#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jxi h LYS 133 N 0.00 0.20 -4.87 2.12 1.57 -1.92 -3.43 116.57 110.24 3jxi h LYS 133 Ca 0.00 -0.35 -0.67 0.00 -1.87 0.00 0.00 60.65 57.76 3jxi h LYS 133 Cb 0.00 0.13 -0.32 0.00 0.08 0.00 0.00 32.23 32.12 3jxi h LYS 133 CO 0.00 1.09 -0.74 0.08 -0.57 0.00 0.00 179.45 179.31 3jxi s VAL 134 N -2.64 2.87 0.16 0.50 1.01 -1.26 -4.94 120.40 116.10 3jxi s VAL 134 Ca -0.06 -1.14 0.10 0.00 0.00 0.00 0.00 61.98 60.89 3jxi s VAL 134 Cb 0.07 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 3jxi s VAL 134 CO 0.86 0.12 -0.20 -0.36 0.00 0.00 0.00 175.10 175.51 3jxi s PHE 135 N 1.30 2.44 0.22 5.22 0.08 -1.26 -5.10 117.98 120.88 3jxi s PHE 135 Ca -0.02 -0.30 -0.11 0.00 0.12 0.00 0.00 56.93 56.62 3jxi s PHE 135 Cb -0.18 -1.25 -0.01 0.00 -0.57 0.00 0.00 43.02 41.02 3jxi s PHE 135 CO -0.04 0.44 0.40 0.54 -0.10 0.00 0.00 175.22 176.47 3jxi s ASN 136 N -2.46 -0.05 0.17 1.36 6.03 -1.26 -5.04 114.94 113.69 3jxi s ASN 136 Ca 0.20 -0.95 -0.14 0.00 -1.03 0.00 0.00 52.86 50.93 3jxi s ASN 136 Cb -0.09 0.53 0.10 0.00 -3.03 0.00 0.00 41.25 38.76 3jxi s ASN 136 CO 0.10 -1.05 1.78 -0.09 -2.03 0.00 0.00 177.10 175.81 3jxi h ARG 137 N 2.35 0.43 -0.44 3.55 2.43 -1.93 0.80 114.38 121.57 3jxi h ARG 137 Ca -0.29 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 58.89 3jxi h ARG 137 Cb 1.25 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.66 3jxi h ARG 137 CO 0.40 0.28 0.22 -1.35 -1.51 0.00 0.00 179.97 178.01 3jxi h PRO 138 N 0.44 0.43 0.10 0.20 0.11 -1.98 -0.35 132.00 130.96 3jxi h PRO 138 Ca 0.20 -0.03 -0.28 0.00 0.11 0.00 0.00 66.00 66.00 3jxi h PRO 138 Cb 0.11 -0.10 0.02 0.00 0.11 0.00 0.00 31.00 31.14 3jxi h PRO 138 CO -0.14 0.28 -1.19 -0.84 -0.21 0.00 0.00 178.00 175.90 3jxi h ILE 139 N 0.44 1.38 0.23 4.15 3.07 -1.91 0.16 117.51 125.03 3jxi h ILE 139 Ca 0.19 -2.66 0.00 0.00 1.55 0.00 0.00 64.86 63.94 3jxi h ILE 139 Cb 0.09 2.73 -0.02 0.00 -0.27 0.00 0.00 36.82 39.35 3jxi h ILE 139 CO -0.13 0.79 -0.25 0.25 -1.05 0.00 0.00 178.15 177.76 3jxi h LEU 140 N 0.19 -0.69 -1.14 0.16 5.85 -0.82 0.06 115.31 118.93 3jxi h LEU 140 Ca -0.15 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.69 3jxi h LEU 140 Cb 1.87 0.24 -0.06 0.00 0.37 0.00 0.00 40.66 43.08 3jxi h LEU 140 CO 0.21 -0.37 0.59 -0.26 -0.34 0.00 0.00 178.44 178.28 3jxi h PHE 141 N -0.53 1.07 -0.19 1.25 -1.00 -1.01 -1.16 116.94 115.37 3jxi h PHE 141 Ca -0.00 0.03 -0.09 0.00 2.81 0.00 0.00 57.97 60.72 3jxi h PHE 141 Cb 0.50 -0.35 -0.01 0.00 3.61 0.00 0.00 35.95 39.69 3jxi h PHE 141 CO -0.18 0.59 -0.26 0.22 -1.61 0.00 0.00 178.31 177.07 3jxi h ASP 142 N 1.08 0.35 -0.06 2.17 1.82 -0.35 0.36 116.42 121.79 3jxi h ASP 142 Ca 0.38 -0.12 -0.22 0.00 -0.39 0.00 0.00 57.03 56.68 3jxi h ASP 142 Cb 0.12 -0.10 0.01 0.00 0.68 0.00 0.00 39.33 40.04 3jxi h ASP 142 CO -0.13 0.62 -0.80 0.40 -1.61 0.00 0.00 179.24 177.72 3jxi h ILE 143 N 0.32 1.29 0.08 2.25 2.04 -0.04 -1.05 117.51 122.41 3jxi h ILE 143 Ca 0.05 -2.03 -0.27 0.00 1.00 0.00 0.00 64.86 63.61 3jxi h ILE 143 Cb 0.64 2.04 0.02 0.00 -0.74 0.00 0.00 36.82 38.77 3jxi h ILE 143 CO 0.05 0.64 -1.15 -0.37 0.00 0.00 0.00 178.15 177.31 3jxi h VAL 144 N 0.49 1.37 -0.02 1.67 -1.51 -1.11 0.60 116.25 117.73 3jxi h VAL 144 Ca -0.06 -2.59 -0.13 0.00 -1.23 0.00 0.00 66.70 62.69 3jxi h VAL 144 Cb 1.42 2.66 -0.02 0.00 -2.13 0.00 0.00 31.29 33.23 3jxi h VAL 144 CO 0.16 0.78 -0.58 0.28 -1.23 0.00 0.00 177.57 176.98 3jxi h SER 145 N 0.22 0.08 1.14 4.19 0.02 -0.32 -2.23 113.55 116.65 3jxi h SER 145 Ca -0.14 -0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 60.61 3jxi h SER 145 Cb 1.82 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 64.32 3jxi h SER 145 CO 0.21 0.64 -0.90 0.03 -1.14 0.00 0.00 176.83 175.67 3jxi h ARG 146 N 0.05 0.00 -1.68 3.45 3.08 -1.28 -3.47 114.38 114.53 3jxi h ARG 146 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3jxi h ARG 146 Cb 1.04 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.09 3jxi h ARG 146 CO 0.08 0.53 -0.03 0.41 -1.07 0.00 0.00 179.97 179.89 3jxi n GLY 147 N 1.31 0.65 3.40 0.04 0.00 0.13 -5.05 105.19 105.67 3jxi n GLY 147 Ca -0.02 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 3jxi n GLY 147 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3jxi s SER 148 N -3.03 5.05 0.56 1.61 0.15 -0.75 -4.50 113.70 112.78 3jxi s SER 148 Ca 0.01 -0.39 0.25 0.00 0.70 0.00 0.00 55.95 56.52 3jxi s SER 148 Cb -0.01 -1.89 1.63 0.00 -1.71 0.00 0.00 66.02 64.04 3jxi s SER 148 CO 0.03 -0.09 2.21 -0.65 1.20 0.00 0.00 173.24 175.95 3jxi h PRO 149 N 8.23 0.00 -7.13 5.44 0.11 -1.87 -3.41 132.00 133.37 3jxi h PRO 149 Ca -0.36 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.24 3jxi h PRO 149 Cb 1.16 0.00 0.08 0.00 0.11 0.00 0.00 31.00 32.35 3jxi h PRO 149 CO 0.59 0.01 0.41 -0.51 -0.21 0.00 0.00 178.00 178.29 3jxi s ASP 150 N -6.45 5.56 0.00 -2.05 1.11 -1.26 -3.04 116.67 110.54 3jxi s ASP 150 Ca -0.05 2.08 0.00 0.00 0.18 0.00 0.00 52.55 54.76 3jxi s ASP 150 Cb 0.16 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.58 3jxi s ASP 150 CO 0.59 -1.33 0.00 0.61 1.18 0.00 0.00 175.17 176.22 3jxi n GLY 151 N -0.16 0.53 0.02 0.21 0.00 -1.26 -4.82 105.19 99.70 3jxi n GLY 151 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.17 3jxi n GLY 151 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3jxi n LEU 152 N 0.00 0.00 -4.75 0.99 4.77 -1.17 -4.89 117.00 111.95 3jxi n LEU 152 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 3jxi n LEU 152 Cb 0.06 0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 3jxi n LEU 152 CO 0.00 0.06 1.26 -1.83 -1.33 0.00 0.00 177.39 175.55 3jxi s GLU 153 N -2.76 4.11 0.00 3.23 1.03 -1.26 -0.55 118.70 122.50 3jxi s GLU 153 Ca -0.05 2.60 0.00 0.00 0.03 0.00 0.00 54.97 57.56 3jxi s GLU 153 Cb 0.07 -3.02 0.00 0.00 -0.80 0.00 0.00 34.13 30.38 3jxi s GLU 153 CO 0.52 -0.66 0.00 0.41 -1.33 0.00 0.00 175.26 174.20 3jxi n GLY 154 N 2.25 0.68 0.15 -3.83 0.00 -1.26 -0.48 105.19 102.70 3jxi n GLY 154 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 3jxi n GLY 154 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3jxi h LEU 155 N 0.00 0.53 -1.80 0.99 5.85 -1.10 -0.71 115.31 119.07 3jxi h LEU 155 Ca 0.00 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 58.08 3jxi h LEU 155 Cb 0.00 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.87 3jxi h LEU 155 CO 0.00 1.08 0.00 0.25 -0.34 0.00 0.00 178.44 179.43 3jxi h LEU 156 N 0.00 0.00 0.00 2.25 5.85 -1.94 0.21 115.31 121.69 3jxi h LEU 156 Ca -0.03 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3jxi h LEU 156 Cb 1.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3jxi h LEU 156 CO 0.09 0.00 -0.00 0.28 -0.34 0.00 0.00 178.44 178.47 3jxi h SER 157 N 0.00 -0.00 0.00 1.25 0.02 -1.93 -3.38 113.55 109.51 3jxi h SER 157 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3jxi h SER 157 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 3jxi h SER 157 CO 0.00 0.00 0.03 0.33 -1.14 0.00 0.00 176.83 176.06 3jxi n PHE 158 N -2.04 0.60 0.86 3.45 7.35 -0.28 0.22 117.46 127.63 3jxi n PHE 158 Ca -0.00 0.32 0.00 0.00 -0.76 0.00 0.00 57.45 57.01 3jxi n PHE 158 Cb 0.00 -0.98 0.00 0.00 0.35 0.00 0.00 39.48 38.85 3jxi n PHE 158 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 3jxi n LEU 159 N -2.13 0.41 0.09 -2.13 7.94 0.72 -3.47 117.00 118.43 3jxi n LEU 159 Ca -0.01 -0.20 0.00 0.00 -1.11 0.00 0.00 56.01 54.68 3jxi n LEU 159 Cb 0.06 -0.20 0.00 0.00 0.53 0.00 0.00 43.42 43.81 3jxi n LEU 159 CO 0.08 0.10 0.00 -0.11 -1.11 0.00 0.00 177.39 176.35 3jxi n LEU 160 N -0.06 -0.50 0.02 -1.96 0.00 0.60 -4.77 117.00 110.34 3jxi n LEU 160 Ca 0.00 0.32 0.01 0.00 0.00 0.00 0.00 56.01 56.34 3jxi n LEU 160 Cb 0.10 0.61 0.07 0.00 0.00 0.00 0.00 43.42 44.20 3jxi n LEU 160 CO 0.00 -0.56 0.55 1.07 0.00 0.00 0.00 177.39 178.45 3jxi n THR 161 N -3.05 1.44 -0.07 1.96 5.66 -0.70 -1.81 114.28 117.71 3jxi n THR 161 Ca 0.00 0.54 0.00 0.00 -3.05 0.00 0.00 64.05 61.54 3jxi n THR 161 Cb 0.00 -1.54 0.00 0.00 -1.55 0.00 0.00 70.33 67.24 3jxi n THR 161 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3jxi n HIS 162 N -1.50 0.00 -2.92 1.09 8.25 -1.23 -5.03 115.22 113.88 3jxi n HIS 162 Ca -0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.40 3jxi n HIS 162 Cb 0.12 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.26 3jxi n HIS 162 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3jxi n LYS 163 N -0.50 -1.49 -4.29 -0.41 5.02 -0.75 -5.06 118.16 110.67 3jxi n LYS 163 Ca 0.00 1.10 -0.20 0.00 -2.02 0.00 0.00 58.31 57.20 3jxi n LYS 163 Cb 0.02 -5.22 -0.08 0.00 -0.02 0.00 0.00 35.03 29.72 3jxi n LYS 163 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3jxi s LYS 164 N -3.52 1.75 0.22 1.97 1.02 -1.26 -5.08 119.74 114.84 3jxi s LYS 164 Ca 0.17 -2.02 0.01 0.00 0.02 0.00 0.00 55.97 54.15 3jxi s LYS 164 Cb -0.02 0.29 -0.05 0.00 -0.52 0.00 0.00 37.83 37.53 3jxi s LYS 164 CO 0.65 -0.64 0.09 1.03 -0.92 0.00 0.00 175.35 175.55 3jxi s ARG 165 N -3.47 1.27 0.39 1.68 0.52 -1.26 -4.83 118.95 113.25 3jxi s ARG 165 Ca 0.40 -1.67 0.23 0.00 -0.52 0.00 0.00 55.73 54.18 3jxi s ARG 165 Cb 0.02 -0.09 0.30 0.00 0.52 0.00 0.00 34.95 35.71 3jxi s ARG 165 CO 0.27 -0.29 1.52 -0.07 0.02 0.00 0.00 175.30 176.75 3jxi h LEU 166 N 2.53 0.00 -1.10 2.53 3.38 -2.00 -3.22 115.31 117.43 3jxi h LEU 166 Ca -0.37 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3jxi h LEU 166 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3jxi h LEU 166 CO 0.59 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.47 3jxi n THR 167 N -2.99 0.01 -1.00 0.22 -2.24 -1.26 -4.43 114.28 102.59 3jxi n THR 167 Ca 0.03 -0.29 -0.33 0.00 -2.27 0.00 0.00 64.05 61.19 3jxi n THR 167 Cb 0.53 0.62 0.12 0.00 -2.10 0.00 0.00 70.33 69.51 3jxi n THR 167 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3jxi n ASP 168 N 0.33 -0.05 -0.01 3.42 9.92 -1.22 -4.81 116.55 124.14 3jxi n ASP 168 Ca 0.18 0.51 -0.06 0.00 -0.53 0.00 0.00 54.79 54.89 3jxi n ASP 168 Cb 0.39 -1.40 0.12 0.00 -0.64 0.00 0.00 41.12 39.59 3jxi n ASP 168 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 3jxi h GLU 169 N -1.10 0.56 0.00 -1.24 4.39 -1.92 -1.67 114.58 113.59 3jxi h GLU 169 Ca -0.45 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 58.99 3jxi h GLU 169 Cb 1.30 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 3jxi h GLU 169 CO 0.42 0.84 0.00 1.05 -1.16 0.00 0.00 179.01 180.16 3jxi h GLU 170 N 0.47 0.00 -0.11 2.33 4.11 -1.96 -2.91 114.58 116.51 3jxi h GLU 170 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 3jxi h GLU 170 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3jxi h GLU 170 CO 0.07 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.34 3jxi n PHE 171 N -2.94 0.13 -3.67 2.06 3.72 -1.02 -4.15 117.46 111.58 3jxi n PHE 171 Ca -0.00 -0.13 -0.27 0.00 -0.05 0.00 0.00 57.45 56.99 3jxi n PHE 171 Cb 0.21 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.71 3jxi n PHE 171 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3jxi s ARG 172 N -0.98 3.53 0.10 -1.08 0.52 -0.66 -4.52 118.95 115.86 3jxi s ARG 172 Ca 0.16 -0.32 -0.31 0.00 -0.52 0.00 0.00 55.73 54.74 3jxi s ARG 172 Cb 0.10 -2.83 -0.08 0.00 0.52 0.00 0.00 34.95 32.67 3jxi s ARG 172 CO 0.15 0.39 1.49 -1.21 0.02 0.00 0.00 175.30 176.14 3jxi s GLU 173 N -3.33 4.26 0.43 3.54 2.02 -1.11 -4.85 118.70 119.66 3jxi s GLU 173 Ca 0.39 2.18 0.09 0.00 0.02 0.00 0.00 54.97 57.65 3jxi s GLU 173 Cb -0.11 -3.36 0.92 0.00 0.10 0.00 0.00 34.13 31.68 3jxi s GLU 173 CO 0.29 -0.57 2.04 -1.35 0.02 0.00 0.00 175.26 175.70 3jxi h PRO 174 N 7.33 0.37 -0.01 0.39 0.11 -1.95 0.46 132.00 138.69 3jxi h PRO 174 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3jxi h PRO 174 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3jxi h PRO 174 CO 0.90 0.29 -0.62 -1.13 -0.21 0.00 0.00 178.00 177.23 3jxi n SER 175 N -4.44 1.54 0.00 -2.05 3.41 -1.26 -4.67 113.62 106.15 3jxi n SER 175 Ca 0.01 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.35 3jxi n SER 175 Cb 0.11 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 3jxi n SER 175 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3jxi n THR 176 N -0.59 0.00 -1.86 6.66 -2.24 -1.21 -4.98 114.28 110.06 3jxi n THR 176 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3jxi n THR 176 Cb 0.38 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 3jxi n THR 176 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jxi n GLY 177 N 1.25 0.88 3.58 3.38 0.00 0.15 -3.10 105.19 111.33 3jxi n GLY 177 Ca 0.00 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 3jxi n GLY 177 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jxi s LYS 178 N -3.68 2.31 1.00 1.61 -2.85 -1.26 -4.53 119.74 112.34 3jxi s LYS 178 Ca 0.00 -0.89 -0.15 0.00 -1.00 0.00 0.00 55.97 53.93 3jxi s LYS 178 Cb 0.00 -2.38 0.19 0.00 -2.06 0.00 0.00 37.83 33.58 3jxi s LYS 178 CO 0.00 0.55 1.16 0.99 0.10 0.00 0.00 175.35 178.15 3jxi s THR 179 N -1.10 1.91 0.43 3.79 2.01 -1.26 -2.73 115.64 118.68 3jxi s THR 179 Ca 0.19 0.00 0.38 0.00 0.31 0.00 0.00 61.69 62.57 3jxi s THR 179 Cb -0.11 -2.71 0.40 0.00 0.01 0.00 0.00 72.50 70.09 3jxi s THR 179 CO 0.11 0.00 2.19 0.00 -0.69 0.00 0.00 174.62 176.22 3jxi h LEU 181 N 0.00 0.54 -0.95 0.00 5.85 -1.93 -1.52 115.31 117.32 3jxi h LEU 181 Ca -0.00 -0.68 0.07 0.00 0.84 0.00 0.00 57.88 58.10 3jxi h LEU 181 Cb 0.24 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.04 3jxi h LEU 181 CO 0.00 1.14 0.60 -0.65 -0.34 0.00 0.00 178.44 179.20 3jxi h PRO 182 N -0.02 1.05 -0.34 5.25 0.11 -1.93 -0.61 132.00 135.50 3jxi h PRO 182 Ca -0.04 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 66.03 3jxi h PRO 182 Cb 1.17 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 3jxi h PRO 182 CO 0.10 0.69 0.23 -0.22 -0.21 0.00 0.00 178.00 178.59 3jxi h LYS 183 N 1.08 0.35 -0.02 1.05 1.63 -1.50 0.08 116.57 119.25 3jxi h LYS 183 Ca 0.41 -0.02 -0.11 0.00 -0.85 0.00 0.00 60.65 60.08 3jxi h LYS 183 Cb 0.19 -0.08 0.01 0.00 -0.60 0.00 0.00 32.23 31.75 3jxi h LYS 183 CO -0.18 0.23 -0.43 0.00 -3.45 0.00 0.00 179.45 175.62 3jxi h ALA 184 N 1.80 0.07 -0.23 5.00 0.00 -0.60 -2.95 119.26 122.35 3jxi h ALA 184 Ca 0.14 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 3jxi h ALA 184 Cb 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3jxi h ALA 184 CO -0.03 0.24 -0.11 -0.07 0.00 0.00 0.00 179.25 179.27 3jxi h LEU 185 N -0.24 0.36 0.00 0.00 -0.00 -0.92 -2.66 115.31 111.85 3jxi h LEU 185 Ca -0.05 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.75 3jxi h LEU 185 Cb 1.15 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.71 3jxi h LEU 185 CO 0.09 0.51 0.00 0.18 -0.00 0.00 0.00 178.44 179.22 3jxi n LEU 186 N -4.24 0.00 -3.37 1.67 4.77 -0.01 -4.01 117.00 111.82 3jxi n LEU 186 Ca 0.00 0.32 -0.26 0.00 -0.03 0.00 0.00 56.01 56.04 3jxi n LEU 186 Cb 0.29 -0.32 -0.08 0.00 -2.33 0.00 0.00 43.42 40.98 3jxi n LEU 186 CO 0.39 -0.02 -0.16 0.59 -1.33 0.00 0.00 177.39 176.87 3jxi n ASN 187 N -1.32 1.47 -4.90 -1.43 3.02 -1.00 -5.06 115.26 106.04 3jxi n ASN 187 Ca 0.13 -2.93 -0.29 0.00 -0.03 0.00 0.00 54.58 51.46 3jxi n ASN 187 Cb 0.24 -0.65 0.06 0.00 -0.61 0.00 0.00 39.78 38.83 3jxi n ASN 187 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3jxi s LEU 188 N -1.41 2.81 -0.28 3.41 1.43 -1.25 -4.79 118.68 118.60 3jxi s LEU 188 Ca 0.35 0.89 0.02 0.00 -1.03 0.00 0.00 54.13 54.35 3jxi s LEU 188 Cb 0.12 -3.57 0.16 0.00 0.03 0.00 0.00 46.19 42.93 3jxi s LEU 188 CO -0.10 -1.51 0.45 -0.55 0.23 0.00 0.00 176.35 174.87 3jxi s SER 189 N -4.44 -0.10 -1.06 2.29 0.15 -0.34 -4.83 113.70 105.36 3jxi s SER 189 Ca 0.59 -0.09 -0.04 0.00 0.70 0.00 0.00 55.95 57.11 3jxi s SER 189 Cb -0.11 1.34 0.00 0.00 -1.71 0.00 0.00 66.02 65.55 3jxi s SER 189 CO 0.49 -0.33 0.57 0.00 1.20 0.00 0.00 173.24 175.17 3jxi n ALA 190 N 5.37 -0.77 -0.96 5.45 0.00 -1.26 -3.11 120.51 125.24 3jxi n ALA 190 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3jxi n ALA 190 Cb 0.50 -3.30 0.00 0.00 0.00 0.00 0.00 19.45 16.65 3jxi n ALA 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jxi n GLY 191 N -1.39 0.63 3.04 0.00 0.00 -1.26 -5.01 105.19 101.20 3jxi n GLY 191 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 3jxi n GLY 191 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jxi s ARG 192 N -0.25 0.53 -0.21 1.61 1.81 -1.18 -5.00 118.95 116.27 3jxi s ARG 192 Ca 0.00 -0.59 -0.01 0.00 -1.72 0.00 0.00 55.73 53.41 3jxi s ARG 192 Cb 0.00 -0.39 0.06 0.00 -0.45 0.00 0.00 34.95 34.17 3jxi s ARG 192 CO 0.00 0.08 -0.00 1.21 -0.68 0.00 0.00 175.30 175.91 3jxi s ASN 193 N -1.11 3.28 0.00 0.23 3.84 -1.26 -1.20 114.94 118.72 3jxi s ASN 193 Ca -0.05 -0.96 0.21 0.00 0.21 0.00 0.00 52.86 52.27 3jxi s ASN 193 Cb -0.07 -0.84 1.07 0.00 -0.55 0.00 0.00 41.25 40.85 3jxi s ASN 193 CO 0.00 -0.27 1.67 0.47 -2.79 0.00 0.00 177.10 176.18 3jxi n ASP 194 N 4.89 0.00 0.19 -4.21 10.43 -1.26 -1.82 116.55 124.77 3jxi n ASP 194 Ca -0.10 -0.02 0.06 0.00 2.57 0.00 0.00 54.79 57.30 3jxi n ASP 194 Cb 0.46 -0.28 0.36 0.00 1.84 0.00 0.00 41.12 43.49 3jxi n ASP 194 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 3jxi h THR 195 N 0.00 0.83 0.04 -3.53 1.35 -1.88 -3.37 112.91 106.34 3jxi h THR 195 Ca 0.00 -1.44 0.01 0.00 -0.55 0.00 0.00 66.41 64.43 3jxi h THR 195 Cb 0.20 1.90 -0.02 0.00 -1.73 0.00 0.00 68.15 68.49 3jxi h THR 195 CO 0.00 0.34 -0.11 0.40 -0.25 0.00 0.00 175.52 175.90 3jxi h ILE 196 N 0.00 0.74 0.00 6.82 2.04 -1.78 0.66 117.51 126.00 3jxi h ILE 196 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3jxi h ILE 196 Cb 0.87 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3jxi h ILE 196 CO 0.05 0.00 0.00 1.55 0.00 0.00 0.00 178.15 179.75 3jxi h PRO 197 N -0.20 0.00 -0.02 2.37 0.13 -1.79 -1.89 132.00 130.60 3jxi h PRO 197 Ca 0.03 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.06 3jxi h PRO 197 Cb 0.23 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.37 3jxi h PRO 197 CO -0.08 0.00 -0.37 0.82 -0.23 0.00 0.00 178.00 178.14 3jxi h ILE 198 N 0.00 1.48 -0.72 -3.56 5.03 -1.54 -3.08 117.51 115.12 3jxi h ILE 198 Ca 0.00 -1.94 -0.05 0.00 -0.12 0.00 0.00 64.86 62.75 3jxi h ILE 198 Cb 0.42 2.61 -0.03 0.00 -3.03 0.00 0.00 36.82 36.79 3jxi h ILE 198 CO 0.00 0.55 0.24 -0.07 -0.68 0.00 0.00 178.15 178.19 3jxi h LEU 199 N -0.30 1.02 -1.07 1.44 3.38 -0.62 0.43 115.31 119.58 3jxi h LEU 199 Ca -0.04 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 3jxi h LEU 199 Cb 1.09 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 3jxi h LEU 199 CO 0.07 0.93 0.06 -0.07 0.09 0.00 0.00 178.44 179.52 3jxi h LEU 200 N 1.06 0.67 -0.01 1.67 3.38 -1.47 0.59 115.31 121.21 3jxi h LEU 200 Ca 0.24 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3jxi h LEU 200 Cb 0.27 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3jxi h LEU 200 CO -0.01 0.71 -0.06 -0.78 0.09 0.00 0.00 178.44 178.38 3jxi h ASP 201 N 0.68 0.07 -0.55 -0.43 3.58 -1.35 -1.40 116.42 117.03 3jxi h ASP 201 Ca 0.15 -0.70 0.09 0.00 0.42 0.00 0.00 57.03 56.98 3jxi h ASP 201 Cb 0.34 -0.02 -0.07 0.00 1.72 0.00 0.00 39.33 41.30 3jxi h ASP 201 CO 0.01 0.76 0.16 0.40 -2.88 0.00 0.00 179.24 177.69 3jxi h ILE 202 N -0.62 0.75 0.00 2.25 2.04 -0.87 -1.85 117.51 119.21 3jxi h ILE 202 Ca -0.01 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 3jxi h ILE 202 Cb 0.76 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3jxi h ILE 202 CO 0.01 0.06 -0.22 0.00 0.00 0.00 0.00 178.15 178.00 3jxi h ALA 203 N 1.40 1.25 -0.53 1.87 0.00 0.16 -1.36 119.26 122.05 3jxi h ALA 203 Ca 0.27 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3jxi h ALA 203 Cb 0.35 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3jxi h ALA 203 CO -0.31 0.28 0.02 1.49 0.00 0.00 0.00 179.25 180.72 3jxi h GLU 204 N 0.00 0.92 -0.00 0.00 4.81 -0.49 -0.97 114.58 118.84 3jxi h GLU 204 Ca -0.00 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3jxi h GLU 204 Cb 0.53 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3jxi h GLU 204 CO 0.03 0.93 -0.13 1.63 -0.73 0.00 0.00 179.01 180.74 3jxi n LYS 205 N -4.30 0.20 0.00 1.92 5.02 -0.73 -3.25 118.16 117.01 3jxi n LYS 205 Ca 0.01 -0.05 0.12 0.00 -2.02 0.00 0.00 58.31 56.38 3jxi n LYS 205 Cb 0.31 -1.50 0.26 0.00 -0.02 0.00 0.00 35.03 34.08 3jxi n LYS 205 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 3jxi n THR 206 N -1.35 0.00 -2.84 -0.18 5.66 -0.59 -4.97 114.28 110.01 3jxi n THR 206 Ca 0.09 -0.08 -0.10 0.00 -3.05 0.00 0.00 64.05 60.92 3jxi n THR 206 Cb 0.31 0.47 0.04 0.00 -1.55 0.00 0.00 70.33 69.60 3jxi n THR 206 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3jxi n GLY 207 N 1.42 0.16 0.00 1.09 0.00 -1.20 -4.96 105.19 101.70 3jxi n GLY 207 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3jxi n GLY 207 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jxi n ASN 208 N -1.32 0.00 -0.09 1.61 5.15 -1.06 -4.99 115.26 114.56 3jxi n ASN 208 Ca -0.07 -0.42 -0.06 0.00 -0.60 0.00 0.00 54.58 53.43 3jxi n ASN 208 Cb 0.55 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.80 3jxi n ASN 208 CO 0.00 0.00 0.00 -0.03 1.40 0.00 0.00 177.26 178.63 3jxi h MET 209 N 0.00 -0.03 0.00 1.20 4.05 -1.48 0.82 114.93 119.49 3jxi h MET 209 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3jxi h MET 209 Cb 0.21 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.02 3jxi h MET 209 CO 0.00 -0.02 0.00 0.00 0.23 0.00 0.00 176.91 177.12 3jxi h ARG 210 N -0.03 0.00 -0.23 0.39 3.08 -1.88 0.17 114.38 115.88 3jxi h ARG 210 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3jxi h ARG 210 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3jxi h ARG 210 CO -0.36 0.00 0.00 -1.91 -1.07 0.00 0.00 179.97 176.63 3jxi n GLU 211 N -2.77 1.94 -0.03 0.04 2.13 0.06 -3.07 120.64 118.93 3jxi n GLU 211 Ca 0.03 -1.41 -0.05 0.00 0.66 0.00 0.00 57.16 56.40 3jxi n GLU 211 Cb 0.42 -1.42 -0.02 0.00 0.27 0.00 0.00 31.44 30.69 3jxi n GLU 211 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3jxi n PHE 212 N 0.64 0.00 0.25 4.31 -0.00 0.06 -4.11 117.46 118.60 3jxi n PHE 212 Ca 0.17 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.46 3jxi n PHE 212 Cb 0.40 -0.21 -0.08 0.00 -0.00 0.00 0.00 39.48 39.59 3jxi n PHE 212 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 3jxi h ILE 213 N -0.07 0.55 -0.32 -2.13 2.04 -0.87 -3.19 117.51 113.51 3jxi h ILE 213 Ca -0.13 -0.17 -0.17 0.00 1.00 0.00 0.00 64.86 65.38 3jxi h ILE 213 Cb 1.17 0.63 -0.10 0.00 -0.74 0.00 0.00 36.82 37.79 3jxi h ILE 213 CO -0.04 0.03 0.22 0.59 0.00 0.00 0.00 178.15 178.95 3jxi n ASN 214 N -5.31 3.64 -4.54 1.72 3.02 -1.18 -3.28 115.26 109.33 3jxi n ASN 214 Ca -0.11 -2.56 -0.42 0.00 -0.03 0.00 0.00 54.58 51.45 3jxi n ASN 214 Cb 0.28 -0.67 -0.07 0.00 -0.61 0.00 0.00 39.78 38.70 3jxi n ASN 214 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3jxi s SER 215 N 0.33 6.33 0.28 6.41 0.15 -1.21 -4.91 113.70 121.08 3jxi s SER 215 Ca 0.19 -0.15 -0.21 0.00 0.70 0.00 0.00 55.95 56.48 3jxi s SER 215 Cb 0.16 -2.29 -0.09 0.00 -1.71 0.00 0.00 66.02 62.08 3jxi s SER 215 CO 0.03 -0.61 0.80 -2.16 1.20 0.00 0.00 173.24 172.50 3jxi s PRO 216 N 2.58 4.30 0.00 5.44 0.04 -1.26 -4.48 135.00 141.62 3jxi s PRO 216 Ca 0.21 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.22 3jxi s PRO 216 Cb -0.15 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.65 3jxi s PRO 216 CO 0.15 0.30 0.00 1.97 0.04 0.00 0.00 177.00 179.46 3jxi n PHE 217 N 0.42 0.00 -3.84 0.56 -1.74 -0.41 -4.90 117.46 107.55 3jxi n PHE 217 Ca 0.00 0.00 -0.07 0.00 -0.56 0.00 0.00 57.45 56.83 3jxi n PHE 217 Cb 0.51 0.00 -0.01 0.00 1.52 0.00 0.00 39.48 41.50 3jxi n PHE 217 CO 0.00 0.00 0.00 -0.98 -0.56 0.00 0.00 176.76 175.22 3jxi s ARG 218 N 0.55 1.75 0.29 3.97 1.70 -1.18 -1.16 118.95 124.87 3jxi s ARG 218 Ca 0.00 -0.99 -0.11 0.00 -0.47 0.00 0.00 55.73 54.15 3jxi s ARG 218 Cb 0.00 0.58 0.04 0.00 -0.57 0.00 0.00 34.95 35.00 3jxi s ARG 218 CO 0.00 -0.80 0.60 -0.40 -1.08 0.00 0.00 175.30 173.61 3jxi n ASP 219 N -0.59 -1.71 -0.35 -2.89 5.75 -0.23 -4.60 116.55 111.94 3jxi n ASP 219 Ca -0.05 -2.18 0.15 0.00 -0.01 0.00 0.00 54.79 52.71 3jxi n ASP 219 Cb 0.59 2.85 0.36 0.00 -1.03 0.00 0.00 41.12 43.89 3jxi n ASP 219 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 3jxi h VAL 220 N 1.74 0.63 0.00 2.12 3.04 -1.98 -3.24 116.25 118.56 3jxi h VAL 220 Ca -0.25 -0.23 -0.07 0.00 -1.01 0.00 0.00 66.70 65.14 3jxi h VAL 220 Cb 0.92 -0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.09 3jxi h VAL 220 CO 0.32 0.12 -0.49 1.88 -1.01 0.00 0.00 177.57 178.38 3jxi h TYR 221 N 0.68 0.00 -1.14 3.17 0.05 -1.97 -3.47 116.97 114.30 3jxi h TYR 221 Ca 0.61 0.00 -0.64 0.00 0.05 0.00 0.00 58.73 58.75 3jxi h TYR 221 Cb 1.05 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.66 3jxi h TYR 221 CO -0.00 0.69 -0.53 0.71 -1.05 0.00 0.00 178.16 177.97 3jxi s TYR 222 N -2.12 1.97 -0.07 4.88 2.02 -1.22 -3.60 117.35 119.20 3jxi s TYR 222 Ca -0.17 -0.97 -0.17 0.00 -0.37 0.00 0.00 57.07 55.39 3jxi s TYR 222 Cb 0.01 -1.54 0.04 0.00 -0.40 0.00 0.00 41.96 40.07 3jxi s TYR 222 CO 0.40 0.16 0.40 -0.98 -1.57 0.00 0.00 175.55 173.96 3jxi s ARG 223 N -3.82 0.67 0.00 -0.62 1.70 0.14 -1.06 118.95 115.96 3jxi s ARG 223 Ca 0.16 0.14 0.00 0.00 -0.47 0.00 0.00 55.73 55.56 3jxi s ARG 223 Cb 0.04 0.31 0.00 0.00 -0.57 0.00 0.00 34.95 34.72 3jxi s ARG 223 CO 0.08 -0.16 0.00 0.41 -1.08 0.00 0.00 175.30 174.55 3jxi n GLY 224 N 1.75 0.71 3.72 3.88 0.00 -0.31 -0.55 105.19 114.39 3jxi n GLY 224 Ca -0.18 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 3jxi n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jxi s GLN 225 N -0.68 4.39 0.50 1.61 -0.21 -1.20 -4.20 119.66 119.87 3jxi s GLN 225 Ca 0.00 1.91 0.08 0.00 0.02 0.00 0.00 55.36 57.37 3jxi s GLN 225 Cb 0.00 -3.29 0.04 0.00 1.00 0.00 0.00 33.01 30.76 3jxi s GLN 225 CO 0.00 -0.31 0.62 0.95 -2.12 0.00 0.00 175.29 174.43 3jxi s THR 226 N 0.94 2.47 0.40 -0.19 -4.23 -1.26 -1.29 115.64 112.48 3jxi s THR 226 Ca 0.60 -1.09 0.23 0.00 -1.18 0.00 0.00 61.69 60.25 3jxi s THR 226 Cb -0.33 -2.56 0.25 0.00 1.34 0.00 0.00 72.50 71.20 3jxi s THR 226 CO 0.31 0.00 2.02 0.00 -0.54 0.00 0.00 174.62 176.40 3jxi h ALA 227 N 0.51 1.36 0.00 3.99 0.00 -1.77 -2.15 119.26 121.20 3jxi h ALA 227 Ca -0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3jxi h ALA 227 Cb 1.28 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3jxi h ALA 227 CO 0.46 0.20 -0.04 1.25 0.00 0.00 0.00 179.25 181.12 3jxi h LEU 228 N 0.00 0.00 -0.25 0.00 5.85 -1.95 -2.62 115.31 116.34 3jxi h LEU 228 Ca -0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 3jxi h LEU 228 Cb 0.39 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3jxi h LEU 228 CO 0.02 0.04 -0.12 0.45 -0.34 0.00 0.00 178.44 178.50 3jxi h HIS 229 N 0.00 0.60 -0.32 1.25 3.86 -1.79 -1.99 115.15 116.76 3jxi h HIS 229 Ca -0.00 -0.15 -0.06 0.00 -1.16 0.00 0.00 60.37 59.00 3jxi h HIS 229 Cb 0.10 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 3jxi h HIS 229 CO 0.00 0.78 -0.03 0.82 0.86 0.00 0.00 177.93 180.36 3jxi h ILE 230 N 0.25 1.27 -0.36 2.45 2.04 -1.65 0.24 117.51 121.74 3jxi h ILE 230 Ca 0.06 -1.02 0.07 0.00 1.00 0.00 0.00 64.86 64.96 3jxi h ILE 230 Cb 0.62 1.29 -0.06 0.00 -0.74 0.00 0.00 36.82 37.94 3jxi h ILE 230 CO 0.04 0.33 -0.03 0.00 0.00 0.00 0.00 178.15 178.49 3jxi h ALA 231 N 0.83 0.31 0.83 1.87 0.00 -1.51 0.15 119.26 121.74 3jxi h ALA 231 Ca 0.09 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3jxi h ALA 231 Cb 0.49 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.50 3jxi h ALA 231 CO 0.02 -0.42 -0.40 0.82 0.00 0.00 0.00 179.25 179.27 3jxi h ILE 232 N 0.07 0.08 -0.68 0.00 2.04 -1.19 -0.30 117.51 117.53 3jxi h ILE 232 Ca 0.18 -0.13 0.13 0.00 1.00 0.00 0.00 64.86 66.05 3jxi h ILE 232 Cb 0.25 0.10 -0.10 0.00 -0.74 0.00 0.00 36.82 36.34 3jxi h ILE 232 CO -0.32 0.01 0.18 -0.08 0.00 0.00 0.00 178.15 177.94 3jxi h GLU 233 N -1.23 0.29 0.00 2.37 4.22 -0.31 0.39 114.58 120.31 3jxi h GLU 233 Ca -0.11 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.31 3jxi h GLU 233 Cb 0.87 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3jxi h GLU 233 CO 0.19 0.19 0.00 0.54 -2.18 0.00 0.00 179.01 177.75 3jxi n ARG 234 N -5.11 0.75 -2.83 1.92 5.12 0.49 -4.92 116.66 112.07 3jxi n ARG 234 Ca 0.12 0.01 -0.09 0.00 -1.93 0.00 0.00 57.85 55.96 3jxi n ARG 234 Cb 0.39 -1.50 0.03 0.00 -1.16 0.00 0.00 32.46 30.22 3jxi n ARG 234 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3jxi n ARG 235 N -1.09 -2.94 -3.47 5.56 1.74 0.14 -4.99 116.66 111.60 3jxi n ARG 235 Ca 0.19 0.32 -0.42 0.00 -0.77 0.00 0.00 57.85 57.17 3jxi n ARG 235 Cb 0.14 -3.80 -0.04 0.00 -1.02 0.00 0.00 32.46 27.74 3jxi n ARG 235 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jxi h LYS 237 N 6.92 0.00 0.78 0.00 3.64 -1.94 -1.09 116.57 124.88 3jxi h LYS 237 Ca 0.12 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 3jxi h LYS 237 Cb 0.92 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.75 3jxi h LYS 237 CO 0.84 0.00 -0.38 1.25 -2.27 0.00 0.00 179.45 178.90 3jxi h HIS 238 N 0.00 -0.97 0.00 1.91 2.76 -1.96 -2.89 115.15 114.00 3jxi h HIS 238 Ca 0.11 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 3jxi h HIS 238 Cb 0.47 0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.75 3jxi h HIS 238 CO 0.00 -0.60 0.00 1.88 -1.30 0.00 0.00 177.93 177.91 3jxi h TYR 239 N -1.28 0.00 0.06 5.26 0.99 -1.80 -1.17 116.97 119.03 3jxi h TYR 239 Ca -0.11 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.62 3jxi h TYR 239 Cb 0.81 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.54 3jxi h TYR 239 CO 0.00 0.00 -0.03 0.28 -0.00 0.00 0.00 178.16 178.41 3jxi h VAL 240 N 0.00 1.17 -0.78 -2.88 2.07 -1.30 -1.91 116.25 112.62 3jxi h VAL 240 Ca 0.00 -0.83 0.08 0.00 0.82 0.00 0.00 66.70 66.78 3jxi h VAL 240 Cb 0.51 1.71 -0.07 0.00 -1.52 0.00 0.00 31.29 31.93 3jxi h VAL 240 CO 0.00 0.21 0.44 -0.33 0.02 0.00 0.00 177.57 177.91 3jxi h GLU 241 N -0.45 0.74 0.73 1.57 5.08 -1.22 0.37 114.58 121.40 3jxi h GLU 241 Ca -0.01 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3jxi h GLU 241 Cb 0.40 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.49 3jxi h GLU 241 CO 0.01 0.49 -0.35 1.25 -1.00 0.00 0.00 179.01 179.41 3jxi h LEU 242 N 0.76 -0.83 -0.32 1.33 5.85 -1.26 -1.26 115.31 119.58 3jxi h LEU 242 Ca 0.37 0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.17 3jxi h LEU 242 Cb 0.31 0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.48 3jxi h LEU 242 CO -0.23 -0.55 -0.21 -0.07 -0.34 0.00 0.00 178.44 177.04 3jxi h LEU 243 N -1.07 -0.71 -0.43 2.25 3.38 -1.19 -2.33 115.31 115.22 3jxi h LEU 243 Ca -0.10 0.14 0.07 0.00 0.09 0.00 0.00 57.88 58.08 3jxi h LEU 243 Cb 0.77 0.36 -0.06 0.00 0.09 0.00 0.00 40.66 41.82 3jxi h LEU 243 CO 0.17 -0.25 0.08 0.58 0.09 0.00 0.00 178.44 179.10 3jxi h VAL 244 N -0.18 0.76 -0.68 1.22 2.07 -0.89 -0.30 116.25 118.24 3jxi h VAL 244 Ca 0.16 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 3jxi h VAL 244 Cb 0.43 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3jxi h VAL 244 CO -0.42 0.04 0.30 -0.33 0.02 0.00 0.00 177.57 177.18 3jxi h GLU 245 N 0.21 0.99 -0.91 1.57 5.08 -0.97 -3.17 114.58 117.37 3jxi h GLU 245 Ca 0.21 -0.15 -0.48 0.00 -1.00 0.00 0.00 59.36 57.94 3jxi h GLU 245 Cb 0.27 -0.18 -0.28 0.00 0.50 0.00 0.00 28.75 29.06 3jxi h GLU 245 CO -0.28 0.78 0.56 1.63 -1.00 0.00 0.00 179.01 180.70 3jxi n LYS 246 N -4.32 2.23 0.00 2.33 5.02 -0.90 -4.85 118.16 117.67 3jxi n LYS 246 Ca 0.06 -3.06 0.00 0.00 -2.02 0.00 0.00 58.31 53.29 3jxi n LYS 246 Cb 0.15 -2.14 0.00 0.00 -0.02 0.00 0.00 35.03 33.03 3jxi n LYS 246 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jxi n GLY 247 N -1.13 0.96 3.66 0.72 0.00 -1.09 -4.67 105.19 103.64 3jxi n GLY 247 Ca 0.56 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 46.15 3jxi n GLY 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jxi n ALA 248 N -0.44 0.71 -2.66 4.61 0.00 -0.17 -4.80 120.51 117.76 3jxi n ALA 248 Ca 0.00 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.39 3jxi n ALA 248 Cb 0.00 -2.17 -0.05 0.00 0.00 0.00 0.00 19.45 17.23 3jxi n ALA 248 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3jxi s ASP 249 N -0.34 6.32 0.00 0.00 2.15 -1.26 -4.84 116.67 118.70 3jxi s ASP 249 Ca 0.58 -0.48 0.04 0.00 0.43 0.00 0.00 52.55 53.12 3jxi s ASP 249 Cb -0.63 -2.38 0.22 0.00 -0.30 0.00 0.00 42.92 39.83 3jxi s ASP 249 CO 0.60 -1.07 0.72 1.33 -0.17 0.00 0.00 175.17 176.58 3jxi n VAL 250 N 6.01 0.00 -1.75 1.11 0.24 -1.26 -3.01 118.33 119.67 3jxi n VAL 250 Ca -0.01 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.33 3jxi n VAL 250 Cb 0.47 -0.34 0.05 0.00 -1.47 0.00 0.00 33.84 32.55 3jxi n VAL 250 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3jxi n HIS 251 N -0.61 0.00 -2.25 6.34 8.25 -1.26 -4.43 115.22 121.26 3jxi n HIS 251 Ca 0.03 -0.40 -0.42 0.00 -0.26 0.00 0.00 57.72 56.67 3jxi n HIS 251 Cb 0.01 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.00 3jxi n HIS 251 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3jxi s ALA 252 N -0.98 3.52 -0.49 -1.41 0.00 -1.16 -4.93 121.76 116.31 3jxi s ALA 252 Ca 0.14 1.06 -0.10 0.00 0.00 0.00 0.00 51.96 53.06 3jxi s ALA 252 Cb 0.13 -3.48 0.12 0.00 0.00 0.00 0.00 23.12 19.89 3jxi s ALA 252 CO -0.01 -0.52 0.38 -0.65 0.00 0.00 0.00 175.76 174.95 3jxi s GLN 253 N 0.38 2.56 -0.08 0.00 -0.21 -1.26 -4.05 119.66 117.00 3jxi s GLN 253 Ca 0.59 -1.81 -0.30 0.00 0.02 0.00 0.00 55.36 53.86 3jxi s GLN 253 Cb -0.35 -3.97 -0.05 0.00 1.00 0.00 0.00 33.01 29.64 3jxi s GLN 253 CO 0.34 -1.21 1.57 0.00 -2.12 0.00 0.00 175.29 173.87 3jxi s ALA 254 N 1.30 3.63 -0.06 6.09 0.00 -0.98 -4.59 121.76 127.15 3jxi s ALA 254 Ca 0.06 0.84 0.04 0.00 0.00 0.00 0.00 51.96 52.90 3jxi s ALA 254 Cb -0.26 -3.72 -0.02 0.00 0.00 0.00 0.00 23.12 19.12 3jxi s ALA 254 CO -0.01 -1.34 -0.16 1.03 0.00 0.00 0.00 175.76 175.28 3jxi s ARG 255 N 3.89 2.58 1.05 0.00 0.52 0.28 -4.25 118.95 123.03 3jxi s ARG 255 Ca 0.69 -0.74 -0.18 0.00 -0.52 0.00 0.00 55.73 54.99 3jxi s ARG 255 Cb -0.31 -2.36 0.26 0.00 0.52 0.00 0.00 34.95 33.07 3jxi s ARG 255 CO 0.26 0.54 0.86 0.41 0.02 0.00 0.00 175.30 177.39 3jxi n GLY 256 N 2.54 -2.99 2.71 -3.53 0.00 -1.26 0.25 105.19 102.91 3jxi n GLY 256 Ca -0.17 -1.44 -0.07 0.00 0.00 0.00 0.00 46.02 44.33 3jxi n GLY 256 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3jxi n ARG 257 N -4.45 0.83 0.00 1.61 0.63 -1.24 -4.66 116.66 109.38 3jxi n ARG 257 Ca 0.12 -1.62 0.00 0.00 -0.92 0.00 0.00 57.85 55.43 3jxi n ARG 257 Cb 0.48 -0.72 0.00 0.00 0.45 0.00 0.00 32.46 32.68 3jxi n ARG 257 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3jxi n PHE 258 N 0.27 0.00 0.00 -0.14 3.72 -1.26 -5.06 117.46 114.99 3jxi n PHE 258 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3jxi n PHE 258 Cb 0.73 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.27 3jxi n PHE 258 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 3jxi n TYR 267 N 0.00 0.00 -2.27 1.38 0.18 -1.26 -5.25 117.16 109.94 3jxi n TYR 267 Ca 0.00 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.36 3jxi n TYR 267 Cb 0.00 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 38.94 3jxi n TYR 267 CO 0.00 0.00 0.00 0.12 -2.08 0.00 0.00 176.86 174.90 3jxi s PHE 268 N -1.96 2.20 -0.21 -3.48 5.36 -1.26 -4.99 117.98 113.65 3jxi s PHE 268 Ca 0.00 0.62 -0.24 0.00 -0.96 0.00 0.00 56.93 56.36 3jxi s PHE 268 Cb 0.00 -4.28 -0.01 0.00 -0.34 0.00 0.00 43.02 38.38 3jxi s PHE 268 CO 0.00 -2.18 0.77 -0.47 -1.46 0.00 0.00 175.22 171.88 3jxi s TYR 269 N 6.14 3.36 -0.08 10.12 6.14 -1.26 -4.94 117.35 136.84 3jxi s TYR 269 Ca 0.63 1.11 0.12 0.00 0.64 0.00 0.00 57.07 59.56 3jxi s TYR 269 Cb -0.14 -2.96 0.21 0.00 0.42 0.00 0.00 41.96 39.49 3jxi s TYR 269 CO 0.30 -0.28 1.11 1.97 0.64 0.00 0.00 175.55 179.28 3jxi n PHE 270 N 5.46 0.00 -0.91 4.97 1.16 -1.26 -4.64 117.46 122.24 3jxi n PHE 270 Ca 0.03 -0.64 0.00 0.00 -1.87 0.00 0.00 57.45 54.97 3jxi n PHE 270 Cb 0.49 -0.12 0.00 0.00 -1.61 0.00 0.00 39.48 38.23 3jxi n PHE 270 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3jxi n GLY 271 N -0.66 0.51 5.00 4.97 0.00 -1.26 -3.16 105.19 110.59 3jxi n GLY 271 Ca 0.09 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3jxi n GLY 271 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3jxi n GLU 272 N -2.91 0.00 -1.58 1.61 1.02 -1.26 -4.60 120.64 112.93 3jxi n GLU 272 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.83 3jxi n GLU 272 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.47 3jxi n GLU 272 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3jxi s LEU 273 N 0.00 3.16 0.26 -4.62 1.43 -1.26 -2.31 118.68 115.34 3jxi s LEU 273 Ca 0.00 1.69 0.06 0.00 -1.03 0.00 0.00 54.13 54.85 3jxi s LEU 273 Cb 0.00 -4.51 0.32 0.00 0.03 0.00 0.00 46.19 42.03 3jxi s LEU 273 CO 0.00 -1.52 1.60 -0.65 0.23 0.00 0.00 176.35 176.01 3jxi h PRO 274 N -0.63 0.20 -0.08 1.29 0.11 -1.78 -1.08 132.00 130.02 3jxi h PRO 274 Ca -0.44 -0.13 -0.06 0.00 0.11 0.00 0.00 66.00 65.49 3jxi h PRO 274 Cb 1.22 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3jxi h PRO 274 CO 0.56 0.71 -0.20 1.25 -0.21 0.00 0.00 178.00 180.10 3jxi h LEU 275 N 0.15 0.13 -0.01 2.35 5.85 -1.94 -0.59 115.31 121.26 3jxi h LEU 275 Ca -0.00 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3jxi h LEU 275 Cb 1.03 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3jxi h LEU 275 CO 0.08 0.34 -0.07 0.28 -0.34 0.00 0.00 178.44 178.73 3jxi h SER 276 N 0.13 0.08 -0.81 1.25 0.02 -1.72 -2.77 113.55 109.73 3jxi h SER 276 Ca 0.02 -0.72 0.19 0.00 -0.84 0.00 0.00 61.79 60.44 3jxi h SER 276 Cb 0.44 -0.02 -0.12 0.00 0.14 0.00 0.00 62.40 62.83 3jxi h SER 276 CO 0.03 0.79 0.23 0.25 -1.14 0.00 0.00 176.83 176.98 3jxi h LEU 277 N -0.63 0.05 -0.33 5.07 5.85 -1.14 0.20 115.31 124.39 3jxi h LEU 277 Ca -0.01 0.16 -0.16 0.00 0.84 0.00 0.00 57.88 58.72 3jxi h LEU 277 Cb 0.79 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 3jxi h LEU 277 CO 0.02 -0.07 -0.42 0.00 -0.34 0.00 0.00 178.44 177.63 3jxi h ALA 278 N 1.68 0.49 -0.16 1.25 0.00 -1.14 -1.52 119.26 119.87 3jxi h ALA 278 Ca 0.48 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3jxi h ALA 278 Cb 0.89 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3jxi h ALA 278 CO -0.56 0.62 -0.41 0.00 0.00 0.00 0.00 179.25 178.90 3jxi h ALA 279 N 0.72 0.26 0.00 0.00 0.00 -1.17 -0.55 119.26 118.53 3jxi h ALA 279 Ca 0.04 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 3jxi h ALA 279 Cb 1.01 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3jxi h ALA 279 CO 0.10 0.37 -0.02 0.00 0.00 0.00 0.00 179.25 179.70 3jxi n THR 281 N -3.17 1.77 -3.57 0.00 -2.24 -0.57 -4.99 114.28 101.50 3jxi n THR 281 Ca -0.01 -1.25 -0.23 0.00 -2.27 0.00 0.00 64.05 60.28 3jxi n THR 281 Cb 0.19 0.14 0.05 0.00 -2.10 0.00 0.00 70.33 68.61 3jxi n THR 281 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3jxi n ASN 282 N 0.86 -3.89 -3.72 3.42 4.05 -0.85 -4.98 115.26 110.15 3jxi n ASN 282 Ca 0.23 -0.85 -0.28 0.00 0.45 0.00 0.00 54.58 54.14 3jxi n ASN 282 Cb 0.82 -4.17 -0.11 0.00 1.23 0.00 0.00 39.78 37.56 3jxi n ASN 282 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3jxi n GLN 283 N -3.98 1.88 0.25 1.20 6.02 -0.23 -4.96 117.38 117.57 3jxi n GLN 283 Ca -0.18 -4.42 0.10 0.00 -0.01 0.00 0.00 57.00 52.49 3jxi n GLN 283 Cb 0.64 -2.21 0.67 0.00 1.02 0.00 0.00 30.24 30.35 3jxi n GLN 283 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3jxi h PRO 284 N 5.04 0.00 -0.08 -1.09 0.13 -1.94 -1.04 132.00 133.02 3jxi h PRO 284 Ca 0.17 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.12 3jxi h PRO 284 Cb 0.74 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 3jxi h PRO 284 CO 0.72 0.10 -0.72 0.45 -0.23 0.00 0.00 178.00 178.32 3jxi h HIS 285 N 0.00 0.55 -0.05 1.56 3.86 -1.96 -0.76 115.15 118.35 3jxi h HIS 285 Ca -0.00 -0.24 -0.21 0.00 -1.16 0.00 0.00 60.37 58.76 3jxi h HIS 285 Cb 0.21 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.59 3jxi h HIS 285 CO 0.00 1.00 -0.82 0.82 0.86 0.00 0.00 177.93 179.78 3jxi h ILE 286 N 0.28 1.37 -0.76 2.45 2.04 -1.81 -0.42 117.51 120.66 3jxi h ILE 286 Ca -0.03 -2.24 0.01 0.00 1.00 0.00 0.00 64.86 63.60 3jxi h ILE 286 Cb 1.30 2.22 -0.04 0.00 -0.74 0.00 0.00 36.82 39.56 3jxi h ILE 286 CO 0.12 0.68 0.50 0.58 0.00 0.00 0.00 178.15 180.03 3jxi h VAL 287 N 0.29 1.17 -0.20 1.67 2.07 -1.14 -0.98 116.25 119.13 3jxi h VAL 287 Ca -0.05 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 3jxi h VAL 287 Cb 1.43 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3jxi h VAL 287 CO 0.15 0.18 -0.02 0.45 0.02 0.00 0.00 177.57 178.35 3jxi h HIS 288 N 1.01 0.42 -0.40 1.57 3.86 -1.01 -3.01 115.15 117.58 3jxi h HIS 288 Ca 0.29 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.41 3jxi h HIS 288 Cb -0.09 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.26 3jxi h HIS 288 CO -0.02 0.60 0.24 -0.92 0.86 0.00 0.00 177.93 178.68 3jxi h TYR 289 N 0.12 0.54 0.00 2.45 3.20 -0.94 0.28 116.97 122.62 3jxi h TYR 289 Ca 0.06 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 3jxi h TYR 289 Cb 0.44 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 3jxi h TYR 289 CO 0.04 0.40 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.84 3jxi h LEU 290 N 0.53 0.00 0.00 2.82 3.38 -1.19 -1.33 115.31 119.52 3jxi h LEU 290 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3jxi h LEU 290 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3jxi h LEU 290 CO -0.03 0.05 -1.49 0.35 0.09 0.00 0.00 178.44 177.42 3jxi n THR 291 N -3.37 0.00 0.10 0.22 -2.24 -1.08 0.75 114.28 108.66 3jxi n THR 291 Ca -0.02 -0.29 0.03 0.00 -2.27 0.00 0.00 64.05 61.50 3jxi n THR 291 Cb 0.19 0.29 0.06 0.00 -2.10 0.00 0.00 70.33 68.78 3jxi n THR 291 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3jxi n GLU 292 N -1.88 1.33 -2.12 -0.78 1.02 0.98 -4.84 120.64 114.36 3jxi n GLU 292 Ca -0.02 -1.34 -0.32 0.00 -0.02 0.00 0.00 57.16 55.46 3jxi n GLU 292 Cb 0.33 -1.15 -0.00 0.00 -0.02 0.00 0.00 31.44 30.60 3jxi n GLU 292 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3jxi s ASN 293 N -0.77 6.05 0.00 1.62 2.20 -0.51 -4.97 114.94 118.56 3jxi s ASN 293 Ca 0.11 1.70 0.27 0.00 -0.94 0.00 0.00 52.86 54.00 3jxi s ASN 293 Cb 0.07 -2.52 0.80 0.00 -2.00 0.00 0.00 41.25 37.60 3jxi s ASN 293 CO 0.09 -0.98 1.59 0.61 -2.94 0.00 0.00 177.10 175.47 3jxi n GLY 294 N -1.34 -0.38 0.07 0.45 0.00 -1.26 -4.46 105.19 98.27 3jxi n GLY 294 Ca 0.08 -0.43 -0.05 0.00 0.00 0.00 0.00 46.02 45.61 3jxi n GLY 294 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3jxi n HIS 295 N -0.36 0.80 -3.65 1.61 8.25 -1.26 -5.01 115.22 115.60 3jxi n HIS 295 Ca 0.14 0.35 -0.04 0.00 -0.26 0.00 0.00 57.72 57.90 3jxi n HIS 295 Cb 0.36 -0.74 -0.06 0.00 1.12 0.00 0.00 29.99 30.67 3jxi n HIS 295 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3jxi s LYS 296 N -2.34 0.51 0.05 -0.41 2.20 -1.26 -5.10 119.74 113.39 3jxi s LYS 296 Ca -0.17 1.27 0.02 0.00 -0.36 0.00 0.00 55.97 56.73 3jxi s LYS 296 Cb 0.02 0.57 -0.04 0.00 -1.51 0.00 0.00 37.83 36.88 3jxi s LYS 296 CO 0.25 -0.20 0.06 -0.65 -0.36 0.00 0.00 175.35 174.45 3jxi s GLN 297 N 2.56 2.86 -0.07 4.03 -0.21 -1.26 -4.85 119.66 122.71 3jxi s GLN 297 Ca -0.06 -0.66 -0.24 0.00 0.02 0.00 0.00 55.36 54.42 3jxi s GLN 297 Cb -0.11 -2.72 -0.03 0.00 1.00 0.00 0.00 33.01 31.15 3jxi s GLN 297 CO -0.17 0.59 0.74 0.00 -2.12 0.00 0.00 175.29 174.32 3jxi s ALA 298 N -1.30 3.34 0.02 6.09 0.00 0.23 -4.94 121.76 125.20 3jxi s ALA 298 Ca 0.26 0.15 -0.30 0.00 0.00 0.00 0.00 51.96 52.07 3jxi s ALA 298 Cb -0.12 -3.02 -0.07 0.00 0.00 0.00 0.00 23.12 19.91 3jxi s ALA 298 CO 0.19 -0.18 1.60 0.34 0.00 0.00 0.00 175.76 177.70 3jxi s ASP 299 N 0.86 6.67 0.48 0.00 3.68 -1.26 -4.61 116.67 122.50 3jxi s ASP 299 Ca 0.39 2.34 0.23 0.00 2.13 0.00 0.00 52.55 57.63 3jxi s ASP 299 Cb -0.18 -2.55 1.24 0.00 -1.45 0.00 0.00 42.92 39.98 3jxi s ASP 299 CO 0.18 -0.86 2.01 -0.07 0.13 0.00 0.00 175.17 176.56 3jxi h LEU 300 N 9.00 0.00 -0.21 -1.34 4.07 -1.97 -2.89 115.31 121.98 3jxi h LEU 300 Ca -0.41 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.55 3jxi h LEU 300 Cb 1.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.93 3jxi h LEU 300 CO 0.93 0.17 0.00 0.54 -1.08 0.00 0.00 178.44 179.00 3jxi n ARG 301 N -3.83 0.19 -1.87 1.13 1.74 -1.26 -4.37 116.66 108.39 3jxi n ARG 301 Ca -0.02 0.25 -0.40 0.00 -0.77 0.00 0.00 57.85 56.92 3jxi n ARG 301 Cb 0.27 -1.77 0.01 0.00 -1.02 0.00 0.00 32.46 29.95 3jxi n ARG 301 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3jxi s ARG 302 N -3.15 3.76 0.07 5.56 1.81 -1.09 -4.91 118.95 121.00 3jxi s ARG 302 Ca 0.09 2.34 0.08 0.00 -1.72 0.00 0.00 55.73 56.52 3jxi s ARG 302 Cb 0.12 -2.68 -0.03 0.00 -0.45 0.00 0.00 34.95 31.91 3jxi s ARG 302 CO 0.51 -0.73 -0.20 -0.65 -0.68 0.00 0.00 175.30 173.54 3jxi s GLN 303 N -2.40 1.86 0.00 3.54 -0.21 -1.26 -4.25 119.66 116.94 3jxi s GLN 303 Ca 0.60 -1.10 0.00 0.00 0.02 0.00 0.00 55.36 54.88 3jxi s GLN 303 Cb -0.42 -2.10 0.00 0.00 1.00 0.00 0.00 33.01 31.49 3jxi s GLN 303 CO 0.54 0.51 0.00 -0.40 -2.12 0.00 0.00 175.29 173.82 3jxi n ASP 304 N 1.29 0.00 0.00 5.90 5.75 -0.44 -4.80 116.55 124.25 3jxi n ASP 304 Ca -0.16 -0.52 0.11 0.00 -0.01 0.00 0.00 54.79 54.21 3jxi n ASP 304 Cb 0.52 0.00 0.50 0.00 -1.03 0.00 0.00 41.12 41.12 3jxi n ASP 304 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3jxi n SER 305 N -1.55 0.00 -0.99 -1.12 3.41 -1.26 -1.29 113.62 110.82 3jxi n SER 305 Ca 0.00 0.29 0.12 0.00 -0.26 0.00 0.00 58.87 59.02 3jxi n SER 305 Cb 0.00 -0.42 0.12 0.00 -0.26 0.00 0.00 64.21 63.66 3jxi n SER 305 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3jxi n ARG 306 N -1.42 2.32 -1.07 4.33 1.74 -1.26 -4.95 116.66 116.35 3jxi n ARG 306 Ca 0.07 -1.99 -0.03 0.00 -0.77 0.00 0.00 57.85 55.14 3jxi n ARG 306 Cb 0.22 -1.46 -0.01 0.00 -1.02 0.00 0.00 32.46 30.19 3jxi n ARG 306 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jxi n GLY 307 N 1.36 0.58 3.61 -0.13 0.00 -0.41 -1.80 105.19 108.40 3jxi n GLY 307 Ca 0.15 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 3jxi n GLY 307 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jxi s ASN 308 N -2.84 6.54 1.15 1.61 0.01 -1.26 -4.04 114.94 116.12 3jxi s ASN 308 Ca 0.00 0.51 -0.16 0.00 -0.71 0.00 0.00 52.86 52.50 3jxi s ASN 308 Cb 0.00 -2.35 0.26 0.00 0.41 0.00 0.00 41.25 39.58 3jxi s ASN 308 CO 0.00 -0.50 1.07 0.42 -1.51 0.00 0.00 177.10 176.58 3jxi s THR 309 N 2.67 1.77 0.42 1.60 -4.23 -1.26 -1.33 115.64 115.28 3jxi s THR 309 Ca 0.27 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.92 3jxi s THR 309 Cb -0.15 -2.37 0.34 0.00 1.34 0.00 0.00 72.50 71.66 3jxi s THR 309 CO 0.11 0.00 1.93 1.62 -0.54 0.00 0.00 174.62 177.75 3jxi h VAL 310 N -2.46 0.84 -0.30 2.29 3.04 -1.76 -1.69 116.25 116.22 3jxi h VAL 310 Ca -0.52 -0.16 -0.03 0.00 -1.01 0.00 0.00 66.70 64.98 3jxi h VAL 310 Cb 1.32 0.33 -0.01 0.00 -2.01 0.00 0.00 31.29 30.93 3jxi h VAL 310 CO 0.45 0.09 0.05 -0.07 -1.01 0.00 0.00 177.57 177.08 3jxi h LEU 311 N 0.47 0.47 -1.42 3.16 3.38 -1.91 -2.33 115.31 117.12 3jxi h LEU 311 Ca 0.35 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3jxi h LEU 311 Cb 0.71 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3jxi h LEU 311 CO -0.11 0.61 0.34 0.45 0.09 0.00 0.00 178.44 179.81 3jxi h HIS 312 N 0.31 0.70 0.00 1.13 3.86 -1.67 -2.51 115.15 116.97 3jxi h HIS 312 Ca 0.09 0.01 -0.13 0.00 -1.16 0.00 0.00 60.37 59.18 3jxi h HIS 312 Cb 0.34 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 3jxi h HIS 312 CO 0.02 0.46 -0.61 0.00 0.86 0.00 0.00 177.93 178.66 3jxi h ALA 313 N 1.63 0.99 -0.00 2.45 0.00 -1.20 -1.59 119.26 121.54 3jxi h ALA 313 Ca 0.20 -0.55 -0.19 0.00 0.00 0.00 0.00 54.91 54.36 3jxi h ALA 313 Cb -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3jxi h ALA 313 CO -0.04 0.76 -0.86 -0.07 0.00 0.00 0.00 179.25 179.04 3jxi h LEU 314 N 0.00 0.27 -0.63 0.00 3.38 -1.12 -1.84 115.31 115.35 3jxi h LEU 314 Ca -0.01 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 3jxi h LEU 314 Cb 1.08 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3jxi h LEU 314 CO 0.08 1.00 -0.20 0.58 0.09 0.00 0.00 178.44 179.99 3jxi h VAL 315 N 0.12 1.27 0.10 1.22 2.07 -1.33 -1.39 116.25 118.31 3jxi h VAL 315 Ca -0.04 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.15 3jxi h VAL 315 Cb 1.48 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 3jxi h VAL 315 CO 0.13 0.45 -0.08 0.00 0.02 0.00 0.00 177.57 178.09 3jxi h ALA 316 N 1.01 -0.17 0.00 1.67 0.00 -1.08 -2.95 119.26 117.75 3jxi h ALA 316 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3jxi h ALA 316 Cb 0.73 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3jxi h ALA 316 CO 0.06 -0.61 0.00 0.44 0.00 0.00 0.00 179.25 179.14 3jxi n ILE 317 N -5.20 0.16 -1.76 0.00 -6.64 -0.71 -4.70 119.36 100.51 3jxi n ILE 317 Ca -0.07 0.04 -0.40 0.00 -1.77 0.00 0.00 62.75 60.54 3jxi n ILE 317 Cb 0.12 -0.58 -0.03 0.00 -1.44 0.00 0.00 39.64 37.71 3jxi n ILE 317 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3jxi s ALA 318 N -2.98 2.36 0.61 -1.28 0.00 -0.53 -4.96 121.76 114.99 3jxi s ALA 318 Ca 0.14 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.32 3jxi s ALA 318 Cb 0.18 -4.17 0.07 0.00 0.00 0.00 0.00 23.12 19.19 3jxi s ALA 318 CO 0.48 -3.40 0.85 0.16 0.00 0.00 0.00 175.76 173.86 3jxi s ASP 319 N 8.84 4.95 -0.40 0.00 1.47 -1.26 -4.90 116.67 125.36 3jxi s ASP 319 Ca 0.89 -0.15 0.06 0.00 1.18 0.00 0.00 52.55 54.53 3jxi s ASP 319 Cb -0.23 -0.55 0.62 0.00 -0.34 0.00 0.00 42.92 42.43 3jxi s ASP 319 CO 0.30 -1.40 1.78 0.59 0.68 0.00 0.00 175.17 177.12 3jxi n ASN 320 N -2.51 3.40 -4.88 2.11 5.03 -1.26 -4.50 115.26 112.66 3jxi n ASN 320 Ca 0.11 -3.65 -0.30 0.00 0.87 0.00 0.00 54.58 51.61 3jxi n ASN 320 Cb 0.60 -0.78 -0.01 0.00 -1.02 0.00 0.00 39.78 38.57 3jxi n ASN 320 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 3jxi s THR 321 N -3.27 4.76 0.07 3.41 -4.23 -1.26 -4.88 115.64 110.23 3jxi s THR 321 Ca 0.53 0.67 -0.36 0.00 -1.18 0.00 0.00 61.69 61.35 3jxi s THR 321 Cb 0.46 -3.80 -0.19 0.00 1.34 0.00 0.00 72.50 70.30 3jxi s THR 321 CO 0.08 -0.81 1.58 0.03 -0.54 0.00 0.00 174.62 174.95 3jxi h ARG 322 N 0.49 -1.13 0.00 3.99 2.47 -1.99 -1.05 114.38 117.16 3jxi h ARG 322 Ca -0.46 0.08 -0.02 0.00 -1.26 0.00 0.00 59.98 58.31 3jxi h ARG 322 Cb 1.19 0.26 -0.00 0.00 -1.65 0.00 0.00 29.97 29.77 3jxi h ARG 322 CO 0.62 -0.75 -0.10 1.49 0.56 0.00 0.00 179.97 181.79 3jxi h GLU 323 N -1.17 0.00 0.02 0.04 4.57 -1.98 -0.07 114.58 115.99 3jxi h GLU 323 Ca -0.10 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 3jxi h GLU 323 Cb 0.94 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.53 3jxi h GLU 323 CO 0.11 0.10 -0.01 -0.97 -1.18 0.00 0.00 179.01 177.06 3jxi h ASN 324 N 0.00 -0.02 0.32 1.04 -0.73 -1.88 -2.66 115.58 111.65 3jxi h ASN 324 Ca -0.00 -0.70 -0.06 0.00 1.87 0.00 0.00 56.30 57.41 3jxi h ASN 324 Cb 0.22 0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.81 3jxi h ASN 324 CO 0.01 0.72 -0.29 0.00 -0.37 0.00 0.00 177.43 177.49 3jxi h THR 325 N -0.79 1.17 -0.51 -3.57 1.03 -0.78 0.77 112.91 110.24 3jxi h THR 325 Ca -0.00 -1.02 -0.10 0.00 -0.01 0.00 0.00 66.41 65.27 3jxi h THR 325 Cb 0.72 1.56 -0.02 0.00 -1.07 0.00 0.00 68.15 69.34 3jxi h THR 325 CO 0.00 0.29 -0.07 0.50 -0.01 0.00 0.00 175.52 176.23 3jxi h LYS 326 N 0.00 0.95 0.04 0.00 3.64 -1.09 0.14 116.57 120.25 3jxi h LYS 326 Ca -0.00 -0.34 -0.26 0.00 -1.27 0.00 0.00 60.65 58.78 3jxi h LYS 326 Cb 0.53 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 3jxi h LYS 326 CO 0.04 1.01 -1.31 0.27 -2.27 0.00 0.00 179.45 177.18 3jxi h PHE 327 N 0.81 0.14 -0.67 1.91 -0.00 -1.09 -2.47 116.94 115.57 3jxi h PHE 327 Ca 0.14 -0.10 -0.05 0.00 -0.00 0.00 0.00 57.97 57.95 3jxi h PHE 327 Cb 0.62 -0.01 -0.03 0.00 -0.00 0.00 0.00 35.95 36.54 3jxi h PHE 327 CO 0.05 1.11 0.21 0.28 -0.00 0.00 0.00 178.31 179.95 3jxi h VAL 328 N 0.02 1.25 0.30 0.88 2.07 -0.85 -0.56 116.25 119.35 3jxi h VAL 328 Ca -0.14 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 3jxi h VAL 328 Cb 1.90 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 3jxi h VAL 328 CO 0.13 0.33 -0.14 0.74 0.02 0.00 0.00 177.57 178.65 3jxi h THR 329 N 0.99 0.73 -0.04 2.57 2.02 -0.77 -1.26 112.91 117.15 3jxi h THR 329 Ca 0.22 -0.42 -0.08 0.00 0.77 0.00 0.00 66.41 66.91 3jxi h THR 329 Cb 0.28 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3jxi h THR 329 CO -0.01 0.09 -0.34 0.50 0.37 0.00 0.00 175.52 176.13 3jxi h LYS 330 N -0.63 0.07 -0.02 6.66 3.64 -1.41 -1.92 116.57 122.97 3jxi h LYS 330 Ca -0.04 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.19 3jxi h LYS 330 Cb 0.45 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3jxi h LYS 330 CO 0.07 0.41 -0.47 1.98 -2.27 0.00 0.00 179.45 179.16 3jxi h MET 331 N 0.06 0.35 -0.22 1.90 4.05 -1.09 -2.50 114.93 117.47 3jxi h MET 331 Ca 0.01 -0.35 0.06 0.00 -0.28 0.00 0.00 59.70 59.13 3jxi h MET 331 Cb 0.64 0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 31.47 3jxi h MET 331 CO 0.05 1.03 -0.21 -0.92 0.23 0.00 0.00 176.91 177.09 3jxi h TYR 332 N -0.20 -0.55 0.00 1.39 5.03 -1.04 -2.26 116.97 119.34 3jxi h TYR 332 Ca -0.05 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.22 3jxi h TYR 332 Cb 1.18 0.28 -0.01 0.00 1.55 0.00 0.00 36.73 39.73 3jxi h TYR 332 CO 0.15 -0.29 -0.33 -0.44 -1.32 0.00 0.00 178.16 175.93 3jxi h ASP 333 N -0.22 0.00 0.14 -2.11 3.32 -1.42 -2.03 116.42 114.10 3jxi h ASP 333 Ca 0.13 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3jxi h ASP 333 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3jxi h ASP 333 CO -0.35 0.33 -0.07 0.25 -1.72 0.00 0.00 179.24 177.68 3jxi h LEU 334 N 0.00 -0.16 -1.28 1.55 5.85 -1.12 -2.19 115.31 117.97 3jxi h LEU 334 Ca -0.00 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 3jxi h LEU 334 Cb 0.64 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 3jxi h LEU 334 CO 0.04 0.01 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.01 3jxi h LEU 335 N -0.33 0.00 0.08 2.25 3.38 -1.11 -1.85 115.31 117.72 3jxi h LEU 335 Ca -0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 3jxi h LEU 335 Cb 0.26 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.02 3jxi h LEU 335 CO 0.03 0.07 -0.59 -0.07 0.09 0.00 0.00 178.44 177.97 3jxi h LEU 336 N 0.00 0.25 -1.41 1.67 3.38 -1.36 -2.85 115.31 114.99 3jxi h LEU 336 Ca -0.00 -0.93 0.04 0.00 0.09 0.00 0.00 57.88 57.08 3jxi h LEU 336 Cb 0.61 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 3jxi h LEU 336 CO 0.01 1.27 0.44 0.40 0.09 0.00 0.00 178.44 180.65 3jxi h ILE 337 N -0.65 1.07 -0.46 1.22 2.04 -1.25 -1.29 117.51 118.19 3jxi h ILE 337 Ca -0.12 -0.26 -0.10 0.00 1.00 0.00 0.00 64.86 65.38 3jxi h ILE 337 Cb 1.39 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3jxi h ILE 337 CO 0.06 0.14 -0.12 0.11 0.00 0.00 0.00 178.15 178.34 3jxi h LYS 338 N 0.75 0.89 0.00 2.37 1.79 -1.44 -2.64 116.57 118.29 3jxi h LYS 338 Ca 0.27 -0.35 -0.06 0.00 -2.18 0.00 0.00 60.65 58.33 3jxi h LYS 338 Cb 0.14 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 3jxi h LYS 338 CO -0.08 0.99 -0.31 0.00 -1.08 0.00 0.00 179.45 178.98 3jxi h ALA 340 N 1.69 0.66 0.08 0.00 0.00 -1.13 -1.91 119.26 118.65 3jxi h ALA 340 Ca -0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3jxi h ALA 340 Cb 0.74 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3jxi h ALA 340 CO 0.04 0.67 -0.04 0.87 0.00 0.00 0.00 179.25 180.79 3jxi h LYS 341 N 0.84 -0.11 0.03 0.00 1.57 -1.12 -3.34 116.57 114.44 3jxi h LYS 341 Ca 0.10 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3jxi h LYS 341 Cb 0.84 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.17 3jxi h LYS 341 CO 0.07 0.43 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.31 3jxi h LEU 342 N -0.80 -0.03 -6.30 2.94 3.38 -0.65 -3.40 115.31 110.44 3jxi h LEU 342 Ca -0.01 -0.65 -0.59 0.00 0.09 0.00 0.00 57.88 56.72 3jxi h LEU 342 Cb 0.59 0.01 -0.40 0.00 0.09 0.00 0.00 40.66 40.95 3jxi h LEU 342 CO 0.02 0.66 -0.82 0.49 0.09 0.00 0.00 178.44 178.87 3jxi n PHE 343 N -4.77 1.52 0.48 1.13 3.72 -0.72 -4.97 117.46 113.84 3jxi n PHE 343 Ca -0.09 -3.85 0.11 0.00 -0.05 0.00 0.00 57.45 53.58 3jxi n PHE 343 Cb 0.33 -0.37 0.46 0.00 -0.94 0.00 0.00 39.48 38.96 3jxi n PHE 343 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3jxi n PRO 344 N 1.53 0.17 0.22 -1.08 -0.04 -1.22 -2.23 135.00 132.35 3jxi n PRO 344 Ca 0.25 0.34 0.14 0.00 -0.04 0.00 0.00 63.50 64.20 3jxi n PRO 344 Cb 0.45 -1.79 0.39 0.00 -0.04 0.00 0.00 33.50 32.51 3jxi n PRO 344 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3jxi h ASP 345 N 0.00 0.00 -3.48 3.54 3.32 -1.92 -3.46 116.42 114.43 3jxi h ASP 345 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 3jxi h ASP 345 Cb 0.42 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.81 3jxi h ASP 345 CO 0.00 0.00 -0.67 0.28 -1.72 0.00 0.00 179.24 177.13 3jxi s THR 346 N -3.35 3.95 -0.42 0.35 -1.32 -0.94 -5.09 115.64 108.80 3jxi s THR 346 Ca 0.05 -0.60 -0.07 0.00 -1.21 0.00 0.00 61.69 59.87 3jxi s THR 346 Cb 0.08 -2.71 0.10 0.00 -1.51 0.00 0.00 72.50 68.45 3jxi s THR 346 CO 0.60 0.44 0.25 0.21 -2.21 0.00 0.00 174.62 173.91 3jxi s ASN 347 N -1.33 5.51 0.54 8.08 3.04 -1.26 -4.89 114.94 124.64 3jxi s ASN 347 Ca 0.17 -1.75 0.21 0.00 0.04 0.00 0.00 52.86 51.53 3jxi s ASN 347 Cb -0.11 -1.93 1.47 0.00 -1.54 0.00 0.00 41.25 39.13 3jxi s ASN 347 CO 0.07 -0.57 2.19 0.25 -3.04 0.00 0.00 177.10 176.00 3jxi h LEU 348 N 8.30 0.00 -0.47 3.21 6.46 -1.94 0.14 115.31 131.01 3jxi h LEU 348 Ca -0.20 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.52 3jxi h LEU 348 Cb 1.07 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.99 3jxi h LEU 348 CO 0.76 0.00 -0.20 -0.33 -0.62 0.00 0.00 178.44 178.05 3jxi h GLU 349 N 0.00 0.00 0.00 1.25 5.08 -2.01 -3.19 114.58 115.71 3jxi h GLU 349 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3jxi h GLU 349 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3jxi h GLU 349 CO -0.00 0.20 0.00 0.00 -1.00 0.00 0.00 179.01 178.21 3jxi h ALA 350 N 1.80 1.00 -2.21 3.43 0.00 -1.14 -3.41 119.26 118.73 3jxi h ALA 350 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 3jxi h ALA 350 Cb 0.99 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3jxi h ALA 350 CO 0.03 0.00 0.95 -0.51 0.00 0.00 0.00 179.25 179.72 3jxi s LEU 351 N -5.40 4.24 0.31 0.00 1.43 -1.04 -5.02 118.68 113.21 3jxi s LEU 351 Ca 0.08 1.91 -0.02 0.00 -1.03 0.00 0.00 54.13 55.08 3jxi s LEU 351 Cb 0.09 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 3jxi s LEU 351 CO 0.63 -0.81 0.55 -0.76 0.23 0.00 0.00 176.35 176.19 3jxi s LEU 352 N 3.54 4.03 0.00 1.79 1.43 -1.26 -4.70 118.68 123.51 3jxi s LEU 352 Ca 0.62 0.58 -0.00 0.00 -1.03 0.00 0.00 54.13 54.30 3jxi s LEU 352 Cb -0.26 -3.42 0.01 0.00 0.03 0.00 0.00 46.19 42.55 3jxi s LEU 352 CO 0.21 -0.24 0.08 -0.46 0.23 0.00 0.00 176.35 176.17 3jxi n ASN 353 N -1.33 0.11 0.07 2.29 6.94 -0.37 -4.91 115.26 118.05 3jxi n ASN 353 Ca -0.03 -1.09 0.02 0.00 -0.02 0.00 0.00 54.58 53.46 3jxi n ASN 353 Cb 0.55 -0.05 0.37 0.00 -2.36 0.00 0.00 39.78 38.29 3jxi n ASN 353 CO 0.00 0.00 0.00 0.78 -1.03 0.00 0.00 177.26 177.01 3jxi h ASN 354 N -0.05 0.34 0.00 0.53 -0.26 -1.57 -1.02 115.58 113.56 3jxi h ASN 354 Ca -0.03 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.66 3jxi h ASN 354 Cb 0.10 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.27 3jxi h ASN 354 CO 0.03 0.43 0.00 0.47 -1.06 0.00 0.00 177.43 177.30 3jxi n ASP 355 N -4.31 0.00 -1.03 5.81 9.92 -1.26 -4.88 116.55 120.80 3jxi n ASP 355 Ca 0.00 -1.76 -0.13 0.00 -0.53 0.00 0.00 54.79 52.37 3jxi n ASP 355 Cb 0.23 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.65 3jxi n ASP 355 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3jxi n GLY 356 N 0.44 1.36 3.87 0.44 0.00 -0.38 -4.99 105.19 105.92 3jxi n GLY 356 Ca 0.01 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 3jxi n GLY 356 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jxi s LEU 357 N -3.06 4.35 0.48 0.99 1.43 -1.26 -4.77 118.68 116.85 3jxi s LEU 357 Ca 0.00 0.80 -0.01 0.00 -1.03 0.00 0.00 54.13 53.89 3jxi s LEU 357 Cb 0.00 -2.98 -0.00 0.00 0.03 0.00 0.00 46.19 43.24 3jxi s LEU 357 CO 0.00 0.17 0.73 -0.94 0.23 0.00 0.00 176.35 176.54 3jxi s SER 358 N -1.75 5.77 0.23 2.29 1.04 -1.26 -1.24 113.70 118.78 3jxi s SER 358 Ca 0.33 0.38 -0.08 0.00 0.48 0.00 0.00 55.95 57.06 3jxi s SER 358 Cb -0.14 -1.56 0.39 0.00 0.10 0.00 0.00 66.02 64.81 3jxi s SER 358 CO 0.18 -0.79 1.66 -0.65 0.98 0.00 0.00 173.24 174.62 3jxi h PRO 359 N 0.26 0.15 -0.31 4.02 0.11 -1.84 -0.17 132.00 134.23 3jxi h PRO 359 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3jxi h PRO 359 Cb 1.25 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3jxi h PRO 359 CO 0.58 0.10 0.20 1.25 -0.21 0.00 0.00 178.00 179.92 3jxi h LEU 360 N 0.16 0.35 -1.09 2.35 5.85 -1.95 0.44 115.31 121.43 3jxi h LEU 360 Ca 0.38 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 59.02 3jxi h LEU 360 Cb 0.64 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3jxi h LEU 360 CO -0.56 0.25 -0.33 -0.03 -0.34 0.00 0.00 178.44 177.44 3jxi h MET 361 N 0.42 0.00 -0.06 1.25 4.05 -1.74 -0.80 114.93 118.04 3jxi h MET 361 Ca 0.11 0.00 -0.23 0.00 -0.28 0.00 0.00 59.70 59.30 3jxi h MET 361 Cb -0.04 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 30.77 3jxi h MET 361 CO -0.03 0.33 -0.89 1.98 0.23 0.00 0.00 176.91 178.52 3jxi h MET 362 N 0.00 0.62 -0.52 0.39 1.85 -0.77 -1.95 114.93 114.56 3jxi h MET 362 Ca -0.00 -0.59 0.01 0.00 -0.61 0.00 0.00 59.70 58.51 3jxi h MET 362 Cb 0.80 0.15 -0.03 0.00 0.43 0.00 0.00 31.60 32.95 3jxi h MET 362 CO 0.04 1.20 0.33 0.00 -0.40 0.00 0.00 176.91 178.09 3jxi h ALA 363 N 0.60 0.66 -0.42 0.39 0.00 -0.28 -1.51 119.26 118.70 3jxi h ALA 363 Ca -0.08 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3jxi h ALA 363 Cb 1.53 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3jxi h ALA 363 CO 0.17 0.06 -0.01 0.00 0.00 0.00 0.00 179.25 179.47 3jxi h ALA 364 N 1.21 0.57 -0.60 0.00 0.00 -1.21 0.15 119.26 119.37 3jxi h ALA 364 Ca 0.20 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3jxi h ALA 364 Cb -0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3jxi h ALA 364 CO -0.06 0.36 0.24 -0.22 0.00 0.00 0.00 179.25 179.56 3jxi h LYS 365 N 0.58 0.89 -0.54 0.00 3.64 -1.23 -3.11 116.57 116.80 3jxi h LYS 365 Ca 0.12 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3jxi h LYS 365 Cb 0.50 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3jxi h LYS 365 CO 0.02 0.76 0.03 0.25 -2.27 0.00 0.00 179.45 178.24 3jxi n THR 366 N -4.47 2.73 -2.33 1.00 -2.24 -0.58 -4.97 114.28 103.42 3jxi n THR 366 Ca 0.03 -1.52 -0.18 0.00 -2.27 0.00 0.00 64.05 60.12 3jxi n THR 366 Cb 0.16 -0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 68.10 3jxi n THR 366 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jxi n GLY 367 N 0.36 -0.34 3.42 3.38 0.00 -0.76 -4.93 105.19 106.32 3jxi n GLY 367 Ca 0.28 -0.11 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 3jxi n GLY 367 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jxi s LYS 368 N -4.89 3.94 0.09 1.61 -0.14 0.46 -4.85 119.74 115.96 3jxi s LYS 368 Ca 0.00 -2.49 -0.12 0.00 -1.36 0.00 0.00 55.97 52.00 3jxi s LYS 368 Cb 0.00 -4.87 -0.20 0.00 -1.68 0.00 0.00 37.83 31.09 3jxi s LYS 368 CO 0.00 -1.62 1.23 0.82 -0.76 0.00 0.00 175.35 175.02 3jxi h ILE 369 N 4.78 1.30 -0.07 2.17 1.08 -1.92 -1.40 117.51 123.45 3jxi h ILE 369 Ca 0.23 -2.23 0.04 0.00 -0.39 0.00 0.00 64.86 62.50 3jxi h ILE 369 Cb 0.93 2.32 -0.05 0.00 -3.07 0.00 0.00 36.82 36.96 3jxi h ILE 369 CO 1.12 0.69 -0.20 1.23 -0.69 0.00 0.00 178.15 180.30 3jxi h GLY 370 N 0.56 -0.22 1.46 5.37 0.00 -1.91 0.12 103.07 108.45 3jxi h GLY 370 Ca -0.11 0.24 -0.22 0.00 0.00 0.00 0.00 47.33 47.24 3jxi h GLY 370 CO 0.19 -0.18 -0.88 1.19 0.00 0.00 0.00 176.54 176.86 3jxi h ILE 371 N -0.28 1.36 0.22 2.60 6.09 -1.90 -2.40 117.51 123.20 3jxi h ILE 371 Ca 0.08 -2.28 -0.00 0.00 -1.37 0.00 0.00 64.86 61.29 3jxi h ILE 371 Cb 0.40 2.27 -0.01 0.00 0.47 0.00 0.00 36.82 39.95 3jxi h ILE 371 CO -0.24 0.69 -0.18 0.15 -3.07 0.00 0.00 178.15 175.50 3jxi h PHE 372 N 0.31 -0.47 -0.17 2.19 3.57 -1.10 -1.73 116.94 119.53 3jxi h PHE 372 Ca -0.07 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.38 3jxi h PHE 372 Cb 1.50 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 40.41 3jxi h PHE 372 CO 0.07 -0.28 -0.10 1.96 -2.23 0.00 0.00 178.31 177.73 3jxi h GLN 373 N -0.42 0.26 -0.34 1.11 4.20 -0.81 -2.07 115.11 117.04 3jxi h GLN 373 Ca -0.01 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3jxi h GLN 373 Cb 0.37 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3jxi h GLN 373 CO -0.02 0.38 0.18 1.25 -0.67 0.00 0.00 178.83 179.95 3jxi h HIS 374 N 0.25 0.48 -0.47 2.96 2.76 -1.23 -1.97 115.15 117.95 3jxi h HIS 374 Ca 0.05 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.17 3jxi h HIS 374 Cb 0.35 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.14 3jxi h HIS 374 CO 0.01 0.40 0.16 0.82 -1.30 0.00 0.00 177.93 178.02 3jxi h ILE 375 N 0.43 1.22 -0.06 6.26 2.04 -0.65 -1.09 117.51 125.66 3jxi h ILE 375 Ca 0.12 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.27 3jxi h ILE 375 Cb 0.09 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3jxi h ILE 375 CO -0.02 0.26 0.01 0.40 0.00 0.00 0.00 178.15 178.80 3jxi h ILE 376 N 0.62 0.97 -0.97 -0.67 1.08 -1.42 -0.41 117.51 116.70 3jxi h ILE 376 Ca 0.15 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.61 3jxi h ILE 376 Cb 0.24 0.93 -0.05 0.00 -3.07 0.00 0.00 36.82 34.88 3jxi h ILE 376 CO -0.01 0.01 0.61 0.03 -0.69 0.00 0.00 178.15 178.10 3jxi h ARG 377 N 0.03 1.30 -0.83 2.37 3.08 -1.24 -0.20 114.38 118.90 3jxi h ARG 377 Ca 0.03 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 3jxi h ARG 377 Cb 0.03 -0.28 -0.04 0.00 0.08 0.00 0.00 29.97 29.76 3jxi h ARG 377 CO -0.04 0.89 0.41 -0.09 -1.07 0.00 0.00 179.97 180.07 3jxi h ARG 378 N 1.33 1.19 -0.53 0.04 2.43 -1.01 0.19 114.38 118.01 3jxi h ARG 378 Ca 0.35 -0.17 -0.09 0.00 -0.81 0.00 0.00 59.98 59.26 3jxi h ARG 378 Cb -0.10 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.22 3jxi h ARG 378 CO -0.07 0.90 -0.05 1.49 -1.51 0.00 0.00 179.97 180.74 3jxi h GLU 379 N 1.17 0.93 0.05 0.20 4.57 -0.22 -0.26 114.58 121.03 3jxi h GLU 379 Ca 0.29 -0.30 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3jxi h GLU 379 Cb 0.10 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3jxi h GLU 379 CO -0.04 0.95 -0.03 0.82 -1.18 0.00 0.00 179.01 179.54 3jxi h ILE 380 N 0.85 1.28 -0.64 2.32 2.04 -0.93 -2.55 117.51 119.88 3jxi h ILE 380 Ca 0.15 -1.26 0.18 0.00 1.00 0.00 0.00 64.86 64.93 3jxi h ILE 380 Cb 0.57 2.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.70 3jxi h ILE 380 CO 0.03 0.31 0.46 0.00 0.00 0.00 0.00 178.15 178.95 3jxi h ALA 381 N 0.23 2.53 -0.04 1.87 0.00 -0.55 -0.88 119.26 122.42 3jxi h ALA 381 Ca -0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3jxi h ALA 381 Cb 0.56 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3jxi h ALA 381 CO 0.01 -0.71 -0.28 -0.44 0.00 0.00 0.00 179.25 177.83 3jxi h ASP 382 N 0.05 0.32 -0.99 0.00 3.32 -1.05 -1.46 116.42 116.61 3jxi h ASP 382 Ca 0.31 -0.69 0.11 0.00 0.02 0.00 0.00 57.03 56.78 3jxi h ASP 382 Cb 1.15 -0.09 -0.08 0.00 0.22 0.00 0.00 39.33 40.53 3jxi h ASP 382 CO -0.02 0.95 0.62 0.00 -1.72 0.00 0.00 179.24 179.07 3jxi h ALA 383 N 0.37 1.47 -0.12 3.45 0.00 -0.94 -2.78 119.26 120.71 3jxi h ALA 383 Ca -0.02 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 3jxi h ALA 383 Cb 0.96 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3jxi h ALA 383 CO 0.06 0.23 -0.64 0.00 0.00 0.00 0.00 179.25 178.90 3jxi h ALA 384 N 1.52 0.66 -0.68 0.00 0.00 -1.17 -1.58 119.26 118.01 3jxi h ALA 384 Ca 0.48 -0.56 0.08 0.00 0.00 0.00 0.00 54.91 54.91 3jxi h ALA 384 Cb 0.45 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3jxi h ALA 384 CO -0.26 0.72 0.45 0.00 0.00 0.00 0.00 179.25 180.17 3jxi h ALA 385 N 0.97 1.80 0.00 0.00 0.00 -0.99 -2.98 119.26 118.06 3jxi h ALA 385 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3jxi h ALA 385 Cb 1.20 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3jxi h ALA 385 CO 0.11 0.07 -1.06 0.72 0.00 0.00 0.00 179.25 179.10 3jxi n HIS 386 N -4.48 0.62 -3.75 0.00 8.25 -0.99 -4.78 115.22 110.08 3jxi n HIS 386 Ca 0.10 0.18 -0.30 0.00 -0.26 0.00 0.00 57.72 57.45 3jxi n HIS 386 Cb 0.27 -0.73 -0.13 0.00 1.12 0.00 0.00 29.99 30.53 3jxi n HIS 386 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3jxi s HIS 387 N -3.31 2.17 -2.87 4.41 3.76 -0.63 -5.11 115.29 113.71 3jxi s HIS 387 Ca 0.01 -2.54 0.25 0.00 -0.15 0.00 0.00 55.06 52.63 3jxi s HIS 387 Cb 0.12 -2.04 0.42 0.00 1.11 0.00 0.00 32.58 32.19 3jxi s HIS 387 CO 0.80 -0.78 1.39 0.72 -0.85 0.00 0.00 174.74 176.01