#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jdh s VAL 136 N 0.00 4.06 0.23 0.00 1.01 -1.26 -5.00 120.40 119.44 1jdh s VAL 136 Ca 0.00 1.20 0.02 0.00 0.00 0.00 0.00 61.98 63.19 1jdh s VAL 136 Cb 0.00 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.34 1jdh s VAL 136 CO 0.00 -0.43 0.14 1.33 0.00 0.00 0.00 175.10 176.15 1jdh n VAL 137 N 6.21 0.00 -2.85 2.92 0.24 -1.26 -4.78 118.33 118.82 1jdh n VAL 137 Ca 0.15 -0.95 -0.15 0.00 -2.04 0.00 0.00 64.34 61.35 1jdh n VAL 137 Cb 0.46 -0.20 0.03 0.00 -1.47 0.00 0.00 33.84 32.66 1jdh n VAL 137 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1jdh n ASN 138 N -1.78 -4.68 -4.81 -1.34 3.02 -1.26 -5.03 115.26 99.38 1jdh n ASN 138 Ca -0.02 -0.22 -0.26 0.00 -0.03 0.00 0.00 54.58 54.04 1jdh n ASN 138 Cb 0.27 -3.49 -0.05 0.00 -0.61 0.00 0.00 39.78 35.90 1jdh n ASN 138 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jdh s LEU 139 N -4.73 3.86 0.00 3.41 1.43 -1.26 -5.33 118.68 116.06 1jdh s LEU 139 Ca 0.24 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 1jdh s LEU 139 Cb -0.10 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.65 1jdh s LEU 139 CO 0.29 0.07 0.00 -0.38 0.23 0.00 0.00 176.35 176.56 1jdh n ILE 140 N -0.37 0.00 0.00 -0.59 -0.00 -1.26 -5.28 119.36 111.86 1jdh n ILE 140 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.67 1jdh n ILE 140 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.19 1jdh n ILE 140 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44 1jdh n ARG 151 N 0.00 0.00 -0.25 0.38 -4.01 -1.26 -5.29 116.66 106.22 1jdh n ARG 151 Ca 0.00 0.00 -0.06 0.00 -1.04 0.00 0.00 57.85 56.75 1jdh n ARG 151 Cb 0.00 -2.91 0.05 0.00 -3.04 0.00 0.00 32.46 26.56 1jdh n ARG 151 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1jdh h ALA 152 N 0.00 0.90 0.21 2.89 0.00 -2.04 -2.37 119.26 118.85 1jdh h ALA 152 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1jdh h ALA 152 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1jdh h ALA 152 CO 0.00 0.46 -0.10 0.82 0.00 0.00 0.00 179.25 180.43 1jdh h ILE 153 N 0.98 0.87 -0.08 0.00 1.08 -1.99 -0.97 117.51 117.40 1jdh h ILE 153 Ca 0.24 -0.50 0.02 0.00 -0.39 0.00 0.00 64.86 64.24 1jdh h ILE 153 Cb 0.10 1.17 -0.00 0.00 -3.07 0.00 0.00 36.82 35.02 1jdh h ILE 153 CO -0.03 0.11 0.09 -0.65 -0.69 0.00 0.00 178.15 176.98 1jdh h PRO 154 N -0.53 0.00 0.11 2.37 0.11 -1.96 -0.12 132.00 131.97 1jdh h PRO 154 Ca -0.03 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.93 1jdh h PRO 154 Cb 0.40 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.52 1jdh h PRO 154 CO 0.05 0.00 -0.65 1.49 -0.21 0.00 0.00 178.00 178.68 1jdh h GLU 155 N 0.00 0.25 -0.50 1.05 4.57 -1.21 -3.22 114.58 115.52 1jdh h GLU 155 Ca 0.04 -0.41 -0.06 0.00 -1.18 0.00 0.00 59.36 57.74 1jdh h GLU 155 Cb 0.23 0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 1jdh h GLU 155 CO -0.00 1.19 0.05 -0.07 -1.18 0.00 0.00 179.01 179.00 1jdh h LEU 156 N -0.47 0.76 -1.53 1.64 3.38 -0.52 -2.23 115.31 116.34 1jdh h LEU 156 Ca -0.11 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1jdh h LEU 156 Cb 1.50 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1jdh h LEU 156 CO 0.12 0.80 0.09 0.00 0.09 0.00 0.00 178.44 179.54 1jdh h THR 157 N 0.76 1.13 -0.25 0.22 1.03 -1.15 -0.94 112.91 113.71 1jdh h THR 157 Ca 0.16 -0.43 -0.19 0.00 -0.01 0.00 0.00 66.41 65.94 1jdh h THR 157 Cb 0.39 0.82 0.00 0.00 -1.07 0.00 0.00 68.15 68.29 1jdh h THR 157 CO 0.01 0.16 -0.59 0.11 -0.01 0.00 0.00 175.52 175.20 1jdh h LYS 158 N 0.39 0.84 -0.39 0.00 6.56 -1.42 -2.97 116.57 119.58 1jdh h LYS 158 Ca 0.10 -0.57 -0.08 0.00 -1.06 0.00 0.00 60.65 59.04 1jdh h LYS 158 Cb 0.13 0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 31.85 1jdh h LYS 158 CO -0.01 1.20 -0.09 -0.07 -2.06 0.00 0.00 179.45 178.42 1jdh h LEU 159 N 0.60 0.64 -1.39 2.94 3.38 -0.84 -1.82 115.31 118.84 1jdh h LEU 159 Ca -0.00 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1jdh h LEU 159 Cb 1.20 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1jdh h LEU 159 CO 0.13 0.77 -0.16 -0.07 0.09 0.00 0.00 178.44 179.20 1jdh h LEU 160 N 0.61 0.00 -0.39 1.67 3.38 -1.19 -2.13 115.31 117.26 1jdh h LEU 160 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1jdh h LEU 160 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1jdh h LEU 160 CO 0.03 0.16 -0.24 0.59 0.09 0.00 0.00 178.44 179.07 1jdh n ASN 161 N -3.38 0.85 -4.77 -0.43 5.03 -0.74 -4.87 115.26 106.95 1jdh n ASN 161 Ca -0.00 -0.75 -0.40 0.00 0.87 0.00 0.00 54.58 54.29 1jdh n ASN 161 Cb 0.36 0.09 0.01 0.00 -1.02 0.00 0.00 39.78 39.21 1jdh n ASN 161 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1jdh s ASP 162 N -2.54 6.04 0.47 6.41 3.68 -0.80 -4.89 116.67 125.04 1jdh s ASP 162 Ca 0.24 2.91 0.26 0.00 2.13 0.00 0.00 52.55 58.10 1jdh s ASP 162 Cb 0.19 -2.65 1.04 0.00 -1.45 0.00 0.00 42.92 40.05 1jdh s ASP 162 CO 0.52 -1.06 1.87 1.05 0.13 0.00 0.00 175.17 177.68 1jdh h GLU 163 N 2.53 0.00 -6.23 4.34 4.11 -1.91 -3.42 114.58 113.99 1jdh h GLU 163 Ca -0.51 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 58.35 1jdh h GLU 163 Cb 1.26 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.46 1jdh h GLU 163 CO 0.62 0.16 0.91 0.34 0.07 0.00 0.00 179.01 181.11 1jdh s ASP 164 N -6.07 6.86 0.32 3.06 -1.08 -1.26 -4.92 116.67 113.58 1jdh s ASP 164 Ca 0.01 1.41 0.13 0.00 -0.52 0.00 0.00 52.55 53.58 1jdh s ASP 164 Cb 0.10 -2.54 0.53 0.00 -1.46 0.00 0.00 42.92 39.55 1jdh s ASP 164 CO 0.61 -0.88 1.70 1.56 0.52 0.00 0.00 175.17 178.68 1jdh h GLN 165 N 8.49 0.00 -0.33 4.34 1.08 -1.98 -2.07 115.11 124.63 1jdh h GLN 165 Ca -0.25 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 56.88 1jdh h GLN 165 Cb 1.09 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.50 1jdh h GLN 165 CO 1.00 0.50 -0.09 0.28 -0.95 0.00 0.00 178.83 179.57 1jdh h VAL 166 N 0.00 1.23 -0.24 -0.54 2.07 -1.96 0.57 116.25 117.38 1jdh h VAL 166 Ca -0.00 -0.99 -0.13 0.00 0.82 0.00 0.00 66.70 66.39 1jdh h VAL 166 Cb 0.94 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1jdh h VAL 166 CO 0.06 0.33 -0.38 0.58 0.02 0.00 0.00 177.57 178.19 1jdh h VAL 167 N 0.51 1.31 -0.47 2.57 2.07 -1.85 -2.46 116.25 117.94 1jdh h VAL 167 Ca 0.10 -1.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 1jdh h VAL 167 Cb 0.47 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1jdh h VAL 167 CO 0.03 0.50 0.28 0.58 0.02 0.00 0.00 177.57 178.97 1jdh h VAL 168 N 0.39 1.15 -0.46 2.57 2.07 -0.93 -0.66 116.25 120.38 1jdh h VAL 168 Ca 0.02 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.21 1jdh h VAL 168 Cb 0.97 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1jdh h VAL 168 CO 0.09 0.16 0.27 0.78 0.02 0.00 0.00 177.57 178.88 1jdh h ASN 169 N 0.63 0.44 -0.51 0.57 -0.26 -0.85 0.87 115.58 116.47 1jdh h ASN 169 Ca 0.17 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.80 1jdh h ASN 169 Cb 0.01 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.16 1jdh h ASN 169 CO -0.03 0.31 -0.11 0.11 -1.06 0.00 0.00 177.43 176.65 1jdh h LYS 170 N 0.55 0.99 -0.39 0.81 1.79 -1.22 -2.62 116.57 116.49 1jdh h LYS 170 Ca 0.18 -0.36 -0.09 0.00 -2.18 0.00 0.00 60.65 58.19 1jdh h LYS 170 Cb 0.01 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 1jdh h LYS 170 CO -0.08 1.04 -0.15 0.00 -1.08 0.00 0.00 179.45 179.18 1jdh h ALA 171 N 0.98 1.02 -0.79 3.86 0.00 -0.78 -2.68 119.26 120.86 1jdh h ALA 171 Ca 0.14 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1jdh h ALA 171 Cb 0.67 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1jdh h ALA 171 CO 0.05 0.59 0.50 0.00 0.00 0.00 0.00 179.25 180.39 1jdh h ALA 172 N 1.20 1.01 -0.45 0.00 0.00 -0.60 -0.73 119.26 119.69 1jdh h ALA 172 Ca 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1jdh h ALA 172 Cb 0.61 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1jdh h ALA 172 CO 0.04 0.44 0.21 0.28 0.00 0.00 0.00 179.25 180.22 1jdh h VAL 173 N 1.08 1.19 -0.44 0.00 2.07 -1.23 -1.81 116.25 117.10 1jdh h VAL 173 Ca 0.29 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1jdh h VAL 173 Cb -0.09 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1jdh h VAL 173 CO -0.06 0.20 0.22 0.24 0.02 0.00 0.00 177.57 178.19 1jdh h MET 174 N 0.58 0.63 -0.65 1.57 2.86 -1.12 -1.69 114.93 117.11 1jdh h MET 174 Ca 0.15 -0.09 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1jdh h MET 174 Cb 0.13 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 1jdh h MET 174 CO -0.02 0.54 0.42 0.28 1.06 0.00 0.00 176.91 179.19 1jdh h VAL 175 N 0.57 1.12 -0.30 -2.22 2.07 -0.99 -1.44 116.25 115.06 1jdh h VAL 175 Ca 0.15 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1jdh h VAL 175 Cb 0.11 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1jdh h VAL 175 CO -0.02 0.15 0.18 -0.74 0.02 0.00 0.00 177.57 177.17 1jdh h HIS 176 N 0.84 0.39 -0.95 1.57 6.17 -1.03 -0.90 115.15 121.24 1jdh h HIS 176 Ca 0.25 0.00 0.04 0.00 0.71 0.00 0.00 60.37 61.38 1jdh h HIS 176 Cb -0.03 -0.13 -0.06 0.00 2.52 0.00 0.00 27.41 29.71 1jdh h HIS 176 CO -0.04 0.28 0.62 1.96 0.71 0.00 0.00 177.93 181.47 1jdh h GLN 177 N 0.38 1.14 -0.03 5.26 4.20 -0.96 -1.89 115.11 123.21 1jdh h GLN 177 Ca 0.11 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.65 1jdh h GLN 177 Cb 0.00 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 1jdh h GLN 177 CO -0.02 0.75 -0.46 -0.07 -0.67 0.00 0.00 178.83 178.36 1jdh h LEU 178 N 1.17 0.09 -0.97 1.46 3.38 -0.74 -2.84 115.31 116.85 1jdh h LEU 178 Ca 0.38 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1jdh h LEU 178 Cb 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1jdh h LEU 178 CO -0.13 0.54 0.00 0.77 0.09 0.00 0.00 178.44 179.71 1jdh h SER 179 N 0.07 0.00 1.11 -0.43 4.64 -0.33 -2.59 113.55 116.02 1jdh h SER 179 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1jdh h SER 179 Cb 0.85 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1jdh h SER 179 CO 0.06 0.00 -0.03 0.11 -0.87 0.00 0.00 176.83 176.10 1jdh h LYS 180 N 0.00 0.00 -5.20 4.77 1.57 -1.43 -3.43 116.57 112.84 1jdh h LYS 180 Ca 0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 1jdh h LYS 180 Cb 0.34 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.47 1jdh h LYS 180 CO 0.00 0.03 -0.59 0.15 -0.57 0.00 0.00 179.45 178.48 1jdh s LYS 181 N -3.62 3.87 0.30 3.15 1.02 -0.98 -4.99 119.74 118.50 1jdh s LYS 181 Ca 0.02 -0.39 0.06 0.00 0.02 0.00 0.00 55.97 55.68 1jdh s LYS 181 Cb 0.09 -3.21 0.78 0.00 -0.52 0.00 0.00 37.83 34.96 1jdh s LYS 181 CO 0.57 0.16 1.75 0.93 -0.92 0.00 0.00 175.35 177.84 1jdh h GLU 182 N 7.07 0.61 0.08 1.68 3.07 -1.86 0.89 114.58 126.12 1jdh h GLU 182 Ca -0.36 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.46 1jdh h GLU 182 Cb 1.17 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.94 1jdh h GLU 182 CO 0.66 0.41 -0.06 0.00 -1.40 0.00 0.00 179.01 178.62 1jdh h ALA 183 N 1.68 -0.13 0.00 3.43 0.00 -1.94 -2.47 119.26 119.83 1jdh h ALA 183 Ca 0.59 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.46 1jdh h ALA 183 Cb 1.03 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1jdh h ALA 183 CO -0.44 -0.58 -0.10 0.66 0.00 0.00 0.00 179.25 178.79 1jdh h SER 184 N -0.15 0.00 0.65 0.00 4.64 -1.45 -3.29 113.55 113.96 1jdh h SER 184 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1jdh h SER 184 Cb 0.13 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1jdh h SER 184 CO -0.01 0.10 -0.31 0.03 -0.87 0.00 0.00 176.83 175.77 1jdh h ARG 185 N 0.00 -0.84 -0.98 4.77 3.08 -0.40 -2.53 114.38 117.47 1jdh h ARG 185 Ca -0.00 0.06 0.16 0.00 0.07 0.00 0.00 59.98 60.27 1jdh h ARG 185 Cb 0.69 0.19 -0.10 0.00 0.08 0.00 0.00 29.97 30.83 1jdh h ARG 185 CO 0.01 -0.53 0.59 1.25 -1.07 0.00 0.00 179.97 180.23 1jdh h HIS 186 N -0.99 1.05 -0.74 3.04 2.76 -1.59 0.22 115.15 118.90 1jdh h HIS 186 Ca -0.09 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.10 1jdh h HIS 186 Cb 0.70 -0.32 -0.04 0.00 1.55 0.00 0.00 27.41 29.31 1jdh h HIS 186 CO -0.01 0.29 0.40 0.00 -1.30 0.00 0.00 177.93 177.31 1jdh h ALA 187 N 1.60 1.31 -0.02 5.26 0.00 -1.62 -0.44 119.26 125.35 1jdh h ALA 187 Ca 0.54 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1jdh h ALA 187 Cb 0.74 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1jdh h ALA 187 CO -0.35 0.56 -0.09 0.82 0.00 0.00 0.00 179.25 180.20 1jdh h ILE 188 N 1.03 1.51 -0.56 0.00 2.04 -0.41 -3.24 117.51 117.89 1jdh h ILE 188 Ca 0.26 -1.62 0.06 0.00 1.00 0.00 0.00 64.86 64.56 1jdh h ILE 188 Cb 0.03 2.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.62 1jdh h ILE 188 CO -0.04 0.43 0.37 0.24 0.00 0.00 0.00 178.15 179.16 1jdh h MET 189 N -0.54 0.50 -0.00 2.37 2.86 -0.48 -1.79 114.93 117.85 1jdh h MET 189 Ca -0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1jdh h MET 189 Cb 0.75 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1jdh h MET 189 CO 0.02 0.33 -0.01 0.54 1.06 0.00 0.00 176.91 178.85 1jdh n ARG 190 N -4.47 0.54 -3.46 1.72 3.00 -0.19 -4.65 116.66 109.14 1jdh n ARG 190 Ca 0.08 -0.01 -0.43 0.00 -0.01 0.00 0.00 57.85 57.47 1jdh n ARG 190 Cb 0.25 -1.50 -0.07 0.00 0.00 0.00 0.00 32.46 31.14 1jdh n ARG 190 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1jdh s SER 191 N -2.47 5.91 0.28 0.55 0.01 -0.67 -4.95 113.70 112.35 1jdh s SER 191 Ca 0.32 -1.82 0.01 0.00 1.31 0.00 0.00 55.95 55.77 1jdh s SER 191 Cb 0.21 -2.09 0.57 0.00 0.21 0.00 0.00 66.02 64.92 1jdh s SER 191 CO 0.45 -0.75 1.81 -0.65 0.41 0.00 0.00 173.24 174.51 1jdh h PRO 192 N 8.63 0.86 -0.19 12.44 0.11 -1.84 -1.32 132.00 150.69 1jdh h PRO 192 Ca -0.25 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.69 1jdh h PRO 192 Cb 1.09 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 1jdh h PRO 192 CO 0.92 0.57 -0.39 1.96 -0.21 0.00 0.00 178.00 180.85 1jdh h GLN 193 N 0.88 0.42 0.46 1.05 7.50 -1.94 -2.19 115.11 121.29 1jdh h GLN 193 Ca 0.50 -0.20 -0.02 0.00 0.50 0.00 0.00 58.65 59.43 1jdh h GLN 193 Cb 0.58 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.12 1jdh h GLN 193 CO -0.30 0.75 -0.22 1.98 -1.50 0.00 0.00 178.83 179.54 1jdh h MET 194 N 0.35 -0.60 -0.57 1.46 4.05 -1.58 -1.95 114.93 116.09 1jdh h MET 194 Ca 0.03 0.04 0.07 0.00 -0.28 0.00 0.00 59.70 59.56 1jdh h MET 194 Cb 0.85 0.14 -0.06 0.00 -0.80 0.00 0.00 31.60 31.73 1jdh h MET 194 CO 0.07 -0.32 0.26 0.28 0.23 0.00 0.00 176.91 177.44 1jdh h VAL 195 N -0.81 0.88 -0.98 -5.77 2.07 -1.39 -0.65 116.25 109.60 1jdh h VAL 195 Ca -0.06 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1jdh h VAL 195 Cb 0.56 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 1jdh h VAL 195 CO 0.10 0.09 0.63 0.28 0.02 0.00 0.00 177.57 178.69 1jdh h SER 196 N 0.49 1.14 -0.28 0.57 0.02 -1.38 -0.02 113.55 114.09 1jdh h SER 196 Ca 0.27 -0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 61.06 1jdh h SER 196 Cb 0.25 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1jdh h SER 196 CO -0.22 0.84 -0.23 0.00 -1.14 0.00 0.00 176.83 176.08 1jdh h ALA 197 N 1.36 0.88 -0.33 3.77 0.00 -0.60 -0.18 119.26 124.16 1jdh h ALA 197 Ca 0.36 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1jdh h ALA 197 Cb -0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1jdh h ALA 197 CO -0.07 0.63 0.03 0.82 0.00 0.00 0.00 179.25 180.66 1jdh h ILE 198 N 0.66 1.24 -0.44 0.00 2.04 -0.36 -1.41 117.51 119.25 1jdh h ILE 198 Ca 0.09 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 1jdh h ILE 198 Cb 0.74 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1jdh h ILE 198 CO 0.06 0.29 0.14 0.58 0.00 0.00 0.00 178.15 179.22 1jdh h VAL 199 N 0.39 1.22 -0.36 1.67 2.07 -0.89 -2.01 116.25 118.34 1jdh h VAL 199 Ca 0.10 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1jdh h VAL 199 Cb 0.39 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1jdh h VAL 199 CO 0.01 0.26 0.09 0.03 0.02 0.00 0.00 177.57 177.98 1jdh h ARG 200 N 0.57 0.58 -0.38 1.57 3.08 -0.97 -2.99 114.38 115.83 1jdh h ARG 200 Ca 0.14 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jdh h ARG 200 Cb 0.26 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1jdh h ARG 200 CO -0.00 0.63 0.22 1.15 -1.07 0.00 0.00 179.97 180.89 1jdh h THR 201 N 0.43 1.13 -0.19 2.04 2.02 -1.20 -1.96 112.91 115.19 1jdh h THR 201 Ca 0.11 -0.33 0.05 0.00 0.77 0.00 0.00 66.41 67.02 1jdh h THR 201 Cb 0.31 0.66 -0.06 0.00 -1.74 0.00 0.00 68.15 67.31 1jdh h THR 201 CO 0.00 0.14 -0.23 -0.03 0.37 0.00 0.00 175.52 175.77 1jdh h MET 202 N 0.50 -0.25 0.00 6.66 1.85 -1.29 0.21 114.93 122.61 1jdh h MET 202 Ca 0.14 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.24 1jdh h MET 202 Cb 0.02 0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.11 1jdh h MET 202 CO -0.02 -0.17 0.00 0.00 -0.40 0.00 0.00 176.91 176.32 1jdh n GLN 203 N -5.36 0.20 -0.06 0.39 10.64 -1.14 -3.90 117.38 118.15 1jdh n GLN 203 Ca -0.02 0.20 -0.02 0.00 -1.83 0.00 0.00 57.00 55.33 1jdh n GLN 203 Cb 0.28 -1.74 -0.14 0.00 -0.86 0.00 0.00 30.24 27.77 1jdh n GLN 203 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1jdh n ASN 204 N -2.09 0.80 -4.73 2.61 3.02 -0.74 -5.02 115.26 109.11 1jdh n ASN 204 Ca 0.05 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.26 1jdh n ASN 204 Cb 0.38 1.24 0.09 0.00 -0.61 0.00 0.00 39.78 40.88 1jdh n ASN 204 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1jdh s THR 205 N -2.71 2.36 -0.87 3.41 -1.32 0.71 -4.94 115.64 112.28 1jdh s THR 205 Ca -0.08 0.18 0.07 0.00 -1.21 0.00 0.00 61.69 60.66 1jdh s THR 205 Cb 0.07 -2.78 0.04 0.00 -1.51 0.00 0.00 72.50 68.32 1jdh s THR 205 CO 0.72 -0.09 0.68 0.59 -2.21 0.00 0.00 174.62 174.31 1jdh n ASN 206 N -2.59 1.47 -4.64 8.08 5.03 -1.26 -4.95 115.26 116.39 1jdh n ASN 206 Ca 0.13 -1.23 -0.39 0.00 0.87 0.00 0.00 54.58 53.96 1jdh n ASN 206 Cb 0.50 0.12 -0.08 0.00 -1.02 0.00 0.00 39.78 39.31 1jdh n ASN 206 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1jdh s ASP 207 N -0.75 6.40 0.34 6.41 -1.08 -1.26 -4.98 116.67 121.75 1jdh s ASP 207 Ca 0.08 0.48 0.02 0.00 -0.52 0.00 0.00 52.55 52.61 1jdh s ASP 207 Cb 0.06 -2.24 0.62 0.00 -1.46 0.00 0.00 42.92 39.90 1jdh s ASP 207 CO 0.12 -0.15 1.98 -0.37 0.52 0.00 0.00 175.17 177.27 1jdh h VAL 208 N 5.19 1.17 -0.18 1.11 -1.51 -1.99 -1.06 116.25 118.99 1jdh h VAL 208 Ca -0.33 -0.40 -0.15 0.00 -1.23 0.00 0.00 66.70 64.59 1jdh h VAL 208 Cb 1.16 0.37 -0.01 0.00 -2.13 0.00 0.00 31.29 30.68 1jdh h VAL 208 CO 0.70 0.18 -0.51 -0.33 -1.23 0.00 0.00 177.57 176.39 1jdh h GLU 209 N 0.80 0.49 -0.33 5.19 3.07 -1.98 -0.72 114.58 121.09 1jdh h GLU 209 Ca 0.21 -0.29 -0.16 0.00 -0.50 0.00 0.00 59.36 58.62 1jdh h GLU 209 Cb -0.01 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1jdh h GLU 209 CO -0.04 0.88 -0.42 1.15 -1.40 0.00 0.00 179.01 179.18 1jdh h THR 210 N 0.38 1.28 -0.35 1.13 2.02 -1.77 0.27 112.91 115.87 1jdh h THR 210 Ca 0.02 -1.60 -0.02 0.00 0.77 0.00 0.00 66.41 65.58 1jdh h THR 210 Cb 1.02 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.88 1jdh h THR 210 CO 0.09 0.53 0.15 0.00 0.37 0.00 0.00 175.52 176.66 1jdh h ALA 211 N 0.84 0.46 -0.15 6.16 0.00 -1.08 -1.32 119.26 124.16 1jdh h ALA 211 Ca 0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1jdh h ALA 211 Cb 1.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1jdh h ALA 211 CO 0.10 0.05 0.09 -0.09 0.00 0.00 0.00 179.25 179.39 1jdh h ARG 212 N 0.43 0.21 -0.54 0.00 2.43 -0.96 -1.41 114.38 114.55 1jdh h ARG 212 Ca 0.12 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1jdh h ARG 212 Cb 0.17 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1jdh h ARG 212 CO -0.01 0.21 0.15 0.00 -1.51 0.00 0.00 179.97 178.81 1jdh h THR 214 N 0.74 1.30 -0.54 0.00 1.35 -1.23 -0.70 112.91 113.83 1jdh h THR 214 Ca 0.17 -1.80 -0.11 0.00 -0.55 0.00 0.00 66.41 64.12 1jdh h THR 214 Cb 0.30 1.74 -0.02 0.00 -1.73 0.00 0.00 68.15 68.44 1jdh h THR 214 CO -0.00 0.57 -0.10 0.00 -0.25 0.00 0.00 175.52 175.75 1jdh h ALA 215 N 0.80 0.80 -0.20 6.62 0.00 -1.21 -1.75 119.26 124.32 1jdh h ALA 215 Ca 0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 1jdh h ALA 215 Cb 1.17 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1jdh h ALA 215 CO 0.12 0.67 -0.28 0.78 0.00 0.00 0.00 179.25 180.54 1jdh h GLY 216 N 0.95 0.41 0.84 0.00 0.00 -0.90 -1.32 103.07 103.05 1jdh h GLY 216 Ca 0.14 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 1jdh h GLY 216 CO 0.05 0.31 0.04 -0.84 0.00 0.00 0.00 176.54 176.10 1jdh h THR 217 N 0.33 1.20 -0.81 4.70 2.02 -0.78 -1.47 112.91 118.11 1jdh h THR 217 Ca 0.05 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.56 1jdh h THR 217 Cb 0.67 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 68.34 1jdh h THR 217 CO 0.05 0.20 0.42 -0.07 0.37 0.00 0.00 175.52 176.49 1jdh h LEU 218 N 0.09 1.04 -0.58 2.58 3.38 -1.14 -1.66 115.31 119.02 1jdh h LEU 218 Ca 0.05 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1jdh h LEU 218 Cb 0.26 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1jdh h LEU 218 CO 0.00 0.86 0.36 -0.74 0.09 0.00 0.00 178.44 179.01 1jdh h HIS 219 N 1.14 0.69 0.00 1.13 2.76 -1.04 -1.23 115.15 118.59 1jdh h HIS 219 Ca 0.28 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.44 1jdh h HIS 219 Cb 0.07 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 28.80 1jdh h HIS 219 CO 0.01 0.40 -0.14 -0.91 -1.30 0.00 0.00 177.93 175.99 1jdh h ASN 220 N 0.73 0.00 1.87 3.26 2.35 -0.62 -1.92 115.58 121.25 1jdh h ASN 220 Ca 0.23 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 1jdh h ASN 220 Cb -0.01 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 1jdh h ASN 220 CO -0.08 0.14 -0.13 -0.07 -1.65 0.00 0.00 177.43 175.64 1jdh h LEU 221 N 0.00 0.00 0.00 1.61 3.38 -0.41 -3.31 115.31 116.58 1jdh h LEU 221 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jdh h LEU 221 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1jdh h LEU 221 CO 0.02 0.11 0.00 -1.54 0.09 0.00 0.00 178.44 177.12 1jdh n SER 222 N -3.12 0.00 -0.23 -0.43 3.41 -0.56 -3.00 113.62 109.69 1jdh n SER 222 Ca 0.03 -0.55 0.14 0.00 -0.26 0.00 0.00 58.87 58.24 1jdh n SER 222 Cb 0.58 -0.02 0.59 0.00 -0.26 0.00 0.00 64.21 65.10 1jdh n SER 222 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1jdh n HIS 223 N -1.02 0.00 -4.47 7.33 8.25 -1.25 -4.71 115.22 119.36 1jdh n HIS 223 Ca 0.14 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.39 1jdh n HIS 223 Cb 0.07 -0.09 -0.14 0.00 1.12 0.00 0.00 29.99 30.94 1jdh n HIS 223 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1jdh s HIS 224 N -2.28 1.20 0.22 4.41 3.76 -1.16 -5.04 115.29 116.41 1jdh s HIS 224 Ca 0.33 -0.29 -0.08 0.00 -0.15 0.00 0.00 55.06 54.87 1jdh s HIS 224 Cb 0.20 -0.74 0.35 0.00 1.11 0.00 0.00 32.58 33.50 1jdh s HIS 224 CO 0.43 0.01 1.70 0.07 -0.85 0.00 0.00 174.74 176.10 1jdh h ARG 225 N 5.36 0.28 -0.69 1.40 -0.00 -1.88 0.12 114.38 118.97 1jdh h ARG 225 Ca -0.36 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.98 59.60 1jdh h ARG 225 Cb 1.17 -0.06 -0.03 0.00 -0.00 0.00 0.00 29.97 31.05 1jdh h ARG 225 CO 0.46 0.18 0.41 1.49 -0.00 0.00 0.00 179.97 182.52 1jdh h GLU 226 N 0.29 0.93 -0.15 0.08 4.81 -1.96 -0.34 114.58 118.23 1jdh h GLU 226 Ca 0.35 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.45 1jdh h GLU 226 Cb 0.54 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1jdh h GLU 226 CO -0.43 0.65 -0.10 0.78 -0.73 0.00 0.00 179.01 179.18 1jdh h GLY 227 N 0.98 0.36 0.71 1.92 0.00 -1.03 -2.21 103.07 103.80 1jdh h GLY 227 Ca 0.25 -0.34 0.05 0.00 0.00 0.00 0.00 47.33 47.29 1jdh h GLY 227 CO -0.05 0.31 0.36 1.41 0.00 0.00 0.00 176.54 178.58 1jdh h LEU 228 N -0.02 0.54 -0.24 3.11 3.38 -0.45 -0.57 115.31 121.06 1jdh h LEU 228 Ca 0.03 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1jdh h LEU 228 Cb 0.60 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1jdh h LEU 228 CO 0.03 0.36 0.11 0.25 0.09 0.00 0.00 178.44 179.28 1jdh h LEU 229 N 0.68 0.32 -0.57 1.67 5.85 -1.05 -0.66 115.31 121.55 1jdh h LEU 229 Ca 0.29 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1jdh h LEU 229 Cb 0.16 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1jdh h LEU 229 CO -0.17 0.37 0.36 0.00 -0.34 0.00 0.00 178.44 178.66 1jdh h ALA 230 N 0.97 0.72 -0.34 1.25 0.00 -1.00 0.22 119.26 121.08 1jdh h ALA 230 Ca 0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jdh h ALA 230 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1jdh h ALA 230 CO -0.01 0.18 0.21 0.82 0.00 0.00 0.00 179.25 180.45 1jdh h ILE 231 N 0.77 1.11 0.13 0.00 2.04 -0.97 -1.43 117.51 119.16 1jdh h ILE 231 Ca 0.21 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 1jdh h ILE 231 Cb -0.06 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1jdh h ILE 231 CO -0.04 0.11 -0.08 0.15 0.00 0.00 0.00 178.15 178.29 1jdh h PHE 232 N 0.44 -0.21 0.00 1.37 -0.00 -0.52 0.82 116.94 118.84 1jdh h PHE 232 Ca 0.12 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.09 1jdh h PHE 232 Cb 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 35.95 36.03 1jdh h PHE 232 CO -0.04 -0.13 0.00 0.87 -0.00 0.00 0.00 178.31 179.01 1jdh h LYS 233 N -0.21 0.00 -0.64 1.11 1.79 -0.50 -3.05 116.57 115.08 1jdh h LYS 233 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1jdh h LYS 233 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1jdh h LYS 233 CO 0.01 0.00 0.00 0.43 -1.08 0.00 0.00 179.45 178.81 1jdh n SER 234 N -2.38 4.89 -0.49 0.86 7.64 -0.55 -4.91 113.62 118.68 1jdh n SER 234 Ca 0.02 -2.60 -0.05 0.00 1.01 0.00 0.00 58.87 57.25 1jdh n SER 234 Cb 0.26 -0.61 -0.01 0.00 -1.01 0.00 0.00 64.21 62.84 1jdh n SER 234 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jdh n GLY 235 N 0.89 0.48 0.25 0.23 0.00 -1.15 -4.82 105.19 101.07 1jdh n GLY 235 Ca 0.25 -0.75 -0.01 0.00 0.00 0.00 0.00 46.02 45.51 1jdh n GLY 235 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jdh h GLY 236 N 0.00 0.47 0.89 -0.02 0.00 -1.00 -3.17 103.07 100.24 1jdh h GLY 236 Ca -0.11 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1jdh h GLY 236 CO 0.15 0.31 0.01 -2.22 0.00 0.00 0.00 176.54 174.79 1jdh h ILE 237 N 0.40 1.10 -0.58 2.60 2.04 -1.85 0.19 117.51 121.42 1jdh h ILE 237 Ca 0.07 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1jdh h ILE 237 Cb 0.50 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 1jdh h ILE 237 CO 0.03 0.08 0.31 -0.65 0.00 0.00 0.00 178.15 177.92 1jdh h PRO 238 N -0.08 0.79 -0.16 2.37 0.11 -1.90 0.30 132.00 133.43 1jdh h PRO 238 Ca 0.01 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 1jdh h PRO 238 Cb 0.12 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 1jdh h PRO 238 CO -0.00 0.58 0.03 0.00 -0.21 0.00 0.00 178.00 178.40 1jdh h ALA 239 N 1.55 0.21 -0.65 -0.75 0.00 -1.46 -1.85 119.26 116.31 1jdh h ALA 239 Ca 0.21 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1jdh h ALA 239 Cb 0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1jdh h ALA 239 CO -0.03 -0.13 0.23 -0.07 0.00 0.00 0.00 179.25 179.25 1jdh h LEU 240 N 0.05 0.92 -0.96 0.00 3.38 -0.17 -1.79 115.31 116.73 1jdh h LEU 240 Ca 0.05 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1jdh h LEU 240 Cb 0.30 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1jdh h LEU 240 CO 0.00 0.86 0.60 0.58 0.09 0.00 0.00 178.44 180.57 1jdh h VAL 241 N 0.92 1.26 -0.69 1.22 2.07 -0.87 -1.15 116.25 119.01 1jdh h VAL 241 Ca 0.21 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1jdh h VAL 241 Cb 0.25 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 29.87 1jdh h VAL 241 CO -0.01 0.27 0.31 0.50 0.02 0.00 0.00 177.57 178.65 1jdh h LYS 242 N 1.32 1.00 0.00 1.57 3.64 -0.94 -1.72 116.57 121.45 1jdh h LYS 242 Ca 0.35 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1jdh h LYS 242 Cb -0.08 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.56 1jdh h LYS 242 CO -0.07 0.79 0.00 0.52 -2.27 0.00 0.00 179.45 178.42 1jdh h MET 243 N 0.99 0.00 0.00 1.90 2.86 -0.35 -1.71 114.93 118.61 1jdh h MET 243 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1jdh h MET 243 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1jdh h MET 243 CO -0.03 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.22 1jdh n LEU 244 N -2.89 0.20 -0.79 1.22 4.77 -0.64 -1.17 117.00 117.70 1jdh n LEU 244 Ca -0.01 0.56 0.12 0.00 -0.03 0.00 0.00 56.01 56.65 1jdh n LEU 244 Cb 0.18 -0.55 0.30 0.00 -2.33 0.00 0.00 43.42 41.02 1jdh n LEU 244 CO 0.22 -0.44 0.74 0.61 -1.33 0.00 0.00 177.39 177.18 1jdh n GLY 245 N -0.49 0.75 3.76 -0.72 0.00 -0.64 -4.96 105.19 102.89 1jdh n GLY 245 Ca 0.02 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 1jdh n GLY 245 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jdh s SER 246 N -1.77 6.77 0.00 1.61 0.15 -0.31 -4.93 113.70 115.22 1jdh s SER 246 Ca 0.34 2.66 0.31 0.00 0.70 0.00 0.00 55.95 59.96 1jdh s SER 246 Cb 0.20 -2.64 1.67 0.00 -1.71 0.00 0.00 66.02 63.54 1jdh s SER 246 CO 0.30 -0.56 2.12 -0.81 1.20 0.00 0.00 173.24 175.49 1jdh n PRO 247 N 1.23 0.70 -3.91 5.44 -0.04 -1.26 -4.76 135.00 132.40 1jdh n PRO 247 Ca 0.02 -0.02 -0.35 0.00 -0.04 0.00 0.00 63.50 63.10 1jdh n PRO 247 Cb 0.42 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.27 1jdh n PRO 247 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1jdh s VAL 248 N -2.32 4.72 0.12 0.52 0.11 -1.26 -5.02 120.40 117.27 1jdh s VAL 248 Ca 0.37 -0.05 -0.24 0.00 -2.93 0.00 0.00 61.98 59.12 1jdh s VAL 248 Cb 0.21 -3.16 -0.05 0.00 -1.53 0.00 0.00 36.38 31.85 1jdh s VAL 248 CO 0.42 0.41 1.65 0.44 -3.33 0.00 0.00 175.10 174.69 1jdh h ASP 249 N 7.26 -0.62 -0.95 3.54 3.45 -1.99 -2.11 116.42 125.00 1jdh h ASP 249 Ca -0.37 0.09 0.18 0.00 0.43 0.00 0.00 57.03 57.36 1jdh h ASP 249 Cb 1.17 0.26 -0.10 0.00 -0.56 0.00 0.00 39.33 40.10 1jdh h ASP 249 CO 0.65 -0.27 0.55 0.77 -1.57 0.00 0.00 179.24 179.37 1jdh h SER 250 N -0.32 0.68 -0.19 6.45 4.64 -1.99 0.16 113.55 122.99 1jdh h SER 250 Ca 0.07 0.10 -0.04 0.00 -0.47 0.00 0.00 61.79 61.44 1jdh h SER 250 Cb 0.41 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1jdh h SER 250 CO -0.21 0.25 -0.04 0.58 -0.87 0.00 0.00 176.83 176.54 1jdh h VAL 251 N 0.71 1.29 -0.65 0.95 2.07 -1.86 -2.05 116.25 116.69 1jdh h VAL 251 Ca 0.54 -1.01 0.02 0.00 0.82 0.00 0.00 66.70 67.06 1jdh h VAL 251 Cb 0.82 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 1jdh h VAL 251 CO -0.38 0.31 0.42 -0.07 0.02 0.00 0.00 177.57 177.86 1jdh h LEU 252 N 0.08 0.71 -0.44 2.57 3.38 -0.49 -1.37 115.31 119.74 1jdh h LEU 252 Ca 0.05 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1jdh h LEU 252 Cb 0.48 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1jdh h LEU 252 CO 0.02 0.50 0.12 -0.26 0.09 0.00 0.00 178.44 178.91 1jdh h PHE 253 N 0.84 0.72 -0.62 1.13 0.04 -0.71 0.09 116.94 118.42 1jdh h PHE 253 Ca 0.25 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.93 1jdh h PHE 253 Cb -0.05 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 37.87 1jdh h PHE 253 CO -0.04 0.66 0.34 1.88 -0.60 0.00 0.00 178.31 180.55 1jdh h TYR 254 N 0.57 0.85 0.28 -0.55 0.99 -1.18 -1.90 116.97 116.04 1jdh h TYR 254 Ca 0.14 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.84 1jdh h TYR 254 Cb 0.29 -0.27 0.00 0.00 1.00 0.00 0.00 36.73 37.75 1jdh h TYR 254 CO 0.02 0.61 -0.14 0.00 -0.00 0.00 0.00 178.16 178.65 1jdh h ALA 255 N 1.16 -0.38 -0.48 3.88 0.00 -0.99 -1.12 119.26 121.33 1jdh h ALA 255 Ca 0.22 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1jdh h ALA 255 Cb 0.04 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1jdh h ALA 255 CO -0.04 -0.64 -0.03 0.97 0.00 0.00 0.00 179.25 179.51 1jdh h ILE 256 N -0.52 1.25 -0.36 0.00 6.09 -0.98 -0.17 117.51 122.81 1jdh h ILE 256 Ca -0.04 -1.06 -0.14 0.00 -1.37 0.00 0.00 64.86 62.25 1jdh h ILE 256 Cb 0.39 0.91 -0.01 0.00 0.47 0.00 0.00 36.82 38.58 1jdh h ILE 256 CO 0.06 0.37 -0.34 0.71 -3.07 0.00 0.00 178.15 175.89 1jdh h THR 257 N 0.75 1.28 -0.30 2.19 1.35 -1.33 -0.42 112.91 116.43 1jdh h THR 257 Ca 0.14 -1.50 -0.15 0.00 -0.55 0.00 0.00 66.41 64.35 1jdh h THR 257 Cb 0.50 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.26 1jdh h THR 257 CO 0.02 0.50 -0.42 0.74 -0.25 0.00 0.00 175.52 176.11 1jdh h THR 258 N 0.69 1.29 -0.61 6.82 2.02 -1.02 -1.87 112.91 120.23 1jdh h THR 258 Ca 0.07 -1.60 -0.06 0.00 0.77 0.00 0.00 66.41 65.59 1jdh h THR 258 Cb 0.89 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 1jdh h THR 258 CO 0.08 0.52 0.14 -0.07 0.37 0.00 0.00 175.52 176.56 1jdh h LEU 259 N 0.60 0.92 -0.76 2.58 3.38 -0.83 -1.37 115.31 119.84 1jdh h LEU 259 Ca 0.04 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.80 1jdh h LEU 259 Cb 0.97 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 1jdh h LEU 259 CO 0.09 0.92 0.49 -0.74 0.09 0.00 0.00 178.44 179.29 1jdh h HIS 260 N 0.89 0.93 -0.78 1.13 2.76 -0.86 0.56 115.15 119.77 1jdh h HIS 260 Ca 0.19 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.35 1jdh h HIS 260 Cb 0.36 -0.31 -0.04 0.00 1.55 0.00 0.00 27.41 28.97 1jdh h HIS 260 CO 0.03 0.56 0.37 -0.91 -1.30 0.00 0.00 177.93 176.68 1jdh h ASN 261 N 0.99 1.03 -0.29 3.26 2.35 -0.95 -0.91 115.58 121.05 1jdh h ASN 261 Ca 0.29 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 1jdh h ASN 261 Cb -0.06 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.03 1jdh h ASN 261 CO -0.08 0.88 0.09 -0.07 -1.65 0.00 0.00 177.43 176.60 1jdh h LEU 262 N 1.11 0.42 -1.35 1.61 3.38 -0.51 -2.00 115.31 117.97 1jdh h LEU 262 Ca 0.27 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1jdh h LEU 262 Cb 0.12 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1jdh h LEU 262 CO -0.03 0.50 0.21 -0.07 0.09 0.00 0.00 178.44 179.14 1jdh h LEU 263 N 0.31 0.59 0.02 1.67 3.38 -0.58 0.14 115.31 120.84 1jdh h LEU 263 Ca 0.09 -0.05 -0.22 0.00 0.09 0.00 0.00 57.88 57.79 1jdh h LEU 263 Cb 0.23 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 40.85 1jdh h LEU 263 CO -0.00 0.52 -0.88 -0.07 0.09 0.00 0.00 178.44 178.09 1jdh h LEU 264 N 0.66 0.74 -0.69 1.67 3.38 -1.03 -3.42 115.31 116.62 1jdh h LEU 264 Ca 0.16 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1jdh h LEU 264 Cb 0.09 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1jdh h LEU 264 CO -0.02 1.41 -0.01 1.41 0.09 0.00 0.00 178.44 181.32 1jdh n HIS 265 N -4.01 0.00 -3.66 1.13 8.25 -0.77 -4.99 115.22 111.18 1jdh n HIS 265 Ca -0.11 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.96 1jdh n HIS 265 Cb 0.81 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.80 1jdh n HIS 265 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1jdh s GLN 266 N -0.40 2.95 0.13 -0.41 2.00 0.49 -5.05 119.66 119.38 1jdh s GLN 266 Ca 0.01 -0.98 -0.32 0.00 -2.00 0.00 0.00 55.36 52.07 1jdh s GLN 266 Cb 0.01 -3.60 -0.12 0.00 0.80 0.00 0.00 33.01 30.10 1jdh s GLN 266 CO 0.02 -0.59 1.76 -1.91 -0.50 0.00 0.00 175.29 174.07 1jdh n GLU 267 N 4.95 2.61 -0.00 1.67 4.07 -1.26 -1.21 120.64 131.46 1jdh n GLU 267 Ca -0.13 0.95 0.00 0.00 -0.06 0.00 0.00 57.16 57.92 1jdh n GLU 267 Cb 0.47 -2.80 0.00 0.00 -0.06 0.00 0.00 31.44 29.05 1jdh n GLU 267 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1jdh n GLY 268 N 4.02 0.14 0.29 8.31 0.00 -1.26 -4.96 105.19 111.72 1jdh n GLY 268 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 1jdh n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdh h ALA 269 N 0.00 0.69 0.13 4.61 0.00 -1.43 -2.81 119.26 120.45 1jdh h ALA 269 Ca 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1jdh h ALA 269 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1jdh h ALA 269 CO 0.00 0.66 -0.16 0.87 0.00 0.00 0.00 179.25 180.63 1jdh h LYS 270 N 0.87 -0.31 -0.52 0.00 1.57 -1.88 -0.70 116.57 115.59 1jdh h LYS 270 Ca 0.12 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.96 1jdh h LYS 270 Cb 0.76 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.10 1jdh h LYS 270 CO 0.06 -0.21 0.28 1.98 -0.57 0.00 0.00 179.45 181.00 1jdh h MET 271 N -0.33 0.54 -0.76 3.15 4.05 -1.97 -1.25 114.93 118.36 1jdh h MET 271 Ca 0.01 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1jdh h MET 271 Cb 0.32 -0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 30.96 1jdh h MET 271 CO -0.06 0.35 0.48 0.00 0.23 0.00 0.00 176.91 177.91 1jdh h ALA 272 N 1.26 0.97 -0.49 0.39 0.00 -1.25 -0.17 119.26 119.97 1jdh h ALA 272 Ca 0.22 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1jdh h ALA 272 Cb 0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1jdh h ALA 272 CO -0.14 0.41 0.04 0.28 0.00 0.00 0.00 179.25 179.85 1jdh h VAL 273 N 1.04 1.26 -0.10 0.00 2.07 -0.63 0.19 116.25 120.08 1jdh h VAL 273 Ca 0.28 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1jdh h VAL 273 Cb -0.07 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1jdh h VAL 273 CO -0.06 0.35 0.06 0.03 0.02 0.00 0.00 177.57 177.98 1jdh h ARG 274 N 0.70 0.12 -0.90 1.57 3.08 -0.87 0.43 114.38 118.51 1jdh h ARG 274 Ca 0.14 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1jdh h ARG 274 Cb 0.45 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 1jdh h ARG 274 CO 0.02 0.08 0.54 -0.07 -1.07 0.00 0.00 179.97 179.46 1jdh h LEU 275 N 0.13 1.08 0.00 3.04 3.38 -0.85 -1.99 115.31 120.10 1jdh h LEU 275 Ca 0.04 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1jdh h LEU 275 Cb -0.01 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1jdh h LEU 275 CO -0.01 0.83 0.00 0.00 0.09 0.00 0.00 178.44 179.35 1jdh n ALA 276 N -2.38 1.61 -0.83 1.53 0.00 0.04 -4.85 120.51 115.63 1jdh n ALA 276 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1jdh n ALA 276 Cb 0.06 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1jdh n ALA 276 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jdh n GLY 277 N -0.19 0.75 0.33 0.00 0.00 -0.75 -4.94 105.19 100.39 1jdh n GLY 277 Ca 0.04 -0.64 -0.05 0.00 0.00 0.00 0.00 46.02 45.37 1jdh n GLY 277 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jdh h GLY 278 N 0.00 1.21 0.33 -0.02 0.00 -1.10 -2.85 103.07 100.64 1jdh h GLY 278 Ca 0.00 -0.56 0.07 0.00 0.00 0.00 0.00 47.33 46.84 1jdh h GLY 278 CO 0.00 0.54 -0.07 1.41 0.00 0.00 0.00 176.54 178.41 1jdh h LEU 279 N 1.12 -0.29 -0.60 3.11 3.38 -1.86 0.99 115.31 121.16 1jdh h LEU 279 Ca 0.28 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.34 1jdh h LEU 279 Cb 0.05 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1jdh h LEU 279 CO -0.04 -0.10 0.35 1.56 0.09 0.00 0.00 178.44 180.29 1jdh h GLN 280 N 0.01 0.83 -0.43 1.13 7.50 -1.88 -1.76 115.11 120.50 1jdh h GLN 280 Ca 0.17 -0.09 -0.03 0.00 0.50 0.00 0.00 58.65 59.20 1jdh h GLN 280 Cb 0.25 -0.17 -0.02 0.00 0.05 0.00 0.00 27.48 27.59 1jdh h GLN 280 CO -0.35 0.61 0.16 0.87 -1.50 0.00 0.00 178.83 178.63 1jdh h LYS 281 N 0.82 0.66 -0.33 1.46 1.79 -1.18 -2.72 116.57 117.07 1jdh h LYS 281 Ca 0.21 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 58.54 1jdh h LYS 281 Cb 0.01 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 1jdh h LYS 281 CO -0.04 0.63 0.16 0.52 -1.08 0.00 0.00 179.45 179.63 1jdh h MET 282 N 0.56 0.47 -0.85 3.15 2.86 -0.60 -2.71 114.93 117.81 1jdh h MET 282 Ca 0.14 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.73 1jdh h MET 282 Cb 0.22 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.75 1jdh h MET 282 CO -0.01 0.43 0.56 0.28 1.06 0.00 0.00 176.91 179.23 1jdh h VAL 283 N 0.39 1.19 -0.01 -2.22 2.07 -1.30 -1.68 116.25 114.69 1jdh h VAL 283 Ca 0.11 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1jdh h VAL 283 Cb 0.12 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.86 1jdh h VAL 283 CO -0.01 0.20 0.01 0.00 0.02 0.00 0.00 177.57 177.79 1jdh h ALA 284 N 1.33 1.95 -0.00 1.67 0.00 -1.28 -1.75 119.26 121.18 1jdh h ALA 284 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1jdh h ALA 284 Cb -0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1jdh h ALA 284 CO -0.08 -0.02 -0.03 1.28 0.00 0.00 0.00 179.25 180.39 1jdh n LEU 285 N -4.45 0.12 0.00 0.00 4.77 -0.64 -3.90 117.00 112.91 1jdh n LEU 285 Ca -0.03 0.21 0.06 0.00 -0.03 0.00 0.00 56.01 56.23 1jdh n LEU 285 Cb 0.10 -0.26 0.31 0.00 -2.33 0.00 0.00 43.42 41.25 1jdh n LEU 285 CO 0.33 0.02 0.63 0.18 -1.33 0.00 0.00 177.39 177.23 1jdh n LEU 286 N -1.21 0.00 -0.60 2.23 4.77 -0.66 -1.33 117.00 120.20 1jdh n LEU 286 Ca 0.14 0.23 0.13 0.00 -0.03 0.00 0.00 56.01 56.49 1jdh n LEU 286 Cb 0.25 -0.23 0.42 0.00 -2.33 0.00 0.00 43.42 41.52 1jdh n LEU 286 CO 0.23 -0.14 0.81 -0.46 -1.33 0.00 0.00 177.39 176.50 1jdh n ASN 287 N -1.23 1.87 -4.73 -1.43 2.04 -1.25 -4.89 115.26 105.63 1jdh n ASN 287 Ca 0.06 -1.64 -0.30 0.00 -0.44 0.00 0.00 54.58 52.26 1jdh n ASN 287 Cb 0.09 -0.02 0.12 0.00 -2.53 0.00 0.00 39.78 37.44 1jdh n ASN 287 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1jdh s LYS 288 N -1.95 1.60 0.00 -3.83 -0.14 -0.44 -4.99 119.74 109.98 1jdh s LYS 288 Ca 0.35 1.02 0.07 0.00 -1.36 0.00 0.00 55.97 56.05 1jdh s LYS 288 Cb 0.20 -1.83 0.06 0.00 -1.68 0.00 0.00 37.83 34.58 1jdh s LYS 288 CO 0.32 -2.06 0.73 0.25 -0.76 0.00 0.00 175.35 173.82 1jdh n THR 289 N -3.79 0.00 -2.58 2.17 -2.24 -1.26 -4.94 114.28 101.65 1jdh n THR 289 Ca 0.08 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.93 1jdh n THR 289 Cb 0.54 1.14 -0.02 0.00 -2.10 0.00 0.00 70.33 69.89 1jdh n THR 289 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1jdh s ASN 290 N -0.59 6.58 0.50 3.42 3.84 -1.26 -4.91 114.94 122.52 1jdh s ASN 290 Ca 0.08 0.44 0.16 0.00 0.21 0.00 0.00 52.86 53.75 1jdh s ASN 290 Cb 0.06 -2.55 1.21 0.00 -0.55 0.00 0.00 41.25 39.42 1jdh s ASN 290 CO 0.09 -1.31 2.10 -0.37 -2.79 0.00 0.00 177.10 174.82 1jdh h VAL 291 N 6.25 0.97 -0.25 -5.21 -1.51 -1.99 -0.40 116.25 114.12 1jdh h VAL 291 Ca -0.24 -0.04 -0.15 0.00 -1.23 0.00 0.00 66.70 65.05 1jdh h VAL 291 Cb 1.06 0.85 -0.00 0.00 -2.13 0.00 0.00 31.29 31.07 1jdh h VAL 291 CO 1.13 0.02 -0.42 0.11 -1.23 0.00 0.00 177.57 177.19 1jdh h LYS 292 N 0.11 0.73 -0.28 5.19 1.57 -2.00 -1.51 116.57 120.40 1jdh h LYS 292 Ca 0.08 -0.45 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 1jdh h LYS 292 Cb 0.16 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1jdh h LYS 292 CO -0.01 1.07 0.14 0.35 -0.57 0.00 0.00 179.45 180.43 1jdh h PHE 293 N 0.47 0.40 -0.45 -1.35 3.04 -1.79 -2.40 116.94 114.84 1jdh h PHE 293 Ca 0.02 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.96 1jdh h PHE 293 Cb 1.01 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 39.38 1jdh h PHE 293 CO 0.08 0.36 0.30 -0.07 -2.02 0.00 0.00 178.31 176.96 1jdh h LEU 294 N 0.32 0.50 -0.56 0.59 3.38 -1.02 -0.42 115.31 118.10 1jdh h LEU 294 Ca 0.10 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 1jdh h LEU 294 Cb 0.11 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1jdh h LEU 294 CO -0.01 0.36 -0.15 0.00 0.09 0.00 0.00 178.44 178.73 1jdh h ALA 295 N 1.72 0.76 -0.16 1.53 0.00 -0.86 -0.31 119.26 121.95 1jdh h ALA 295 Ca 0.17 -0.36 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 1jdh h ALA 295 Cb -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1jdh h ALA 295 CO -0.04 0.67 -0.72 0.82 0.00 0.00 0.00 179.25 179.99 1jdh h ILE 296 N 0.88 1.30 -0.18 0.00 2.04 -0.94 -2.29 117.51 118.32 1jdh h ILE 296 Ca 0.13 -1.96 -0.02 0.00 1.00 0.00 0.00 64.86 64.00 1jdh h ILE 296 Cb 0.71 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 1jdh h ILE 296 CO 0.05 0.62 0.02 0.74 0.00 0.00 0.00 178.15 179.58 1jdh h THR 297 N 0.49 1.23 -0.34 -0.27 2.02 -0.99 -1.65 112.91 113.40 1jdh h THR 297 Ca -0.03 -0.76 -0.06 0.00 0.77 0.00 0.00 66.41 66.33 1jdh h THR 297 Cb 1.32 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 69.10 1jdh h THR 297 CO 0.14 0.23 -0.05 0.71 0.37 0.00 0.00 175.52 176.93 1jdh h THR 298 N 0.09 1.21 -0.25 3.16 1.35 -1.09 -2.14 112.91 115.24 1jdh h THR 298 Ca 0.05 -0.89 -0.12 0.00 -0.55 0.00 0.00 66.41 64.90 1jdh h THR 298 Cb 0.33 1.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.75 1jdh h THR 298 CO 0.00 0.30 -0.36 -0.78 -0.25 0.00 0.00 175.52 174.43 1jdh h ASP 299 N 0.51 0.57 -0.63 5.36 -0.00 -1.22 -1.31 116.42 119.70 1jdh h ASP 299 Ca 0.10 -0.24 0.03 0.00 -0.00 0.00 0.00 57.03 56.92 1jdh h ASP 299 Cb 0.40 -0.16 -0.04 0.00 -0.00 0.00 0.00 39.33 39.53 1jdh h ASP 299 CO 0.02 0.88 0.39 0.00 -0.00 0.00 0.00 179.24 180.53 1jdh h LEU 301 N 0.76 0.99 -0.35 0.00 3.38 -0.83 -1.65 115.31 117.60 1jdh h LEU 301 Ca 0.25 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 1jdh h LEU 301 Cb 0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1jdh h LEU 301 CO -0.10 0.75 0.08 -0.61 0.09 0.00 0.00 178.44 178.65 1jdh h GLN 302 N 1.14 0.57 -0.68 1.13 -0.00 -0.53 -0.37 115.11 116.36 1jdh h GLN 302 Ca 0.30 -0.14 -0.02 0.00 -0.00 0.00 0.00 58.65 58.79 1jdh h GLN 302 Cb -0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 27.48 27.32 1jdh h GLN 302 CO -0.06 0.62 0.35 0.82 0.00 0.00 0.00 178.83 180.56 1jdh h ILE 303 N 0.42 1.22 -0.04 2.39 2.04 -0.82 -1.81 117.51 120.91 1jdh h ILE 303 Ca 0.11 -0.59 -0.16 0.00 1.00 0.00 0.00 64.86 65.21 1jdh h ILE 303 Cb 0.31 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1jdh h ILE 303 CO 0.00 0.25 -0.71 -0.07 0.00 0.00 0.00 178.15 177.63 1jdh h LEU 304 N 0.94 0.26 0.00 1.44 3.38 -1.17 -3.32 115.31 116.84 1jdh h LEU 304 Ca 0.24 -0.17 -0.18 0.00 0.09 0.00 0.00 57.88 57.86 1jdh h LEU 304 Cb 0.08 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1jdh h LEU 304 CO -0.03 0.88 -1.21 0.00 0.09 0.00 0.00 178.44 178.17 1jdh h ALA 305 N 1.11 0.64 -1.85 1.53 0.00 -0.94 -3.44 119.26 116.31 1jdh h ALA 305 Ca -0.02 -0.86 -0.66 0.00 0.00 0.00 0.00 54.91 53.37 1jdh h ALA 305 Cb 1.26 0.18 0.03 0.00 0.00 0.00 0.00 17.79 19.26 1jdh h ALA 305 CO 0.11 0.99 0.87 0.98 0.00 0.00 0.00 179.25 182.20 1jdh n TYR 306 N -3.04 2.09 -1.57 0.00 4.19 -0.69 -1.18 117.16 116.96 1jdh n TYR 306 Ca -0.07 0.33 -0.20 0.00 3.31 0.00 0.00 57.90 61.27 1jdh n TYR 306 Cb 0.86 -2.52 -0.08 0.00 0.49 0.00 0.00 39.34 38.08 1jdh n TYR 306 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1jdh n GLY 307 N 3.85 1.87 2.74 2.98 0.00 -1.26 -4.94 105.19 110.43 1jdh n GLY 307 Ca 0.22 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 1jdh n GLY 307 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jdh s ASN 308 N -2.74 3.82 0.34 1.61 3.84 -0.33 -4.99 114.94 116.49 1jdh s ASN 308 Ca 0.00 -2.35 0.08 0.00 0.21 0.00 0.00 52.86 50.79 1jdh s ASN 308 Cb 0.00 -1.03 0.78 0.00 -0.55 0.00 0.00 41.25 40.44 1jdh s ASN 308 CO 0.00 -0.31 1.85 1.56 -2.79 0.00 0.00 177.10 177.41 1jdh h GLN 309 N 7.12 0.72 -0.63 0.43 4.20 -1.92 -1.93 115.11 123.09 1jdh h GLN 309 Ca -0.04 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 1jdh h GLN 309 Cb 0.95 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.55 1jdh h GLN 309 CO 0.48 0.47 0.15 0.93 -0.67 0.00 0.00 178.83 180.19 1jdh h GLU 310 N 0.74 1.01 -0.45 1.46 5.08 -1.94 -2.02 114.58 118.46 1jdh h GLU 310 Ca 0.48 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 1jdh h GLU 310 Cb 0.74 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1jdh h GLU 310 CO -0.24 0.92 -0.06 0.77 -1.00 0.00 0.00 179.01 179.39 1jdh h SER 311 N 0.93 0.76 -0.78 1.42 0.02 -1.68 -1.72 113.55 112.50 1jdh h SER 311 Ca 0.20 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 1jdh h SER 311 Cb 0.37 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 1jdh h SER 311 CO 0.00 0.87 0.29 0.11 -1.14 0.00 0.00 176.83 176.96 1jdh h LYS 312 N 0.72 1.18 -0.40 3.45 1.57 -1.19 -0.86 116.57 121.03 1jdh h LYS 312 Ca 0.13 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 1jdh h LYS 312 Cb 0.53 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1jdh h LYS 312 CO 0.03 0.97 -0.07 -0.07 -0.57 0.00 0.00 179.45 179.74 1jdh h LEU 313 N 1.14 0.66 -0.36 2.94 3.38 -0.98 -0.87 115.31 121.22 1jdh h LEU 313 Ca 0.26 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1jdh h LEU 313 Cb 0.25 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1jdh h LEU 313 CO -0.02 0.77 0.03 0.40 0.09 0.00 0.00 178.44 179.71 1jdh h ILE 314 N 0.63 1.25 -0.73 1.22 2.04 -0.68 -0.75 117.51 120.49 1jdh h ILE 314 Ca 0.12 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 65.07 1jdh h ILE 314 Cb 0.50 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 1jdh h ILE 314 CO 0.03 0.31 0.48 0.40 0.00 0.00 0.00 178.15 179.36 1jdh h ILE 315 N 0.44 1.17 -0.13 -0.67 2.04 -0.92 -1.46 117.51 117.98 1jdh h ILE 315 Ca 0.10 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.64 1jdh h ILE 315 Cb 0.41 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1jdh h ILE 315 CO 0.01 0.18 0.05 0.25 0.00 0.00 0.00 178.15 178.64 1jdh h LEU 316 N 0.97 0.06 -2.22 1.44 5.85 -0.89 0.38 115.31 120.91 1jdh h LEU 316 Ca 0.27 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 1jdh h LEU 316 Cb -0.09 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 1jdh h LEU 316 CO -0.07 0.06 -0.05 0.00 -0.34 0.00 0.00 178.44 178.04 1jdh h ALA 317 N 1.07 1.44 -0.17 1.25 0.00 -0.66 -1.69 119.26 120.50 1jdh h ALA 317 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jdh h ALA 317 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1jdh h ALA 317 CO -0.05 0.07 0.00 0.43 0.00 0.00 0.00 179.25 179.70 1jdh n SER 318 N -3.79 1.91 0.00 0.00 7.64 -0.59 -4.92 113.62 113.86 1jdh n SER 318 Ca -0.03 -1.73 0.00 0.00 1.01 0.00 0.00 58.87 58.13 1jdh n SER 318 Cb 0.15 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1jdh n SER 318 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jdh n GLY 319 N 1.19 0.50 0.15 0.23 0.00 -0.64 -4.79 105.19 101.83 1jdh n GLY 319 Ca 0.17 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 1jdh n GLY 319 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jdh h GLY 320 N 0.00 0.46 0.07 -0.02 0.00 -1.09 -3.08 103.07 99.41 1jdh h GLY 320 Ca 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 47.33 47.28 1jdh h GLY 320 CO 0.00 0.11 -0.16 -2.55 0.00 0.00 0.00 176.54 173.94 1jdh h PRO 321 N 0.37 -0.07 -0.74 4.80 0.11 -1.87 0.11 132.00 134.71 1jdh h PRO 321 Ca 0.14 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 1jdh h PRO 321 Cb 0.03 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.12 1jdh h PRO 321 CO -0.08 -0.05 0.41 0.37 -0.21 0.00 0.00 178.00 178.44 1jdh h GLN 322 N -0.07 1.03 -0.60 1.05 5.75 -1.83 -0.31 115.11 120.13 1jdh h GLN 322 Ca 0.20 -0.12 -0.08 0.00 -0.15 0.00 0.00 58.65 58.50 1jdh h GLN 322 Cb 0.38 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.70 1jdh h GLN 322 CO -0.46 0.77 0.05 0.00 -2.65 0.00 0.00 178.83 176.54 1jdh h ALA 323 N 1.21 0.96 -0.31 3.38 0.00 -1.34 -0.93 119.26 122.24 1jdh h ALA 323 Ca 0.26 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1jdh h ALA 323 Cb 0.04 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1jdh h ALA 323 CO -0.04 0.64 -0.32 -0.07 0.00 0.00 0.00 179.25 179.45 1jdh h LEU 324 N 0.93 0.82 -0.83 0.00 3.38 -0.68 -2.52 115.31 116.41 1jdh h LEU 324 Ca 0.18 -0.48 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 1jdh h LEU 324 Cb 0.47 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1jdh h LEU 324 CO 0.02 1.13 0.29 0.58 0.09 0.00 0.00 178.44 180.55 1jdh h VAL 325 N 0.53 1.26 -0.77 1.22 2.07 -0.93 -2.11 116.25 117.52 1jdh h VAL 325 Ca 0.05 -0.83 0.05 0.00 0.82 0.00 0.00 66.70 66.79 1jdh h VAL 325 Cb 0.90 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 1jdh h VAL 325 CO 0.08 0.34 0.46 0.78 0.02 0.00 0.00 177.57 179.25 1jdh h ASN 326 N 1.12 0.72 -0.81 0.57 -0.26 -1.04 -1.37 115.58 114.52 1jdh h ASN 326 Ca 0.25 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 56.01 1jdh h ASN 326 Cb 0.23 -0.13 -0.04 0.00 -1.06 0.00 0.00 38.32 37.32 1jdh h ASN 326 CO -0.02 0.47 0.51 0.40 -1.06 0.00 0.00 177.43 177.73 1jdh h ILE 327 N 0.86 1.22 -0.24 2.81 2.04 -0.95 -0.39 117.51 122.85 1jdh h ILE 327 Ca 0.33 -0.44 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 1jdh h ILE 327 Cb 0.14 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 1jdh h ILE 327 CO -0.16 0.22 -0.18 0.24 0.00 0.00 0.00 178.15 178.27 1jdh h MET 328 N 1.10 0.43 0.00 2.37 2.86 -0.73 -2.27 114.93 118.68 1jdh h MET 328 Ca 0.29 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1jdh h MET 328 Cb -0.08 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.54 1jdh h MET 328 CO -0.06 0.60 -0.47 0.54 1.06 0.00 0.00 176.91 178.58 1jdh n ARG 329 N -4.18 0.22 -0.11 1.72 3.00 -0.60 -4.51 116.66 112.20 1jdh n ARG 329 Ca -0.00 0.09 -0.20 0.00 -0.01 0.00 0.00 57.85 57.72 1jdh n ARG 329 Cb 0.35 -1.66 -0.09 0.00 0.00 0.00 0.00 32.46 31.06 1jdh n ARG 329 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1jdh n THR 330 N -1.99 1.24 -3.30 0.55 -1.04 -0.20 -5.06 114.28 104.48 1jdh n THR 330 Ca 0.04 -0.38 -0.23 0.00 -2.04 0.00 0.00 64.05 61.44 1jdh n THR 330 Cb 0.41 -1.58 -0.00 0.00 -1.82 0.00 0.00 70.33 67.34 1jdh n THR 330 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1jdh s TYR 331 N -2.42 3.38 0.00 -1.42 2.02 -0.87 -5.02 117.35 113.02 1jdh s TYR 331 Ca -0.31 0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.64 1jdh s TYR 331 Cb 0.10 -2.01 0.00 0.00 -0.40 0.00 0.00 41.96 39.65 1jdh s TYR 331 CO 0.44 -0.01 0.16 0.25 -1.57 0.00 0.00 175.55 174.81 1jdh n THR 332 N -1.84 0.00 -1.76 -0.71 -2.24 -1.26 -4.89 114.28 101.58 1jdh n THR 332 Ca -0.03 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.82 1jdh n THR 332 Cb 0.57 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.77 1jdh n THR 332 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1jdh s TYR 333 N -0.68 1.41 0.23 4.78 5.04 -1.26 -4.87 117.35 122.00 1jdh s TYR 333 Ca 0.00 0.58 -0.06 0.00 -2.44 0.00 0.00 57.07 55.15 1jdh s TYR 333 Cb 0.00 -4.00 0.38 0.00 0.35 0.00 0.00 41.96 38.68 1jdh s TYR 333 CO 0.00 -3.64 1.75 1.49 -1.34 0.00 0.00 175.55 173.81 1jdh h GLU 334 N 14.25 0.47 -0.70 4.97 4.22 -1.98 -0.67 114.58 135.13 1jdh h GLU 334 Ca -0.38 -0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.00 1jdh h GLU 334 Cb 1.21 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 1jdh h GLU 334 CO 0.99 0.31 0.33 0.87 -2.18 0.00 0.00 179.01 179.33 1jdh h LYS 335 N 0.48 1.00 -0.21 1.92 1.57 -1.99 0.73 116.57 120.07 1jdh h LYS 335 Ca 0.37 -0.14 -0.12 0.00 -1.87 0.00 0.00 60.65 58.90 1jdh h LYS 335 Cb 0.49 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1jdh h LYS 335 CO -0.34 0.77 -0.32 1.25 -0.57 0.00 0.00 179.45 180.24 1jdh h LEU 336 N 0.99 0.65 -0.74 2.94 5.85 -1.70 -0.03 115.31 123.26 1jdh h LEU 336 Ca 0.24 -0.52 0.03 0.00 0.84 0.00 0.00 57.88 58.48 1jdh h LEU 336 Cb 0.11 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 1jdh h LEU 336 CO -0.03 1.04 0.47 -0.07 -0.34 0.00 0.00 178.44 179.51 1jdh h LEU 337 N 0.28 0.76 0.18 2.25 3.38 -0.78 0.51 115.31 121.89 1jdh h LEU 337 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1jdh h LEU 337 Cb 0.90 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1jdh h LEU 337 CO 0.07 0.52 -0.09 -0.25 0.09 0.00 0.00 178.44 178.79 1jdh h TRP 338 N 0.90 -0.22 -0.85 1.13 7.01 -0.72 0.28 115.95 123.48 1jdh h TRP 338 Ca 0.30 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.31 1jdh h TRP 338 Cb 0.04 0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 27.13 1jdh h TRP 338 CO -0.04 0.05 0.57 1.79 -2.79 0.00 0.00 178.44 178.02 1jdh h THR 339 N -0.49 1.22 -0.43 2.65 1.35 -0.79 -1.67 112.91 114.74 1jdh h THR 339 Ca -0.02 -0.40 -0.12 0.00 -0.55 0.00 0.00 66.41 65.32 1jdh h THR 339 Cb 0.38 -0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 66.75 1jdh h THR 339 CO 0.04 0.21 -0.22 0.74 -0.25 0.00 0.00 175.52 176.04 1jdh h THR 340 N 1.15 1.27 -0.05 6.82 2.02 -0.83 -2.78 112.91 120.52 1jdh h THR 340 Ca 0.31 -1.36 -0.07 0.00 0.77 0.00 0.00 66.41 66.07 1jdh h THR 340 Cb -0.13 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1jdh h THR 340 CO -0.07 0.46 -0.28 0.77 0.37 0.00 0.00 175.52 176.78 1jdh h SER 341 N 0.76 0.08 -0.26 4.18 4.64 -0.33 -1.73 113.55 120.90 1jdh h SER 341 Ca 0.10 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.29 1jdh h SER 341 Cb 0.76 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 1jdh h SER 341 CO 0.06 0.36 -0.23 0.03 -0.87 0.00 0.00 176.83 176.19 1jdh h ARG 342 N 0.08 0.74 -0.02 4.77 3.08 -1.07 -0.34 114.38 121.62 1jdh h ARG 342 Ca 0.01 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 1jdh h ARG 342 Cb 0.54 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 1jdh h ARG 342 CO 0.04 0.90 -0.01 0.28 -1.07 0.00 0.00 179.97 180.11 1jdh h VAL 343 N 0.65 1.32 -0.72 2.04 2.07 -1.17 -2.54 116.25 117.91 1jdh h VAL 343 Ca 0.09 -0.97 0.06 0.00 0.82 0.00 0.00 66.70 66.70 1jdh h VAL 343 Cb 0.73 1.93 -0.04 0.00 -1.52 0.00 0.00 31.29 32.39 1jdh h VAL 343 CO 0.06 0.26 0.47 -0.07 0.02 0.00 0.00 177.57 178.31 1jdh h LEU 344 N -0.34 0.67 -0.25 2.57 3.38 -1.24 -0.48 115.31 119.61 1jdh h LEU 344 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1jdh h LEU 344 Cb 0.42 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1jdh h LEU 344 CO 0.00 0.43 0.11 0.50 0.09 0.00 0.00 178.44 179.57 1jdh h LYS 345 N 0.76 0.37 -0.73 1.13 3.64 -0.95 0.10 116.57 120.88 1jdh h LYS 345 Ca 0.31 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1jdh h LYS 345 Cb 0.24 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 1jdh h LYS 345 CO -0.10 0.39 0.45 0.28 -2.27 0.00 0.00 179.45 178.20 1jdh h VAL 346 N 0.26 1.20 -0.03 2.00 2.07 -0.94 -2.82 116.25 117.99 1jdh h VAL 346 Ca 0.08 -0.44 -0.15 0.00 0.82 0.00 0.00 66.70 67.02 1jdh h VAL 346 Cb 0.15 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1jdh h VAL 346 CO -0.01 0.21 -0.66 -0.07 0.02 0.00 0.00 177.57 177.06 1jdh h LEU 347 N 0.99 0.16 -1.11 2.57 3.38 -0.88 -3.26 115.31 117.17 1jdh h LEU 347 Ca 0.26 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1jdh h LEU 347 Cb -0.05 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1jdh h LEU 347 CO -0.05 0.77 0.00 -1.54 0.09 0.00 0.00 178.44 177.71 1jdh n SER 348 N -3.80 0.48 -0.78 -0.43 3.41 0.34 -1.04 113.62 111.80 1jdh n SER 348 Ca -0.02 0.71 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 1jdh n SER 348 Cb 0.65 -0.77 0.30 0.00 -0.26 0.00 0.00 64.21 64.13 1jdh n SER 348 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1jdh n VAL 349 N -2.13 0.17 -3.47 -3.33 0.24 -1.23 -4.57 118.33 104.02 1jdh n VAL 349 Ca -0.01 -0.45 -0.38 0.00 -2.04 0.00 0.00 64.34 61.46 1jdh n VAL 349 Cb 0.05 0.84 -0.09 0.00 -1.47 0.00 0.00 33.84 33.17 1jdh n VAL 349 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jdh h SER 351 N 8.05 0.00 0.41 0.00 4.64 -1.88 -0.70 113.55 124.08 1jdh h SER 351 Ca -0.34 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.67 1jdh h SER 351 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1jdh h SER 351 CO 0.63 0.00 -1.61 0.28 -0.87 0.00 0.00 176.83 175.26 1jdh h SER 352 N 0.00 0.36 0.83 4.97 0.02 -1.93 -3.37 113.55 114.43 1jdh h SER 352 Ca 0.07 -0.55 -0.20 0.00 -0.84 0.00 0.00 61.79 60.27 1jdh h SER 352 Cb 0.47 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 1jdh h SER 352 CO -0.00 1.46 -0.96 0.78 -1.14 0.00 0.00 176.83 176.98 1jdh h ASN 353 N 0.06 0.10 0.03 3.07 2.35 -1.62 -3.35 115.58 116.22 1jdh h ASN 353 Ca -0.27 -0.09 0.03 0.00 -0.55 0.00 0.00 56.30 55.41 1jdh h ASN 353 Cb 2.02 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 40.31 1jdh h ASN 353 CO 0.15 0.99 -0.39 0.50 -1.65 0.00 0.00 177.43 177.03 1jdh h LYS 354 N 0.03 -0.54 -0.29 0.81 3.64 -1.31 -0.96 116.57 117.95 1jdh h LYS 354 Ca -0.03 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jdh h LYS 354 Cb 1.65 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.58 1jdh h LYS 354 CO 0.13 -0.36 0.16 -1.00 -2.27 0.00 0.00 179.45 176.11 1jdh h PRO 355 N -0.56 0.39 -0.26 1.90 0.13 -1.76 -2.09 132.00 129.75 1jdh h PRO 355 Ca 0.05 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 65.00 1jdh h PRO 355 Cb 0.63 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 1jdh h PRO 355 CO -0.28 0.29 -0.42 0.00 -0.23 0.00 0.00 178.00 177.35 1jdh h ALA 356 N 1.78 0.78 -0.26 -0.56 0.00 -1.57 -2.02 119.26 117.41 1jdh h ALA 356 Ca 0.10 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1jdh h ALA 356 Cb 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1jdh h ALA 356 CO -0.02 0.66 -0.07 0.82 0.00 0.00 0.00 179.25 180.64 1jdh h ILE 357 N 0.51 1.28 0.19 0.00 2.04 -0.68 -2.54 117.51 118.32 1jdh h ILE 357 Ca 0.04 -1.08 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 1jdh h ILE 357 Cb 0.95 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 38.48 1jdh h ILE 357 CO 0.09 0.34 -0.11 0.58 0.00 0.00 0.00 178.15 179.05 1jdh h VAL 358 N 0.26 0.77 0.00 1.67 2.07 -1.35 -0.76 116.25 118.90 1jdh h VAL 358 Ca 0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 1jdh h VAL 358 Cb 0.54 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1jdh h VAL 358 CO 0.03 0.00 -0.04 -0.33 0.02 0.00 0.00 177.57 177.25 1jdh h GLU 359 N -0.28 0.00 0.00 1.57 3.07 -1.39 -0.93 114.58 116.62 1jdh h GLU 359 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1jdh h GLU 359 Cb 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 1jdh h GLU 359 CO 0.02 0.04 0.00 0.00 -1.40 0.00 0.00 179.01 177.67 1jdh n ALA 360 N -2.24 2.29 0.00 3.43 0.00 -0.96 -4.88 120.51 118.16 1jdh n ALA 360 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1jdh n ALA 360 Cb 0.14 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1jdh n ALA 360 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jdh n GLY 361 N 1.39 1.14 0.36 0.00 0.00 -0.35 -4.90 105.19 102.83 1jdh n GLY 361 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.11 1jdh n GLY 361 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jdh h GLY 362 N 0.00 1.21 0.90 -0.02 0.00 -1.20 -1.76 103.07 102.20 1jdh h GLY 362 Ca 0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 1jdh h GLY 362 CO 0.00 0.35 0.09 -0.33 0.00 0.00 0.00 176.54 176.65 1jdh h MET 363 N 1.04 0.48 -0.45 4.80 2.86 -1.81 -1.27 114.93 120.59 1jdh h MET 363 Ca 0.34 -0.11 -0.10 0.00 -2.06 0.00 0.00 59.70 57.78 1jdh h MET 363 Cb 0.06 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1jdh h MET 363 CO -0.11 0.53 -0.12 1.96 1.06 0.00 0.00 176.91 180.24 1jdh h GLN 364 N 0.34 0.82 -0.24 1.72 7.50 -1.86 -1.27 115.11 122.13 1jdh h GLN 364 Ca 0.10 -0.28 -0.07 0.00 0.50 0.00 0.00 58.65 58.90 1jdh h GLN 364 Cb 0.25 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 27.72 1jdh h GLN 364 CO -0.00 0.90 -0.12 0.00 -1.50 0.00 0.00 178.83 178.10 1jdh h ALA 365 N 1.13 0.34 -0.48 3.87 0.00 -1.20 -2.51 119.26 120.41 1jdh h ALA 365 Ca 0.12 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1jdh h ALA 365 Cb 0.61 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1jdh h ALA 365 CO 0.04 0.20 -0.10 -0.07 0.00 0.00 0.00 179.25 179.32 1jdh h LEU 366 N 0.22 0.86 -1.78 0.00 3.38 -1.20 -2.75 115.31 114.03 1jdh h LEU 366 Ca 0.05 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1jdh h LEU 366 Cb 0.63 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1jdh h LEU 366 CO 0.04 0.98 0.13 1.23 0.09 0.00 0.00 178.44 180.90 1jdh h GLY 367 N 0.97 0.29 1.81 0.83 0.00 -1.13 -2.10 103.07 103.75 1jdh h GLY 367 Ca 0.13 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.36 1jdh h GLY 367 CO 0.04 0.11 0.08 0.17 0.00 0.00 0.00 176.54 176.94 1jdh h LEU 368 N 0.28 0.00 -2.91 3.11 -0.00 -1.13 -2.59 115.31 112.07 1jdh h LEU 368 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 1jdh h LEU 368 Cb -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 1jdh h LEU 368 CO -0.01 0.00 0.00 1.41 -0.00 0.00 0.00 178.44 179.84 1jdh n HIS 369 N -3.49 0.61 0.45 0.17 8.25 -0.79 -4.55 115.22 115.86 1jdh n HIS 369 Ca -0.02 -0.54 0.07 0.00 -0.26 0.00 0.00 57.72 56.97 1jdh n HIS 369 Cb 0.17 -0.06 0.30 0.00 1.12 0.00 0.00 29.99 31.52 1jdh n HIS 369 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1jdh n LEU 370 N 0.59 0.05 -0.36 2.41 4.77 -0.98 -2.20 117.00 121.29 1jdh n LEU 370 Ca 0.15 0.51 0.06 0.00 -0.03 0.00 0.00 56.01 56.70 1jdh n LEU 370 Cb 0.51 -0.51 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1jdh n LEU 370 CO 0.10 -0.30 0.31 0.35 -1.33 0.00 0.00 177.39 176.52 1jdh n THR 371 N -1.56 0.00 -1.71 -5.08 -2.24 -1.26 -4.93 114.28 97.51 1jdh n THR 371 Ca 0.03 -0.42 -0.38 0.00 -2.27 0.00 0.00 64.05 61.02 1jdh n THR 371 Cb 0.16 1.19 0.06 0.00 -2.10 0.00 0.00 70.33 69.64 1jdh n THR 371 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1jdh n ASP 372 N 0.11 1.91 0.27 3.42 9.92 -0.93 -4.89 116.55 126.37 1jdh n ASP 372 Ca 0.06 0.86 0.18 0.00 -0.53 0.00 0.00 54.79 55.36 1jdh n ASP 372 Cb 0.28 -1.52 0.90 0.00 -0.64 0.00 0.00 41.12 40.14 1jdh n ASP 372 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 1jdh h PRO 373 N 0.72 0.00 -6.63 -0.24 0.11 -1.95 -3.42 132.00 120.59 1jdh h PRO 373 Ca -0.50 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.04 1jdh h PRO 373 Cb 1.34 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.39 1jdh h PRO 373 CO 0.53 0.00 1.00 0.45 -0.21 0.00 0.00 178.00 179.77 1jdh s SER 374 N -4.98 6.48 0.19 -2.05 0.15 -1.26 -4.90 113.70 107.33 1jdh s SER 374 Ca -0.02 0.59 -0.10 0.00 0.70 0.00 0.00 55.95 57.12 1jdh s SER 374 Cb 0.10 -2.55 0.11 0.00 -1.71 0.00 0.00 66.02 61.98 1jdh s SER 374 CO 0.40 -1.36 1.76 -0.61 1.20 0.00 0.00 173.24 174.63 1jdh h GLN 375 N 9.93 1.00 -0.39 5.44 4.15 -2.00 -1.61 115.11 131.64 1jdh h GLN 375 Ca -0.25 -0.17 -0.03 0.00 0.77 0.00 0.00 58.65 58.96 1jdh h GLN 375 Cb 1.08 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.58 1jdh h GLN 375 CO 1.12 0.82 0.10 0.07 -1.93 0.00 0.00 178.83 179.01 1jdh h ARG 376 N 0.96 0.57 -0.13 1.69 0.11 -1.97 -0.39 114.38 115.22 1jdh h ARG 376 Ca 0.23 -0.09 -0.11 0.00 0.10 0.00 0.00 59.98 60.10 1jdh h ARG 376 Cb 0.18 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.17 1jdh h ARG 376 CO -0.02 0.52 -0.37 1.25 0.10 0.00 0.00 179.97 181.45 1jdh h LEU 377 N 0.56 0.54 -0.44 0.08 5.85 -1.88 -2.08 115.31 117.94 1jdh h LEU 377 Ca 0.13 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1jdh h LEU 377 Cb 0.21 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1jdh h LEU 377 CO -0.00 1.04 0.27 0.58 -0.34 0.00 0.00 178.44 179.99 1jdh h VAL 378 N 0.07 1.13 -0.41 1.05 2.07 -0.99 -1.12 116.25 118.05 1jdh h VAL 378 Ca -0.01 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1jdh h VAL 378 Cb 0.99 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1jdh h VAL 378 CO 0.08 0.13 0.22 1.56 0.02 0.00 0.00 177.57 179.58 1jdh h GLN 379 N 0.58 0.58 -0.72 1.57 7.50 -1.10 -0.27 115.11 123.26 1jdh h GLN 379 Ca 0.16 -0.07 -0.01 0.00 0.50 0.00 0.00 58.65 59.22 1jdh h GLN 379 Cb -0.03 -0.11 -0.03 0.00 0.05 0.00 0.00 27.48 27.36 1jdh h GLN 379 CO -0.03 0.48 0.40 -0.91 -1.50 0.00 0.00 178.83 177.27 1jdh h ASN 380 N 0.53 0.90 -0.54 1.46 2.35 -1.15 -0.51 115.58 118.63 1jdh h ASN 380 Ca 0.14 -0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 1jdh h ASN 380 Cb 0.07 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1jdh h ASN 380 CO -0.02 0.74 0.12 0.00 -1.65 0.00 0.00 177.43 176.61 1jdh h LEU 382 N 0.76 0.25 -0.68 0.00 3.38 -0.67 0.25 115.31 118.60 1jdh h LEU 382 Ca 0.17 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1jdh h LEU 382 Cb 0.36 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1jdh h LEU 382 CO 0.00 0.33 0.39 -0.50 0.09 0.00 0.00 178.44 178.76 1jdh h TRP 383 N 0.15 0.91 -0.23 1.13 6.55 -1.06 -0.45 115.95 122.96 1jdh h TRP 383 Ca 0.06 -0.01 -0.02 0.00 0.95 0.00 0.00 58.89 59.87 1jdh h TRP 383 Cb 0.16 -0.30 -0.01 0.00 -0.86 0.00 0.00 29.16 28.15 1jdh h TRP 383 CO -0.02 0.63 0.05 1.15 -1.05 0.00 0.00 178.44 179.21 1jdh h THR 384 N 0.93 1.21 -0.93 1.49 2.02 -1.10 -1.92 112.91 114.61 1jdh h THR 384 Ca 0.24 -0.70 0.06 0.00 0.77 0.00 0.00 66.41 66.78 1jdh h THR 384 Cb 0.00 1.24 -0.06 0.00 -1.74 0.00 0.00 68.15 67.59 1jdh h THR 384 CO -0.04 0.22 0.59 -0.07 0.37 0.00 0.00 175.52 176.59 1jdh h LEU 385 N 0.19 0.93 -0.30 2.58 3.38 -0.25 -1.49 115.31 120.35 1jdh h LEU 385 Ca 0.07 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1jdh h LEU 385 Cb 0.29 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1jdh h LEU 385 CO 0.00 0.59 0.10 -0.09 0.09 0.00 0.00 178.44 179.13 1jdh h ARG 386 N 1.07 0.47 -0.73 1.13 2.43 -0.78 0.83 114.38 118.80 1jdh h ARG 386 Ca 0.40 -0.10 0.05 0.00 -0.81 0.00 0.00 59.98 59.52 1jdh h ARG 386 Cb 0.17 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 1jdh h ARG 386 CO -0.17 0.51 0.48 -0.91 -1.51 0.00 0.00 179.97 178.37 1jdh h ASN 387 N 0.33 0.72 1.14 -3.80 2.35 -0.76 -2.70 115.58 112.87 1jdh h ASN 387 Ca 0.10 -0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.69 1jdh h ASN 387 Cb 0.24 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1jdh h ASN 387 CO -0.00 0.49 -0.90 -0.07 -1.65 0.00 0.00 177.43 175.29 1jdh h LEU 388 N 0.83 0.00 -0.97 1.61 3.38 -1.00 -3.40 115.31 115.76 1jdh h LEU 388 Ca 0.30 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.57 1jdh h LEU 388 Cb 0.14 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.72 1jdh h LEU 388 CO -0.09 0.67 0.17 0.77 0.09 0.00 0.00 178.44 180.04 1jdh h SER 389 N 0.00 -0.24 0.10 -0.43 4.64 -0.49 0.14 113.55 117.27 1jdh h SER 389 Ca -0.06 0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1jdh h SER 389 Cb 1.56 0.41 0.00 0.00 -0.31 0.00 0.00 62.40 64.06 1jdh h SER 389 CO 0.08 -0.34 0.00 -0.90 -0.87 0.00 0.00 176.83 174.80 1jdh n ASP 390 N -5.40 0.00 -0.15 4.97 3.85 -1.26 -1.78 116.55 116.78 1jdh n ASP 390 Ca 0.26 -0.15 0.02 0.00 -0.71 0.00 0.00 54.79 54.21 1jdh n ASP 390 Cb 0.85 -0.13 0.02 0.00 -1.35 0.00 0.00 41.12 40.51 1jdh n ASP 390 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1jdh n ALA 391 N -1.13 2.45 -0.95 2.12 0.00 0.48 -4.67 120.51 118.81 1jdh n ALA 391 Ca 0.07 -0.58 0.08 0.00 0.00 0.00 0.00 53.44 53.02 1jdh n ALA 391 Cb 0.06 -0.12 0.25 0.00 0.00 0.00 0.00 19.45 19.64 1jdh n ALA 391 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jdh n ALA 392 N 0.16 2.93 1.31 0.00 0.00 -0.74 -4.65 120.51 119.53 1jdh n ALA 392 Ca 0.02 -2.25 0.11 0.00 0.00 0.00 0.00 53.44 51.32 1jdh n ALA 392 Cb 0.11 -0.69 0.63 0.00 0.00 0.00 0.00 19.45 19.50 1jdh n ALA 392 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1jdh n THR 393 N -0.48 0.04 0.02 0.00 5.66 -1.25 -2.73 114.28 115.54 1jdh n THR 393 Ca 0.21 0.01 0.02 0.00 -3.05 0.00 0.00 64.05 61.23 1jdh n THR 393 Cb 0.86 -0.67 0.04 0.00 -1.55 0.00 0.00 70.33 69.01 1jdh n THR 393 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1jdh n LYS 394 N -1.03 1.73 -2.94 1.09 5.02 -1.26 -4.78 118.16 115.99 1jdh n LYS 394 Ca 0.16 -1.33 -0.36 0.00 -2.02 0.00 0.00 58.31 54.75 1jdh n LYS 394 Cb 0.08 -1.08 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 1jdh n LYS 394 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1jdh s GLN 395 N -0.75 4.37 0.45 1.97 -1.52 -1.10 -5.09 119.66 117.98 1jdh s GLN 395 Ca 0.06 1.07 0.08 0.00 -1.95 0.00 0.00 55.36 54.62 1jdh s GLN 395 Cb 0.04 -2.74 0.01 0.00 -0.22 0.00 0.00 33.01 30.09 1jdh s GLN 395 CO 0.05 0.29 0.51 -1.21 -0.25 0.00 0.00 175.29 174.68 1jdh s GLU 396 N -2.20 2.61 -1.17 2.91 0.41 -1.26 -4.61 118.70 115.39 1jdh s GLU 396 Ca 0.49 -1.46 -0.02 0.00 -0.41 0.00 0.00 54.97 53.56 1jdh s GLU 396 Cb -0.16 -2.55 0.00 0.00 -1.78 0.00 0.00 34.13 29.64 1jdh s GLU 396 CO 0.21 -0.34 0.27 0.41 -0.49 0.00 0.00 175.26 175.33 1jdh n GLY 397 N -1.77 -0.20 0.89 -1.39 0.00 -1.26 -4.90 105.19 96.56 1jdh n GLY 397 Ca 0.07 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1jdh n GLY 397 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jdh n MET 398 N -2.84 2.20 -0.08 1.61 2.81 -1.26 -4.55 117.12 115.01 1jdh n MET 398 Ca -0.12 -1.78 -0.08 0.00 -1.81 0.00 0.00 57.70 53.91 1jdh n MET 398 Cb 0.60 -1.47 -0.02 0.00 -0.71 0.00 0.00 33.22 31.62 1jdh n MET 398 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1jdh h GLU 399 N 3.93 -0.27 -0.40 0.03 5.08 -1.97 -0.33 114.58 120.66 1jdh h GLU 399 Ca 0.00 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1jdh h GLU 399 Cb 0.85 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 1jdh h GLU 399 CO 0.00 -0.18 0.21 0.78 -1.00 0.00 0.00 179.01 178.82 1jdh h GLY 400 N -0.28 0.54 0.98 -3.84 0.00 -2.01 -1.95 103.07 96.51 1jdh h GLY 400 Ca 0.15 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jdh h GLY 400 CO -0.48 0.12 0.07 -2.00 0.00 0.00 0.00 176.54 174.25 1jdh h LEU 401 N 0.43 0.14 -0.75 3.11 5.85 -1.76 -2.30 115.31 120.03 1jdh h LEU 401 Ca 0.16 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.89 1jdh h LEU 401 Cb 0.05 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 1jdh h LEU 401 CO -0.10 0.13 0.47 -0.07 -0.34 0.00 0.00 178.44 178.53 1jdh h LEU 402 N 0.13 0.76 -0.36 2.25 3.38 -0.90 -0.92 115.31 119.66 1jdh h LEU 402 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1jdh h LEU 402 Cb 0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1jdh h LEU 402 CO -0.01 0.52 0.22 1.23 0.09 0.00 0.00 178.44 180.48 1jdh h GLY 403 N 0.90 0.53 1.13 0.83 0.00 -1.18 -2.20 103.07 103.08 1jdh h GLY 403 Ca 0.31 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.33 1jdh h GLY 403 CO -0.13 0.21 0.05 -0.84 0.00 0.00 0.00 176.54 175.84 1jdh h THR 404 N 0.47 1.26 -0.97 4.70 2.02 -1.05 -2.64 112.91 116.70 1jdh h THR 404 Ca 0.13 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1jdh h THR 404 Cb 0.01 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.10 1jdh h THR 404 CO -0.02 0.40 0.61 -0.07 0.37 0.00 0.00 175.52 176.81 1jdh h LEU 405 N 0.97 1.14 -0.56 2.58 3.38 -0.94 -0.50 115.31 121.40 1jdh h LEU 405 Ca 0.18 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1jdh h LEU 405 Cb 0.49 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1jdh h LEU 405 CO 0.02 0.85 0.12 0.58 0.09 0.00 0.00 178.44 180.11 1jdh h VAL 406 N 1.33 1.25 -0.42 1.22 2.07 -1.22 -2.40 116.25 118.07 1jdh h VAL 406 Ca 0.35 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 1jdh h VAL 406 Cb -0.10 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1jdh h VAL 406 CO -0.07 0.33 0.08 1.56 0.02 0.00 0.00 177.57 179.49 1jdh h GLN 407 N 0.80 0.64 0.00 1.57 4.20 -1.07 -2.17 115.11 119.08 1jdh h GLN 407 Ca 0.17 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1jdh h GLN 407 Cb 0.36 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1jdh h GLN 407 CO 0.00 0.61 0.00 -0.07 -0.67 0.00 0.00 178.83 178.70 1jdh h LEU 408 N 0.62 0.00 -1.77 1.46 3.38 -0.60 -1.88 115.31 116.52 1jdh h LEU 408 Ca 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1jdh h LEU 408 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1jdh h LEU 408 CO 0.00 0.00 -0.10 -0.07 0.09 0.00 0.00 178.44 178.36 1jdh h LEU 409 N 0.00 0.00 -1.11 1.67 3.38 -1.14 -1.97 115.31 116.14 1jdh h LEU 409 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jdh h LEU 409 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1jdh h LEU 409 CO 0.00 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.24 1jdh n GLY 410 N -0.37 0.52 3.80 0.83 0.00 -0.71 -4.86 105.19 104.40 1jdh n GLY 410 Ca -0.01 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 1jdh n GLY 410 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jdh s SER 411 N -0.88 6.34 0.38 1.61 0.15 -0.74 -4.95 113.70 115.62 1jdh s SER 411 Ca 0.18 1.92 0.24 0.00 0.70 0.00 0.00 55.95 58.98 1jdh s SER 411 Cb 0.10 -2.56 0.41 0.00 -1.71 0.00 0.00 66.02 62.26 1jdh s SER 411 CO 0.11 -0.78 1.61 0.44 1.20 0.00 0.00 173.24 175.82 1jdh h ASP 412 N 1.53 0.00 -2.66 5.45 3.45 -1.91 -3.42 116.42 118.85 1jdh h ASP 412 Ca -0.49 -0.00 -0.54 0.00 0.43 0.00 0.00 57.03 56.42 1jdh h ASP 412 Cb 1.22 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 39.92 1jdh h ASP 412 CO 0.59 0.00 1.08 -0.62 -1.57 0.00 0.00 179.24 178.72 1jdh s ASP 413 N -5.84 6.15 0.53 6.45 -1.08 -1.26 -4.86 116.67 116.75 1jdh s ASP 413 Ca 0.07 -0.03 0.22 0.00 -0.52 0.00 0.00 52.55 52.29 1jdh s ASP 413 Cb 0.07 -2.55 1.38 0.00 -1.46 0.00 0.00 42.92 40.36 1jdh s ASP 413 CO 0.66 -1.76 2.08 -0.29 0.52 0.00 0.00 175.17 176.38 1jdh h ILE 414 N 6.23 0.81 -0.29 4.11 6.09 -1.99 -0.31 117.51 132.16 1jdh h ILE 414 Ca -0.27 0.00 -0.12 0.00 -1.37 0.00 0.00 64.86 63.10 1jdh h ILE 414 Cb 1.07 0.87 -0.01 0.00 0.47 0.00 0.00 36.82 39.22 1jdh h ILE 414 CO 1.22 0.00 -0.33 -1.13 -3.07 0.00 0.00 178.15 174.84 1jdh h ASN 415 N 0.00 0.65 -0.38 2.19 -0.73 -1.96 -0.50 115.58 114.85 1jdh h ASN 415 Ca 0.12 -0.26 -0.15 0.00 1.87 0.00 0.00 56.30 57.88 1jdh h ASN 415 Cb 0.50 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.90 1jdh h ASN 415 CO -0.00 0.93 -0.35 0.58 -0.37 0.00 0.00 177.43 178.22 1jdh h VAL 416 N 0.53 1.28 0.07 2.57 2.07 -1.45 -2.43 116.25 118.89 1jdh h VAL 416 Ca 0.06 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.06 1jdh h VAL 416 Cb 0.82 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1jdh h VAL 416 CO 0.07 0.51 -0.03 0.58 0.02 0.00 0.00 177.57 178.71 1jdh h VAL 417 N 0.72 0.95 -0.30 2.57 2.07 -1.15 -1.41 116.25 119.69 1jdh h VAL 417 Ca 0.06 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1jdh h VAL 417 Cb 0.94 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 1jdh h VAL 417 CO 0.09 0.02 0.02 0.74 0.02 0.00 0.00 177.57 178.45 1jdh h THR 418 N -0.13 0.80 -0.22 2.57 2.02 -1.07 -0.89 112.91 116.00 1jdh h THR 418 Ca -0.01 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1jdh h THR 418 Cb 0.10 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1jdh h THR 418 CO 0.02 0.02 0.11 0.00 0.37 0.00 0.00 175.52 176.04 1jdh h ALA 420 N 0.99 1.39 -0.43 0.00 0.00 -1.00 -0.31 119.26 119.90 1jdh h ALA 420 Ca 0.07 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1jdh h ALA 420 Cb 0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1jdh h ALA 420 CO -0.01 0.51 0.01 0.00 0.00 0.00 0.00 179.25 179.76 1jdh h ALA 421 N 1.47 0.58 -0.58 0.00 0.00 -0.99 -0.26 119.26 119.49 1jdh h ALA 421 Ca 0.25 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1jdh h ALA 421 Cb -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1jdh h ALA 421 CO -0.04 0.37 0.24 0.78 0.00 0.00 0.00 179.25 180.60 1jdh h GLY 422 N 0.60 0.93 0.93 0.00 0.00 -0.74 -0.94 103.07 103.85 1jdh h GLY 422 Ca 0.12 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 1jdh h GLY 422 CO 0.02 0.47 0.08 -2.22 0.00 0.00 0.00 176.54 174.89 1jdh h ILE 423 N 0.80 1.24 -0.79 2.60 2.04 -0.88 -2.62 117.51 119.90 1jdh h ILE 423 Ca 0.20 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 1jdh h ILE 423 Cb 0.19 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 1jdh h ILE 423 CO -0.02 0.28 0.40 -0.07 0.00 0.00 0.00 178.15 178.75 1jdh h LEU 424 N 0.49 1.01 -0.21 1.44 3.38 -0.85 -0.44 115.31 120.13 1jdh h LEU 424 Ca 0.12 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1jdh h LEU 424 Cb 0.34 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1jdh h LEU 424 CO 0.00 0.83 0.12 -1.28 0.09 0.00 0.00 178.44 178.21 1jdh h SER 425 N 1.11 0.25 -0.35 -0.43 0.87 -1.01 -1.74 113.55 112.26 1jdh h SER 425 Ca 0.28 -0.07 -0.17 0.00 -1.23 0.00 0.00 61.79 60.59 1jdh h SER 425 Cb 0.08 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1jdh h SER 425 CO -0.04 0.25 -0.45 0.78 -0.53 0.00 0.00 176.83 176.84 1jdh h ASN 426 N 0.24 1.00 0.85 6.23 2.35 -1.18 -3.08 115.58 121.98 1jdh h ASN 426 Ca 0.07 -0.49 -0.00 0.00 -0.55 0.00 0.00 56.30 55.33 1jdh h ASN 426 Cb 0.05 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.14 1jdh h ASN 426 CO -0.01 1.29 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.97 1jdh h LEU 427 N 0.73 0.00 -0.47 1.61 3.38 -0.99 -2.38 115.31 117.20 1jdh h LEU 427 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1jdh h LEU 427 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1jdh h LEU 427 CO 0.11 0.01 -0.33 0.35 0.09 0.00 0.00 178.44 178.67 1jdh n THR 428 N -3.12 0.00 -1.96 0.22 -2.24 -0.66 -4.69 114.28 101.83 1jdh n THR 428 Ca -0.00 -0.12 -0.43 0.00 -2.27 0.00 0.00 64.05 61.23 1jdh n THR 428 Cb 0.27 0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 68.95 1jdh n THR 428 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jdh n ASN 430 N 9.69 -4.69 -3.53 0.00 3.02 -1.26 -4.95 115.26 113.53 1jdh n ASN 430 Ca 0.22 -0.73 -0.29 0.00 -0.03 0.00 0.00 54.58 53.75 1jdh n ASN 430 Cb 0.46 -3.76 -0.13 0.00 -0.61 0.00 0.00 39.78 35.74 1jdh n ASN 430 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1jdh s ASN 431 N -3.21 3.19 0.40 6.41 3.84 -1.22 -5.01 114.94 119.34 1jdh s ASN 431 Ca 0.64 -2.22 0.12 0.00 0.21 0.00 0.00 52.86 51.61 1jdh s ASN 431 Cb -0.32 -0.55 0.93 0.00 -0.55 0.00 0.00 41.25 40.75 1jdh s ASN 431 CO 0.78 -0.31 1.93 0.10 -2.79 0.00 0.00 177.10 176.81 1jdh h TYR 432 N 7.07 0.61 -0.27 0.43 -0.00 -1.87 -1.67 116.97 121.26 1jdh h TYR 432 Ca 0.02 0.02 -0.00 0.00 0.00 0.00 0.00 58.73 58.77 1jdh h TYR 432 Cb 0.96 -0.20 -0.01 0.00 0.00 0.00 0.00 36.73 37.48 1jdh h TYR 432 CO 0.44 0.26 0.16 0.87 -0.00 0.00 0.00 178.16 179.89 1jdh h LYS 433 N 0.55 0.38 -0.60 0.10 1.57 -1.96 -0.79 116.57 115.82 1jdh h LYS 433 Ca 0.36 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 59.01 1jdh h LYS 433 Cb 0.63 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1jdh h LYS 433 CO -0.13 0.31 0.04 -0.91 -0.57 0.00 0.00 179.45 178.20 1jdh h ASN 434 N 0.34 0.98 -0.31 0.86 2.35 -1.64 -2.18 115.58 115.97 1jdh h ASN 434 Ca 0.10 -0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1jdh h ASN 434 Cb 0.03 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 1jdh h ASN 434 CO -0.02 1.00 0.18 0.11 -1.65 0.00 0.00 177.43 177.06 1jdh h LYS 435 N 0.94 0.43 -0.29 0.81 1.57 -1.13 -1.13 116.57 117.77 1jdh h LYS 435 Ca 0.18 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.98 1jdh h LYS 435 Cb 0.48 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.64 1jdh h LYS 435 CO 0.02 0.34 -0.12 0.52 -0.57 0.00 0.00 179.45 179.64 1jdh h MET 436 N 0.40 -0.07 -0.49 3.15 2.86 -0.91 -0.36 114.93 119.50 1jdh h MET 436 Ca 0.11 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 1jdh h MET 436 Cb 0.03 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1jdh h MET 436 CO -0.02 -0.05 0.23 1.98 1.06 0.00 0.00 176.91 180.11 1jdh h MET 437 N -0.08 0.72 -0.55 1.72 1.85 -1.13 -1.05 114.93 116.41 1jdh h MET 437 Ca 0.15 -0.11 -0.01 0.00 -0.61 0.00 0.00 59.70 59.11 1jdh h MET 437 Cb 0.30 -0.13 -0.03 0.00 0.43 0.00 0.00 31.60 32.18 1jdh h MET 437 CO -0.34 0.61 0.29 0.28 -0.40 0.00 0.00 176.91 177.36 1jdh h VAL 438 N 0.65 1.19 -0.61 -5.77 2.07 -0.83 -2.72 116.25 110.23 1jdh h VAL 438 Ca 0.17 -0.49 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 1jdh h VAL 438 Cb 0.14 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1jdh h VAL 438 CO -0.02 0.20 0.20 0.00 0.02 0.00 0.00 177.57 177.98 1jdh h GLN 440 N 0.87 0.00 -0.67 0.00 4.20 -0.94 -2.44 115.11 116.13 1jdh h GLN 440 Ca 0.20 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.72 1jdh h GLN 440 Cb 0.27 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 27.94 1jdh h GLN 440 CO -0.01 0.03 0.21 1.33 -0.67 0.00 0.00 178.83 179.73 1jdh n VAL 441 N -3.97 2.85 -1.87 -0.54 0.24 -1.05 -4.92 118.33 109.07 1jdh n VAL 441 Ca -0.03 -1.73 -0.02 0.00 -2.04 0.00 0.00 64.34 60.52 1jdh n VAL 441 Cb 0.12 -0.34 -0.00 0.00 -1.47 0.00 0.00 33.84 32.14 1jdh n VAL 441 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jdh n GLY 442 N -0.22 0.33 0.32 7.63 0.00 -0.92 -4.96 105.19 107.37 1jdh n GLY 442 Ca 0.38 -0.83 -0.03 0.00 0.00 0.00 0.00 46.02 45.54 1jdh n GLY 442 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jdh h GLY 443 N 0.00 0.98 0.84 -0.02 0.00 -1.24 -2.34 103.07 101.30 1jdh h GLY 443 Ca -0.05 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 1jdh h GLY 443 CO 0.06 0.50 -0.25 -2.22 0.00 0.00 0.00 176.54 174.64 1jdh h ILE 444 N 0.89 0.48 -0.42 2.60 1.08 -1.84 0.47 117.51 120.77 1jdh h ILE 444 Ca 0.20 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.72 1jdh h ILE 444 Cb 0.23 0.48 -0.04 0.00 -3.07 0.00 0.00 36.82 34.42 1jdh h ILE 444 CO -0.01 0.00 0.18 -0.08 -0.69 0.00 0.00 178.15 177.55 1jdh h GLU 445 N -0.60 0.35 -0.87 2.37 4.81 -1.88 0.00 114.58 118.77 1jdh h GLU 445 Ca -0.03 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1jdh h GLU 445 Cb 0.51 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.75 1jdh h GLU 445 CO 0.02 0.23 0.56 0.00 -0.73 0.00 0.00 179.01 179.10 1jdh h ALA 446 N 1.24 1.15 -0.15 2.92 0.00 -1.20 -1.15 119.26 122.08 1jdh h ALA 446 Ca 0.19 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1jdh h ALA 446 Cb 0.13 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1jdh h ALA 446 CO -0.16 0.41 -0.49 -0.07 0.00 0.00 0.00 179.25 178.95 1jdh h LEU 447 N 1.10 0.42 -0.29 0.00 3.38 -0.27 -1.38 115.31 118.27 1jdh h LEU 447 Ca 0.35 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1jdh h LEU 447 Cb 0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1jdh h LEU 447 CO -0.12 0.84 -0.01 0.58 0.09 0.00 0.00 178.44 179.83 1jdh h VAL 448 N 0.31 1.26 -0.90 1.22 2.07 -0.50 -1.68 116.25 118.03 1jdh h VAL 448 Ca 0.02 -0.95 0.01 0.00 0.82 0.00 0.00 66.70 66.59 1jdh h VAL 448 Cb 0.97 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 1jdh h VAL 448 CO 0.08 0.31 0.59 0.03 0.02 0.00 0.00 177.57 178.60 1jdh h ARG 449 N 0.31 1.18 -0.63 1.57 3.08 -1.11 -1.56 114.38 117.23 1jdh h ARG 449 Ca 0.08 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1jdh h ARG 449 Cb 0.44 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 1jdh h ARG 449 CO 0.02 0.78 0.35 1.15 -1.07 0.00 0.00 179.97 181.20 1jdh h THR 450 N 1.22 1.20 -0.60 2.04 2.02 -0.97 -0.65 112.91 117.16 1jdh h THR 450 Ca 0.33 -0.49 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 1jdh h THR 450 Cb -0.14 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.63 1jdh h THR 450 CO -0.07 0.21 0.28 0.58 0.37 0.00 0.00 175.52 176.89 1jdh h VAL 451 N 0.85 1.22 -0.59 3.16 2.07 -0.57 -0.64 116.25 121.75 1jdh h VAL 451 Ca 0.22 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 1jdh h VAL 451 Cb 0.03 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1jdh h VAL 451 CO -0.04 0.25 0.21 -0.07 0.02 0.00 0.00 177.57 177.94 1jdh h LEU 452 N 0.82 0.84 -0.79 2.57 3.38 -1.00 -2.89 115.31 118.25 1jdh h LEU 452 Ca 0.21 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1jdh h LEU 452 Cb 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1jdh h LEU 452 CO -0.02 0.81 -0.29 0.03 0.09 0.00 0.00 178.44 179.06 1jdh h ARG 453 N 0.83 0.59 -0.34 1.13 3.08 -0.87 -3.25 114.38 115.55 1jdh h ARG 453 Ca 0.19 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1jdh h ARG 453 Cb 0.25 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1jdh h ARG 453 CO -0.01 0.82 0.07 0.00 -1.07 0.00 0.00 179.97 179.78 1jdh h ALA 454 N 1.18 1.49 -0.77 0.04 0.00 -0.91 -3.48 119.26 116.81 1jdh h ALA 454 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1jdh h ALA 454 Cb 0.76 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1jdh h ALA 454 CO 0.06 0.38 0.00 0.41 0.00 0.00 0.00 179.25 180.10 1jdh n GLY 455 N -1.06 3.01 0.68 0.00 0.00 -1.18 -1.86 105.19 104.77 1jdh n GLY 455 Ca 0.02 -0.20 0.05 0.00 0.00 0.00 0.00 46.02 45.89 1jdh n GLY 455 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jdh n ASP 456 N 5.98 1.95 -4.53 1.61 3.85 -1.26 -4.78 116.55 119.37 1jdh n ASP 456 Ca 0.00 -2.04 -0.41 0.00 -0.71 0.00 0.00 54.79 51.63 1jdh n ASP 456 Cb 0.00 -0.26 -0.03 0.00 -1.35 0.00 0.00 41.12 39.48 1jdh n ASP 456 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1jdh s ARG 457 N -1.57 3.26 0.24 0.11 0.52 -0.78 -4.86 118.95 115.87 1jdh s ARG 457 Ca 0.23 -0.54 0.24 0.00 -0.52 0.00 0.00 55.73 55.13 1jdh s ARG 457 Cb 0.13 -4.42 0.94 0.00 0.52 0.00 0.00 34.95 32.12 1jdh s ARG 457 CO 0.15 -2.09 1.71 0.39 0.02 0.00 0.00 175.30 175.47 1jdh n GLU 458 N 8.93 0.19 0.01 3.54 1.02 -1.26 -1.76 120.64 131.31 1jdh n GLU 458 Ca 0.08 0.38 0.12 0.00 -0.02 0.00 0.00 57.16 57.72 1jdh n GLU 458 Cb 0.49 -1.84 0.50 0.00 -0.02 0.00 0.00 31.44 30.57 1jdh n GLU 458 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1jdh n ASP 459 N -2.20 0.09 -0.09 1.62 3.85 -1.26 -1.69 116.55 116.88 1jdh n ASP 459 Ca 0.03 0.51 -0.15 0.00 -0.71 0.00 0.00 54.79 54.47 1jdh n ASP 459 Cb 0.26 -0.54 -0.07 0.00 -1.35 0.00 0.00 41.12 39.42 1jdh n ASP 459 CO 0.00 0.00 0.00 -0.38 -1.01 0.00 0.00 177.20 175.81 1jdh n ILE 460 N -1.59 0.96 -0.09 2.12 5.41 -0.88 -4.59 119.36 120.70 1jdh n ILE 460 Ca 0.06 -0.30 -0.07 0.00 1.00 0.00 0.00 62.75 63.43 1jdh n ILE 460 Cb 0.29 -1.41 0.11 0.00 -0.71 0.00 0.00 39.64 37.92 1jdh n ILE 460 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1jdh h THR 461 N -0.32 1.27 0.51 1.39 1.35 -1.38 -2.44 112.91 113.28 1jdh h THR 461 Ca -0.41 -1.26 -0.02 0.00 -0.55 0.00 0.00 66.41 64.17 1jdh h THR 461 Cb 1.48 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 69.04 1jdh h THR 461 CO -0.16 0.42 -0.34 -0.08 -0.25 0.00 0.00 175.52 175.11 1jdh h GLU 462 N 0.67 -0.79 -0.70 4.72 4.81 -1.60 0.16 114.58 121.86 1jdh h GLU 462 Ca 0.10 0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1jdh h GLU 462 Cb 0.67 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.20 1jdh h GLU 462 CO 0.05 -0.52 0.24 -1.00 -0.73 0.00 0.00 179.01 177.05 1jdh h PRO 463 N -0.82 1.06 -0.73 0.92 0.13 -1.80 0.12 132.00 130.89 1jdh h PRO 463 Ca -0.06 -0.20 -0.03 0.00 -0.87 0.00 0.00 66.00 64.84 1jdh h PRO 463 Cb 0.68 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.61 1jdh h PRO 463 CO 0.04 0.89 0.33 0.00 -0.23 0.00 0.00 178.00 179.03 1jdh h ALA 464 N 1.23 0.94 -0.24 -0.56 0.00 -1.26 0.71 119.26 120.08 1jdh h ALA 464 Ca 0.23 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1jdh h ALA 464 Cb 0.25 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1jdh h ALA 464 CO -0.01 0.52 -0.36 0.82 0.00 0.00 0.00 179.25 180.22 1jdh h ILE 465 N 1.03 1.31 -1.01 0.00 1.08 -0.41 -1.52 117.51 117.99 1jdh h ILE 465 Ca 0.25 -1.56 0.01 0.00 -0.39 0.00 0.00 64.86 63.17 1jdh h ILE 465 Cb 0.15 1.74 -0.05 0.00 -3.07 0.00 0.00 36.82 35.59 1jdh h ILE 465 CO -0.03 0.49 0.67 0.00 -0.69 0.00 0.00 178.15 178.59 1jdh h ALA 467 N 1.38 0.69 -0.42 0.00 0.00 -0.74 -1.14 119.26 119.03 1jdh h ALA 467 Ca 0.37 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1jdh h ALA 467 Cb -0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1jdh h ALA 467 CO -0.09 0.33 0.01 -0.07 0.00 0.00 0.00 179.25 179.43 1jdh h LEU 468 N 0.72 0.63 -0.02 0.00 3.38 -0.45 -0.82 115.31 118.75 1jdh h LEU 468 Ca 0.17 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1jdh h LEU 468 Cb 0.24 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1jdh h LEU 468 CO -0.01 0.70 0.01 -0.09 0.09 0.00 0.00 178.44 179.14 1jdh h ARG 469 N 0.63 0.03 -0.87 1.13 2.43 -0.42 -1.93 114.38 115.38 1jdh h ARG 469 Ca 0.13 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1jdh h ARG 469 Cb 0.39 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 1jdh h ARG 469 CO 0.01 0.04 0.52 0.45 -1.51 0.00 0.00 179.97 179.48 1jdh h HIS 470 N 0.01 1.16 0.00 2.20 3.86 -0.84 -2.48 115.15 119.05 1jdh h HIS 470 Ca 0.01 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1jdh h HIS 470 Cb 0.02 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.11 1jdh h HIS 470 CO -0.07 0.77 0.00 1.28 0.86 0.00 0.00 177.93 180.77 1jdh n LEU 471 N -4.41 0.53 -1.52 2.43 4.77 -0.35 -3.20 117.00 115.26 1jdh n LEU 471 Ca 0.09 0.62 0.04 0.00 -0.03 0.00 0.00 56.01 56.73 1jdh n LEU 471 Cb 0.06 -0.53 0.32 0.00 -2.33 0.00 0.00 43.42 40.94 1jdh n LEU 471 CO 0.38 -0.45 0.84 0.35 -1.33 0.00 0.00 177.39 177.18 1jdh n THR 472 N -2.08 2.63 -3.66 -5.08 -2.24 -0.75 -4.56 114.28 98.54 1jdh n THR 472 Ca 0.03 -1.71 -0.15 0.00 -2.27 0.00 0.00 64.05 59.95 1jdh n THR 472 Cb 0.24 -0.29 -0.07 0.00 -2.10 0.00 0.00 70.33 68.10 1jdh n THR 472 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1jdh s SER 473 N -1.36 -0.39 -1.34 3.42 1.04 -1.19 -4.78 113.70 109.11 1jdh s SER 473 Ca 0.50 0.34 -0.00 0.00 0.48 0.00 0.00 55.95 57.27 1jdh s SER 473 Cb 0.40 0.41 -0.00 0.00 0.10 0.00 0.00 66.02 66.92 1jdh s SER 473 CO 0.12 -0.52 0.60 0.54 0.98 0.00 0.00 173.24 174.96 1jdh n ARG 474 N 1.10 -4.31 -3.48 4.02 1.74 -1.26 -4.91 116.66 109.56 1jdh n ARG 474 Ca -0.20 0.54 -0.12 0.00 -0.77 0.00 0.00 57.85 57.30 1jdh n ARG 474 Cb 0.56 -4.94 -0.03 0.00 -1.02 0.00 0.00 32.46 27.03 1jdh n ARG 474 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1jdh s HIS 475 N -3.77 -0.49 0.41 -1.55 -3.43 -1.26 -4.73 115.29 100.47 1jdh s HIS 475 Ca 0.00 0.47 0.22 0.00 -0.80 0.00 0.00 55.06 54.96 1jdh s HIS 475 Cb -0.00 0.52 1.21 0.00 -1.43 0.00 0.00 32.58 32.88 1jdh s HIS 475 CO 0.84 -0.67 1.73 -0.56 -2.00 0.00 0.00 174.74 174.08 1jdh h GLN 476 N 2.24 0.28 -0.46 -0.38 -0.00 -1.95 -0.87 115.11 113.98 1jdh h GLN 476 Ca -0.28 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.35 1jdh h GLN 476 Cb 1.25 -0.06 -0.00 0.00 -0.00 0.00 0.00 27.48 28.66 1jdh h GLN 476 CO 0.36 0.19 0.00 -0.85 -0.00 0.00 0.00 178.83 178.52 1jdh n GLU 477 N -4.63 4.13 -0.33 0.06 -0.00 -1.26 -4.54 120.64 114.07 1jdh n GLU 477 Ca 0.29 -3.05 -0.04 0.00 -0.00 0.00 0.00 57.16 54.36 1jdh n GLU 477 Cb 1.05 -2.11 0.09 0.00 -0.00 0.00 0.00 31.44 30.47 1jdh n GLU 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jdh h ALA 478 N 3.13 1.16 -0.49 -1.84 0.00 -1.39 -1.07 119.26 118.76 1jdh h ALA 478 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1jdh h ALA 478 Cb 1.79 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1jdh h ALA 478 CO 0.39 0.67 0.26 1.49 0.00 0.00 0.00 179.25 182.06 1jdh h GLU 479 N 1.25 0.68 -0.92 0.00 4.81 -1.80 0.07 114.58 118.67 1jdh h GLU 479 Ca 0.31 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1jdh h GLU 479 Cb 0.04 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 1jdh h GLU 479 CO -0.05 0.54 0.52 1.98 -0.73 0.00 0.00 179.01 181.28 1jdh h MET 480 N 0.64 1.27 -0.48 1.92 4.05 -1.79 -2.52 114.93 118.02 1jdh h MET 480 Ca 0.17 -0.14 -0.07 0.00 -0.28 0.00 0.00 59.70 59.39 1jdh h MET 480 Cb 0.06 -0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 30.59 1jdh h MET 480 CO -0.03 0.91 0.05 0.00 0.23 0.00 0.00 176.91 178.07 1jdh h ALA 481 N 1.29 0.65 -0.89 0.39 0.00 -0.54 -0.14 119.26 120.03 1jdh h ALA 481 Ca 0.33 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1jdh h ALA 481 Cb -0.01 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1jdh h ALA 481 CO -0.06 0.41 0.58 1.96 0.00 0.00 0.00 179.25 182.15 1jdh h GLN 482 N 0.69 1.10 -0.01 0.00 4.20 -0.77 -1.87 115.11 118.44 1jdh h GLN 482 Ca 0.14 -0.07 -0.22 0.00 0.06 0.00 0.00 58.65 58.57 1jdh h GLN 482 Cb 0.44 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1jdh h GLN 482 CO 0.02 0.73 -0.90 -0.91 -0.67 0.00 0.00 178.83 177.09 1jdh h ASN 483 N 1.13 0.47 -0.43 1.46 2.35 -1.17 -3.28 115.58 116.11 1jdh h ASN 483 Ca 0.35 -0.37 -0.07 0.00 -0.55 0.00 0.00 56.30 55.65 1jdh h ASN 483 Cb -0.02 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1jdh h ASN 483 CO -0.10 1.16 0.02 0.00 -1.65 0.00 0.00 177.43 176.87 1jdh h ALA 484 N 0.81 1.10 -0.89 -0.83 0.00 -0.47 0.16 119.26 119.14 1jdh h ALA 484 Ca -0.07 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1jdh h ALA 484 Cb 1.53 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 1jdh h ALA 484 CO 0.15 0.57 0.58 0.28 0.00 0.00 0.00 179.25 180.84 1jdh h VAL 485 N 0.77 1.16 -0.03 0.00 2.07 -1.42 0.14 116.25 118.94 1jdh h VAL 485 Ca 0.15 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 1jdh h VAL 485 Cb 0.44 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1jdh h VAL 485 CO 0.02 0.21 -0.33 -0.09 0.02 0.00 0.00 177.57 177.39 1jdh h ARG 486 N 1.12 0.29 0.00 1.57 2.43 -1.48 -0.64 114.38 117.67 1jdh h ARG 486 Ca 0.35 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1jdh h ARG 486 Cb -0.00 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1jdh h ARG 486 CO -0.10 0.94 0.00 -0.07 -1.51 0.00 0.00 179.97 179.23 1jdh h LEU 487 N -0.27 0.00 -3.81 3.80 3.38 -0.29 -1.89 115.31 116.23 1jdh h LEU 487 Ca -0.03 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.58 1jdh h LEU 487 Cb 1.03 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.56 1jdh h LEU 487 CO 0.07 0.00 0.42 1.41 0.09 0.00 0.00 178.44 180.43 1jdh n HIS 488 N -2.80 2.57 -2.39 1.13 8.25 0.46 -4.93 115.22 117.50 1jdh n HIS 488 Ca -0.00 -1.58 -0.19 0.00 -0.26 0.00 0.00 57.72 55.68 1jdh n HIS 488 Cb 0.19 -0.79 -0.01 0.00 1.12 0.00 0.00 29.99 30.50 1jdh n HIS 488 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1jdh n TYR 489 N -0.80 -1.05 1.01 4.41 4.02 -0.71 -4.92 117.16 119.13 1jdh n TYR 489 Ca 0.49 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.50 1jdh n TYR 489 Cb 1.48 -3.77 0.16 0.00 -0.02 0.00 0.00 39.34 37.19 1jdh n TYR 489 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jdh n GLY 490 N -0.97 -1.14 0.22 2.72 0.00 -0.25 -4.45 105.19 101.32 1jdh n GLY 490 Ca -0.23 -0.42 -0.06 0.00 0.00 0.00 0.00 46.02 45.31 1jdh n GLY 490 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jdh h LEU 491 N 0.09 0.60 -0.50 0.99 3.38 -1.85 -2.04 115.31 115.98 1jdh h LEU 491 Ca 0.00 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1jdh h LEU 491 Cb 0.50 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1jdh h LEU 491 CO 0.00 0.44 0.33 -0.65 0.09 0.00 0.00 178.44 178.64 1jdh h PRO 492 N 0.72 0.65 -0.20 1.13 0.11 -1.95 -1.80 132.00 130.66 1jdh h PRO 492 Ca 0.20 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.14 1jdh h PRO 492 Cb -0.07 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.88 1jdh h PRO 492 CO -0.05 0.43 -0.44 -0.24 -0.21 0.00 0.00 178.00 177.49 1jdh h VAL 493 N 0.67 1.31 -0.41 3.15 3.04 -1.80 -1.38 116.25 120.83 1jdh h VAL 493 Ca 0.19 -1.62 -0.01 0.00 -1.01 0.00 0.00 66.70 64.25 1jdh h VAL 493 Cb -0.06 1.64 -0.02 0.00 -2.01 0.00 0.00 31.29 30.84 1jdh h VAL 493 CO -0.05 0.50 0.23 0.58 -1.01 0.00 0.00 177.57 177.83 1jdh h VAL 494 N 0.40 1.14 -0.53 1.51 2.07 -1.15 -1.57 116.25 118.11 1jdh h VAL 494 Ca 0.03 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.10 1jdh h VAL 494 Cb 0.93 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1jdh h VAL 494 CO 0.08 0.15 -0.04 0.58 0.02 0.00 0.00 177.57 178.36 1jdh h VAL 495 N 0.53 1.27 -0.90 2.57 2.07 -1.21 -2.84 116.25 117.74 1jdh h VAL 495 Ca 0.14 -1.16 0.10 0.00 0.82 0.00 0.00 66.70 66.60 1jdh h VAL 495 Cb 0.03 0.94 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 1jdh h VAL 495 CO -0.02 0.41 0.58 0.11 0.02 0.00 0.00 177.57 178.67 1jdh h LYS 496 N 0.84 0.87 0.00 1.57 1.57 -0.90 -0.59 116.57 119.92 1jdh h LYS 496 Ca 0.15 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1jdh h LYS 496 Cb 0.58 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1jdh h LYS 496 CO 0.03 0.57 0.00 1.28 -0.57 0.00 0.00 179.45 180.77 1jdh n LEU 497 N -4.53 0.37 0.17 2.94 4.77 -0.62 -0.81 117.00 119.29 1jdh n LEU 497 Ca 0.15 0.66 0.13 0.00 -0.03 0.00 0.00 56.01 56.93 1jdh n LEU 497 Cb 0.31 -0.69 0.43 0.00 -2.33 0.00 0.00 43.42 41.14 1jdh n LEU 497 CO 0.31 -0.73 0.88 -0.07 -1.33 0.00 0.00 177.39 176.45 1jdh h LEU 498 N 0.00 0.00-10.24 2.23 3.38 -1.19 -3.43 115.31 106.07 1jdh h LEU 498 Ca 0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 1jdh h LEU 498 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1jdh h LEU 498 CO 0.00 0.00 -0.31 -1.00 0.09 0.00 0.00 178.44 177.22 1jdh s HIS 499 N -3.29 3.41 0.80 1.13 3.76 0.01 -4.95 115.29 116.16 1jdh s HIS 499 Ca 0.06 0.11 -0.14 0.00 -0.15 0.00 0.00 55.06 54.94 1jdh s HIS 499 Cb 0.09 -1.80 0.04 0.00 1.11 0.00 0.00 32.58 32.02 1jdh s HIS 499 CO 0.55 0.21 0.89 -2.30 -0.85 0.00 0.00 174.74 173.24 1jdh n PRO 500 N -1.63 0.18 0.00 8.40 -0.02 -1.26 -2.28 135.00 138.39 1jdh n PRO 500 Ca -0.06 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1jdh n PRO 500 Cb 0.57 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1jdh n PRO 500 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1jdh n PRO 501 N -2.25 0.95 -1.71 0.52 -0.04 -1.26 -5.05 135.00 126.16 1jdh n PRO 501 Ca 0.12 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.15 1jdh n PRO 501 Cb 0.51 -1.06 -0.01 0.00 -0.04 0.00 0.00 33.50 32.90 1jdh n PRO 501 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1jdh n SER 502 N -0.44 2.87 -4.97 3.54 7.64 -0.97 -5.00 113.62 116.30 1jdh n SER 502 Ca 0.00 1.21 -0.21 0.00 1.01 0.00 0.00 58.87 60.88 1jdh n SER 502 Cb 0.03 -1.50 0.01 0.00 -1.01 0.00 0.00 64.21 61.74 1jdh n SER 502 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1jdh s HIS 503 N -1.06 3.11 0.27 1.43 3.76 -1.26 -4.88 115.29 116.65 1jdh s HIS 503 Ca 0.56 0.01 -0.00 0.00 -0.15 0.00 0.00 55.06 55.48 1jdh s HIS 503 Cb -0.56 -2.28 0.59 0.00 1.11 0.00 0.00 32.58 31.44 1jdh s HIS 503 CO 0.62 -0.33 1.71 -1.49 -0.85 0.00 0.00 174.74 174.40 1jdh h TRP 504 N 0.52 0.55 -0.47 1.40 4.06 -1.91 -1.12 115.95 118.99 1jdh h TRP 504 Ca -0.45 0.04 0.06 0.00 2.06 0.00 0.00 58.89 60.60 1jdh h TRP 504 Cb 1.26 -0.12 -0.05 0.00 -1.00 0.00 0.00 29.16 29.25 1jdh h TRP 504 CO 0.43 -0.01 0.17 -1.35 -3.56 0.00 0.00 178.44 174.12 1jdh h PRO 505 N 0.41 0.34 -0.42 0.49 0.11 -1.93 0.29 132.00 131.30 1jdh h PRO 505 Ca 0.49 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.49 1jdh h PRO 505 Cb 0.85 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 1jdh h PRO 505 CO -0.48 0.23 -0.10 1.25 -0.21 0.00 0.00 178.00 178.69 1jdh h LEU 506 N 0.35 0.80 -0.65 2.35 5.85 -1.80 -2.48 115.31 119.73 1jdh h LEU 506 Ca 0.22 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1jdh h LEU 506 Cb 0.21 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1jdh h LEU 506 CO -0.22 0.98 0.38 0.40 -0.34 0.00 0.00 178.44 179.64 1jdh h ILE 507 N 0.62 1.20 -0.26 4.05 2.04 -0.63 0.15 117.51 124.67 1jdh h ILE 507 Ca 0.11 -0.46 0.04 0.00 1.00 0.00 0.00 64.86 65.55 1jdh h ILE 507 Cb 0.62 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1jdh h ILE 507 CO 0.04 0.21 0.02 0.50 0.00 0.00 0.00 178.15 178.92 1jdh h LYS 508 N 0.89 0.10 -0.73 2.37 3.64 -0.32 0.44 116.57 122.96 1jdh h LYS 508 Ca 0.23 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1jdh h LYS 508 Cb 0.00 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1jdh h LYS 508 CO -0.04 0.07 0.29 0.00 -2.27 0.00 0.00 179.45 177.50 1jdh h ALA 509 N 1.21 0.94 -0.61 5.00 0.00 -1.04 -2.16 119.26 122.60 1jdh h ALA 509 Ca 0.12 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1jdh h ALA 509 Cb 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1jdh h ALA 509 CO -0.19 0.57 0.06 1.15 0.00 0.00 0.00 179.25 180.84 1jdh h THR 510 N 1.04 1.26 -0.61 0.00 2.02 -0.47 -0.82 112.91 115.32 1jdh h THR 510 Ca 0.24 -1.05 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 1jdh h THR 510 Cb 0.21 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1jdh h THR 510 CO -0.02 0.39 0.29 0.58 0.37 0.00 0.00 175.52 177.13 1jdh h VAL 511 N 0.95 1.22 -0.90 3.16 2.07 -0.71 -0.70 116.25 121.34 1jdh h VAL 511 Ca 0.18 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1jdh h VAL 511 Cb 0.46 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1jdh h VAL 511 CO 0.02 0.25 0.55 1.23 0.02 0.00 0.00 177.57 179.64 1jdh h GLY 512 N 0.84 1.29 0.96 2.17 0.00 -0.82 -0.47 103.07 107.04 1jdh h GLY 512 Ca 0.21 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 1jdh h GLY 512 CO -0.03 0.51 0.00 -2.00 0.00 0.00 0.00 176.54 175.02 1jdh h LEU 513 N 1.23 0.72 -1.06 3.11 5.85 -0.71 -1.96 115.31 122.49 1jdh h LEU 513 Ca 0.32 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1jdh h LEU 513 Cb -0.07 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 1jdh h LEU 513 CO -0.06 0.85 0.20 0.40 -0.34 0.00 0.00 178.44 179.49 1jdh h ILE 514 N 0.56 1.22 -0.67 4.05 2.04 -0.71 0.12 117.51 124.13 1jdh h ILE 514 Ca 0.12 -0.73 0.05 0.00 1.00 0.00 0.00 64.86 65.30 1jdh h ILE 514 Cb 0.48 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 1jdh h ILE 514 CO 0.02 0.28 0.39 -0.09 0.00 0.00 0.00 178.15 178.75 1jdh h ARG 515 N 0.86 0.70 -0.27 2.37 2.43 -0.87 -0.19 114.38 119.41 1jdh h ARG 515 Ca 0.20 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.25 1jdh h ARG 515 Cb 0.22 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1jdh h ARG 515 CO -0.01 0.47 -0.13 -0.91 -1.51 0.00 0.00 179.97 177.87 1jdh h ASN 516 N 0.73 0.58 -0.69 -3.80 2.35 -0.51 -3.10 115.58 111.14 1jdh h ASN 516 Ca 0.29 -0.41 0.03 0.00 -0.55 0.00 0.00 56.30 55.66 1jdh h ASN 516 Cb 0.14 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 1jdh h ASN 516 CO -0.16 0.86 0.45 -0.07 -1.65 0.00 0.00 177.43 176.86 1jdh h LEU 517 N 0.30 0.72 -0.91 1.61 3.38 -0.33 -1.27 115.31 118.81 1jdh h LEU 517 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1jdh h LEU 517 Cb 0.64 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1jdh h LEU 517 CO 0.04 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.06 1jdh n ALA 518 N -2.44 1.35 0.25 1.53 0.00 -0.13 -1.82 120.51 119.26 1jdh n ALA 518 Ca 0.08 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.77 1jdh n ALA 518 Cb 0.12 -1.32 0.64 0.00 0.00 0.00 0.00 19.45 18.90 1jdh n ALA 518 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1jdh h LEU 519 N 0.00 0.00 -8.73 0.00 3.38 -1.27 -3.40 115.31 105.29 1jdh h LEU 519 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 1jdh h LEU 519 Cb 0.18 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.78 1jdh h LEU 519 CO 0.00 0.14 0.05 0.00 0.09 0.00 0.00 178.44 178.71 1jdh h PRO 521 N 8.55 0.37 0.00 0.00 0.13 -1.86 0.11 132.00 139.30 1jdh h PRO 521 Ca -0.27 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1jdh h PRO 521 Cb 1.11 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1jdh h PRO 521 CO 0.82 0.25 0.00 0.00 -0.23 0.00 0.00 178.00 178.84 1jdh n ALA 522 N -2.53 1.27 1.00 -0.56 0.00 -1.26 -1.24 120.51 117.19 1jdh n ALA 522 Ca 0.17 0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.76 1jdh n ALA 522 Cb 0.63 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.88 1jdh n ALA 522 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jdh n ASN 523 N -1.78 0.89 0.17 0.00 3.02 0.39 -4.51 115.26 113.45 1jdh n ASN 523 Ca 0.01 -0.81 -0.14 0.00 -0.03 0.00 0.00 54.58 53.61 1jdh n ASN 523 Cb 0.08 0.77 -0.07 0.00 -0.61 0.00 0.00 39.78 39.96 1jdh n ASN 523 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 1jdh h HIS 524 N 0.08 -0.83 -0.05 3.10 3.86 -1.22 -2.03 115.15 118.07 1jdh h HIS 524 Ca 0.00 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1jdh h HIS 524 Cb 0.51 0.33 -0.00 0.00 1.06 0.00 0.00 27.41 29.31 1jdh h HIS 524 CO 0.00 -0.43 0.00 0.00 0.86 0.00 0.00 177.93 178.36 1jdh h ALA 525 N -0.02 0.07 -0.81 2.45 0.00 -1.80 -2.41 119.26 116.74 1jdh h ALA 525 Ca -0.00 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.85 1jdh h ALA 525 Cb 0.58 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 1jdh h ALA 525 CO -0.10 -0.26 0.45 -1.35 0.00 0.00 0.00 179.25 177.99 1jdh h PRO 526 N -0.20 0.71 -0.50 0.00 0.11 -1.78 0.99 132.00 131.32 1jdh h PRO 526 Ca 0.01 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.01 1jdh h PRO 526 Cb 0.33 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 1jdh h PRO 526 CO 0.00 0.47 0.01 -0.07 -0.21 0.00 0.00 178.00 178.20 1jdh h LEU 527 N 0.73 0.79 -0.01 2.35 3.38 -1.34 -1.99 115.31 119.22 1jdh h LEU 527 Ca 0.40 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1jdh h LEU 527 Cb 0.43 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1jdh h LEU 527 CO -0.27 0.85 -0.00 -0.09 0.09 0.00 0.00 178.44 179.01 1jdh h ARG 528 N 0.77 0.02 -0.15 1.13 2.43 -0.70 -2.05 114.38 115.83 1jdh h ARG 528 Ca 0.15 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 1jdh h ARG 528 Cb 0.45 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1jdh h ARG 528 CO 0.02 0.37 0.15 0.93 -1.51 0.00 0.00 179.97 179.93 1jdh h GLU 529 N -0.33 0.00 -0.08 0.20 5.08 -0.70 0.47 114.58 119.21 1jdh h GLU 529 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jdh h GLU 529 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1jdh h GLU 529 CO 0.00 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.05 1jdh n GLN 530 N -3.98 1.54 -0.94 2.33 1.13 -0.76 -4.92 117.38 111.78 1jdh n GLN 530 Ca 0.01 -0.81 0.00 0.00 -1.94 0.00 0.00 57.00 54.26 1jdh n GLN 530 Cb 0.27 -1.42 0.00 0.00 0.11 0.00 0.00 30.24 29.20 1jdh n GLN 530 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jdh n GLY 531 N 1.09 0.45 0.32 1.08 0.00 0.16 -4.93 105.19 103.35 1jdh n GLY 531 Ca 0.17 -0.98 -0.04 0.00 0.00 0.00 0.00 46.02 45.17 1jdh n GLY 531 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdh h ALA 532 N 0.00 1.06 0.49 4.61 0.00 -1.52 -3.20 119.26 120.71 1jdh h ALA 532 Ca 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1jdh h ALA 532 Cb 0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1jdh h ALA 532 CO 0.00 0.48 -0.32 0.82 0.00 0.00 0.00 179.25 180.23 1jdh h ILE 533 N 1.14 0.34 -0.83 0.00 2.04 -1.85 -1.18 117.51 117.18 1jdh h ILE 533 Ca 0.31 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.26 1jdh h ILE 533 Cb -0.12 0.34 -0.07 0.00 -0.74 0.00 0.00 36.82 36.23 1jdh h ILE 533 CO -0.06 0.00 0.48 -0.65 0.00 0.00 0.00 178.15 177.91 1jdh h PRO 534 N -0.78 0.78 -0.42 2.37 0.11 -1.95 -1.23 132.00 130.88 1jdh h PRO 534 Ca -0.05 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.89 1jdh h PRO 534 Cb 0.64 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 1jdh h PRO 534 CO 0.04 0.52 -0.18 -0.09 -0.21 0.00 0.00 178.00 178.08 1jdh h ARG 535 N 0.81 0.87 -0.69 1.05 9.65 -1.53 -0.79 114.38 123.75 1jdh h ARG 535 Ca 0.39 -0.37 0.03 0.00 -1.10 0.00 0.00 59.98 58.93 1jdh h ARG 535 Cb 0.35 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.85 1jdh h ARG 535 CO -0.24 1.02 0.44 -0.07 2.80 0.00 0.00 179.97 183.91 1jdh h LEU 536 N 0.70 0.72 -0.64 3.80 3.38 -0.70 -0.14 115.31 122.42 1jdh h LEU 536 Ca 0.10 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1jdh h LEU 536 Cb 0.74 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1jdh h LEU 536 CO 0.06 0.50 0.24 0.58 0.09 0.00 0.00 178.44 179.91 1jdh h VAL 537 N 0.86 1.24 -0.52 1.22 2.07 -1.08 -0.47 116.25 119.57 1jdh h VAL 537 Ca 0.28 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 67.04 1jdh h VAL 537 Cb 0.01 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1jdh h VAL 537 CO -0.10 0.30 0.33 1.56 0.02 0.00 0.00 177.57 179.67 1jdh h GLN 538 N 0.91 0.64 -0.61 1.57 4.20 -0.26 0.14 115.11 121.70 1jdh h GLN 538 Ca 0.21 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 1jdh h GLN 538 Cb 0.23 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1jdh h GLN 538 CO -0.02 0.42 0.13 -0.07 -0.67 0.00 0.00 178.83 178.62 1jdh h LEU 539 N 0.66 0.94 0.33 1.46 3.38 -0.79 -1.63 115.31 119.65 1jdh h LEU 539 Ca 0.20 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1jdh h LEU 539 Cb -0.03 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1jdh h LEU 539 CO -0.07 0.94 -0.17 0.25 0.09 0.00 0.00 178.44 179.48 1jdh h LEU 540 N 0.89 -0.41 -0.30 1.67 5.85 -0.64 0.12 115.31 122.49 1jdh h LEU 540 Ca 0.19 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.98 1jdh h LEU 540 Cb 0.38 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 1jdh h LEU 540 CO 0.01 -0.28 -0.04 0.58 -0.34 0.00 0.00 178.44 178.36 1jdh h VAL 541 N -0.46 0.73 0.14 1.05 2.07 -0.88 0.15 116.25 119.06 1jdh h VAL 541 Ca -0.04 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1jdh h VAL 541 Cb 0.36 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1jdh h VAL 541 CO 0.06 0.01 -0.07 0.03 0.02 0.00 0.00 177.57 177.62 1jdh h ARG 542 N 0.04 -0.18 -0.60 1.57 -0.00 -1.14 -1.34 114.38 112.73 1jdh h ARG 542 Ca 0.15 0.01 0.02 0.00 -0.50 0.00 0.00 59.98 59.66 1jdh h ARG 542 Cb 0.21 0.04 -0.03 0.00 0.00 0.00 0.00 29.97 30.19 1jdh h ARG 542 CO -0.28 -0.12 0.38 0.00 0.00 0.00 0.00 179.97 179.95 1jdh h ALA 543 N 0.66 0.77 -0.87 0.04 0.00 -0.40 -2.26 119.26 117.21 1jdh h ALA 543 Ca -0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1jdh h ALA 543 Cb 0.15 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1jdh h ALA 543 CO 0.03 0.15 0.47 1.25 0.00 0.00 0.00 179.25 181.15 1jdh h HIS 544 N 0.77 1.20 -0.20 0.00 6.17 -0.59 -2.28 115.15 120.21 1jdh h HIS 544 Ca 0.23 -0.03 0.05 0.00 0.71 0.00 0.00 60.37 61.33 1jdh h HIS 544 Cb -0.04 -0.38 -0.05 0.00 2.52 0.00 0.00 27.41 29.46 1jdh h HIS 544 CO -0.04 0.83 -0.14 0.37 0.71 0.00 0.00 177.93 179.65 1jdh h GLN 545 N 1.22 -0.14 -0.51 5.26 5.75 -0.67 -2.47 115.11 123.55 1jdh h GLN 545 Ca 0.30 0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.83 1jdh h GLN 545 Cb 0.04 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.59 1jdh h GLN 545 CO -0.05 -0.09 0.31 -0.44 -2.65 0.00 0.00 178.83 175.91 1jdh h ASP 546 N -0.15 0.51 0.13 -0.69 5.19 -1.05 -1.76 116.42 118.62 1jdh h ASP 546 Ca 0.12 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1jdh h ASP 546 Cb 0.32 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.72 1jdh h ASP 546 CO -0.29 0.37 0.00 0.71 -3.12 0.00 0.00 179.24 176.91 1jdh h THR 547 N 0.63 0.00 -0.17 0.35 1.35 -0.99 -3.52 112.91 110.55 1jdh h THR 547 Ca 0.20 -0.06 -0.00 0.00 -0.55 0.00 0.00 66.41 66.00 1jdh h THR 547 Cb -0.00 0.93 -0.00 0.00 -1.73 0.00 0.00 68.15 67.35 1jdh h THR 547 CO -0.08 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.19 1jdh n GLN 548 N -2.86 2.18 -1.27 4.72 1.13 -0.67 -5.11 117.38 115.50 1jdh n GLN 548 Ca -0.02 -0.95 -0.50 0.00 -1.94 0.00 0.00 57.00 53.59 1jdh n GLN 548 Cb 0.09 -1.73 -0.12 0.00 0.11 0.00 0.00 30.24 28.59 1jdh n GLN 548 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1jdh n PHE 560 N 0.19 0.88 -3.79 1.08 3.72 -1.26 -5.13 117.46 113.15 1jdh n PHE 560 Ca 0.08 0.59 -0.37 0.00 -0.05 0.00 0.00 57.45 57.70 1jdh n PHE 560 Cb 0.54 -2.19 -0.13 0.00 -0.94 0.00 0.00 39.48 36.76 1jdh n PHE 560 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1jdh s VAL 561 N 6.74 3.67 -1.72 -4.37 -7.23 0.31 -4.45 120.40 113.35 1jdh s VAL 561 Ca 1.19 -1.00 -0.01 0.00 -1.81 0.00 0.00 61.98 60.34 1jdh s VAL 561 Cb -1.33 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 32.61 1jdh s VAL 561 CO 0.56 -0.05 0.18 1.21 -0.31 0.00 0.00 175.10 176.70 1jdh n GLU 562 N 4.80 -2.67 -0.17 4.82 2.13 -1.26 -1.59 120.64 126.70 1jdh n GLU 562 Ca -0.14 0.98 0.00 0.00 0.66 0.00 0.00 57.16 58.67 1jdh n GLU 562 Cb 0.46 -5.71 0.00 0.00 0.27 0.00 0.00 31.44 26.46 1jdh n GLU 562 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jdh n GLY 563 N -1.17 1.25 3.40 8.31 0.00 -1.26 -4.57 105.19 111.14 1jdh n GLY 563 Ca -0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 1jdh n GLY 563 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jdh s VAL 564 N -2.68 2.45 -0.17 1.61 1.01 -0.62 -4.99 120.40 117.01 1jdh s VAL 564 Ca 0.00 -1.32 -0.26 0.00 0.00 0.00 0.00 61.98 60.40 1jdh s VAL 564 Cb 0.00 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 1jdh s VAL 564 CO 0.00 0.34 0.87 -0.13 0.00 0.00 0.00 175.10 176.18 1jdh s ARG 565 N -1.38 4.30 0.55 2.72 0.52 -1.26 0.11 118.95 124.50 1jdh s ARG 565 Ca 0.13 1.08 0.22 0.00 -0.52 0.00 0.00 55.73 56.65 1jdh s ARG 565 Cb -0.10 -3.58 1.46 0.00 0.52 0.00 0.00 34.95 33.25 1jdh s ARG 565 CO 0.04 -0.37 2.13 0.52 0.02 0.00 0.00 175.30 177.64 1jdh h MET 566 N 7.34 0.00 -0.45 3.54 2.86 -1.90 0.04 114.93 126.37 1jdh h MET 566 Ca -0.28 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.41 1jdh h MET 566 Cb 1.12 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.76 1jdh h MET 566 CO 0.85 0.00 0.30 0.93 1.06 0.00 0.00 176.91 180.06 1jdh h GLU 567 N 0.00 0.41 -0.04 1.72 3.07 -1.91 0.15 114.58 117.98 1jdh h GLU 567 Ca 0.06 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 58.79 1jdh h GLU 567 Cb 0.27 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 1jdh h GLU 567 CO -0.00 0.27 -0.44 0.93 -1.40 0.00 0.00 179.01 178.37 1jdh h GLU 568 N 0.42 0.10 -0.18 2.33 5.08 -1.38 -1.81 114.58 119.14 1jdh h GLU 568 Ca 0.19 -0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 58.30 1jdh h GLU 568 Cb 0.22 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.48 1jdh h GLU 568 CO -0.05 0.53 -0.67 0.82 -1.00 0.00 0.00 179.01 178.64 1jdh h ILE 569 N 0.08 1.29 -0.07 3.13 1.08 -1.00 -0.99 117.51 121.03 1jdh h ILE 569 Ca 0.00 -1.87 0.00 0.00 -0.39 0.00 0.00 64.86 62.61 1jdh h ILE 569 Cb 0.82 1.92 -0.01 0.00 -3.07 0.00 0.00 36.82 36.49 1jdh h ILE 569 CO 0.06 0.59 0.03 0.58 -0.69 0.00 0.00 178.15 178.73 1jdh h VAL 570 N 0.50 0.99 -0.43 1.67 2.07 -1.11 0.15 116.25 120.10 1jdh h VAL 570 Ca -0.03 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1jdh h VAL 570 Cb 1.29 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 1jdh h VAL 570 CO 0.14 0.01 0.28 -0.08 0.02 0.00 0.00 177.57 177.94 1jdh h GLU 571 N 0.07 0.57 -0.19 1.57 4.81 -1.34 -1.33 114.58 118.74 1jdh h GLU 571 Ca 0.03 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1jdh h GLU 571 Cb 0.01 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1jdh h GLU 571 CO -0.02 0.40 0.00 0.78 -0.73 0.00 0.00 179.01 179.43 1jdh h GLY 572 N 0.58 0.36 0.92 1.92 0.00 -0.87 -0.82 103.07 105.16 1jdh h GLY 572 Ca 0.16 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 1jdh h GLY 572 CO -0.03 0.24 0.00 0.00 0.00 0.00 0.00 176.54 176.75 1jdh h THR 574 N 0.46 1.21 -0.31 0.00 2.02 -1.26 -0.26 112.91 114.76 1jdh h THR 574 Ca 0.10 -0.95 -0.18 0.00 0.77 0.00 0.00 66.41 66.16 1jdh h THR 574 Cb 0.45 1.32 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1jdh h THR 574 CO 0.02 0.29 -0.51 1.23 0.37 0.00 0.00 175.52 176.92 1jdh h GLY 575 N 0.85 0.97 0.99 2.16 0.00 -0.91 -0.71 103.07 106.42 1jdh h GLY 575 Ca 0.04 -1.10 -0.02 0.00 0.00 0.00 0.00 47.33 46.24 1jdh h GLY 575 CO 0.03 0.99 0.28 0.00 0.00 0.00 0.00 176.54 177.84 1jdh h ALA 576 N 0.70 0.74 -0.27 3.60 0.00 -0.68 -2.22 119.26 121.12 1jdh h ALA 576 Ca 0.02 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1jdh h ALA 576 Cb 1.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1jdh h ALA 576 CO 0.12 0.31 -0.22 -0.07 0.00 0.00 0.00 179.25 179.38 1jdh h LEU 577 N 0.78 0.51 -0.26 0.00 3.38 -0.97 -0.95 115.31 117.80 1jdh h LEU 577 Ca 0.20 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1jdh h LEU 577 Cb 0.12 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1jdh h LEU 577 CO -0.02 0.74 0.12 -0.74 0.09 0.00 0.00 178.44 178.62 1jdh h HIS 578 N 0.46 0.22 -0.39 1.13 2.76 -0.68 0.52 115.15 119.17 1jdh h HIS 578 Ca 0.07 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.15 1jdh h HIS 578 Cb 0.64 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.53 1jdh h HIS 578 CO 0.02 0.12 -0.14 0.82 -1.30 0.00 0.00 177.93 177.45 1jdh h ILE 579 N 0.25 1.28 0.00 6.26 1.08 -1.16 -2.91 117.51 122.31 1jdh h ILE 579 Ca 0.11 -1.25 -0.03 0.00 -0.39 0.00 0.00 64.86 63.30 1jdh h ILE 579 Cb 0.05 1.27 -0.00 0.00 -3.07 0.00 0.00 36.82 35.06 1jdh h ILE 579 CO -0.09 0.42 -0.14 -0.07 -0.69 0.00 0.00 178.15 177.58 1jdh h LEU 580 N 0.59 0.00 0.00 1.44 3.38 -0.90 -2.18 115.31 117.64 1jdh h LEU 580 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1jdh h LEU 580 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1jdh h LEU 580 CO 0.05 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.71 1jdh n ALA 581 N -2.40 2.10 0.29 1.53 0.00 0.15 -2.31 120.51 119.88 1jdh n ALA 581 Ca -0.02 -0.10 0.17 0.00 0.00 0.00 0.00 53.44 53.48 1jdh n ALA 581 Cb 0.22 -1.29 0.68 0.00 0.00 0.00 0.00 19.45 19.06 1jdh n ALA 581 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jdh h ARG 582 N 0.00 0.00 -5.19 0.00 3.08 -1.49 -3.43 114.38 107.36 1jdh h ARG 582 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 1jdh h ARG 582 Cb 0.06 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 29.97 1jdh h ARG 582 CO 0.00 0.00 -0.33 0.34 -1.07 0.00 0.00 179.97 178.91 1jdh s ASP 583 N -5.50 6.25 0.26 7.04 -1.08 -0.98 -4.99 116.67 117.67 1jdh s ASP 583 Ca 0.01 0.28 -0.01 0.00 -0.52 0.00 0.00 52.55 52.31 1jdh s ASP 583 Cb 0.09 -2.18 0.56 0.00 -1.46 0.00 0.00 42.92 39.93 1jdh s ASP 583 CO 0.52 -0.07 1.70 1.62 0.52 0.00 0.00 175.17 179.46 1jdh h VAL 584 N 5.19 0.54 -0.56 1.11 3.04 -1.89 -0.45 116.25 123.22 1jdh h VAL 584 Ca -0.35 -0.13 -0.08 0.00 -1.01 0.00 0.00 66.70 65.14 1jdh h VAL 584 Cb 1.17 0.13 -0.02 0.00 -2.01 0.00 0.00 31.29 30.56 1jdh h VAL 584 CO 0.66 0.07 0.05 0.45 -1.01 0.00 0.00 177.57 177.79 1jdh h HIS 585 N 0.37 1.04 -0.10 3.17 3.86 -1.94 -2.64 115.15 118.90 1jdh h HIS 585 Ca 0.47 -0.16 -0.07 0.00 -1.16 0.00 0.00 60.37 59.45 1jdh h HIS 585 Cb 0.81 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 1jdh h HIS 585 CO -0.19 0.92 -0.24 -0.91 0.86 0.00 0.00 177.93 178.37 1jdh h ASN 586 N 0.85 0.17 -0.40 2.45 2.35 -1.44 -2.64 115.58 116.92 1jdh h ASN 586 Ca 0.17 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 1jdh h ASN 586 Cb 0.47 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 1jdh h ASN 586 CO 0.02 0.42 0.17 0.03 -1.65 0.00 0.00 177.43 176.41 1jdh h ARG 587 N 0.16 0.64 -0.25 0.81 3.08 -0.77 -0.16 114.38 117.88 1jdh h ARG 587 Ca 0.03 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 1jdh h ARG 587 Cb 0.52 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1jdh h ARG 587 CO 0.04 0.54 -0.03 0.82 -1.07 0.00 0.00 179.97 180.27 1jdh h ILE 588 N 0.64 1.27 -0.21 2.04 2.04 -1.35 -0.03 117.51 121.91 1jdh h ILE 588 Ca 0.15 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 1jdh h ILE 588 Cb 0.15 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1jdh h ILE 588 CO -0.01 0.31 0.08 0.58 0.00 0.00 0.00 178.15 179.11 1jdh h VAL 589 N 0.23 1.17 -0.49 1.67 2.07 -1.31 0.11 116.25 119.71 1jdh h VAL 589 Ca 0.07 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.06 1jdh h VAL 589 Cb 0.47 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1jdh h VAL 589 CO 0.02 0.17 0.32 0.40 0.02 0.00 0.00 177.57 178.50 1jdh h ILE 590 N 0.19 1.11 -0.55 4.57 2.04 -1.01 -2.60 117.51 121.26 1jdh h ILE 590 Ca 0.07 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1jdh h ILE 590 Cb 0.19 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1jdh h ILE 590 CO -0.00 0.12 0.28 -0.09 0.00 0.00 0.00 178.15 178.45 1jdh h ARG 591 N 0.64 0.78 0.00 2.37 9.65 -0.79 -2.86 114.38 124.17 1jdh h ARG 591 Ca 0.18 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 1jdh h ARG 591 Cb -0.06 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.38 1jdh h ARG 591 CO -0.05 0.63 0.00 0.78 2.80 0.00 0.00 179.97 184.13 1jdh h GLY 592 N 0.73 0.00 -1.59 2.80 0.00 -0.41 -2.47 103.07 102.13 1jdh h GLY 592 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1jdh h GLY 592 CO -0.03 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.55 1jdh n LEU 593 N -2.72 2.31 -3.63 3.11 4.77 -1.04 -4.92 117.00 114.89 1jdh n LEU 593 Ca -0.01 -1.16 -0.29 0.00 -0.03 0.00 0.00 56.01 54.52 1jdh n LEU 593 Cb 0.16 -0.38 0.05 0.00 -2.33 0.00 0.00 43.42 40.92 1jdh n LEU 593 CO 0.20 0.42 -0.06 -3.20 -1.33 0.00 0.00 177.39 173.42 1jdh n ASN 594 N 0.36 -5.52 -0.01 -1.43 4.05 -0.93 -4.93 115.26 106.85 1jdh n ASN 594 Ca 0.11 -0.97 0.10 0.00 0.45 0.00 0.00 54.58 54.27 1jdh n ASN 594 Cb 0.44 -3.59 -0.15 0.00 1.23 0.00 0.00 39.78 37.71 1jdh n ASN 594 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1jdh n THR 595 N -4.04 0.00 -0.15 -0.44 -2.24 -1.26 -4.60 114.28 101.56 1jdh n THR 595 Ca -0.09 -0.44 -0.03 0.00 -2.27 0.00 0.00 64.05 61.21 1jdh n THR 595 Cb 0.59 0.07 0.05 0.00 -2.10 0.00 0.00 70.33 68.94 1jdh n THR 595 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1jdh h ILE 596 N 0.00 0.74 -0.98 2.28 2.04 -1.87 -0.19 117.51 119.53 1jdh h ILE 596 Ca 0.00 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 65.84 1jdh h ILE 596 Cb 0.90 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 1jdh h ILE 596 CO 0.00 0.04 0.64 1.55 0.00 0.00 0.00 178.15 180.38 1jdh h PRO 597 N 0.22 1.15 -0.49 2.37 0.13 -1.94 -0.79 132.00 132.65 1jdh h PRO 597 Ca 0.23 -0.07 -0.09 0.00 -0.87 0.00 0.00 66.00 65.20 1jdh h PRO 597 Cb 0.30 -0.26 -0.02 0.00 0.13 0.00 0.00 31.00 31.16 1jdh h PRO 597 CO -0.31 0.76 -0.04 1.25 -0.23 0.00 0.00 178.00 179.44 1jdh h LEU 598 N 1.18 0.87 -1.07 1.56 5.85 -1.62 -2.27 115.31 119.81 1jdh h LEU 598 Ca 0.41 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1jdh h LEU 598 Cb 0.10 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1jdh h LEU 598 CO -0.15 0.99 0.26 -0.26 -0.34 0.00 0.00 178.44 178.94 1jdh h PHE 599 N 0.74 0.92 -0.45 1.25 0.04 -0.39 -2.13 116.94 116.91 1jdh h PHE 599 Ca 0.13 -0.05 -0.10 0.00 2.80 0.00 0.00 57.97 60.76 1jdh h PHE 599 Cb 0.56 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 1jdh h PHE 599 CO 0.04 0.70 -0.10 0.28 -0.60 0.00 0.00 178.31 178.63 1jdh h VAL 600 N 0.90 1.26 -0.36 -0.55 2.07 -0.99 -2.77 116.25 115.81 1jdh h VAL 600 Ca 0.21 -1.18 -0.06 0.00 0.82 0.00 0.00 66.70 66.50 1jdh h VAL 600 Cb 0.17 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1jdh h VAL 600 CO -0.02 0.40 -0.02 1.56 0.02 0.00 0.00 177.57 179.51 1jdh h GLN 601 N 0.74 0.57 0.00 1.57 7.50 -0.84 -2.35 115.11 122.29 1jdh h GLN 601 Ca 0.12 -0.13 0.00 0.00 0.50 0.00 0.00 58.65 59.14 1jdh h GLN 601 Cb 0.59 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 28.05 1jdh h GLN 601 CO 0.04 0.60 0.00 -0.07 -1.50 0.00 0.00 178.83 177.90 1jdh h LEU 602 N 0.54 0.00 -1.69 1.46 3.38 -1.10 -1.54 115.31 116.36 1jdh h LEU 602 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1jdh h LEU 602 Cb 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1jdh h LEU 602 CO 0.01 0.00 -0.04 -0.07 0.09 0.00 0.00 178.44 178.43 1jdh h LEU 603 N 0.00 0.00 -1.08 1.67 3.38 -1.44 -1.55 115.31 116.29 1jdh h LEU 603 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jdh h LEU 603 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1jdh h LEU 603 CO 0.00 0.04 0.00 -1.22 0.09 0.00 0.00 178.44 177.35 1jdh n TYR 604 N -3.18 0.11 -2.00 1.13 4.01 -0.58 -4.89 117.16 111.76 1jdh n TYR 604 Ca -0.00 -0.05 -0.41 0.00 -0.16 0.00 0.00 57.90 57.27 1jdh n TYR 604 Cb 0.28 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.29 1jdh n TYR 604 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1jdh s SER 605 N -1.79 6.62 0.02 7.72 0.15 -0.58 -4.89 113.70 120.95 1jdh s SER 605 Ca 0.35 2.77 0.20 0.00 0.70 0.00 0.00 55.95 59.97 1jdh s SER 605 Cb 0.19 -2.64 0.84 0.00 -1.71 0.00 0.00 66.02 62.70 1jdh s SER 605 CO 0.30 -0.68 1.63 -0.81 1.20 0.00 0.00 173.24 174.88 1jdh n PRO 606 N 1.31 0.02 -3.10 5.44 -0.04 -1.26 -4.64 135.00 132.72 1jdh n PRO 606 Ca 0.03 0.18 -0.42 0.00 -0.04 0.00 0.00 63.50 63.25 1jdh n PRO 606 Cb 0.40 -1.53 -0.07 0.00 -0.04 0.00 0.00 33.50 32.27 1jdh n PRO 606 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1jdh s ILE 607 N -3.02 4.88 0.23 0.52 1.01 -1.26 -4.96 121.20 118.59 1jdh s ILE 607 Ca 0.09 0.56 -0.07 0.00 0.00 0.00 0.00 60.65 61.23 1jdh s ILE 607 Cb 0.13 -4.09 0.21 0.00 0.01 0.00 0.00 42.46 38.71 1jdh s ILE 607 CO 0.37 -0.34 1.69 -0.08 0.00 0.00 0.00 174.94 176.57 1jdh h GLU 608 N 8.50 0.25 0.00 2.79 4.81 -2.00 -0.68 114.58 128.24 1jdh h GLU 608 Ca -0.26 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.92 1jdh h GLU 608 Cb 1.11 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 1jdh h GLU 608 CO 0.84 0.16 -0.14 -0.91 -0.73 0.00 0.00 179.01 178.24 1jdh h ASN 609 N 0.25 0.00 0.29 1.04 2.35 -1.97 -1.71 115.58 115.84 1jdh h ASN 609 Ca 0.38 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.83 1jdh h ASN 609 Cb 0.62 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.02 1jdh h ASN 609 CO -0.48 0.14 -1.29 0.40 -1.65 0.00 0.00 177.43 174.55 1jdh h ILE 610 N 0.00 1.34 -0.53 2.81 2.04 -1.51 -2.88 117.51 118.77 1jdh h ILE 610 Ca -0.00 -2.65 -0.04 0.00 1.00 0.00 0.00 64.86 63.16 1jdh h ILE 610 Cb 0.37 2.83 -0.02 0.00 -0.74 0.00 0.00 36.82 39.26 1jdh h ILE 610 CO 0.02 0.79 0.15 1.56 0.00 0.00 0.00 178.15 180.67 1jdh h GLN 611 N 0.19 0.80 0.16 2.37 4.20 -1.07 -1.37 115.11 120.39 1jdh h GLN 611 Ca -0.19 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.36 1jdh h GLN 611 Cb 1.98 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.63 1jdh h GLN 611 CO 0.24 0.71 -0.08 -0.09 -0.67 0.00 0.00 178.83 178.94 1jdh h ARG 612 N 0.78 -0.21 0.00 1.46 2.43 -1.31 -1.06 114.38 116.46 1jdh h ARG 612 Ca 0.17 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.28 1jdh h ARG 612 Cb 0.26 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1jdh h ARG 612 CO -0.01 0.02 -0.39 -0.39 -1.51 0.00 0.00 179.97 177.70 1jdh h VAL 613 N -0.41 1.12 -0.11 0.20 -1.51 -1.43 0.78 116.25 114.89 1jdh h VAL 613 Ca -0.02 -1.40 -0.03 0.00 -1.23 0.00 0.00 66.70 64.01 1jdh h VAL 613 Cb 0.32 1.79 -0.00 0.00 -2.13 0.00 0.00 31.29 31.27 1jdh h VAL 613 CO 0.04 0.38 -0.05 0.00 -1.23 0.00 0.00 177.57 176.70 1jdh h ALA 614 N 1.61 0.16 -0.33 5.19 0.00 -1.16 -0.95 119.26 123.78 1jdh h ALA 614 Ca -0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1jdh h ALA 614 Cb 0.76 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1jdh h ALA 614 CO 0.05 -0.06 -0.17 0.00 0.00 0.00 0.00 179.25 179.07 1jdh h ALA 615 N 0.65 1.09 -0.28 0.00 0.00 -1.01 -1.52 119.26 118.20 1jdh h ALA 615 Ca 0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1jdh h ALA 615 Cb 0.51 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1jdh h ALA 615 CO 0.02 0.56 0.12 0.78 0.00 0.00 0.00 179.25 180.72 1jdh h GLY 616 N 0.98 0.44 1.71 0.00 0.00 -0.70 0.23 103.07 105.73 1jdh h GLY 616 Ca 0.09 -0.24 -0.13 0.00 0.00 0.00 0.00 47.33 47.06 1jdh h GLY 616 CO 0.04 0.22 -0.48 -0.24 0.00 0.00 0.00 176.54 176.08 1jdh h VAL 617 N 0.31 1.33 -0.38 4.60 3.04 -1.01 -1.98 116.25 122.17 1jdh h VAL 617 Ca 0.09 -1.70 -0.13 0.00 -1.01 0.00 0.00 66.70 63.95 1jdh h VAL 617 Cb 0.16 1.77 -0.01 0.00 -2.01 0.00 0.00 31.29 31.20 1jdh h VAL 617 CO -0.01 0.51 -0.28 -0.07 -1.01 0.00 0.00 177.57 176.72 1jdh h LEU 618 N 0.25 0.83 -0.43 3.16 3.38 -1.07 -0.94 115.31 120.49 1jdh h LEU 618 Ca 0.01 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.68 1jdh h LEU 618 Cb 0.95 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1jdh h LEU 618 CO 0.08 1.05 0.25 0.00 0.09 0.00 0.00 178.44 179.91 1jdh h GLU 620 N 0.51 0.39 -0.69 0.00 4.39 -1.17 -3.04 114.58 114.96 1jdh h GLU 620 Ca 0.18 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1jdh h GLU 620 Cb 0.02 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 1jdh h GLU 620 CO -0.09 0.55 0.39 -0.07 -1.16 0.00 0.00 179.01 178.63 1jdh h LEU 621 N 0.18 0.84 -0.29 1.33 3.38 -0.86 -2.57 115.31 117.32 1jdh h LEU 621 Ca 0.07 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1jdh h LEU 621 Cb 0.36 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1jdh h LEU 621 CO 0.01 0.67 0.00 0.00 0.09 0.00 0.00 178.44 179.21 1jdh n ALA 622 N -2.43 1.12 0.32 1.53 0.00 0.49 -2.23 120.51 119.30 1jdh n ALA 622 Ca 0.07 0.03 0.20 0.00 0.00 0.00 0.00 53.44 53.74 1jdh n ALA 622 Cb 0.09 -1.10 1.04 0.00 0.00 0.00 0.00 19.45 19.48 1jdh n ALA 622 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1jdh h GLN 623 N 0.00 0.00 -4.94 0.00 4.20 -1.53 -3.39 115.11 109.44 1jdh h GLN 623 Ca 0.00 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 58.06 1jdh h GLN 623 Cb 0.05 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 27.62 1jdh h GLN 623 CO 0.00 0.01 -0.59 -0.51 -0.67 0.00 0.00 178.83 177.07 1jdh s ASP 624 N -5.49 5.39 0.10 1.46 -0.00 -0.95 -5.03 116.67 112.15 1jdh s ASP 624 Ca -0.04 -0.14 -0.19 0.00 -0.00 0.00 0.00 52.55 52.18 1jdh s ASP 624 Cb 0.13 -1.98 -0.04 0.00 -0.00 0.00 0.00 42.92 41.02 1jdh s ASP 624 CO 0.47 -0.03 1.20 2.29 -0.00 0.00 0.00 175.17 179.10 1jdh n LYS 625 N 4.93 -0.27 -0.33 8.23 -0.00 -1.26 -0.68 118.16 128.77 1jdh n LYS 625 Ca -0.16 1.18 0.12 0.00 -0.00 0.00 0.00 58.31 59.46 1jdh n LYS 625 Cb 0.52 -1.75 0.33 0.00 -0.00 0.00 0.00 35.03 34.14 1jdh n LYS 625 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1jdh h GLU 626 N 0.00 0.74 -0.11 -1.58 4.11 -1.95 0.57 114.58 116.37 1jdh h GLU 626 Ca 0.10 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 59.45 1jdh h GLU 626 Cb 0.25 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1jdh h GLU 626 CO -0.58 0.49 -0.06 0.00 0.07 0.00 0.00 179.01 178.93 1jdh h ALA 627 N 1.61 0.15 -0.51 1.06 0.00 -1.18 -1.05 119.26 119.34 1jdh h ALA 627 Ca 0.53 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 55.26 1jdh h ALA 627 Cb 0.82 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1jdh h ALA 627 CO -0.31 -0.06 0.34 0.00 0.00 0.00 0.00 179.25 179.23 1jdh h ALA 628 N 0.63 2.03 -0.20 0.00 0.00 0.12 0.14 119.26 121.97 1jdh h ALA 628 Ca 0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1jdh h ALA 628 Cb 0.53 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1jdh h ALA 628 CO 0.02 -0.13 -0.20 0.93 0.00 0.00 0.00 179.25 179.86 1jdh h GLU 629 N 0.34 0.49 -0.55 0.00 5.08 -0.63 -1.63 114.58 117.69 1jdh h GLU 629 Ca 0.23 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1jdh h GLU 629 Cb 0.46 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1jdh h GLU 629 CO -0.06 0.84 0.09 0.00 -1.00 0.00 0.00 179.01 178.88 1jdh h ALA 630 N 0.65 1.13 -0.58 3.43 0.00 0.14 -0.28 119.26 123.74 1jdh h ALA 630 Ca 0.03 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1jdh h ALA 630 Cb 0.75 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1jdh h ALA 630 CO 0.05 0.57 0.08 0.82 0.00 0.00 0.00 179.25 180.77 1jdh h ILE 631 N 0.82 1.26 -0.38 0.00 2.04 -0.73 -2.72 117.51 117.81 1jdh h ILE 631 Ca 0.17 -1.02 -0.09 0.00 1.00 0.00 0.00 64.86 64.93 1jdh h ILE 631 Cb 0.37 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1jdh h ILE 631 CO 0.01 0.37 -0.10 -0.08 0.00 0.00 0.00 178.15 178.35 1jdh h GLU 632 N 0.87 0.73 0.00 2.37 4.81 -0.84 -2.79 114.58 119.73 1jdh h GLU 632 Ca 0.17 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1jdh h GLU 632 Cb 0.45 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 1jdh h GLU 632 CO 0.02 0.88 -0.00 0.00 -0.73 0.00 0.00 179.01 179.18 1jdh h ALA 633 N 0.83 1.06 -0.02 2.92 0.00 -0.90 -0.45 119.26 122.69 1jdh h ALA 633 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jdh h ALA 633 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1jdh h ALA 633 CO 0.04 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.68 1jdh n GLU 634 N -3.17 1.24 -2.08 0.00 -0.58 -1.04 -4.90 120.64 110.13 1jdh n GLU 634 Ca -0.03 -0.36 -0.03 0.00 -0.42 0.00 0.00 57.16 56.32 1jdh n GLU 634 Cb 0.08 -1.44 -0.00 0.00 -0.57 0.00 0.00 31.44 29.51 1jdh n GLU 634 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jdh n GLY 635 N 1.01 0.25 0.23 0.62 0.00 -0.18 -4.94 105.19 102.18 1jdh n GLY 635 Ca 0.20 -0.75 0.11 0.00 0.00 0.00 0.00 46.02 45.58 1jdh n GLY 635 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdh h ALA 636 N 0.15 1.00 -0.37 4.61 0.00 -1.66 -3.31 119.26 119.67 1jdh h ALA 636 Ca -0.08 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.74 1jdh h ALA 636 Cb 1.06 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 1jdh h ALA 636 CO 0.09 0.23 -0.05 1.15 0.00 0.00 0.00 179.25 180.66 1jdh h THR 637 N 0.00 0.66 0.42 0.00 2.02 -1.84 -1.53 112.91 112.64 1jdh h THR 637 Ca -0.00 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1jdh h THR 637 Cb 0.75 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1jdh h THR 637 CO 0.02 0.01 -0.42 0.00 0.37 0.00 0.00 175.52 175.50 1jdh h ALA 638 N 1.35 -1.09 -0.82 6.16 0.00 -1.98 -1.48 119.26 121.41 1jdh h ALA 638 Ca 0.18 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1jdh h ALA 638 Cb 0.27 0.65 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1jdh h ALA 638 CO -0.35 -1.11 0.53 -1.00 0.00 0.00 0.00 179.25 177.32 1jdh h PRO 639 N -0.83 1.04 -0.33 0.00 0.13 -1.75 -2.41 132.00 127.84 1jdh h PRO 639 Ca -0.05 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 1jdh h PRO 639 Cb 0.72 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 1jdh h PRO 639 CO -0.05 0.69 0.18 -0.07 -0.23 0.00 0.00 178.00 178.51 1jdh h LEU 640 N 1.07 0.39 -0.50 1.56 3.38 -1.18 -0.29 115.31 119.73 1jdh h LEU 640 Ca 0.31 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.12 1jdh h LEU 640 Cb -0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1jdh h LEU 640 CO -0.09 0.32 -0.30 0.74 0.09 0.00 0.00 178.44 179.21 1jdh h THR 641 N 0.45 1.27 -0.17 0.22 2.02 -0.79 -2.80 112.91 113.12 1jdh h THR 641 Ca 0.12 -1.46 -0.11 0.00 0.77 0.00 0.00 66.41 65.73 1jdh h THR 641 Cb 0.02 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1jdh h THR 641 CO -0.02 0.49 -0.36 -0.33 0.37 0.00 0.00 175.52 175.67 1jdh h GLU 642 N 0.77 0.35 0.00 6.66 5.08 -0.97 -2.66 114.58 123.81 1jdh h GLU 642 Ca 0.08 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1jdh h GLU 642 Cb 0.87 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1jdh h GLU 642 CO 0.08 0.67 0.00 1.28 -1.00 0.00 0.00 179.01 180.04 1jdh n LEU 643 N -4.06 0.34 0.31 1.33 4.77 -0.21 -1.90 117.00 117.59 1jdh n LEU 643 Ca -0.01 0.58 0.19 0.00 -0.03 0.00 0.00 56.01 56.74 1jdh n LEU 643 Cb 0.46 -0.54 1.00 0.00 -2.33 0.00 0.00 43.42 42.01 1jdh n LEU 643 CO 0.42 -0.41 1.11 -0.07 -1.33 0.00 0.00 177.39 177.11 1jdh h LEU 644 N 0.00 0.00 -2.98 2.23 3.38 -1.27 -0.01 115.31 116.66 1jdh h LEU 644 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jdh h LEU 644 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1jdh h LEU 644 CO 0.00 0.02 0.00 1.41 0.09 0.00 0.00 178.44 179.96 1jdh n HIS 645 N -3.27 1.51 -1.95 1.13 8.25 -0.80 -4.82 115.22 115.28 1jdh n HIS 645 Ca -0.02 -0.57 -0.38 0.00 -0.26 0.00 0.00 57.72 56.49 1jdh n HIS 645 Cb 0.15 -0.30 0.03 0.00 1.12 0.00 0.00 29.99 30.99 1jdh n HIS 645 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1jdh s SER 646 N -0.81 5.53 0.29 0.41 0.15 -0.02 -4.89 113.70 114.35 1jdh s SER 646 Ca 0.47 2.59 0.26 0.00 0.70 0.00 0.00 55.95 59.97 1jdh s SER 646 Cb 0.32 -2.62 0.89 0.00 -1.71 0.00 0.00 66.02 62.90 1jdh s SER 646 CO 0.20 -1.38 1.76 0.08 1.20 0.00 0.00 173.24 175.10 1jdh h ARG 647 N 1.58 0.00 -5.20 5.44 0.11 -1.94 -3.42 114.38 110.94 1jdh h ARG 647 Ca -0.50 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 58.94 1jdh h ARG 647 Cb 1.28 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 32.22 1jdh h ARG 647 CO 0.58 0.00 -0.14 1.21 0.10 0.00 0.00 179.97 181.72 1jdh s ASN 648 N -4.71 6.31 0.28 0.08 3.84 -1.26 -4.97 114.94 114.52 1jdh s ASN 648 Ca 0.07 0.23 0.00 0.00 0.21 0.00 0.00 52.86 53.37 1jdh s ASN 648 Cb 0.10 -2.24 0.51 0.00 -0.55 0.00 0.00 41.25 39.07 1jdh s ASN 648 CO 0.52 -0.29 1.87 -0.33 -2.79 0.00 0.00 177.10 176.07 1jdh h GLU 649 N 8.23 1.03 -0.23 0.43 3.07 -2.00 -1.53 114.58 123.58 1jdh h GLU 649 Ca -0.30 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.49 1jdh h GLU 649 Cb 1.15 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.82 1jdh h GLU 649 CO 0.69 0.68 0.09 0.78 -1.40 0.00 0.00 179.01 179.85 1jdh h GLY 650 N 1.06 0.36 0.86 -3.84 0.00 -1.96 -0.31 103.07 99.24 1jdh h GLY 650 Ca 0.46 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 1jdh h GLY 650 CO -0.21 0.19 -0.20 -2.08 0.00 0.00 0.00 176.54 174.23 1jdh h VAL 651 N 0.21 0.57 -0.60 4.60 2.07 -1.75 -0.04 116.25 121.31 1jdh h VAL 651 Ca 0.07 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.67 1jdh h VAL 651 Cb 0.19 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 1jdh h VAL 651 CO -0.01 0.00 0.28 0.00 0.02 0.00 0.00 177.57 177.87 1jdh h ALA 652 N 0.18 0.78 -0.05 1.67 0.00 -1.23 0.03 119.26 120.64 1jdh h ALA 652 Ca -0.02 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1jdh h ALA 652 Cb 0.42 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1jdh h ALA 652 CO 0.01 -0.09 0.01 1.15 0.00 0.00 0.00 179.25 180.32 1jdh h THR 653 N 0.52 1.22 -0.90 0.00 2.02 -0.85 -2.03 112.91 112.88 1jdh h THR 653 Ca 0.28 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1jdh h THR 653 Cb 0.26 1.57 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 1jdh h THR 653 CO -0.23 0.19 0.58 1.88 0.37 0.00 0.00 175.52 178.31 1jdh h TYR 654 N -0.17 1.15 -0.29 3.16 0.99 -0.78 -1.49 116.97 119.55 1jdh h TYR 654 Ca 0.02 0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.77 1jdh h TYR 654 Cb 0.29 -0.39 -0.02 0.00 1.00 0.00 0.00 36.73 37.62 1jdh h TYR 654 CO 0.02 0.74 0.18 0.00 -0.00 0.00 0.00 178.16 179.11 1jdh h ALA 655 N 1.32 0.36 -0.83 3.88 0.00 -0.91 -1.38 119.26 121.71 1jdh h ALA 655 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1jdh h ALA 655 Cb -0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1jdh h ALA 655 CO -0.07 -0.18 0.53 0.00 0.00 0.00 0.00 179.25 179.53 1jdh h ALA 656 N 1.11 1.37 -0.62 0.00 0.00 -0.98 -1.12 119.26 119.01 1jdh h ALA 656 Ca 0.11 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1jdh h ALA 656 Cb -0.03 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 1jdh h ALA 656 CO -0.03 0.57 0.20 0.00 0.00 0.00 0.00 179.25 179.98 1jdh h ALA 657 N 1.45 0.82 -0.37 0.00 0.00 -0.75 -0.86 119.26 119.55 1jdh h ALA 657 Ca 0.30 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1jdh h ALA 657 Cb -0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1jdh h ALA 657 CO -0.06 0.48 -0.24 0.28 0.00 0.00 0.00 179.25 179.71 1jdh h VAL 658 N 0.89 1.28 -0.67 0.00 2.07 -0.77 -2.01 116.25 117.04 1jdh h VAL 658 Ca 0.20 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 1jdh h VAL 658 Cb 0.28 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1jdh h VAL 658 CO -0.01 0.46 0.39 -0.07 0.02 0.00 0.00 177.57 178.36 1jdh h LEU 659 N 0.60 0.82 -0.70 2.57 3.38 -1.06 0.45 115.31 121.38 1jdh h LEU 659 Ca 0.07 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1jdh h LEU 659 Cb 0.80 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1jdh h LEU 659 CO 0.07 0.66 0.39 0.15 0.09 0.00 0.00 178.44 179.80 1jdh h PHE 660 N 0.92 0.95 -0.10 1.13 3.04 -1.07 -2.82 116.94 118.99 1jdh h PHE 660 Ca 0.24 -0.02 -0.14 0.00 3.98 0.00 0.00 57.97 62.04 1jdh h PHE 660 Cb 0.01 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.20 1jdh h PHE 660 CO -0.01 0.66 -0.53 0.00 -2.02 0.00 0.00 178.31 176.41 1jdh h ARG 661 N 0.96 0.28 0.00 1.11 3.08 -0.79 -2.75 114.38 116.27 1jdh h ARG 661 Ca 0.25 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1jdh h ARG 661 Cb 0.02 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1jdh h ARG 661 CO -0.04 0.75 -0.03 0.52 -1.07 0.00 0.00 179.97 180.09 1jdh h MET 662 N 0.22 0.00 -0.02 0.04 2.86 -0.72 -3.49 114.93 113.83 1jdh h MET 662 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1jdh h MET 662 Cb 1.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.67 1jdh h MET 662 CO 0.09 0.03 0.00 -1.13 1.06 0.00 0.00 176.91 176.96