#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jxi s LYS 133 N 0.00 4.04 0.08 2.12 2.20 -1.26 -5.06 119.74 121.86 3jxi s LYS 133 Ca 0.00 0.13 -0.16 0.00 -0.36 0.00 0.00 55.97 55.58 3jxi s LYS 133 Cb 0.00 -3.65 -0.06 0.00 -1.51 0.00 0.00 37.83 32.61 3jxi s LYS 133 CO 0.00 -0.29 0.50 0.08 -0.36 0.00 0.00 175.35 175.28 3jxi s VAL 134 N 2.11 4.89 0.04 4.02 1.01 -1.26 -4.80 120.40 126.41 3jxi s VAL 134 Ca 0.17 0.92 0.08 0.00 0.00 0.00 0.00 61.98 63.15 3jxi s VAL 134 Cb -0.16 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 3jxi s VAL 134 CO 0.10 0.44 -0.23 -0.36 0.00 0.00 0.00 175.10 175.04 3jxi s PHE 135 N -1.24 2.04 0.04 5.22 0.08 -1.26 -5.05 117.98 117.81 3jxi s PHE 135 Ca 0.31 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 56.97 3jxi s PHE 135 Cb -0.17 -1.22 -0.00 0.00 -0.57 0.00 0.00 43.02 41.06 3jxi s PHE 135 CO 0.17 0.10 0.04 0.27 -0.10 0.00 0.00 175.22 175.71 3jxi n ASN 136 N 1.85 -0.11 -0.03 1.36 0.23 -1.26 -5.03 115.26 112.25 3jxi n ASN 136 Ca -0.17 -1.28 -0.13 0.00 -0.53 0.00 0.00 54.58 52.47 3jxi n ASN 136 Cb 0.53 0.25 -0.09 0.00 -2.08 0.00 0.00 39.78 38.38 3jxi n ASN 136 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 3jxi h ARG 137 N 0.00 0.16 -0.11 -3.83 2.43 -1.95 -1.68 114.38 109.39 3jxi h ARG 137 Ca -0.03 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 58.96 3jxi h ARG 137 Cb 0.16 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3jxi h ARG 137 CO 0.05 0.68 -0.28 -1.00 -1.51 0.00 0.00 179.97 177.91 3jxi h PRO 138 N -0.35 0.20 0.15 0.20 0.13 -1.98 -0.51 132.00 129.84 3jxi h PRO 138 Ca 0.00 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 3jxi h PRO 138 Cb 0.68 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.79 3jxi h PRO 138 CO 0.02 0.47 -0.07 0.82 -0.23 0.00 0.00 178.00 179.02 3jxi h ILE 139 N 0.18 0.89 -0.32 -3.56 2.04 -1.95 -1.67 117.51 113.12 3jxi h ILE 139 Ca 0.03 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3jxi h ILE 139 Cb 0.60 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3jxi h ILE 139 CO 0.04 0.03 0.21 0.25 0.00 0.00 0.00 178.15 178.69 3jxi h LEU 140 N -0.26 0.37 -1.02 1.44 5.85 -1.14 -2.25 115.31 118.30 3jxi h LEU 140 Ca -0.02 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 3jxi h LEU 140 Cb 0.20 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3jxi h LEU 140 CO 0.03 0.28 -0.39 -0.26 -0.34 0.00 0.00 178.44 177.76 3jxi h PHE 141 N 0.43 0.21 -0.47 1.25 -1.00 -1.10 -1.13 116.94 115.14 3jxi h PHE 141 Ca 0.12 -0.05 -0.09 0.00 2.81 0.00 0.00 57.97 60.76 3jxi h PHE 141 Cb -0.04 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.46 3jxi h PHE 141 CO -0.05 0.55 -0.05 0.22 -1.61 0.00 0.00 178.31 177.37 3jxi h ASP 142 N 0.15 0.86 0.02 2.17 3.58 -1.14 -0.92 116.42 121.14 3jxi h ASP 142 Ca 0.01 -0.33 -0.00 0.00 0.42 0.00 0.00 57.03 57.13 3jxi h ASP 142 Cb 0.77 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.59 3jxi h ASP 142 CO 0.06 0.99 -0.01 0.40 -2.88 0.00 0.00 179.24 177.79 3jxi h ILE 143 N 0.71 1.11 -0.12 2.25 2.04 -1.06 -2.04 117.51 120.40 3jxi h ILE 143 Ca 0.13 -0.41 -0.15 0.00 1.00 0.00 0.00 64.86 65.43 3jxi h ILE 143 Cb 0.58 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 3jxi h ILE 143 CO 0.03 0.11 -0.57 -0.37 0.00 0.00 0.00 178.15 177.35 3jxi h VAL 144 N -0.21 1.35 -0.14 1.67 -1.51 -1.23 -0.95 116.25 115.24 3jxi h VAL 144 Ca -0.00 -1.87 -0.12 0.00 -1.23 0.00 0.00 66.70 63.48 3jxi h VAL 144 Cb 0.20 1.88 -0.01 0.00 -2.13 0.00 0.00 31.29 31.23 3jxi h VAL 144 CO 0.01 0.56 -0.42 0.77 -1.23 0.00 0.00 177.57 177.25 3jxi h SER 145 N 0.28 0.33 1.34 4.19 4.64 -1.17 -1.88 113.55 121.28 3jxi h SER 145 Ca 0.00 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3jxi h SER 145 Cb 1.08 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3jxi h SER 145 CO 0.10 0.72 0.00 0.03 -0.87 0.00 0.00 176.83 176.81 3jxi h ARG 146 N 0.26 0.00 -3.81 4.77 3.08 -1.10 -3.47 114.38 114.11 3jxi h ARG 146 Ca 0.02 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.85 3jxi h ARG 146 Cb 0.86 0.00 0.08 0.00 0.08 0.00 0.00 29.97 30.99 3jxi h ARG 146 CO 0.07 0.00 -0.40 0.41 -1.07 0.00 0.00 179.97 178.98 3jxi n GLY 147 N 0.44 0.08 3.36 0.04 0.00 -0.41 -5.02 105.19 103.69 3jxi n GLY 147 Ca 0.02 -0.15 -0.46 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.30 6.57 0.42 1.61 0.15 -0.93 -4.38 113.70 113.85 3jxi s SER 148 Ca 0.27 -2.24 0.12 0.00 0.70 0.00 0.00 55.95 54.79 3jxi s SER 148 Cb -0.12 -2.26 0.97 0.00 -1.71 0.00 0.00 66.02 62.90 3jxi s SER 148 CO 0.41 -0.80 1.98 1.55 1.20 0.00 0.00 173.24 177.59 3jxi h PRO 149 N 8.36 0.47 -0.10 5.44 0.13 -1.89 -2.37 132.00 142.04 3jxi h PRO 149 Ca -0.00 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 3jxi h PRO 149 Cb 1.05 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 3jxi h PRO 149 CO 0.92 0.31 -0.03 -0.44 -0.23 0.00 0.00 178.00 178.53 3jxi h ASP 150 N 0.48 0.12 0.86 1.44 3.32 -1.95 -2.46 116.42 118.22 3jxi h ASP 150 Ca 0.27 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3jxi h ASP 150 Cb 0.45 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3jxi h ASP 150 CO -0.08 0.18 0.00 0.61 -1.72 0.00 0.00 179.24 178.23 3jxi n GLY 151 N -1.26 -1.35 0.06 2.75 0.00 -0.89 -2.64 105.19 101.86 3jxi n GLY 151 Ca -0.01 0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.22 0.27 -4.66 0.99 4.77 -0.93 -4.86 117.00 110.37 3jxi n LEU 152 Ca 0.03 0.14 -0.47 0.00 -0.03 0.00 0.00 56.01 55.68 3jxi n LEU 152 Cb 0.26 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 3jxi n LEU 152 CO 0.21 0.05 1.10 -1.84 -1.33 0.00 0.00 177.39 175.59 3jxi n GLU 153 N -1.14 1.95 0.00 3.23 0.28 -1.08 -1.59 120.64 122.28 3jxi n GLU 153 Ca 0.13 0.70 0.00 0.00 -0.16 0.00 0.00 57.16 57.83 3jxi n GLU 153 Cb 0.27 -2.42 0.00 0.00 1.43 0.00 0.00 31.44 30.72 3jxi n GLU 153 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3jxi n GLY 154 N 2.99 2.61 0.07 -1.84 0.00 -1.26 -4.93 105.19 102.83 3jxi n GLY 154 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 0.10 0.16 0.99 5.85 -1.63 -0.78 115.31 120.00 3jxi h LEU 155 Ca 0.00 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.62 3jxi h LEU 155 Cb 0.00 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3jxi h LEU 155 CO 0.00 0.19 -0.39 0.25 -0.34 0.00 0.00 178.44 178.15 3jxi h LEU 156 N 0.01 -1.13 -0.99 2.25 5.85 -1.92 -1.00 115.31 118.38 3jxi h LEU 156 Ca 0.03 0.12 0.15 0.00 0.84 0.00 0.00 57.88 59.02 3jxi h LEU 156 Cb 0.12 0.42 -0.10 0.00 0.37 0.00 0.00 40.66 41.47 3jxi h LEU 156 CO -0.00 -0.48 0.60 0.28 -0.34 0.00 0.00 178.44 178.50 3jxi h SER 157 N -0.65 0.82 -0.05 1.25 0.02 -1.94 -0.91 113.55 112.09 3jxi h SER 157 Ca 0.02 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3jxi h SER 157 Cb 0.66 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.12 3jxi h SER 157 CO -0.20 0.36 0.02 0.15 -1.14 0.00 0.00 176.83 176.02 3jxi h PHE 158 N 0.85 0.08 -0.68 3.45 3.57 -0.61 -0.46 116.94 123.15 3jxi h PHE 158 Ca 0.53 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 62.07 3jxi h PHE 158 Cb 0.69 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.36 3jxi h PHE 158 CO -0.01 0.26 0.40 -0.07 -2.23 0.00 0.00 178.31 176.65 3jxi h LEU 159 N -0.11 0.61 0.12 0.59 3.38 -0.46 -0.64 115.31 118.80 3jxi h LEU 159 Ca 0.02 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3jxi h LEU 159 Cb 0.21 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3jxi h LEU 159 CO -0.00 0.40 -0.06 -0.07 0.09 0.00 0.00 178.44 178.80 3jxi h LEU 160 N 0.74 -0.14 -1.07 1.67 4.07 -1.10 0.34 115.31 119.81 3jxi h LEU 160 Ca 0.30 -0.25 -0.08 0.00 0.08 0.00 0.00 57.88 57.93 3jxi h LEU 160 Cb 0.14 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 3jxi h LEU 160 CO -0.16 0.18 -0.23 0.71 -1.08 0.00 0.00 178.44 177.86 3jxi h THR 161 N -0.47 1.25 -0.06 0.22 1.35 -1.01 -2.62 112.91 111.57 3jxi h THR 161 Ca -0.02 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 3jxi h THR 161 Cb 0.38 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 3jxi h THR 161 CO 0.03 0.36 0.00 1.41 -0.25 0.00 0.00 175.52 177.07 3jxi n HIS 162 N -4.15 0.06 -3.60 4.73 8.25 -0.25 -4.94 115.22 115.31 3jxi n HIS 162 Ca -0.00 -0.03 -0.21 0.00 -0.26 0.00 0.00 57.72 57.22 3jxi n HIS 162 Cb 0.37 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.54 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 0.40 -6.04 -4.20 -0.41 5.02 0.07 -5.01 118.16 107.99 3jxi n LYS 163 Ca 0.18 0.73 -0.25 0.00 -2.02 0.00 0.00 58.31 56.96 3jxi n LYS 163 Cb 0.39 -5.57 -0.08 0.00 -0.02 0.00 0.00 35.03 29.75 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 -5.84 2.19 0.08 1.97 1.02 0.97 -5.02 119.74 115.11 3jxi s LYS 164 Ca 0.14 -1.80 0.01 0.00 0.02 0.00 0.00 55.97 54.35 3jxi s LYS 164 Cb -0.07 -1.97 -0.04 0.00 -0.52 0.00 0.00 37.83 35.23 3jxi s LYS 164 CO 0.77 -0.02 -0.06 1.03 -0.92 0.00 0.00 175.35 176.15 3jxi s ARG 165 N -3.84 0.75 0.34 1.68 0.52 -1.26 -4.54 118.95 112.60 3jxi s ARG 165 Ca 0.39 -1.22 0.26 0.00 -0.52 0.00 0.00 55.73 54.64 3jxi s ARG 165 Cb 0.02 -0.17 1.11 0.00 0.52 0.00 0.00 34.95 36.44 3jxi s ARG 165 CO 0.22 -0.02 1.79 -0.07 0.02 0.00 0.00 175.30 177.23 3jxi h LEU 166 N 3.25 0.00 -0.19 2.53 3.38 -1.96 -2.63 115.31 119.69 3jxi h LEU 166 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3jxi h LEU 166 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3jxi h LEU 166 CO 0.61 0.00 -0.35 0.35 0.09 0.00 0.00 178.44 179.14 3jxi n THR 167 N -2.45 0.00 -1.99 0.22 -2.24 -1.26 -4.58 114.28 101.98 3jxi n THR 167 Ca 0.01 -0.05 -0.38 0.00 -2.27 0.00 0.00 64.05 61.36 3jxi n THR 167 Cb 0.23 0.22 0.02 0.00 -2.10 0.00 0.00 70.33 68.69 3jxi n THR 167 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3jxi s ASP 168 N -2.78 5.77 0.31 3.42 1.01 -0.99 -4.85 116.67 118.56 3jxi s ASP 168 Ca 0.17 2.60 0.02 0.00 0.71 0.00 0.00 52.55 56.06 3jxi s ASP 168 Cb 0.18 -2.63 0.58 0.00 1.01 0.00 0.00 42.92 42.07 3jxi s ASP 168 CO 0.61 -1.21 1.89 -0.33 0.21 0.00 0.00 175.17 176.33 3jxi h GLU 169 N 1.90 0.94 0.00 8.23 4.39 -1.91 0.21 114.58 128.33 3jxi h GLU 169 Ca -0.50 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.14 3jxi h GLU 169 Cb 1.27 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 3jxi h GLU 169 CO 0.59 0.62 0.00 1.05 -1.16 0.00 0.00 179.01 180.11 3jxi h GLU 170 N 0.96 0.00 -0.48 2.33 4.11 -1.94 -0.68 114.58 118.88 3jxi h GLU 170 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.84 3jxi h GLU 170 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3jxi h GLU 170 CO -0.17 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.10 3jxi n PHE 171 N -2.50 0.73 -4.36 2.06 3.72 0.05 -4.03 117.46 113.14 3jxi n PHE 171 Ca -0.01 -0.53 -0.28 0.00 -0.05 0.00 0.00 57.45 56.58 3jxi n PHE 171 Cb 0.07 -0.06 -0.11 0.00 -0.94 0.00 0.00 39.48 38.45 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 -1.19 1.72 -0.33 -1.08 0.52 -0.26 -4.24 118.95 114.09 3jxi s ARG 172 Ca 0.34 -1.37 -0.29 0.00 -0.52 0.00 0.00 55.73 53.90 3jxi s ARG 172 Cb 0.19 -2.00 0.00 0.00 0.52 0.00 0.00 34.95 33.67 3jxi s ARG 172 CO 0.21 0.43 1.37 -2.00 0.02 0.00 0.00 175.30 175.33 3jxi s GLU 173 N -2.56 3.79 0.52 3.54 2.12 0.94 -4.91 118.70 122.13 3jxi s GLU 173 Ca 0.21 1.18 0.19 0.00 0.36 0.00 0.00 54.97 56.91 3jxi s GLU 173 Cb -0.09 -3.94 1.30 0.00 0.26 0.00 0.00 34.13 31.66 3jxi s GLU 173 CO 0.11 -1.29 2.09 -1.35 -0.54 0.00 0.00 175.26 174.29 3jxi h PRO 174 N 9.90 0.02 0.00 4.30 0.11 -1.89 0.18 132.00 144.62 3jxi h PRO 174 Ca -0.27 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.74 3jxi h PRO 174 Cb 1.11 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3jxi h PRO 174 CO 1.05 0.02 -0.45 0.66 -0.21 0.00 0.00 178.00 179.06 3jxi h SER 175 N 0.02 0.00 0.00 -2.05 4.64 -1.98 -3.38 113.55 110.81 3jxi h SER 175 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3jxi h SER 175 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3jxi h SER 175 CO -0.00 0.45 -0.47 0.35 -0.87 0.00 0.00 176.83 176.29 3jxi n THR 176 N -3.71 0.00 -0.64 2.95 -2.24 -0.95 -4.93 114.28 104.77 3jxi n THR 176 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3jxi n THR 176 Cb 0.52 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 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 1.24 0.86 3.71 3.38 0.00 0.58 -0.42 105.19 114.54 3jxi n GLY 177 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3jxi n GLY 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jxi s LYS 178 N -0.35 4.32 0.82 1.61 1.02 -1.25 -4.56 119.74 121.36 3jxi s LYS 178 Ca 0.00 2.03 -0.13 0.00 0.02 0.00 0.00 55.97 57.89 3jxi s LYS 178 Cb 0.00 -3.34 0.19 0.00 -0.52 0.00 0.00 37.83 34.16 3jxi s LYS 178 CO 0.00 -0.46 1.11 0.25 -0.92 0.00 0.00 175.35 175.34 3jxi n THR 179 N 4.12 0.00 0.48 2.17 -2.24 -1.26 -0.04 114.28 117.50 3jxi n THR 179 Ca 0.12 -0.87 0.11 0.00 -2.27 0.00 0.00 64.05 61.13 3jxi n THR 179 Cb 0.43 -1.54 0.44 0.00 -2.10 0.00 0.00 70.33 67.56 3jxi n THR 179 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3jxi h LEU 181 N 0.00 -0.15 -1.08 0.00 5.85 -1.94 0.12 115.31 118.11 3jxi h LEU 181 Ca 0.00 -0.31 0.08 0.00 0.84 0.00 0.00 57.88 58.49 3jxi h LEU 181 Cb 0.38 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 3jxi h LEU 181 CO 0.00 0.25 0.62 -0.65 -0.34 0.00 0.00 178.44 178.32 3jxi h PRO 182 N -0.57 1.03 -0.95 5.25 0.11 -1.95 -1.66 132.00 133.27 3jxi h PRO 182 Ca -0.02 -0.06 0.09 0.00 0.11 0.00 0.00 66.00 66.12 3jxi h PRO 182 Cb 0.44 -0.23 -0.07 0.00 0.11 0.00 0.00 31.00 31.25 3jxi h PRO 182 CO 0.03 0.68 0.60 -0.22 -0.21 0.00 0.00 178.00 178.88 3jxi h LYS 183 N 1.07 1.00 -0.44 1.05 1.63 -1.60 -1.01 116.57 118.26 3jxi h LYS 183 Ca 0.42 -0.06 -0.14 0.00 -0.85 0.00 0.00 60.65 60.02 3jxi h LYS 183 Cb 0.25 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 3jxi h LYS 183 CO -0.17 0.66 -0.27 0.00 -3.45 0.00 0.00 179.45 176.22 3jxi h ALA 184 N 1.47 0.63 0.00 5.00 0.00 -0.31 -3.03 119.26 123.02 3jxi h ALA 184 Ca 0.44 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3jxi h ALA 184 Cb 0.30 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3jxi h ALA 184 CO -0.22 0.65 0.00 -0.07 0.00 0.00 0.00 179.25 179.62 3jxi h LEU 185 N 0.80 0.00 -1.36 0.00 3.38 -0.94 -1.88 115.31 115.31 3jxi h LEU 185 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3jxi h LEU 185 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3jxi h LEU 185 CO 0.08 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.79 3jxi n LEU 186 N -2.95 2.06 -3.42 1.67 4.77 -0.42 -4.55 117.00 114.17 3jxi n LEU 186 Ca 0.04 -0.80 -0.27 0.00 -0.03 0.00 0.00 56.01 54.95 3jxi n LEU 186 Cb 0.46 -0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.37 3jxi n LEU 186 CO 0.32 0.40 -0.28 0.59 -1.33 0.00 0.00 177.39 177.09 3jxi n ASN 187 N 0.59 0.07 -4.85 -1.43 3.02 -0.71 -5.06 115.26 106.88 3jxi n ASN 187 Ca 0.17 -2.53 -0.29 0.00 -0.03 0.00 0.00 54.58 51.90 3jxi n ASN 187 Cb 0.41 -0.59 -0.05 0.00 -0.61 0.00 0.00 39.78 38.95 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 -0.34 4.07 -0.20 3.41 1.43 -1.26 -4.66 118.68 121.13 3jxi s LEU 188 Ca 0.33 0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.48 3jxi s LEU 188 Cb 0.05 -2.69 0.06 0.00 0.03 0.00 0.00 46.19 43.65 3jxi s LEU 188 CO -0.18 0.12 0.02 -0.55 0.23 0.00 0.00 176.35 175.99 3jxi s SER 189 N -2.75 3.10 -1.31 2.29 0.15 0.48 -4.71 113.70 110.94 3jxi s SER 189 Ca 0.32 -0.89 -0.05 0.00 0.70 0.00 0.00 55.95 56.03 3jxi s SER 189 Cb -0.12 -0.72 0.01 0.00 -1.71 0.00 0.00 66.02 63.49 3jxi s SER 189 CO 0.25 -0.29 1.02 0.00 1.20 0.00 0.00 173.24 175.42 3jxi n ALA 190 N 4.97 -1.68 -1.05 5.45 0.00 -1.26 -2.78 120.51 124.16 3jxi n ALA 190 Ca -0.10 0.12 -0.02 0.00 0.00 0.00 0.00 53.44 53.45 3jxi n ALA 190 Cb 0.46 -3.70 -0.01 0.00 0.00 0.00 0.00 19.45 16.21 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 -1.58 0.46 3.01 0.00 0.00 -1.26 -5.00 105.19 100.81 3jxi n GLY 191 Ca -0.15 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.12 0.35 -0.24 1.61 1.81 -1.12 -5.02 118.95 115.22 3jxi s ARG 192 Ca 0.00 -0.57 -0.04 0.00 -1.72 0.00 0.00 55.73 53.41 3jxi s ARG 192 Cb 0.00 0.13 0.10 0.00 -0.45 0.00 0.00 34.95 34.73 3jxi s ARG 192 CO 0.00 -0.06 0.17 1.21 -0.68 0.00 0.00 175.30 175.93 3jxi s ASN 193 N -1.45 2.46 0.00 0.23 3.84 -1.26 -0.39 114.94 118.36 3jxi s ASN 193 Ca -0.16 -0.80 0.25 0.00 0.21 0.00 0.00 52.86 52.36 3jxi s ASN 193 Cb -0.09 -0.02 1.47 0.00 -0.55 0.00 0.00 41.25 42.06 3jxi s ASN 193 CO -0.00 -0.39 1.86 0.47 -2.79 0.00 0.00 177.10 176.25 3jxi n ASP 194 N 5.28 0.00 0.26 -4.21 8.00 -1.26 -1.08 116.55 123.54 3jxi n ASP 194 Ca -0.05 -0.68 0.15 0.00 0.71 0.00 0.00 54.79 54.92 3jxi n ASP 194 Cb 0.46 -0.05 0.58 0.00 -0.02 0.00 0.00 41.12 42.09 3jxi n ASP 194 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3jxi h THR 195 N 0.00 0.18 0.07 -3.53 1.35 -1.89 -3.37 112.91 105.73 3jxi h THR 195 Ca 0.00 -0.74 -0.00 0.00 -0.55 0.00 0.00 66.41 65.12 3jxi h THR 195 Cb 0.04 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 3jxi h THR 195 CO 0.00 0.07 -0.04 0.40 -0.25 0.00 0.00 175.52 175.70 3jxi h ILE 196 N 0.00 0.99 -0.32 6.82 2.04 -1.52 0.11 117.51 125.63 3jxi h ILE 196 Ca -0.00 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 3jxi h ILE 196 Cb 0.62 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 3jxi h ILE 196 CO 0.01 0.05 -0.04 -0.65 0.00 0.00 0.00 178.15 177.52 3jxi h PRO 197 N -0.19 0.52 -0.34 2.37 0.11 -1.79 -2.12 132.00 130.55 3jxi h PRO 197 Ca -0.01 -0.12 -0.13 0.00 0.11 0.00 0.00 66.00 65.84 3jxi h PRO 197 Cb 0.16 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 3jxi h PRO 197 CO 0.02 0.58 -0.33 0.97 -0.21 0.00 0.00 178.00 179.03 3jxi h ILE 198 N 0.49 1.28 -0.66 4.15 6.09 -1.60 -2.62 117.51 124.65 3jxi h ILE 198 Ca 0.10 -1.48 -0.04 0.00 -1.37 0.00 0.00 64.86 62.08 3jxi h ILE 198 Cb 0.39 1.37 -0.03 0.00 0.47 0.00 0.00 36.82 39.02 3jxi h ILE 198 CO 0.02 0.48 0.27 -0.07 -3.07 0.00 0.00 178.15 175.78 3jxi h LEU 199 N 0.63 0.90 -0.70 2.19 3.38 -0.20 -1.54 115.31 119.97 3jxi h LEU 199 Ca 0.07 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3jxi h LEU 199 Cb 0.86 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 3jxi h LEU 199 CO 0.07 0.82 0.20 -0.07 0.09 0.00 0.00 178.44 179.56 3jxi h LEU 200 N 0.92 1.03 -0.50 1.67 3.38 -1.32 -1.01 115.31 119.49 3jxi h LEU 200 Ca 0.22 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3jxi h LEU 200 Cb 0.20 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3jxi h LEU 200 CO -0.02 0.98 -0.19 -0.78 0.09 0.00 0.00 178.44 178.52 3jxi h ASP 201 N 1.03 1.02 -0.24 -0.43 1.82 -1.36 -1.39 116.42 116.87 3jxi h ASP 201 Ca 0.22 -0.38 -0.01 0.00 -0.39 0.00 0.00 57.03 56.47 3jxi h ASP 201 Cb 0.33 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.05 3jxi h ASP 201 CO -0.00 1.18 0.11 0.40 -1.61 0.00 0.00 179.24 179.31 3jxi h ILE 202 N 0.86 1.15 -0.86 2.25 2.04 -1.03 -1.14 117.51 120.79 3jxi h ILE 202 Ca 0.12 -0.43 0.10 0.00 1.00 0.00 0.00 64.86 65.65 3jxi h ILE 202 Cb 0.76 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.77 3jxi h ILE 202 CO 0.06 0.15 0.56 0.00 0.00 0.00 0.00 178.15 178.92 3jxi h ALA 203 N 0.97 1.70 -0.34 1.87 0.00 -1.11 -1.66 119.26 120.68 3jxi h ALA 203 Ca 0.08 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3jxi h ALA 203 Cb 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3jxi h ALA 203 CO -0.01 0.12 -0.09 1.49 0.00 0.00 0.00 179.25 180.75 3jxi h GLU 204 N 0.81 0.67 0.00 0.00 4.81 -0.79 0.33 114.58 120.41 3jxi h GLU 204 Ca 0.40 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3jxi h GLU 204 Cb 0.46 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3jxi h GLU 204 CO -0.17 0.84 0.00 1.63 -0.73 0.00 0.00 179.01 180.58 3jxi n LYS 205 N -4.41 0.11 -0.75 1.92 5.02 -0.47 -2.09 118.16 117.49 3jxi n LYS 205 Ca -0.02 0.22 0.07 0.00 -2.02 0.00 0.00 58.31 56.56 3jxi n LYS 205 Cb 0.34 -1.67 0.36 0.00 -0.02 0.00 0.00 35.03 34.04 3jxi n LYS 205 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3jxi n THR 206 N -1.87 2.62 -3.20 -0.18 -2.24 -0.67 -4.95 114.28 103.79 3jxi n THR 206 Ca 0.05 -1.58 -0.23 0.00 -2.27 0.00 0.00 64.05 60.01 3jxi n THR 206 Cb 0.29 -0.27 0.03 0.00 -2.10 0.00 0.00 70.33 68.28 3jxi n THR 206 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jxi n GLY 207 N 0.22 -0.52 0.11 3.38 0.00 -0.89 -4.89 105.19 102.60 3jxi n GLY 207 Ca 0.26 0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.55 0.74 -0.06 1.61 4.05 0.11 -4.94 115.26 114.22 3jxi n ASN 208 Ca -0.07 -1.67 -0.14 0.00 0.45 0.00 0.00 54.58 53.15 3jxi n ASN 208 Cb 0.59 -0.09 -0.06 0.00 1.23 0.00 0.00 39.78 41.45 3jxi n ASN 208 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 177.26 174.18 3jxi h MET 209 N 0.00 0.51 -0.37 1.20 4.05 -1.76 -0.92 114.93 117.64 3jxi h MET 209 Ca 0.00 -0.30 -0.05 0.00 -0.28 0.00 0.00 59.70 59.08 3jxi h MET 209 Cb 0.96 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.77 3jxi h MET 209 CO 0.00 0.89 0.05 0.00 0.23 0.00 0.00 176.91 178.08 3jxi h ARG 210 N 0.16 0.62 -0.55 0.39 3.08 -1.91 -1.45 114.38 114.72 3jxi h ARG 210 Ca 0.02 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 3jxi h ARG 210 Cb 0.83 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.79 3jxi h ARG 210 CO 0.06 0.69 0.31 0.93 -1.07 0.00 0.00 179.97 180.89 3jxi h GLU 211 N 0.46 0.77 -0.20 0.04 3.07 -1.94 -1.21 114.58 115.57 3jxi h GLU 211 Ca 0.11 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 3jxi h GLU 211 Cb 0.37 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 3jxi h GLU 211 CO 0.01 0.59 0.09 0.35 -1.40 0.00 0.00 179.01 178.65 3jxi h PHE 212 N 0.74 0.30 -0.40 4.33 3.04 -1.03 -1.08 116.94 122.83 3jxi h PHE 212 Ca 0.19 -0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.06 3jxi h PHE 212 Cb 0.04 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.44 3jxi h PHE 212 CO -0.02 0.31 -0.02 0.82 -2.02 0.00 0.00 178.31 177.39 3jxi h ILE 213 N 0.20 1.23 -0.59 1.41 2.04 -1.14 -3.07 117.51 117.58 3jxi h ILE 213 Ca 0.07 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.99 3jxi h ILE 213 Cb 0.13 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3jxi h ILE 213 CO -0.01 0.32 0.00 0.59 0.00 0.00 0.00 178.15 179.06 3jxi n ASN 214 N -4.23 3.65 -4.68 1.72 3.02 -0.47 -4.16 115.26 110.11 3jxi n ASN 214 Ca 0.02 -1.99 -0.44 0.00 -0.03 0.00 0.00 54.58 52.15 3jxi n ASN 214 Cb 0.29 -0.39 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 3jxi n ASN 214 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3jxi n SER 215 N 1.40 3.91 -4.79 6.41 2.88 -0.42 -4.93 113.62 118.07 3jxi n SER 215 Ca 0.21 0.97 -0.37 0.00 -1.33 0.00 0.00 58.87 58.35 3jxi n SER 215 Cb 0.58 -1.50 -0.06 0.00 -0.75 0.00 0.00 64.21 62.47 3jxi n SER 215 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3jxi s PRO 216 N 3.22 4.45 0.34 -1.46 0.04 -1.26 -4.58 135.00 135.74 3jxi s PRO 216 Ca 0.85 1.13 0.04 0.00 0.04 0.00 0.00 61.00 63.06 3jxi s PRO 216 Cb -0.52 -2.85 -0.06 0.00 0.04 0.00 0.00 34.50 31.11 3jxi s PRO 216 CO 0.41 0.34 0.06 -0.59 0.04 0.00 0.00 177.00 177.26 3jxi s PHE 217 N -1.56 1.95 0.03 0.56 -0.71 0.12 -4.60 117.98 113.77 3jxi s PHE 217 Ca 0.47 -0.98 0.01 0.00 -1.04 0.00 0.00 56.93 55.39 3jxi s PHE 217 Cb -0.18 -1.28 -0.02 0.00 -1.21 0.00 0.00 43.02 40.32 3jxi s PHE 217 CO 0.23 -0.01 -0.06 -0.98 -1.34 0.00 0.00 175.22 173.06 3jxi s ARG 218 N -3.87 0.45 0.00 1.99 1.70 0.44 -2.34 118.95 117.31 3jxi s ARG 218 Ca 0.35 -0.71 0.00 0.00 -0.47 0.00 0.00 55.73 54.90 3jxi s ARG 218 Cb 0.08 -0.13 0.00 0.00 -0.57 0.00 0.00 34.95 34.33 3jxi s ARG 218 CO 0.15 0.01 0.00 -0.40 -1.08 0.00 0.00 175.30 173.98 3jxi n ASP 219 N 1.49 0.33 0.10 -2.89 5.68 -0.55 -4.53 116.55 116.19 3jxi n ASP 219 Ca -0.23 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.19 3jxi n ASP 219 Cb 0.55 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 40.93 3jxi n ASP 219 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 3jxi n VAL 220 N 0.00 0.58 -0.10 2.12 3.14 -1.26 -4.11 118.33 118.69 3jxi n VAL 220 Ca 0.00 -0.28 -0.13 0.00 -2.96 0.00 0.00 64.34 60.97 3jxi n VAL 220 Cb 0.00 -0.56 -0.11 0.00 -1.06 0.00 0.00 33.84 32.11 3jxi n VAL 220 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 3jxi n TYR 221 N -2.25 0.00 -3.95 1.45 4.01 -1.26 -4.64 117.16 110.52 3jxi n TYR 221 Ca 0.05 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.70 3jxi n TYR 221 Cb 0.43 -0.84 -0.11 0.00 -0.31 0.00 0.00 39.34 38.52 3jxi n TYR 221 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3jxi s TYR 222 N -2.43 0.21 0.29 -0.72 2.02 -1.26 -1.33 117.35 114.13 3jxi s TYR 222 Ca -0.23 -0.45 0.11 0.00 -0.37 0.00 0.00 57.07 56.13 3jxi s TYR 222 Cb 0.07 -0.16 -0.05 0.00 -0.40 0.00 0.00 41.96 41.42 3jxi s TYR 222 CO 0.56 -0.23 -0.17 -0.98 -1.57 0.00 0.00 175.55 173.15 3jxi s ARG 223 N -1.62 1.76 0.00 -0.62 1.70 0.71 -1.48 118.95 119.39 3jxi s ARG 223 Ca -0.14 -1.75 0.00 0.00 -0.47 0.00 0.00 55.73 53.37 3jxi s ARG 223 Cb -0.08 -1.80 0.00 0.00 -0.57 0.00 0.00 34.95 32.49 3jxi s ARG 223 CO -0.01 0.31 0.00 0.41 -1.08 0.00 0.00 175.30 174.93 3jxi n GLY 224 N -0.67 0.86 3.75 3.88 0.00 -1.05 -0.10 105.19 111.88 3jxi n GLY 224 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.03 3.30 0.31 1.61 -0.21 -0.99 -4.36 119.66 119.30 3jxi s GLN 225 Ca 0.00 2.16 0.03 0.00 0.02 0.00 0.00 55.36 57.57 3jxi s GLN 225 Cb 0.00 -2.32 -0.06 0.00 1.00 0.00 0.00 33.01 31.63 3jxi s GLN 225 CO 0.00 -1.04 0.08 0.95 -2.12 0.00 0.00 175.29 173.16 3jxi s THR 226 N -1.34 0.90 0.42 -0.19 -4.23 -1.26 -0.70 115.64 109.23 3jxi s THR 226 Ca 0.69 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.38 3jxi s THR 226 Cb -0.38 -2.70 0.39 0.00 1.34 0.00 0.00 72.50 71.14 3jxi s THR 226 CO 0.46 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 176.38 3jxi h ALA 227 N 2.19 2.23 -0.24 3.99 0.00 -1.81 -2.33 119.26 123.29 3jxi h ALA 227 Ca -0.39 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 3jxi h ALA 227 Cb 1.25 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3jxi h ALA 227 CO 0.65 -0.54 0.02 1.25 0.00 0.00 0.00 179.25 180.63 3jxi h LEU 228 N 0.39 0.40 -0.53 0.00 5.85 -1.95 -0.59 115.31 118.89 3jxi h LEU 228 Ca 0.49 -0.28 0.11 0.00 0.84 0.00 0.00 57.88 59.04 3jxi h LEU 228 Cb 1.25 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 42.08 3jxi h LEU 228 CO -0.19 0.58 -0.04 0.45 -0.34 0.00 0.00 178.44 178.90 3jxi h HIS 229 N 0.20 -0.11 -0.33 1.25 3.86 -1.82 -1.63 115.15 116.56 3jxi h HIS 229 Ca 0.07 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3jxi h HIS 229 Cb 0.36 0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 3jxi h HIS 229 CO 0.03 -0.16 0.21 0.82 0.86 0.00 0.00 177.93 179.68 3jxi h ILE 230 N 0.08 1.10 -0.39 2.45 2.04 -1.24 -0.82 117.51 120.72 3jxi h ILE 230 Ca 0.27 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.91 3jxi h ILE 230 Cb 0.41 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3jxi h ILE 230 CO -0.48 0.10 0.26 0.00 0.00 0.00 0.00 178.15 178.03 3jxi h ALA 231 N 1.09 1.75 0.01 1.87 0.00 -0.68 0.16 119.26 123.47 3jxi h ALA 231 Ca 0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3jxi h ALA 231 Cb -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3jxi h ALA 231 CO -0.02 0.23 -0.01 0.82 0.00 0.00 0.00 179.25 180.27 3jxi h ILE 232 N 0.51 1.52 -0.82 0.00 2.04 -1.07 0.25 117.51 119.95 3jxi h ILE 232 Ca 0.15 -1.78 0.06 0.00 1.00 0.00 0.00 64.86 64.29 3jxi h ILE 232 Cb -0.02 2.70 -0.06 0.00 -0.74 0.00 0.00 36.82 38.70 3jxi h ILE 232 CO -0.03 0.45 0.51 -0.08 0.00 0.00 0.00 178.15 178.99 3jxi h GLU 233 N -0.80 0.91 0.00 2.37 4.57 -0.84 0.57 114.58 121.36 3jxi h GLU 233 Ca -0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3jxi h GLU 233 Cb 0.75 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 3jxi h GLU 233 CO 0.00 0.60 0.00 0.54 -1.18 0.00 0.00 179.01 178.98 3jxi n ARG 234 N -4.64 0.34 -2.53 1.92 5.12 0.52 -4.89 116.66 112.50 3jxi n ARG 234 Ca 0.11 0.06 -0.09 0.00 -1.93 0.00 0.00 57.85 56.01 3jxi n ARG 234 Cb 0.16 -1.50 0.01 0.00 -1.16 0.00 0.00 32.46 29.97 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 -1.28 -1.85 -3.53 5.56 1.74 0.19 -4.98 116.66 112.51 3jxi n ARG 235 Ca 0.11 0.36 -0.41 0.00 -0.77 0.00 0.00 57.85 57.14 3jxi n ARG 235 Cb 0.19 -4.08 -0.05 0.00 -1.02 0.00 0.00 32.46 27.49 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 6.98 0.35 -0.41 0.00 3.64 -1.94 -1.99 116.57 123.20 3jxi h LYS 237 Ca 0.09 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 3jxi h LYS 237 Cb 0.94 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 3jxi h LYS 237 CO 0.79 0.23 -0.04 1.25 -2.27 0.00 0.00 179.45 179.42 3jxi h HIS 238 N 0.37 0.82 -0.05 1.91 2.76 -1.95 -1.62 115.15 117.39 3jxi h HIS 238 Ca 0.23 -0.16 -0.15 0.00 -2.20 0.00 0.00 60.37 58.09 3jxi h HIS 238 Cb 0.43 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 3jxi h HIS 238 CO -0.00 0.84 -0.66 1.88 -1.30 0.00 0.00 177.93 178.69 3jxi h TYR 239 N 0.57 0.26 -0.52 5.26 0.05 -1.86 -2.00 116.97 118.72 3jxi h TYR 239 Ca 0.11 -0.11 0.05 0.00 0.05 0.00 0.00 58.73 58.83 3jxi h TYR 239 Cb 0.54 -0.04 -0.05 0.00 1.01 0.00 0.00 36.73 38.19 3jxi h TYR 239 CO 0.04 0.80 0.26 0.28 -1.05 0.00 0.00 178.16 178.49 3jxi h VAL 240 N 0.14 0.94 0.20 -2.88 2.07 -1.17 -0.96 116.25 114.60 3jxi h VAL 240 Ca -0.01 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3jxi h VAL 240 Cb 1.19 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3jxi h VAL 240 CO 0.10 0.09 -0.10 -0.33 0.02 0.00 0.00 177.57 177.35 3jxi h GLU 241 N 0.50 -0.26 -0.67 1.57 5.08 -1.17 -1.42 114.58 118.21 3jxi h GLU 241 Ca 0.23 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.75 3jxi h GLU 241 Cb 0.15 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.36 3jxi h GLU 241 CO -0.17 0.03 0.10 1.25 -1.00 0.00 0.00 179.01 179.22 3jxi h LEU 242 N -0.55 -0.11 -0.03 1.33 6.46 -1.27 0.31 115.31 121.45 3jxi h LEU 242 Ca -0.03 0.15 -0.16 0.00 -0.12 0.00 0.00 57.88 57.72 3jxi h LEU 242 Cb 0.41 0.22 0.01 0.00 -0.73 0.00 0.00 40.66 40.58 3jxi h LEU 242 CO 0.05 -0.07 -0.60 -0.07 -0.62 0.00 0.00 178.44 177.13 3jxi h LEU 243 N 0.20 0.58 -0.52 2.25 3.38 -1.06 -2.09 115.31 118.05 3jxi h LEU 243 Ca 0.36 -0.72 0.04 0.00 0.09 0.00 0.00 57.88 57.65 3jxi h LEU 243 Cb 0.60 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 3jxi h LEU 243 CO -0.51 1.22 0.28 0.58 0.09 0.00 0.00 178.44 180.11 3jxi h VAL 244 N -0.01 1.00 -0.56 1.22 2.07 -0.95 0.87 116.25 119.89 3jxi h VAL 244 Ca -0.07 -0.19 0.14 0.00 0.82 0.00 0.00 66.70 67.41 3jxi h VAL 244 Cb 1.29 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 3jxi h VAL 244 CO 0.12 0.10 0.39 -0.33 0.02 0.00 0.00 177.57 177.87 3jxi h GLU 245 N 0.55 0.11 -0.65 1.57 5.08 -0.22 -2.44 114.58 118.60 3jxi h GLU 245 Ca 0.22 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3jxi h GLU 245 Cb 0.09 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3jxi h GLU 245 CO -0.13 0.07 0.00 1.63 -1.00 0.00 0.00 179.01 179.58 3jxi n LYS 246 N -4.41 2.77 0.00 2.33 5.02 -0.80 -4.96 118.16 118.11 3jxi n LYS 246 Ca 0.10 -2.53 0.00 0.00 -2.02 0.00 0.00 58.31 53.86 3jxi n LYS 246 Cb 0.55 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 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 1.38 1.46 3.66 0.72 0.00 -0.92 -4.68 105.19 106.82 3jxi n GLY 247 Ca 0.22 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.19 0.77 -2.08 4.61 0.00 0.26 -4.89 120.51 117.99 3jxi n ALA 248 Ca 0.00 0.40 -0.43 0.00 0.00 0.00 0.00 53.44 53.42 3jxi n ALA 248 Cb 0.00 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.21 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 0.03 5.98 0.00 0.00 2.15 -1.26 -4.77 116.67 118.79 3jxi s ASP 249 Ca 0.65 1.16 0.29 0.00 0.43 0.00 0.00 52.55 55.08 3jxi s ASP 249 Cb -0.66 -2.53 1.24 0.00 -0.30 0.00 0.00 42.92 40.67 3jxi s ASP 249 CO 0.54 -1.66 1.92 1.33 -0.17 0.00 0.00 175.17 177.12 3jxi n VAL 250 N 7.33 0.00 -1.05 1.11 0.24 -1.26 -3.06 118.33 121.64 3jxi n VAL 250 Ca 0.21 -0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.60 3jxi n VAL 250 Cb 0.47 -0.46 0.19 0.00 -1.47 0.00 0.00 33.84 32.57 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 -1.47 0.38 -1.97 6.34 8.25 -1.26 -4.11 115.22 121.38 3jxi n HIS 251 Ca 0.08 -0.97 -0.41 0.00 -0.26 0.00 0.00 57.72 56.16 3jxi n HIS 251 Cb 0.33 -0.22 -0.01 0.00 1.12 0.00 0.00 29.99 31.21 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 -2.87 3.54 -0.26 -1.41 0.00 -1.17 -4.88 121.76 114.71 3jxi s ALA 252 Ca 0.36 1.41 -0.08 0.00 0.00 0.00 0.00 51.96 53.65 3jxi s ALA 252 Cb 0.31 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 3jxi s ALA 252 CO 0.05 -0.83 0.09 -0.65 0.00 0.00 0.00 175.76 174.42 3jxi s GLN 253 N -1.85 3.66 -0.63 0.00 -0.21 -1.26 -4.01 119.66 115.36 3jxi s GLN 253 Ca 0.51 -0.48 -0.21 0.00 0.02 0.00 0.00 55.36 55.20 3jxi s GLN 253 Cb -0.43 -3.37 0.08 0.00 1.00 0.00 0.00 33.01 30.29 3jxi s GLN 253 CO 0.57 -0.20 0.86 0.00 -2.12 0.00 0.00 175.29 174.39 3jxi s ALA 254 N 1.63 3.23 -0.05 6.09 0.00 0.08 -4.26 121.76 128.48 3jxi s ALA 254 Ca 0.06 -1.95 -0.16 0.00 0.00 0.00 0.00 51.96 49.91 3jxi s ALA 254 Cb -0.15 -3.72 -0.05 0.00 0.00 0.00 0.00 23.12 19.20 3jxi s ALA 254 CO 0.05 -2.58 0.41 1.03 0.00 0.00 0.00 175.76 174.67 3jxi s ARG 255 N 3.52 4.07 0.26 0.00 0.52 0.86 -4.36 118.95 123.82 3jxi s ARG 255 Ca 0.18 0.39 -0.29 0.00 -0.52 0.00 0.00 55.73 55.49 3jxi s ARG 255 Cb -0.19 -3.30 -0.09 0.00 0.52 0.00 0.00 34.95 31.88 3jxi s ARG 255 CO 0.09 0.50 1.19 0.20 0.02 0.00 0.00 175.30 177.29 3jxi s GLY 256 N -0.44 2.91 0.01 -3.53 0.00 -1.26 -0.21 107.32 104.80 3jxi s GLY 256 Ca 0.23 1.01 -0.02 0.00 0.00 0.00 0.00 44.72 45.95 3jxi s GLY 256 CO 0.11 1.73 0.19 0.50 0.00 0.00 0.00 173.10 175.63 3jxi s ARG 257 N -1.11 3.42 0.04 2.90 0.52 -0.44 -4.85 118.95 119.43 3jxi s ARG 257 Ca 0.48 -0.37 -0.00 0.00 -0.52 0.00 0.00 55.73 55.33 3jxi s ARG 257 Cb -0.34 -3.07 -0.03 0.00 0.52 0.00 0.00 34.95 32.03 3jxi s ARG 257 CO 0.42 0.65 -0.04 -0.59 0.02 0.00 0.00 175.30 175.77 3jxi s PHE 258 N -1.38 0.44 0.00 -0.53 -0.12 -1.26 -4.72 117.98 110.42 3jxi s PHE 258 Ca 0.30 -0.80 0.00 0.00 -0.05 0.00 0.00 56.93 56.38 3jxi s PHE 258 Cb -0.13 -0.32 0.00 0.00 -0.63 0.00 0.00 43.02 41.95 3jxi s PHE 258 CO 0.22 -0.27 0.09 1.19 -0.05 0.00 0.00 175.22 176.40 3jxi n PHE 259 N 0.80 0.00 -3.52 3.49 3.01 -1.26 -5.03 117.46 114.96 3jxi n PHE 259 Ca -0.19 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 57.98 3jxi n PHE 259 Cb 0.58 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.01 3jxi n PHE 259 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3jxi s GLN 260 N -0.74 3.64 0.29 -1.08 -1.52 -1.26 -4.99 119.66 114.00 3jxi s GLN 260 Ca 0.00 -0.04 0.05 0.00 -1.95 0.00 0.00 55.36 53.42 3jxi s GLN 260 Cb 0.00 -2.74 0.77 0.00 -0.22 0.00 0.00 33.01 30.82 3jxi s GLN 260 CO 0.00 0.35 1.41 -2.30 -0.25 0.00 0.00 175.29 174.50 3jxi n PRO 261 N -0.42 -0.07 -5.01 2.91 -0.02 -1.26 -3.99 135.00 127.15 3jxi n PRO 261 Ca -0.02 1.33 -0.32 0.00 -2.02 0.00 0.00 63.50 62.47 3jxi n PRO 261 Cb 0.53 -2.16 -0.15 0.00 -0.02 0.00 0.00 33.50 31.70 3jxi n PRO 261 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3jxi s LYS 262 N -5.79 2.70 -0.48 -0.52 3.01 -1.26 -5.06 119.74 112.34 3jxi s LYS 262 Ca -0.11 -0.77 -0.41 0.00 -1.01 0.00 0.00 55.97 53.66 3jxi s LYS 262 Cb 0.27 -2.35 -0.17 0.00 -1.01 0.00 0.00 37.83 34.57 3jxi s LYS 262 CO 0.70 0.45 2.17 -3.47 0.51 0.00 0.00 175.35 175.72 3jxi n ASP 263 N 2.80 1.08 0.00 2.83 4.64 -1.26 -4.83 116.55 121.81 3jxi n ASP 263 Ca -0.17 0.59 0.14 0.00 -1.38 0.00 0.00 54.79 53.97 3jxi n ASP 263 Cb 0.52 -0.99 0.75 0.00 -1.04 0.00 0.00 41.12 40.36 3jxi n ASP 263 CO 0.00 0.00 0.00 -1.84 -0.82 0.00 0.00 177.20 174.54 3jxi n GLU 264 N 7.72 0.47 -2.43 -0.67 0.00 -1.26 -4.94 120.64 119.53 3jxi n GLU 264 Ca 0.52 0.01 -0.07 0.00 0.00 0.00 0.00 57.16 57.63 3jxi n GLU 264 Cb 0.03 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 29.98 3jxi n GLU 264 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3jxi n GLY 265 N 1.14 0.29 0.21 -1.84 0.00 -1.26 -4.95 105.19 98.78 3jxi n GLY 265 Ca 0.15 -0.53 0.14 0.00 0.00 0.00 0.00 46.02 45.78 3jxi n GLY 265 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3jxi h GLY 266 N -0.35 0.00 -3.97 -0.02 0.00 -1.92 -3.44 103.07 93.37 3jxi h GLY 266 Ca -0.16 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.62 3jxi h GLY 266 CO 0.17 0.00 -0.18 -2.52 0.00 0.00 0.00 176.54 174.01 3jxi s TYR 267 N -3.42 3.48 -0.39 5.60 1.13 -1.26 -5.02 117.35 117.47 3jxi s TYR 267 Ca 0.04 0.79 -0.29 0.00 -1.41 0.00 0.00 57.07 56.21 3jxi s TYR 267 Cb 0.09 -2.19 0.00 0.00 -1.10 0.00 0.00 41.96 38.76 3jxi s TYR 267 CO 0.53 0.37 1.53 0.12 -2.51 0.00 0.00 175.55 175.59 3jxi s PHE 268 N -1.68 2.21 -0.28 -3.49 5.36 -1.26 -4.98 117.98 113.86 3jxi s PHE 268 Ca 0.43 0.65 -0.25 0.00 -0.96 0.00 0.00 56.93 56.80 3jxi s PHE 268 Cb -0.12 -4.26 0.00 0.00 -0.34 0.00 0.00 43.02 38.30 3jxi s PHE 268 CO 0.21 -2.29 0.86 -0.47 -1.46 0.00 0.00 175.22 172.07 3jxi s TYR 269 N 5.87 3.24 -0.07 10.12 5.04 -1.26 -4.88 117.35 135.42 3jxi s TYR 269 Ca 0.67 1.02 0.10 0.00 -2.44 0.00 0.00 57.07 56.42 3jxi s TYR 269 Cb -0.16 -3.22 0.15 0.00 0.35 0.00 0.00 41.96 39.07 3jxi s TYR 269 CO 0.33 -0.53 1.03 1.97 -1.34 0.00 0.00 175.55 177.02 3jxi n PHE 270 N 6.23 0.00 -0.79 4.97 1.16 -1.26 -4.56 117.46 123.20 3jxi n PHE 270 Ca 0.06 -0.60 0.00 0.00 -1.87 0.00 0.00 57.45 55.04 3jxi n PHE 270 Cb 0.48 -0.10 0.00 0.00 -1.61 0.00 0.00 39.48 38.25 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 -0.82 0.51 4.86 4.97 0.00 -1.26 -3.56 105.19 109.89 3jxi n GLY 271 Ca 0.08 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.77 0.00 -3.17 1.61 1.02 -1.26 -4.63 120.64 111.44 3jxi n GLU 272 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.86 3jxi n GLU 272 Cb 0.00 -1.02 -0.02 0.00 -0.02 0.00 0.00 31.44 30.38 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 3.95 0.19 -4.62 1.43 -1.26 -0.74 118.68 117.62 3jxi s LEU 273 Ca 0.00 0.74 -0.13 0.00 -1.03 0.00 0.00 54.13 53.72 3jxi s LEU 273 Cb 0.00 -3.60 0.18 0.00 0.03 0.00 0.00 46.19 42.80 3jxi s LEU 273 CO 0.00 -0.30 1.75 -0.65 0.23 0.00 0.00 176.35 177.38 3jxi h PRO 274 N 1.19 0.36 -0.24 1.29 0.11 -1.71 -1.57 132.00 131.43 3jxi h PRO 274 Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3jxi h PRO 274 Cb 1.20 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3jxi h PRO 274 CO 0.64 0.24 0.12 1.25 -0.21 0.00 0.00 178.00 180.04 3jxi h LEU 275 N 0.37 0.31 -1.03 2.35 5.85 -1.96 -2.45 115.31 118.75 3jxi h LEU 275 Ca 0.24 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.92 3jxi h LEU 275 Cb 0.25 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 3jxi h LEU 275 CO -0.24 0.33 0.64 0.28 -0.34 0.00 0.00 178.44 179.11 3jxi h SER 276 N 0.27 1.03 -0.68 1.25 0.02 -1.79 -1.26 113.55 112.38 3jxi h SER 276 Ca 0.08 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3jxi h SER 276 Cb 0.09 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 3jxi h SER 276 CO -0.01 0.67 0.42 0.25 -1.14 0.00 0.00 176.83 177.02 3jxi h LEU 277 N 1.17 0.81 -0.58 5.07 5.85 -1.18 -0.36 115.31 126.10 3jxi h LEU 277 Ca 0.42 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 59.02 3jxi h LEU 277 Cb 0.14 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3jxi h LEU 277 CO -0.16 0.62 0.10 0.00 -0.34 0.00 0.00 178.44 178.66 3jxi h ALA 278 N 1.22 0.76 0.01 1.25 0.00 -0.95 -0.61 119.26 120.95 3jxi h ALA 278 Ca 0.25 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3jxi h ALA 278 Cb -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3jxi h ALA 278 CO -0.05 0.51 -0.01 0.00 0.00 0.00 0.00 179.25 179.70 3jxi h ALA 279 N 1.01 -0.01 0.00 0.00 0.00 -1.13 0.11 119.26 119.23 3jxi h ALA 279 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3jxi h ALA 279 Cb 0.41 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3jxi h ALA 279 CO 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 179.25 178.83 3jxi n THR 281 N -2.67 2.35 -3.62 0.00 -2.24 -0.24 -4.98 114.28 102.87 3jxi n THR 281 Ca 0.02 -1.46 -0.25 0.00 -2.27 0.00 0.00 64.05 60.09 3jxi n THR 281 Cb 0.30 -0.14 0.04 0.00 -2.10 0.00 0.00 70.33 68.43 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 0.46 -3.92 -3.51 3.42 4.05 -0.81 -4.96 115.26 109.99 3jxi n ASN 282 Ca 0.25 -0.90 -0.27 0.00 0.45 0.00 0.00 54.58 54.11 3jxi n ASN 282 Cb 1.02 -3.92 -0.09 0.00 1.23 0.00 0.00 39.78 38.01 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 -4.05 2.21 0.27 1.20 6.02 0.01 -4.95 117.38 118.10 3jxi n GLN 283 Ca -0.17 -4.51 0.11 0.00 -0.01 0.00 0.00 57.00 52.42 3jxi n GLN 283 Cb 0.63 -2.19 0.75 0.00 1.02 0.00 0.00 30.24 30.46 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 4.46 0.00 -0.25 -1.09 0.13 -1.93 -1.14 132.00 132.19 3jxi h PRO 284 Ca 0.18 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.17 3jxi h PRO 284 Cb 0.70 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 3jxi h PRO 284 CO 0.78 0.03 -0.44 0.45 -0.23 0.00 0.00 178.00 178.59 3jxi h HIS 285 N 0.00 0.74 -0.16 1.56 3.86 -1.96 0.31 115.15 119.50 3jxi h HIS 285 Ca -0.00 -0.23 -0.18 0.00 -1.16 0.00 0.00 60.37 58.80 3jxi h HIS 285 Cb 0.07 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 28.39 3jxi h HIS 285 CO 0.00 0.95 -0.65 0.82 0.86 0.00 0.00 177.93 179.90 3jxi h ILE 286 N 0.50 1.32 -0.35 2.45 2.04 -1.75 0.95 117.51 122.67 3jxi h ILE 286 Ca 0.03 -1.93 -0.00 0.00 1.00 0.00 0.00 64.86 63.96 3jxi h ILE 286 Cb 0.96 1.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.93 3jxi h ILE 286 CO 0.09 0.60 0.20 0.58 0.00 0.00 0.00 178.15 179.62 3jxi h VAL 287 N 0.44 1.13 -0.11 1.67 2.07 -1.08 0.18 116.25 120.55 3jxi h VAL 287 Ca -0.02 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.20 3jxi h VAL 287 Cb 1.23 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 3jxi h VAL 287 CO 0.12 0.13 0.05 0.45 0.02 0.00 0.00 177.57 178.35 3jxi h HIS 288 N 0.45 0.10 -0.31 1.57 3.86 -0.81 -2.45 115.15 117.55 3jxi h HIS 288 Ca 0.12 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.35 3jxi h HIS 288 Cb 0.03 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 3jxi h HIS 288 CO -0.03 0.06 0.17 -0.92 0.86 0.00 0.00 177.93 178.07 3jxi h TYR 289 N 0.12 0.32 -0.67 2.45 3.20 -0.51 -0.43 116.97 121.45 3jxi h TYR 289 Ca 0.04 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 3jxi h TYR 289 Cb 0.00 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 3jxi h TYR 289 CO -0.09 0.18 0.30 -0.07 -1.64 0.00 0.00 178.16 176.85 3jxi h LEU 290 N 0.35 0.89 0.00 2.82 3.38 -0.53 -0.97 115.31 121.26 3jxi h LEU 290 Ca 0.13 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3jxi h LEU 290 Cb 0.02 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3jxi h LEU 290 CO -0.07 0.79 -0.55 0.71 0.09 0.00 0.00 178.44 179.41 3jxi h THR 291 N 0.93 0.33 -0.00 0.22 1.35 -1.38 -0.29 112.91 114.06 3jxi h THR 291 Ca 0.23 -1.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.59 3jxi h THR 291 Cb 0.15 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 3jxi h THR 291 CO -0.02 0.19 -0.30 -0.62 -0.25 0.00 0.00 175.52 174.51 3jxi n GLU 292 N -3.02 3.95 -1.38 4.72 1.02 -0.18 -4.75 120.64 121.00 3jxi n GLU 292 Ca 0.01 -0.14 -0.32 0.00 -0.02 0.00 0.00 57.16 56.69 3jxi n GLU 292 Cb 0.64 -0.89 0.08 0.00 -0.02 0.00 0.00 31.44 31.25 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 -1.56 4.56 0.00 1.62 2.20 -0.39 -4.94 114.94 116.43 3jxi s ASN 293 Ca 0.04 1.93 0.31 0.00 -0.94 0.00 0.00 52.86 54.20 3jxi s ASN 293 Cb 0.06 -2.54 1.70 0.00 -2.00 0.00 0.00 41.25 38.47 3jxi s ASN 293 CO 0.28 -2.00 2.11 0.61 -2.94 0.00 0.00 177.10 175.16 3jxi n GLY 294 N -0.81 -0.84 0.41 0.45 0.00 -1.26 -4.34 105.19 98.80 3jxi n GLY 294 Ca 0.10 -0.24 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 3jxi n GLY 294 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3jxi n HIS 295 N -0.81 0.00 -3.52 1.61 -0.00 -1.26 -5.04 115.22 106.20 3jxi n HIS 295 Ca 0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.93 3jxi n HIS 295 Cb 0.17 -0.59 -0.04 0.00 -0.00 0.00 0.00 29.99 29.52 3jxi n HIS 295 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 3jxi s LYS 296 N -2.42 0.53 -0.14 1.57 2.36 -1.26 -5.10 119.74 115.27 3jxi s LYS 296 Ca -0.25 1.24 -0.07 0.00 -2.55 0.00 0.00 55.97 54.35 3jxi s LYS 296 Cb 0.08 0.65 -0.04 0.00 -1.05 0.00 0.00 37.83 37.47 3jxi s LYS 296 CO 0.32 -0.33 0.09 -0.65 1.55 0.00 0.00 175.35 176.34 3jxi s GLN 297 N 2.83 3.61 0.13 4.03 -0.21 -1.26 -4.82 119.66 123.96 3jxi s GLN 297 Ca 0.02 -0.25 -0.30 0.00 0.02 0.00 0.00 55.36 54.84 3jxi s GLN 297 Cb -0.13 -3.16 -0.07 0.00 1.00 0.00 0.00 33.01 30.65 3jxi s GLN 297 CO -0.18 0.56 1.24 0.00 -2.12 0.00 0.00 175.29 174.78 3jxi s ALA 298 N -0.42 3.45 -0.28 6.09 0.00 -0.12 -4.98 121.76 125.50 3jxi s ALA 298 Ca 0.10 0.95 -0.27 0.00 0.00 0.00 0.00 51.96 52.75 3jxi s ALA 298 Cb -0.12 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.56 3jxi s ALA 298 CO 0.02 -0.44 0.95 0.34 0.00 0.00 0.00 175.76 176.62 3jxi s ASP 299 N 0.64 6.89 0.54 0.00 2.15 -1.26 -4.30 116.67 121.32 3jxi s ASP 299 Ca 0.57 1.03 0.30 0.00 0.43 0.00 0.00 52.55 54.88 3jxi s ASP 299 Cb -0.32 -2.49 1.47 0.00 -0.30 0.00 0.00 42.92 41.27 3jxi s ASP 299 CO 0.33 -0.70 1.91 -0.07 -0.17 0.00 0.00 175.17 176.48 3jxi h LEU 300 N 9.61 0.00 -0.12 -1.34 3.38 -1.97 -2.31 115.31 122.55 3jxi h LEU 300 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3jxi h LEU 300 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3jxi h LEU 300 CO 0.95 0.00 -0.14 0.54 0.09 0.00 0.00 178.44 179.88 3jxi n ARG 301 N -4.28 0.40 -1.81 1.13 1.74 -1.26 -4.45 116.66 108.12 3jxi n ARG 301 Ca 0.16 -0.12 -0.41 0.00 -0.77 0.00 0.00 57.85 56.71 3jxi n ARG 301 Cb 0.88 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.82 3jxi n ARG 301 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3jxi s ARG 302 N -2.69 4.12 0.03 5.56 6.06 -0.87 -4.91 118.95 126.26 3jxi s ARG 302 Ca 0.23 2.56 0.09 0.00 -2.50 0.00 0.00 55.73 56.10 3jxi s ARG 302 Cb 0.19 -2.97 -0.03 0.00 0.06 0.00 0.00 34.95 32.20 3jxi s ARG 302 CO 0.52 -0.53 -0.25 -0.65 -2.50 0.00 0.00 175.30 171.89 3jxi s GLN 303 N -2.01 1.88 0.00 5.12 -0.21 -1.26 -4.16 119.66 119.02 3jxi s GLN 303 Ca 0.53 -1.07 0.00 0.00 0.02 0.00 0.00 55.36 54.84 3jxi s GLN 303 Cb -0.46 -2.01 0.00 0.00 1.00 0.00 0.00 33.01 31.53 3jxi s GLN 303 CO 0.62 0.52 0.00 -0.40 -2.12 0.00 0.00 175.29 173.92 3jxi n ASP 304 N 1.86 0.00 0.22 5.90 5.75 -0.18 -4.83 116.55 125.28 3jxi n ASP 304 Ca -0.17 -0.59 0.16 0.00 -0.01 0.00 0.00 54.79 54.18 3jxi n ASP 304 Cb 0.52 0.00 0.74 0.00 -1.03 0.00 0.00 41.12 41.34 3jxi n ASP 304 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3jxi h SER 305 N 0.00 0.00 -0.27 -1.12 4.64 -1.90 0.21 113.55 115.11 3jxi h SER 305 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3jxi h SER 305 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3jxi h SER 305 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 3jxi n ARG 306 N -2.66 2.28 -1.01 4.77 1.74 -1.26 -4.92 116.66 115.60 3jxi n ARG 306 Ca -0.00 -1.92 -0.00 0.00 -0.77 0.00 0.00 57.85 55.15 3jxi n ARG 306 Cb 0.17 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.12 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 1.39 0.42 3.70 -0.13 0.00 0.73 -1.97 105.19 109.34 3jxi n GLY 307 Ca 0.18 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.08 7.29 0.94 1.61 0.01 -1.26 -3.71 114.94 117.74 3jxi s ASN 308 Ca 0.00 1.58 -0.14 0.00 -0.71 0.00 0.00 52.86 53.58 3jxi s ASN 308 Cb 0.00 -2.56 0.19 0.00 0.41 0.00 0.00 41.25 39.29 3jxi s ASN 308 CO 0.00 -0.35 1.29 0.42 -1.51 0.00 0.00 177.10 176.94 3jxi s THR 309 N 1.54 2.01 0.41 1.60 -4.23 -1.26 -1.01 115.64 114.70 3jxi s THR 309 Ca 0.50 -0.06 0.12 0.00 -1.18 0.00 0.00 61.69 61.06 3jxi s THR 309 Cb -0.19 -2.95 0.32 0.00 1.34 0.00 0.00 72.50 71.02 3jxi s THR 309 CO 0.22 0.00 1.96 1.62 -0.54 0.00 0.00 174.62 177.88 3jxi h VAL 310 N -1.53 0.91 -0.29 2.29 3.04 -1.78 -1.72 116.25 117.17 3jxi h VAL 310 Ca -0.44 -0.18 -0.16 0.00 -1.01 0.00 0.00 66.70 64.92 3jxi h VAL 310 Cb 1.24 0.35 -0.01 0.00 -2.01 0.00 0.00 31.29 30.86 3jxi h VAL 310 CO 0.38 0.09 -0.45 -0.07 -1.01 0.00 0.00 177.57 176.52 3jxi h LEU 311 N 0.51 0.81 -0.50 3.16 3.38 -1.94 -0.48 115.31 120.26 3jxi h LEU 311 Ca 0.31 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3jxi h LEU 311 Cb 0.52 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3jxi h LEU 311 CO -0.10 1.14 0.21 0.45 0.09 0.00 0.00 178.44 180.24 3jxi h HIS 312 N 0.60 0.75 -0.35 1.13 3.86 -1.80 -2.50 115.15 116.84 3jxi h HIS 312 Ca 0.04 -0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 59.14 3jxi h HIS 312 Cb 1.01 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 29.23 3jxi h HIS 312 CO 0.05 0.61 -0.04 0.00 0.86 0.00 0.00 177.93 179.42 3jxi h ALA 313 N 1.06 1.28 -0.21 2.45 0.00 -1.08 -0.70 119.26 122.06 3jxi h ALA 313 Ca 0.17 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3jxi h ALA 313 Cb 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3jxi h ALA 313 CO -0.02 0.48 -0.21 -0.07 0.00 0.00 0.00 179.25 179.43 3jxi h LEU 314 N 0.53 0.37 -0.43 0.00 3.38 -0.93 -1.95 115.31 116.28 3jxi h LEU 314 Ca 0.11 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3jxi h LEU 314 Cb 0.40 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3jxi h LEU 314 CO 0.02 0.60 -0.11 0.58 0.09 0.00 0.00 178.44 179.62 3jxi h VAL 315 N 0.34 1.27 -0.40 1.22 2.07 -1.05 -1.82 116.25 117.89 3jxi h VAL 315 Ca 0.06 -1.22 0.07 0.00 0.82 0.00 0.00 66.70 66.44 3jxi h VAL 315 Cb 0.57 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.45 3jxi h VAL 315 CO 0.04 0.41 -0.00 0.00 0.02 0.00 0.00 177.57 178.04 3jxi h ALA 316 N 0.86 0.37 0.00 1.67 0.00 -0.63 -2.90 119.26 118.62 3jxi h ALA 316 Ca 0.11 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3jxi h ALA 316 Cb 0.64 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3jxi h ALA 316 CO 0.04 -0.39 -0.03 -0.84 0.00 0.00 0.00 179.25 178.03 3jxi h ILE 317 N 0.11 0.05 -1.59 0.00 3.07 -1.40 -3.44 117.51 114.30 3jxi h ILE 317 Ca 0.20 -1.05 -0.69 0.00 1.55 0.00 0.00 64.86 64.87 3jxi h ILE 317 Cb 0.28 2.01 0.01 0.00 -0.27 0.00 0.00 36.82 38.85 3jxi h ILE 317 CO -0.33 0.03 1.07 0.00 -1.05 0.00 0.00 178.15 177.87 3jxi n ALA 318 N -2.11 0.40 -3.31 0.16 0.00 -0.69 -4.96 120.51 110.00 3jxi n ALA 318 Ca 0.04 0.26 -0.24 0.00 0.00 0.00 0.00 53.44 53.50 3jxi n ALA 318 Cb 0.53 -2.37 0.04 0.00 0.00 0.00 0.00 19.45 17.65 3jxi n ALA 318 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3jxi n ASP 319 N 6.70 2.21 -1.27 0.00 5.68 -1.26 -4.97 116.55 123.64 3jxi n ASP 319 Ca 0.29 -2.56 0.10 0.00 -0.50 0.00 0.00 54.79 52.12 3jxi n ASP 319 Cb 0.20 -0.28 0.30 0.00 -1.14 0.00 0.00 41.12 40.19 3jxi n ASP 319 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3jxi n ASN 320 N -2.20 3.99 -4.76 -1.12 3.02 -1.26 -4.36 115.26 108.56 3jxi n ASN 320 Ca 0.10 -2.16 -0.32 0.00 -0.03 0.00 0.00 54.58 52.17 3jxi n ASN 320 Cb 0.57 -0.47 0.07 0.00 -0.61 0.00 0.00 39.78 39.35 3jxi n ASN 320 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3jxi s THR 321 N -1.29 3.18 0.17 3.41 -4.23 -1.26 -4.81 115.64 110.80 3jxi s THR 321 Ca 0.45 0.48 0.02 0.00 -1.18 0.00 0.00 61.69 61.45 3jxi s THR 321 Cb 0.25 -2.97 -0.14 0.00 1.34 0.00 0.00 72.50 70.98 3jxi s THR 321 CO 0.27 -0.41 1.39 0.08 -0.54 0.00 0.00 174.62 175.40 3jxi h ARG 322 N -0.50 0.23 0.01 3.99 -0.00 -1.99 -0.52 114.38 115.60 3jxi h ARG 322 Ca -0.45 -0.24 -0.20 0.00 -0.00 0.00 0.00 59.98 59.09 3jxi h ARG 322 Cb 1.24 0.07 -0.03 0.00 -0.00 0.00 0.00 29.97 31.26 3jxi h ARG 322 CO 0.52 0.96 -0.93 0.93 -0.00 0.00 0.00 179.97 181.45 3jxi h GLU 323 N 0.13 0.02 0.16 0.08 4.39 -1.98 -1.77 114.58 115.62 3jxi h GLU 323 Ca -0.04 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 3jxi h GLU 323 Cb 1.47 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.14 3jxi h GLU 323 CO 0.13 0.94 -0.08 -0.97 -1.16 0.00 0.00 179.01 177.87 3jxi h ASN 324 N 0.01 -0.18 -0.98 1.42 -0.73 -1.87 -2.69 115.58 110.56 3jxi h ASN 324 Ca -0.02 -0.30 0.20 0.00 1.87 0.00 0.00 56.30 58.05 3jxi h ASN 324 Cb 1.64 0.05 -0.11 0.00 0.27 0.00 0.00 38.32 40.17 3jxi h ASN 324 CO 0.12 0.23 0.57 0.74 -0.37 0.00 0.00 177.43 178.72 3jxi h THR 325 N -0.63 0.66 0.25 -3.57 2.02 -1.14 -1.48 112.91 109.02 3jxi h THR 325 Ca -0.02 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 66.93 3jxi h THR 325 Cb 0.47 -0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.75 3jxi h THR 325 CO 0.04 0.13 -0.44 0.50 0.37 0.00 0.00 175.52 176.11 3jxi h LYS 326 N 0.69 -0.74 0.18 6.66 1.63 -1.22 -2.62 116.57 121.16 3jxi h LYS 326 Ca 0.58 0.05 -0.31 0.00 -0.85 0.00 0.00 60.65 60.12 3jxi h LYS 326 Cb 0.94 0.17 0.02 0.00 -0.60 0.00 0.00 32.23 32.75 3jxi h LYS 326 CO -0.41 -0.49 -1.38 0.27 -3.45 0.00 0.00 179.45 173.99 3jxi h PHE 327 N -0.77 0.70 -0.40 1.91 -0.00 -1.13 -2.60 116.94 114.65 3jxi h PHE 327 Ca -0.01 -0.51 0.03 0.00 -0.00 0.00 0.00 57.97 57.48 3jxi h PHE 327 Cb 0.74 -0.03 -0.03 0.00 -0.00 0.00 0.00 35.95 36.63 3jxi h PHE 327 CO -0.32 1.42 0.20 0.28 -0.00 0.00 0.00 178.31 179.88 3jxi h VAL 328 N 0.11 0.97 -0.92 0.88 2.07 -1.36 0.28 116.25 118.27 3jxi h VAL 328 Ca -0.20 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.20 3jxi h VAL 328 Cb 2.06 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 32.32 3jxi h VAL 328 CO 0.23 0.07 0.61 0.74 0.02 0.00 0.00 177.57 179.24 3jxi h THR 329 N 0.40 1.23 -0.11 2.57 2.02 -1.51 0.16 112.91 117.67 3jxi h THR 329 Ca 0.17 -0.43 -0.19 0.00 0.77 0.00 0.00 66.41 66.74 3jxi h THR 329 Cb 0.08 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.37 3jxi h THR 329 CO -0.12 0.23 -0.71 0.50 0.37 0.00 0.00 175.52 175.78 3jxi h LYS 330 N 1.24 0.51 0.06 6.66 3.64 -1.03 -2.25 116.57 125.41 3jxi h LYS 330 Ca 0.34 -0.40 -0.28 0.00 -1.27 0.00 0.00 60.65 59.04 3jxi h LYS 330 Cb -0.13 0.08 0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3jxi h LYS 330 CO -0.08 1.03 -1.15 1.98 -2.27 0.00 0.00 179.45 178.97 3jxi h MET 331 N 0.36 0.65 0.06 1.90 4.05 -0.77 -1.24 114.93 119.94 3jxi h MET 331 Ca -0.03 -0.78 0.02 0.00 -0.28 0.00 0.00 59.70 58.63 3jxi h MET 331 Cb 1.29 0.24 -0.03 0.00 -0.80 0.00 0.00 31.60 32.30 3jxi h MET 331 CO 0.13 1.34 -0.17 -0.92 0.23 0.00 0.00 176.91 177.52 3jxi h TYR 332 N 0.33 -0.44 -0.49 1.39 5.03 -0.71 -1.73 116.97 120.35 3jxi h TYR 332 Ca -0.16 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.10 3jxi h TYR 332 Cb 1.81 0.19 -0.02 0.00 1.55 0.00 0.00 36.73 40.26 3jxi h TYR 332 CO 0.11 -0.25 0.06 -0.44 -1.32 0.00 0.00 178.16 176.32 3jxi h ASP 333 N -0.31 0.79 -0.59 -2.11 3.32 -1.39 -2.03 116.42 114.10 3jxi h ASP 333 Ca 0.04 -0.27 0.12 0.00 0.02 0.00 0.00 57.03 56.93 3jxi h ASP 333 Cb 0.35 -0.21 -0.10 0.00 0.22 0.00 0.00 39.33 39.58 3jxi h ASP 333 CO -0.12 0.86 -0.05 0.25 -1.72 0.00 0.00 179.24 178.46 3jxi h LEU 334 N 0.69 -0.36 -0.36 1.55 6.46 -1.16 -2.73 115.31 119.39 3jxi h LEU 334 Ca 0.14 0.16 -0.19 0.00 -0.12 0.00 0.00 57.88 57.87 3jxi h LEU 334 Cb 0.42 0.30 -0.00 0.00 -0.73 0.00 0.00 40.66 40.65 3jxi h LEU 334 CO 0.01 -0.14 -0.69 -0.07 -0.62 0.00 0.00 178.44 176.93 3jxi h LEU 335 N 0.07 0.67 -0.45 2.25 3.38 -1.01 -2.16 115.31 118.06 3jxi h LEU 335 Ca 0.30 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 57.90 3jxi h LEU 335 Cb 0.48 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 3jxi h LEU 335 CO -0.54 1.17 0.20 -0.07 0.09 0.00 0.00 178.44 179.29 3jxi h LEU 336 N 0.41 0.26 0.38 1.67 3.38 -1.29 0.01 115.31 120.12 3jxi h LEU 336 Ca -0.02 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3jxi h LEU 336 Cb 1.27 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3jxi h LEU 336 CO 0.13 0.18 -0.18 0.40 0.09 0.00 0.00 178.44 179.06 3jxi h ILE 337 N 0.40 0.62 -0.82 1.22 2.04 -1.47 -1.88 117.51 117.62 3jxi h ILE 337 Ca 0.21 -0.34 0.20 0.00 1.00 0.00 0.00 64.86 65.92 3jxi h ILE 337 Cb 0.16 0.80 -0.14 0.00 -0.74 0.00 0.00 36.82 36.89 3jxi h ILE 337 CO -0.17 0.07 0.09 0.50 0.00 0.00 0.00 178.15 178.63 3jxi h LYS 338 N -0.70 0.13 -0.29 2.37 3.11 -1.34 0.31 116.57 120.15 3jxi h LYS 338 Ca -0.05 -0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 57.73 3jxi h LYS 338 Cb 0.49 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.69 3jxi h LYS 338 CO 0.08 0.09 -0.02 0.00 -2.81 0.00 0.00 179.45 176.80 3jxi h ALA 340 N 0.82 1.36 0.52 0.00 0.00 -0.40 0.95 119.26 122.51 3jxi h ALA 340 Ca 0.08 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3jxi h ALA 340 Cb 0.46 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.19 3jxi h ALA 340 CO 0.02 0.48 -0.25 -0.22 0.00 0.00 0.00 179.25 179.27 3jxi h LYS 341 N 0.03 -0.68 -0.08 0.00 3.64 -0.28 -2.91 116.57 116.30 3jxi h LYS 341 Ca 0.00 0.05 -0.24 0.00 -1.27 0.00 0.00 60.65 59.19 3jxi h LYS 341 Cb 0.67 0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.65 3jxi h LYS 341 CO 0.05 -0.39 -0.89 -0.07 -2.27 0.00 0.00 179.45 175.88 3jxi h LEU 342 N -0.87 0.86 -6.30 5.20 3.38 -0.89 -3.38 115.31 113.31 3jxi h LEU 342 Ca -0.07 -0.62 -0.59 0.00 0.09 0.00 0.00 57.88 56.69 3jxi h LEU 342 Cb 0.60 -0.26 -0.41 0.00 0.09 0.00 0.00 40.66 40.69 3jxi h LEU 342 CO 0.12 1.41 -0.81 0.49 0.09 0.00 0.00 178.44 179.75 3jxi n PHE 343 N -3.88 1.69 0.30 1.13 3.72 0.33 -4.93 117.46 115.81 3jxi n PHE 343 Ca -0.08 -3.88 0.18 0.00 -0.05 0.00 0.00 57.45 53.62 3jxi n PHE 343 Cb 0.80 -0.39 0.93 0.00 -0.94 0.00 0.00 39.48 39.88 3jxi n PHE 343 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3jxi h PRO 344 N 4.50 0.00 0.00 -1.08 0.13 -1.64 -1.11 132.00 132.81 3jxi h PRO 344 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3jxi h PRO 344 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3jxi h PRO 344 CO 0.64 0.03 0.00 -0.25 -0.23 0.00 0.00 178.00 178.19 3jxi n ASP 345 N -3.29 0.00 -4.11 1.44 8.00 -1.26 -4.78 116.55 112.54 3jxi n ASP 345 Ca -0.02 -0.60 -0.27 0.00 0.71 0.00 0.00 54.79 54.61 3jxi n ASP 345 Cb 0.18 -0.08 -0.17 0.00 -0.02 0.00 0.00 41.12 41.03 3jxi n ASP 345 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3jxi s THR 346 N -2.16 1.49 -0.45 -3.53 -4.23 -0.42 -5.10 115.64 101.25 3jxi s THR 346 Ca 0.34 -0.70 -0.22 0.00 -1.18 0.00 0.00 61.69 59.93 3jxi s THR 346 Cb 0.17 -1.31 0.03 0.00 1.34 0.00 0.00 72.50 72.73 3jxi s THR 346 CO 0.32 0.43 0.73 0.21 -0.54 0.00 0.00 174.62 175.77 3jxi s ASN 347 N 0.40 6.38 0.31 3.99 3.04 -1.26 -4.58 114.94 123.21 3jxi s ASN 347 Ca -0.13 -0.20 0.02 0.00 0.04 0.00 0.00 52.86 52.59 3jxi s ASN 347 Cb -0.15 -2.36 0.49 0.00 -1.54 0.00 0.00 41.25 37.69 3jxi s ASN 347 CO 0.05 -0.86 1.82 0.25 -3.04 0.00 0.00 177.10 175.32 3jxi h LEU 348 N 9.96 0.58 -0.36 3.21 6.46 -1.95 -2.17 115.31 131.05 3jxi h LEU 348 Ca -0.25 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.38 3jxi h LEU 348 Cb 1.09 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.87 3jxi h LEU 348 CO 0.93 0.66 0.00 -1.84 -0.62 0.00 0.00 178.44 177.58 3jxi n GLU 349 N -4.24 1.24 0.01 1.25 0.28 -1.26 -2.92 120.64 115.00 3jxi n GLU 349 Ca 0.02 -0.36 -0.05 0.00 -0.16 0.00 0.00 57.16 56.61 3jxi n GLU 349 Cb 0.28 -1.36 -0.11 0.00 1.43 0.00 0.00 31.44 31.67 3jxi n GLU 349 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3jxi h ALA 350 N 3.82 0.70 -2.79 -1.84 0.00 -1.82 -3.37 119.26 113.96 3jxi h ALA 350 Ca 0.00 -1.15 -0.52 0.00 0.00 0.00 0.00 54.91 53.24 3jxi h ALA 350 Cb 0.16 0.34 0.05 0.00 0.00 0.00 0.00 17.79 18.34 3jxi h ALA 350 CO 0.00 1.27 0.63 -0.51 0.00 0.00 0.00 179.25 180.64 3jxi s LEU 351 N -6.03 4.44 -0.10 0.00 1.43 -1.15 -4.80 118.68 112.47 3jxi s LEU 351 Ca -0.03 2.53 0.00 0.00 -1.03 0.00 0.00 54.13 55.59 3jxi s LEU 351 Cb 0.08 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.65 3jxi s LEU 351 CO 0.82 -0.49 -0.09 -0.76 0.23 0.00 0.00 176.35 176.05 3jxi s LEU 352 N -1.02 2.99 0.00 1.79 1.43 -1.26 -4.51 118.68 118.09 3jxi s LEU 352 Ca 0.52 -0.16 -0.18 0.00 -1.03 0.00 0.00 54.13 53.29 3jxi s LEU 352 Cb -0.38 -1.66 0.25 0.00 0.03 0.00 0.00 46.19 44.43 3jxi s LEU 352 CO 0.45 0.27 1.11 -0.46 0.23 0.00 0.00 176.35 177.95 3jxi n ASN 353 N 2.86 -1.14 0.00 2.29 0.23 -0.51 -4.84 115.26 114.15 3jxi n ASN 353 Ca -0.18 -1.26 0.10 0.00 -0.53 0.00 0.00 54.58 52.72 3jxi n ASN 353 Cb 0.53 -0.94 0.55 0.00 -2.08 0.00 0.00 39.78 37.83 3jxi n ASN 353 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3jxi n ASN 354 N -4.35 0.00 -0.31 0.53 5.03 -0.83 -0.48 115.26 114.84 3jxi n ASN 354 Ca 0.15 -0.11 0.14 0.00 0.87 0.00 0.00 54.58 55.63 3jxi n ASN 354 Cb 0.54 -0.25 0.58 0.00 -1.02 0.00 0.00 39.78 39.64 3jxi n ASN 354 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3jxi n ASP 355 N -1.25 1.03 -0.08 6.41 8.00 -1.26 -4.95 116.55 124.46 3jxi n ASP 355 Ca 0.11 -1.18 -0.01 0.00 0.71 0.00 0.00 54.79 54.42 3jxi n ASP 355 Cb 0.15 0.01 -0.00 0.00 -0.02 0.00 0.00 41.12 41.26 3jxi n ASP 355 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jxi n GLY 356 N 1.19 0.42 3.42 0.44 0.00 0.36 -5.04 105.19 105.99 3jxi n GLY 356 Ca 0.18 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.21 2.76 1.04 0.99 1.43 -1.25 -4.82 118.68 118.61 3jxi s LEU 357 Ca 0.00 -0.26 -0.13 0.00 -1.03 0.00 0.00 54.13 52.72 3jxi s LEU 357 Cb 0.00 -1.60 0.21 0.00 0.03 0.00 0.00 46.19 44.83 3jxi s LEU 357 CO 0.00 0.24 1.08 -0.94 0.23 0.00 0.00 176.35 176.96 3jxi s SER 358 N -0.12 2.25 0.31 2.29 1.04 -1.26 -1.42 113.70 116.79 3jxi s SER 358 Ca -0.01 1.24 0.01 0.00 0.48 0.00 0.00 55.95 57.66 3jxi s SER 358 Cb -0.14 -1.93 0.51 0.00 0.10 0.00 0.00 66.02 64.56 3jxi s SER 358 CO 0.03 -3.37 1.90 -0.65 0.98 0.00 0.00 173.24 172.13 3jxi h PRO 359 N -2.06 0.80 -0.16 4.02 0.11 -1.79 0.63 132.00 133.55 3jxi h PRO 359 Ca -0.56 -0.12 0.04 0.00 0.11 0.00 0.00 66.00 65.47 3jxi h PRO 359 Cb 1.33 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 3jxi h PRO 359 CO 0.56 0.66 -0.11 1.25 -0.21 0.00 0.00 178.00 180.15 3jxi h LEU 360 N 0.80 -0.35 -0.20 2.35 5.85 -1.94 -0.65 115.31 121.17 3jxi h LEU 360 Ca 0.19 0.08 -0.22 0.00 0.84 0.00 0.00 57.88 58.77 3jxi h LEU 360 Cb 0.15 0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.36 3jxi h LEU 360 CO -0.02 -0.14 -0.87 0.24 -0.34 0.00 0.00 178.44 177.31 3jxi h MET 361 N -0.11 0.54 -0.67 1.25 2.86 -1.84 -2.19 114.93 114.77 3jxi h MET 361 Ca 0.10 -0.51 0.05 0.00 -2.06 0.00 0.00 59.70 57.27 3jxi h MET 361 Cb 0.25 0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.99 3jxi h MET 361 CO -0.23 1.14 0.39 1.98 1.06 0.00 0.00 176.91 181.25 3jxi h MET 362 N 0.34 0.71 -0.89 1.72 1.85 -0.89 -0.80 114.93 116.96 3jxi h MET 362 Ca -0.07 -0.04 0.09 0.00 -0.61 0.00 0.00 59.70 59.06 3jxi h MET 362 Cb 1.49 -0.16 -0.07 0.00 0.43 0.00 0.00 31.60 33.29 3jxi h MET 362 CO 0.16 0.47 0.54 0.00 -0.40 0.00 0.00 176.91 177.68 3jxi h ALA 363 N 1.33 1.27 -0.23 0.39 0.00 -0.84 -1.86 119.26 119.33 3jxi h ALA 363 Ca 0.29 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.03 3jxi h ALA 363 Cb 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3jxi h ALA 363 CO -0.16 0.21 -0.61 0.00 0.00 0.00 0.00 179.25 178.69 3jxi h ALA 364 N 1.46 0.49 -0.03 0.00 0.00 -1.00 0.16 119.26 120.34 3jxi h ALA 364 Ca 0.42 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 3jxi h ALA 364 Cb 0.32 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3jxi h ALA 364 CO -0.22 0.69 -0.39 -0.22 0.00 0.00 0.00 179.25 179.10 3jxi h LYS 365 N 0.57 0.07 -0.58 0.00 3.64 -0.85 -3.10 116.57 116.31 3jxi h LYS 365 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3jxi h LYS 365 Cb 1.20 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3jxi h LYS 365 CO 0.13 0.45 0.00 0.25 -2.27 0.00 0.00 179.45 178.01 3jxi n THR 366 N -4.06 1.22 -1.70 1.00 -2.24 -0.72 -4.99 114.28 102.79 3jxi n THR 366 Ca -0.02 -1.08 -0.09 0.00 -2.27 0.00 0.00 64.05 60.59 3jxi n THR 366 Cb 0.44 0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 69.04 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 1.11 0.57 3.05 3.38 0.00 -0.97 -4.92 105.19 107.41 3jxi n GLY 367 Ca 0.21 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 3jxi n GLY 367 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jxi n LYS 368 N -2.33 3.27 -0.16 1.61 4.76 0.53 -4.77 118.16 121.06 3jxi n LYS 368 Ca -0.10 -3.25 -0.02 0.00 -2.87 0.00 0.00 58.31 52.07 3jxi n LYS 368 Cb 0.43 -3.16 0.06 0.00 -1.84 0.00 0.00 35.03 30.53 3jxi n LYS 368 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3jxi h ILE 369 N 4.30 0.60 0.10 -0.18 2.04 -1.92 -1.72 117.51 120.74 3jxi h ILE 369 Ca 0.45 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 66.26 3jxi h ILE 369 Cb 0.72 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3jxi h ILE 369 CO 1.61 0.02 -0.05 1.23 0.00 0.00 0.00 178.15 180.97 3jxi h GLY 370 N 0.12 -0.14 1.23 5.37 0.00 -1.91 0.25 103.07 107.99 3jxi h GLY 370 Ca 0.26 0.05 -0.15 0.00 0.00 0.00 0.00 47.33 47.49 3jxi h GLY 370 CO -0.42 -0.05 -0.39 1.19 0.00 0.00 0.00 176.54 176.87 3jxi h ILE 371 N -0.22 1.28 0.02 2.60 6.09 -1.90 -2.52 117.51 122.87 3jxi h ILE 371 Ca -0.01 -1.56 0.01 0.00 -1.37 0.00 0.00 64.86 61.92 3jxi h ILE 371 Cb 0.18 1.41 -0.01 0.00 0.47 0.00 0.00 36.82 38.87 3jxi h ILE 371 CO 0.02 0.52 -0.05 0.15 -3.07 0.00 0.00 178.15 175.72 3jxi h PHE 372 N 0.69 -0.11 -0.37 2.19 3.57 -1.17 -1.15 116.94 120.60 3jxi h PHE 372 Ca 0.06 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 3jxi h PHE 372 Cb 0.96 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 3jxi h PHE 372 CO 0.06 -0.07 0.01 1.96 -2.23 0.00 0.00 178.31 178.03 3jxi h GLN 373 N -0.09 0.57 0.15 1.11 4.20 -0.96 -1.26 115.11 118.83 3jxi h GLN 373 Ca 0.01 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 3jxi h GLN 373 Cb 0.10 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3jxi h GLN 373 CO -0.03 0.59 -0.07 1.25 -0.67 0.00 0.00 178.83 179.89 3jxi h HIS 374 N 0.54 -0.19 -0.50 2.96 2.76 -0.98 -0.00 115.15 119.74 3jxi h HIS 374 Ca 0.12 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.32 3jxi h HIS 374 Cb 0.33 0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.32 3jxi h HIS 374 CO 0.01 -0.05 0.27 0.82 -1.30 0.00 0.00 177.93 177.68 3jxi h ILE 375 N -0.28 0.99 -0.48 6.26 2.04 -1.09 0.47 117.51 125.42 3jxi h ILE 375 Ca -0.02 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 3jxi h ILE 375 Cb 0.22 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 3jxi h ILE 375 CO 0.03 0.10 0.12 0.40 0.00 0.00 0.00 178.15 178.80 3jxi h ILE 376 N 0.54 1.24 -0.44 -0.67 1.08 -1.16 -1.94 117.51 116.15 3jxi h ILE 376 Ca 0.21 -0.82 -0.06 0.00 -0.39 0.00 0.00 64.86 63.80 3jxi h ILE 376 Cb 0.09 0.86 -0.02 0.00 -3.07 0.00 0.00 36.82 34.68 3jxi h ILE 376 CO -0.13 0.29 0.02 -0.09 -0.69 0.00 0.00 178.15 177.55 3jxi h ARG 377 N 0.64 0.71 -0.62 2.37 2.43 -0.78 -2.54 114.38 116.60 3jxi h ARG 377 Ca 0.15 -0.17 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 3jxi h ARG 377 Cb 0.32 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 3jxi h ARG 377 CO 0.00 0.71 0.05 -0.09 -1.51 0.00 0.00 179.97 179.13 3jxi h ARG 378 N 0.67 1.05 -0.28 0.20 2.43 -0.58 -2.52 114.38 115.35 3jxi h ARG 378 Ca 0.14 -0.30 -0.11 0.00 -0.81 0.00 0.00 59.98 58.90 3jxi h ARG 378 Cb 0.39 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3jxi h ARG 378 CO 0.01 1.00 -0.27 0.93 -1.51 0.00 0.00 179.97 180.13 3jxi h GLU 379 N 0.97 0.56 -0.57 0.20 5.08 -1.12 0.25 114.58 119.95 3jxi h GLU 379 Ca 0.18 -0.23 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 3jxi h GLU 379 Cb 0.49 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3jxi h GLU 379 CO 0.02 0.78 -0.01 0.82 -1.00 0.00 0.00 179.01 179.62 3jxi h ILE 380 N 0.49 1.26 0.09 3.13 2.04 -1.43 -1.01 117.51 122.09 3jxi h ILE 380 Ca 0.07 -1.13 -0.00 0.00 1.00 0.00 0.00 64.86 64.79 3jxi h ILE 380 Cb 0.73 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3jxi h ILE 380 CO 0.06 0.41 -0.05 0.00 0.00 0.00 0.00 178.15 178.57 3jxi h ALA 381 N 1.06 -0.13 0.00 1.87 0.00 -1.12 -0.96 119.26 119.98 3jxi h ALA 381 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3jxi h ALA 381 Cb 0.54 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3jxi h ALA 381 CO 0.03 -0.45 0.00 -0.25 0.00 0.00 0.00 179.25 178.58 3jxi n ASP 382 N -5.04 0.60 -0.01 0.00 9.92 0.05 -1.91 116.55 120.16 3jxi n ASP 382 Ca -0.08 0.62 -0.08 0.00 -0.53 0.00 0.00 54.79 54.72 3jxi n ASP 382 Cb 0.17 -0.76 -0.13 0.00 -0.64 0.00 0.00 41.12 39.76 3jxi n ASP 382 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3jxi h ALA 383 N 2.39 0.73 0.00 2.24 0.00 -1.15 -3.50 119.26 119.97 3jxi h ALA 383 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 54.91 53.55 3jxi h ALA 383 Cb 0.45 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3jxi h ALA 383 CO 0.00 1.50 0.00 0.00 0.00 0.00 0.00 179.25 180.75