#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 2.76 0.49 0.00 0.00 -1.26 -4.77 121.76 118.98 1bjx s ALA 120 Ca 0.00 -0.48 0.04 0.00 0.00 0.00 0.00 51.96 51.52 1bjx s ALA 120 Cb 0.00 -3.00 0.02 0.00 0.00 0.00 0.00 23.12 20.14 1bjx s ALA 120 CO 0.00 -1.40 0.68 -0.08 0.00 0.00 0.00 175.76 174.96 1bjx s THR 121 N -3.45 2.89 -0.36 0.00 -1.32 0.38 -4.88 115.64 108.89 1bjx s THR 121 Ca 0.60 -0.81 -0.07 0.00 -1.21 0.00 0.00 61.69 60.20 1bjx s THR 121 Cb -0.11 -3.03 0.05 0.00 -1.51 0.00 0.00 72.50 67.91 1bjx s THR 121 CO 0.51 -0.02 0.15 -0.89 -2.21 0.00 0.00 174.62 172.16 1bjx s THR 122 N -2.57 3.85 -0.08 5.08 2.01 -1.26 -1.30 115.64 121.38 1bjx s THR 122 Ca 0.56 -1.27 -0.25 0.00 0.31 0.00 0.00 61.69 61.04 1bjx s THR 122 Cb -0.10 -3.26 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 1bjx s THR 122 CO 0.36 -0.30 0.76 -0.76 -0.69 0.00 0.00 174.62 173.98 1bjx s LEU 123 N 1.39 4.30 0.06 4.42 1.43 -1.20 -4.96 118.68 124.11 1bjx s LEU 123 Ca 0.00 1.24 -0.17 0.00 -1.03 0.00 0.00 54.13 54.17 1bjx s LEU 123 Cb -0.21 -3.17 -0.15 0.00 0.03 0.00 0.00 46.19 42.70 1bjx s LEU 123 CO 0.02 -0.18 1.29 1.55 0.23 0.00 0.00 176.35 179.26 1bjx h PRO 124 N 6.87 0.55 0.00 1.29 0.13 -1.98 -3.43 132.00 135.43 1bjx h PRO 124 Ca -0.39 -0.38 -0.00 0.00 -0.87 0.00 0.00 66.00 64.36 1bjx h PRO 124 Cb 1.19 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1bjx h PRO 124 CO 0.77 1.00 0.01 -0.40 -0.23 0.00 0.00 178.00 179.14 1bjx n ASP 125 N -4.28 -0.09 0.22 1.44 5.68 -1.26 -4.77 116.55 113.49 1bjx n ASP 125 Ca -0.07 -1.07 0.13 0.00 -0.50 0.00 0.00 54.79 53.29 1bjx n ASP 125 Cb 0.54 0.15 0.75 0.00 -1.14 0.00 0.00 41.12 41.43 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 0.08 0.00 0.72 6.12 0.00 -1.92 -1.05 103.07 107.03 1bjx h GLY 126 Ca -0.01 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.48 1bjx h GLY 126 CO 0.02 0.00 0.48 0.00 0.00 0.00 0.00 176.54 177.03 1bjx h ALA 127 N 1.91 2.33 0.08 3.60 0.00 -1.95 -1.09 119.26 124.15 1bjx h ALA 127 Ca 0.06 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.65 1bjx h ALA 127 Cb 0.26 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1bjx h ALA 127 CO -0.00 -0.53 -1.67 0.00 0.00 0.00 0.00 179.25 177.06 1bjx h ALA 128 N 1.67 0.45 -0.03 0.00 0.00 -1.59 -3.26 119.26 116.50 1bjx h ALA 128 Ca 0.34 -1.27 0.01 0.00 0.00 0.00 0.00 54.91 53.99 1bjx h ALA 128 Cb 1.01 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1bjx h ALA 128 CO -0.07 1.31 0.06 0.00 0.00 0.00 0.00 179.25 180.55 1bjx h ALA 129 N 0.56 1.34 0.00 0.00 0.00 -1.10 -0.10 119.26 119.95 1bjx h ALA 129 Ca -0.29 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1bjx h ALA 129 Cb 2.01 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.80 1bjx h ALA 129 CO 0.12 -0.07 -0.31 0.93 0.00 0.00 0.00 179.25 179.92 1bjx h GLU 130 N 0.00 0.00 0.00 0.00 3.07 -1.51 -3.29 114.58 112.84 1bjx h GLU 130 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1bjx h GLU 130 Cb 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1bjx h GLU 130 CO -0.00 0.21 0.00 0.66 -1.40 0.00 0.00 179.01 178.48 1bjx h SER 131 N -1.00 0.00 -0.02 1.42 4.64 -1.56 -2.46 113.55 114.57 1bjx h SER 131 Ca -0.04 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 1bjx h SER 131 Cb 0.43 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1bjx h SER 131 CO -0.02 0.00 -0.03 0.25 -0.87 0.00 0.00 176.83 176.16 1bjx h LEU 132 N 0.00 0.06 -1.62 5.97 5.85 -1.13 -1.70 115.31 122.73 1bjx h LEU 132 Ca 0.00 -0.55 -0.04 0.00 0.84 0.00 0.00 57.88 58.13 1bjx h LEU 132 Cb 0.05 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1bjx h LEU 132 CO 0.00 0.60 -0.21 0.58 -0.34 0.00 0.00 178.44 179.07 1bjx h VAL 133 N -0.48 1.01 -0.01 1.05 2.07 -1.52 -1.88 116.25 116.49 1bjx h VAL 133 Ca 0.00 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1bjx h VAL 133 Cb 0.58 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1bjx h VAL 133 CO 0.01 0.20 -0.04 -0.62 0.02 0.00 0.00 177.57 177.14 1bjx n GLU 134 N -4.09 1.54 0.10 1.57 1.02 -1.10 -3.86 120.64 115.82 1bjx n GLU 134 Ca -0.02 -0.89 0.05 0.00 -0.02 0.00 0.00 57.16 56.28 1bjx n GLU 134 Cb 0.28 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1bjx n GLU 134 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1bjx h SER 135 N 2.18 0.00 -5.14 1.62 0.87 -0.43 -3.48 113.55 109.17 1bjx h SER 135 Ca 0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 1bjx h SER 135 Cb 0.50 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.32 1bjx h SER 135 CO 0.00 0.32 -0.30 -0.94 -0.53 0.00 0.00 176.83 175.37 1bjx s SER 136 N -5.87 0.04 0.63 6.23 1.04 -1.24 -5.01 113.70 109.52 1bjx s SER 136 Ca 0.01 -0.58 0.35 0.00 0.48 0.00 0.00 55.95 56.21 1bjx s SER 136 Cb 0.08 0.37 2.01 0.00 0.10 0.00 0.00 66.02 68.59 1bjx s SER 136 CO 0.77 -0.76 2.24 -0.33 0.98 0.00 0.00 173.24 176.15 1bjx h GLU 137 N 2.66 0.00 -4.25 4.02 5.08 -1.92 -3.42 114.58 116.75 1bjx h GLU 137 Ca -0.34 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.82 1bjx h GLU 137 Cb 1.21 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.26 1bjx h GLU 137 CO 0.54 0.00 -0.71 0.14 -1.00 0.00 0.00 179.01 177.98 1bjx s VAL 138 N -4.40 0.31 -0.29 3.13 -7.23 -1.26 -2.93 120.40 107.72 1bjx s VAL 138 Ca -0.05 -1.17 -0.20 0.00 -1.81 0.00 0.00 61.98 58.75 1bjx s VAL 138 Cb 0.14 -0.66 0.17 0.00 0.56 0.00 0.00 36.38 36.58 1bjx s VAL 138 CO 0.47 -0.56 1.16 0.00 -0.31 0.00 0.00 175.10 175.86 1bjx s ALA 139 N -1.96 -2.29 0.12 1.32 0.00 0.29 -4.47 121.76 114.78 1bjx s ALA 139 Ca -0.09 1.96 0.10 0.00 0.00 0.00 0.00 51.96 53.94 1bjx s ALA 139 Cb -0.06 -1.74 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 1bjx s ALA 139 CO -0.02 -0.26 -0.26 0.54 0.00 0.00 0.00 175.76 175.76 1bjx s VAL 140 N 0.72 2.16 -0.11 0.00 0.11 -1.25 0.14 120.40 122.18 1bjx s VAL 140 Ca -0.02 -1.71 -0.02 0.00 -2.93 0.00 0.00 61.98 57.30 1bjx s VAL 140 Cb -0.04 -1.92 0.04 0.00 -1.53 0.00 0.00 36.38 32.93 1bjx s VAL 140 CO -0.12 0.07 0.01 -0.63 -3.33 0.00 0.00 175.10 171.10 1bjx s ILE 141 N -1.07 0.46 -0.11 7.04 1.09 -1.14 -0.78 121.20 126.68 1bjx s ILE 141 Ca 0.13 -0.09 -0.27 0.00 -1.10 0.00 0.00 60.65 59.32 1bjx s ILE 141 Cb -0.10 -0.70 -0.02 0.00 -1.06 0.00 0.00 42.46 40.58 1bjx s ILE 141 CO 0.06 0.14 0.87 -0.83 -0.10 0.00 0.00 174.94 175.07 1bjx s GLY 142 N 1.93 2.37 -1.10 6.18 0.00 0.12 -3.95 107.32 112.86 1bjx s GLY 142 Ca 0.03 0.20 -0.08 0.00 0.00 0.00 0.00 44.72 44.88 1bjx s GLY 142 CO -0.06 1.64 1.14 0.69 0.00 0.00 0.00 173.10 176.51 1bjx n PHE 143 N 4.72 4.86 -4.09 1.90 3.01 -0.33 -2.66 117.46 124.87 1bjx n PHE 143 Ca 0.05 -3.77 -0.32 0.00 1.01 0.00 0.00 57.45 54.41 1bjx n PHE 143 Cb 0.50 -1.62 -0.07 0.00 -0.01 0.00 0.00 39.48 38.28 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 -1.49 3.27 -0.07 1.38 0.08 -1.18 -2.26 117.98 117.71 1bjx s PHE 144 Ca 0.31 0.18 0.14 0.00 0.12 0.00 0.00 56.93 57.68 1bjx s PHE 144 Cb -0.08 -1.72 -0.17 0.00 -0.57 0.00 0.00 43.02 40.49 1bjx s PHE 144 CO -0.06 0.54 0.85 1.57 -0.10 0.00 0.00 175.22 178.02 1bjx h LYS 145 N 3.94 0.00 -2.36 0.44 2.10 -1.88 -3.28 116.57 115.52 1bjx h LYS 145 Ca -0.49 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 57.57 1bjx h LYS 145 Cb 1.18 0.00 -0.40 0.00 -0.90 0.00 0.00 32.23 32.11 1bjx h LYS 145 CO 0.63 0.46 -0.82 -3.47 -2.00 0.00 0.00 179.45 174.25 1bjx n ASP 146 N -3.02 1.64 0.28 7.07 -0.08 -1.26 -4.88 116.55 116.30 1bjx n ASP 146 Ca -0.11 -2.94 0.16 0.00 -1.51 0.00 0.00 54.79 50.39 1bjx n ASP 146 Cb 0.93 -0.65 0.78 0.00 2.34 0.00 0.00 41.12 44.51 1bjx n ASP 146 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1bjx h VAL 147 N 3.41 0.09 -0.08 5.18 -1.51 -1.96 0.35 116.25 121.73 1bjx h VAL 147 Ca 0.17 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.64 1bjx h VAL 147 Cb 0.80 0.64 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1bjx h VAL 147 CO 0.60 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 176.32 1bjx n GLU 148 N -3.07 1.22 -0.04 5.19 -0.58 -1.26 -4.41 120.64 117.69 1bjx n GLU 148 Ca 0.00 -0.34 0.00 0.00 -0.42 0.00 0.00 57.16 56.40 1bjx n GLU 148 Cb 0.46 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 30.18 1bjx n GLU 148 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1bjx n SER 149 N -0.29 0.00 0.08 1.62 3.41 0.12 -4.99 113.62 113.58 1bjx n SER 149 Ca 0.06 -0.17 0.09 0.00 -0.26 0.00 0.00 58.87 58.59 1bjx n SER 149 Cb 0.10 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 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 -0.51 0.80 0.00 4.04 5.75 -1.26 -3.75 116.55 121.62 1bjx n ASP 150 Ca 0.00 0.32 -0.12 0.00 -0.01 0.00 0.00 54.79 54.98 1bjx n ASP 150 Cb 0.00 0.48 0.01 0.00 -1.03 0.00 0.00 41.12 40.58 1bjx n ASP 150 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 1bjx h SER 151 N 0.00 0.69 0.92 -1.12 0.87 -1.91 -3.06 113.55 109.95 1bjx h SER 151 Ca -0.04 -0.41 -0.10 0.00 -1.23 0.00 0.00 61.79 60.01 1bjx h SER 151 Cb 1.13 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.88 1bjx h SER 151 CO 0.01 1.16 -0.48 0.00 -0.53 0.00 0.00 176.83 176.99 1bjx h ALA 152 N 0.84 0.89 -0.31 6.23 0.00 -1.77 -3.19 119.26 121.95 1bjx h ALA 152 Ca -0.02 -0.44 0.06 0.00 0.00 0.00 0.00 54.91 54.52 1bjx h ALA 152 Cb 1.23 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1bjx h ALA 152 CO 0.12 0.60 -0.06 0.87 0.00 0.00 0.00 179.25 180.78 1bjx h LYS 153 N 0.00 0.02 -0.71 0.00 1.79 -1.62 -1.25 116.57 114.80 1bjx h LYS 153 Ca -0.00 -0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 1bjx h LYS 153 Cb 1.07 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.69 1bjx h LYS 153 CO 0.06 0.01 0.18 1.96 -1.08 0.00 0.00 179.45 180.58 1bjx h GLN 154 N 0.02 1.12 -0.05 3.15 1.08 -1.63 -2.82 115.11 115.99 1bjx h GLN 154 Ca 0.15 -0.26 0.04 0.00 -1.45 0.00 0.00 58.65 57.12 1bjx h GLN 154 Cb 0.22 -0.15 -0.06 0.00 -0.05 0.00 0.00 27.48 27.45 1bjx h GLN 154 CO -0.31 0.98 -0.34 0.35 -0.95 0.00 0.00 178.83 178.56 1bjx h PHE 155 N 1.07 -0.96 0.21 2.96 3.57 -1.25 0.49 116.94 123.04 1bjx h PHE 155 Ca 0.22 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.77 1bjx h PHE 155 Cb 0.36 0.43 -0.04 0.00 2.79 0.00 0.00 35.95 39.49 1bjx h PHE 155 CO 0.03 -0.43 -0.37 -0.07 -2.23 0.00 0.00 178.31 175.24 1bjx h LEU 156 N -0.47 -1.05 -0.15 0.59 3.38 -1.24 0.31 115.31 116.69 1bjx h LEU 156 Ca 0.07 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.19 1bjx h LEU 156 Cb 0.58 0.38 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 1bjx h LEU 156 CO -0.31 -0.47 -0.46 1.56 0.09 0.00 0.00 178.44 178.85 1bjx h GLN 157 N -0.66 -0.49 -0.72 1.13 4.20 -1.22 0.41 115.11 117.76 1bjx h GLN 157 Ca 0.01 0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.81 1bjx h GLN 157 Cb 0.65 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.50 1bjx h GLN 157 CO -0.16 -0.33 0.48 0.00 -0.67 0.00 0.00 178.83 178.15 1bjx h ALA 158 N 0.01 1.69 -0.13 3.87 0.00 -0.68 -0.44 119.26 123.57 1bjx h ALA 158 Ca 0.07 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1bjx h ALA 158 Cb 0.64 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1bjx h ALA 158 CO -0.42 0.20 -0.34 0.00 0.00 0.00 0.00 179.25 178.69 1bjx h ALA 159 N 1.60 1.18 -0.09 0.00 0.00 0.18 -2.68 119.26 119.45 1bjx h ALA 159 Ca 0.31 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1bjx h ALA 159 Cb 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1bjx h ALA 159 CO -0.10 0.54 -0.34 0.93 0.00 0.00 0.00 179.25 180.28 1bjx h GLU 160 N 0.23 0.18 -0.57 0.00 4.39 0.14 -2.65 114.58 116.31 1bjx h GLU 160 Ca 0.03 -0.07 0.12 0.00 0.34 0.00 0.00 59.36 59.77 1bjx h GLU 160 Cb 0.72 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.32 1bjx h GLU 160 CO 0.05 0.51 0.39 0.00 -1.16 0.00 0.00 179.01 178.80 1bjx h ALA 161 N 1.49 2.17 -2.93 3.43 0.00 -1.10 -3.40 119.26 118.91 1bjx h ALA 161 Ca 0.02 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.25 1bjx h ALA 161 Cb 0.69 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.33 1bjx h ALA 161 CO 0.05 -0.31 -0.54 0.42 0.00 0.00 0.00 179.25 178.88 1bjx s ILE 162 N -5.27 5.03 -0.05 0.00 1.01 -1.00 -4.99 121.20 115.93 1bjx s ILE 162 Ca -0.07 0.03 0.08 0.00 0.00 0.00 0.00 60.65 60.69 1bjx s ILE 162 Cb 0.20 -3.17 0.12 0.00 0.01 0.00 0.00 42.46 39.61 1bjx s ILE 162 CO 0.74 0.61 1.00 -0.90 0.00 0.00 0.00 174.94 176.38 1bjx n ASP 163 N 2.13 1.56 -0.00 3.58 5.68 -1.26 -4.69 116.55 123.54 1bjx n ASP 163 Ca -0.19 -2.31 0.00 0.00 -0.50 0.00 0.00 54.79 51.79 1bjx n ASP 163 Cb 0.54 -0.20 -0.00 0.00 -1.14 0.00 0.00 41.12 40.32 1bjx n ASP 163 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1bjx n ASP 164 N -0.73 0.11 -4.86 -1.12 5.75 -1.26 -5.02 116.55 109.42 1bjx n ASP 164 Ca 0.06 -0.49 -0.33 0.00 -0.01 0.00 0.00 54.79 54.02 1bjx n ASP 164 Cb 0.51 1.00 -0.05 0.00 -1.03 0.00 0.00 41.12 41.55 1bjx n ASP 164 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1bjx s ILE 165 N -1.04 5.19 -1.33 2.12 -1.09 -1.26 -5.02 121.20 118.78 1bjx s ILE 165 Ca 0.00 -0.26 -0.12 0.00 -2.23 0.00 0.00 60.65 58.04 1bjx s ILE 165 Cb 0.00 -3.41 0.12 0.00 -1.58 0.00 0.00 42.46 37.59 1bjx s ILE 165 CO 0.01 0.33 1.89 -0.81 -1.23 0.00 0.00 174.94 175.13 1bjx n PRO 166 N 1.00 3.30 -1.97 2.79 -0.04 -1.26 -4.98 135.00 133.84 1bjx n PRO 166 Ca -0.11 -3.27 -0.42 0.00 -0.04 0.00 0.00 63.50 59.65 1bjx n PRO 166 Cb 0.53 -3.12 -0.03 0.00 -0.04 0.00 0.00 33.50 30.84 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 1.87 2.44 0.17 0.54 0.40 -1.26 -3.92 117.98 118.21 1bjx s PHE 167 Ca 0.44 0.37 0.11 0.00 -0.60 0.00 0.00 56.93 57.24 1bjx s PHE 167 Cb 0.08 -3.93 -0.04 0.00 0.51 0.00 0.00 43.02 39.65 1bjx s PHE 167 CO -0.01 -3.70 -0.24 0.20 0.70 0.00 0.00 175.22 172.17 1bjx s GLY 168 N 2.42 1.60 -0.14 4.36 0.00 0.04 0.14 107.32 115.74 1bjx s GLY 168 Ca 0.73 -1.55 -0.12 0.00 0.00 0.00 0.00 44.72 43.78 1bjx s GLY 168 CO 0.31 -1.57 0.37 -1.50 0.00 0.00 0.00 173.10 170.71 1bjx s ILE 169 N -1.54 -0.01 0.08 0.90 2.07 -0.42 0.13 121.20 122.42 1bjx s ILE 169 Ca 0.17 0.02 -0.18 0.00 -1.41 0.00 0.00 60.65 59.26 1bjx s ILE 169 Cb -0.08 -0.52 0.04 0.00 0.13 0.00 0.00 42.46 42.03 1bjx s ILE 169 CO 0.08 0.01 0.43 0.28 -1.91 0.00 0.00 174.94 173.83 1bjx s THR 170 N 0.46 0.05 -0.63 4.00 -1.32 -1.09 -3.27 115.64 113.84 1bjx s THR 170 Ca -0.02 -0.45 0.06 0.00 -1.21 0.00 0.00 61.69 60.07 1bjx s THR 170 Cb -0.04 -1.04 0.03 0.00 -1.51 0.00 0.00 72.50 69.94 1bjx s THR 170 CO -0.02 -0.25 0.59 -1.20 -2.21 0.00 0.00 174.62 171.53 1bjx n SER 171 N 0.18 1.23 -4.65 8.08 7.64 -1.24 -3.11 113.62 121.75 1bjx n SER 171 Ca -0.17 -1.12 -0.43 0.00 1.01 0.00 0.00 58.87 58.16 1bjx n SER 171 Cb 0.62 0.21 -0.03 0.00 -1.01 0.00 0.00 64.21 63.99 1bjx n SER 171 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1bjx n ASN 172 N 0.03 3.95 -0.25 6.43 5.15 -1.26 -4.82 115.26 124.49 1bjx n ASN 172 Ca 0.03 0.82 0.25 0.00 -0.60 0.00 0.00 54.58 55.08 1bjx n ASN 172 Cb 0.13 -1.51 0.61 0.00 -0.53 0.00 0.00 39.78 38.49 1bjx n ASN 172 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1bjx h SER 173 N 10.99 0.23 -0.86 1.20 0.02 -1.94 0.19 113.55 123.38 1bjx h SER 173 Ca -0.48 0.03 0.17 0.00 -0.84 0.00 0.00 61.79 60.67 1bjx h SER 173 Cb 1.25 -0.01 -0.07 0.00 0.14 0.00 0.00 62.40 63.71 1bjx h SER 173 CO 0.94 0.07 0.57 0.44 -1.14 0.00 0.00 176.83 177.71 1bjx h ASP 174 N 0.22 0.51 1.45 3.07 5.19 -1.93 0.44 116.42 125.38 1bjx h ASP 174 Ca 0.50 0.04 -0.10 0.00 -0.62 0.00 0.00 57.03 56.85 1bjx h ASP 174 Cb 1.56 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 41.00 1bjx h ASP 174 CO -0.13 0.24 -0.47 0.58 -3.12 0.00 0.00 179.24 176.34 1bjx h VAL 175 N 0.53 0.83 0.10 -1.35 2.07 -0.94 -2.71 116.25 114.78 1bjx h VAL 175 Ca 0.44 -2.11 -0.15 0.00 0.82 0.00 0.00 66.70 65.70 1bjx h VAL 175 Cb 0.91 2.36 0.01 0.00 -1.52 0.00 0.00 31.29 33.06 1bjx h VAL 175 CO -0.18 0.46 -0.71 -0.26 0.02 0.00 0.00 177.57 176.90 1bjx h PHE 176 N 0.00 0.39 0.00 1.57 -1.00 -0.37 -3.29 116.94 114.24 1bjx h PHE 176 Ca -0.00 -0.29 -0.02 0.00 2.81 0.00 0.00 57.97 60.47 1bjx h PHE 176 Cb 1.33 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 40.87 1bjx h PHE 176 CO 0.00 1.27 -0.11 1.03 -1.61 0.00 0.00 178.31 178.90 1bjx h SER 177 N -0.53 0.00 0.12 2.17 0.87 -0.41 -2.59 113.55 113.17 1bjx h SER 177 Ca -0.13 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.45 1bjx h SER 177 Cb 1.50 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.41 1bjx h SER 177 CO 0.10 0.11 -0.42 0.50 -0.53 0.00 0.00 176.83 176.59 1bjx h LYS 178 N 0.00 -0.63 -0.54 2.24 3.64 -1.54 -1.05 116.57 118.69 1bjx h LYS 178 Ca -0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1bjx h LYS 178 Cb 0.47 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1bjx h LYS 178 CO 0.01 -0.42 0.00 0.66 -2.27 0.00 0.00 179.45 177.44 1bjx n TYR 179 N -5.46 0.70 -3.57 1.91 4.01 -1.20 -4.93 117.16 108.62 1bjx n TYR 179 Ca -0.07 -0.29 -0.26 0.00 -0.16 0.00 0.00 57.90 57.12 1bjx n TYR 179 Cb 0.38 -0.12 0.04 0.00 -0.31 0.00 0.00 39.34 39.33 1bjx n TYR 179 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1bjx n GLN 180 N 0.46 -1.42 -0.04 -0.72 7.27 -0.40 -4.90 117.38 117.63 1bjx n GLN 180 Ca 0.13 0.61 -0.03 0.00 0.07 0.00 0.00 57.00 57.78 1bjx n GLN 180 Cb 0.47 -4.46 -0.14 0.00 2.41 0.00 0.00 30.24 28.52 1bjx n GLN 180 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1bjx n LEU 181 N -3.80 0.28 -1.50 1.69 4.77 -0.99 -4.95 117.00 112.49 1bjx n LEU 181 Ca -0.09 0.12 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 1bjx n LEU 181 Cb 0.59 0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 41.89 1bjx n LEU 181 CO 0.65 0.29 -0.13 -0.67 -1.33 0.00 0.00 177.39 176.19 1bjx n ASP 182 N -2.69 -3.58 -0.34 -1.43 2.03 -1.26 -4.75 116.55 104.52 1bjx n ASP 182 Ca -0.19 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.43 1bjx n ASP 182 Cb 0.94 -3.31 0.00 0.00 -0.72 0.00 0.00 41.12 38.03 1bjx n ASP 182 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1bjx n LYS 183 N -1.99 0.00 -3.29 -0.67 2.85 -1.26 -5.15 118.16 108.65 1bjx n LYS 183 Ca -0.14 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.82 1bjx n LYS 183 Cb 0.46 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.80 1bjx n LYS 183 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1bjx s ASP 184 N 0.99 6.54 -0.12 -5.58 1.11 -1.26 -4.93 116.67 113.42 1bjx s ASP 184 Ca 0.00 0.88 -0.30 0.00 0.18 0.00 0.00 52.55 53.31 1bjx s ASP 184 Cb 0.00 -2.21 0.10 0.00 1.07 0.00 0.00 42.92 41.88 1bjx s ASP 184 CO 0.00 -0.18 0.86 -0.83 1.18 0.00 0.00 175.17 176.20 1bjx s GLY 185 N -2.80 -0.40 -0.47 0.21 0.00 -0.96 -5.01 107.32 97.89 1bjx s GLY 185 Ca 0.47 1.75 0.02 0.00 0.00 0.00 0.00 44.72 46.96 1bjx s GLY 185 CO 0.26 1.04 0.23 0.14 0.00 0.00 0.00 173.10 174.76 1bjx s VAL 186 N -1.07 2.82 0.21 1.40 1.01 -1.26 -1.19 120.40 122.31 1bjx s VAL 186 Ca -0.05 -2.79 0.09 0.00 0.00 0.00 0.00 61.98 59.23 1bjx s VAL 186 Cb -0.00 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1bjx s VAL 186 CO 0.05 -0.74 -0.06 -0.69 0.00 0.00 0.00 175.10 173.66 1bjx s VAL 187 N 0.30 3.31 0.22 2.92 1.01 -1.25 -2.41 120.40 124.51 1bjx s VAL 187 Ca 0.14 -1.73 0.07 0.00 0.00 0.00 0.00 61.98 60.46 1bjx s VAL 187 Cb -0.22 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1bjx s VAL 187 CO -0.04 -0.20 0.08 -0.22 0.00 0.00 0.00 175.10 174.73 1bjx s LEU 188 N -3.13 3.53 -0.09 3.92 0.20 -1.26 -2.89 118.68 118.96 1bjx s LEU 188 Ca 0.27 -0.37 0.01 0.00 0.69 0.00 0.00 54.13 54.74 1bjx s LEU 188 Cb -0.08 -2.10 0.02 0.00 -0.43 0.00 0.00 46.19 43.60 1bjx s LEU 188 CO 0.17 0.02 -0.09 -0.36 -0.29 0.00 0.00 176.35 175.81 1bjx s PHE 189 N -2.01 1.37 0.39 5.38 0.40 0.38 -3.42 117.98 120.47 1bjx s PHE 189 Ca 0.31 -0.59 0.05 0.00 -0.60 0.00 0.00 56.93 56.10 1bjx s PHE 189 Cb -0.08 -1.10 -0.02 0.00 0.51 0.00 0.00 43.02 42.33 1bjx s PHE 189 CO 0.22 -0.38 0.18 -1.59 0.70 0.00 0.00 175.22 174.35 1bjx s LYS 190 N 1.23 1.90 -0.13 0.44 0.00 -0.24 -0.55 119.74 122.40 1bjx s LYS 190 Ca -0.04 -2.15 0.16 0.00 0.00 0.00 0.00 55.97 53.94 1bjx s LYS 190 Cb -0.14 -0.29 -0.24 0.00 0.00 0.00 0.00 37.83 37.16 1bjx s LYS 190 CO -0.03 -0.56 0.33 1.63 0.00 0.00 0.00 175.35 176.72 1bjx n LYS 191 N -0.84 0.66 -0.96 1.78 4.76 -1.15 -4.51 118.16 117.90 1bjx n LYS 191 Ca -0.02 0.11 -0.05 0.00 -2.87 0.00 0.00 58.31 55.48 1bjx n LYS 191 Cb 0.64 -1.63 0.03 0.00 -1.84 0.00 0.00 35.03 32.22 1bjx n LYS 191 CO 0.00 0.00 0.00 1.97 -1.37 0.00 0.00 177.40 178.00 1bjx n PHE 192 N -2.86 -3.36 -1.97 2.13 1.16 -1.26 -4.80 117.46 106.50 1bjx n PHE 192 Ca -0.26 -0.35 0.00 0.00 -1.87 0.00 0.00 57.45 54.97 1bjx n PHE 192 Cb 1.10 -0.16 0.00 0.00 -1.61 0.00 0.00 39.48 38.81 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 -3.00 -0.64 0.26 5.98 8.00 -1.26 -2.13 116.55 123.76 1bjx n ASP 193 Ca 0.03 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.65 1bjx n ASP 193 Cb 0.12 0.00 0.71 0.00 -0.02 0.00 0.00 41.12 41.93 1bjx n ASP 193 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1bjx h GLU 194 N 0.00 0.00 0.00 -1.24 4.39 -1.96 -3.46 114.58 112.31 1bjx h GLU 194 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1bjx h GLU 194 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1bjx h GLU 194 CO 0.00 0.11 0.00 0.41 -1.16 0.00 0.00 179.01 178.37 1bjx n GLY 195 N -0.89 3.03 3.61 -3.84 0.00 -0.90 -5.02 105.19 101.18 1bjx n GLY 195 Ca -0.02 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 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 1.94 0.00 1.61 3.00 -1.26 -1.08 118.95 123.16 1bjx s ARG 196 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 55.73 53.59 1bjx s ARG 196 Cb 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 34.95 33.56 1bjx s ARG 196 CO 0.00 -0.17 0.00 0.09 0.00 0.00 0.00 175.30 175.22 1bjx n ASN 197 N -1.00 0.00 -2.72 0.23 3.02 -1.22 -4.94 115.26 108.64 1bjx n ASN 197 Ca -0.07 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.46 1bjx n ASN 197 Cb 0.67 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.86 1bjx n ASN 197 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1bjx s ASN 198 N 1.00 -0.33 -0.20 6.41 4.22 -1.26 -4.79 114.94 119.99 1bjx s ASN 198 Ca 0.00 -0.30 -0.37 0.00 -2.14 0.00 0.00 52.86 50.05 1bjx s ASN 198 Cb 0.00 0.43 -0.14 0.00 1.28 0.00 0.00 41.25 42.82 1bjx s ASN 198 CO 0.00 -0.02 1.82 0.33 -2.04 0.00 0.00 177.10 177.19 1bjx n PHE 199 N 3.07 2.17 -3.91 1.54 7.35 -1.01 -4.92 117.46 121.76 1bjx n PHE 199 Ca 0.09 0.28 -0.33 0.00 -0.76 0.00 0.00 57.45 56.74 1bjx n PHE 199 Cb 0.64 -2.56 -0.13 0.00 0.35 0.00 0.00 39.48 37.78 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 3.90 1.88 0.00 -4.13 2.02 -1.26 -4.75 118.70 116.36 1bjx s GLU 200 Ca 0.96 -2.16 0.00 0.00 0.02 0.00 0.00 54.97 53.79 1bjx s GLU 200 Cb -0.89 -3.39 0.00 0.00 0.10 0.00 0.00 34.13 29.94 1bjx s GLU 200 CO 0.59 -1.05 0.00 0.41 0.02 0.00 0.00 175.26 175.23 1bjx n GLY 201 N 3.91 -1.98 3.66 -1.39 0.00 -1.26 -5.08 105.19 103.04 1bjx n GLY 201 Ca 0.03 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.84 4.19 -0.27 1.61 8.01 -1.26 -4.91 118.70 124.23 1bjx s GLU 202 Ca 0.00 1.86 -0.28 0.00 0.01 0.00 0.00 54.97 56.56 1bjx s GLU 202 Cb 0.00 -3.86 -0.05 0.00 -4.31 0.00 0.00 34.13 25.90 1bjx s GLU 202 CO 0.00 -0.79 2.26 0.08 0.01 0.00 0.00 175.26 176.82 1bjx s VAL 203 N 3.79 3.00 0.07 2.63 1.01 -1.26 -4.77 120.40 124.87 1bjx s VAL 203 Ca 0.63 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.51 1bjx s VAL 203 Cb -0.26 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.12 1bjx s VAL 203 CO 0.21 -0.00 0.22 0.42 0.00 0.00 0.00 175.10 175.95 1bjx s THR 204 N 9.06 0.12 0.19 3.92 -4.23 -1.26 -4.83 115.64 118.61 1bjx s THR 204 Ca 1.00 -0.99 -0.13 0.00 -1.18 0.00 0.00 61.69 60.40 1bjx s THR 204 Cb -0.30 -1.14 0.13 0.00 1.34 0.00 0.00 72.50 72.53 1bjx s THR 204 CO 0.33 -0.54 1.69 0.50 -0.54 0.00 0.00 174.62 176.06 1bjx h LYS 205 N 3.01 0.15 0.00 3.99 3.64 -1.91 0.90 116.57 126.35 1bjx h LYS 205 Ca -0.33 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.02 1bjx h LYS 205 Cb 1.20 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1bjx h LYS 205 CO 0.52 0.10 -0.09 0.93 -2.27 0.00 0.00 179.45 178.63 1bjx h GLU 206 N 0.15 0.00 0.07 1.90 5.08 -1.96 -2.16 114.58 117.66 1bjx h GLU 206 Ca 0.26 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.31 1bjx h GLU 206 Cb 0.38 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1bjx h GLU 206 CO -0.39 0.09 -1.68 0.09 -1.00 0.00 0.00 179.01 176.12 1bjx n ASN 207 N -3.68 2.01 0.29 1.42 3.02 0.45 -3.75 115.26 115.02 1bjx n ASN 207 Ca -0.02 0.31 -0.17 0.00 -0.03 0.00 0.00 54.58 54.67 1bjx n ASN 207 Cb 0.21 -0.91 -0.08 0.00 -0.61 0.00 0.00 39.78 38.38 1bjx n ASN 207 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1bjx h LEU 208 N -0.43 -0.73 -2.13 3.41 3.38 0.78 -0.04 115.31 119.56 1bjx h LEU 208 Ca -0.40 0.04 0.06 0.00 0.09 0.00 0.00 57.88 57.67 1bjx h LEU 208 Cb 1.70 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 1bjx h LEU 208 CO -0.06 -0.47 0.31 -0.07 0.09 0.00 0.00 178.44 178.24 1bjx h LEU 209 N -0.76 0.00 0.00 1.67 3.38 -1.60 -0.87 115.31 117.13 1bjx h LEU 209 Ca -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1bjx h LEU 209 Cb 0.61 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1bjx h LEU 209 CO 0.08 0.00 -0.05 -0.78 0.09 0.00 0.00 178.44 177.77 1bjx h ASP 210 N 0.00 0.00 0.06 -0.43 3.58 -1.34 -3.00 116.42 115.28 1bjx h ASP 210 Ca 0.09 -0.19 0.02 0.00 0.42 0.00 0.00 57.03 57.37 1bjx h ASP 210 Cb 0.70 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.71 1bjx h ASP 210 CO -0.00 0.63 -0.25 0.15 -2.88 0.00 0.00 179.24 176.89 1bjx h PHE 211 N -1.00 -0.66 -0.28 0.28 3.57 -0.61 -2.47 116.94 115.78 1bjx h PHE 211 Ca -0.01 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.57 1bjx h PHE 211 Cb 0.24 0.28 -0.08 0.00 2.79 0.00 0.00 35.95 39.18 1bjx h PHE 211 CO 0.04 -0.34 -0.37 0.82 -2.23 0.00 0.00 178.31 176.23 1bjx h ILE 212 N -0.41 0.20 -1.09 1.41 2.04 -1.34 0.28 117.51 118.59 1bjx h ILE 212 Ca 0.05 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.22 1bjx h ILE 212 Cb 0.47 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 1bjx h ILE 212 CO -0.18 0.00 0.78 0.11 0.00 0.00 0.00 178.15 178.86 1bjx h LYS 213 N -0.35 0.03 -0.00 2.37 1.57 -1.32 1.18 116.57 120.04 1bjx h LYS 213 Ca 0.13 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1bjx h LYS 213 Cb 0.57 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1bjx h LYS 213 CO -0.47 0.02 -0.28 0.72 -0.57 0.00 0.00 179.45 178.87 1bjx n HIS 214 N -4.24 0.00 0.00 -1.35 8.25 0.88 -4.42 115.22 114.34 1bjx n HIS 214 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1bjx n HIS 214 Cb 1.14 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 32.03 1bjx n HIS 214 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1bjx n ASN 215 N -1.09 0.00 -4.61 0.41 5.03 0.41 -4.87 115.26 110.52 1bjx n ASN 215 Ca 0.10 0.26 -0.31 0.00 0.87 0.00 0.00 54.58 55.50 1bjx n ASN 215 Cb 0.33 -0.48 0.18 0.00 -1.02 0.00 0.00 39.78 38.79 1bjx n ASN 215 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1bjx n GLN 216 N -2.18 -0.76 -2.76 3.52 10.64 -1.08 -4.43 117.38 120.32 1bjx n GLN 216 Ca 0.00 -0.16 -0.04 0.00 -1.83 0.00 0.00 57.00 54.97 1bjx n GLN 216 Cb 0.00 -2.30 -0.03 0.00 -0.86 0.00 0.00 30.24 27.05 1bjx n GLN 216 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1bjx n LEU 217 N -4.09 -5.75 -4.61 2.61 4.77 -1.26 -4.77 117.00 103.89 1bjx n LEU 217 Ca 0.10 1.86 -0.43 0.00 -0.03 0.00 0.00 56.01 57.51 1bjx n LEU 217 Cb 0.53 -2.75 -0.03 0.00 -2.33 0.00 0.00 43.42 38.84 1bjx n LEU 217 CO 0.50 -3.63 1.43 -2.16 -1.33 0.00 0.00 177.39 172.20 1bjx s PRO 218 N -0.52 3.55 -0.33 3.23 0.04 -1.26 -4.95 135.00 134.76 1bjx s PRO 218 Ca -0.19 1.45 -0.17 0.00 0.04 0.00 0.00 61.00 62.13 1bjx s PRO 218 Cb 0.01 -4.11 -0.01 0.00 0.04 0.00 0.00 34.50 30.43 1bjx s PRO 218 CO 0.55 -1.59 0.47 -0.51 0.04 0.00 0.00 177.00 175.96 1bjx s LEU 219 N 6.02 4.31 -0.98 -3.56 1.43 -1.26 -4.97 118.68 119.66 1bjx s LEU 219 Ca 0.74 0.01 -0.00 0.00 -1.03 0.00 0.00 54.13 53.85 1bjx s LEU 219 Cb -0.22 -2.53 0.32 0.00 0.03 0.00 0.00 46.19 43.79 1bjx s LEU 219 CO 0.32 -0.41 1.73 0.52 0.23 0.00 0.00 176.35 178.74 1bjx n VAL 220 N 5.34 5.79 0.18 -1.59 0.31 -1.26 -4.72 118.33 122.38 1bjx n VAL 220 Ca -0.06 -5.95 0.04 0.00 -0.01 0.00 0.00 64.34 58.37 1bjx n VAL 220 Cb 0.49 -1.54 0.20 0.00 -0.91 0.00 0.00 33.84 32.08 1bjx n VAL 220 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bjx n ILE 221 N -0.06 1.24 -2.16 2.52 3.06 -1.26 -3.92 119.36 118.78 1bjx n ILE 221 Ca 0.45 -0.68 -0.01 0.00 -2.50 0.00 0.00 62.75 60.01 1bjx n ILE 221 Cb 0.28 -0.25 -0.01 0.00 0.54 0.00 0.00 39.64 40.19 1bjx n ILE 221 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1bjx n GLU 222 N 0.39 0.00 -1.49 9.51 4.71 -1.26 -5.14 120.64 127.36 1bjx n GLU 222 Ca 0.14 -1.12 0.13 0.00 -0.01 0.00 0.00 57.16 56.30 1bjx n GLU 222 Cb 0.65 0.04 -0.07 0.00 -1.01 0.00 0.00 31.44 31.06 1bjx n GLU 222 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1bjx n PHE 223 N 0.16 -3.96 -3.66 -0.32 -0.00 -1.25 -4.91 117.46 103.51 1bjx n PHE 223 Ca -0.06 2.18 -0.28 0.00 -0.00 0.00 0.00 57.45 59.29 1bjx n PHE 223 Cb 0.80 -3.52 -0.16 0.00 -0.00 0.00 0.00 39.48 36.60 1bjx n PHE 223 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 1bjx s THR 224 N -4.66 0.28 0.11 -2.13 2.01 -1.26 -5.05 115.64 104.93 1bjx s THR 224 Ca 0.00 -0.62 -0.33 0.00 0.31 0.00 0.00 61.69 61.04 1bjx s THR 224 Cb 0.00 -0.99 -0.13 0.00 0.01 0.00 0.00 72.50 71.39 1bjx s THR 224 CO 0.00 -0.42 1.71 -0.62 -0.69 0.00 0.00 174.62 174.60 1bjx n GLU 225 N 5.13 2.35 -3.71 4.92 4.71 -1.26 -4.97 120.64 127.80 1bjx n GLU 225 Ca -0.07 0.85 -0.14 0.00 -0.01 0.00 0.00 57.16 57.80 1bjx n GLU 225 Cb 0.46 -2.67 -0.14 0.00 -1.01 0.00 0.00 31.44 28.08 1bjx n GLU 225 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 177.13 176.08 1bjx s GLN 226 N 1.98 0.14 0.02 3.49 0.74 -1.26 -5.15 119.66 119.61 1bjx s GLN 226 Ca 0.82 0.53 -0.07 0.00 0.05 0.00 0.00 55.36 56.68 1bjx s GLN 226 Cb -0.62 -0.15 -0.00 0.00 1.10 0.00 0.00 33.01 33.34 1bjx s GLN 226 CO 0.40 -0.21 0.13 -0.08 -0.55 0.00 0.00 175.29 174.99 1bjx s THR 227 N 1.59 0.10 -2.54 -0.34 -1.32 -1.26 -5.35 115.64 106.52 1bjx s THR 227 Ca -0.06 -0.83 0.28 0.00 -1.21 0.00 0.00 61.69 59.87 1bjx s THR 227 Cb -0.11 -0.63 0.52 0.00 -1.51 0.00 0.00 72.50 70.77 1bjx s THR 227 CO -0.07 -0.46 1.70 0.00 -2.21 0.00 0.00 174.62 173.58