#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jd4 s TYR 216 N 0.00 3.20 0.00 1.20 5.04 -1.26 -5.00 117.35 120.53 1jd4 s TYR 216 Ca 0.00 -0.05 0.00 0.00 -2.44 0.00 0.00 57.07 54.58 1jd4 s TYR 216 Cb 0.00 -2.15 0.00 0.00 0.35 0.00 0.00 41.96 40.16 1jd4 s TYR 216 CO 0.00 -0.02 0.00 0.34 -1.34 0.00 0.00 175.55 174.53 1jd4 n PHE 217 N 4.08 0.00 -1.55 4.97 -0.00 -1.26 -5.14 117.46 118.56 1jd4 n PHE 217 Ca -0.16 0.00 -0.49 0.00 -0.00 0.00 0.00 57.45 56.80 1jd4 n PHE 217 Cb 0.52 0.00 -0.04 0.00 -0.00 0.00 0.00 39.48 39.96 1jd4 n PHE 217 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1jd4 n PRO 218 N -0.06 0.91 0.21 -7.13 -0.02 -1.26 -4.87 135.00 122.78 1jd4 n PRO 218 Ca 0.00 0.32 0.06 0.00 -2.02 0.00 0.00 63.50 61.87 1jd4 n PRO 218 Cb 0.00 -1.73 0.48 0.00 -0.02 0.00 0.00 33.50 32.23 1jd4 n PRO 218 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1jd4 h GLN 219 N 2.76 0.00 -2.50 -0.52 5.75 0.09 -3.26 115.11 117.43 1jd4 h GLN 219 Ca -0.41 0.00 -0.60 0.00 -0.15 0.00 0.00 58.65 57.49 1jd4 h GLN 219 Cb 1.36 0.00 -0.40 0.00 1.07 0.00 0.00 27.48 29.51 1jd4 h GLN 219 CO 0.66 0.27 -0.82 0.66 -2.65 0.00 0.00 178.83 176.96 1jd4 n TYR 220 N -3.88 1.15 -0.22 3.99 4.02 0.74 -4.97 117.16 117.97 1jd4 n TYR 220 Ca -0.02 -3.79 0.30 0.00 -0.01 0.00 0.00 57.90 54.38 1jd4 n TYR 220 Cb 0.36 -0.24 0.71 0.00 -0.02 0.00 0.00 39.34 40.15 1jd4 n TYR 220 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1jd4 h PRO 221 N 5.06 0.04 -0.03 -0.72 0.11 -1.78 -0.15 132.00 134.53 1jd4 h PRO 221 Ca 0.19 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.27 1jd4 h PRO 221 Cb 0.82 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 1jd4 h PRO 221 CO 0.56 0.02 -0.11 1.05 -0.21 0.00 0.00 178.00 179.32 1jd4 h GLU 222 N 0.04 0.04 -0.85 1.05 9.09 -1.93 -2.66 114.58 119.36 1jd4 h GLU 222 Ca 0.47 -0.01 -0.40 0.00 0.05 0.00 0.00 59.36 59.48 1jd4 h GLU 222 Cb 1.82 -0.01 -0.24 0.00 -1.65 0.00 0.00 28.75 28.67 1jd4 h GLU 222 CO -0.03 0.16 0.46 0.66 0.05 0.00 0.00 179.01 180.31 1jd4 n TYR 223 N -4.39 2.65 -0.13 2.06 0.53 -0.07 -4.56 117.16 113.25 1jd4 n TYR 223 Ca -0.02 -1.65 -0.08 0.00 -1.02 0.00 0.00 57.90 55.12 1jd4 n TYR 223 Cb 0.20 -0.82 0.06 0.00 -1.03 0.00 0.00 39.34 37.75 1jd4 n TYR 223 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1jd4 h ALA 224 N 1.42 0.85 -2.67 -0.72 0.00 -1.55 -3.43 119.26 113.16 1jd4 h ALA 224 Ca 0.49 -0.35 -0.53 0.00 0.00 0.00 0.00 54.91 54.52 1jd4 h ALA 224 Cb 2.58 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 20.16 1jd4 h ALA 224 CO 0.92 0.64 0.23 0.42 0.00 0.00 0.00 179.25 181.46 1jd4 s ILE 225 N -4.76 4.51 0.15 0.00 1.09 -1.26 -4.97 121.20 115.95 1jd4 s ILE 225 Ca -0.10 1.80 -0.18 0.00 -1.10 0.00 0.00 60.65 61.06 1jd4 s ILE 225 Cb 0.13 -4.19 0.03 0.00 -1.06 0.00 0.00 42.46 37.37 1jd4 s ILE 225 CO 0.85 0.41 1.70 -0.08 -0.10 0.00 0.00 174.94 177.72 1jd4 h GLU 226 N 5.10 0.03 -0.70 2.79 4.81 -1.93 -2.57 114.58 122.11 1jd4 h GLU 226 Ca -0.45 -0.00 0.15 0.00 -0.13 0.00 0.00 59.36 58.93 1jd4 h GLU 226 Cb 1.21 -0.01 -0.12 0.00 0.63 0.00 0.00 28.75 30.46 1jd4 h GLU 226 CO 0.69 0.02 -0.01 1.15 -0.73 0.00 0.00 179.01 180.14 1jd4 h THR 227 N 0.04 0.39 -0.20 0.32 2.02 -1.95 0.28 112.91 113.81 1jd4 h THR 227 Ca 0.14 -0.04 -0.05 0.00 0.77 0.00 0.00 66.41 67.24 1jd4 h THR 227 Cb 0.21 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1jd4 h THR 227 CO -0.28 0.02 -0.08 0.00 0.37 0.00 0.00 175.52 175.54 1jd4 h ALA 228 N 1.65 1.48 -0.22 6.16 0.00 -1.83 -2.58 119.26 123.92 1jd4 h ALA 228 Ca 0.38 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 1jd4 h ALA 228 Cb 0.64 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1jd4 h ALA 228 CO -0.62 0.37 -0.54 0.00 0.00 0.00 0.00 179.25 178.46 1jd4 h ARG 229 N 0.30 0.75 0.13 0.00 3.08 -0.24 -3.31 114.38 115.09 1jd4 h ARG 229 Ca 0.06 -0.51 0.01 0.00 0.07 0.00 0.00 59.98 59.61 1jd4 h ARG 229 Cb 0.35 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1jd4 h ARG 229 CO 0.02 1.14 -0.15 1.25 -1.07 0.00 0.00 179.97 181.15 1jd4 h LEU 230 N 0.48 -0.41 -1.48 3.04 6.46 -0.54 -2.86 115.31 120.00 1jd4 h LEU 230 Ca -0.00 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.83 1jd4 h LEU 230 Cb 1.15 0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 41.22 1jd4 h LEU 230 CO 0.12 -0.23 0.56 0.03 -0.62 0.00 0.00 178.44 178.30 1jd4 h ARG 231 N -0.32 0.00 -0.00 1.25 3.08 -1.55 0.43 114.38 117.26 1jd4 h ARG 231 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1jd4 h ARG 231 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1jd4 h ARG 231 CO -0.06 0.00 -0.01 0.25 -1.07 0.00 0.00 179.97 179.08 1jd4 n THR 232 N -2.94 0.00 -0.01 2.04 -2.24 -1.08 -3.65 114.28 106.40 1jd4 n THR 232 Ca 0.01 -0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.85 1jd4 n THR 232 Cb 0.63 -0.46 0.26 0.00 -2.10 0.00 0.00 70.33 68.65 1jd4 n THR 232 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1jd4 n PHE 233 N -1.28 1.10 0.08 4.78 3.01 0.14 -4.42 117.46 120.88 1jd4 n PHE 233 Ca 0.14 -0.43 0.05 0.00 1.01 0.00 0.00 57.45 58.21 1jd4 n PHE 233 Cb 0.25 -0.21 0.47 0.00 -0.01 0.00 0.00 39.48 39.98 1jd4 n PHE 233 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 1jd4 h GLU 234 N 2.90 0.36 -0.70 -1.08 4.11 -1.78 -0.54 114.58 117.84 1jd4 h GLU 234 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1jd4 h GLU 234 Cb 1.14 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1jd4 h GLU 234 CO 0.18 0.28 0.00 0.00 0.07 0.00 0.00 179.01 179.54 1jd4 n ALA 235 N -2.49 2.39 -1.80 1.06 0.00 -1.26 -4.96 120.51 113.44 1jd4 n ALA 235 Ca 0.01 -1.23 -0.42 0.00 0.00 0.00 0.00 53.44 51.79 1jd4 n ALA 235 Cb 0.10 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 1jd4 n ALA 235 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1jd4 s TRP 236 N -1.06 2.93 -0.78 0.00 -0.11 -0.21 -4.81 118.94 114.89 1jd4 s TRP 236 Ca 0.47 0.43 -0.25 0.00 1.22 0.00 0.00 56.10 57.98 1jd4 s TRP 236 Cb 0.25 -4.06 -0.17 0.00 -1.50 0.00 0.00 33.47 27.98 1jd4 s TRP 236 CO 0.32 -4.01 2.45 -2.30 -4.62 0.00 0.00 176.95 168.79 1jd4 n PRO 237 N 4.06 0.48 -0.33 5.86 -0.02 -1.26 -4.81 135.00 138.97 1jd4 n PRO 237 Ca 0.15 -0.18 0.23 0.00 -2.02 0.00 0.00 63.50 61.68 1jd4 n PRO 237 Cb 0.36 -2.55 0.44 0.00 -0.02 0.00 0.00 33.50 31.74 1jd4 n PRO 237 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1jd4 h ARG 238 N 14.65 0.06 0.00 -0.52 2.43 -1.96 -0.73 114.38 128.31 1jd4 h ARG 238 Ca -0.09 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1jd4 h ARG 238 Cb 1.20 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1jd4 h ARG 238 CO 1.27 0.04 0.00 -1.71 -1.51 0.00 0.00 179.97 178.06 1jd4 n ASN 239 N -5.31 0.10 -4.80 -3.80 5.15 -1.26 -4.79 115.26 100.54 1jd4 n ASN 239 Ca 0.30 0.54 -0.34 0.00 -0.60 0.00 0.00 54.58 54.48 1jd4 n ASN 239 Cb 1.01 -0.55 -0.02 0.00 -0.53 0.00 0.00 39.78 39.68 1jd4 n ASN 239 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1jd4 s LEU 240 N -3.25 3.76 0.16 1.20 1.02 -0.28 -4.97 118.68 116.32 1jd4 s LEU 240 Ca 0.03 1.90 -0.11 0.00 0.02 0.00 0.00 54.13 55.97 1jd4 s LEU 240 Cb 0.05 -4.55 0.02 0.00 0.02 0.00 0.00 46.19 41.72 1jd4 s LEU 240 CO 0.15 -0.88 1.58 0.11 0.02 0.00 0.00 176.35 177.33 1jd4 h LYS 241 N 1.27 0.95 -6.43 1.70 6.56 -1.89 -3.40 116.57 115.33 1jd4 h LYS 241 Ca -0.49 -0.35 -0.55 0.00 -1.06 0.00 0.00 60.65 58.20 1jd4 h LYS 241 Cb 1.22 -0.06 -0.05 0.00 -0.57 0.00 0.00 32.23 32.77 1jd4 h LYS 241 CO 0.59 1.01 1.11 -0.65 -2.06 0.00 0.00 179.45 179.45 1jd4 s GLN 242 N -4.85 3.38 0.56 3.15 1.11 -1.26 -5.00 119.66 116.76 1jd4 s GLN 242 Ca -0.12 0.74 -0.14 0.00 0.01 0.00 0.00 55.36 55.85 1jd4 s GLN 242 Cb 0.12 -4.10 -0.06 0.00 -1.01 0.00 0.00 33.01 27.96 1jd4 s GLN 242 CO 0.85 -1.82 1.01 -1.59 0.01 0.00 0.00 175.29 173.75 1jd4 s LYS 243 N 5.36 3.75 0.14 2.91 -2.85 -1.26 -4.90 119.74 122.88 1jd4 s LYS 243 Ca 0.59 0.90 -0.23 0.00 -1.00 0.00 0.00 55.97 56.23 1jd4 s LYS 243 Cb -0.13 -2.10 -0.00 0.00 -2.06 0.00 0.00 37.83 33.54 1jd4 s LYS 243 CO 0.29 -0.44 1.64 -1.35 0.10 0.00 0.00 175.35 175.59 1jd4 h PRO 244 N 0.40 -0.25 -0.99 1.78 0.11 -1.94 -1.88 132.00 129.23 1jd4 h PRO 244 Ca -0.46 0.02 0.24 0.00 0.11 0.00 0.00 66.00 65.91 1jd4 h PRO 244 Cb 1.19 0.06 -0.08 0.00 0.11 0.00 0.00 31.00 32.28 1jd4 h PRO 244 CO 0.61 -0.17 0.65 0.45 -0.21 0.00 0.00 178.00 179.33 1jd4 h HIS 245 N -0.26 0.59 0.38 0.65 3.86 -1.94 0.23 115.15 118.66 1jd4 h HIS 245 Ca 0.11 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 1jd4 h HIS 245 Cb 0.42 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1jd4 h HIS 245 CO -0.33 0.10 -0.18 1.96 0.86 0.00 0.00 177.93 180.34 1jd4 h GLN 246 N 0.40 -0.49 -0.95 2.45 4.20 -1.74 -2.02 115.11 116.95 1jd4 h GLN 246 Ca 0.54 0.03 0.21 0.00 0.06 0.00 0.00 58.65 59.49 1jd4 h GLN 246 Cb 1.37 0.11 -0.08 0.00 0.30 0.00 0.00 27.48 29.19 1jd4 h GLN 246 CO -0.23 -0.33 0.61 -0.07 -0.67 0.00 0.00 178.83 178.15 1jd4 h LEU 247 N -0.75 0.52 0.68 1.46 3.38 -0.94 -1.30 115.31 118.36 1jd4 h LEU 247 Ca -0.05 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1jd4 h LEU 247 Cb 0.39 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1jd4 h LEU 247 CO 0.09 0.19 -0.33 0.00 0.09 0.00 0.00 178.44 178.48 1jd4 h ALA 248 N 1.62 -0.91 -0.38 1.53 0.00 -0.59 -1.08 119.26 119.46 1jd4 h ALA 248 Ca 0.52 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.31 1jd4 h ALA 248 Cb 1.14 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1jd4 h ALA 248 CO -0.24 -0.97 0.26 0.93 0.00 0.00 0.00 179.25 179.23 1jd4 h GLU 249 N -0.98 0.10 -0.11 0.00 5.08 -0.50 0.42 114.58 118.59 1jd4 h GLU 249 Ca -0.09 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1jd4 h GLU 249 Cb 0.72 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1jd4 h GLU 249 CO 0.15 0.07 0.00 0.00 -1.00 0.00 0.00 179.01 178.23 1jd4 n ALA 250 N -2.58 2.38 -0.80 3.43 0.00 -0.66 -4.83 120.51 117.45 1jd4 n ALA 250 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1jd4 n ALA 250 Cb 0.38 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1jd4 n ALA 250 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jd4 n GLY 251 N 0.35 0.56 3.82 0.00 0.00 0.13 -4.85 105.19 105.20 1jd4 n GLY 251 Ca 0.00 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 1jd4 n GLY 251 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jd4 s PHE 252 N -2.00 3.30 0.11 1.61 0.40 -0.43 -1.74 117.98 119.22 1jd4 s PHE 252 Ca 0.00 0.14 0.05 0.00 -0.60 0.00 0.00 56.93 56.52 1jd4 s PHE 252 Cb 0.00 -1.67 -0.04 0.00 0.51 0.00 0.00 43.02 41.82 1jd4 s PHE 252 CO 0.00 0.55 -0.12 -0.59 0.70 0.00 0.00 175.22 175.76 1jd4 s PHE 253 N -1.41 1.21 -0.02 0.36 -0.12 0.34 -3.90 117.98 114.44 1jd4 s PHE 253 Ca 0.30 -0.60 -0.29 0.00 -0.05 0.00 0.00 56.93 56.30 1jd4 s PHE 253 Cb -0.12 -0.65 -0.03 0.00 -0.63 0.00 0.00 43.02 41.59 1jd4 s PHE 253 CO 0.23 0.06 0.93 -0.47 -0.05 0.00 0.00 175.22 175.93 1jd4 s TYR 254 N -2.24 3.63 -0.71 3.49 5.04 -1.26 -1.36 117.35 123.93 1jd4 s TYR 254 Ca 0.06 1.61 0.22 0.00 -2.44 0.00 0.00 57.07 56.52 1jd4 s TYR 254 Cb -0.04 -3.07 0.88 0.00 0.35 0.00 0.00 41.96 40.08 1jd4 s TYR 254 CO 0.01 -0.01 1.68 2.41 -1.34 0.00 0.00 175.55 178.30 1jd4 n THR 255 N 3.94 0.76 0.00 4.34 -1.04 -0.76 -4.89 114.28 116.63 1jd4 n THR 255 Ca 0.05 0.13 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 1jd4 n THR 255 Cb 0.51 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 68.06 1jd4 n THR 255 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jd4 n GLY 256 N 0.35 2.57 3.40 3.41 0.00 -1.26 -5.01 105.19 108.66 1jd4 n GLY 256 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1jd4 n GLY 256 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jd4 s VAL 257 N -2.31 3.36 0.00 1.61 1.01 -1.26 -5.03 120.40 117.78 1jd4 s VAL 257 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1jd4 s VAL 257 Cb 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.93 1jd4 s VAL 257 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1jd4 n GLY 258 N 3.69 3.32 0.48 4.51 0.00 -1.26 -2.28 105.19 113.65 1jd4 n GLY 258 Ca -0.18 0.20 0.07 0.00 0.00 0.00 0.00 46.02 46.10 1jd4 n GLY 258 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jd4 n ASP 259 N 5.41 1.63 -4.67 1.61 5.75 -1.26 -4.59 116.55 120.44 1jd4 n ASP 259 Ca 0.00 -3.07 -0.42 0.00 -0.01 0.00 0.00 54.79 51.29 1jd4 n ASP 259 Cb 0.00 -0.41 -0.04 0.00 -1.03 0.00 0.00 41.12 39.64 1jd4 n ASP 259 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1jd4 s ARG 260 N -2.23 4.29 0.23 0.11 0.52 -0.97 -4.44 118.95 116.47 1jd4 s ARG 260 Ca 0.30 1.08 0.10 0.00 -0.52 0.00 0.00 55.73 56.68 1jd4 s ARG 260 Cb 0.28 -3.59 -0.05 0.00 0.52 0.00 0.00 34.95 32.12 1jd4 s ARG 260 CO -0.03 -0.38 -0.17 0.14 0.02 0.00 0.00 175.30 174.87 1jd4 s VAL 261 N 2.34 2.07 0.04 3.52 -7.23 -0.52 -1.83 120.40 118.79 1jd4 s VAL 261 Ca 0.39 -2.26 0.03 0.00 -1.81 0.00 0.00 61.98 58.34 1jd4 s VAL 261 Cb -0.16 -2.13 -0.02 0.00 0.56 0.00 0.00 36.38 34.62 1jd4 s VAL 261 CO 0.12 -0.48 -0.10 -0.13 -0.31 0.00 0.00 175.10 174.20 1jd4 s ARG 262 N -3.48 0.66 0.05 4.82 0.52 -0.47 -1.00 118.95 120.05 1jd4 s ARG 262 Ca 0.25 -0.74 -0.22 0.00 -0.52 0.00 0.00 55.73 54.50 1jd4 s ARG 262 Cb -0.03 -0.56 -0.06 0.00 0.52 0.00 0.00 34.95 34.82 1jd4 s ARG 262 CO 0.10 0.12 0.65 0.00 0.02 0.00 0.00 175.30 176.19 1jd4 h PHE 264 N 5.22 0.00 0.00 0.00 -5.15 -1.64 0.93 116.94 116.29 1jd4 h PHE 264 Ca -0.46 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 57.24 1jd4 h PHE 264 Cb 1.21 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.37 1jd4 h PHE 264 CO 0.66 0.35 -0.53 0.66 -2.00 0.00 0.00 178.31 177.46 1jd4 h SER 265 N 0.00 0.00 0.69 -0.68 4.64 -1.88 0.29 113.55 116.61 1jd4 h SER 265 Ca -0.00 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1jd4 h SER 265 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1jd4 h SER 265 CO 0.05 0.95 -0.63 0.00 -0.87 0.00 0.00 176.83 176.33 1jd4 n GLY 267 N 1.40 0.44 3.77 0.00 0.00 0.32 -4.95 105.19 106.16 1jd4 n GLY 267 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1jd4 n GLY 267 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jd4 s GLY 268 N -2.00 2.94 -0.08 -0.02 0.00 -1.26 -4.58 107.32 102.32 1jd4 s GLY 268 Ca 0.00 0.99 0.05 0.00 0.00 0.00 0.00 44.72 45.76 1jd4 s GLY 268 CO 0.00 1.56 -0.24 -0.32 0.00 0.00 0.00 173.10 174.10 1jd4 s GLY 269 N -0.96 1.28 0.01 0.20 0.00 -1.26 -0.65 107.32 105.96 1jd4 s GLY 269 Ca 0.52 -0.97 0.08 0.00 0.00 0.00 0.00 44.72 44.35 1jd4 s GLY 269 CO 0.42 -0.43 -0.22 1.08 0.00 0.00 0.00 173.10 173.94 1jd4 s LEU 270 N 0.15 2.34 0.00 0.66 1.43 -0.17 -4.93 118.68 118.17 1jd4 s LEU 270 Ca -0.13 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 1jd4 s LEU 270 Cb -0.16 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.66 1jd4 s LEU 270 CO 0.07 0.29 0.00 1.15 0.23 0.00 0.00 176.35 178.08 1jd4 n MET 271 N 1.96 0.29 -4.24 1.70 0.00 -1.26 -1.44 117.12 114.12 1jd4 n MET 271 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.18 1jd4 n MET 271 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.70 1jd4 n MET 271 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1jd4 n ASP 272 N -0.83 -2.10 -4.58 3.17 8.00 -1.26 -4.82 116.55 114.13 1jd4 n ASP 272 Ca 0.00 -1.08 -0.40 0.00 0.71 0.00 0.00 54.79 54.02 1jd4 n ASP 272 Cb 0.00 -2.49 -0.03 0.00 -0.02 0.00 0.00 41.12 38.58 1jd4 n ASP 272 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1jd4 s TRP 273 N -3.51 1.23 0.71 1.24 0.52 -1.26 -4.98 118.94 112.88 1jd4 s TRP 273 Ca 0.56 0.93 -0.10 0.00 0.02 0.00 0.00 56.10 57.51 1jd4 s TRP 273 Cb -0.31 -3.83 0.03 0.00 -1.15 0.00 0.00 33.47 28.21 1jd4 s TRP 273 CO 0.95 -3.31 1.08 1.21 0.02 0.00 0.00 176.95 176.89 1jd4 s ASN 274 N 9.46 5.18 0.34 2.95 3.84 -1.26 -4.95 114.94 130.50 1jd4 s ASN 274 Ca 0.95 0.91 0.04 0.00 0.21 0.00 0.00 52.86 54.98 1jd4 s ASN 274 Cb -0.25 -1.65 0.67 0.00 -0.55 0.00 0.00 41.25 39.47 1jd4 s ASN 274 CO 0.31 -1.46 1.93 0.44 -2.79 0.00 0.00 177.10 175.53 1jd4 h ASP 275 N -0.67 0.75 -0.05 -4.21 3.32 -2.03 -2.30 116.42 111.23 1jd4 h ASP 275 Ca -0.45 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1jd4 h ASP 275 Cb 1.28 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1jd4 h ASP 275 CO 0.63 0.47 0.00 -0.46 -1.72 0.00 0.00 179.24 178.17 1jd4 n ASN 276 N -4.49 0.65 -4.78 6.45 0.23 -1.26 -4.89 115.26 107.17 1jd4 n ASN 276 Ca 0.13 -2.02 -0.36 0.00 -0.53 0.00 0.00 54.58 51.79 1jd4 n ASN 276 Cb 0.25 -0.19 -0.07 0.00 -2.08 0.00 0.00 39.78 37.69 1jd4 n ASN 276 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 1jd4 s ASP 277 N -0.69 6.40 -0.14 0.53 1.01 -0.87 -5.07 116.67 117.84 1jd4 s ASP 277 Ca 0.04 0.47 -0.01 0.00 0.71 0.00 0.00 52.55 53.76 1jd4 s ASP 277 Cb 0.02 -2.14 -0.01 0.00 1.01 0.00 0.00 42.92 41.80 1jd4 s ASP 277 CO 0.02 0.23 -0.12 -1.61 0.21 0.00 0.00 175.17 173.90 1jd4 s GLU 278 N -0.11 3.40 0.14 8.23 2.02 -1.26 -4.84 118.70 126.28 1jd4 s GLU 278 Ca 0.14 -0.67 -0.27 0.00 0.02 0.00 0.00 54.97 54.19 1jd4 s GLU 278 Cb -0.13 -2.68 -0.02 0.00 0.10 0.00 0.00 34.13 31.41 1jd4 s GLU 278 CO 0.03 0.18 1.58 -1.35 0.02 0.00 0.00 175.26 175.73 1jd4 h PRO 279 N 6.81 -0.38 -0.76 0.39 0.11 -1.97 -0.90 132.00 135.30 1jd4 h PRO 279 Ca -0.27 0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.98 1jd4 h PRO 279 Cb 1.21 0.09 -0.08 0.00 0.11 0.00 0.00 31.00 32.32 1jd4 h PRO 279 CO 0.57 -0.25 0.37 -1.49 -0.21 0.00 0.00 178.00 176.99 1jd4 h TRP 280 N -0.39 0.66 -0.21 0.65 -0.00 -1.92 0.30 115.95 115.04 1jd4 h TRP 280 Ca 0.11 0.03 -0.02 0.00 -0.00 0.00 0.00 58.89 59.01 1jd4 h TRP 280 Cb 0.60 -0.18 -0.01 0.00 -0.00 0.00 0.00 29.16 29.57 1jd4 h TRP 280 CO -0.55 0.20 0.06 1.49 -0.00 0.00 0.00 178.44 179.64 1jd4 h GLU 281 N 0.60 0.34 -0.83 0.49 4.81 -1.91 0.21 114.58 118.28 1jd4 h GLU 281 Ca 0.39 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.52 1jd4 h GLU 281 Cb 0.47 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 1jd4 h GLU 281 CO -0.31 0.45 0.44 1.96 -0.73 0.00 0.00 179.01 180.81 1jd4 h GLN 282 N 0.16 1.17 0.69 1.92 1.08 -0.47 0.26 115.11 119.92 1jd4 h GLN 282 Ca 0.07 -0.15 -0.03 0.00 -1.45 0.00 0.00 58.65 57.09 1jd4 h GLN 282 Cb 0.26 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 1jd4 h GLN 282 CO -0.00 0.87 -0.50 1.25 -0.95 0.00 0.00 178.83 179.50 1jd4 h HIS 283 N 1.16 -1.36 -0.95 2.96 2.76 -0.12 -1.15 115.15 118.45 1jd4 h HIS 283 Ca 0.29 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.51 1jd4 h HIS 283 Cb 0.06 0.50 -0.06 0.00 1.55 0.00 0.00 27.41 29.46 1jd4 h HIS 283 CO 0.01 -0.72 0.61 0.00 -1.30 0.00 0.00 177.93 176.53 1jd4 h ALA 284 N -1.06 1.31 0.44 5.26 0.00 -0.28 0.23 119.26 125.15 1jd4 h ALA 284 Ca -0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1jd4 h ALA 284 Cb 0.94 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1jd4 h ALA 284 CO 0.04 0.40 -0.21 1.25 0.00 0.00 0.00 179.25 180.73 1jd4 h LEU 285 N 1.12 -0.51 0.08 0.00 6.46 -0.21 -3.05 115.31 119.21 1jd4 h LEU 285 Ca 0.41 -0.07 -0.33 0.00 -0.12 0.00 0.00 57.88 57.77 1jd4 h LEU 285 Cb 0.14 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.17 1jd4 h LEU 285 CO -0.16 -0.23 -1.84 -0.50 -0.62 0.00 0.00 178.44 175.09 1jd4 h TRP 286 N -0.78 0.33 -2.03 1.25 4.06 -1.18 -3.39 115.95 114.22 1jd4 h TRP 286 Ca -0.06 -0.24 -0.71 0.00 2.06 0.00 0.00 58.89 59.94 1jd4 h TRP 286 Cb 0.54 -0.01 -0.33 0.00 -1.00 0.00 0.00 29.16 28.36 1jd4 h TRP 286 CO -0.01 1.48 0.36 1.28 -3.56 0.00 0.00 178.44 177.99 1jd4 n LEU 287 N -3.34 6.32 0.24 -4.49 4.77 0.78 -4.83 117.00 116.45 1jd4 n LEU 287 Ca -0.25 -5.24 0.14 0.00 -0.03 0.00 0.00 56.01 50.63 1jd4 n LEU 287 Cb 1.05 -0.87 0.79 0.00 -2.33 0.00 0.00 43.42 42.05 1jd4 n LEU 287 CO 0.45 2.06 1.12 0.77 -1.33 0.00 0.00 177.39 180.46 1jd4 h SER 288 N 3.26 0.00 -0.23 -1.43 4.64 -1.62 -2.39 113.55 115.78 1jd4 h SER 288 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1jd4 h SER 288 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1jd4 h SER 288 CO 1.12 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 177.08 1jd4 n GLN 289 N -4.10 1.56 -2.36 4.77 1.13 -1.26 -4.90 117.38 112.22 1jd4 n GLN 289 Ca -0.01 -0.87 -0.43 0.00 -1.94 0.00 0.00 57.00 53.75 1jd4 n GLN 289 Cb 0.19 -1.22 -0.02 0.00 0.11 0.00 0.00 30.24 29.30 1jd4 n GLN 289 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jd4 h ARG 291 N 9.20 0.00 -0.14 0.00 -0.00 -1.91 -2.56 114.38 118.98 1jd4 h ARG 291 Ca -0.28 0.00 -0.09 0.00 -0.50 0.00 0.00 59.98 59.11 1jd4 h ARG 291 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.08 1jd4 h ARG 291 CO 1.01 0.00 -0.26 0.35 0.00 0.00 0.00 179.97 181.07 1jd4 h PHE 292 N 0.00 0.52 0.17 3.04 3.57 -1.97 -1.66 116.94 120.62 1jd4 h PHE 292 Ca 0.00 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 1jd4 h PHE 292 Cb 0.25 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1jd4 h PHE 292 CO 0.00 0.88 -0.08 0.28 -2.23 0.00 0.00 178.31 177.16 1jd4 h VAL 293 N 0.01 0.84 -0.88 1.41 2.07 -1.85 -1.02 116.25 116.83 1jd4 h VAL 293 Ca 0.01 -0.04 0.14 0.00 0.82 0.00 0.00 66.70 67.63 1jd4 h VAL 293 Cb 0.84 0.87 -0.09 0.00 -1.52 0.00 0.00 31.29 31.39 1jd4 h VAL 293 CO 0.06 0.01 0.49 0.11 0.02 0.00 0.00 177.57 178.25 1jd4 h LYS 294 N -0.25 0.69 0.00 1.57 1.57 -1.50 0.78 116.57 119.43 1jd4 h LYS 294 Ca -0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1jd4 h LYS 294 Cb 0.19 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1jd4 h LYS 294 CO 0.04 0.46 0.00 1.28 -0.57 0.00 0.00 179.45 180.66 1jd4 n LEU 295 N -4.81 0.69 -0.12 2.94 4.32 -0.63 -1.17 117.00 118.22 1jd4 n LEU 295 Ca 0.18 0.57 -0.25 0.00 -0.02 0.00 0.00 56.01 56.49 1jd4 n LEU 295 Cb 0.42 -0.35 -0.08 0.00 -1.62 0.00 0.00 43.42 41.78 1jd4 n LEU 295 CO 0.23 -0.16 -1.26 0.23 -1.22 0.00 0.00 177.39 175.20 1jd4 n MET 296 N -2.15 0.55 -0.05 3.23 2.81 -0.18 -4.76 117.12 116.57 1jd4 n MET 296 Ca 0.06 0.24 -0.12 0.00 -1.81 0.00 0.00 57.70 56.06 1jd4 n MET 296 Cb 0.41 -1.43 -0.14 0.00 -0.71 0.00 0.00 33.22 31.35 1jd4 n MET 296 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1jd4 n LYS 297 N -4.23 0.67 0.00 0.03 4.76 0.25 -5.09 118.16 114.56 1jd4 n LYS 297 Ca -0.45 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.17 1jd4 n LYS 297 Cb 0.80 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 32.32 1jd4 n LYS 297 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jd4 n GLY 298 N 1.77 1.55 0.26 0.72 0.00 -0.32 -4.41 105.19 104.76 1jd4 n GLY 298 Ca -0.28 -1.74 0.10 0.00 0.00 0.00 0.00 46.02 44.11 1jd4 n GLY 298 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1jd4 h GLN 299 N 0.00 0.00 0.03 1.61 5.75 -1.89 -2.72 115.11 117.90 1jd4 h GLN 299 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1jd4 h GLN 299 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1jd4 h GLN 299 CO 0.00 0.06 -0.02 -0.07 -2.65 0.00 0.00 178.83 176.15 1jd4 h LEU 300 N 0.00 -0.04 -0.43 -2.39 3.38 -1.96 -0.19 115.31 113.69 1jd4 h LEU 300 Ca -0.00 -0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.02 1jd4 h LEU 300 Cb 0.12 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 40.79 1jd4 h LEU 300 CO 0.01 0.01 -0.16 0.22 0.09 0.00 0.00 178.44 178.61 1jd4 h TYR 301 N -0.09 -0.39 -0.41 1.13 3.20 -1.69 0.39 116.97 119.11 1jd4 h TYR 301 Ca -0.00 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.96 1jd4 h TYR 301 Cb 0.07 0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.53 1jd4 h TYR 301 CO -0.06 -0.25 0.13 0.82 -1.64 0.00 0.00 178.16 177.16 1jd4 h ILE 302 N -0.07 0.85 -0.41 1.81 2.04 -1.42 0.14 117.51 120.45 1jd4 h ILE 302 Ca 0.21 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 66.00 1jd4 h ILE 302 Cb 0.39 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1jd4 h ILE 302 CO -0.48 0.05 0.22 0.44 0.00 0.00 0.00 178.15 178.38 1jd4 h ASP 303 N 0.28 0.34 0.59 1.72 3.32 0.85 0.86 116.42 124.38 1jd4 h ASP 303 Ca 0.19 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1jd4 h ASP 303 Cb 0.20 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1jd4 h ASP 303 CO -0.21 0.24 -0.39 0.74 -1.72 0.00 0.00 179.24 177.90 1jd4 h THR 304 N 0.44 0.22 -0.76 0.35 2.02 0.48 -1.09 112.91 114.57 1jd4 h THR 304 Ca 0.17 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.44 1jd4 h THR 304 Cb 0.05 0.22 -0.07 0.00 -1.74 0.00 0.00 68.15 66.60 1jd4 h THR 304 CO -0.10 0.00 0.41 0.58 0.37 0.00 0.00 175.52 176.78 1jd4 h VAL 305 N -0.93 0.87 0.00 3.16 2.07 -0.57 0.10 116.25 120.95 1jd4 h VAL 305 Ca -0.07 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1jd4 h VAL 305 Cb 0.76 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1jd4 h VAL 305 CO 0.05 0.12 -0.05 0.00 0.02 0.00 0.00 177.57 177.72 1jd4 h ALA 306 N 1.44 1.35 0.05 1.67 0.00 -0.38 -2.88 119.26 120.50 1jd4 h ALA 306 Ca 0.37 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.91 1jd4 h ALA 306 Cb 0.37 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1jd4 h ALA 306 CO -0.26 0.06 -1.92 0.00 0.00 0.00 0.00 179.25 177.13 1jd4 n ALA 307 N -2.27 1.27 -1.47 0.00 0.00 0.16 -4.98 120.51 113.22 1jd4 n ALA 307 Ca -0.02 -0.78 -0.53 0.00 0.00 0.00 0.00 53.44 52.11 1jd4 n ALA 307 Cb 0.15 -0.68 -0.05 0.00 0.00 0.00 0.00 19.45 18.86 1jd4 n ALA 307 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jd4 n LYS 308 N -3.19 0.17 0.23 0.00 5.02 -0.09 -4.93 118.16 115.38 1jd4 n LYS 308 Ca -0.26 0.06 -0.09 0.00 -2.02 0.00 0.00 58.31 56.00 1jd4 n LYS 308 Cb 1.06 -1.36 -0.04 0.00 -0.02 0.00 0.00 35.03 34.66 1jd4 n LYS 308 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1jd4 h PRO 309 N 2.27 -0.58 0.00 1.97 0.13 -1.92 -3.50 132.00 130.37 1jd4 h PRO 309 Ca -0.41 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1jd4 h PRO 309 Cb 1.42 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.68 1jd4 h PRO 309 CO 0.63 -0.39 0.00 1.55 -0.23 0.00 0.00 178.00 179.56