#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xm4 h ASP 164 N 0.00 0.55 -0.72 -1.84 -0.00 -1.99 -2.09 116.42 110.34 1xm4 h ASP 164 Ca 0.00 -0.10 -0.00 0.00 -0.00 0.00 0.00 57.03 56.93 1xm4 h ASP 164 Cb 0.00 -0.14 -0.04 0.00 -0.00 0.00 0.00 39.33 39.15 1xm4 h ASP 164 CO 0.00 0.49 0.45 0.45 -0.00 0.00 0.00 179.24 180.63 1xm4 h HIS 165 N 0.57 0.94 -0.61 4.15 3.86 -1.99 -1.89 115.15 120.17 1xm4 h HIS 165 Ca 0.15 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.31 1xm4 h HIS 165 Cb 0.07 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.20 1xm4 h HIS 165 CO -0.02 0.62 0.14 1.25 0.86 0.00 0.00 177.93 180.78 1xm4 h LEU 166 N 0.98 0.94 -0.71 2.43 5.85 -1.86 -2.09 115.31 120.85 1xm4 h LEU 166 Ca 0.26 -0.24 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 1xm4 h LEU 166 Cb -0.06 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 1xm4 h LEU 166 CO -0.05 0.93 -0.21 0.00 -0.34 0.00 0.00 178.44 178.77 1xm4 h ALA 167 N 1.04 0.89 -0.08 1.25 0.00 -1.17 -0.44 119.26 120.75 1xm4 h ALA 167 Ca 0.19 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1xm4 h ALA 167 Cb 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1xm4 h ALA 167 CO 0.00 0.63 -0.33 -0.22 0.00 0.00 0.00 179.25 179.33 1xm4 h LYS 168 N 0.68 0.16 -0.21 0.00 3.64 -1.16 -2.44 116.57 117.23 1xm4 h LYS 168 Ca 0.10 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.24 1xm4 h LYS 168 Cb 0.71 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1xm4 h LYS 168 CO 0.05 0.48 -0.56 1.49 -2.27 0.00 0.00 179.45 178.65 1xm4 h GLU 169 N 0.14 0.75 0.00 1.90 4.57 -0.84 -3.19 114.58 117.92 1xm4 h GLU 169 Ca 0.02 -0.53 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1xm4 h GLU 169 Cb 0.66 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 1xm4 h GLU 169 CO 0.05 1.15 0.00 1.28 -1.18 0.00 0.00 179.01 180.31 1xm4 n LEU 170 N -4.08 0.00 0.27 1.64 4.77 -0.22 -2.47 117.00 116.91 1xm4 n LEU 170 Ca -0.06 0.33 0.11 0.00 -0.03 0.00 0.00 56.01 56.36 1xm4 n LEU 170 Cb 0.63 -0.33 0.75 0.00 -2.33 0.00 0.00 43.42 42.14 1xm4 n LEU 170 CO 0.49 -0.11 1.07 -0.33 -1.33 0.00 0.00 177.39 177.19 1xm4 h GLU 171 N 0.00 0.00 -0.62 3.23 5.08 -1.43 -1.93 114.58 118.91 1xm4 h GLU 171 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xm4 h GLU 171 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1xm4 h GLU 171 CO 0.00 0.02 0.00 -0.25 -1.00 0.00 0.00 179.01 177.78 1xm4 n ASP 172 N -4.20 3.66 -0.32 1.42 8.00 -1.03 -4.60 116.55 119.49 1xm4 n ASP 172 Ca -0.03 -2.35 0.19 0.00 0.71 0.00 0.00 54.79 53.31 1xm4 n ASP 172 Cb 0.11 -0.50 0.40 0.00 -0.02 0.00 0.00 41.12 41.10 1xm4 n ASP 172 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1xm4 h LEU 173 N 2.98 0.30 -2.23 0.64 5.85 -1.53 -0.58 115.31 120.75 1xm4 h LEU 173 Ca 0.00 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1xm4 h LEU 173 Cb 1.16 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.38 1xm4 h LEU 173 CO 0.19 -0.14 0.00 0.59 -0.34 0.00 0.00 178.44 178.74 1xm4 n ASN 174 N -5.12 3.35 -4.31 1.25 3.02 -1.26 -4.84 115.26 107.34 1xm4 n ASN 174 Ca 0.27 -2.37 -0.26 0.00 -0.03 0.00 0.00 54.58 52.20 1xm4 n ASN 174 Cb 0.85 -0.50 -0.13 0.00 -0.61 0.00 0.00 39.78 39.39 1xm4 n ASN 174 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1xm4 s LYS 175 N -1.83 1.25 0.43 3.52 1.02 -0.23 -4.88 119.74 119.02 1xm4 s LYS 175 Ca 0.32 -1.18 0.11 0.00 0.02 0.00 0.00 55.97 55.24 1xm4 s LYS 175 Cb 0.22 -1.56 0.93 0.00 -0.52 0.00 0.00 37.83 36.90 1xm4 s LYS 175 CO 0.13 0.37 2.00 2.35 -0.92 0.00 0.00 175.35 179.28 1xm4 h TRP 176 N 4.15 0.20 0.00 3.18 2.91 -1.92 -2.51 115.95 121.96 1xm4 h TRP 176 Ca -0.47 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.54 1xm4 h TRP 176 Cb 1.17 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.76 1xm4 h TRP 176 CO 0.59 0.25 0.00 0.41 -1.03 0.00 0.00 178.44 178.67 1xm4 n GLY 177 N -1.13 -0.76 3.76 2.65 0.00 -1.26 -4.89 105.19 103.56 1xm4 n GLY 177 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1xm4 n GLY 177 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xm4 s LEU 178 N -0.97 3.96 -0.58 0.99 0.20 -0.95 -4.95 118.68 116.38 1xm4 s LEU 178 Ca 0.00 2.75 -0.09 0.00 0.69 0.00 0.00 54.13 57.48 1xm4 s LEU 178 Cb 0.00 -4.15 0.15 0.00 -0.43 0.00 0.00 46.19 41.76 1xm4 s LEU 178 CO 0.00 -1.35 0.46 0.21 -0.29 0.00 0.00 176.35 175.38 1xm4 s ASN 179 N -0.86 5.84 0.43 3.68 3.84 -1.26 -4.93 114.94 121.69 1xm4 s ASN 179 Ca 0.67 -2.28 0.21 0.00 0.21 0.00 0.00 52.86 51.67 1xm4 s ASN 179 Cb -0.40 -2.03 0.98 0.00 -0.55 0.00 0.00 41.25 39.26 1xm4 s ASN 179 CO 0.49 -0.61 1.88 -0.29 -2.79 0.00 0.00 177.10 175.78 1xm4 h ILE 180 N 5.66 0.81 -0.58 -5.21 6.09 -1.97 -2.24 117.51 120.06 1xm4 h ILE 180 Ca -0.11 -1.07 0.00 0.00 -1.37 0.00 0.00 64.86 62.31 1xm4 h ILE 180 Cb 1.04 1.65 -0.03 0.00 0.47 0.00 0.00 36.82 39.95 1xm4 h ILE 180 CO 0.82 0.26 0.37 -0.26 -3.07 0.00 0.00 178.15 176.26 1xm4 h PHE 181 N 0.00 0.74 -0.56 2.19 0.04 -1.95 -1.52 116.94 115.87 1xm4 h PHE 181 Ca -0.00 0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.70 1xm4 h PHE 181 Cb 0.63 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 1xm4 h PHE 181 CO 0.00 0.48 0.05 -0.91 -0.60 0.00 0.00 178.31 177.33 1xm4 h ASN 182 N 0.78 0.89 0.42 2.17 2.35 -1.84 -2.17 115.58 118.18 1xm4 h ASN 182 Ca 0.21 -0.21 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 1xm4 h ASN 182 Cb -0.06 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 1xm4 h ASN 182 CO -0.04 0.92 -0.52 -0.37 -1.65 0.00 0.00 177.43 175.77 1xm4 h VAL 183 N 0.87 1.37 -0.14 2.81 -1.51 -1.10 -1.87 116.25 116.68 1xm4 h VAL 183 Ca 0.17 -1.80 -0.00 0.00 -1.23 0.00 0.00 66.70 63.84 1xm4 h VAL 183 Cb 0.44 1.92 -0.01 0.00 -2.13 0.00 0.00 31.29 31.52 1xm4 h VAL 183 CO 0.02 0.52 0.08 0.00 -1.23 0.00 0.00 177.57 176.96 1xm4 h ALA 184 N 1.38 0.18 -0.35 5.19 0.00 -1.07 -2.33 119.26 122.26 1xm4 h ALA 184 Ca -0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1xm4 h ALA 184 Cb 0.96 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1xm4 h ALA 184 CO 0.07 -0.27 -0.04 0.78 0.00 0.00 0.00 179.25 179.78 1xm4 h GLY 185 N 0.12 0.61 0.80 0.00 0.00 -1.18 -1.77 103.07 101.65 1xm4 h GLY 185 Ca 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1xm4 h GLY 185 CO -0.01 0.36 -0.27 -1.72 0.00 0.00 0.00 176.54 174.90 1xm4 n TYR 186 N -4.24 0.00 -1.11 5.60 4.01 -0.72 -3.87 117.16 116.83 1xm4 n TYR 186 Ca 0.01 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.82 1xm4 n TYR 186 Cb 0.28 -0.21 0.22 0.00 -0.31 0.00 0.00 39.34 39.33 1xm4 n TYR 186 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1xm4 n SER 187 N -1.06 3.27 -3.77 7.72 3.41 -0.88 -4.65 113.62 117.65 1xm4 n SER 187 Ca 0.10 -3.19 -0.25 0.00 -0.26 0.00 0.00 58.87 55.27 1xm4 n SER 187 Cb 0.33 -0.54 0.03 0.00 -0.26 0.00 0.00 64.21 63.77 1xm4 n SER 187 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1xm4 n HIS 188 N -0.83 -2.14 -3.64 7.33 8.25 -1.23 -2.72 115.22 120.23 1xm4 n HIS 188 Ca 0.22 0.88 -0.25 0.00 -0.26 0.00 0.00 57.72 58.32 1xm4 n HIS 188 Cb 0.86 -4.30 0.07 0.00 1.12 0.00 0.00 29.99 27.75 1xm4 n HIS 188 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1xm4 n ASN 189 N -2.97 -6.19 -2.47 0.41 2.85 -0.67 -4.94 115.26 101.29 1xm4 n ASN 189 Ca -0.15 -0.57 -0.27 0.00 -0.11 0.00 0.00 54.58 53.48 1xm4 n ASN 189 Cb 0.61 -4.87 0.00 0.00 1.24 0.00 0.00 39.78 36.76 1xm4 n ASN 189 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1xm4 n ARG 190 N -4.97 3.42 -0.27 1.20 1.74 -1.10 -4.91 116.66 111.77 1xm4 n ARG 190 Ca 0.02 -4.46 -0.02 0.00 -0.77 0.00 0.00 57.85 52.61 1xm4 n ARG 190 Cb 0.55 -2.25 0.16 0.00 -1.02 0.00 0.00 32.46 29.90 1xm4 n ARG 190 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1xm4 h PRO 191 N 2.57 1.12 -0.17 5.56 0.13 -1.84 -2.77 132.00 136.60 1xm4 h PRO 191 Ca 0.31 -0.11 -0.07 0.00 -0.87 0.00 0.00 66.00 65.26 1xm4 h PRO 191 Cb 0.93 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 1xm4 h PRO 191 CO 0.86 0.80 -0.15 1.25 -0.23 0.00 0.00 178.00 180.54 1xm4 h LEU 192 N 1.13 0.43 -1.05 1.56 5.85 -1.91 -0.16 115.31 121.17 1xm4 h LEU 192 Ca 0.29 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1xm4 h LEU 192 Cb -0.01 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1xm4 h LEU 192 CO -0.05 0.81 0.00 0.41 -0.34 0.00 0.00 178.44 179.27 1xm4 n THR 193 N -4.53 0.01 0.00 1.05 -1.04 -1.04 -1.40 114.28 107.33 1xm4 n THR 193 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1xm4 n THR 193 Cb 0.37 -0.13 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 1xm4 n THR 193 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xm4 n ILE 195 N 0.42 0.00 -0.07 12.58 0.13 -0.07 -1.98 119.36 130.37 1xm4 n ILE 195 Ca 0.00 0.00 -0.14 0.00 -1.10 0.00 0.00 62.75 61.51 1xm4 n ILE 195 Cb 0.06 0.00 -0.05 0.00 -0.84 0.00 0.00 39.64 38.80 1xm4 n ILE 195 CO 0.00 0.00 0.00 0.24 2.80 0.00 0.00 176.55 179.59 1xm4 h MET 196 N 0.00 0.65 -0.41 9.51 2.86 -1.45 -1.09 114.93 124.99 1xm4 h MET 196 Ca 0.00 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 1xm4 h MET 196 Cb 0.00 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1xm4 h MET 196 CO 0.00 1.00 0.27 -0.92 1.06 0.00 0.00 176.91 178.33 1xm4 h TYR 197 N 0.35 0.52 -0.53 -0.22 3.20 -1.64 -0.24 116.97 118.41 1xm4 h TYR 197 Ca 0.02 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1xm4 h TYR 197 Cb 0.94 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 1xm4 h TYR 197 CO 0.08 0.33 0.28 0.00 -1.64 0.00 0.00 178.16 177.21 1xm4 h ALA 198 N 1.15 0.68 -0.77 1.82 0.00 -1.80 -1.86 119.26 118.48 1xm4 h ALA 198 Ca 0.15 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1xm4 h ALA 198 Cb -0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1xm4 h ALA 198 CO -0.03 0.21 0.27 0.82 0.00 0.00 0.00 179.25 180.52 1xm4 h ILE 199 N 0.71 1.26 -0.20 0.00 2.04 -1.00 -2.20 117.51 118.12 1xm4 h ILE 199 Ca 0.18 -0.88 -0.15 0.00 1.00 0.00 0.00 64.86 65.02 1xm4 h ILE 199 Cb 0.08 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1xm4 h ILE 199 CO -0.03 0.35 -0.49 -0.26 0.00 0.00 0.00 178.15 177.73 1xm4 h PHE 200 N 1.14 0.67 -0.17 1.37 -1.00 -0.75 -2.81 116.94 115.38 1xm4 h PHE 200 Ca 0.25 -0.22 -0.14 0.00 2.81 0.00 0.00 57.97 60.67 1xm4 h PHE 200 Cb 0.27 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 39.70 1xm4 h PHE 200 CO 0.02 0.93 -0.45 1.96 -1.61 0.00 0.00 178.31 179.16 1xm4 h GLN 201 N 0.43 0.60 -0.76 1.51 4.20 -1.26 -1.22 115.11 118.62 1xm4 h GLN 201 Ca 0.02 -0.42 0.09 0.00 0.06 0.00 0.00 58.65 58.40 1xm4 h GLN 201 Cb 1.01 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.79 1xm4 h GLN 201 CO 0.09 1.04 0.41 1.49 -0.67 0.00 0.00 178.83 181.19 1xm4 h GLU 202 N 0.26 0.67 -0.06 1.46 4.57 -1.38 -1.91 114.58 118.20 1xm4 h GLU 202 Ca -0.01 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1xm4 h GLU 202 Cb 1.07 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 1xm4 h GLU 202 CO 0.10 0.44 0.00 0.54 -1.18 0.00 0.00 179.01 178.91 1xm4 n ARG 203 N -4.81 1.71 -1.53 1.92 1.74 -1.06 -4.95 116.66 109.68 1xm4 n ARG 203 Ca 0.12 -1.04 -0.17 0.00 -0.77 0.00 0.00 57.85 55.98 1xm4 n ARG 203 Cb 0.27 -1.46 -0.07 0.00 -1.02 0.00 0.00 32.46 30.18 1xm4 n ARG 203 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1xm4 n ASP 204 N 0.26 -5.11 0.26 0.55 10.43 -0.72 -4.91 116.55 117.31 1xm4 n ASP 204 Ca 0.18 0.42 0.11 0.00 2.57 0.00 0.00 54.79 58.07 1xm4 n ASP 204 Cb 0.36 -4.15 0.70 0.00 1.84 0.00 0.00 41.12 39.87 1xm4 n ASP 204 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1xm4 h LEU 205 N 0.00 0.00 -0.38 0.64 3.38 -1.53 -1.50 115.31 115.91 1xm4 h LEU 205 Ca -0.36 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.43 1xm4 h LEU 205 Cb 1.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1xm4 h LEU 205 CO 0.52 0.11 -0.66 -0.07 0.09 0.00 0.00 178.44 178.44 1xm4 h LEU 206 N 0.00 0.68 0.02 1.67 3.38 -1.87 -2.16 115.31 117.03 1xm4 h LEU 206 Ca -0.00 -0.41 -0.20 0.00 0.09 0.00 0.00 57.88 57.36 1xm4 h LEU 206 Cb 0.26 -0.20 0.02 0.00 0.09 0.00 0.00 40.66 40.83 1xm4 h LEU 206 CO 0.01 1.15 -0.81 0.11 0.09 0.00 0.00 178.44 179.00 1xm4 h LYS 207 N 0.43 0.51 -0.96 1.13 1.57 -1.79 -0.03 116.57 117.44 1xm4 h LYS 207 Ca -0.02 -0.58 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 1xm4 h LYS 207 Cb 1.23 0.17 -0.05 0.00 0.08 0.00 0.00 32.23 33.67 1xm4 h LYS 207 CO 0.12 1.21 0.62 1.15 -0.57 0.00 0.00 179.45 181.98 1xm4 h THR 208 N 0.07 1.25 -0.37 -0.16 2.02 -1.31 -2.77 112.91 111.63 1xm4 h THR 208 Ca -0.11 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1xm4 h THR 208 Cb 1.51 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1xm4 h THR 208 CO 0.16 0.25 0.00 0.49 0.37 0.00 0.00 175.52 176.79 1xm4 n PHE 209 N -4.40 1.31 -3.82 3.16 3.72 -0.81 -4.99 117.46 111.63 1xm4 n PHE 209 Ca 0.11 -0.82 -0.35 0.00 -0.05 0.00 0.00 57.45 56.35 1xm4 n PHE 209 Cb 0.03 -0.37 0.03 0.00 -0.94 0.00 0.00 39.48 38.22 1xm4 n PHE 209 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1xm4 n ARG 210 N -0.08 -0.89 -3.92 -1.08 1.74 -1.01 -4.50 116.66 106.92 1xm4 n ARG 210 Ca 0.23 0.41 -0.35 0.00 -0.77 0.00 0.00 57.85 57.38 1xm4 n ARG 210 Cb 0.98 -3.29 -0.14 0.00 -1.02 0.00 0.00 32.46 28.99 1xm4 n ARG 210 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xm4 s ILE 211 N -3.38 3.26 0.45 0.55 1.01 -0.06 -4.61 121.20 118.42 1xm4 s ILE 211 Ca 0.38 -0.60 -0.24 0.00 0.00 0.00 0.00 60.65 60.20 1xm4 s ILE 211 Cb -0.17 -2.51 -0.07 0.00 0.01 0.00 0.00 42.46 39.71 1xm4 s ILE 211 CO 0.90 0.38 1.22 -0.94 0.00 0.00 0.00 174.94 176.50 1xm4 s SER 212 N 1.45 6.13 0.25 3.58 1.04 -1.26 -4.73 113.70 120.16 1xm4 s SER 212 Ca 0.05 2.43 -0.05 0.00 0.48 0.00 0.00 55.95 58.87 1xm4 s SER 212 Cb -0.15 -2.62 0.35 0.00 0.10 0.00 0.00 66.02 63.71 1xm4 s SER 212 CO -0.04 -0.96 1.86 0.28 0.98 0.00 0.00 173.24 175.37 1xm4 h SER 213 N 2.17 0.89 0.19 7.02 0.02 -1.98 -0.84 113.55 121.02 1xm4 h SER 213 Ca -0.49 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1xm4 h SER 213 Cb 1.25 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 1xm4 h SER 213 CO 0.61 0.57 -0.17 0.44 -1.14 0.00 0.00 176.83 177.13 1xm4 h ASP 214 N 1.02 -0.45 -0.84 3.07 3.45 -1.99 -0.39 116.42 120.30 1xm4 h ASP 214 Ca 0.39 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.90 1xm4 h ASP 214 Cb 0.17 0.15 -0.04 0.00 -0.56 0.00 0.00 39.33 39.06 1xm4 h ASP 214 CO -0.17 -0.26 0.54 0.74 -1.57 0.00 0.00 179.24 178.52 1xm4 h THR 215 N -0.38 1.22 -0.10 0.35 2.02 -1.73 0.18 112.91 114.48 1xm4 h THR 215 Ca -0.00 -0.44 -0.04 0.00 0.77 0.00 0.00 66.41 66.70 1xm4 h THR 215 Cb 0.35 -0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1xm4 h THR 215 CO -0.03 0.22 -0.10 0.15 0.37 0.00 0.00 175.52 176.13 1xm4 h PHE 216 N 1.15 0.29 0.22 3.16 3.57 -0.62 -2.05 116.94 122.66 1xm4 h PHE 216 Ca 0.31 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 1xm4 h PHE 216 Cb -0.10 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.58 1xm4 h PHE 216 CO 0.00 0.66 -0.11 0.82 -2.23 0.00 0.00 178.31 177.46 1xm4 h ILE 217 N -0.16 0.81 -0.74 1.41 1.08 -0.95 -0.95 117.51 118.01 1xm4 h ILE 217 Ca 0.02 -0.14 0.15 0.00 -0.39 0.00 0.00 64.86 64.49 1xm4 h ILE 217 Cb 0.61 0.90 -0.10 0.00 -3.07 0.00 0.00 36.82 35.15 1xm4 h ILE 217 CO 0.02 0.03 0.25 0.74 -0.69 0.00 0.00 178.15 178.50 1xm4 h THR 218 N -0.37 0.59 -0.08 -0.27 2.02 -0.94 0.14 112.91 114.01 1xm4 h THR 218 Ca -0.03 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1xm4 h THR 218 Cb 0.28 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1xm4 h THR 218 CO 0.05 0.07 -0.01 0.22 0.37 0.00 0.00 175.52 176.21 1xm4 h TYR 219 N 0.36 0.16 -0.52 3.16 3.20 -1.24 -2.23 116.97 119.87 1xm4 h TYR 219 Ca 0.41 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.17 1xm4 h TYR 219 Cb 0.67 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 1xm4 h TYR 219 CO -0.20 0.45 0.00 0.52 -1.64 0.00 0.00 178.16 177.29 1xm4 h MET 220 N -0.18 0.87 -0.17 1.82 2.86 -0.54 0.18 114.93 119.76 1xm4 h MET 220 Ca 0.02 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1xm4 h MET 220 Cb 0.40 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 1xm4 h MET 220 CO 0.01 0.86 0.10 0.52 1.06 0.00 0.00 176.91 179.46 1xm4 h MET 221 N 0.81 0.24 -0.47 1.72 2.86 -0.72 0.20 114.93 119.57 1xm4 h MET 221 Ca 0.15 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.70 1xm4 h MET 221 Cb 0.48 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1xm4 h MET 221 CO 0.02 0.21 0.01 1.15 1.06 0.00 0.00 176.91 179.36 1xm4 h THR 222 N 0.20 1.26 -0.09 2.22 2.02 -1.15 -1.13 112.91 116.25 1xm4 h THR 222 Ca 0.06 -1.04 0.02 0.00 0.77 0.00 0.00 66.41 66.23 1xm4 h THR 222 Cb 0.03 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1xm4 h THR 222 CO -0.01 0.36 -0.06 0.25 0.37 0.00 0.00 175.52 176.43 1xm4 h LEU 223 N 0.68 -0.20 -1.40 2.58 5.85 -0.36 -2.04 115.31 120.41 1xm4 h LEU 223 Ca 0.13 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.96 1xm4 h LEU 223 Cb 0.49 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 1xm4 h LEU 223 CO 0.02 -0.09 0.46 -0.08 -0.34 0.00 0.00 178.44 178.42 1xm4 h GLU 224 N -0.07 0.71 0.00 1.25 4.81 -0.40 -0.78 114.58 120.09 1xm4 h GLU 224 Ca 0.06 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1xm4 h GLU 224 Cb 0.16 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 1xm4 h GLU 224 CO -0.13 0.47 -0.10 -0.44 -0.73 0.00 0.00 179.01 178.08 1xm4 h ASP 225 N 0.73 0.00 0.18 1.04 3.32 -0.53 -2.68 116.42 118.48 1xm4 h ASP 225 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1xm4 h ASP 225 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1xm4 h ASP 225 CO -0.10 0.10 -0.05 1.41 -1.72 0.00 0.00 179.24 178.88 1xm4 n HIS 226 N -3.56 0.00 -3.34 4.55 8.25 -0.30 -4.71 115.22 116.11 1xm4 n HIS 226 Ca -0.02 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.06 1xm4 n HIS 226 Cb 0.23 -0.09 -0.06 0.00 1.12 0.00 0.00 29.99 31.19 1xm4 n HIS 226 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1xm4 s TYR 227 N -2.24 3.59 -0.21 4.41 1.51 -1.01 -1.20 117.35 122.20 1xm4 s TYR 227 Ca 0.36 0.96 -0.26 0.00 -1.01 0.00 0.00 57.07 57.13 1xm4 s TYR 227 Cb 0.21 -2.50 -0.01 0.00 -0.11 0.00 0.00 41.96 39.55 1xm4 s TYR 227 CO 0.41 0.30 0.87 -1.01 -1.11 0.00 0.00 175.55 175.01 1xm4 s HIS 228 N 0.12 3.36 -0.97 2.71 3.76 -1.26 -4.76 115.29 118.25 1xm4 s HIS 228 Ca 0.26 1.25 0.22 0.00 -0.15 0.00 0.00 55.06 56.64 1xm4 s HIS 228 Cb -0.16 -3.07 0.94 0.00 1.11 0.00 0.00 32.58 31.40 1xm4 s HIS 228 CO 0.12 -0.34 1.71 -1.13 -0.85 0.00 0.00 174.74 174.24 1xm4 n SER 229 N 5.71 0.05 -0.89 1.40 3.41 -1.26 -2.73 113.62 119.32 1xm4 n SER 229 Ca 0.06 0.51 0.08 0.00 -0.26 0.00 0.00 58.87 59.26 1xm4 n SER 229 Cb 0.48 -0.52 0.22 0.00 -0.26 0.00 0.00 64.21 64.13 1xm4 n SER 229 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1xm4 n ASP 230 N -1.55 2.57 -4.56 4.04 5.75 -1.26 -4.81 116.55 116.74 1xm4 n ASP 230 Ca 0.05 -1.98 -0.36 0.00 -0.01 0.00 0.00 54.79 52.49 1xm4 n ASP 230 Cb 0.26 -0.31 -0.11 0.00 -1.03 0.00 0.00 41.12 39.93 1xm4 n ASP 230 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1xm4 s VAL 231 N -1.38 4.67 0.21 2.12 1.01 -1.10 -5.03 120.40 120.90 1xm4 s VAL 231 Ca 0.33 -0.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.19 1xm4 s VAL 231 Cb 0.17 -3.15 0.05 0.00 0.00 0.00 0.00 36.38 33.45 1xm4 s VAL 231 CO 0.23 0.39 1.64 0.00 0.00 0.00 0.00 175.10 177.36 1xm4 h ALA 232 N 7.50 0.88 0.00 5.51 0.00 -1.87 -3.38 119.26 127.89 1xm4 h ALA 232 Ca -0.37 -0.34 -0.22 0.00 0.00 0.00 0.00 54.91 53.98 1xm4 h ALA 232 Cb 1.17 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1xm4 h ALA 232 CO 0.63 0.64 -1.66 0.98 0.00 0.00 0.00 179.25 179.83 1xm4 n TYR 233 N -4.14 0.00 -1.28 0.00 9.36 -1.25 -4.77 117.16 115.08 1xm4 n TYR 233 Ca 0.01 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 60.92 1xm4 n TYR 233 Cb 0.40 -0.50 -0.07 0.00 -0.63 0.00 0.00 39.34 38.54 1xm4 n TYR 233 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1xm4 n HIS 234 N -3.72 1.74 -3.67 2.98 8.25 -1.26 -4.37 115.22 115.16 1xm4 n HIS 234 Ca -0.27 -2.60 -0.03 0.00 -0.26 0.00 0.00 57.72 54.56 1xm4 n HIS 234 Cb 0.65 -2.17 -0.00 0.00 1.12 0.00 0.00 29.99 29.59 1xm4 n HIS 234 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1xm4 n ASN 235 N 3.06 1.43 0.24 0.41 0.23 -1.26 -4.51 115.26 114.87 1xm4 n ASN 235 Ca 0.67 -1.24 0.16 0.00 -0.53 0.00 0.00 54.58 53.64 1xm4 n ASN 235 Cb 0.43 0.01 0.57 0.00 -2.08 0.00 0.00 39.78 38.71 1xm4 n ASN 235 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1xm4 h SER 236 N 0.10 0.00 -0.21 0.53 4.64 -1.85 -2.74 113.55 114.01 1xm4 h SER 236 Ca -0.04 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.18 1xm4 h SER 236 Cb 0.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1xm4 h SER 236 CO 0.07 0.00 -0.19 0.25 -0.87 0.00 0.00 176.83 176.09 1xm4 h LEU 237 N 0.00 0.65 -0.42 5.97 5.85 -1.96 0.15 115.31 125.55 1xm4 h LEU 237 Ca 0.00 -0.21 -0.13 0.00 0.84 0.00 0.00 57.88 58.38 1xm4 h LEU 237 Cb 0.57 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1xm4 h LEU 237 CO 0.00 0.84 -0.25 -0.74 -0.34 0.00 0.00 178.44 177.95 1xm4 h HIS 238 N 0.58 1.07 -0.43 1.25 2.76 -1.69 -1.30 115.15 117.39 1xm4 h HIS 238 Ca 0.09 -0.28 -0.02 0.00 -2.20 0.00 0.00 60.37 57.96 1xm4 h HIS 238 Cb 0.64 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 1xm4 h HIS 238 CO 0.03 1.09 0.21 0.00 -1.30 0.00 0.00 177.93 177.95 1xm4 h ALA 239 N 0.82 0.56 -0.52 5.26 0.00 -1.45 -0.91 119.26 123.01 1xm4 h ALA 239 Ca 0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1xm4 h ALA 239 Cb 0.83 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1xm4 h ALA 239 CO 0.07 0.12 0.20 0.00 0.00 0.00 0.00 179.25 179.64 1xm4 h ALA 240 N 1.05 1.37 -0.19 0.00 0.00 -0.83 -1.11 119.26 119.55 1xm4 h ALA 240 Ca 0.15 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1xm4 h ALA 240 Cb 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1xm4 h ALA 240 CO -0.02 0.47 -0.54 0.22 0.00 0.00 0.00 179.25 179.38 1xm4 h ASP 241 N 0.75 0.64 0.00 0.00 3.58 -0.77 0.03 116.42 120.64 1xm4 h ASP 241 Ca 0.18 -0.34 -0.23 0.00 0.42 0.00 0.00 57.03 57.06 1xm4 h ASP 241 Cb 0.16 -0.18 0.01 0.00 1.72 0.00 0.00 39.33 41.04 1xm4 h ASP 241 CO -0.02 1.05 -0.86 0.58 -2.88 0.00 0.00 179.24 177.12 1xm4 h VAL 242 N 0.44 1.30 -0.06 2.25 2.07 -0.82 -0.70 116.25 120.73 1xm4 h VAL 242 Ca 0.01 -2.12 -0.01 0.00 0.82 0.00 0.00 66.70 65.40 1xm4 h VAL 242 Cb 1.09 2.15 -0.00 0.00 -1.52 0.00 0.00 31.29 33.00 1xm4 h VAL 242 CO 0.10 0.66 0.00 0.00 0.02 0.00 0.00 177.57 178.35 1xm4 h ALA 243 N 0.59 0.09 -0.61 1.67 0.00 -1.16 0.72 119.26 120.56 1xm4 h ALA 243 Ca -0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1xm4 h ALA 243 Cb 1.49 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 1xm4 h ALA 243 CO 0.17 -0.24 0.31 0.37 0.00 0.00 0.00 179.25 179.86 1xm4 h GLN 244 N -0.17 0.87 -0.45 0.00 -0.00 -0.98 -0.77 115.11 113.60 1xm4 h GLN 244 Ca 0.02 -0.12 -0.05 0.00 -0.00 0.00 0.00 58.65 58.50 1xm4 h GLN 244 Cb 0.33 -0.16 -0.02 0.00 0.00 0.00 0.00 27.48 27.63 1xm4 h GLN 244 CO 0.00 0.68 0.07 0.77 0.00 0.00 0.00 178.83 180.36 1xm4 h SER 245 N 0.83 0.65 0.08 -0.69 0.02 -0.98 -2.11 113.55 111.35 1xm4 h SER 245 Ca 0.21 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1xm4 h SER 245 Cb 0.09 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1xm4 h SER 245 CO -0.03 0.67 -0.04 0.74 -1.14 0.00 0.00 176.83 177.03 1xm4 h THR 246 N 0.67 1.07 -0.99 -2.27 2.02 -0.43 -2.00 112.91 110.99 1xm4 h THR 246 Ca 0.15 -0.56 0.24 0.00 0.77 0.00 0.00 66.41 67.00 1xm4 h THR 246 Cb 0.31 1.44 -0.12 0.00 -1.74 0.00 0.00 68.15 68.03 1xm4 h THR 246 CO 0.00 0.14 0.57 -0.74 0.37 0.00 0.00 175.52 175.86 1xm4 h HIS 247 N -0.37 0.97 -0.02 3.16 -0.00 -0.85 -0.61 115.15 117.43 1xm4 h HIS 247 Ca -0.01 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 1xm4 h HIS 247 Cb 0.31 -0.28 -0.00 0.00 -0.00 0.00 0.00 27.41 27.45 1xm4 h HIS 247 CO 0.01 0.06 -0.02 0.28 -0.00 0.00 0.00 177.93 178.27 1xm4 h VAL 248 N 0.57 1.35 -0.35 5.26 2.07 -1.20 -3.20 116.25 120.75 1xm4 h VAL 248 Ca 0.63 -1.08 0.07 0.00 0.82 0.00 0.00 66.70 67.14 1xm4 h VAL 248 Cb 1.18 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.97 1xm4 h VAL 248 CO -0.48 0.29 0.24 -0.07 0.02 0.00 0.00 177.57 177.57 1xm4 h LEU 249 N -0.38 0.16 -1.56 2.57 3.38 -0.39 -1.87 115.31 117.22 1xm4 h LEU 249 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1xm4 h LEU 249 Cb 0.47 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1xm4 h LEU 249 CO 0.00 0.11 -0.15 -0.07 0.09 0.00 0.00 178.44 178.42 1xm4 h LEU 250 N 0.19 0.00 -0.82 1.67 3.38 -1.23 -2.33 115.31 116.16 1xm4 h LEU 250 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1xm4 h LEU 250 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1xm4 h LEU 250 CO -0.03 0.15 -0.01 -1.20 0.09 0.00 0.00 178.44 177.45 1xm4 n SER 251 N -3.45 1.28 -4.71 -0.43 7.64 -0.71 -4.80 113.62 108.44 1xm4 n SER 251 Ca -0.01 -1.41 -0.42 0.00 1.01 0.00 0.00 58.87 58.04 1xm4 n SER 251 Cb 0.32 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.50 1xm4 n SER 251 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1xm4 s THR 252 N -2.02 2.30 0.50 0.44 -1.32 -0.88 -4.87 115.64 109.79 1xm4 s THR 252 Ca 0.39 0.16 0.26 0.00 -1.21 0.00 0.00 61.69 61.29 1xm4 s THR 252 Cb 0.21 -3.10 0.43 0.00 -1.51 0.00 0.00 72.50 68.53 1xm4 s THR 252 CO 0.34 0.01 1.90 -0.65 -2.21 0.00 0.00 174.62 174.02 1xm4 h PRO 253 N 7.10 0.12 0.00 7.08 0.11 -1.93 -0.67 132.00 143.83 1xm4 h PRO 253 Ca -0.43 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1xm4 h PRO 253 Cb 1.20 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xm4 h PRO 253 CO 0.94 0.08 -0.04 0.00 -0.21 0.00 0.00 178.00 178.77 1xm4 h ALA 254 N 1.61 1.08 -0.31 -0.75 0.00 -1.83 -2.90 119.26 116.17 1xm4 h ALA 254 Ca 0.40 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 1xm4 h ALA 254 Cb 1.39 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1xm4 h ALA 254 CO -0.06 0.05 0.01 1.28 0.00 0.00 0.00 179.25 180.53 1xm4 n LEU 255 N -3.26 4.13 -4.69 0.00 4.77 -0.26 -1.12 117.00 116.58 1xm4 n LEU 255 Ca -0.01 -3.09 -0.42 0.00 -0.03 0.00 0.00 56.01 52.45 1xm4 n LEU 255 Cb 0.22 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 40.71 1xm4 n LEU 255 CO 0.26 0.73 1.05 -0.62 -1.33 0.00 0.00 177.39 177.48 1xm4 s ASP 256 N -1.88 6.92 0.00 -1.43 2.15 -1.10 -3.08 116.67 118.25 1xm4 s ASP 256 Ca 0.44 2.05 0.00 0.00 0.43 0.00 0.00 52.55 55.47 1xm4 s ASP 256 Cb 0.36 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.41 1xm4 s ASP 256 CO 0.09 -0.65 0.00 0.00 -0.17 0.00 0.00 175.17 174.43 1xm4 n ALA 257 N 5.06 0.00 0.13 3.66 0.00 -1.26 -4.91 120.51 123.18 1xm4 n ALA 257 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.34 1xm4 n ALA 257 Cb 0.44 -0.64 -0.15 0.00 0.00 0.00 0.00 19.45 19.10 1xm4 n ALA 257 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xm4 h VAL 258 N 0.00 1.30 -3.19 0.00 2.07 -1.91 -3.46 116.25 111.06 1xm4 h VAL 258 Ca 0.00 -2.78 -0.58 0.00 0.82 0.00 0.00 66.70 64.16 1xm4 h VAL 258 Cb 0.41 2.98 -0.04 0.00 -1.52 0.00 0.00 31.29 33.13 1xm4 h VAL 258 CO 0.00 0.84 -0.23 -0.36 0.02 0.00 0.00 177.57 177.84 1xm4 s PHE 259 N -2.61 3.54 0.65 1.57 0.08 -1.26 -5.05 117.98 114.90 1xm4 s PHE 259 Ca -0.08 0.78 -0.11 0.00 0.12 0.00 0.00 56.93 57.63 1xm4 s PHE 259 Cb 0.05 -2.16 -0.02 0.00 -0.57 0.00 0.00 43.02 40.32 1xm4 s PHE 259 CO 0.92 0.45 1.04 0.95 -0.10 0.00 0.00 175.22 178.49 1xm4 s THR 260 N -1.52 4.35 0.21 0.64 -4.23 -1.26 -4.91 115.64 108.91 1xm4 s THR 260 Ca 0.37 0.78 -0.10 0.00 -1.18 0.00 0.00 61.69 61.56 1xm4 s THR 260 Cb -0.13 -3.62 0.14 0.00 1.34 0.00 0.00 72.50 70.22 1xm4 s THR 260 CO 0.20 -0.98 1.82 0.44 -0.54 0.00 0.00 174.62 175.55 1xm4 h ASP 261 N -0.48 0.58 -0.96 3.99 3.32 -1.99 -1.22 116.42 119.66 1xm4 h ASP 261 Ca -0.44 0.02 0.11 0.00 0.02 0.00 0.00 57.03 56.74 1xm4 h ASP 261 Cb 1.20 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 40.58 1xm4 h ASP 261 CO 0.59 0.38 0.61 0.25 -1.72 0.00 0.00 179.24 179.35 1xm4 h LEU 262 N 0.71 0.87 -0.70 1.55 5.85 -1.99 0.55 115.31 122.14 1xm4 h LEU 262 Ca 0.29 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.91 1xm4 h LEU 262 Cb 0.14 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1xm4 h LEU 262 CO -0.16 0.49 -0.54 -0.33 -0.34 0.00 0.00 178.44 177.56 1xm4 h GLU 263 N 0.94 0.31 -0.30 1.25 5.08 -1.62 -1.53 114.58 118.71 1xm4 h GLU 263 Ca 0.46 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.57 1xm4 h GLU 263 Cb 0.46 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1xm4 h GLU 263 CO -0.22 0.77 -0.05 0.82 -1.00 0.00 0.00 179.01 179.32 1xm4 h ILE 264 N 0.24 1.28 -0.57 3.13 2.04 -0.47 -2.69 117.51 120.46 1xm4 h ILE 264 Ca 0.00 -1.07 0.09 0.00 1.00 0.00 0.00 64.86 64.88 1xm4 h ILE 264 Cb 1.02 1.36 -0.07 0.00 -0.74 0.00 0.00 36.82 38.39 1xm4 h ILE 264 CO 0.09 0.34 0.20 0.25 0.00 0.00 0.00 178.15 179.03 1xm4 h LEU 265 N 0.34 0.19 0.34 1.44 5.85 -0.77 -2.11 115.31 120.58 1xm4 h LEU 265 Ca 0.08 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1xm4 h LEU 265 Cb 0.53 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1xm4 h LEU 265 CO 0.03 0.12 -0.16 0.00 -0.34 0.00 0.00 178.44 178.09 1xm4 h ALA 266 N 1.39 -0.46 -0.96 1.25 0.00 -1.12 -0.93 119.26 118.43 1xm4 h ALA 266 Ca 0.28 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1xm4 h ALA 266 Cb 0.34 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1xm4 h ALA 266 CO -0.29 -0.74 0.60 0.00 0.00 0.00 0.00 179.25 178.82 1xm4 h ALA 267 N 0.17 1.22 -0.20 0.00 0.00 -1.38 0.11 119.26 119.18 1xm4 h ALA 267 Ca -0.05 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.58 1xm4 h ALA 267 Cb 0.37 -0.39 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1xm4 h ALA 267 CO 0.08 0.66 -0.61 0.82 0.00 0.00 0.00 179.25 180.20 1xm4 h ILE 268 N 1.32 1.29 -0.66 0.00 2.04 -1.28 -1.07 117.51 119.15 1xm4 h ILE 268 Ca 0.35 -1.82 -0.03 0.00 1.00 0.00 0.00 64.86 64.37 1xm4 h ILE 268 Cb -0.09 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 1xm4 h ILE 268 CO -0.07 0.58 0.31 0.15 0.00 0.00 0.00 178.15 179.12 1xm4 h PHE 269 N 0.50 0.95 -0.11 1.37 3.57 -0.94 -2.07 116.94 120.21 1xm4 h PHE 269 Ca -0.02 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1xm4 h PHE 269 Cb 1.23 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1xm4 h PHE 269 CO 0.09 0.72 0.06 0.00 -2.23 0.00 0.00 178.31 176.95 1xm4 h ALA 270 N 1.14 0.14 -0.64 2.41 0.00 -0.65 -1.87 119.26 119.79 1xm4 h ALA 270 Ca 0.22 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.22 1xm4 h ALA 270 Cb 0.13 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.78 1xm4 h ALA 270 CO -0.03 -0.34 0.13 0.00 0.00 0.00 0.00 179.25 179.02 1xm4 h ALA 271 N 0.98 0.76 -0.54 0.00 0.00 -1.02 0.04 119.26 119.48 1xm4 h ALA 271 Ca 0.04 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1xm4 h ALA 271 Cb 0.05 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1xm4 h ALA 271 CO -0.01 -0.32 0.11 0.00 0.00 0.00 0.00 179.25 179.04 1xm4 h ALA 272 N 1.52 0.71 -0.00 0.00 0.00 -0.81 -3.16 119.26 117.52 1xm4 h ALA 272 Ca 0.34 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xm4 h ALA 272 Cb 0.53 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xm4 h ALA 272 CO -0.44 0.43 -0.29 0.44 0.00 0.00 0.00 179.25 179.39 1xm4 n ILE 273 N -4.39 0.00 0.20 0.00 -5.35 -0.75 -4.63 119.36 104.42 1xm4 n ILE 273 Ca 0.02 -0.07 0.12 0.00 -0.27 0.00 0.00 62.75 62.55 1xm4 n ILE 273 Cb 0.25 0.21 0.63 0.00 -1.74 0.00 0.00 39.64 38.98 1xm4 n ILE 273 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 1xm4 h HIS 274 N 0.67 0.00 0.00 4.28 2.07 -0.95 -1.97 115.15 119.25 1xm4 h HIS 274 Ca 0.00 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.47 1xm4 h HIS 274 Cb 0.48 0.00 -0.11 0.00 2.57 0.00 0.00 27.41 30.34 1xm4 h HIS 274 CO 0.00 0.00 -0.59 -0.25 -3.07 0.00 0.00 177.93 174.02 1xm4 n ASP 275 N -2.32 0.76 -4.76 3.10 10.43 -1.26 -4.88 116.55 117.62 1xm4 n ASP 275 Ca -0.01 -2.31 -0.41 0.00 2.57 0.00 0.00 54.79 54.63 1xm4 n ASP 275 Cb 0.05 -0.29 -0.02 0.00 1.84 0.00 0.00 41.12 42.70 1xm4 n ASP 275 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1xm4 s VAL 276 N -0.67 2.71 -1.45 2.53 0.11 -0.74 -2.49 120.40 120.40 1xm4 s VAL 276 Ca 0.18 0.68 -0.03 0.00 -2.93 0.00 0.00 61.98 59.88 1xm4 s VAL 276 Cb 0.18 -3.43 0.00 0.00 -1.53 0.00 0.00 36.38 31.60 1xm4 s VAL 276 CO -0.05 0.15 0.42 -0.67 -3.33 0.00 0.00 175.10 171.62 1xm4 n ASP 277 N 1.18 -5.63 -4.71 3.54 2.03 -0.34 -4.35 116.55 108.26 1xm4 n ASP 277 Ca 0.02 -0.20 -0.42 0.00 0.52 0.00 0.00 54.79 54.70 1xm4 n ASP 277 Cb 0.41 -4.51 -0.03 0.00 -0.72 0.00 0.00 41.12 36.27 1xm4 n ASP 277 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1xm4 s HIS 278 N -3.08 3.42 -1.90 -0.67 2.46 -1.04 -4.94 115.29 109.55 1xm4 s HIS 278 Ca 0.21 1.31 0.29 0.00 0.47 0.00 0.00 55.06 57.34 1xm4 s HIS 278 Cb -0.09 -3.41 1.36 0.00 -0.13 0.00 0.00 32.58 30.31 1xm4 s HIS 278 CO 0.26 -1.23 1.93 -0.35 -2.47 0.00 0.00 174.74 172.87 1xm4 n PRO 279 N 4.04 0.96 -0.57 2.88 -0.04 -1.26 -4.62 135.00 136.38 1xm4 n PRO 279 Ca 0.09 -0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 1xm4 n PRO 279 Cb 0.47 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1xm4 n PRO 279 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xm4 n GLY 280 N 1.19 0.70 3.17 0.55 0.00 -1.26 -5.00 105.19 104.54 1xm4 n GLY 280 Ca 0.18 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 1xm4 n GLY 280 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xm4 s VAL 281 N -2.00 1.03 0.84 1.61 -7.23 -1.26 -4.63 120.40 108.75 1xm4 s VAL 281 Ca 0.00 -1.42 -0.12 0.00 -1.81 0.00 0.00 61.98 58.63 1xm4 s VAL 281 Cb 0.00 -1.15 0.09 0.00 0.56 0.00 0.00 36.38 35.88 1xm4 s VAL 281 CO 0.00 -0.36 1.15 -0.94 -0.31 0.00 0.00 175.10 174.64 1xm4 s SER 282 N -2.00 4.23 0.21 4.85 1.04 -1.26 -4.89 113.70 115.88 1xm4 s SER 282 Ca 0.00 0.92 -0.10 0.00 0.48 0.00 0.00 55.95 57.26 1xm4 s SER 282 Cb -0.07 -1.49 0.16 0.00 0.10 0.00 0.00 66.02 64.71 1xm4 s SER 282 CO 0.02 -2.09 1.84 0.78 0.98 0.00 0.00 173.24 174.77 1xm4 h ASN 283 N -1.18 0.94 -0.30 7.02 2.35 -2.01 -2.04 115.58 120.35 1xm4 h ASN 283 Ca -0.48 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.15 1xm4 h ASN 283 Cb 1.32 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.43 1xm4 h ASN 283 CO 0.64 0.74 0.03 -0.61 -1.65 0.00 0.00 177.43 176.58 1xm4 h GLN 284 N 1.06 0.61 -0.42 0.81 5.75 -1.97 -1.03 115.11 119.92 1xm4 h GLN 284 Ca 0.27 -0.13 -0.08 0.00 -0.15 0.00 0.00 58.65 58.56 1xm4 h GLN 284 Cb -0.01 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 1xm4 h GLN 284 CO -0.05 0.61 -0.05 0.35 -2.65 0.00 0.00 178.83 177.05 1xm4 h PHE 285 N 0.59 0.86 -0.67 3.99 3.04 -1.87 -1.06 116.94 121.82 1xm4 h PHE 285 Ca 0.13 -0.17 -0.02 0.00 3.98 0.00 0.00 57.97 61.89 1xm4 h PHE 285 Cb 0.33 -0.22 -0.03 0.00 2.56 0.00 0.00 35.95 38.59 1xm4 h PHE 285 CO 0.01 0.87 0.33 -0.07 -2.02 0.00 0.00 178.31 177.43 1xm4 h LEU 286 N 0.60 0.88 -0.09 0.59 3.38 -0.81 -2.12 115.31 117.74 1xm4 h LEU 286 Ca 0.11 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1xm4 h LEU 286 Cb 0.56 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1xm4 h LEU 286 CO 0.03 0.76 0.00 0.40 0.09 0.00 0.00 178.44 179.72 1xm4 h ILE 287 N 0.93 1.24 0.00 1.22 2.04 -1.16 -1.84 117.51 119.95 1xm4 h ILE 287 Ca 0.23 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 1xm4 h ILE 287 Cb 0.11 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1xm4 h ILE 287 CO -0.03 0.22 -0.15 0.78 0.00 0.00 0.00 178.15 178.97 1xm4 h ASN 288 N -0.12 0.00 -0.09 1.72 2.35 -1.15 -2.52 115.58 115.78 1xm4 h ASN 288 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1xm4 h ASN 288 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1xm4 h ASN 288 CO 0.00 0.15 0.00 0.35 -1.65 0.00 0.00 177.43 176.29 1xm4 n THR 289 N -3.80 0.10 -2.92 2.81 -2.24 -0.80 -4.95 114.28 102.47 1xm4 n THR 289 Ca -0.02 -0.38 -0.22 0.00 -2.27 0.00 0.00 64.05 61.16 1xm4 n THR 289 Cb 0.25 0.73 0.02 0.00 -2.10 0.00 0.00 70.33 69.24 1xm4 n THR 289 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xm4 n ASN 290 N 0.59 -5.92 -4.59 3.42 3.02 -0.95 -4.95 115.26 105.88 1xm4 n ASN 290 Ca 0.17 -0.24 -0.34 0.00 -0.03 0.00 0.00 54.58 54.15 1xm4 n ASN 290 Cb 0.43 -4.82 0.12 0.00 -0.61 0.00 0.00 39.78 34.90 1xm4 n ASN 290 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xm4 n SER 291 N -2.41 -0.13 -0.30 6.41 3.41 -0.72 -4.79 113.62 115.09 1xm4 n SER 291 Ca -0.13 0.51 -0.01 0.00 -0.26 0.00 0.00 58.87 58.98 1xm4 n SER 291 Cb 0.63 -1.39 0.12 0.00 -0.26 0.00 0.00 64.21 63.31 1xm4 n SER 291 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1xm4 h GLU 292 N -1.06 0.97 -0.86 4.33 4.39 -1.92 -2.14 114.58 118.28 1xm4 h GLU 292 Ca -0.45 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.18 1xm4 h GLU 292 Cb 1.30 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 29.69 1xm4 h GLU 292 CO 0.42 0.64 0.51 -0.07 -1.16 0.00 0.00 179.01 179.36 1xm4 h LEU 293 N 1.00 1.04 -0.35 1.33 3.38 -1.93 0.04 115.31 119.81 1xm4 h LEU 293 Ca 0.35 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 58.09 1xm4 h LEU 293 Cb 0.08 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1xm4 h LEU 293 CO -0.14 0.80 -0.43 0.00 0.09 0.00 0.00 178.44 178.76 1xm4 h ALA 294 N 1.38 0.52 -0.61 1.53 0.00 -1.68 -1.55 119.26 118.85 1xm4 h ALA 294 Ca 0.31 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1xm4 h ALA 294 Cb -0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1xm4 h ALA 294 CO -0.06 0.66 0.24 -0.07 0.00 0.00 0.00 179.25 180.02 1xm4 h LEU 295 N 0.71 0.85 -0.32 0.00 3.38 -1.14 -0.24 115.31 118.56 1xm4 h LEU 295 Ca 0.05 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1xm4 h LEU 295 Cb 1.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1xm4 h LEU 295 CO 0.10 0.80 0.11 -0.03 0.09 0.00 0.00 178.44 179.51 1xm4 h MET 296 N 0.86 0.50 -0.71 1.13 4.05 -0.86 -3.20 114.93 116.70 1xm4 h MET 296 Ca 0.20 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.52 1xm4 h MET 296 Cb 0.22 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 1xm4 h MET 296 CO -0.01 0.53 0.00 0.66 0.23 0.00 0.00 176.91 178.31 1xm4 n TYR 297 N -4.68 1.21 -3.87 1.39 4.01 -0.59 -4.99 117.16 109.63 1xm4 n TYR 297 Ca -0.02 -0.55 -0.28 0.00 -0.16 0.00 0.00 57.90 56.89 1xm4 n TYR 297 Cb 0.16 -0.11 0.03 0.00 -0.31 0.00 0.00 39.34 39.11 1xm4 n TYR 297 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1xm4 n ASN 298 N 1.44 -3.89 0.00 7.72 3.02 -0.14 -2.46 115.26 120.96 1xm4 n ASN 298 Ca 0.25 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 54.01 1xm4 n ASN 298 Cb 0.74 -3.89 0.00 0.00 -0.61 0.00 0.00 39.78 36.03 1xm4 n ASN 298 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1xm4 n ASP 299 N -2.89 -1.18 -4.57 6.41 8.00 -0.95 -4.96 116.55 116.42 1xm4 n ASP 299 Ca -0.04 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.07 1xm4 n ASP 299 Cb 0.56 -2.15 -0.11 0.00 -0.02 0.00 0.00 41.12 39.41 1xm4 n ASP 299 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1xm4 s GLU 300 N -0.95 3.82 -1.34 -1.24 2.56 -1.03 -4.48 118.70 116.05 1xm4 s GLU 300 Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 54.97 54.46 1xm4 s GLU 300 Cb 0.00 -3.69 0.01 0.00 2.00 0.00 0.00 34.13 32.45 1xm4 s GLU 300 CO 0.00 -0.25 0.20 0.43 -0.56 0.00 0.00 175.26 175.08 1xm4 n SER 301 N 5.07 -0.58 0.05 -1.70 7.64 -1.26 -4.79 113.62 118.04 1xm4 n SER 301 Ca -0.14 -1.20 -0.13 0.00 1.01 0.00 0.00 58.87 58.41 1xm4 n SER 301 Cb 0.51 -1.47 -0.07 0.00 -1.01 0.00 0.00 64.21 62.18 1xm4 n SER 301 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1xm4 h VAL 302 N -1.80 0.15 -0.34 0.44 2.07 -1.88 -1.55 116.25 113.34 1xm4 h VAL 302 Ca -0.63 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 1xm4 h VAL 302 Cb 1.30 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1xm4 h VAL 302 CO 0.60 0.00 -0.02 -0.07 0.02 0.00 0.00 177.57 178.10 1xm4 h LEU 303 N -0.56 0.60 -0.89 2.57 3.38 -1.94 -2.71 115.31 115.76 1xm4 h LEU 303 Ca 0.05 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1xm4 h LEU 303 Cb 0.65 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1xm4 h LEU 303 CO -0.33 0.78 0.55 -0.33 0.09 0.00 0.00 178.44 179.20 1xm4 h GLU 304 N 0.41 1.20 -0.69 1.13 3.07 -1.89 0.22 114.58 118.02 1xm4 h GLU 304 Ca 0.09 -0.10 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1xm4 h GLU 304 Cb 0.48 -0.26 -0.03 0.00 -0.84 0.00 0.00 28.75 28.10 1xm4 h GLU 304 CO 0.02 0.83 0.29 -0.91 -1.40 0.00 0.00 179.01 177.83 1xm4 h ASN 305 N 1.22 0.95 -0.62 1.42 2.35 -1.22 -2.92 115.58 116.76 1xm4 h ASN 305 Ca 0.32 -0.17 -0.08 0.00 -0.55 0.00 0.00 56.30 55.83 1xm4 h ASN 305 Cb -0.08 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.02 1xm4 h ASN 305 CO -0.06 0.86 0.09 -0.74 -1.65 0.00 0.00 177.43 175.93 1xm4 h HIS 306 N 0.99 1.10 -0.88 1.19 2.76 -1.01 -1.83 115.15 117.47 1xm4 h HIS 306 Ca 0.23 -0.16 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 1xm4 h HIS 306 Cb 0.20 -0.30 -0.04 0.00 1.55 0.00 0.00 27.41 28.82 1xm4 h HIS 306 CO 0.01 0.94 0.49 0.45 -1.30 0.00 0.00 177.93 178.52 1xm4 h HIS 307 N 0.94 1.21 -0.49 5.26 3.86 -0.85 -1.33 115.15 123.75 1xm4 h HIS 307 Ca 0.19 -0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.25 1xm4 h HIS 307 Cb 0.44 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1xm4 h HIS 307 CO 0.03 0.83 -0.17 -0.07 0.86 0.00 0.00 177.93 179.41 1xm4 h LEU 308 N 1.23 0.96 0.07 2.43 3.38 -1.41 -1.73 115.31 120.25 1xm4 h LEU 308 Ca 0.31 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1xm4 h LEU 308 Cb 0.02 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1xm4 h LEU 308 CO -0.05 1.11 -0.04 0.00 0.09 0.00 0.00 178.44 179.55 1xm4 h ALA 309 N 0.96 -0.10 -0.08 1.53 0.00 -0.43 -1.82 119.26 119.33 1xm4 h ALA 309 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xm4 h ALA 309 Cb 0.72 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1xm4 h ALA 309 CO 0.06 -0.52 0.04 0.28 0.00 0.00 0.00 179.25 179.11 1xm4 h VAL 310 N -0.18 1.00 -0.58 0.00 2.07 -1.28 0.76 116.25 118.05 1xm4 h VAL 310 Ca -0.01 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.58 1xm4 h VAL 310 Cb 0.15 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 30.75 1xm4 h VAL 310 CO 0.02 0.02 0.16 1.23 0.02 0.00 0.00 177.57 179.01 1xm4 h GLY 311 N 0.09 0.76 1.95 2.17 0.00 -1.20 -1.92 103.07 104.92 1xm4 h GLY 311 Ca 0.03 -0.06 -0.22 0.00 0.00 0.00 0.00 47.33 47.08 1xm4 h GLY 311 CO -0.02 -0.07 -1.02 0.74 0.00 0.00 0.00 176.54 176.17 1xm4 h PHE 312 N 0.31 0.07 -0.32 5.60 0.04 -1.27 -3.25 116.94 118.11 1xm4 h PHE 312 Ca 0.30 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.99 1xm4 h PHE 312 Cb 0.40 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.53 1xm4 h PHE 312 CO -0.21 1.03 0.07 0.87 -0.60 0.00 0.00 178.31 179.47 1xm4 h LYS 313 N 0.01 0.46 0.00 1.51 1.57 -0.10 -2.28 116.57 117.75 1xm4 h LYS 313 Ca -0.03 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1xm4 h LYS 313 Cb 1.78 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.01 1xm4 h LYS 313 CO 0.14 0.44 0.00 -0.07 -0.57 0.00 0.00 179.45 179.38 1xm4 h LEU 314 N 0.46 0.00 -0.03 2.94 3.38 -1.43 -1.83 115.31 118.80 1xm4 h LEU 314 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1xm4 h LEU 314 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1xm4 h LEU 314 CO -0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 1xm4 n LEU 315 N -3.04 0.24 -2.94 1.67 4.77 -0.86 -4.54 117.00 112.30 1xm4 n LEU 315 Ca -0.00 0.53 -0.31 0.00 -0.03 0.00 0.00 56.01 56.19 1xm4 n LEU 315 Cb 0.24 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 40.81 1xm4 n LEU 315 CO 0.25 -0.10 2.58 0.00 -1.33 0.00 0.00 177.39 178.79 1xm4 n GLN 316 N -1.73 3.34 -3.22 3.23 1.13 -0.69 -4.01 117.38 115.43 1xm4 n GLN 316 Ca 0.06 -2.19 0.04 0.00 -1.94 0.00 0.00 57.00 52.98 1xm4 n GLN 316 Cb 0.34 -2.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.16 1xm4 n GLN 316 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1xm4 s GLU 317 N 0.78 0.18 0.35 -1.09 2.56 -1.26 -5.07 118.70 115.16 1xm4 s GLU 317 Ca 0.65 0.38 0.17 0.00 0.00 0.00 0.00 54.97 56.17 1xm4 s GLU 317 Cb 0.24 0.22 1.20 0.00 2.00 0.00 0.00 34.13 37.79 1xm4 s GLU 317 CO -0.07 -0.14 1.59 1.49 -0.56 0.00 0.00 175.26 177.57 1xm4 h GLU 318 N 7.71 0.05 -1.20 4.30 4.81 -1.97 -2.23 114.58 126.05 1xm4 h GLU 318 Ca -0.14 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1xm4 h GLU 318 Cb 1.15 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1xm4 h GLU 318 CO -0.03 0.03 0.00 0.72 -0.73 0.00 0.00 179.01 179.01 1xm4 n HIS 319 N -5.27 0.00 -3.06 0.92 8.25 -1.26 -4.86 115.22 109.94 1xm4 n HIS 319 Ca 0.34 -0.11 -0.00 0.00 -0.26 0.00 0.00 57.72 57.70 1xm4 n HIS 319 Cb 1.15 -0.11 -0.00 0.00 1.12 0.00 0.00 29.99 32.15 1xm4 n HIS 319 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1xm4 n ASP 321 N 0.66 -6.71 0.01 0.41 -0.08 -0.84 -4.56 116.55 105.44 1xm4 n ASP 321 Ca 0.00 0.72 0.09 0.00 -1.51 0.00 0.00 54.79 54.08 1xm4 n ASP 321 Cb 0.13 -2.39 0.38 0.00 2.34 0.00 0.00 41.12 41.59 1xm4 n ASP 321 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1xm4 n ILE 322 N 1.42 0.80 -0.54 5.18 -5.35 -1.26 -2.91 119.36 116.70 1xm4 n ILE 322 Ca -0.02 0.19 0.07 0.00 -0.27 0.00 0.00 62.75 62.73 1xm4 n ILE 322 Cb 0.34 -0.91 0.22 0.00 -1.74 0.00 0.00 39.64 37.55 1xm4 n ILE 322 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1xm4 n PHE 323 N -1.56 0.79 0.31 4.28 3.72 -1.26 -4.66 117.46 119.07 1xm4 n PHE 323 Ca 0.04 -0.65 0.20 0.00 -0.05 0.00 0.00 57.45 56.99 1xm4 n PHE 323 Cb 0.21 -0.16 1.00 0.00 -0.94 0.00 0.00 39.48 39.58 1xm4 n PHE 323 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xm4 h MET 324 N 2.26 0.00 -0.27 -1.08 -0.00 -1.89 -2.62 114.93 111.33 1xm4 h MET 324 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1xm4 h MET 324 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.70 1xm4 h MET 324 CO 0.11 0.01 0.00 0.09 -0.00 0.00 0.00 176.91 177.12 1xm4 n ASN 325 N -3.14 2.90 -4.80 -0.10 3.02 -1.26 -4.93 115.26 106.95 1xm4 n ASN 325 Ca -0.02 -1.85 -0.31 0.00 -0.03 0.00 0.00 54.58 52.37 1xm4 n ASN 325 Cb 0.17 -0.17 0.07 0.00 -0.61 0.00 0.00 39.78 39.23 1xm4 n ASN 325 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xm4 s LEU 326 N -1.22 3.10 0.90 3.41 1.43 -0.99 -4.88 118.68 120.42 1xm4 s LEU 326 Ca 0.27 1.70 -0.11 0.00 -1.03 0.00 0.00 54.13 54.96 1xm4 s LEU 326 Cb 0.16 -4.51 0.13 0.00 0.03 0.00 0.00 46.19 42.01 1xm4 s LEU 326 CO 0.23 -1.67 1.09 -0.89 0.23 0.00 0.00 176.35 175.34 1xm4 s THR 327 N -2.98 2.67 0.23 5.49 2.01 -1.26 -4.86 115.64 116.94 1xm4 s THR 327 Ca 0.59 0.22 -0.07 0.00 0.31 0.00 0.00 61.69 62.74 1xm4 s THR 327 Cb -0.15 -2.65 0.18 0.00 0.01 0.00 0.00 72.50 69.89 1xm4 s THR 327 CO 0.55 -0.28 1.84 0.50 -0.69 0.00 0.00 174.62 176.54 1xm4 h LYS 328 N -1.57 0.85 -0.03 4.92 3.64 -1.96 -1.68 116.57 120.74 1xm4 h LYS 328 Ca -0.49 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 58.84 1xm4 h LYS 328 Cb 1.28 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1xm4 h LYS 328 CO 0.53 0.56 -0.01 -0.22 -2.27 0.00 0.00 179.45 178.05 1xm4 h LYS 329 N 0.87 0.00 -0.91 1.90 1.63 -2.00 -2.20 116.57 115.85 1xm4 h LYS 329 Ca 0.33 -0.00 0.08 0.00 -0.85 0.00 0.00 60.65 60.21 1xm4 h LYS 329 Cb 0.14 -0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.71 1xm4 h LYS 329 CO -0.16 0.00 0.59 1.96 -3.45 0.00 0.00 179.45 178.39 1xm4 h GLN 330 N 0.00 0.96 0.04 1.90 4.20 -1.81 -1.93 115.11 118.47 1xm4 h GLN 330 Ca 0.01 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1xm4 h GLN 330 Cb 0.02 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.58 1xm4 h GLN 330 CO -0.03 0.63 -0.02 0.00 -0.67 0.00 0.00 178.83 178.75 1xm4 h ARG 331 N 0.99 -0.05 -0.35 1.46 3.08 -1.07 0.32 114.38 118.76 1xm4 h ARG 331 Ca 0.41 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.53 1xm4 h ARG 331 Cb 0.28 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.28 1xm4 h ARG 331 CO -0.16 0.10 -0.04 0.37 -1.07 0.00 0.00 179.97 179.17 1xm4 h GLN 332 N -0.20 0.05 -0.36 0.04 4.15 -1.14 0.16 115.11 117.80 1xm4 h GLN 332 Ca -0.01 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.38 1xm4 h GLN 332 Cb 0.18 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 1xm4 h GLN 332 CO 0.01 0.03 0.10 1.15 -1.93 0.00 0.00 178.83 178.19 1xm4 h THR 333 N 0.05 1.22 -0.56 2.39 2.02 -1.25 -1.78 112.91 114.99 1xm4 h THR 333 Ca 0.17 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 1xm4 h THR 333 Cb 0.25 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 1xm4 h THR 333 CO -0.32 0.25 0.31 0.25 0.37 0.00 0.00 175.52 176.38 1xm4 h LEU 334 N 0.43 0.70 0.01 2.58 6.46 -0.48 -1.43 115.31 123.58 1xm4 h LEU 334 Ca 0.11 -0.09 0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1xm4 h LEU 334 Cb 0.29 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 1xm4 h LEU 334 CO -0.00 0.59 -0.09 -0.09 -0.62 0.00 0.00 178.44 178.22 1xm4 h ARG 335 N 0.75 -0.16 -0.45 1.25 2.43 -0.60 0.46 114.38 118.06 1xm4 h ARG 335 Ca 0.20 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.43 1xm4 h ARG 335 Cb 0.05 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.58 1xm4 h ARG 335 CO -0.03 -0.11 0.17 -0.22 -1.51 0.00 0.00 179.97 178.27 1xm4 h LYS 336 N -0.16 0.34 -0.37 0.20 3.64 -1.02 -0.71 116.57 118.49 1xm4 h LYS 336 Ca 0.03 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1xm4 h LYS 336 Cb 0.20 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1xm4 h LYS 336 CO -0.09 0.23 0.25 0.52 -2.27 0.00 0.00 179.45 178.09 1xm4 h MET 337 N 0.35 0.49 -0.31 1.90 2.86 -0.66 -1.92 114.93 117.64 1xm4 h MET 337 Ca 0.21 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.76 1xm4 h MET 337 Cb 0.19 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1xm4 h MET 337 CO -0.20 0.32 -0.06 0.28 1.06 0.00 0.00 176.91 178.31 1xm4 h VAL 338 N 0.51 1.28 -0.30 -2.22 2.07 -0.57 -1.10 116.25 115.90 1xm4 h VAL 338 Ca 0.14 -1.09 0.05 0.00 0.82 0.00 0.00 66.70 66.62 1xm4 h VAL 338 Cb -0.06 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 1xm4 h VAL 338 CO -0.03 0.35 -0.01 0.40 0.02 0.00 0.00 177.57 178.30 1xm4 h ILE 339 N 0.37 0.77 0.05 4.57 2.04 -1.03 -0.10 117.51 124.18 1xm4 h ILE 339 Ca 0.08 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 65.93 1xm4 h ILE 339 Cb 0.55 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1xm4 h ILE 339 CO 0.03 0.01 -0.18 -0.78 0.00 0.00 0.00 178.15 177.23 1xm4 h ASP 340 N 0.08 -0.52 -0.39 1.72 1.82 -1.13 -1.05 116.42 116.94 1xm4 h ASP 340 Ca 0.15 0.07 -0.02 0.00 -0.39 0.00 0.00 57.03 56.83 1xm4 h ASP 340 Cb 0.20 0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.40 1xm4 h ASP 340 CO -0.25 -0.26 0.16 0.24 -1.61 0.00 0.00 179.24 177.52 1xm4 h MET 341 N -0.33 0.58 -0.59 0.28 2.86 -0.82 -1.88 114.93 115.03 1xm4 h MET 341 Ca 0.04 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 1xm4 h MET 341 Cb 0.37 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1xm4 h MET 341 CO -0.14 0.55 0.06 0.28 1.06 0.00 0.00 176.91 178.73 1xm4 h VAL 342 N 0.48 1.26 -0.10 -2.22 2.07 -0.89 -2.38 116.25 114.48 1xm4 h VAL 342 Ca 0.13 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 1xm4 h VAL 342 Cb 0.19 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1xm4 h VAL 342 CO -0.01 0.38 -0.06 -0.07 0.02 0.00 0.00 177.57 177.83 1xm4 h LEU 343 N 0.90 0.13 -0.12 2.57 3.38 -1.03 0.86 115.31 121.99 1xm4 h LEU 343 Ca 0.18 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1xm4 h LEU 343 Cb 0.47 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1xm4 h LEU 343 CO 0.02 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.76 1xm4 n ALA 344 N -2.51 1.53 1.90 1.53 0.00 -0.72 -2.59 120.51 119.66 1xm4 n ALA 344 Ca -0.01 -0.02 0.15 0.00 0.00 0.00 0.00 53.44 53.56 1xm4 n ALA 344 Cb 0.19 -1.22 0.83 0.00 0.00 0.00 0.00 19.45 19.25 1xm4 n ALA 344 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xm4 n THR 345 N -1.61 0.00 -2.42 0.00 -2.24 0.30 -4.79 114.28 103.52 1xm4 n THR 345 Ca 0.03 -0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.33 1xm4 n THR 345 Cb 0.14 -0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 68.05 1xm4 n THR 345 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xm4 s ASP 346 N -1.95 6.96 0.65 3.42 2.15 -1.07 -4.92 116.67 121.91 1xm4 s ASP 346 Ca 0.44 1.74 0.43 0.00 0.43 0.00 0.00 52.55 55.59 1xm4 s ASP 346 Cb 0.21 -2.54 2.27 0.00 -0.30 0.00 0.00 42.92 42.55 1xm4 s ASP 346 CO 0.35 -0.72 2.32 0.24 -0.17 0.00 0.00 175.17 177.18 1xm4 h MET 347 N 8.05 0.00 0.00 4.34 2.86 -1.92 -0.64 114.93 127.62 1xm4 h MET 347 Ca -0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1xm4 h MET 347 Cb 1.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.78 1xm4 h MET 347 CO 0.95 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 177.79 1xm4 n SER 348 N -3.12 0.00 0.05 1.22 3.41 -1.26 -2.14 113.62 111.78 1xm4 n SER 348 Ca -0.03 0.40 0.11 0.00 -0.26 0.00 0.00 58.87 59.09 1xm4 n SER 348 Cb 0.10 -0.45 -0.03 0.00 -0.26 0.00 0.00 64.21 63.57 1xm4 n SER 348 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xm4 n LYS 349 N -1.45 0.52 -0.28 4.33 4.76 -0.25 -4.70 118.16 121.09 1xm4 n LYS 349 Ca 0.05 0.01 -0.00 0.00 -2.87 0.00 0.00 58.31 55.49 1xm4 n LYS 349 Cb 0.18 -1.68 0.06 0.00 -1.84 0.00 0.00 35.03 31.75 1xm4 n LYS 349 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1xm4 h HIS 350 N 0.00 -0.72 0.00 2.13 2.76 -1.49 -0.14 115.15 117.69 1xm4 h HIS 350 Ca 0.00 0.08 -0.07 0.00 -2.20 0.00 0.00 60.37 58.19 1xm4 h HIS 350 Cb 0.92 0.44 -0.01 0.00 1.55 0.00 0.00 27.41 30.31 1xm4 h HIS 350 CO 0.00 -0.37 -0.31 0.52 -1.30 0.00 0.00 177.93 176.47 1xm4 h MET 351 N -0.05 0.00 0.00 5.26 2.86 -1.84 -0.85 114.93 120.31 1xm4 h MET 351 Ca 0.34 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.77 1xm4 h MET 351 Cb 0.59 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 1xm4 h MET 351 CO -0.83 0.31 -1.01 0.66 1.06 0.00 0.00 176.91 177.10 1xm4 h SER 352 N 0.00 0.00 -0.38 1.22 4.64 -1.40 -2.62 113.55 115.01 1xm4 h SER 352 Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.21 1xm4 h SER 352 Cb 0.61 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 1xm4 h SER 352 CO 0.04 0.93 -0.17 -0.07 -0.87 0.00 0.00 176.83 176.69 1xm4 h LEU 353 N 0.00 0.81 0.41 5.97 4.07 -0.79 -2.62 115.31 123.15 1xm4 h LEU 353 Ca -0.04 -0.40 -0.02 0.00 0.08 0.00 0.00 57.88 57.51 1xm4 h LEU 353 Cb 1.74 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 43.26 1xm4 h LEU 353 CO 0.12 1.03 -0.20 0.25 -1.08 0.00 0.00 178.44 178.56 1xm4 h LEU 354 N 0.59 -0.46 -1.24 1.67 5.85 -1.21 0.23 115.31 120.74 1xm4 h LEU 354 Ca 0.09 -0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.84 1xm4 h LEU 354 Cb 0.71 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.80 1xm4 h LEU 354 CO 0.05 -0.23 0.55 0.00 -0.34 0.00 0.00 178.44 178.48 1xm4 h ALA 355 N -0.14 1.64 0.01 1.25 0.00 -1.53 -0.85 119.26 119.65 1xm4 h ALA 355 Ca -0.06 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.62 1xm4 h ALA 355 Cb 0.49 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1xm4 h ALA 355 CO 0.09 0.20 -1.06 -0.44 0.00 0.00 0.00 179.25 178.04 1xm4 h ASP 356 N 0.87 0.04 -0.16 0.00 3.45 -1.23 -2.49 116.42 116.91 1xm4 h ASP 356 Ca 0.39 -0.05 -0.08 0.00 0.43 0.00 0.00 57.03 57.71 1xm4 h ASP 356 Cb 0.35 -0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 39.09 1xm4 h ASP 356 CO -0.15 1.04 -0.16 0.25 -1.57 0.00 0.00 179.24 178.65 1xm4 h LEU 357 N 0.01 0.55 -0.29 1.55 5.85 0.08 -2.37 115.31 120.68 1xm4 h LEU 357 Ca -0.04 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 1xm4 h LEU 357 Cb 1.80 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.68 1xm4 h LEU 357 CO 0.14 0.72 0.01 0.11 -0.34 0.00 0.00 178.44 179.08 1xm4 h LYS 358 N 0.51 0.50 -0.89 1.25 1.57 -0.98 -1.53 116.57 117.00 1xm4 h LYS 358 Ca 0.09 -0.15 0.11 0.00 -1.87 0.00 0.00 60.65 58.82 1xm4 h LYS 358 Cb 0.56 -0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.74 1xm4 h LYS 358 CO 0.04 0.64 0.52 1.15 -0.57 0.00 0.00 179.45 181.23 1xm4 h THR 359 N 0.30 0.90 -0.44 -0.16 2.02 -1.35 -1.79 112.91 112.38 1xm4 h THR 359 Ca 0.08 -0.29 -0.09 0.00 0.77 0.00 0.00 66.41 66.89 1xm4 h THR 359 Cb 0.41 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1xm4 h THR 359 CO 0.01 0.16 -0.06 -0.03 0.37 0.00 0.00 175.52 175.97 1xm4 h MET 360 N 0.85 0.82 -0.98 6.66 1.85 -1.12 -2.82 114.93 120.18 1xm4 h MET 360 Ca 0.44 -0.29 0.02 0.00 -0.61 0.00 0.00 59.70 59.25 1xm4 h MET 360 Cb 0.43 -0.06 -0.05 0.00 0.43 0.00 0.00 31.60 32.35 1xm4 h MET 360 CO -0.26 0.91 0.65 0.28 -0.40 0.00 0.00 176.91 178.09 1xm4 h VAL 361 N 0.66 1.23 0.00 -5.77 2.07 -0.82 -2.30 116.25 111.31 1xm4 h VAL 361 Ca 0.12 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1xm4 h VAL 361 Cb 0.58 -0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1xm4 h VAL 361 CO 0.03 0.24 -0.13 -0.33 0.02 0.00 0.00 177.57 177.40 1xm4 h GLU 362 N 1.31 0.00 -0.17 1.57 5.08 -1.09 -2.45 114.58 118.83 1xm4 h GLU 362 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1xm4 h GLU 362 Cb -0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1xm4 h GLU 362 CO -0.09 0.13 0.00 0.25 -1.00 0.00 0.00 179.01 178.30 1xm4 n THR 363 N -3.59 1.91 -1.66 1.13 -2.24 -1.07 -5.02 114.28 103.75 1xm4 n THR 363 Ca -0.02 -1.83 -0.47 0.00 -2.27 0.00 0.00 64.05 59.46 1xm4 n THR 363 Cb 0.26 -0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.34 1xm4 n THR 363 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1xm4 n LYS 364 N -0.69 2.25 -4.06 -0.78 4.81 -0.89 -4.97 118.16 113.83 1xm4 n LYS 364 Ca 0.17 0.81 -0.33 0.00 -0.87 0.00 0.00 58.31 58.08 1xm4 n LYS 364 Cb 0.71 -2.74 -0.15 0.00 0.02 0.00 0.00 35.03 32.87 1xm4 n LYS 364 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1xm4 s LYS 365 N 4.39 3.01 -0.14 1.64 1.02 -1.26 -5.08 119.74 123.32 1xm4 s LYS 365 Ca 0.93 -0.83 -0.01 0.00 0.02 0.00 0.00 55.97 56.08 1xm4 s LYS 365 Cb -0.63 -2.71 -0.02 0.00 -0.52 0.00 0.00 37.83 33.94 1xm4 s LYS 365 CO 0.49 -0.24 -0.10 0.14 -0.92 0.00 0.00 175.35 174.72 1xm4 s VAL 366 N 1.32 3.36 1.08 3.17 -7.23 -1.26 -1.05 120.40 119.80 1xm4 s VAL 366 Ca 0.04 -0.55 -0.16 0.00 -1.81 0.00 0.00 61.98 59.50 1xm4 s VAL 366 Cb -0.14 -2.44 0.12 0.00 0.56 0.00 0.00 36.38 34.48 1xm4 s VAL 366 CO -0.10 0.51 0.29 0.35 -0.31 0.00 0.00 175.10 175.85 1xm4 n THR 367 N 3.50 0.00 0.10 5.32 -2.24 0.11 -4.81 114.28 116.25 1xm4 n THR 367 Ca -0.18 -0.28 0.17 0.00 -2.27 0.00 0.00 64.05 61.49 1xm4 n THR 367 Cb 0.53 -0.68 0.72 0.00 -2.10 0.00 0.00 70.33 68.79 1xm4 n THR 367 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1xm4 h SER 368 N -2.03 0.00 -0.01 3.42 4.64 -2.00 -2.12 113.55 115.46 1xm4 h SER 368 Ca -0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1xm4 h SER 368 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1xm4 h SER 368 CO 0.39 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.81 1xm4 n SER 369 N -4.23 0.26 -0.07 4.97 3.41 -1.26 -4.92 113.62 111.78 1xm4 n SER 369 Ca 0.06 -1.22 0.00 0.00 -0.26 0.00 0.00 58.87 57.44 1xm4 n SER 369 Cb 0.46 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1xm4 n SER 369 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xm4 n GLY 370 N 0.96 0.87 3.30 5.00 0.00 -0.79 -5.09 105.19 109.43 1xm4 n GLY 370 Ca 0.20 -0.60 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 1xm4 n GLY 370 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xm4 s VAL 371 N -2.14 1.85 0.24 1.61 1.01 -1.26 -4.40 120.40 117.31 1xm4 s VAL 371 Ca 0.00 -1.42 -0.30 0.00 0.00 0.00 0.00 61.98 60.27 1xm4 s VAL 371 Cb 0.00 -1.63 -0.09 0.00 0.00 0.00 0.00 36.38 34.66 1xm4 s VAL 371 CO 0.00 0.14 1.19 -0.76 0.00 0.00 0.00 175.10 175.66 1xm4 s LEU 372 N -1.53 4.48 -0.49 3.92 1.43 -0.27 -0.71 118.68 125.50 1xm4 s LEU 372 Ca 0.09 2.32 -0.17 0.00 -1.03 0.00 0.00 54.13 55.34 1xm4 s LEU 372 Cb -0.10 -3.62 0.07 0.00 0.03 0.00 0.00 46.19 42.57 1xm4 s LEU 372 CO 0.03 -0.33 0.48 -0.22 0.23 0.00 0.00 176.35 176.55 1xm4 s LEU 373 N -0.84 5.37 -0.37 1.79 2.96 -0.21 -4.84 118.68 122.54 1xm4 s LEU 373 Ca 0.50 -1.17 -0.09 0.00 -0.22 0.00 0.00 54.13 53.15 1xm4 s LEU 373 Cb -0.34 -2.28 0.04 0.00 0.50 0.00 0.00 46.19 44.11 1xm4 s LEU 373 CO 0.40 -0.74 0.19 -0.76 -1.32 0.00 0.00 176.35 174.12 1xm4 s LEU 374 N 2.02 4.69 0.00 -0.68 1.43 -1.26 -4.68 118.68 120.21 1xm4 s LEU 374 Ca 0.08 -1.14 -0.01 0.00 -1.03 0.00 0.00 54.13 52.04 1xm4 s LEU 374 Cb -0.22 -1.97 -0.00 0.00 0.03 0.00 0.00 46.19 44.02 1xm4 s LEU 374 CO 0.09 -0.40 1.01 0.44 0.23 0.00 0.00 176.35 177.72 1xm4 h ASP 375 N 8.37 -0.05 0.00 2.29 5.19 -1.97 -3.46 116.42 126.79 1xm4 h ASP 375 Ca -0.24 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.17 1xm4 h ASP 375 Cb 1.09 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.62 1xm4 h ASP 375 CO 0.67 -0.01 0.00 -3.20 -3.12 0.00 0.00 179.24 173.58 1xm4 n ASN 376 N -2.97 0.00 -0.21 6.45 5.15 -1.26 -5.05 115.26 117.37 1xm4 n ASN 376 Ca 0.00 0.00 0.02 0.00 -0.60 0.00 0.00 54.58 54.00 1xm4 n ASN 376 Cb 0.01 0.00 0.12 0.00 -0.53 0.00 0.00 39.78 39.38 1xm4 n ASN 376 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1xm4 h TYR 377 N 0.00 0.12 -0.56 1.20 3.20 -2.00 -2.42 116.97 116.51 1xm4 h TYR 377 Ca 0.00 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.97 1xm4 h TYR 377 Cb 0.00 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.26 1xm4 h TYR 377 CO 0.00 -0.09 0.26 1.15 -1.64 0.00 0.00 178.16 177.84 1xm4 h THR 378 N 0.20 0.91 -0.46 1.81 2.02 -1.99 -1.32 112.91 114.08 1xm4 h THR 378 Ca 0.34 -0.17 -0.11 0.00 0.77 0.00 0.00 66.41 67.24 1xm4 h THR 378 Cb 0.53 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1xm4 h THR 378 CO -0.47 0.09 -0.13 0.44 0.37 0.00 0.00 175.52 175.82 1xm4 h ASP 379 N 0.50 0.92 -0.12 4.18 3.32 -1.83 -2.42 116.42 120.97 1xm4 h ASP 379 Ca 0.26 -0.37 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1xm4 h ASP 379 Cb 0.21 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 1xm4 h ASP 379 CO -0.20 1.08 -0.01 0.03 -1.72 0.00 0.00 179.24 178.42 1xm4 h ARG 380 N 0.75 0.21 0.00 3.56 3.08 -1.05 -2.83 114.38 118.10 1xm4 h ARG 380 Ca 0.11 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 1xm4 h ARG 380 Cb 0.69 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.72 1xm4 h ARG 380 CO 0.05 0.47 -0.13 0.97 -1.07 0.00 0.00 179.97 180.26 1xm4 h ILE 381 N -0.07 0.40 -0.35 2.04 6.09 -1.29 -1.17 117.51 123.15 1xm4 h ILE 381 Ca 0.03 -0.77 -0.12 0.00 -1.37 0.00 0.00 64.86 62.63 1xm4 h ILE 381 Cb 0.38 1.56 -0.01 0.00 0.47 0.00 0.00 36.82 39.22 1xm4 h ILE 381 CO 0.01 0.13 -0.26 -0.61 -3.07 0.00 0.00 178.15 174.35 1xm4 h GLN 382 N 0.00 0.80 -0.49 2.19 4.15 -1.30 0.06 115.11 120.53 1xm4 h GLN 382 Ca -0.00 -0.39 -0.11 0.00 0.77 0.00 0.00 58.65 58.92 1xm4 h GLN 382 Cb 0.54 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 1xm4 h GLN 382 CO 0.02 1.01 -0.12 0.28 -1.93 0.00 0.00 178.83 178.09 1xm4 h VAL 383 N 0.58 1.27 -0.60 2.39 2.07 -1.18 -2.38 116.25 118.40 1xm4 h VAL 383 Ca 0.07 -1.26 -0.09 0.00 0.82 0.00 0.00 66.70 66.24 1xm4 h VAL 383 Cb 0.82 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1xm4 h VAL 383 CO 0.07 0.44 0.04 -0.07 0.02 0.00 0.00 177.57 178.06 1xm4 h LEU 384 N 0.79 1.01 -0.21 2.57 3.38 -1.17 0.38 115.31 122.06 1xm4 h LEU 384 Ca 0.12 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.81 1xm4 h LEU 384 Cb 0.68 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1xm4 h LEU 384 CO 0.05 1.05 0.12 0.03 0.09 0.00 0.00 178.44 179.78 1xm4 h ARG 385 N 0.93 0.25 0.00 1.13 3.08 -0.97 -2.01 114.38 116.79 1xm4 h ARG 385 Ca 0.17 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.17 1xm4 h ARG 385 Cb 0.51 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1xm4 h ARG 385 CO 0.02 0.16 -0.18 -0.91 -1.07 0.00 0.00 179.97 178.00 1xm4 h ASN 386 N 0.26 0.00 -0.18 7.04 2.35 -1.25 -2.79 115.58 121.01 1xm4 h ASN 386 Ca 0.08 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 1xm4 h ASN 386 Cb -0.01 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 1xm4 h ASN 386 CO -0.04 0.18 -0.24 -0.03 -1.65 0.00 0.00 177.43 175.65 1xm4 h MET 387 N 0.00 0.48 -0.08 0.81 4.05 -0.23 -0.93 114.93 119.02 1xm4 h MET 387 Ca -0.00 -0.28 -0.12 0.00 -0.28 0.00 0.00 59.70 59.03 1xm4 h MET 387 Cb 0.69 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.50 1xm4 h MET 387 CO 0.02 0.86 -0.48 0.28 0.23 0.00 0.00 176.91 177.83 1xm4 h VAL 388 N 0.12 1.34 -0.16 -5.77 2.07 -1.40 -1.62 116.25 110.83 1xm4 h VAL 388 Ca 0.02 -1.69 -0.02 0.00 0.82 0.00 0.00 66.70 65.83 1xm4 h VAL 388 Cb 0.81 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1xm4 h VAL 388 CO 0.06 0.50 0.01 -0.74 0.02 0.00 0.00 177.57 177.41 1xm4 h HIS 389 N 0.16 0.30 -0.43 1.57 6.17 -1.42 -0.73 115.15 120.76 1xm4 h HIS 389 Ca 0.01 -0.05 0.03 0.00 0.71 0.00 0.00 60.37 61.06 1xm4 h HIS 389 Cb 0.91 -0.08 -0.03 0.00 2.52 0.00 0.00 27.41 30.73 1xm4 h HIS 389 CO 0.01 0.48 0.24 0.00 0.71 0.00 0.00 177.93 179.37 1xm4 h ALA 391 N 1.21 1.13 -0.70 0.00 0.00 -1.10 0.16 119.26 119.96 1xm4 h ALA 391 Ca 0.18 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1xm4 h ALA 391 Cb 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1xm4 h ALA 391 CO -0.10 0.05 0.25 0.22 0.00 0.00 0.00 179.25 179.67 1xm4 h ASP 392 N 0.74 0.98 -0.95 0.00 -0.00 -0.66 -2.61 116.42 113.92 1xm4 h ASP 392 Ca 0.39 -0.16 -0.52 0.00 -0.00 0.00 0.00 57.03 56.74 1xm4 h ASP 392 Cb 0.38 -0.25 -0.29 0.00 -0.00 0.00 0.00 39.33 39.16 1xm4 h ASP 392 CO -0.26 0.89 0.62 0.18 -0.00 0.00 0.00 179.24 180.68 1xm4 n LEU 393 N -4.28 6.69 0.07 2.28 4.77 -0.17 -4.60 117.00 121.76 1xm4 n LEU 393 Ca 0.06 -3.74 0.12 0.00 -0.03 0.00 0.00 56.01 52.42 1xm4 n LEU 393 Cb 0.20 -0.84 0.14 0.00 -2.33 0.00 0.00 43.42 40.59 1xm4 n LEU 393 CO 0.41 1.14 0.30 0.77 -1.33 0.00 0.00 177.39 178.67 1xm4 h SER 394 N 1.16 0.00 -0.77 -1.43 4.64 -0.33 -3.41 113.55 113.40 1xm4 h SER 394 Ca 0.60 -0.19 0.16 0.00 -0.47 0.00 0.00 61.79 61.89 1xm4 h SER 394 Cb 2.47 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 64.42 1xm4 h SER 394 CO 1.13 0.10 -0.16 0.78 -0.87 0.00 0.00 176.83 177.81 1xm4 h ASN 395 N 0.00 -0.66 0.35 4.97 -0.26 -1.81 0.39 115.58 118.56 1xm4 h ASN 395 Ca 0.00 0.23 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 1xm4 h ASN 395 Cb 0.78 0.46 0.00 0.00 -1.06 0.00 0.00 38.32 38.49 1xm4 h ASN 395 CO 0.00 -0.25 0.00 -2.65 -1.06 0.00 0.00 177.43 173.47 1xm4 n PRO 396 N -5.48 0.16 0.00 0.81 -0.02 -1.26 -2.34 135.00 126.86 1xm4 n PRO 396 Ca 0.11 0.17 0.12 0.00 -2.02 0.00 0.00 63.50 61.88 1xm4 n PRO 396 Cb 0.41 -1.50 0.17 0.00 -0.02 0.00 0.00 33.50 32.56 1xm4 n PRO 396 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1xm4 n THR 397 N -1.34 0.00 -2.09 3.45 -2.24 0.12 -4.05 114.28 108.13 1xm4 n THR 397 Ca 0.06 -0.09 -0.27 0.00 -2.27 0.00 0.00 64.05 61.48 1xm4 n THR 397 Cb 0.14 0.64 0.08 0.00 -2.10 0.00 0.00 70.33 69.09 1xm4 n THR 397 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1xm4 s LYS 398 N -2.73 2.01 0.56 -0.78 -0.14 -0.99 -4.64 119.74 113.04 1xm4 s LYS 398 Ca 0.16 -0.16 -0.20 0.00 -1.36 0.00 0.00 55.97 54.42 1xm4 s LYS 398 Cb 0.18 -2.08 -0.06 0.00 -1.68 0.00 0.00 37.83 34.19 1xm4 s LYS 398 CO 0.65 -1.44 1.02 -1.13 -0.76 0.00 0.00 175.35 173.68 1xm4 n SER 399 N -3.11 1.07 -0.34 2.83 3.41 -1.26 -4.57 113.62 111.65 1xm4 n SER 399 Ca 0.09 0.87 0.16 0.00 -0.26 0.00 0.00 58.87 59.72 1xm4 n SER 399 Cb 0.61 -1.40 0.36 0.00 -0.26 0.00 0.00 64.21 63.51 1xm4 n SER 399 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1xm4 h LEU 400 N 0.80 0.66 -1.38 1.04 5.85 -1.95 -0.40 115.31 119.94 1xm4 h LEU 400 Ca -0.48 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.31 1xm4 h LEU 400 Cb 1.35 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 1xm4 h LEU 400 CO 0.53 0.14 -0.28 1.05 -0.34 0.00 0.00 178.44 179.54 1xm4 h GLU 401 N 0.61 0.00 0.03 1.25 -0.00 -2.01 -1.43 114.58 113.03 1xm4 h GLU 401 Ca 0.61 0.00 -0.07 0.00 -0.00 0.00 0.00 59.36 59.91 1xm4 h GLU 401 Cb 1.11 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.87 1xm4 h GLU 401 CO -0.45 0.28 -0.28 -0.07 -0.00 0.00 0.00 179.01 178.48 1xm4 h LEU 402 N 0.00 0.20 -0.81 3.06 3.38 -1.42 -3.31 115.31 116.40 1xm4 h LEU 402 Ca -0.00 -0.88 0.18 0.00 0.09 0.00 0.00 57.88 57.26 1xm4 h LEU 402 Cb 0.62 -0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.19 1xm4 h LEU 402 CO 0.04 1.06 0.30 0.22 0.09 0.00 0.00 178.44 180.15 1xm4 h TYR 403 N -0.64 0.49 -0.15 1.13 3.20 -1.09 -1.69 116.97 118.22 1xm4 h TYR 403 Ca -0.04 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 1xm4 h TYR 403 Cb 1.13 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 1xm4 h TYR 403 CO 0.22 -0.02 -0.33 0.00 -1.64 0.00 0.00 178.16 176.38 1xm4 h ARG 404 N 0.38 0.31 -0.39 1.82 3.08 -1.38 -1.80 114.38 116.39 1xm4 h ARG 404 Ca 0.47 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 60.30 1xm4 h ARG 404 Cb 0.82 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 1xm4 h ARG 404 CO -0.49 0.61 -0.14 1.96 -1.07 0.00 0.00 179.97 180.85 1xm4 h GLN 405 N 0.27 0.71 -0.56 0.04 4.20 -1.41 -2.23 115.11 116.14 1xm4 h GLN 405 Ca 0.03 -0.24 -0.08 0.00 0.06 0.00 0.00 58.65 58.42 1xm4 h GLN 405 Cb 0.72 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1xm4 h GLN 405 CO 0.05 0.82 0.03 -1.49 -0.67 0.00 0.00 178.83 177.57 1xm4 h TRP 406 N 0.64 1.04 -0.18 2.96 -0.00 -1.08 -2.22 115.95 117.12 1xm4 h TRP 406 Ca 0.11 -0.17 -0.01 0.00 -0.00 0.00 0.00 58.89 58.82 1xm4 h TRP 406 Cb 0.60 -0.28 -0.01 0.00 -0.00 0.00 0.00 29.16 29.47 1xm4 h TRP 406 CO 0.03 0.93 0.08 1.15 -0.00 0.00 0.00 178.44 180.63 1xm4 h THR 407 N 0.85 1.14 -0.87 1.49 2.02 -1.20 0.79 112.91 117.13 1xm4 h THR 407 Ca 0.16 -0.41 0.12 0.00 0.77 0.00 0.00 66.41 67.05 1xm4 h THR 407 Cb 0.50 1.09 -0.08 0.00 -1.74 0.00 0.00 68.15 67.91 1xm4 h THR 407 CO 0.02 0.13 0.49 0.44 0.37 0.00 0.00 175.52 176.98 1xm4 h ASP 408 N 0.15 0.68 -0.16 4.18 3.32 -1.39 -1.50 116.42 121.69 1xm4 h ASP 408 Ca 0.06 0.06 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 1xm4 h ASP 408 Cb 0.14 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1xm4 h ASP 408 CO -0.01 0.35 -0.38 0.03 -1.72 0.00 0.00 179.24 177.51 1xm4 h ARG 409 N 0.77 0.55 -0.16 3.56 3.08 -0.64 -1.63 114.38 119.91 1xm4 h ARG 409 Ca 0.44 -0.37 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 1xm4 h ARG 409 Cb 0.50 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1xm4 h ARG 409 CO -0.29 0.99 -0.30 0.97 -1.07 0.00 0.00 179.97 180.26 1xm4 h ILE 410 N 0.19 1.27 -0.21 2.04 6.09 -0.72 -1.89 117.51 124.29 1xm4 h ILE 410 Ca -0.00 -1.28 -0.16 0.00 -1.37 0.00 0.00 64.86 62.04 1xm4 h ILE 410 Cb 0.99 1.48 -0.01 0.00 0.47 0.00 0.00 36.82 39.75 1xm4 h ILE 410 CO 0.08 0.39 -0.54 0.24 -3.07 0.00 0.00 178.15 175.25 1xm4 h MET 411 N 0.27 0.61 -0.59 2.19 2.86 -1.22 0.58 114.93 119.64 1xm4 h MET 411 Ca 0.04 -0.38 -0.07 0.00 -2.06 0.00 0.00 59.70 57.22 1xm4 h MET 411 Cb 0.67 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 1xm4 h MET 411 CO 0.05 1.00 0.08 1.49 1.06 0.00 0.00 176.91 180.58 1xm4 h GLU 412 N 0.47 0.98 -0.27 1.72 4.81 -1.07 -0.49 114.58 120.74 1xm4 h GLU 412 Ca 0.01 -0.27 -0.16 0.00 -0.13 0.00 0.00 59.36 58.81 1xm4 h GLU 412 Cb 1.10 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.37 1xm4 h GLU 412 CO 0.11 0.94 -0.45 1.49 -0.73 0.00 0.00 179.01 180.36 1xm4 h GLU 413 N 0.88 0.78 -0.57 1.92 4.81 -0.99 -2.55 114.58 118.85 1xm4 h GLU 413 Ca 0.18 -0.48 -0.10 0.00 -0.13 0.00 0.00 59.36 58.82 1xm4 h GLU 413 Cb 0.45 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1xm4 h GLU 413 CO 0.01 1.11 -0.04 0.74 -0.73 0.00 0.00 179.01 180.10 1xm4 h PHE 414 N 0.53 1.15 -0.08 0.92 -1.00 -0.84 -2.59 116.94 115.02 1xm4 h PHE 414 Ca 0.02 -0.22 -0.07 0.00 2.81 0.00 0.00 57.97 60.51 1xm4 h PHE 414 Cb 1.06 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 40.31 1xm4 h PHE 414 CO 0.08 1.04 -0.27 0.74 -1.61 0.00 0.00 178.31 178.28 1xm4 h PHE 415 N 0.93 0.15 -0.31 -0.55 0.04 -1.05 -1.09 116.94 115.07 1xm4 h PHE 415 Ca 0.16 -0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.82 1xm4 h PHE 415 Cb 0.61 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 1xm4 h PHE 415 CO 0.04 0.40 -0.12 1.96 -0.60 0.00 0.00 178.31 180.00 1xm4 h GLN 416 N 0.12 0.62 -0.61 1.51 4.20 -1.28 -1.06 115.11 118.62 1xm4 h GLN 416 Ca 0.02 -0.26 0.04 0.00 0.06 0.00 0.00 58.65 58.51 1xm4 h GLN 416 Cb 0.56 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.26 1xm4 h GLN 416 CO 0.04 0.83 0.34 0.37 -0.67 0.00 0.00 178.83 179.74 1xm4 h GLN 417 N 0.38 0.64 -0.77 1.46 4.15 -1.15 -1.77 115.11 118.05 1xm4 h GLN 417 Ca 0.07 -0.04 0.10 0.00 0.77 0.00 0.00 58.65 59.56 1xm4 h GLN 417 Cb 0.63 -0.14 -0.08 0.00 0.21 0.00 0.00 27.48 28.10 1xm4 h GLN 417 CO 0.04 0.42 0.41 0.78 -1.93 0.00 0.00 178.83 178.55 1xm4 h GLY 418 N 0.66 1.19 1.06 2.39 0.00 -0.83 -0.73 103.07 106.81 1xm4 h GLY 418 Ca 0.26 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1xm4 h GLY 418 CO -0.14 0.07 0.05 -0.55 0.00 0.00 0.00 176.54 175.96 1xm4 h ASP 419 N 0.67 1.00 -0.71 0.19 3.32 -0.64 -1.82 116.42 118.43 1xm4 h ASP 419 Ca 0.39 -0.28 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 1xm4 h ASP 419 Cb 0.41 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 1xm4 h ASP 419 CO -0.28 1.04 0.22 0.11 -1.72 0.00 0.00 179.24 178.61 1xm4 h LYS 420 N 0.93 1.10 -0.88 3.56 1.57 -0.49 0.19 116.57 122.55 1xm4 h LYS 420 Ca 0.18 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1xm4 h LYS 420 Cb 0.49 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 1xm4 h LYS 420 CO 0.02 0.94 0.48 0.93 -0.57 0.00 0.00 179.45 181.25 1xm4 h GLU 421 N 1.04 1.22 -0.17 3.15 5.08 -1.06 -2.56 114.58 121.28 1xm4 h GLU 421 Ca 0.23 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1xm4 h GLU 421 Cb 0.30 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1xm4 h GLU 421 CO -0.01 0.89 0.04 -0.09 -1.00 0.00 0.00 179.01 178.85 1xm4 h ARG 422 N 1.23 0.26 -0.37 2.33 2.43 -0.44 -1.62 114.38 118.21 1xm4 h ARG 422 Ca 0.31 -0.06 0.11 0.00 -0.81 0.00 0.00 59.98 59.52 1xm4 h ARG 422 Cb 0.03 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1xm4 h ARG 422 CO -0.05 0.40 0.33 0.93 -1.51 0.00 0.00 179.97 180.08 1xm4 h GLU 423 N 0.08 0.00 -0.02 0.20 5.08 -0.76 -2.17 114.58 116.98 1xm4 h GLU 423 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1xm4 h GLU 423 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1xm4 h GLU 423 CO 0.00 0.00 -0.29 0.54 -1.00 0.00 0.00 179.01 178.26 1xm4 n ARG 424 N -3.99 1.60 -1.04 2.33 1.74 -0.98 -4.99 116.66 111.33 1xm4 n ARG 424 Ca 0.06 -1.27 -0.01 0.00 -0.77 0.00 0.00 57.85 55.86 1xm4 n ARG 424 Cb 0.51 -1.43 -0.01 0.00 -1.02 0.00 0.00 32.46 30.51 1xm4 n ARG 424 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xm4 n GLY 425 N 1.32 0.50 3.93 -0.13 0.00 -0.68 -5.04 105.19 105.09 1xm4 n GLY 425 Ca 0.10 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 1xm4 n GLY 425 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xm4 s MET 426 N -1.40 1.01 0.00 1.61 -1.94 -0.77 -5.03 119.30 112.78 1xm4 s MET 426 Ca 0.00 -0.38 -0.20 0.00 -1.71 0.00 0.00 55.69 53.40 1xm4 s MET 426 Cb 0.00 -1.92 -0.05 0.00 2.01 0.00 0.00 34.83 34.87 1xm4 s MET 426 CO 0.00 -2.15 0.58 -1.21 -0.01 0.00 0.00 175.02 172.23 1xm4 s GLU 427 N -5.75 4.29 -0.19 2.03 2.02 -1.26 -4.69 118.70 115.15 1xm4 s GLU 427 Ca 0.71 0.71 -0.19 0.00 0.02 0.00 0.00 54.97 56.22 1xm4 s GLU 427 Cb -0.05 -3.33 -0.03 0.00 0.10 0.00 0.00 34.13 30.82 1xm4 s GLU 427 CO 0.51 0.41 0.54 0.42 0.02 0.00 0.00 175.26 177.16 1xm4 s ILE 428 N -0.32 5.10 0.32 -1.63 -1.09 -1.26 -5.01 121.20 117.30 1xm4 s ILE 428 Ca 0.30 1.01 -0.29 0.00 -2.23 0.00 0.00 60.65 59.44 1xm4 s ILE 428 Cb -0.18 -3.86 -0.11 0.00 -1.58 0.00 0.00 42.46 36.72 1xm4 s ILE 428 CO 0.17 0.18 1.53 -0.44 -1.23 0.00 0.00 174.94 175.15 1xm4 s SER 429 N 1.10 6.41 0.60 3.58 0.01 -1.26 -4.88 113.70 119.25 1xm4 s SER 429 Ca 0.25 2.95 0.30 0.00 1.31 0.00 0.00 55.95 60.77 1xm4 s SER 429 Cb -0.16 -2.65 1.81 0.00 0.21 0.00 0.00 66.02 65.24 1xm4 s SER 429 CO 0.10 -0.86 2.21 -0.65 0.41 0.00 0.00 173.24 174.45 1xm4 h PRO 430 N 4.11 0.00 -0.01 12.44 0.11 -1.97 -1.01 132.00 145.68 1xm4 h PRO 430 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xm4 h PRO 430 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xm4 h PRO 430 CO 0.73 0.00 -0.15 -1.33 -0.21 0.00 0.00 178.00 177.04 1xm4 n MET 431 N -3.77 1.01 -0.15 1.05 2.81 -1.26 -3.37 117.12 113.44 1xm4 n MET 431 Ca -0.02 -0.52 0.07 0.00 -1.81 0.00 0.00 57.70 55.43 1xm4 n MET 431 Cb 0.16 -1.49 0.16 0.00 -0.71 0.00 0.00 33.22 31.34 1xm4 n MET 431 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xm4 s ASP 433 N -1.09 6.25 0.58 0.00 -1.08 -1.20 -3.99 116.67 116.14 1xm4 s ASP 433 Ca 0.26 -1.43 0.28 0.00 -0.52 0.00 0.00 52.55 51.14 1xm4 s ASP 433 Cb 0.15 -2.34 1.73 0.00 -1.46 0.00 0.00 42.92 41.00 1xm4 s ASP 433 CO 0.20 -1.17 2.22 0.07 0.52 0.00 0.00 175.17 177.01 1xm4 h LYS 434 N 9.19 0.00 0.00 4.34 2.10 -1.90 -0.15 116.57 130.15 1xm4 h LYS 434 Ca -0.23 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.40 1xm4 h LYS 434 Cb 1.07 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.40 1xm4 h LYS 434 CO 1.11 0.02 -0.07 0.45 -2.00 0.00 0.00 179.45 178.96 1xm4 h HIS 435 N 0.00 0.00 0.00 0.07 3.86 -1.98 -3.40 115.15 113.71 1xm4 h HIS 435 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1xm4 h HIS 435 Cb 0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1xm4 h HIS 435 CO 0.00 0.07 -0.71 0.25 0.86 0.00 0.00 177.93 178.40 1xm4 n THR 436 N -3.13 0.00 -2.18 2.45 -2.24 -0.95 -5.09 114.28 103.14 1xm4 n THR 436 Ca 0.03 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.40 1xm4 n THR 436 Cb 0.50 -0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 68.06 1xm4 n THR 436 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xm4 s ALA 437 N -1.71 3.53 -0.30 6.98 0.00 -0.11 -5.00 121.76 125.15 1xm4 s ALA 437 Ca 0.00 1.16 -0.17 0.00 0.00 0.00 0.00 51.96 52.94 1xm4 s ALA 437 Cb 0.00 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 1xm4 s ALA 437 CO 0.00 -0.57 0.48 0.45 0.00 0.00 0.00 175.76 176.12 1xm4 s SER 438 N 0.19 6.34 0.23 0.00 0.15 -1.26 -4.93 113.70 114.42 1xm4 s SER 438 Ca 0.56 0.22 -0.07 0.00 0.70 0.00 0.00 55.95 57.36 1xm4 s SER 438 Cb -0.38 -2.26 0.20 0.00 -1.71 0.00 0.00 66.02 61.88 1xm4 s SER 438 CO 0.41 -0.35 1.84 0.58 1.20 0.00 0.00 173.24 176.92 1xm4 h VAL 439 N 5.49 1.26 -0.06 4.45 2.07 -1.97 -2.43 116.25 125.06 1xm4 h VAL 439 Ca -0.29 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.50 1xm4 h VAL 439 Cb 1.14 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1xm4 h VAL 439 CO 0.72 0.30 -0.16 -0.33 0.02 0.00 0.00 177.57 178.13 1xm4 h GLU 440 N 1.25 0.21 -0.87 1.57 3.07 -1.92 -2.30 114.58 115.59 1xm4 h GLU 440 Ca 0.31 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.36 59.01 1xm4 h GLU 440 Cb 0.06 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 27.95 1xm4 h GLU 440 CO -0.05 0.76 0.51 0.87 -1.40 0.00 0.00 179.01 179.71 1xm4 h LYS 441 N -0.31 1.19 -0.39 2.33 1.57 -1.87 -2.77 116.57 116.32 1xm4 h LYS 441 Ca -0.00 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.59 1xm4 h LYS 441 Cb 0.77 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1xm4 h LYS 441 CO 0.03 0.84 -0.05 0.77 -0.57 0.00 0.00 179.45 180.48 1xm4 h SER 442 N 1.21 0.62 -0.03 0.86 0.02 -1.36 -2.33 113.55 112.55 1xm4 h SER 442 Ca 0.31 -0.15 -0.15 0.00 -0.84 0.00 0.00 61.79 60.96 1xm4 h SER 442 Cb -0.03 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1xm4 h SER 442 CO -0.06 0.72 -0.49 1.56 -1.14 0.00 0.00 176.83 177.43 1xm4 h GLN 443 N 0.60 0.59 -0.47 3.45 1.08 -1.22 -1.87 115.11 117.27 1xm4 h GLN 443 Ca 0.12 -0.34 -0.06 0.00 -1.45 0.00 0.00 58.65 56.92 1xm4 h GLN 443 Cb 0.45 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 1xm4 h GLN 443 CO 0.02 0.94 0.07 0.28 -0.95 0.00 0.00 178.83 179.19 1xm4 h VAL 444 N 0.46 1.25 -0.25 -0.54 2.07 -1.30 -0.44 116.25 117.50 1xm4 h VAL 444 Ca 0.02 -0.92 -0.09 0.00 0.82 0.00 0.00 66.70 66.53 1xm4 h VAL 444 Cb 1.02 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1xm4 h VAL 444 CO 0.09 0.33 -0.23 1.23 0.02 0.00 0.00 177.57 179.01 1xm4 h GLY 445 N 0.65 0.51 0.84 2.17 0.00 -1.42 -1.11 103.07 104.71 1xm4 h GLY 445 Ca 0.14 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1xm4 h GLY 445 CO 0.01 0.37 0.01 -2.75 0.00 0.00 0.00 176.54 174.18 1xm4 h PHE 446 N 0.42 0.43 -0.22 5.60 3.57 -1.03 -2.26 116.94 123.45 1xm4 h PHE 446 Ca 0.06 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1xm4 h PHE 446 Cb 0.64 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1xm4 h PHE 446 CO 0.02 0.56 -0.00 0.82 -2.23 0.00 0.00 178.31 177.48 1xm4 h ILE 447 N 0.17 1.26 -0.10 1.41 2.04 -0.91 -2.04 117.51 119.33 1xm4 h ILE 447 Ca 0.07 -0.89 -0.09 0.00 1.00 0.00 0.00 64.86 64.95 1xm4 h ILE 447 Cb 0.38 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1xm4 h ILE 447 CO 0.01 0.28 -0.32 0.44 0.00 0.00 0.00 178.15 178.55 1xm4 h ASP 448 N 0.15 0.20 0.00 1.72 3.32 -1.17 0.12 116.42 120.75 1xm4 h ASP 448 Ca 0.06 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1xm4 h ASP 448 Cb 0.41 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1xm4 h ASP 448 CO 0.01 0.52 -0.45 -1.22 -1.72 0.00 0.00 179.24 176.38 1xm4 n TYR 449 N -4.11 0.00 0.07 4.55 0.53 -0.85 -4.56 117.16 112.79 1xm4 n TYR 449 Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.87 1xm4 n TYR 449 Cb 0.41 -0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.71 1xm4 n TYR 449 CO 0.00 0.00 0.00 -0.89 -1.02 0.00 0.00 176.86 174.95 1xm4 n ILE 450 N -1.23 0.28 0.35 -0.72 5.41 -0.91 -4.85 119.36 117.70 1xm4 n ILE 450 Ca 0.02 0.09 -0.17 0.00 1.00 0.00 0.00 62.75 63.69 1xm4 n ILE 450 Cb 0.15 -0.70 -0.08 0.00 -0.71 0.00 0.00 39.64 38.30 1xm4 n ILE 450 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1xm4 h VAL 451 N 0.00 0.25 -0.06 1.39 2.07 -1.39 -3.00 116.25 115.51 1xm4 h VAL 451 Ca 0.00 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.36 1xm4 h VAL 451 Cb 0.00 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 1xm4 h VAL 451 CO 0.00 0.02 -0.18 -0.74 0.02 0.00 0.00 177.57 176.69 1xm4 h HIS 452 N -1.05 -0.47 -0.86 1.57 -0.00 -0.99 -0.85 115.15 112.49 1xm4 h HIS 452 Ca -0.09 0.02 0.14 0.00 -0.00 0.00 0.00 60.37 60.43 1xm4 h HIS 452 Cb 0.73 0.22 -0.07 0.00 -0.00 0.00 0.00 27.41 28.29 1xm4 h HIS 452 CO -0.01 -0.26 0.56 -1.35 -0.00 0.00 0.00 177.93 176.87 1xm4 h PRO 453 N -0.27 0.65 0.11 5.26 0.11 -1.76 0.41 132.00 136.51 1xm4 h PRO 453 Ca 0.07 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 1xm4 h PRO 453 Cb 0.37 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1xm4 h PRO 453 CO -0.21 0.43 -0.05 1.25 -0.21 0.00 0.00 178.00 179.20 1xm4 h LEU 454 N 0.67 -0.13 -0.87 2.35 5.85 -1.34 -2.83 115.31 119.01 1xm4 h LEU 454 Ca 0.43 -0.44 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1xm4 h LEU 454 Cb 0.69 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1xm4 h LEU 454 CO -0.19 0.44 0.04 -0.50 -0.34 0.00 0.00 178.44 177.89 1xm4 h TRP 455 N -0.76 0.94 -0.93 1.25 4.06 -0.75 -0.33 115.95 119.43 1xm4 h TRP 455 Ca -0.02 -0.13 0.07 0.00 2.06 0.00 0.00 58.89 60.88 1xm4 h TRP 455 Cb 0.56 -0.26 -0.07 0.00 -1.00 0.00 0.00 29.16 28.39 1xm4 h TRP 455 CO 0.10 0.83 0.58 1.49 -3.56 0.00 0.00 178.44 177.88 1xm4 h GLU 456 N 0.83 1.00 -0.33 0.49 4.81 -0.28 0.14 114.58 121.24 1xm4 h GLU 456 Ca 0.16 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.17 1xm4 h GLU 456 Cb 0.44 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 1xm4 h GLU 456 CO 0.02 0.66 -0.46 1.15 -0.73 0.00 0.00 179.01 179.64 1xm4 h THR 457 N 1.03 1.28 -0.81 0.32 2.02 -1.11 -2.90 112.91 112.73 1xm4 h THR 457 Ca 0.41 -1.64 -0.01 0.00 0.77 0.00 0.00 66.41 65.94 1xm4 h THR 457 Cb 0.23 1.51 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 1xm4 h THR 457 CO -0.19 0.54 0.48 -0.25 0.37 0.00 0.00 175.52 176.47 1xm4 h TRP 458 N 0.69 1.08 0.00 3.16 2.91 -0.28 -2.74 115.95 120.76 1xm4 h TRP 458 Ca 0.04 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.03 1xm4 h TRP 458 Cb 1.05 -0.35 -0.00 0.00 -0.51 0.00 0.00 29.16 29.35 1xm4 h TRP 458 CO 0.06 0.72 -0.09 0.00 -1.03 0.00 0.00 178.44 178.11 1xm4 h ALA 459 N 1.26 1.53 -0.09 2.65 0.00 -0.60 -1.56 119.26 122.46 1xm4 h ALA 459 Ca 0.29 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1xm4 h ALA 459 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xm4 h ALA 459 CO -0.05 0.11 -0.38 -0.44 0.00 0.00 0.00 179.25 178.49 1xm4 h ASP 460 N 0.00 0.49 -0.72 0.00 5.19 -1.30 -0.88 116.42 119.19 1xm4 h ASP 460 Ca -0.00 -0.64 -0.03 0.00 -0.62 0.00 0.00 57.03 55.74 1xm4 h ASP 460 Cb 0.20 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.53 1xm4 h ASP 460 CO 0.01 1.04 0.32 0.25 -3.12 0.00 0.00 179.24 177.75 1xm4 h LEU 461 N -0.04 0.97 -3.12 1.55 5.85 -1.27 -3.22 115.31 116.02 1xm4 h LEU 461 Ca -0.02 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1xm4 h LEU 461 Cb 1.03 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.81 1xm4 h LEU 461 CO 0.08 0.85 0.00 1.33 -0.34 0.00 0.00 178.44 180.36 1xm4 n VAL 462 N -4.39 1.78 -1.73 1.05 0.24 -0.64 -4.96 118.33 109.69 1xm4 n VAL 462 Ca 0.06 -1.37 -0.42 0.00 -2.04 0.00 0.00 64.34 60.56 1xm4 n VAL 462 Cb 0.15 0.09 -0.01 0.00 -1.47 0.00 0.00 33.84 32.61 1xm4 n VAL 462 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xm4 n GLN 463 N 0.39 2.34 -0.56 7.34 10.64 -0.34 -1.26 117.38 135.93 1xm4 n GLN 463 Ca 0.20 0.82 0.08 0.00 -1.83 0.00 0.00 57.00 56.27 1xm4 n GLN 463 Cb 0.77 -2.46 0.31 0.00 -0.86 0.00 0.00 30.24 28.00 1xm4 n GLN 463 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 1xm4 n PRO 464 N 0.65 3.47 -0.29 2.61 -0.04 -1.26 -4.95 135.00 135.18 1xm4 n PRO 464 Ca 0.04 -2.45 0.12 0.00 -0.04 0.00 0.00 63.50 61.16 1xm4 n PRO 464 Cb 0.37 -1.85 0.36 0.00 -0.04 0.00 0.00 33.50 32.33 1xm4 n PRO 464 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1xm4 h ASP 465 N 3.46 0.70 -0.57 3.54 3.32 -1.48 -2.50 116.42 122.88 1xm4 h ASP 465 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1xm4 h ASP 465 Cb 1.34 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1xm4 h ASP 465 CO 0.23 0.34 0.00 0.00 -1.72 0.00 0.00 179.24 178.10 1xm4 n ALA 466 N -2.41 3.00 -0.16 3.45 0.00 -1.26 -4.50 120.51 118.62 1xm4 n ALA 466 Ca 0.18 -1.35 -0.07 0.00 0.00 0.00 0.00 53.44 52.21 1xm4 n ALA 466 Cb 0.47 -1.02 0.02 0.00 0.00 0.00 0.00 19.45 18.92 1xm4 n ALA 466 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1xm4 h GLN 467 N 3.55 0.58 -0.51 0.00 5.75 -1.79 -2.62 115.11 120.08 1xm4 h GLN 467 Ca 0.00 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1xm4 h GLN 467 Cb 1.27 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.66 1xm4 h GLN 467 CO 0.20 0.38 0.31 -0.44 -2.65 0.00 0.00 178.83 176.63 1xm4 h ASP 468 N 0.60 0.59 -0.45 -0.69 3.45 -1.84 -1.46 116.42 116.62 1xm4 h ASP 468 Ca 0.19 -0.02 -0.12 0.00 0.43 0.00 0.00 57.03 57.50 1xm4 h ASP 468 Cb -0.02 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.59 1xm4 h ASP 468 CO -0.07 0.45 -0.19 0.40 -1.57 0.00 0.00 179.24 178.26 1xm4 h ILE 469 N 0.69 1.27 -0.53 0.35 2.04 -1.82 -2.12 117.51 117.38 1xm4 h ILE 469 Ca 0.18 -1.34 -0.06 0.00 1.00 0.00 0.00 64.86 64.65 1xm4 h ILE 469 Cb -0.04 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1xm4 h ILE 469 CO -0.04 0.46 0.11 0.25 0.00 0.00 0.00 178.15 178.93 1xm4 h LEU 470 N 0.77 0.82 -0.88 1.44 5.85 -1.04 -1.84 115.31 120.43 1xm4 h LEU 470 Ca 0.10 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1xm4 h LEU 470 Cb 0.76 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 1xm4 h LEU 470 CO 0.06 0.86 0.57 0.44 -0.34 0.00 0.00 178.44 180.03 1xm4 h ASP 471 N 0.75 0.98 -0.32 1.25 3.32 -1.11 -1.90 116.42 119.40 1xm4 h ASP 471 Ca 0.16 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 1xm4 h ASP 471 Cb 0.37 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1xm4 h ASP 471 CO 0.01 0.69 -0.14 0.74 -1.72 0.00 0.00 179.24 178.82 1xm4 h THR 472 N 1.15 1.29 -0.49 0.35 2.02 -1.08 -2.17 112.91 113.98 1xm4 h THR 472 Ca 0.33 -1.24 0.10 0.00 0.77 0.00 0.00 66.41 66.37 1xm4 h THR 472 Cb -0.08 1.42 -0.09 0.00 -1.74 0.00 0.00 68.15 67.67 1xm4 h THR 472 CO -0.09 0.40 -0.05 0.25 0.37 0.00 0.00 175.52 176.41 1xm4 h LEU 473 N 0.42 -0.30 -0.49 2.58 5.85 -1.11 0.36 115.31 122.63 1xm4 h LEU 473 Ca 0.07 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1xm4 h LEU 473 Cb 0.67 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1xm4 h LEU 473 CO 0.04 -0.11 0.21 -0.08 -0.34 0.00 0.00 178.44 178.17 1xm4 h GLU 474 N 0.07 0.72 -0.07 1.25 4.81 -1.27 0.19 114.58 120.27 1xm4 h GLU 474 Ca 0.24 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 1xm4 h GLU 474 Cb 0.37 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1xm4 h GLU 474 CO -0.45 0.62 -0.42 -0.44 -0.73 0.00 0.00 179.01 177.60 1xm4 h ASP 475 N 0.64 0.16 0.41 1.04 3.32 -0.69 -1.81 116.42 119.50 1xm4 h ASP 475 Ca 0.16 -0.07 -0.17 0.00 0.02 0.00 0.00 57.03 56.98 1xm4 h ASP 475 Cb 0.16 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1xm4 h ASP 475 CO -0.02 0.57 -0.71 0.78 -1.72 0.00 0.00 179.24 178.14 1xm4 h ASN 476 N 0.13 0.31 -0.24 6.45 2.35 0.12 -1.97 115.58 122.72 1xm4 h ASN 476 Ca 0.01 -0.20 -0.11 0.00 -0.55 0.00 0.00 56.30 55.45 1xm4 h ASN 476 Cb 0.80 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 39.08 1xm4 h ASN 476 CO 0.06 0.92 -0.29 -0.09 -1.65 0.00 0.00 177.43 176.38 1xm4 h ARG 477 N 0.17 0.63 -0.21 0.81 1.12 -0.80 -2.08 114.38 114.02 1xm4 h ARG 477 Ca -0.02 -0.35 -0.02 0.00 -1.11 0.00 0.00 59.98 58.48 1xm4 h ARG 477 Cb 1.27 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 31.24 1xm4 h ARG 477 CO 0.11 0.96 0.03 -0.91 -3.11 0.00 0.00 179.97 177.05 1xm4 h ASN 478 N 0.34 0.27 -0.18 -3.80 2.35 -1.33 -1.36 115.58 111.87 1xm4 h ASN 478 Ca 0.03 -0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.67 1xm4 h ASN 478 Cb 0.86 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.16 1xm4 h ASN 478 CO 0.07 0.30 -0.23 -0.25 -1.65 0.00 0.00 177.43 175.67 1xm4 h TRP 479 N 0.30 0.57 -0.25 1.19 7.01 -0.91 -1.94 115.95 121.92 1xm4 h TRP 479 Ca 0.07 -0.18 -0.13 0.00 2.11 0.00 0.00 58.89 60.76 1xm4 h TRP 479 Cb 0.15 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.09 1xm4 h TRP 479 CO 0.00 0.86 -0.37 1.88 -2.79 0.00 0.00 178.44 178.03 1xm4 h TYR 480 N 0.12 0.65 -0.94 2.65 0.05 -1.25 -2.44 116.97 115.82 1xm4 h TYR 480 Ca 0.02 -0.18 -0.00 0.00 0.05 0.00 0.00 58.73 58.62 1xm4 h TYR 480 Cb 0.79 -0.14 -0.05 0.00 1.01 0.00 0.00 36.73 38.34 1xm4 h TYR 480 CO 0.09 0.85 0.57 0.37 -1.05 0.00 0.00 178.16 178.99 1xm4 h GLN 481 N 0.47 1.26 0.00 4.88 5.75 -1.24 -1.77 115.11 124.46 1xm4 h GLN 481 Ca 0.05 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.42 1xm4 h GLN 481 Cb 0.86 -0.27 -0.00 0.00 1.07 0.00 0.00 27.48 29.14 1xm4 h GLN 481 CO 0.07 0.87 -0.08 0.66 -2.65 0.00 0.00 178.83 177.71 1xm4 h SER 482 N 1.29 0.00 0.46 -0.69 4.64 -0.97 -2.65 113.55 115.62 1xm4 h SER 482 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1xm4 h SER 482 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1xm4 h SER 482 CO -0.07 0.08 0.00 0.23 -0.87 0.00 0.00 176.83 176.20 1xm4 n MET 483 N -3.18 0.43 -3.24 4.77 2.81 -0.67 -4.76 117.12 113.28 1xm4 n MET 483 Ca 0.01 0.03 -0.40 0.00 -1.81 0.00 0.00 57.70 55.53 1xm4 n MET 483 Cb 0.39 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.32 1xm4 n MET 483 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1xm4 s ILE 484 N -2.51 5.06 -1.95 2.02 1.01 -1.00 -5.02 121.20 118.81 1xm4 s ILE 484 Ca 0.27 0.79 0.00 0.00 0.00 0.00 0.00 60.65 61.71 1xm4 s ILE 484 Cb 0.18 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.81 1xm4 s ILE 484 CO 0.40 0.04 0.49 -2.65 0.00 0.00 0.00 174.94 173.22