#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jxi n LYS 133 N 0.00 0.00 -4.21 2.12 0.00 -1.26 -4.57 118.16 110.24 3jxi n LYS 133 Ca 0.00 0.78 -0.35 0.00 0.00 0.00 0.00 58.31 58.74 3jxi n LYS 133 Cb 0.00 -1.39 -0.09 0.00 0.00 0.00 0.00 35.03 33.55 3jxi n LYS 133 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3jxi s VAL 134 N -2.55 4.60 0.06 3.15 1.01 -1.26 -4.70 120.40 120.71 3jxi s VAL 134 Ca 0.00 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 61.92 3jxi s VAL 134 Cb 0.00 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 3jxi s VAL 134 CO 0.00 0.57 -0.13 -0.36 0.00 0.00 0.00 175.10 175.18 3jxi s PHE 135 N -0.56 2.70 0.31 5.22 0.08 -1.26 -5.10 117.98 119.37 3jxi s PHE 135 Ca 0.10 -0.17 0.05 0.00 0.12 0.00 0.00 56.93 57.03 3jxi s PHE 135 Cb -0.12 -1.48 -0.02 0.00 -0.57 0.00 0.00 43.02 40.83 3jxi s PHE 135 CO 0.02 0.35 0.19 0.27 -0.10 0.00 0.00 175.22 175.96 3jxi n ASN 136 N 1.21 0.14 0.09 1.36 2.04 -1.26 -5.05 115.26 113.79 3jxi n ASN 136 Ca -0.15 -2.87 -0.13 0.00 -0.44 0.00 0.00 54.58 50.98 3jxi n ASN 136 Cb 0.52 1.21 -0.08 0.00 -2.53 0.00 0.00 39.78 38.90 3jxi n ASN 136 CO 0.00 0.00 0.00 -0.09 -0.44 0.00 0.00 177.26 176.73 3jxi h ARG 137 N 0.00 -0.18 -0.63 -3.83 2.43 -1.96 -2.31 114.38 107.91 3jxi h ARG 137 Ca -0.23 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.08 3jxi h ARG 137 Cb 1.03 0.04 -0.11 0.00 -0.42 0.00 0.00 29.97 30.51 3jxi h ARG 137 CO 0.35 0.00 -0.07 -1.35 -1.51 0.00 0.00 179.97 177.39 3jxi h PRO 138 N -0.33 0.06 -0.14 0.20 0.11 -1.98 0.16 132.00 130.08 3jxi h PRO 138 Ca -0.02 -0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.87 3jxi h PRO 138 Cb 0.26 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.37 3jxi h PRO 138 CO 0.03 0.04 -0.76 -0.84 -0.21 0.00 0.00 178.00 176.25 3jxi h ILE 139 N 0.06 1.30 0.29 4.15 3.07 -1.97 -0.71 117.51 123.69 3jxi h ILE 139 Ca 0.32 -2.01 -0.01 0.00 1.55 0.00 0.00 64.86 64.70 3jxi h ILE 139 Cb 0.51 2.01 0.00 0.00 -0.27 0.00 0.00 36.82 39.07 3jxi h ILE 139 CO -0.59 0.63 -0.14 0.25 -1.05 0.00 0.00 178.15 177.25 3jxi h LEU 140 N 0.47 -0.32 -1.67 0.16 5.85 -1.04 -1.60 115.31 117.16 3jxi h LEU 140 Ca -0.05 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.66 3jxi h LEU 140 Cb 1.38 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.47 3jxi h LEU 140 CO 0.15 -0.13 0.32 -0.26 -0.34 0.00 0.00 178.44 178.19 3jxi h PHE 141 N -0.51 0.41 -0.34 1.25 -1.00 -0.75 -2.54 116.94 113.47 3jxi h PHE 141 Ca -0.04 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.72 3jxi h PHE 141 Cb 0.38 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.79 3jxi h PHE 141 CO -0.02 0.22 0.11 0.22 -1.61 0.00 0.00 178.31 177.23 3jxi h ASP 142 N 0.41 0.50 -0.25 2.17 3.58 -0.85 -1.85 116.42 120.13 3jxi h ASP 142 Ca 0.21 -0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 3jxi h ASP 142 Cb 0.30 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 3jxi h ASP 142 CO -0.05 0.57 0.04 0.40 -2.88 0.00 0.00 179.24 177.32 3jxi h ILE 143 N 0.40 1.23 0.00 2.25 2.04 -0.99 -2.37 117.51 120.07 3jxi h ILE 143 Ca 0.11 -0.77 -0.10 0.00 1.00 0.00 0.00 64.86 65.09 3jxi h ILE 143 Cb 0.25 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 3jxi h ILE 143 CO -0.00 0.25 -0.59 -0.37 0.00 0.00 0.00 178.15 177.43 3jxi h VAL 144 N 0.22 0.75 -0.21 1.67 -1.51 -1.52 0.29 116.25 115.93 3jxi h VAL 144 Ca 0.08 -2.10 -0.16 0.00 -1.23 0.00 0.00 66.70 63.29 3jxi h VAL 144 Cb 0.33 2.34 -0.01 0.00 -2.13 0.00 0.00 31.29 31.82 3jxi h VAL 144 CO 0.01 0.43 -0.52 0.28 -1.23 0.00 0.00 177.57 176.54 3jxi h SER 145 N 0.00 0.67 0.49 4.19 0.02 -1.33 -3.25 113.55 114.35 3jxi h SER 145 Ca -0.02 -0.35 -0.30 0.00 -0.84 0.00 0.00 61.79 60.28 3jxi h SER 145 Cb 1.38 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.73 3jxi h SER 145 CO 0.06 1.07 -1.42 0.03 -1.14 0.00 0.00 176.83 175.42 3jxi h ARG 146 N 0.48 0.30 -0.46 3.45 3.08 -1.39 -3.46 114.38 116.37 3jxi h ARG 146 Ca 0.02 -0.52 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3jxi h ARG 146 Cb 1.06 0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.31 3jxi h ARG 146 CO 0.10 1.21 0.00 0.41 -1.07 0.00 0.00 179.97 180.62 3jxi n GLY 147 N 1.63 1.00 3.48 0.04 0.00 0.98 -5.06 105.19 107.26 3jxi n GLY 147 Ca -0.14 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.56 4.94 0.42 1.61 0.15 -1.03 -4.38 113.70 112.86 3jxi s SER 148 Ca 0.00 -0.15 0.10 0.00 0.70 0.00 0.00 55.95 56.59 3jxi s SER 148 Cb 0.00 -1.84 0.93 0.00 -1.71 0.00 0.00 66.02 63.40 3jxi s SER 148 CO 0.00 0.09 2.04 -0.65 1.20 0.00 0.00 173.24 175.92 3jxi h PRO 149 N 7.30 0.47 -6.63 5.44 0.11 -1.87 -3.43 132.00 133.38 3jxi h PRO 149 Ca -0.35 -0.03 -0.58 0.00 0.11 0.00 0.00 66.00 65.15 3jxi h PRO 149 Cb 1.18 -0.11 0.09 0.00 0.11 0.00 0.00 31.00 32.27 3jxi h PRO 149 CO 0.62 0.31 0.59 -0.25 -0.21 0.00 0.00 178.00 179.07 3jxi n ASP 150 N -4.48 2.78 0.00 -2.05 8.00 -1.26 -0.15 116.55 119.39 3jxi n ASP 150 Ca 0.05 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.71 3jxi n ASP 150 Cb 0.16 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 39.81 3jxi n ASP 150 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jxi n GLY 151 N 1.80 3.09 0.19 0.44 0.00 -1.26 -4.90 105.19 104.55 3jxi n GLY 151 Ca 0.10 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.26 3jxi n GLY 151 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3jxi h LEU 152 N 0.00 0.00 -9.83 0.99 3.38 -0.85 -3.39 115.31 105.61 3jxi h LEU 152 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3jxi h LEU 152 Cb 0.00 0.00 0.08 0.00 0.09 0.00 0.00 40.66 40.83 3jxi h LEU 152 CO 0.00 0.00 0.79 -1.83 0.09 0.00 0.00 178.44 177.49 3jxi s GLU 153 N -3.41 4.19 0.00 1.13 1.03 -1.26 -1.54 118.70 118.83 3jxi s GLU 153 Ca 0.04 2.46 0.00 0.00 0.03 0.00 0.00 54.97 57.50 3jxi s GLU 153 Cb 0.09 -3.04 0.00 0.00 -0.80 0.00 0.00 34.13 30.38 3jxi s GLU 153 CO 0.49 -0.49 0.00 0.41 -1.33 0.00 0.00 175.26 174.34 3jxi n GLY 154 N 1.56 1.68 0.11 -3.83 0.00 -1.26 0.07 105.19 103.51 3jxi n GLY 154 Ca 0.05 0.00 -0.12 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 0.24 0.19 0.99 5.85 -1.54 0.12 115.31 121.16 3jxi h LEU 155 Ca 0.00 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 3jxi h LEU 155 Cb 0.00 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3jxi h LEU 155 CO 0.00 0.49 -0.09 0.25 -0.34 0.00 0.00 178.44 178.75 3jxi h LEU 156 N -0.02 -0.22 -0.65 2.25 5.85 -1.93 0.36 115.31 120.95 3jxi h LEU 156 Ca 0.04 -0.15 0.14 0.00 0.84 0.00 0.00 57.88 58.75 3jxi h LEU 156 Cb 0.37 0.06 -0.12 0.00 0.37 0.00 0.00 40.66 41.34 3jxi h LEU 156 CO 0.01 0.03 -0.04 0.28 -0.34 0.00 0.00 178.44 178.37 3jxi h SER 157 N -0.47 -0.38 -0.02 1.25 0.02 -1.96 0.30 113.55 112.28 3jxi h SER 157 Ca -0.03 0.17 0.03 0.00 -0.84 0.00 0.00 61.79 61.13 3jxi h SER 157 Cb 0.36 0.32 -0.05 0.00 0.14 0.00 0.00 62.40 63.18 3jxi h SER 157 CO 0.04 -0.16 -0.24 0.15 -1.14 0.00 0.00 176.83 175.48 3jxi h PHE 158 N 0.08 -0.64 -0.51 3.45 3.57 -0.45 0.30 116.94 122.73 3jxi h PHE 158 Ca 0.34 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.81 3jxi h PHE 158 Cb 0.55 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 3jxi h PHE 158 CO -0.42 -0.33 0.12 -0.07 -2.23 0.00 0.00 178.31 175.38 3jxi h LEU 159 N -0.37 0.79 -0.01 0.59 3.38 -0.43 0.29 115.31 119.55 3jxi h LEU 159 Ca 0.07 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3jxi h LEU 159 Cb 0.46 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3jxi h LEU 159 CO -0.23 0.82 0.00 -0.07 0.09 0.00 0.00 178.44 179.05 3jxi h LEU 160 N 0.72 0.01 -0.41 1.67 4.07 -0.37 0.26 115.31 121.26 3jxi h LEU 160 Ca 0.16 -0.10 -0.18 0.00 0.08 0.00 0.00 57.88 57.83 3jxi h LEU 160 Cb 0.35 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 3jxi h LEU 160 CO 0.00 0.11 -0.76 0.71 -1.08 0.00 0.00 178.44 177.43 3jxi h THR 161 N -0.09 1.41 -0.01 0.22 1.35 -0.87 -3.10 112.91 111.82 3jxi h THR 161 Ca 0.00 -2.26 0.00 0.00 -0.55 0.00 0.00 66.41 63.61 3jxi h THR 161 Cb 0.10 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3jxi h THR 161 CO -0.00 0.67 -0.06 1.41 -0.25 0.00 0.00 175.52 177.29 3jxi n HIS 162 N -3.79 0.00 -3.34 4.73 8.25 0.08 -4.97 115.22 116.18 3jxi n HIS 162 Ca -0.04 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.25 3jxi n HIS 162 Cb 0.72 -0.03 0.08 0.00 1.12 0.00 0.00 29.99 31.88 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 -0.01 -6.32 -4.41 -0.41 5.02 0.34 -5.01 118.16 107.36 3jxi n LYS 163 Ca 0.17 0.75 -0.21 0.00 -2.02 0.00 0.00 58.31 57.00 3jxi n LYS 163 Cb 0.36 -5.49 -0.10 0.00 -0.02 0.00 0.00 35.03 29.78 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 -5.56 1.51 0.14 1.97 1.02 0.65 -5.03 119.74 114.43 3jxi s LYS 164 Ca 0.20 -1.72 0.02 0.00 0.02 0.00 0.00 55.97 54.49 3jxi s LYS 164 Cb -0.09 -1.29 -0.04 0.00 -0.52 0.00 0.00 37.83 35.89 3jxi s LYS 164 CO 0.65 0.15 -0.04 1.03 -0.92 0.00 0.00 175.35 176.22 3jxi s ARG 165 N -3.65 1.00 0.09 1.68 0.52 -1.26 -4.50 118.95 112.83 3jxi s ARG 165 Ca 0.27 -1.45 0.23 0.00 -0.52 0.00 0.00 55.73 54.27 3jxi s ARG 165 Cb 0.00 -0.30 0.93 0.00 0.52 0.00 0.00 34.95 36.10 3jxi s ARG 165 CO 0.11 -0.06 1.73 1.28 0.02 0.00 0.00 175.30 178.38 3jxi n LEU 166 N -0.16 0.29 -0.23 2.53 4.77 -1.26 -1.38 117.00 121.56 3jxi n LEU 166 Ca -0.09 0.54 0.14 0.00 -0.03 0.00 0.00 56.01 56.57 3jxi n LEU 166 Cb 0.62 -0.48 0.59 0.00 -2.33 0.00 0.00 43.42 41.82 3jxi n LEU 166 CO 0.32 -0.20 0.86 0.35 -1.33 0.00 0.00 177.39 177.39 3jxi n THR 167 N -1.79 0.00 -2.27 -5.08 -2.24 -1.26 -4.68 114.28 96.96 3jxi n THR 167 Ca 0.05 -0.12 -0.38 0.00 -2.27 0.00 0.00 64.05 61.33 3jxi n THR 167 Cb 0.29 0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.62 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 -2.29 6.39 0.33 3.42 1.11 -0.48 -4.92 116.67 120.24 3jxi s ASP 168 Ca 0.33 2.34 0.08 0.00 0.18 0.00 0.00 52.55 55.48 3jxi s ASP 168 Cb 0.20 -2.61 0.79 0.00 1.07 0.00 0.00 42.92 42.37 3jxi s ASP 168 CO 0.43 -0.77 1.82 -0.08 1.18 0.00 0.00 175.17 177.76 3jxi h GLU 169 N 2.43 0.70 0.00 8.23 4.81 -1.91 0.72 114.58 129.56 3jxi h GLU 169 Ca -0.49 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3jxi h GLU 169 Cb 1.24 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3jxi h GLU 169 CO 0.62 0.47 0.00 -0.85 -0.73 0.00 0.00 179.01 178.51 3jxi n GLU 170 N -4.64 0.12 -0.41 1.92 0.28 -1.26 -0.96 120.64 115.69 3jxi n GLU 170 Ca 0.20 0.48 0.08 0.00 -0.16 0.00 0.00 57.16 57.77 3jxi n GLU 170 Cb 0.53 -1.79 0.24 0.00 1.43 0.00 0.00 31.44 31.86 3jxi n GLU 170 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3jxi n PHE 171 N -2.02 0.88 -4.85 -1.84 3.72 0.24 -3.90 117.46 109.69 3jxi n PHE 171 Ca 0.01 -0.81 -0.32 0.00 -0.05 0.00 0.00 57.45 56.28 3jxi n PHE 171 Cb 0.12 -0.27 -0.13 0.00 -0.94 0.00 0.00 39.48 38.26 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 -2.51 2.28 -0.02 -1.08 0.52 -0.13 -4.03 118.95 113.98 3jxi s ARG 172 Ca 0.39 -0.84 -0.30 0.00 -0.52 0.00 0.00 55.73 54.47 3jxi s ARG 172 Cb 0.31 -2.26 -0.06 0.00 0.52 0.00 0.00 34.95 33.45 3jxi s ARG 172 CO 0.10 0.58 1.67 -2.00 0.02 0.00 0.00 175.30 175.68 3jxi s GLU 173 N -1.00 4.18 0.52 3.54 2.12 -0.06 -4.92 118.70 123.08 3jxi s GLU 173 Ca 0.13 2.24 0.18 0.00 0.36 0.00 0.00 54.97 57.87 3jxi s GLU 173 Cb -0.10 -3.92 1.31 0.00 0.26 0.00 0.00 34.13 31.67 3jxi s GLU 173 CO 0.02 -0.83 2.14 -1.35 -0.54 0.00 0.00 175.26 174.70 3jxi h PRO 174 N 9.37 0.00 0.00 4.30 0.11 -1.90 0.28 132.00 144.15 3jxi h PRO 174 Ca -0.41 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.68 3jxi h PRO 174 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3jxi h PRO 174 CO 0.95 0.00 -0.11 0.66 -0.21 0.00 0.00 178.00 179.28 3jxi h SER 175 N 0.00 0.00 0.00 -2.05 4.64 -1.95 -3.39 113.55 110.80 3jxi h SER 175 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3jxi h SER 175 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3jxi h SER 175 CO -0.00 0.11 -0.55 0.35 -0.87 0.00 0.00 176.83 175.87 3jxi n THR 176 N -3.16 0.00 -0.26 2.95 -2.24 -1.11 -4.80 114.28 105.67 3jxi n THR 176 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3jxi n THR 176 Cb 0.50 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 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 2.25 0.74 3.68 3.38 0.00 0.96 -0.29 105.19 115.92 3jxi n GLY 177 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3jxi n GLY 177 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jxi n LYS 178 N -2.00 2.33 -1.91 1.61 5.02 -1.25 -4.58 118.16 117.38 3jxi n LYS 178 Ca 0.00 0.84 -0.30 0.00 -2.02 0.00 0.00 58.31 56.83 3jxi n LYS 178 Cb 0.00 -2.63 0.18 0.00 -0.02 0.00 0.00 35.03 32.56 3jxi n LYS 178 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3jxi s THR 179 N 1.00 1.99 -0.23 -0.18 -4.23 -1.26 -0.88 115.64 111.84 3jxi s THR 179 Ca 0.78 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 61.53 3jxi s THR 179 Cb -0.63 -2.98 0.25 0.00 1.34 0.00 0.00 72.50 70.47 3jxi s THR 179 CO 0.36 0.00 1.73 0.00 -0.54 0.00 0.00 174.62 176.17 3jxi h LEU 181 N 0.00 -0.08 -1.67 0.00 5.85 -1.93 -1.77 115.31 115.71 3jxi h LEU 181 Ca 0.00 -0.47 0.08 0.00 0.84 0.00 0.00 57.88 58.33 3jxi h LEU 181 Cb 0.14 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3jxi h LEU 181 CO 0.00 0.46 0.36 -0.65 -0.34 0.00 0.00 178.44 178.27 3jxi h PRO 182 N -0.64 0.38 -0.58 5.25 0.11 -1.94 -1.82 132.00 132.76 3jxi h PRO 182 Ca -0.01 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.03 3jxi h PRO 182 Cb 0.54 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 3jxi h PRO 182 CO 0.01 0.25 0.17 -0.22 -0.21 0.00 0.00 178.00 178.01 3jxi h LYS 183 N 0.39 0.91 -0.04 1.05 1.63 -1.56 -0.77 116.57 118.19 3jxi h LYS 183 Ca 0.24 -0.20 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 3jxi h LYS 183 Cb 0.45 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.95 3jxi h LYS 183 CO -0.06 0.82 0.02 0.00 -3.45 0.00 0.00 179.45 176.78 3jxi h ALA 184 N 1.05 0.05 0.00 5.00 0.00 -0.85 -3.21 119.26 121.29 3jxi h ALA 184 Ca 0.19 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3jxi h ALA 184 Cb 0.30 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3jxi h ALA 184 CO -0.00 -0.44 -0.24 -0.07 0.00 0.00 0.00 179.25 178.49 3jxi h LEU 185 N 0.02 0.00 -0.84 0.00 -0.00 -1.22 -1.42 115.31 111.85 3jxi h LEU 185 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 3jxi h LEU 185 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 3jxi h LEU 185 CO -0.00 0.24 0.00 0.18 -0.00 0.00 0.00 178.44 178.86 3jxi n LEU 186 N -3.82 1.12 -2.75 1.67 4.77 -0.30 -4.15 117.00 113.54 3jxi n LEU 186 Ca -0.02 -0.56 -0.09 0.00 -0.03 0.00 0.00 56.01 55.31 3jxi n LEU 186 Cb 0.34 -0.25 0.06 0.00 -2.33 0.00 0.00 43.42 41.24 3jxi n LEU 186 CO 0.34 0.23 0.17 0.59 -1.33 0.00 0.00 177.39 177.39 3jxi n ASN 187 N -0.03 -0.46 -4.83 -1.43 3.02 -0.54 -5.05 115.26 105.95 3jxi n ASN 187 Ca 0.05 -2.80 -0.34 0.00 -0.03 0.00 0.00 54.58 51.46 3jxi n ASN 187 Cb 0.22 0.40 -0.06 0.00 -0.61 0.00 0.00 39.78 39.73 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 -2.94 4.09 -0.08 3.41 1.43 -1.25 -4.75 118.68 118.60 3jxi s LEU 188 Ca 0.26 1.50 -0.00 0.00 -1.03 0.00 0.00 54.13 54.85 3jxi s LEU 188 Cb 0.40 -4.15 0.02 0.00 0.03 0.00 0.00 46.19 42.49 3jxi s LEU 188 CO -0.04 -0.21 -0.04 -0.55 0.23 0.00 0.00 176.35 175.74 3jxi s SER 189 N -2.08 1.73 -1.54 2.29 0.15 0.47 -4.71 113.70 110.01 3jxi s SER 189 Ca 0.55 -0.19 -0.11 0.00 0.70 0.00 0.00 55.95 56.90 3jxi s SER 189 Cb -0.12 -0.62 0.08 0.00 -1.71 0.00 0.00 66.02 63.66 3jxi s SER 189 CO 0.17 -0.13 0.80 0.00 1.20 0.00 0.00 173.24 175.29 3jxi n ALA 190 N 4.81 -1.49 -2.44 5.45 0.00 -1.26 -1.80 120.51 123.79 3jxi n ALA 190 Ca -0.13 0.02 -0.20 0.00 0.00 0.00 0.00 53.44 53.13 3jxi n ALA 190 Cb 0.50 -3.40 -0.00 0.00 0.00 0.00 0.00 19.45 16.54 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 -1.64 -0.43 3.03 0.00 0.00 -1.26 -4.99 105.19 99.89 3jxi n GLY 191 Ca -0.05 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.05 0.41 -0.29 1.61 1.81 -0.74 -4.96 118.95 111.74 3jxi s ARG 192 Ca 0.03 -0.68 0.01 0.00 -1.72 0.00 0.00 55.73 53.37 3jxi s ARG 192 Cb -0.01 0.15 0.15 0.00 -0.45 0.00 0.00 34.95 34.79 3jxi s ARG 192 CO 0.04 -0.08 0.35 1.21 -0.68 0.00 0.00 175.30 176.15 3jxi s ASN 193 N -1.74 1.03 0.00 0.23 3.84 -1.26 -0.40 114.94 116.65 3jxi s ASN 193 Ca -0.11 -0.60 0.16 0.00 0.21 0.00 0.00 52.86 52.52 3jxi s ASN 193 Cb -0.06 0.80 0.94 0.00 -0.55 0.00 0.00 41.25 42.38 3jxi s ASN 193 CO -0.02 -0.37 1.42 0.47 -2.79 0.00 0.00 177.10 175.80 3jxi n ASP 194 N 5.31 0.00 0.23 -4.21 10.43 -1.26 -1.61 116.55 125.44 3jxi n ASP 194 Ca -0.00 -0.94 0.14 0.00 2.57 0.00 0.00 54.79 56.56 3jxi n ASP 194 Cb 0.48 0.00 0.43 0.00 1.84 0.00 0.00 41.12 43.87 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 0.00 0.56 -3.53 1.35 -1.89 -3.39 112.91 106.01 3jxi h THR 195 Ca 0.00 -0.70 -0.03 0.00 -0.55 0.00 0.00 66.41 65.14 3jxi h THR 195 Cb 0.00 1.68 0.01 0.00 -1.73 0.00 0.00 68.15 68.10 3jxi h THR 195 CO 0.00 0.00 -0.27 0.40 -0.25 0.00 0.00 175.52 175.40 3jxi h ILE 196 N 0.00 0.39 0.00 6.82 2.04 -1.73 -0.62 117.51 124.41 3jxi h ILE 196 Ca 0.00 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 3jxi h ILE 196 Cb 0.73 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3jxi h ILE 196 CO 0.00 0.03 -0.09 1.55 0.00 0.00 0.00 178.15 179.64 3jxi h PRO 197 N -0.92 0.00 -0.29 2.37 0.13 -1.81 -1.46 132.00 130.03 3jxi h PRO 197 Ca -0.08 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.96 3jxi h PRO 197 Cb 0.63 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 3jxi h PRO 197 CO 0.13 0.09 -0.18 0.82 -0.23 0.00 0.00 178.00 178.63 3jxi h ILE 198 N 0.00 1.30 -0.28 -3.56 2.04 -1.74 0.20 117.51 115.47 3jxi h ILE 198 Ca -0.00 -1.30 0.03 0.00 1.00 0.00 0.00 64.86 64.58 3jxi h ILE 198 Cb 0.16 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 3jxi h ILE 198 CO 0.01 0.41 0.11 -0.07 0.00 0.00 0.00 178.15 178.62 3jxi h LEU 199 N 0.38 0.14 -0.54 1.44 3.38 -0.53 0.20 115.31 119.78 3jxi h LEU 199 Ca 0.06 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3jxi h LEU 199 Cb 0.72 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3jxi h LEU 199 CO 0.05 0.12 0.11 -0.07 0.09 0.00 0.00 178.44 178.74 3jxi h LEU 200 N 0.25 0.83 -0.60 1.67 3.38 -1.24 0.36 115.31 119.96 3jxi h LEU 200 Ca 0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3jxi h LEU 200 Cb 0.07 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3jxi h LEU 200 CO -0.11 0.86 0.35 -0.78 0.09 0.00 0.00 178.44 178.85 3jxi h ASP 201 N 0.77 0.72 -0.70 -0.43 3.58 -0.78 0.21 116.42 119.80 3jxi h ASP 201 Ca 0.17 -0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.51 3jxi h ASP 201 Cb 0.37 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.20 3jxi h ASP 201 CO 0.01 0.58 0.28 0.40 -2.88 0.00 0.00 179.24 177.63 3jxi h ILE 202 N 0.80 1.24 -0.63 2.25 2.04 -0.37 -1.67 117.51 121.17 3jxi h ILE 202 Ca 0.21 -0.76 -0.06 0.00 1.00 0.00 0.00 64.86 65.25 3jxi h ILE 202 Cb 0.00 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 3jxi h ILE 202 CO -0.04 0.31 0.16 0.00 0.00 0.00 0.00 178.15 178.58 3jxi h ALA 203 N 1.13 1.10 0.31 1.87 0.00 -0.48 -1.62 119.26 121.56 3jxi h ALA 203 Ca 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3jxi h ALA 203 Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3jxi h ALA 203 CO -0.02 0.60 -0.22 1.49 0.00 0.00 0.00 179.25 181.10 3jxi h GLU 204 N 0.94 -0.51 0.00 0.00 4.81 -0.40 -0.37 114.58 119.05 3jxi h GLU 204 Ca 0.20 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 3jxi h GLU 204 Cb 0.32 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 3jxi h GLU 204 CO -0.00 -0.34 -0.03 0.87 -0.73 0.00 0.00 179.01 178.77 3jxi h LYS 205 N -0.53 0.00 -0.01 1.92 1.57 -0.91 -1.09 116.57 117.52 3jxi h LYS 205 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3jxi h LYS 205 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3jxi h LYS 205 CO 0.01 0.03 -0.28 -2.37 -0.57 0.00 0.00 179.45 176.27 3jxi n THR 206 N -3.49 0.00 -0.42 -0.16 5.66 -0.65 -4.95 114.28 110.27 3jxi n THR 206 Ca -0.02 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.77 3jxi n THR 206 Cb 0.14 0.76 0.00 0.00 -1.55 0.00 0.00 70.33 69.68 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 1.35 1.28 0.00 1.09 0.00 -0.41 -4.98 105.19 103.51 3jxi n GLY 207 Ca 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.53 0.00 0.07 1.61 5.15 -0.20 -4.97 115.26 117.45 3jxi n ASN 208 Ca 0.00 -1.00 -0.13 0.00 -0.60 0.00 0.00 54.58 52.85 3jxi n ASN 208 Cb 0.08 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.25 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 -0.09 -0.47 1.20 4.05 -1.78 -1.08 114.93 116.77 3jxi h MET 209 Ca 0.00 0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.34 3jxi h MET 209 Cb 0.74 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.54 3jxi h MET 209 CO 0.00 -0.00 -0.06 0.00 0.23 0.00 0.00 176.91 177.08 3jxi h ARG 210 N -0.15 0.86 -0.44 0.39 3.08 -1.90 0.24 114.38 116.47 3jxi h ARG 210 Ca -0.01 -0.30 0.04 0.00 0.07 0.00 0.00 59.98 59.77 3jxi h ARG 210 Cb 0.12 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 3jxi h ARG 210 CO 0.02 0.94 0.21 1.49 -1.07 0.00 0.00 179.97 181.56 3jxi h GLU 211 N 0.71 0.42 -0.13 0.04 4.81 -1.92 -1.33 114.58 117.17 3jxi h GLU 211 Ca 0.12 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3jxi h GLU 211 Cb 0.59 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3jxi h GLU 211 CO 0.04 0.28 0.08 0.35 -0.73 0.00 0.00 179.01 179.02 3jxi h PHE 212 N 0.43 0.17 -0.87 0.92 3.04 -0.92 0.40 116.94 120.12 3jxi h PHE 212 Ca 0.19 0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.17 3jxi h PHE 212 Cb 0.10 -0.06 -0.05 0.00 2.56 0.00 0.00 35.95 38.51 3jxi h PHE 212 CO -0.11 0.15 0.56 0.82 -2.02 0.00 0.00 178.31 177.71 3jxi h ILE 213 N 0.15 1.15 -0.32 1.41 2.04 -0.37 -3.05 117.51 118.52 3jxi h ILE 213 Ca 0.05 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3jxi h ILE 213 Cb 0.02 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.06 3jxi h ILE 213 CO -0.01 0.20 0.00 0.59 0.00 0.00 0.00 178.15 178.93 3jxi n ASN 214 N -4.54 2.98 -4.69 1.72 3.02 -0.52 -4.07 115.26 109.16 3jxi n ASN 214 Ca 0.11 -1.93 -0.42 0.00 -0.03 0.00 0.00 54.58 52.31 3jxi n ASN 214 Cb 0.09 -0.20 -0.03 0.00 -0.61 0.00 0.00 39.78 39.02 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 -1.53 6.43 0.26 6.41 0.15 0.12 -4.94 113.70 120.61 3jxi s SER 215 Ca 0.37 2.75 -0.09 0.00 0.70 0.00 0.00 55.95 59.67 3jxi s SER 215 Cb 0.21 -2.57 -0.07 0.00 -1.71 0.00 0.00 66.02 61.88 3jxi s SER 215 CO 0.30 -0.99 0.59 -2.16 1.20 0.00 0.00 173.24 172.18 3jxi s PRO 216 N 2.57 3.79 0.27 5.44 0.04 -1.26 -4.62 135.00 141.23 3jxi s PRO 216 Ca 0.80 0.28 0.05 0.00 0.04 0.00 0.00 61.00 62.17 3jxi s PRO 216 Cb -0.46 -2.60 -0.06 0.00 0.04 0.00 0.00 34.50 31.42 3jxi s PRO 216 CO 0.36 0.26 -0.03 -0.59 0.04 0.00 0.00 177.00 177.03 3jxi s PHE 217 N -1.92 1.85 0.04 0.56 -0.71 -0.74 -4.65 117.98 112.40 3jxi s PHE 217 Ca 0.48 -0.79 0.02 0.00 -1.04 0.00 0.00 56.93 55.59 3jxi s PHE 217 Cb -0.11 -1.09 -0.02 0.00 -1.21 0.00 0.00 43.02 40.59 3jxi s PHE 217 CO 0.23 0.16 -0.07 -0.98 -1.34 0.00 0.00 175.22 173.22 3jxi s ARG 218 N -3.79 0.49 0.00 1.99 1.70 0.60 -2.37 118.95 117.58 3jxi s ARG 218 Ca 0.30 -0.74 0.00 0.00 -0.47 0.00 0.00 55.73 54.82 3jxi s ARG 218 Cb 0.05 -0.22 0.00 0.00 -0.57 0.00 0.00 34.95 34.21 3jxi s ARG 218 CO 0.11 0.03 0.00 -0.40 -1.08 0.00 0.00 175.30 173.97 3jxi n ASP 219 N 1.47 0.65 0.05 -2.89 3.85 -0.23 -4.12 116.55 115.34 3jxi n ASP 219 Ca -0.23 -0.81 0.08 0.00 -0.71 0.00 0.00 54.79 53.12 3jxi n ASP 219 Cb 0.55 0.00 0.35 0.00 -1.35 0.00 0.00 41.12 40.66 3jxi n ASP 219 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 3jxi n VAL 220 N 0.00 1.09 -0.12 2.12 3.14 -1.26 -3.76 118.33 119.54 3jxi n VAL 220 Ca 0.00 0.32 -0.21 0.00 -2.96 0.00 0.00 64.34 61.49 3jxi n VAL 220 Cb 0.00 -1.18 -0.07 0.00 -1.06 0.00 0.00 33.84 31.53 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 -1.79 0.17 -4.22 1.45 4.01 -1.26 -4.58 117.16 110.94 3jxi n TYR 221 Ca 0.02 0.07 -0.16 0.00 -0.16 0.00 0.00 57.90 57.68 3jxi n TYR 221 Cb 0.15 -0.83 -0.11 0.00 -0.31 0.00 0.00 39.34 38.24 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 -2.61 1.26 0.26 -0.72 2.02 -1.25 -1.99 117.35 114.32 3jxi s TYR 222 Ca -0.33 -0.64 0.11 0.00 -0.37 0.00 0.00 57.07 55.84 3jxi s TYR 222 Cb 0.10 -0.66 -0.05 0.00 -0.40 0.00 0.00 41.96 40.95 3jxi s TYR 222 CO 0.46 0.08 -0.19 -0.98 -1.57 0.00 0.00 175.55 173.36 3jxi s ARG 223 N -2.99 1.59 0.00 -0.62 1.70 0.70 -1.07 118.95 118.26 3jxi s ARG 223 Ca 0.10 -1.71 0.00 0.00 -0.47 0.00 0.00 55.73 53.65 3jxi s ARG 223 Cb -0.02 -1.63 0.00 0.00 -0.57 0.00 0.00 34.95 32.72 3jxi s ARG 223 CO 0.01 0.30 0.00 0.41 -1.08 0.00 0.00 175.30 174.95 3jxi n GLY 224 N -0.50 0.62 3.77 3.88 0.00 -1.09 -0.97 105.19 110.90 3jxi n GLY 224 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.24 2.72 0.09 1.61 -0.21 -1.00 -4.25 119.66 118.39 3jxi s GLN 225 Ca 0.00 1.39 -0.04 0.00 0.02 0.00 0.00 55.36 56.73 3jxi s GLN 225 Cb 0.00 -1.94 -0.03 0.00 1.00 0.00 0.00 33.01 32.04 3jxi s GLN 225 CO 0.00 -1.31 0.09 0.95 -2.12 0.00 0.00 175.29 172.89 3jxi s THR 226 N -2.37 0.15 0.33 -0.19 -4.23 -1.26 -1.79 115.64 106.28 3jxi s THR 226 Ca 0.67 -1.62 0.11 0.00 -1.18 0.00 0.00 61.69 59.67 3jxi s THR 226 Cb -0.21 -1.63 0.37 0.00 1.34 0.00 0.00 72.50 72.37 3jxi s THR 226 CO 0.43 -0.70 1.52 0.00 -0.54 0.00 0.00 174.62 175.33 3jxi n ALA 227 N -0.02 0.75 -0.25 3.99 0.00 -1.26 -1.06 120.51 122.66 3jxi n ALA 227 Ca -0.11 1.01 -0.05 0.00 0.00 0.00 0.00 53.44 54.28 3jxi n ALA 227 Cb 0.62 -0.87 0.06 0.00 0.00 0.00 0.00 19.45 19.25 3jxi n ALA 227 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3jxi h LEU 228 N 0.00 0.82 -0.94 0.00 5.85 -1.95 -0.35 115.31 118.73 3jxi h LEU 228 Ca 0.71 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.40 3jxi h LEU 228 Cb 1.70 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.48 3jxi h LEU 228 CO -0.82 0.59 0.59 0.45 -0.34 0.00 0.00 178.44 178.91 3jxi h HIS 229 N 0.96 1.21 -0.12 1.25 3.86 -1.50 -2.06 115.15 118.75 3jxi h HIS 229 Ca 0.26 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.46 3jxi h HIS 229 Cb -0.11 -0.40 -0.00 0.00 1.06 0.00 0.00 27.41 27.96 3jxi h HIS 229 CO -0.02 0.78 0.01 0.82 0.86 0.00 0.00 177.93 180.38 3jxi h ILE 230 N 1.28 1.24 -0.72 2.45 2.04 -1.17 -1.25 117.51 121.39 3jxi h ILE 230 Ca 0.34 -0.77 0.15 0.00 1.00 0.00 0.00 64.86 65.57 3jxi h ILE 230 Cb -0.10 1.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 3jxi h ILE 230 CO -0.07 0.22 0.49 0.00 0.00 0.00 0.00 178.15 178.79 3jxi h ALA 231 N 0.76 2.17 0.03 1.87 0.00 -0.91 0.10 119.26 123.28 3jxi h ALA 231 Ca 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3jxi h ALA 231 Cb 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3jxi h ALA 231 CO 0.00 -0.36 -0.02 0.82 0.00 0.00 0.00 179.25 179.70 3jxi h ILE 232 N 0.36 1.40 -0.47 0.00 2.04 -1.26 -0.85 117.51 118.72 3jxi h ILE 232 Ca 0.35 -1.68 -0.01 0.00 1.00 0.00 0.00 64.86 64.52 3jxi h ILE 232 Cb 0.87 2.47 -0.02 0.00 -0.74 0.00 0.00 36.82 39.39 3jxi h ILE 232 CO -0.10 0.41 0.24 -0.08 0.00 0.00 0.00 178.15 178.62 3jxi h GLU 233 N -0.82 0.65 0.00 2.37 4.22 -0.80 0.14 114.58 120.34 3jxi h GLU 233 Ca -0.00 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.37 3jxi h GLU 233 Cb 0.70 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3jxi h GLU 233 CO 0.01 0.49 0.00 0.54 -2.18 0.00 0.00 179.01 177.87 3jxi n ARG 234 N -4.40 0.93 -3.52 1.92 5.12 -0.02 -4.90 116.66 111.79 3jxi n ARG 234 Ca 0.04 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.75 3jxi n ARG 234 Cb 0.11 -1.27 0.08 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 -0.77 -7.14 -3.85 5.56 1.74 0.49 -4.96 116.66 107.73 3jxi n ARG 235 Ca 0.12 0.83 -0.28 0.00 -0.77 0.00 0.00 57.85 57.75 3jxi n ARG 235 Cb 0.05 -5.85 -0.12 0.00 -1.02 0.00 0.00 32.46 25.52 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 5.66 0.66 -0.53 0.00 3.64 -1.93 -2.23 116.57 121.85 3jxi h LYS 237 Ca 0.11 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.51 3jxi h LYS 237 Cb 0.80 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.41 3jxi h LYS 237 CO 0.67 0.44 0.23 1.25 -2.27 0.00 0.00 179.45 179.77 3jxi h HIS 238 N 0.68 0.41 0.00 1.91 2.76 -1.94 0.24 115.15 119.21 3jxi h HIS 238 Ca 0.48 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.56 3jxi h HIS 238 Cb 0.82 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.66 3jxi h HIS 238 CO -0.00 0.16 -0.55 1.88 -1.30 0.00 0.00 177.93 178.12 3jxi h TYR 239 N 0.44 0.00 0.49 5.26 0.99 -1.79 -1.47 116.97 120.88 3jxi h TYR 239 Ca 0.25 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.96 3jxi h TYR 239 Cb 0.22 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 37.95 3jxi h TYR 239 CO -0.13 0.54 -0.27 0.28 -0.00 0.00 0.00 178.16 178.58 3jxi h VAL 240 N 0.00 0.45 -0.02 -2.88 2.07 -0.84 -0.55 116.25 114.49 3jxi h VAL 240 Ca -0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 3jxi h VAL 240 Cb 1.42 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 3jxi h VAL 240 CO 0.07 0.00 -0.41 -0.33 0.02 0.00 0.00 177.57 176.92 3jxi h GLU 241 N -0.70 -0.53 -0.47 1.57 5.08 -0.50 -0.69 114.58 118.34 3jxi h GLU 241 Ca -0.06 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.43 3jxi h GLU 241 Cb 0.56 0.12 -0.09 0.00 0.50 0.00 0.00 28.75 29.84 3jxi h GLU 241 CO 0.08 -0.35 -0.07 1.25 -1.00 0.00 0.00 179.01 178.92 3jxi h LEU 242 N -0.55 -0.35 -0.55 1.33 5.85 -1.24 0.44 115.31 120.24 3jxi h LEU 242 Ca 0.05 0.13 -0.13 0.00 0.84 0.00 0.00 57.88 58.78 3jxi h LEU 242 Cb 0.64 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 3jxi h LEU 242 CO -0.32 -0.12 -0.19 -0.07 -0.34 0.00 0.00 178.44 177.39 3jxi h LEU 243 N 0.04 0.99 -0.25 2.25 3.38 -0.80 -1.98 115.31 118.94 3jxi h LEU 243 Ca 0.23 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3jxi h LEU 243 Cb 0.35 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3jxi h LEU 243 CO -0.45 1.14 0.04 0.58 0.09 0.00 0.00 178.44 179.85 3jxi h VAL 244 N 0.84 1.23 -0.96 1.22 2.07 -0.81 0.56 116.25 120.40 3jxi h VAL 244 Ca 0.12 -0.75 0.21 0.00 0.82 0.00 0.00 66.70 67.09 3jxi h VAL 244 Cb 0.76 1.25 -0.08 0.00 -1.52 0.00 0.00 31.29 31.69 3jxi h VAL 244 CO 0.06 0.24 0.62 -0.33 0.02 0.00 0.00 177.57 178.18 3jxi h GLU 245 N 0.22 0.48 -0.39 1.57 5.08 -0.75 -2.08 114.58 118.71 3jxi h GLU 245 Ca 0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3jxi h GLU 245 Cb 0.32 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3jxi h GLU 245 CO 0.00 0.32 0.00 1.63 -1.00 0.00 0.00 179.01 179.96 3jxi n LYS 246 N -4.59 2.43 0.00 2.33 5.02 -0.76 -4.94 118.16 117.65 3jxi n LYS 246 Ca 0.21 -2.17 0.00 0.00 -2.02 0.00 0.00 58.31 54.34 3jxi n LYS 246 Cb 0.70 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 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 1.47 1.68 3.77 0.72 0.00 -0.78 -4.58 105.19 107.48 3jxi n GLY 247 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3jxi n GLY 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jxi s ALA 248 N -2.00 3.44 -0.44 4.61 0.00 0.15 -4.88 121.76 122.64 3jxi s ALA 248 Ca 0.00 1.42 -0.29 0.00 0.00 0.00 0.00 51.96 53.09 3jxi s ALA 248 Cb 0.00 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.59 3jxi s ALA 248 CO 0.00 -0.95 1.24 0.34 0.00 0.00 0.00 175.76 176.39 3jxi s ASP 249 N -0.40 6.54 0.00 0.00 2.15 -1.26 -4.76 116.67 118.94 3jxi s ASP 249 Ca 0.54 0.64 0.29 0.00 0.43 0.00 0.00 52.55 54.45 3jxi s ASP 249 Cb -0.43 -2.55 1.57 0.00 -0.30 0.00 0.00 42.92 41.21 3jxi s ASP 249 CO 0.57 -1.30 2.03 1.33 -0.17 0.00 0.00 175.17 177.63 3jxi n VAL 250 N 6.87 0.04 -1.07 1.11 0.24 -1.26 -2.57 118.33 121.69 3jxi n VAL 250 Ca 0.14 0.01 0.08 0.00 -2.04 0.00 0.00 64.34 62.53 3jxi n VAL 250 Cb 0.48 -0.54 0.12 0.00 -1.47 0.00 0.00 33.84 32.43 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 -1.18 0.00 -1.73 6.34 8.25 -1.26 -4.13 115.22 121.51 3jxi n HIS 251 Ca 0.17 -0.87 -0.42 0.00 -0.26 0.00 0.00 57.72 56.34 3jxi n HIS 251 Cb 0.18 -0.13 -0.02 0.00 1.12 0.00 0.00 29.99 31.13 3jxi n HIS 251 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3jxi n ALA 252 N -1.24 2.76 -2.94 -1.41 0.00 -1.06 -4.88 120.51 111.74 3jxi n ALA 252 Ca 0.13 0.39 -0.37 0.00 0.00 0.00 0.00 53.44 53.60 3jxi n ALA 252 Cb 0.62 -2.50 -0.12 0.00 0.00 0.00 0.00 19.45 17.44 3jxi n ALA 252 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3jxi s GLN 253 N 0.40 3.75 -0.64 0.00 -0.21 -1.26 -4.10 119.66 117.60 3jxi s GLN 253 Ca 0.70 -0.43 -0.21 0.00 0.02 0.00 0.00 55.36 55.44 3jxi s GLN 253 Cb -0.50 -3.38 0.09 0.00 1.00 0.00 0.00 33.01 30.23 3jxi s GLN 253 CO 0.40 -0.13 0.87 0.00 -2.12 0.00 0.00 175.29 174.30 3jxi s ALA 254 N 1.50 3.24 -0.08 6.09 0.00 -0.53 -4.43 121.76 127.55 3jxi s ALA 254 Ca 0.06 -2.04 -0.14 0.00 0.00 0.00 0.00 51.96 49.84 3jxi s ALA 254 Cb -0.15 -3.74 -0.05 0.00 0.00 0.00 0.00 23.12 19.18 3jxi s ALA 254 CO 0.05 -2.62 0.35 1.03 0.00 0.00 0.00 175.76 174.57 3jxi s ARG 255 N 3.46 4.03 0.56 0.00 0.52 -0.14 -4.30 118.95 123.07 3jxi s ARG 255 Ca 0.18 0.25 -0.18 0.00 -0.52 0.00 0.00 55.73 55.46 3jxi s ARG 255 Cb -0.19 -3.31 -0.05 0.00 0.52 0.00 0.00 34.95 31.91 3jxi s ARG 255 CO 0.08 0.48 1.09 0.20 0.02 0.00 0.00 175.30 177.17 3jxi s GLY 256 N -0.34 2.43 -0.19 -3.53 0.00 -1.26 -0.21 107.32 104.22 3jxi s GLY 256 Ca 0.21 0.65 -0.19 0.00 0.00 0.00 0.00 44.72 45.39 3jxi s GLY 256 CO 0.09 0.99 0.23 0.54 0.00 0.00 0.00 173.10 174.95 3jxi n ARG 257 N -1.54 0.60 0.00 2.90 5.12 -0.84 -4.82 116.66 118.07 3jxi n ARG 257 Ca 0.10 0.51 0.00 0.00 -1.93 0.00 0.00 57.85 56.54 3jxi n ARG 257 Cb 0.52 -1.73 0.00 0.00 -1.16 0.00 0.00 32.46 30.08 3jxi n ARG 257 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 3jxi n PHE 258 N -4.25 0.00 0.00 -1.55 3.72 -1.26 -5.11 117.46 109.01 3jxi n PHE 258 Ca -0.33 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.07 3jxi n PHE 258 Cb 0.75 0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.35 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 -2.87 0.00 -3.23 1.38 0.18 -1.26 -5.19 117.16 106.17 3jxi n TYR 267 Ca 0.00 0.00 -0.44 0.00 1.88 0.00 0.00 57.90 59.34 3jxi n TYR 267 Cb 0.43 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.32 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 -2.86 3.11 -0.19 -3.48 5.36 -1.26 -5.07 117.98 113.60 3jxi s PHE 268 Ca 0.00 -0.56 -0.23 0.00 -0.96 0.00 0.00 56.93 55.18 3jxi s PHE 268 Cb 0.00 -3.32 -0.02 0.00 -0.34 0.00 0.00 43.02 39.34 3jxi s PHE 268 CO 0.00 -0.91 0.75 -0.47 -1.46 0.00 0.00 175.22 173.13 3jxi s TYR 269 N 2.34 3.38 -0.09 10.12 6.14 -1.26 -4.93 117.35 133.06 3jxi s TYR 269 Ca 0.13 1.09 0.13 0.00 0.64 0.00 0.00 57.07 59.06 3jxi s TYR 269 Cb -0.19 -2.93 0.23 0.00 0.42 0.00 0.00 41.96 39.49 3jxi s TYR 269 CO 0.12 -0.24 1.12 1.97 0.64 0.00 0.00 175.55 179.15 3jxi n PHE 270 N 5.30 0.00 -0.83 4.97 1.16 -1.26 -4.59 117.46 122.22 3jxi n PHE 270 Ca 0.02 -0.71 0.00 0.00 -1.87 0.00 0.00 57.45 54.89 3jxi n PHE 270 Cb 0.49 -0.13 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 -0.75 0.53 4.79 4.97 0.00 -1.26 -3.26 105.19 110.21 3jxi n GLY 271 Ca 0.10 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.83 0.00 -3.12 1.61 1.02 -1.26 -4.65 120.64 111.42 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 -0.12 -0.05 0.00 -0.02 0.00 0.00 31.44 31.25 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 4.00 0.30 -4.62 1.43 -1.26 -1.45 118.68 117.08 3jxi s LEU 273 Ca 0.00 1.11 0.01 0.00 -1.03 0.00 0.00 54.13 54.22 3jxi s LEU 273 Cb 0.00 -3.93 0.55 0.00 0.03 0.00 0.00 46.19 42.84 3jxi s LEU 273 CO 0.00 -0.24 1.87 -0.65 0.23 0.00 0.00 176.35 177.56 3jxi h PRO 274 N 1.92 0.98 -0.39 1.29 0.11 -1.72 -0.21 132.00 133.98 3jxi h PRO 274 Ca -0.47 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.46 3jxi h PRO 274 Cb 1.18 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3jxi h PRO 274 CO 0.66 0.65 -0.24 1.25 -0.21 0.00 0.00 178.00 180.10 3jxi h LEU 275 N 1.01 0.81 -0.76 2.35 5.85 -1.95 -1.56 115.31 121.06 3jxi h LEU 275 Ca 0.44 -0.30 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 3jxi h LEU 275 Cb 0.36 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3jxi h LEU 275 CO -0.20 1.02 -0.10 0.28 -0.34 0.00 0.00 178.44 179.10 3jxi h SER 276 N 0.69 0.82 -0.28 1.25 0.02 -1.62 -1.78 113.55 112.65 3jxi h SER 276 Ca 0.09 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 3jxi h SER 276 Cb 0.77 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 3jxi h SER 276 CO 0.06 0.95 0.13 0.25 -1.14 0.00 0.00 176.83 177.08 3jxi h LEU 277 N 0.75 0.38 -0.81 5.07 5.85 -0.94 -1.10 115.31 124.51 3jxi h LEU 277 Ca 0.13 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3jxi h LEU 277 Cb 0.60 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 3jxi h LEU 277 CO 0.04 0.41 0.53 0.00 -0.34 0.00 0.00 178.44 179.08 3jxi h ALA 278 N 0.98 1.03 -0.36 1.25 0.00 -1.11 -1.27 119.26 119.79 3jxi h ALA 278 Ca 0.10 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3jxi h ALA 278 Cb 0.14 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3jxi h ALA 278 CO -0.01 0.46 -0.17 0.00 0.00 0.00 0.00 179.25 179.54 3jxi h ALA 279 N 1.29 0.50 0.00 0.00 0.00 -1.33 -0.91 119.26 118.82 3jxi h ALA 279 Ca 0.30 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3jxi h ALA 279 Cb -0.10 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3jxi h ALA 279 CO -0.06 0.43 -0.02 0.00 0.00 0.00 0.00 179.25 179.59 3jxi n THR 281 N -3.11 1.50 -2.88 0.00 -2.24 -0.50 -5.00 114.28 102.03 3jxi n THR 281 Ca 0.02 -1.21 -0.12 0.00 -2.27 0.00 0.00 64.05 60.47 3jxi n THR 281 Cb 0.39 0.25 0.06 0.00 -2.10 0.00 0.00 70.33 68.93 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 0.76 -4.06 -3.36 3.42 4.05 -1.00 -5.00 115.26 110.07 3jxi n ASN 282 Ca 0.20 -0.49 -0.26 0.00 0.45 0.00 0.00 54.58 54.48 3jxi n ASN 282 Cb 0.69 -3.92 -0.08 0.00 1.23 0.00 0.00 39.78 37.71 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 -2.97 1.98 -0.35 1.20 6.02 -0.36 -4.97 117.38 117.92 3jxi n GLN 283 Ca -0.11 -4.24 0.07 0.00 -0.01 0.00 0.00 57.00 52.71 3jxi n GLN 283 Cb 0.60 -1.95 0.25 0.00 1.02 0.00 0.00 30.24 30.16 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 4.15 0.95 -0.05 -1.09 0.13 -1.94 -0.65 132.00 133.51 3jxi h PRO 284 Ca 0.16 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 65.20 3jxi h PRO 284 Cb 0.73 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 3jxi h PRO 284 CO 0.72 0.63 -0.14 0.45 -0.23 0.00 0.00 178.00 179.44 3jxi h HIS 285 N 0.98 0.07 0.07 1.56 3.86 -1.97 0.19 115.15 119.91 3jxi h HIS 285 Ca 0.49 -0.01 -0.26 0.00 -1.16 0.00 0.00 60.37 59.44 3jxi h HIS 285 Cb 0.49 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 3jxi h HIS 285 CO -0.00 0.21 -1.22 0.82 0.86 0.00 0.00 177.93 178.60 3jxi h ILE 286 N 0.07 1.50 -0.68 2.45 2.04 -1.55 -1.52 117.51 119.82 3jxi h ILE 286 Ca 0.01 -3.14 -0.01 0.00 1.00 0.00 0.00 64.86 62.72 3jxi h ILE 286 Cb 0.29 2.86 -0.03 0.00 -0.74 0.00 0.00 36.82 39.19 3jxi h ILE 286 CO 0.02 0.89 0.37 0.58 0.00 0.00 0.00 178.15 180.01 3jxi h VAL 287 N 0.04 1.21 -0.09 1.67 2.07 -0.97 -1.01 116.25 119.17 3jxi h VAL 287 Ca -0.11 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 3jxi h VAL 287 Cb 1.91 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3jxi h VAL 287 CO 0.16 0.24 0.05 0.45 0.02 0.00 0.00 177.57 178.49 3jxi h HIS 288 N 0.93 0.13 -0.77 1.57 3.86 -0.61 -2.70 115.15 117.56 3jxi h HIS 288 Ca 0.24 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.45 3jxi h HIS 288 Cb 0.05 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 28.44 3jxi h HIS 288 CO -0.00 0.18 0.51 -0.92 0.86 0.00 0.00 177.93 178.55 3jxi h TYR 289 N 0.04 0.96 0.00 2.45 3.20 -1.14 0.91 116.97 123.39 3jxi h TYR 289 Ca 0.03 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 3jxi h TYR 289 Cb 0.09 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 3jxi h TYR 289 CO -0.04 0.60 -0.38 -0.07 -1.64 0.00 0.00 178.16 176.64 3jxi h LEU 290 N 1.04 0.00 0.00 2.82 3.38 -1.11 -1.06 115.31 120.38 3jxi h LEU 290 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3jxi h LEU 290 Cb -0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3jxi h LEU 290 CO -0.06 0.38 -1.36 0.35 0.09 0.00 0.00 178.44 177.83 3jxi n THR 291 N -3.69 0.10 -0.01 0.22 -2.24 -1.03 0.60 114.28 108.23 3jxi n THR 291 Ca -0.01 -0.30 0.02 0.00 -2.27 0.00 0.00 64.05 61.49 3jxi n THR 291 Cb 0.47 0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 68.92 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 -2.01 0.99 -0.62 -0.78 1.02 0.30 -4.90 120.64 114.64 3jxi n GLU 292 Ca 0.00 -0.05 -0.30 0.00 -0.02 0.00 0.00 57.16 56.78 3jxi n GLU 292 Cb 0.47 -1.20 0.19 0.00 -0.02 0.00 0.00 31.44 30.88 3jxi n GLU 292 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3jxi n ASN 293 N -1.93 -0.38 -1.64 1.62 0.23 -0.42 -4.94 115.26 107.79 3jxi n ASN 293 Ca -0.05 0.24 0.09 0.00 -0.53 0.00 0.00 54.58 54.33 3jxi n ASN 293 Cb 0.37 -1.40 0.37 0.00 -2.08 0.00 0.00 39.78 37.04 3jxi n ASN 293 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3jxi n GLY 294 N 0.55 2.89 0.30 4.83 0.00 -1.26 -4.58 105.19 107.93 3jxi n GLY 294 Ca 0.09 -0.88 -0.01 0.00 0.00 0.00 0.00 46.02 45.22 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 0.91 0.00 -3.75 1.61 8.25 -1.26 -5.06 115.22 115.91 3jxi n HIS 295 Ca 0.26 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.60 3jxi n HIS 295 Cb 0.98 -0.04 -0.13 0.00 1.12 0.00 0.00 29.99 31.92 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 -1.18 0.21 -0.04 -0.41 2.20 -1.26 -5.10 119.74 114.15 3jxi s LYS 296 Ca -0.02 0.44 0.02 0.00 -0.36 0.00 0.00 55.97 56.05 3jxi s LYS 296 Cb 0.00 -0.05 -0.03 0.00 -1.51 0.00 0.00 37.83 36.24 3jxi s LYS 296 CO 0.03 -0.12 -0.08 -0.65 -0.36 0.00 0.00 175.35 174.17 3jxi s GLN 297 N 0.88 2.63 -0.11 4.03 -0.21 -1.26 -4.81 119.66 120.81 3jxi s GLN 297 Ca -0.06 -0.64 -0.30 0.00 0.02 0.00 0.00 55.36 54.38 3jxi s GLN 297 Cb -0.08 -2.52 -0.03 0.00 1.00 0.00 0.00 33.01 31.39 3jxi s GLN 297 CO -0.05 0.64 1.37 0.00 -2.12 0.00 0.00 175.29 175.13 3jxi s ALA 298 N -0.86 3.63 -0.16 6.09 0.00 0.20 -4.97 121.76 125.69 3jxi s ALA 298 Ca 0.14 0.65 -0.29 0.00 0.00 0.00 0.00 51.96 52.45 3jxi s ALA 298 Cb -0.11 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 3jxi s ALA 298 CO 0.03 -1.16 1.46 0.34 0.00 0.00 0.00 175.76 176.43 3jxi s ASP 299 N 2.26 6.72 0.03 0.00 3.68 -1.26 -4.41 116.67 123.69 3jxi s ASP 299 Ca 0.61 1.79 0.23 0.00 2.13 0.00 0.00 52.55 57.31 3jxi s ASP 299 Cb -0.26 -2.54 0.95 0.00 -1.45 0.00 0.00 42.92 39.62 3jxi s ASP 299 CO 0.21 -0.95 1.72 0.00 0.13 0.00 0.00 175.17 176.28 3jxi n LEU 300 N 7.25 0.09 0.01 -1.34 -0.00 -1.26 -1.92 117.00 119.84 3jxi n LEU 300 Ca 0.16 0.51 0.14 0.00 -0.00 0.00 0.00 56.01 56.82 3jxi n LEU 300 Cb 0.44 -0.49 0.53 0.00 -0.00 0.00 0.00 43.42 43.91 3jxi n LEU 300 CO 0.60 -0.15 0.87 0.54 -0.00 0.00 0.00 177.39 179.26 3jxi n ARG 301 N -1.60 0.04 -1.72 1.47 1.74 -1.26 -4.48 116.66 110.85 3jxi n ARG 301 Ca 0.05 0.03 -0.42 0.00 -0.77 0.00 0.00 57.85 56.74 3jxi n ARG 301 Cb 0.27 -1.54 -0.01 0.00 -1.02 0.00 0.00 32.46 30.16 3jxi n ARG 301 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3jxi n ARG 302 N -1.61 2.38 -4.72 5.56 5.12 -0.81 -4.92 116.66 117.67 3jxi n ARG 302 Ca 0.07 0.84 -0.32 0.00 -1.93 0.00 0.00 57.85 56.50 3jxi n ARG 302 Cb 0.35 -2.52 -0.12 0.00 -1.16 0.00 0.00 32.46 29.01 3jxi n ARG 302 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3jxi s GLN 303 N -1.25 2.49 0.00 5.56 -0.21 -1.26 -4.25 119.66 120.74 3jxi s GLN 303 Ca 0.60 -0.72 0.00 0.00 0.02 0.00 0.00 55.36 55.26 3jxi s GLN 303 Cb -0.55 -2.41 0.00 0.00 1.00 0.00 0.00 33.01 31.05 3jxi s GLN 303 CO 0.56 0.61 0.00 -0.40 -2.12 0.00 0.00 175.29 173.95 3jxi n ASP 304 N 2.01 0.00 0.00 5.90 5.68 -0.15 -4.82 116.55 125.17 3jxi n ASP 304 Ca -0.17 -0.61 0.08 0.00 -0.50 0.00 0.00 54.79 53.59 3jxi n ASP 304 Cb 0.52 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 40.90 3jxi n ASP 304 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3jxi n SER 305 N -1.82 0.00 -0.93 -1.12 3.41 -1.26 -0.93 113.62 110.97 3jxi n SER 305 Ca 0.00 0.03 0.11 0.00 -0.26 0.00 0.00 58.87 58.74 3jxi n SER 305 Cb 0.00 -0.27 0.14 0.00 -0.26 0.00 0.00 64.21 63.82 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 -1.27 2.13 -1.05 4.33 1.74 -1.26 -4.95 116.66 116.33 3jxi n ARG 306 Ca 0.08 -1.95 -0.02 0.00 -0.77 0.00 0.00 57.85 55.19 3jxi n ARG 306 Cb 0.12 -1.43 -0.01 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 1.25 0.44 3.67 -0.13 0.00 -0.10 -1.73 105.19 108.58 3jxi n GLY 307 Ca 0.15 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.18 7.02 1.05 1.61 0.01 -1.26 -3.66 114.94 117.53 3jxi s ASN 308 Ca 0.00 1.26 -0.16 0.00 -0.71 0.00 0.00 52.86 53.24 3jxi s ASN 308 Cb 0.00 -2.48 0.22 0.00 0.41 0.00 0.00 41.25 39.40 3jxi s ASN 308 CO 0.00 -0.42 1.18 0.42 -1.51 0.00 0.00 177.10 176.77 3jxi s THR 309 N 2.17 1.84 0.43 1.60 -4.23 -1.26 -0.97 115.64 115.22 3jxi s THR 309 Ca 0.41 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 61.05 3jxi s THR 309 Cb -0.17 -2.70 0.32 0.00 1.34 0.00 0.00 72.50 71.29 3jxi s THR 309 CO 0.13 0.00 1.98 1.62 -0.54 0.00 0.00 174.62 177.81 3jxi h VAL 310 N -1.99 0.91 -0.58 2.29 3.04 -1.79 -1.15 116.25 116.97 3jxi h VAL 310 Ca -0.47 -0.15 -0.03 0.00 -1.01 0.00 0.00 66.70 65.05 3jxi h VAL 310 Cb 1.29 0.44 -0.03 0.00 -2.01 0.00 0.00 31.29 30.98 3jxi h VAL 310 CO 0.44 0.08 0.26 -0.07 -1.01 0.00 0.00 177.57 177.27 3jxi h LEU 311 N 0.43 0.78 -0.91 3.16 3.38 -1.93 -1.64 115.31 118.58 3jxi h LEU 311 Ca 0.28 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 3jxi h LEU 311 Cb 0.52 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3jxi h LEU 311 CO -0.08 0.70 -0.20 0.45 0.09 0.00 0.00 178.44 179.40 3jxi h HIS 312 N 0.79 0.63 -0.37 1.13 3.86 -1.66 -2.37 115.15 117.18 3jxi h HIS 312 Ca 0.20 -0.13 -0.10 0.00 -1.16 0.00 0.00 60.37 59.18 3jxi h HIS 312 Cb 0.15 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 3jxi h HIS 312 CO 0.00 0.73 -0.19 0.00 0.86 0.00 0.00 177.93 179.34 3jxi h ALA 313 N 1.27 0.99 -0.20 2.45 0.00 -0.95 0.10 119.26 122.93 3jxi h ALA 313 Ca 0.08 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 3jxi h ALA 313 Cb 0.63 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3jxi h ALA 313 CO 0.04 0.60 -0.38 -0.07 0.00 0.00 0.00 179.25 179.45 3jxi h LEU 314 N 0.61 0.46 -0.35 0.00 3.38 -1.11 -1.60 115.31 116.70 3jxi h LEU 314 Ca 0.09 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3jxi h LEU 314 Cb 0.66 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3jxi h LEU 314 CO 0.05 0.80 0.13 0.58 0.09 0.00 0.00 178.44 180.09 3jxi h VAL 315 N 0.37 1.19 -0.55 1.22 2.07 -0.94 -1.73 116.25 117.89 3jxi h VAL 315 Ca 0.04 -0.61 0.05 0.00 0.82 0.00 0.00 66.70 67.00 3jxi h VAL 315 Cb 0.83 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 3jxi h VAL 315 CO 0.07 0.21 0.29 0.00 0.02 0.00 0.00 177.57 178.16 3jxi h ALA 316 N 0.98 0.72 -0.00 1.67 0.00 -0.43 -1.72 119.26 120.48 3jxi h ALA 316 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3jxi h ALA 316 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3jxi h ALA 316 CO -0.01 -0.05 -0.07 0.44 0.00 0.00 0.00 179.25 179.57 3jxi n ILE 317 N -4.86 0.00 -2.00 0.00 -6.64 -0.64 -4.82 119.36 100.41 3jxi n ILE 317 Ca 0.06 -0.04 -0.42 0.00 -1.77 0.00 0.00 62.75 60.58 3jxi n ILE 317 Cb 0.14 -0.26 -0.03 0.00 -1.44 0.00 0.00 39.64 38.06 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 -2.49 3.66 0.41 -1.28 0.00 -0.65 -4.99 121.76 116.42 3jxi s ALA 318 Ca 0.30 1.11 0.07 0.00 0.00 0.00 0.00 51.96 53.44 3jxi s ALA 318 Cb 0.20 -3.68 -0.06 0.00 0.00 0.00 0.00 23.12 19.58 3jxi s ALA 318 CO 0.47 -1.09 0.10 0.16 0.00 0.00 0.00 175.76 175.39 3jxi s ASP 319 N 2.39 4.17 -0.45 0.00 1.47 -1.26 -4.92 116.67 118.06 3jxi s ASP 319 Ca 0.72 -1.21 0.04 0.00 1.18 0.00 0.00 52.55 53.28 3jxi s ASP 319 Cb -0.37 -0.44 0.67 0.00 -0.34 0.00 0.00 42.92 42.43 3jxi s ASP 319 CO 0.31 -0.49 1.92 0.59 0.68 0.00 0.00 175.17 178.17 3jxi n ASN 320 N -1.11 3.79 -4.85 2.11 4.13 -1.26 -4.34 115.26 113.72 3jxi n ASN 320 Ca -0.03 -3.61 -0.32 0.00 1.68 0.00 0.00 54.58 52.30 3jxi n ASN 320 Cb 0.66 -0.84 -0.06 0.00 -1.54 0.00 0.00 39.78 38.00 3jxi n ASN 320 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3jxi s THR 321 N -3.32 4.68 0.22 3.41 -4.23 -1.26 -4.92 115.64 110.23 3jxi s THR 321 Ca 0.57 0.92 -0.08 0.00 -1.18 0.00 0.00 61.69 61.92 3jxi s THR 321 Cb 0.48 -3.63 0.17 0.00 1.34 0.00 0.00 72.50 70.86 3jxi s THR 321 CO 0.11 -0.26 1.80 0.03 -0.54 0.00 0.00 174.62 175.75 3jxi h ARG 322 N 2.03 0.65 -0.03 3.99 2.47 -1.99 -0.78 114.38 120.73 3jxi h ARG 322 Ca -0.48 -0.04 -0.24 0.00 -1.26 0.00 0.00 59.98 57.96 3jxi h ARG 322 Cb 1.18 -0.15 0.02 0.00 -1.65 0.00 0.00 29.97 29.37 3jxi h ARG 322 CO 0.65 0.43 -0.93 1.49 0.56 0.00 0.00 179.97 182.17 3jxi h GLU 323 N 0.67 0.68 -0.26 0.04 4.57 -1.97 -1.36 114.58 116.96 3jxi h GLU 323 Ca 0.33 -0.69 -0.05 0.00 -1.18 0.00 0.00 59.36 57.77 3jxi h GLU 323 Cb 0.28 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 3jxi h GLU 323 CO -0.23 1.28 -0.05 -0.97 -1.18 0.00 0.00 179.01 177.87 3jxi h ASN 324 N 0.35 0.49 1.18 1.04 -0.73 -1.81 -2.41 115.58 113.69 3jxi h ASN 324 Ca -0.11 -0.35 -0.08 0.00 1.87 0.00 0.00 56.30 57.63 3jxi h ASN 324 Cb 1.59 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 40.03 3jxi h ASN 324 CO 0.18 0.73 -0.38 0.71 -0.37 0.00 0.00 177.43 178.30 3jxi h THR 325 N 0.24 0.76 0.05 -3.57 1.35 -1.17 -0.74 112.91 109.83 3jxi h THR 325 Ca 0.07 -1.70 0.00 0.00 -0.55 0.00 0.00 66.41 64.23 3jxi h THR 325 Cb 0.51 2.10 -0.01 0.00 -1.73 0.00 0.00 68.15 69.03 3jxi h THR 325 CO 0.02 0.37 -0.05 0.50 -0.25 0.00 0.00 175.52 176.11 3jxi h LYS 326 N 0.00 -0.12 0.03 4.72 3.64 -1.11 -2.29 116.57 121.44 3jxi h LYS 326 Ca -0.00 0.01 -0.25 0.00 -1.27 0.00 0.00 60.65 59.14 3jxi h LYS 326 Cb 1.07 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.93 3jxi h LYS 326 CO 0.05 -0.08 -1.02 0.27 -2.27 0.00 0.00 179.45 176.40 3jxi h PHE 327 N -0.12 0.72 -0.52 1.91 -0.00 -1.29 -2.79 116.94 114.85 3jxi h PHE 327 Ca 0.00 -0.41 -0.01 0.00 -0.00 0.00 0.00 57.97 57.55 3jxi h PHE 327 Cb 0.12 -0.07 -0.03 0.00 -0.00 0.00 0.00 35.95 35.97 3jxi h PHE 327 CO -0.10 1.24 0.26 0.28 -0.00 0.00 0.00 178.31 180.00 3jxi h VAL 328 N 0.25 1.17 -0.02 0.88 2.07 -1.17 0.21 116.25 119.63 3jxi h VAL 328 Ca -0.10 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 3jxi h VAL 328 Cb 1.67 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3jxi h VAL 328 CO 0.18 0.19 -0.15 0.74 0.02 0.00 0.00 177.57 178.55 3jxi h THR 329 N 0.72 1.50 -0.04 2.57 2.02 -1.42 -0.88 112.91 117.39 3jxi h THR 329 Ca 0.18 -1.69 0.03 0.00 0.77 0.00 0.00 66.41 65.70 3jxi h THR 329 Cb 0.05 2.54 -0.03 0.00 -1.74 0.00 0.00 68.15 68.97 3jxi h THR 329 CO -0.03 0.46 -0.12 0.11 0.37 0.00 0.00 175.52 176.31 3jxi h LYS 330 N -0.46 -0.18 -0.78 6.66 1.57 -1.40 -2.00 116.57 119.97 3jxi h LYS 330 Ca -0.01 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3jxi h LYS 330 Cb 0.83 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.14 3jxi h LYS 330 CO 0.03 -0.12 0.51 1.98 -0.57 0.00 0.00 179.45 181.28 3jxi h MET 331 N -0.19 0.99 -0.15 3.15 4.05 -0.96 0.21 114.93 122.03 3jxi h MET 331 Ca 0.06 -0.06 0.01 0.00 -0.28 0.00 0.00 59.70 59.43 3jxi h MET 331 Cb 0.27 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 3jxi h MET 331 CO -0.15 0.66 0.05 -0.92 0.23 0.00 0.00 176.91 176.78 3jxi h TYR 332 N 1.02 0.10 -0.86 1.39 5.03 -1.07 -1.66 116.97 120.92 3jxi h TYR 332 Ca 0.30 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.60 3jxi h TYR 332 Cb -0.06 -0.02 -0.04 0.00 1.55 0.00 0.00 36.73 38.15 3jxi h TYR 332 CO -0.02 0.05 0.49 -0.44 -1.32 0.00 0.00 178.16 176.91 3jxi h ASP 333 N 0.13 1.06 -0.20 -2.11 3.32 -0.95 -2.32 116.42 115.34 3jxi h ASP 333 Ca 0.07 -0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.07 3jxi h ASP 333 Cb 0.04 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 3jxi h ASP 333 CO -0.07 0.84 -0.05 0.25 -1.72 0.00 0.00 179.24 178.50 3jxi h LEU 334 N 1.20 -0.18 -1.02 1.55 5.85 -0.25 -2.43 115.31 120.03 3jxi h LEU 334 Ca 0.31 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.98 3jxi h LEU 334 Cb 0.00 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3jxi h LEU 334 CO -0.05 -0.06 -0.44 -0.07 -0.34 0.00 0.00 178.44 177.48 3jxi h LEU 335 N 0.01 0.11 -0.80 2.25 3.38 -1.16 -1.55 115.31 117.54 3jxi h LEU 335 Ca 0.10 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 3jxi h LEU 335 Cb 0.15 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3jxi h LEU 335 CO -0.21 0.54 -0.33 -0.07 0.09 0.00 0.00 178.44 178.47 3jxi h LEU 336 N 0.09 0.54 -0.20 1.67 3.38 -1.29 -1.68 115.31 117.82 3jxi h LEU 336 Ca 0.01 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 3jxi h LEU 336 Cb 0.82 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3jxi h LEU 336 CO 0.06 0.84 -0.09 0.40 0.09 0.00 0.00 178.44 179.74 3jxi h ILE 337 N 0.45 1.30 -0.88 1.22 2.04 -0.93 -1.66 117.51 119.05 3jxi h ILE 337 Ca 0.05 -1.13 0.05 0.00 1.00 0.00 0.00 64.86 64.83 3jxi h ILE 337 Cb 0.79 1.63 -0.06 0.00 -0.74 0.00 0.00 36.82 38.44 3jxi h ILE 337 CO 0.06 0.34 0.56 0.11 0.00 0.00 0.00 178.15 179.22 3jxi h LYS 338 N 0.11 1.02 -0.44 2.37 1.79 -1.29 -2.34 116.57 117.80 3jxi h LYS 338 Ca 0.05 -0.06 -0.12 0.00 -2.18 0.00 0.00 60.65 58.34 3jxi h LYS 338 Cb 0.57 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 3jxi h LYS 338 CO 0.03 0.68 -0.19 0.00 -1.08 0.00 0.00 179.45 178.88 3jxi h ALA 340 N 1.02 1.10 -0.03 0.00 0.00 -1.08 0.27 119.26 120.54 3jxi h ALA 340 Ca 0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3jxi h ALA 340 Cb 0.73 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3jxi h ALA 340 CO 0.06 0.65 -0.10 0.87 0.00 0.00 0.00 179.25 180.73 3jxi h LYS 341 N 1.21 0.12 0.25 0.00 1.57 -1.14 -3.27 116.57 115.31 3jxi h LYS 341 Ca 0.29 -0.09 -0.34 0.00 -1.87 0.00 0.00 60.65 58.65 3jxi h LYS 341 Cb 0.10 0.01 0.04 0.00 0.08 0.00 0.00 32.23 32.46 3jxi h LYS 341 CO -0.04 0.71 -1.51 -0.07 -0.57 0.00 0.00 179.45 177.96 3jxi h LEU 342 N -0.44 0.82 -6.13 2.94 3.38 -0.13 -3.42 115.31 112.34 3jxi h LEU 342 Ca -0.00 -0.91 -0.57 0.00 0.09 0.00 0.00 57.88 56.48 3jxi h LEU 342 Cb 0.72 -0.27 -0.40 0.00 0.09 0.00 0.00 40.66 40.80 3jxi h LEU 342 CO 0.02 1.72 -0.97 0.49 0.09 0.00 0.00 178.44 179.79 3jxi n PHE 343 N -3.70 0.48 0.31 1.13 3.72 0.96 -4.98 117.46 115.38 3jxi n PHE 343 Ca -0.18 -3.67 0.18 0.00 -0.05 0.00 0.00 57.45 53.73 3jxi n PHE 343 Cb 1.10 -0.32 1.01 0.00 -0.94 0.00 0.00 39.48 40.34 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 4.30 0.00 -0.09 -1.08 0.13 -1.61 -1.93 132.00 131.72 3jxi h PRO 344 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3jxi h PRO 344 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3jxi h PRO 344 CO 0.53 0.01 0.00 -0.25 -0.23 0.00 0.00 178.00 178.06 3jxi n ASP 345 N -3.57 1.38 -4.55 1.44 8.00 -1.26 -4.80 116.55 113.20 3jxi n ASP 345 Ca -0.03 -1.57 -0.33 0.00 0.71 0.00 0.00 54.79 53.57 3jxi n ASP 345 Cb 0.09 -0.05 -0.11 0.00 -0.02 0.00 0.00 41.12 41.02 3jxi n ASP 345 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3jxi s THR 346 N -1.89 3.45 -0.44 -3.53 -1.32 -0.73 -5.08 115.64 106.10 3jxi s THR 346 Ca 0.35 -0.72 -0.18 0.00 -1.21 0.00 0.00 61.69 59.94 3jxi s THR 346 Cb 0.19 -2.44 0.03 0.00 -1.51 0.00 0.00 72.50 68.77 3jxi s THR 346 CO 0.29 0.49 0.47 0.21 -2.21 0.00 0.00 174.62 173.87 3jxi s ASN 347 N -1.09 6.20 0.39 8.08 3.04 -1.26 -4.90 114.94 125.40 3jxi s ASN 347 Ca 0.14 -0.75 0.09 0.00 0.04 0.00 0.00 52.86 52.37 3jxi s ASN 347 Cb -0.11 -2.23 0.79 0.00 -1.54 0.00 0.00 41.25 38.16 3jxi s ASN 347 CO 0.04 -0.64 1.94 0.25 -3.04 0.00 0.00 177.10 175.65 3jxi h LEU 348 N 9.16 0.30 -0.04 3.21 6.46 -1.97 -0.10 115.31 132.33 3jxi h LEU 348 Ca -0.27 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.45 3jxi h LEU 348 Cb 1.11 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.96 3jxi h LEU 348 CO 0.83 0.39 0.00 -0.62 -0.62 0.00 0.00 178.44 178.42 3jxi n GLU 349 N -4.32 0.09 0.00 1.25 1.02 -1.26 -2.77 120.64 114.64 3jxi n GLU 349 Ca 0.00 0.11 0.14 0.00 -0.02 0.00 0.00 57.16 57.39 3jxi n GLU 349 Cb 0.22 -1.61 0.52 0.00 -0.02 0.00 0.00 31.44 30.54 3jxi n GLU 349 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3jxi n ALA 350 N -1.60 2.89 -2.54 0.62 0.00 -0.06 -4.45 120.51 115.36 3jxi n ALA 350 Ca 0.06 -0.29 -0.43 0.00 0.00 0.00 0.00 53.44 52.78 3jxi n ALA 350 Cb 0.34 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 3jxi n ALA 350 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3jxi s LEU 351 N -2.58 3.61 0.07 0.00 1.43 -1.12 -5.01 118.68 115.09 3jxi s LEU 351 Ca 0.25 0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 53.86 3jxi s LEU 351 Cb 0.19 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 3jxi s LEU 351 CO 0.51 -1.31 0.25 -0.76 0.23 0.00 0.00 176.35 175.28 3jxi s LEU 352 N 4.71 4.34 0.00 1.79 1.43 -1.26 -4.72 118.68 124.96 3jxi s LEU 352 Ca 0.51 0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 53.90 3jxi s LEU 352 Cb -0.08 -2.99 0.17 0.00 0.03 0.00 0.00 46.19 43.31 3jxi s LEU 352 CO 0.32 0.16 1.07 -0.46 0.23 0.00 0.00 176.35 177.67 3jxi n ASN 353 N 0.35 0.71 0.10 2.29 0.23 -0.60 -4.86 115.26 113.48 3jxi n ASN 353 Ca -0.05 -1.77 0.08 0.00 -0.53 0.00 0.00 54.58 52.31 3jxi n ASN 353 Cb 0.51 -0.76 0.41 0.00 -2.08 0.00 0.00 39.78 37.86 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 -3.33 0.40 -0.69 0.53 5.03 -0.71 -0.38 115.26 116.12 3jxi n ASN 354 Ca 0.15 0.66 0.12 0.00 0.87 0.00 0.00 54.58 56.38 3jxi n ASN 354 Cb 0.54 -0.72 0.35 0.00 -1.02 0.00 0.00 39.78 38.93 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 -2.01 2.09 -0.10 6.41 8.00 -1.26 -4.95 116.55 124.73 3jxi n ASP 355 Ca 0.00 -1.75 -0.01 0.00 0.71 0.00 0.00 54.79 53.74 3jxi n ASP 355 Cb 0.08 -0.10 -0.01 0.00 -0.02 0.00 0.00 41.12 41.07 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 1.23 0.51 3.87 0.44 0.00 0.49 -5.03 105.19 106.70 3jxi n GLY 356 Ca 0.17 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.30 4.41 0.76 0.99 1.43 -1.26 -4.76 118.68 119.95 3jxi s LEU 357 Ca 0.00 0.62 -0.10 0.00 -1.03 0.00 0.00 54.13 53.62 3jxi s LEU 357 Cb 0.00 -2.27 0.06 0.00 0.03 0.00 0.00 46.19 44.01 3jxi s LEU 357 CO 0.00 0.37 1.10 -0.94 0.23 0.00 0.00 176.35 177.12 3jxi s SER 358 N -1.11 4.74 0.15 2.29 1.04 -1.26 -1.55 113.70 117.99 3jxi s SER 358 Ca 0.19 0.70 -0.18 0.00 0.48 0.00 0.00 55.95 57.14 3jxi s SER 358 Cb -0.13 -1.29 0.04 0.00 0.10 0.00 0.00 66.02 64.73 3jxi s SER 358 CO 0.08 -1.72 1.71 -0.65 0.98 0.00 0.00 173.24 173.64 3jxi h PRO 359 N -0.83 0.09 -0.54 4.02 0.11 -1.85 -1.55 132.00 131.46 3jxi h PRO 359 Ca -0.45 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.74 3jxi h PRO 359 Cb 1.32 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.34 3jxi h PRO 359 CO 0.64 0.06 0.17 1.25 -0.21 0.00 0.00 178.00 179.91 3jxi h LEU 360 N 0.09 0.14 -1.03 2.35 5.85 -1.94 0.48 115.31 121.25 3jxi h LEU 360 Ca 0.14 0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.84 3jxi h LEU 360 Cb 0.19 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3jxi h LEU 360 CO -0.24 0.10 -0.46 0.24 -0.34 0.00 0.00 178.44 177.73 3jxi h MET 361 N 0.34 0.04 -0.29 1.25 2.86 -1.90 -1.11 114.93 116.11 3jxi h MET 361 Ca 0.27 -0.02 -0.15 0.00 -2.06 0.00 0.00 59.70 57.74 3jxi h MET 361 Cb 0.33 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3jxi h MET 361 CO -0.30 0.50 -0.41 1.98 1.06 0.00 0.00 176.91 179.74 3jxi h MET 362 N 0.03 0.72 -0.16 1.72 1.85 -0.43 -1.51 114.93 117.16 3jxi h MET 362 Ca -0.00 -0.38 -0.01 0.00 -0.61 0.00 0.00 59.70 58.70 3jxi h MET 362 Cb 0.84 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.87 3jxi h MET 362 CO 0.06 1.00 0.06 0.00 -0.40 0.00 0.00 176.91 177.63 3jxi h ALA 363 N 0.95 0.20 -0.54 0.39 0.00 -0.56 -1.60 119.26 118.11 3jxi h ALA 363 Ca 0.05 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3jxi h ALA 363 Cb 0.96 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 3jxi h ALA 363 CO 0.09 -0.20 0.31 0.00 0.00 0.00 0.00 179.25 179.45 3jxi h ALA 364 N 0.89 0.70 -0.66 0.00 0.00 -1.23 0.23 119.26 119.18 3jxi h ALA 364 Ca 0.05 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3jxi h ALA 364 Cb 0.19 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3jxi h ALA 364 CO -0.00 0.01 0.10 -0.22 0.00 0.00 0.00 179.25 179.14 3jxi h LYS 365 N 0.61 1.10 -0.28 0.00 3.64 -1.12 -2.98 116.57 117.53 3jxi h LYS 365 Ca 0.22 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3jxi h LYS 365 Cb 0.06 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3jxi h LYS 365 CO -0.11 1.01 0.00 0.25 -2.27 0.00 0.00 179.45 178.32 3jxi n THR 366 N -4.23 0.36 -1.05 1.00 -2.24 -0.61 -4.97 114.28 102.53 3jxi n THR 366 Ca 0.04 -0.56 -0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3jxi n THR 366 Cb 0.29 0.73 -0.00 0.00 -2.10 0.00 0.00 70.33 69.26 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 1.34 0.39 3.23 3.38 0.00 0.06 -4.96 105.19 108.62 3jxi n GLY 367 Ca 0.18 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.90 3.13 -0.13 1.61 4.76 0.57 -4.79 118.16 120.41 3jxi n LYS 368 Ca -0.00 -3.13 -0.03 0.00 -2.87 0.00 0.00 58.31 52.28 3jxi n LYS 368 Cb 0.03 -3.34 0.19 0.00 -1.84 0.00 0.00 35.03 30.07 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 4.80 1.23 -0.01 -0.18 1.08 -1.93 -0.41 117.51 122.09 3jxi h ILE 369 Ca 0.47 -0.82 -0.00 0.00 -0.39 0.00 0.00 64.86 64.13 3jxi h ILE 369 Cb 0.77 0.67 -0.00 0.00 -3.07 0.00 0.00 36.82 35.19 3jxi h ILE 369 CO 1.60 0.30 0.01 1.23 -0.69 0.00 0.00 178.15 180.60 3jxi h GLY 370 N 0.97 0.02 1.32 5.37 0.00 -1.92 0.46 103.07 109.31 3jxi h GLY 370 Ca 0.18 -0.01 -0.23 0.00 0.00 0.00 0.00 47.33 47.27 3jxi h GLY 370 CO -0.00 0.01 -0.86 1.19 0.00 0.00 0.00 176.54 176.88 3jxi h ILE 371 N -0.09 1.31 0.14 2.60 6.09 -1.90 -2.96 117.51 122.70 3jxi h ILE 371 Ca 0.01 -2.14 0.02 0.00 -1.37 0.00 0.00 64.86 61.37 3jxi h ILE 371 Cb 0.11 2.17 -0.03 0.00 0.47 0.00 0.00 36.82 39.54 3jxi h ILE 371 CO -0.00 0.66 -0.26 0.15 -3.07 0.00 0.00 178.15 175.63 3jxi h PHE 372 N 0.41 -0.70 -0.39 2.19 3.57 -1.01 -2.03 116.94 118.98 3jxi h PHE 372 Ca -0.07 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 3jxi h PHE 372 Cb 1.49 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 40.50 3jxi h PHE 372 CO 0.08 -0.37 0.17 1.96 -2.23 0.00 0.00 178.31 177.92 3jxi h GLN 373 N -0.48 0.54 -0.33 1.11 4.20 -1.00 -2.59 115.11 116.56 3jxi h GLN 373 Ca 0.02 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3jxi h GLN 373 Cb 0.50 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 3jxi h GLN 373 CO -0.14 0.44 0.22 1.25 -0.67 0.00 0.00 178.83 179.93 3jxi h HIS 374 N 0.55 0.42 -0.66 2.96 2.76 -1.29 -2.00 115.15 117.89 3jxi h HIS 374 Ca 0.14 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 3jxi h HIS 374 Cb 0.09 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 28.88 3jxi h HIS 374 CO 0.00 0.27 0.30 0.82 -1.30 0.00 0.00 177.93 178.02 3jxi h ILE 375 N 0.45 1.22 -0.10 6.26 2.04 -1.15 -1.80 117.51 124.43 3jxi h ILE 375 Ca 0.12 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 3jxi h ILE 375 Cb -0.04 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 3jxi h ILE 375 CO -0.03 0.26 0.02 0.40 0.00 0.00 0.00 178.15 178.81 3jxi h ILE 376 N 0.93 1.20 -0.79 -0.67 1.08 -1.33 -1.22 117.51 116.71 3jxi h ILE 376 Ca 0.23 -0.63 0.09 0.00 -0.39 0.00 0.00 64.86 64.15 3jxi h ILE 376 Cb 0.12 1.44 -0.05 0.00 -3.07 0.00 0.00 36.82 35.26 3jxi h ILE 376 CO -0.03 0.18 0.52 0.03 -0.69 0.00 0.00 178.15 178.16 3jxi h ARG 377 N -0.06 0.75 -0.09 2.37 3.08 -1.23 -1.01 114.38 118.19 3jxi h ARG 377 Ca 0.03 -0.05 -0.21 0.00 0.07 0.00 0.00 59.98 59.82 3jxi h ARG 377 Cb 0.27 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3jxi h ARG 377 CO 0.00 0.50 -0.81 -0.09 -1.07 0.00 0.00 179.97 178.50 3jxi h ARG 378 N 0.77 0.59 -0.20 0.04 2.43 -1.06 0.47 114.38 117.42 3jxi h ARG 378 Ca 0.36 -0.51 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 3jxi h ARG 378 Cb 0.38 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3jxi h ARG 378 CO -0.13 1.14 0.07 1.49 -1.51 0.00 0.00 179.97 181.02 3jxi h GLU 379 N 0.39 0.30 -0.43 0.20 4.57 -1.01 0.30 114.58 118.89 3jxi h GLU 379 Ca -0.06 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.05 3jxi h GLU 379 Cb 1.42 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.95 3jxi h GLU 379 CO 0.15 0.39 0.20 0.82 -1.18 0.00 0.00 179.01 179.40 3jxi h ILE 380 N 0.16 1.18 -0.40 2.32 2.04 -1.14 -2.23 117.51 119.45 3jxi h ILE 380 Ca 0.06 -0.53 -0.08 0.00 1.00 0.00 0.00 64.86 65.32 3jxi h ILE 380 Cb 0.21 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3jxi h ILE 380 CO -0.00 0.20 -0.09 0.00 0.00 0.00 0.00 178.15 178.26 3jxi h ALA 381 N 1.05 1.11 -0.03 1.87 0.00 -0.79 -2.61 119.26 119.86 3jxi h ALA 381 Ca 0.15 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3jxi h ALA 381 Cb 0.13 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3jxi h ALA 381 CO -0.02 0.56 -0.20 0.22 0.00 0.00 0.00 179.25 179.81 3jxi h ASP 382 N 0.63 -0.61 -0.15 0.00 1.82 -0.21 -1.58 116.42 116.33 3jxi h ASP 382 Ca 0.11 0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 56.83 3jxi h ASP 382 Cb 0.52 0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.78 3jxi h ASP 382 CO 0.03 -0.27 0.05 0.00 -1.61 0.00 0.00 179.24 177.44 3jxi h ALA 383 N 0.60 0.19 -0.79 -0.78 0.00 -1.26 -2.66 119.26 114.56 3jxi h ALA 383 Ca 0.07 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 54.99 3jxi h ALA 383 Cb 0.40 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.05 3jxi h ALA 383 CO -0.21 -0.20 0.38 0.00 0.00 0.00 0.00 179.25 179.22 3jxi h ALA 384 N 0.87 1.14 0.00 0.00 0.00 -1.45 -0.39 119.26 119.43 3jxi h ALA 384 Ca 0.05 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3jxi h ALA 384 Cb 0.21 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3jxi h ALA 384 CO -0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 179.25 179.11 3jxi h ALA 385 N 1.51 1.13 -0.01 0.00 0.00 -0.94 -2.22 119.26 118.74 3jxi h ALA 385 Ca 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3jxi h ALA 385 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3jxi h ALA 385 CO -0.34 0.05 -0.72 0.72 0.00 0.00 0.00 179.25 178.95 3jxi n HIS 386 N -3.32 0.00 -3.29 0.00 8.25 -0.27 -4.54 115.22 112.05 3jxi n HIS 386 Ca -0.02 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.19 3jxi n HIS 386 Cb 0.18 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.21 3jxi n HIS 386 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3jxi n HIS 387 N -0.83 2.10 -0.82 4.41 8.25 -0.50 -5.09 115.22 122.73 3jxi n HIS 387 Ca 0.06 -3.92 0.00 0.00 -0.26 0.00 0.00 57.72 53.60 3jxi n HIS 387 Cb 0.37 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 31.01 3jxi n HIS 387 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70