.44 178.62 1bjx h LEU 209 N -0.91 0.00 0.00 1.67 4.07 -1.54 -1.38 115.31 117.23 1bjx h LEU 209 Ca -0.09 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.87 1bjx h LEU 209 Cb 0.67 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.41 1bjx h LEU 209 CO 0.14 0.00 -0.01 -0.78 -1.08 0.00 0.00 178.44 176.71 1bjx h ASP 210 N 0.00 0.01 0.54 -0.43 3.58 -1.43 -3.05 116.42 115.65 1bjx h ASP 210 Ca 0.11 -0.91 -0.02 0.00 0.42 0.00 0.00 57.03 56.63 1bjx h ASP 210 Cb 0.91 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.94 1bjx h ASP 210 CO -0.00 0.92 -0.48 0.15 -2.88 0.00 0.00 179.24 176.95 1bjx h PHE 211 N -0.90 -1.32 -1.00 0.28 3.57 -0.52 -2.20 116.94 114.86 1bjx h PHE 211 Ca -0.00 0.00 0.22 0.00 3.53 0.00 0.00 57.97 61.72 1bjx h PHE 211 Cb 0.92 0.50 -0.11 0.00 2.79 0.00 0.00 35.95 40.06 1bjx h PHE 211 CO 0.25 -0.66 0.61 0.82 -2.23 0.00 0.00 178.31 177.10 1bjx h ILE 212 N -1.01 0.63 0.00 1.41 2.04 -1.63 0.64 117.51 119.58 1bjx h ILE 212 Ca -0.07 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1bjx h ILE 212 Cb 0.87 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1bjx h ILE 212 CO -0.03 0.12 0.06 0.11 0.00 0.00 0.00 178.15 178.41 1bjx h LYS 213 N 0.65 0.00 0.00 2.37 1.57 -1.28 -0.34 116.57 119.55 1bjx h LYS 213 Ca 0.60 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 1bjx h LYS 213 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1bjx h LYS 213 CO -0.40 0.00 -1.81 1.58 -0.57 0.00 0.00 179.45 178.25 1bjx n HIS 214 N -2.79 0.04 -0.07 -1.35 -0.00 0.22 -4.05 115.22 107.22 1bjx n HIS 214 Ca -0.02 0.01 -0.07 0.00 0.46 0.00 0.00 57.72 58.10 1bjx n HIS 214 Cb 0.12 -0.45 -0.02 0.00 -0.12 0.00 0.00 29.99 29.51 1bjx n HIS 214 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1bjx n ASN 215 N -2.17 1.67 0.30 0.26 3.02 -0.26 -4.17 115.26 113.91 1bjx n ASN 215 Ca -0.03 0.36 0.20 0.00 -0.03 0.00 0.00 54.58 55.09 1bjx n ASN 215 Cb 0.54 -0.74 1.07 0.00 -0.61 0.00 0.00 39.78 40.04 1bjx n ASN 215 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 1bjx h GLN 216 N -0.87 0.00 -2.37 3.52 3.07 -1.49 -3.19 115.11 113.78 1bjx h GLN 216 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 58.65 58.14 1bjx h GLN 216 Cb 0.77 0.00 -0.41 0.00 0.08 0.00 0.00 27.48 27.92 1bjx h GLN 216 CO 0.00 0.00 -0.73 1.28 0.09 0.00 0.00 178.83 179.47 1bjx n LEU 217 N -2.94 2.44 -4.04 0.06 4.77 -1.25 -5.00 117.00 111.03 1bjx n LEU 217 Ca -0.02 -5.13 -0.40 0.00 -0.03 0.00 0.00 56.01 50.42 1bjx n LEU 217 Cb 0.09 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 1bjx n LEU 217 CO 0.19 1.98 2.11 -0.81 -1.33 0.00 0.00 177.39 179.53 1bjx n PRO 218 N 1.40 2.21 -0.71 3.23 -0.04 -1.21 -4.63 135.00 135.24 1bjx n PRO 218 Ca 0.26 -2.46 0.10 0.00 -0.04 0.00 0.00 63.50 61.36 1bjx n PRO 218 Cb 0.43 -3.30 -0.02 0.00 -0.04 0.00 0.00 33.50 30.56 1bjx n PRO 218 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1bjx n LEU 219 N 8.76 -0.35 -2.71 1.53 4.77 -1.26 -4.77 117.00 122.97 1bjx n LEU 219 Ca 0.49 0.76 -0.06 0.00 -0.03 0.00 0.00 56.01 57.18 1bjx n LEU 219 Cb 0.42 -2.41 0.06 0.00 -2.33 0.00 0.00 43.42 39.17 1bjx n LEU 219 CO 0.87 -1.88 0.11 0.55 -1.33 0.00 0.00 177.39 175.71 1bjx n VAL 220 N -2.35 0.76 -1.09 4.08 3.14 -1.26 -5.12 118.33 116.49 1bjx n VAL 220 Ca 0.00 -2.50 -0.35 0.00 -2.96 0.00 0.00 64.34 58.53 1bjx n VAL 220 Cb 0.58 0.92 0.09 0.00 -1.06 0.00 0.00 33.84 34.38 1bjx n VAL 220 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1bjx n ILE 221 N -0.45 1.19 -4.02 1.55 2.08 -1.26 -5.02 119.36 113.43 1bjx n ILE 221 Ca 0.03 -0.31 -0.06 0.00 0.56 0.00 0.00 62.75 62.98 1bjx n ILE 221 Cb 0.83 -0.74 -0.01 0.00 -0.75 0.00 0.00 39.64 38.97 1bjx n ILE 221 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1bjx n GLU 222 N -1.27 1.69 -3.24 0.38 1.02 -1.26 -4.90 120.64 113.06 1bjx n GLU 222 Ca 0.09 -0.67 -0.13 0.00 -0.02 0.00 0.00 57.16 56.43 1bjx n GLU 222 Cb 0.51 0.16 0.01 0.00 -0.02 0.00 0.00 31.44 32.10 1bjx n GLU 222 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1bjx n PHE 223 N -0.34 -2.87 -1.16 -0.32 7.35 -1.26 -5.01 117.46 113.86 1bjx n PHE 223 Ca -0.03 1.14 0.00 0.00 -0.76 0.00 0.00 57.45 57.80 1bjx n PHE 223 Cb 0.12 -3.46 0.00 0.00 0.35 0.00 0.00 39.48 36.49 1bjx n PHE 223 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1bjx n THR 224 N -1.34 0.00 -0.03 -2.13 -2.24 -1.26 -5.03 114.28 102.25 1bjx n THR 224 Ca -0.05 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.61 1bjx n THR 224 Cb 0.56 -1.33 -0.10 0.00 -2.10 0.00 0.00 70.33 67.36 1bjx n THR 224 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1bjx h GLU 225 N 0.00 -0.04 0.00 -0.78 4.81 -2.03 -3.46 114.58 113.07 1bjx h GLU 225 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1bjx h GLU 225 Cb 0.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1bjx h GLU 225 CO 0.00 0.64 0.00 0.94 -0.73 0.00 0.00 179.01 179.86 1bjx n GLN 226 N -4.75 0.97 -3.95 1.92 7.27 -1.26 -5.03 117.38 112.54 1bjx n GLN 226 Ca -0.08 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.68 1bjx n GLN 226 Cb 0.34 0.00 -0.14 0.00 2.41 0.00 0.00 30.24 32.85 1bjx n GLN 226 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1bjx s THR 227 N -0.03 2.58 0.00 1.69 -4.23 -1.26 -5.04 115.64 109.35 1bjx s THR 227 Ca 0.00 -2.93 0.00 0.00 -1.18 0.00 0.00 61.69 57.58 1bjx s THR 227 Cb 0.00 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 71.02 1bjx s THR 227 CO 0.00 -0.73 0.00 0.00 -0.54 0.00 0.00 174.62 173.35