#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcz h GLY 225 N 0.00 0.73 0.76 -0.72 0.00 -2.05 0.45 103.07 102.24 3kcz h GLY 225 Ca 0.00 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 3kcz h GLY 225 CO 0.00 0.32 -0.15 -0.91 0.00 0.00 0.00 176.54 175.80 3kcz h THR 226 N 0.64 1.34 -0.74 4.70 1.35 -2.06 -2.81 112.91 115.33 3kcz h THR 226 Ca 0.17 -1.31 0.14 0.00 -0.55 0.00 0.00 66.41 64.86 3kcz h THR 226 Cb 0.06 1.84 -0.05 0.00 -1.73 0.00 0.00 68.15 68.27 3kcz h THR 226 CO -0.03 0.39 0.49 -0.33 -0.25 0.00 0.00 175.52 175.80 3kcz h GLU 227 N 0.02 0.45 -0.55 4.72 4.39 -1.98 -0.79 114.58 120.84 3kcz h GLU 227 Ca 0.03 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3kcz h GLU 227 Cb 0.68 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 3kcz h GLU 227 CO 0.04 0.30 0.19 -0.97 -1.16 0.00 0.00 179.01 177.41 3kcz h ASN 228 N 0.46 0.79 -0.39 1.42 -0.73 -0.71 -2.74 115.58 113.69 3kcz h ASN 228 Ca 0.36 -0.19 -0.08 0.00 1.87 0.00 0.00 56.30 58.25 3kcz h ASN 228 Cb 0.76 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 39.13 3kcz h ASN 228 CO -0.12 0.77 -0.09 -0.07 -0.37 0.00 0.00 177.43 177.55 3kcz h LEU 229 N 0.76 0.75 -0.24 0.34 3.38 -0.91 0.15 115.31 119.53 3kcz h LEU 229 Ca 0.18 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 3kcz h LEU 229 Cb 0.25 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3kcz h LEU 229 CO -0.01 0.93 0.01 1.88 0.09 0.00 0.00 178.44 181.34 3kcz h TYR 230 N 0.55 0.46 0.00 1.13 0.05 -1.43 -2.69 116.97 115.05 3kcz h TYR 230 Ca 0.10 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.80 3kcz h TYR 230 Cb 0.60 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.22 3kcz h TYR 230 CO 0.05 0.59 0.00 1.19 -1.05 0.00 0.00 178.16 178.93 3kcz n PHE 231 N -4.65 0.56 -4.14 4.88 3.72 -1.03 -4.91 117.46 111.89 3kcz n PHE 231 Ca -0.04 0.18 -0.32 0.00 -0.05 0.00 0.00 57.45 57.22 3kcz n PHE 231 Cb 0.23 -0.79 -0.03 0.00 -0.94 0.00 0.00 39.48 37.95 3kcz n PHE 231 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3kcz n GLN 232 N -1.97 -2.97 -0.98 -1.08 6.02 0.51 -4.97 117.38 111.94 3kcz n GLN 232 Ca 0.05 0.35 -0.29 0.00 -0.01 0.00 0.00 57.00 57.10 3kcz n GLN 232 Cb 0.34 -4.74 0.18 0.00 1.02 0.00 0.00 30.24 27.04 3kcz n GLN 232 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3kcz s SER 233 N -3.79 2.59 0.22 1.08 0.01 -1.03 -4.98 113.70 107.79 3kcz s SER 233 Ca 0.40 1.49 -0.28 0.00 1.31 0.00 0.00 55.95 58.88 3kcz s SER 233 Cb -0.22 -2.16 -0.17 0.00 0.21 0.00 0.00 66.02 63.68 3kcz s SER 233 CO 0.92 -3.20 0.53 0.80 0.41 0.00 0.00 173.24 172.71 3kcz n MET 234 N -4.25 0.09 -1.62 12.44 1.56 -1.26 -4.85 117.12 119.23 3kcz n MET 234 Ca 0.06 0.03 -0.47 0.00 -0.27 0.00 0.00 57.70 57.05 3kcz n MET 234 Cb 0.55 -1.06 -0.03 0.00 2.15 0.00 0.00 33.22 34.83 3kcz n MET 234 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 3kcz n ASP 235 N 1.96 1.97 -0.12 6.12 -0.08 -1.26 -4.74 116.55 120.40 3kcz n ASP 235 Ca 0.17 1.14 0.11 0.00 -1.51 0.00 0.00 54.79 54.71 3kcz n ASP 235 Cb 0.26 -1.31 0.47 0.00 2.34 0.00 0.00 41.12 42.88 3kcz n ASP 235 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3kcz h LEU 236 N 3.69 0.44 -0.40 -2.67 3.38 -1.99 -0.60 115.31 117.17 3kcz h LEU 236 Ca -0.44 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.42 3kcz h LEU 236 Cb 1.31 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 3kcz h LEU 236 CO 0.72 0.26 -0.24 0.03 0.09 0.00 0.00 178.44 179.31 3kcz h ARG 237 N 0.49 0.87 -0.62 1.13 3.08 -2.00 -1.40 114.38 115.93 3kcz h ARG 237 Ca 0.31 -0.40 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 3kcz h ARG 237 Cb 0.54 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 3kcz h ARG 237 CO -0.10 1.05 0.04 0.28 -1.07 0.00 0.00 179.97 180.17 3kcz h VAL 238 N 0.68 1.26 -0.64 2.04 2.07 -1.66 -1.77 116.25 118.23 3kcz h VAL 238 Ca 0.08 -1.10 0.05 0.00 0.82 0.00 0.00 66.70 66.55 3kcz h VAL 238 Cb 0.81 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 3kcz h VAL 238 CO 0.07 0.40 0.37 1.56 0.02 0.00 0.00 177.57 179.99 3kcz h GLN 239 N 0.98 0.68 -0.43 1.57 4.20 -0.84 -0.09 115.11 121.18 3kcz h GLN 239 Ca 0.18 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.76 3kcz h GLN 239 Cb 0.50 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 3kcz h GLN 239 CO 0.02 0.45 -0.10 0.93 -0.67 0.00 0.00 178.83 179.47 3kcz h GLU 240 N 0.70 0.77 0.03 1.46 4.39 -1.03 -0.71 114.58 120.19 3kcz h GLU 240 Ca 0.28 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 3kcz h GLU 240 Cb 0.12 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3kcz h GLU 240 CO -0.15 0.84 -0.01 1.25 -1.16 0.00 0.00 179.01 179.77 3kcz h LEU 241 N 0.70 -0.03 -0.61 1.33 5.85 -0.70 -1.95 115.31 119.89 3kcz h LEU 241 Ca 0.12 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3kcz h LEU 241 Cb 0.57 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 3kcz h LEU 241 CO 0.03 0.19 0.40 0.40 -0.34 0.00 0.00 178.44 179.12 3kcz h ILE 242 N -0.25 1.16 -0.64 4.05 1.08 -0.95 -1.64 117.51 120.33 3kcz h ILE 242 Ca -0.00 -0.31 0.02 0.00 -0.39 0.00 0.00 64.86 64.17 3kcz h ILE 242 Cb 0.23 0.28 -0.04 0.00 -3.07 0.00 0.00 36.82 34.22 3kcz h ILE 242 CO 0.01 0.16 0.41 0.11 -0.69 0.00 0.00 178.15 178.15 3kcz h LYS 243 N 0.83 0.81 0.08 2.37 1.57 -1.11 -1.02 116.57 120.10 3kcz h LYS 243 Ca 0.22 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3kcz h LYS 243 Cb -0.08 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.05 3kcz h LYS 243 CO -0.05 0.54 -0.04 1.25 -0.57 0.00 0.00 179.45 180.58 3kcz h LEU 244 N 0.83 -0.09 -0.62 2.94 5.85 -1.04 -2.76 115.31 120.42 3kcz h LEU 244 Ca 0.24 -0.16 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 3kcz h LEU 244 Cb -0.05 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3kcz h LEU 244 CO -0.07 0.11 -0.52 0.16 -0.34 0.00 0.00 178.44 177.78 3kcz h ILE 245 N -0.29 1.08 -0.16 4.05 3.07 -1.21 -3.08 117.51 120.97 3kcz h ILE 245 Ca -0.01 -1.99 0.00 0.00 1.55 0.00 0.00 64.86 64.41 3kcz h ILE 245 Cb 0.25 2.17 0.00 0.00 -0.27 0.00 0.00 36.82 38.97 3kcz h ILE 245 CO 0.02 0.51 0.00 0.00 -1.05 0.00 0.00 178.15 177.63 3kcz s ASN 247 N -1.57 5.80 0.12 0.00 3.84 -1.04 -4.87 114.94 117.23 3kcz s ASN 247 Ca 0.32 1.00 -0.02 0.00 0.21 0.00 0.00 52.86 54.37 3kcz s ASN 247 Cb 0.17 -2.53 -0.12 0.00 -0.55 0.00 0.00 41.25 38.22 3kcz s ASN 247 CO 0.26 -1.83 1.28 0.58 -2.79 0.00 0.00 177.10 174.60 3kcz h VAL 248 N 6.78 1.47 -0.60 -5.21 2.07 -1.91 -2.87 116.25 115.98 3kcz h VAL 248 Ca -0.31 -2.71 0.06 0.00 0.82 0.00 0.00 66.70 64.57 3kcz h VAL 248 Cb 1.16 2.60 -0.04 0.00 -1.52 0.00 0.00 31.29 33.49 3kcz h VAL 248 CO 1.08 0.80 0.40 -0.61 0.02 0.00 0.00 177.57 179.26 3kcz h GLN 249 N 0.14 0.54 -0.06 1.57 5.75 -2.00 -0.86 115.11 120.19 3kcz h GLN 249 Ca -0.08 -0.03 -0.16 0.00 -0.15 0.00 0.00 58.65 58.23 3kcz h GLN 249 Cb 1.67 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 30.09 3kcz h GLN 249 CO 0.16 0.36 -0.65 0.00 -2.65 0.00 0.00 178.83 176.06 3kcz h ALA 250 N 1.68 0.78 -0.53 3.38 0.00 -1.92 -2.00 119.26 120.65 3kcz h ALA 250 Ca 0.26 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 3kcz h ALA 250 Cb 0.30 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3kcz h ALA 250 CO -0.08 0.75 0.09 0.52 0.00 0.00 0.00 179.25 180.53 3kcz h MET 251 N 0.18 0.88 -0.03 0.00 2.86 -1.10 -0.47 114.93 117.25 3kcz h MET 251 Ca -0.01 -0.24 0.03 0.00 -2.06 0.00 0.00 59.70 57.42 3kcz h MET 251 Cb 1.17 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.69 3kcz h MET 251 CO 0.10 0.86 -0.14 1.49 1.06 0.00 0.00 176.91 180.28 3kcz h GLU 252 N 0.77 -0.21 -0.77 1.72 4.57 -1.05 -0.48 114.58 119.12 3kcz h GLU 252 Ca 0.16 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 3kcz h GLU 252 Cb 0.41 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.01 3kcz h GLU 252 CO 0.01 -0.14 0.36 0.93 -1.18 0.00 0.00 179.01 178.98 3kcz h GLU 253 N -0.22 1.12 -0.59 1.92 5.08 -1.26 -1.18 114.58 119.45 3kcz h GLU 253 Ca 0.06 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3kcz h GLU 253 Cb 0.30 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3kcz h GLU 253 CO -0.16 0.88 0.26 0.52 -1.00 0.00 0.00 179.01 179.51 3kcz h MET 254 N 1.10 0.86 -0.33 2.33 2.86 -0.80 -1.75 114.93 119.20 3kcz h MET 254 Ca 0.26 -0.14 -0.16 0.00 -2.06 0.00 0.00 59.70 57.60 3kcz h MET 254 Cb 0.14 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3kcz h MET 254 CO -0.03 0.72 -0.42 0.52 1.06 0.00 0.00 176.91 178.76 3kcz h MET 255 N 0.81 0.82 -0.81 1.72 2.86 -0.82 -2.44 114.93 117.07 3kcz h MET 255 Ca 0.20 -0.45 0.04 0.00 -2.06 0.00 0.00 59.70 57.43 3kcz h MET 255 Cb 0.16 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.79 3kcz h MET 255 CO -0.02 1.08 0.51 0.52 1.06 0.00 0.00 176.91 180.06 3kcz h MET 256 N 0.67 0.95 -0.44 1.72 2.07 -1.04 -1.12 114.93 117.73 3kcz h MET 256 Ca 0.05 -0.06 0.06 0.00 -2.07 0.00 0.00 59.70 57.68 3kcz h MET 256 Cb 1.00 -0.21 -0.02 0.00 -1.87 0.00 0.00 31.60 30.49 3kcz h MET 256 CO 0.10 0.63 0.30 0.93 1.07 0.00 0.00 176.91 179.93 3kcz h GLU 257 N 0.98 0.34 -0.09 1.72 4.39 -1.11 0.66 114.58 121.48 3kcz h GLU 257 Ca 0.33 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.01 3kcz h GLU 257 Cb 0.05 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3kcz h GLU 257 CO -0.13 0.22 0.00 -1.33 -1.16 0.00 0.00 179.01 176.62 3kcz n MET 258 N -4.47 1.36 -0.90 2.33 2.81 -0.50 -4.91 117.12 112.84 3kcz n MET 258 Ca 0.06 -0.55 0.00 0.00 -1.81 0.00 0.00 57.70 55.40 3kcz n MET 258 Cb 0.25 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 3kcz n MET 258 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3kcz n LYS 259 N -0.22 0.00 -2.46 0.03 4.76 0.23 -5.03 118.16 115.46 3kcz n LYS 259 Ca 0.15 0.04 -0.41 0.00 -2.87 0.00 0.00 58.31 55.21 3kcz n LYS 259 Cb 0.19 -2.78 -0.04 0.00 -1.84 0.00 0.00 35.03 30.57 3kcz n LYS 259 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3kcz s TYR 260 N -2.00 3.53 -1.07 2.13 5.04 -0.75 0.16 117.35 124.39 3kcz s TYR 260 Ca 0.00 1.55 -0.17 0.00 -2.44 0.00 0.00 57.07 56.02 3kcz s TYR 260 Cb 0.00 -3.33 0.14 0.00 0.35 0.00 0.00 41.96 39.12 3kcz s TYR 260 CO 0.00 -0.80 1.30 1.21 -1.34 0.00 0.00 175.55 175.92 3kcz s ASN 261 N -0.13 6.83 0.39 4.32 3.84 -0.02 -4.13 114.94 126.04 3kcz s ASN 261 Ca 0.50 -2.45 0.28 0.00 0.21 0.00 0.00 52.86 51.40 3kcz s ASN 261 Cb -0.31 -2.42 1.25 0.00 -0.55 0.00 0.00 41.25 39.23 3kcz s ASN 261 CO 0.36 -0.95 1.85 0.71 -2.79 0.00 0.00 177.10 176.29 3kcz h THR 262 N 5.35 0.00 0.05 -5.21 1.35 -1.87 -2.07 112.91 110.50 3kcz h THR 262 Ca 0.24 -0.28 -0.12 0.00 -0.55 0.00 0.00 66.41 65.70 3kcz h THR 262 Cb 0.95 1.09 0.01 0.00 -1.73 0.00 0.00 68.15 68.47 3kcz h THR 262 CO 1.20 0.00 -0.51 0.11 -0.25 0.00 0.00 175.52 176.07 3kcz h LYS 263 N 0.00 0.26 -0.11 4.72 1.79 -1.99 -2.93 116.57 118.32 3kcz h LYS 263 Ca 0.00 -0.34 -0.13 0.00 -2.18 0.00 0.00 60.65 57.99 3kcz h LYS 263 Cb 0.34 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 3kcz h LYS 263 CO 0.00 1.09 -0.51 -0.22 -1.08 0.00 0.00 179.45 178.73 3kcz h LYS 264 N -0.40 0.29 -2.44 3.15 3.64 -1.93 -3.38 116.57 115.49 3kcz h LYS 264 Ca -0.08 -0.17 -0.59 0.00 -1.27 0.00 0.00 60.65 58.55 3kcz h LYS 264 Cb 1.30 0.01 -0.38 0.00 -0.41 0.00 0.00 32.23 32.75 3kcz h LYS 264 CO 0.10 0.73 -0.93 0.00 -2.27 0.00 0.00 179.45 177.08 3kcz s ALA 265 N -3.96 1.28 0.44 5.00 0.00 -0.80 -5.11 121.76 118.61 3kcz s ALA 265 Ca -0.05 -2.28 -0.25 0.00 0.00 0.00 0.00 51.96 49.39 3kcz s ALA 265 Cb 0.12 -1.60 -0.09 0.00 0.00 0.00 0.00 23.12 21.55 3kcz s ALA 265 CO 0.79 -2.02 1.22 -2.30 0.00 0.00 0.00 175.76 173.46 3kcz n PRO 266 N 3.22 1.78 0.06 0.00 -0.02 -1.10 -4.51 135.00 134.42 3kcz n PRO 266 Ca 0.24 0.63 0.06 0.00 -2.02 0.00 0.00 63.50 62.41 3kcz n PRO 266 Cb 0.44 -2.33 0.49 0.00 -0.02 0.00 0.00 33.50 32.08 3kcz n PRO 266 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3kcz h LEU 267 N 1.89 0.34 -1.67 2.45 3.38 -1.95 -1.87 115.31 117.87 3kcz h LEU 267 Ca -0.47 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3kcz h LEU 267 Cb 1.31 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3kcz h LEU 267 CO 0.59 0.24 0.00 1.23 0.09 0.00 0.00 178.44 180.59 3kcz h GLY 268 N 0.40 0.00 -0.39 0.83 0.00 -1.97 -2.32 103.07 99.61 3kcz h GLY 268 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3kcz h GLY 268 CO -0.03 0.00 -0.37 0.28 0.00 0.00 0.00 176.54 176.42 3kcz n LYS 269 N -2.47 2.23 -1.67 4.80 5.02 -0.71 -5.00 118.16 120.36 3kcz n LYS 269 Ca -0.01 -0.47 -0.47 0.00 -2.02 0.00 0.00 58.31 55.34 3kcz n LYS 269 Cb 0.08 -1.15 -0.04 0.00 -0.02 0.00 0.00 35.03 33.90 3kcz n LYS 269 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3kcz n LEU 270 N -0.56 3.04 -4.46 -0.35 7.94 -0.87 -5.01 117.00 116.72 3kcz n LEU 270 Ca 0.04 1.07 -0.25 0.00 -1.11 0.00 0.00 56.01 55.77 3kcz n LEU 270 Cb 0.25 -1.40 -0.10 0.00 0.53 0.00 0.00 43.42 42.69 3kcz n LEU 270 CO 0.19 -0.31 -0.49 0.42 -1.11 0.00 0.00 177.39 176.09 3kcz s THR 271 N 1.27 2.49 0.41 1.96 -4.23 -1.26 -4.93 115.64 111.35 3kcz s THR 271 Ca 0.81 -2.25 0.08 0.00 -1.18 0.00 0.00 61.69 59.16 3kcz s THR 271 Cb -0.70 -2.27 0.23 0.00 1.34 0.00 0.00 72.50 71.10 3kcz s THR 271 CO 0.40 -0.30 2.02 -0.37 -0.54 0.00 0.00 174.62 175.83 3kcz h VAL 272 N 2.58 1.12 -0.57 2.29 -1.51 -1.98 -2.05 116.25 116.12 3kcz h VAL 272 Ca -0.42 -0.37 -0.07 0.00 -1.23 0.00 0.00 66.70 64.60 3kcz h VAL 272 Cb 1.24 0.79 -0.02 0.00 -2.13 0.00 0.00 31.29 31.17 3kcz h VAL 272 CO 0.56 0.14 0.08 0.00 -1.23 0.00 0.00 177.57 177.12 3kcz h ALA 273 N 1.72 0.76 -0.74 5.19 0.00 -1.99 -0.11 119.26 124.10 3kcz h ALA 273 Ca 0.10 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.79 3kcz h ALA 273 Cb 0.09 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 3kcz h ALA 273 CO -0.01 0.51 0.46 1.96 0.00 0.00 0.00 179.25 182.18 3kcz h GLN 274 N 0.85 0.86 -0.39 0.00 4.20 -1.80 -0.80 115.11 118.03 3kcz h GLN 274 Ca 0.17 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.71 3kcz h GLN 274 Cb 0.43 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 3kcz h GLN 274 CO 0.01 0.57 -0.23 0.82 -0.67 0.00 0.00 178.83 179.33 3kcz h ILE 275 N 0.88 1.28 -0.81 2.54 2.04 -1.16 -1.44 117.51 120.84 3kcz h ILE 275 Ca 0.31 -1.38 -0.04 0.00 1.00 0.00 0.00 64.86 64.74 3kcz h ILE 275 Cb 0.06 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 3kcz h ILE 275 CO -0.13 0.46 0.33 0.50 0.00 0.00 0.00 178.15 179.32 3kcz h LYS 276 N 0.65 1.19 -0.88 2.37 3.64 -0.68 -1.72 116.57 121.14 3kcz h LYS 276 Ca 0.08 -0.21 0.02 0.00 -1.27 0.00 0.00 60.65 59.27 3kcz h LYS 276 Cb 0.80 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.37 3kcz h LYS 276 CO 0.07 0.96 0.58 0.00 -2.27 0.00 0.00 179.45 178.78 3kcz h ALA 277 N 1.19 1.40 -0.14 5.00 0.00 -0.86 -1.37 119.26 124.48 3kcz h ALA 277 Ca 0.27 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3kcz h ALA 277 Cb 0.20 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kcz h ALA 277 CO -0.02 0.53 0.06 0.78 0.00 0.00 0.00 179.25 180.60 3kcz h GLY 278 N 1.15 0.18 0.99 0.00 0.00 -0.42 -1.59 103.07 103.38 3kcz h GLY 278 Ca 0.34 -0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.64 3kcz h GLY 278 CO -0.09 0.03 0.62 -0.97 0.00 0.00 0.00 176.54 176.14 3kcz h TYR 279 N 0.14 1.18 -0.98 5.60 0.05 -0.90 -1.56 116.97 120.50 3kcz h TYR 279 Ca 0.06 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.90 3kcz h TYR 279 Cb 0.02 -0.40 -0.06 0.00 1.01 0.00 0.00 36.73 37.31 3kcz h TYR 279 CO -0.10 0.73 0.65 1.96 -1.05 0.00 0.00 178.16 180.35 3kcz h GLN 280 N 1.26 1.23 -0.22 4.88 4.20 -0.86 -0.38 115.11 125.23 3kcz h GLN 280 Ca 0.35 -0.07 -0.14 0.00 0.06 0.00 0.00 58.65 58.85 3kcz h GLN 280 Cb -0.12 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.37 3kcz h GLN 280 CO -0.08 0.82 -0.43 0.77 -0.67 0.00 0.00 178.83 179.23 3kcz h SER 281 N 1.27 0.57 -0.66 1.46 0.02 -0.72 -1.98 113.55 113.52 3kcz h SER 281 Ca 0.38 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3kcz h SER 281 Cb -0.04 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 3kcz h SER 281 CO -0.11 0.93 0.38 -0.07 -1.14 0.00 0.00 176.83 176.82 3kcz h LEU 282 N 0.44 0.82 -0.84 5.07 3.38 -0.75 -1.02 115.31 122.41 3kcz h LEU 282 Ca 0.03 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3kcz h LEU 282 Cb 0.93 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 3kcz h LEU 282 CO 0.08 0.65 0.16 0.50 0.09 0.00 0.00 178.44 179.92 3kcz h LYS 283 N 0.93 1.02 -0.75 1.13 1.63 -0.68 -0.36 116.57 119.49 3kcz h LYS 283 Ca 0.24 -0.23 -0.06 0.00 -0.85 0.00 0.00 60.65 59.75 3kcz h LYS 283 Cb 0.00 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.46 3kcz h LYS 283 CO -0.04 0.91 0.24 0.87 -3.45 0.00 0.00 179.45 177.97 3kcz h LYS 284 N 0.97 1.16 -0.22 1.90 1.57 -0.86 0.16 116.57 121.24 3kcz h LYS 284 Ca 0.21 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3kcz h LYS 284 Cb 0.35 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3kcz h LYS 284 CO 0.00 0.98 0.14 0.82 -0.57 0.00 0.00 179.45 180.83 3kcz h ILE 285 N 1.11 1.06 -0.65 1.86 2.04 -0.85 -1.69 117.51 120.39 3kcz h ILE 285 Ca 0.24 -0.13 0.07 0.00 1.00 0.00 0.00 64.86 66.04 3kcz h ILE 285 Cb 0.30 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 3kcz h ILE 285 CO -0.01 0.06 0.34 -0.08 0.00 0.00 0.00 178.15 178.46 3kcz h GLU 286 N 0.29 0.59 -0.53 2.37 4.81 -0.59 -1.36 114.58 120.16 3kcz h GLU 286 Ca 0.08 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 3kcz h GLU 286 Cb -0.02 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.17 3kcz h GLU 286 CO -0.02 0.39 0.25 -0.44 -0.73 0.00 0.00 179.01 178.46 3kcz h ASP 287 N 0.61 0.33 -0.54 1.04 3.32 -0.62 -0.26 116.42 120.30 3kcz h ASP 287 Ca 0.30 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.40 3kcz h ASP 287 Cb 0.25 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 3kcz h ASP 287 CO -0.22 0.22 0.35 0.00 -1.72 0.00 0.00 179.24 177.88 3kcz h ILE 289 N 0.72 1.14 -0.83 0.00 2.04 -0.95 0.69 117.51 120.32 3kcz h ILE 289 Ca 0.20 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.69 3kcz h ILE 289 Cb -0.07 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 3kcz h ILE 289 CO -0.05 0.14 0.54 -0.09 0.00 0.00 0.00 178.15 178.69 3kcz h ARG 290 N 0.22 0.93 -0.01 2.37 2.43 -0.71 -1.93 114.38 117.68 3kcz h ARG 290 Ca 0.08 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3kcz h ARG 290 Cb 0.13 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3kcz h ARG 290 CO -0.01 0.61 -0.08 0.00 -1.51 0.00 0.00 179.97 178.98 3kcz n ALA 291 N -2.42 2.75 -2.65 2.80 0.00 -0.46 -4.95 120.51 115.58 3kcz n ALA 291 Ca 0.12 -0.38 -0.05 0.00 0.00 0.00 0.00 53.44 53.13 3kcz n ALA 291 Cb 0.17 -1.23 0.02 0.00 0.00 0.00 0.00 19.45 18.41 3kcz n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kcz n GLY 292 N 1.22 0.55 3.17 0.00 0.00 -0.53 -5.02 105.19 104.58 3kcz n GLY 292 Ca 0.17 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 3kcz n GLY 292 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kcz s GLN 293 N -5.08 2.24 0.00 1.61 -0.21 0.12 -4.92 119.66 113.42 3kcz s GLN 293 Ca 0.10 -1.63 0.02 0.00 0.02 0.00 0.00 55.36 53.87 3kcz s GLN 293 Cb -0.04 -3.57 0.03 0.00 1.00 0.00 0.00 33.01 30.43 3kcz s GLN 293 CO 0.16 -0.97 0.74 0.72 -2.12 0.00 0.00 175.29 173.83 3kcz n HIS 294 N 4.69 0.03 0.00 0.91 8.25 -1.26 -4.04 115.22 123.80 3kcz n HIS 294 Ca -0.06 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 3kcz n HIS 294 Cb 0.42 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.51 3kcz n HIS 294 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kcz n GLY 295 N -0.03 0.92 0.27 -1.41 0.00 -1.26 -4.81 105.19 98.87 3kcz n GLY 295 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 3kcz n GLY 295 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3kcz h ARG 296 N 0.00 0.85 -0.34 1.61 2.43 -1.99 -1.53 114.38 115.41 3kcz h ARG 296 Ca 0.00 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 3kcz h ARG 296 Cb 0.00 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 3kcz h ARG 296 CO 0.00 0.56 0.08 0.00 -1.51 0.00 0.00 179.97 179.10 3kcz h ALA 297 N 1.30 0.45 -0.23 2.80 0.00 -1.93 0.15 119.26 121.79 3kcz h ALA 297 Ca 0.28 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kcz h ALA 297 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3kcz h ALA 297 CO -0.11 0.13 0.13 1.25 0.00 0.00 0.00 179.25 180.66 3kcz h LEU 298 N 0.40 0.28 -1.27 0.00 5.85 -1.67 0.72 115.31 119.62 3kcz h LEU 298 Ca 0.11 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3kcz h LEU 298 Cb 0.31 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3kcz h LEU 298 CO 0.00 0.26 0.11 0.00 -0.34 0.00 0.00 178.44 178.47 3kcz h MET 299 N 0.28 0.61 -0.31 1.25 -0.00 -1.19 0.60 114.93 116.16 3kcz h MET 299 Ca 0.08 -0.10 -0.00 0.00 -0.00 0.00 0.00 59.70 59.68 3kcz h MET 299 Cb 0.04 -0.10 -0.02 0.00 -0.00 0.00 0.00 31.60 31.52 3kcz h MET 299 CO -0.01 0.55 0.19 1.49 -0.00 0.00 0.00 176.91 179.12 3kcz h GLU 300 N 0.59 0.43 -0.21 -0.10 4.81 -0.29 -1.19 114.58 118.63 3kcz h GLU 300 Ca 0.14 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.18 3kcz h GLU 300 Cb 0.22 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3kcz h GLU 300 CO -0.00 0.33 -0.49 0.00 -0.73 0.00 0.00 179.01 178.12 3kcz h ALA 301 N 1.07 0.77 -0.28 2.92 0.00 -0.46 -2.01 119.26 121.26 3kcz h ALA 301 Ca 0.11 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 3kcz h ALA 301 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3kcz h ALA 301 CO -0.02 0.67 0.04 0.00 0.00 0.00 0.00 179.25 179.94 3kcz h ASN 303 N 0.29 0.54 -0.59 0.00 7.08 -1.02 -0.96 115.58 120.92 3kcz h ASN 303 Ca 0.09 0.04 -0.09 0.00 -3.08 0.00 0.00 56.30 53.26 3kcz h ASN 303 Cb 0.35 -0.06 -0.02 0.00 -2.08 0.00 0.00 38.32 36.51 3kcz h ASN 303 CO 0.01 0.33 0.03 -0.08 -2.08 0.00 0.00 177.43 175.64 3kcz h GLU 304 N 0.67 1.04 -0.33 4.14 4.81 -1.30 -0.27 114.58 123.34 3kcz h GLU 304 Ca 0.33 -0.31 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 3kcz h GLU 304 Cb 0.27 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 3kcz h GLU 304 CO -0.22 1.00 0.06 0.35 -0.73 0.00 0.00 179.01 179.47 3kcz h PHE 305 N 0.96 0.10 0.00 0.92 3.57 -0.99 -1.97 116.94 119.53 3kcz h PHE 305 Ca 0.18 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 3kcz h PHE 305 Cb 0.51 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 3kcz h PHE 305 CO 0.03 0.01 -0.12 1.88 -2.23 0.00 0.00 178.31 177.89 3kcz h TYR 306 N 0.17 0.00 -0.24 0.41 0.05 -0.68 0.17 116.97 116.85 3kcz h TYR 306 Ca 0.15 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.73 3kcz h TYR 306 Cb 0.17 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.92 3kcz h TYR 306 CO -0.18 0.12 -0.63 1.15 -1.05 0.00 0.00 178.16 177.57 3kcz h THR 307 N 0.00 1.27 -0.00 -2.88 2.02 -0.62 -2.97 112.91 109.73 3kcz h THR 307 Ca -0.00 -1.81 -0.24 0.00 0.77 0.00 0.00 66.41 65.13 3kcz h THR 307 Cb 0.33 1.75 0.01 0.00 -1.74 0.00 0.00 68.15 68.49 3kcz h THR 307 CO 0.02 0.59 -0.97 0.03 0.37 0.00 0.00 175.52 175.56 3kcz h ARG 308 N 0.63 0.49 -3.02 6.66 3.08 -0.47 -3.38 114.38 118.36 3kcz h ARG 308 Ca -0.01 -0.52 -0.62 0.00 0.07 0.00 0.00 59.98 58.90 3kcz h ARG 308 Cb 1.25 0.15 -0.41 0.00 0.08 0.00 0.00 29.97 31.03 3kcz h ARG 308 CO 0.14 1.16 -0.66 0.42 -1.07 0.00 0.00 179.97 179.96 3kcz s ILE 309 N -3.29 2.31 0.25 2.04 -1.09 0.47 -4.91 121.20 116.99 3kcz s ILE 309 Ca -0.07 -3.69 -0.31 0.00 -2.23 0.00 0.00 60.65 54.35 3kcz s ILE 309 Cb 0.08 -2.54 -0.12 0.00 -1.58 0.00 0.00 42.46 38.30 3kcz s ILE 309 CO 0.88 -0.99 1.59 -2.65 -1.23 0.00 0.00 174.94 172.54 3kcz n PRO 310 N 2.47 2.55 -4.30 2.79 -0.02 -1.12 -4.45 135.00 132.90 3kcz n PRO 310 Ca 0.17 0.91 -0.23 0.00 -2.02 0.00 0.00 63.50 62.33 3kcz n PRO 310 Cb 0.36 -2.68 -0.08 0.00 -0.02 0.00 0.00 33.50 31.09 3kcz n PRO 310 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3kcz s HIS 311 N 0.30 2.64 -0.47 6.00 3.76 -1.26 -0.84 115.29 125.42 3kcz s HIS 311 Ca 0.68 -0.27 -0.03 0.00 -0.15 0.00 0.00 55.06 55.30 3kcz s HIS 311 Cb -0.54 -1.24 0.13 0.00 1.11 0.00 0.00 32.58 32.04 3kcz s HIS 311 CO 0.44 0.60 0.27 0.34 -0.85 0.00 0.00 174.74 175.54 3kcz s ASP 312 N -3.67 5.24 -0.09 1.40 -1.08 0.12 -4.57 116.67 114.01 3kcz s ASP 312 Ca 0.32 -2.28 0.17 0.00 -0.52 0.00 0.00 52.55 50.24 3kcz s ASP 312 Cb -0.05 -1.83 0.63 0.00 -1.46 0.00 0.00 42.92 40.20 3kcz s ASP 312 CO 0.20 -0.49 1.54 0.49 0.52 0.00 0.00 175.17 177.43 3kcz n PHE 313 N 4.25 1.23 0.00 -5.34 3.72 -1.26 -4.88 117.46 115.18 3kcz n PHE 313 Ca 0.01 -0.62 0.00 0.00 -0.05 0.00 0.00 57.45 56.79 3kcz n PHE 313 Cb 0.40 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 3kcz n PHE 313 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kcz n GLY 314 N 0.88 3.77 0.75 1.37 0.00 -1.26 -2.22 105.19 108.49 3kcz n GLY 314 Ca 0.23 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.47 3kcz n GLY 314 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kcz n LEU 315 N 0.00 2.40 -4.92 0.99 4.77 -1.26 -4.97 117.00 114.00 3kcz n LEU 315 Ca 0.00 -0.80 -0.26 0.00 -0.03 0.00 0.00 56.01 54.92 3kcz n LEU 315 Cb 0.00 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3kcz n LEU 315 CO 0.00 0.40 0.22 0.00 -1.33 0.00 0.00 177.39 176.69 3kcz s ARG 316 N -2.05 3.54 0.03 3.23 1.70 -0.94 -5.00 118.95 119.46 3kcz s ARG 316 Ca 0.30 -0.15 -0.33 0.00 -0.47 0.00 0.00 55.73 55.09 3kcz s ARG 316 Cb 0.20 -2.62 -0.12 0.00 -0.57 0.00 0.00 34.95 31.85 3kcz s ARG 316 CO 0.34 0.12 1.80 2.41 -1.08 0.00 0.00 175.30 178.88 3kcz n THR 317 N -1.58 0.40 -1.68 4.99 -1.04 -1.26 -4.87 114.28 109.24 3kcz n THR 317 Ca -0.03 -0.07 -0.46 0.00 -2.04 0.00 0.00 64.05 61.45 3kcz n THR 317 Cb 0.55 -1.86 -0.04 0.00 -1.82 0.00 0.00 70.33 67.16 3kcz n THR 317 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3kcz n PRO 318 N 5.67 2.41 -2.57 -2.82 -0.02 -1.26 -4.89 135.00 131.52 3kcz n PRO 318 Ca 0.20 0.88 -0.35 0.00 -2.02 0.00 0.00 63.50 62.21 3kcz n PRO 318 Cb 0.32 -2.74 -0.04 0.00 -0.02 0.00 0.00 33.50 31.02 3kcz n PRO 318 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3kcz s PRO 319 N 3.14 4.04 0.64 0.52 0.04 -1.26 -5.01 135.00 137.11 3kcz s PRO 319 Ca 0.87 1.42 -0.17 0.00 0.04 0.00 0.00 61.00 63.16 3kcz s PRO 319 Cb -0.61 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 31.58 3kcz s PRO 319 CO 0.44 -0.23 1.17 -0.51 0.04 0.00 0.00 177.00 177.91 3kcz s LEU 320 N -2.99 3.51 -0.35 -3.56 1.43 -1.26 -5.01 118.68 110.45 3kcz s LEU 320 Ca 0.62 2.25 -0.08 0.00 -1.03 0.00 0.00 54.13 55.88 3kcz s LEU 320 Cb -0.19 -4.58 0.03 0.00 0.03 0.00 0.00 46.19 41.49 3kcz s LEU 320 CO 0.23 -1.73 0.13 -0.63 0.23 0.00 0.00 176.35 174.59 3kcz s ILE 321 N -1.92 4.02 0.00 -0.59 1.01 -1.26 -4.92 121.20 117.54 3kcz s ILE 321 Ca 0.73 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 60.35 3kcz s ILE 321 Cb -0.26 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 38.94 3kcz s ILE 321 CO 0.38 -0.19 0.00 0.54 0.00 0.00 0.00 174.94 175.67 3kcz n ARG 322 N 4.87 2.60 -4.01 2.79 1.74 -1.26 -4.96 116.66 118.42 3kcz n ARG 322 Ca -0.12 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.74 3kcz n ARG 322 Cb 0.45 -0.83 -0.04 0.00 -1.02 0.00 0.00 32.46 31.03 3kcz n ARG 322 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3kcz s THR 323 N -1.64 4.47 0.25 0.55 -4.23 -1.26 -4.99 115.64 108.78 3kcz s THR 323 Ca 0.00 -1.30 -0.04 0.00 -1.18 0.00 0.00 61.69 59.17 3kcz s THR 323 Cb 0.00 -3.46 0.22 0.00 1.34 0.00 0.00 72.50 70.60 3kcz s THR 323 CO 0.00 -0.31 1.72 -0.61 -0.54 0.00 0.00 174.62 174.88 3kcz h GLN 324 N 1.36 0.40 -0.49 3.99 -0.00 -1.99 -0.74 115.11 117.65 3kcz h GLN 324 Ca -0.49 -0.02 0.04 0.00 -0.00 0.00 0.00 58.65 58.18 3kcz h GLN 324 Cb 1.24 -0.09 -0.04 0.00 0.00 0.00 0.00 27.48 28.59 3kcz h GLN 324 CO 0.60 0.26 0.26 -0.22 0.00 0.00 0.00 178.83 179.73 3kcz h LYS 325 N 0.41 0.50 -0.36 1.69 3.64 -1.94 0.92 116.57 121.43 3kcz h LYS 325 Ca 0.42 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.64 3kcz h LYS 325 Cb 0.66 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 3kcz h LYS 325 CO -0.43 0.33 -0.30 0.93 -2.27 0.00 0.00 179.45 177.71 3kcz h GLU 326 N 0.51 0.77 -0.15 1.90 5.08 -1.69 -0.39 114.58 120.62 3kcz h GLU 326 Ca 0.21 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 3kcz h GLU 326 Cb 0.09 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3kcz h GLU 326 CO -0.13 0.97 0.01 1.25 -1.00 0.00 0.00 179.01 180.11 3kcz h LEU 327 N 0.65 0.26 -0.84 1.33 5.85 -0.99 -2.68 115.31 118.89 3kcz h LEU 327 Ca 0.08 -0.30 0.10 0.00 0.84 0.00 0.00 57.88 58.59 3kcz h LEU 327 Cb 0.83 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.72 3kcz h LEU 327 CO 0.07 0.49 0.49 -1.28 -0.34 0.00 0.00 178.44 177.87 3kcz h SER 328 N 0.01 0.70 -0.90 1.25 0.87 -0.50 -1.12 113.55 113.86 3kcz h SER 328 Ca 0.04 0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.67 3kcz h SER 328 Cb 0.35 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.18 3kcz h SER 328 CO 0.01 0.40 0.59 -0.33 -0.53 0.00 0.00 176.83 176.97 3kcz h GLU 329 N 0.81 1.14 -0.32 2.24 5.08 -0.95 -0.65 114.58 121.94 3kcz h GLU 329 Ca 0.40 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.58 3kcz h GLU 329 Cb 0.37 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3kcz h GLU 329 CO -0.25 0.76 -0.29 0.87 -1.00 0.00 0.00 179.01 179.10 3kcz h LYS 330 N 1.18 0.66 -0.53 2.33 1.79 -1.07 -1.84 116.57 119.09 3kcz h LYS 330 Ca 0.34 -0.28 -0.03 0.00 -2.18 0.00 0.00 60.65 58.50 3kcz h LYS 330 Cb -0.08 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.53 3kcz h LYS 330 CO -0.09 0.87 0.20 0.82 -1.08 0.00 0.00 179.45 180.17 3kcz h ILE 331 N 0.57 1.22 -0.48 1.86 2.04 -0.78 -1.68 117.51 120.26 3kcz h ILE 331 Ca 0.07 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 3kcz h ILE 331 Cb 0.78 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3kcz h ILE 331 CO 0.06 0.26 0.13 1.56 0.00 0.00 0.00 178.15 180.16 3kcz h GLN 332 N 0.72 0.72 -0.01 2.37 4.20 -0.97 0.21 115.11 122.35 3kcz h GLN 332 Ca 0.18 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3kcz h GLN 332 Cb 0.21 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 3kcz h GLN 332 CO -0.01 0.65 0.01 1.25 -0.67 0.00 0.00 178.83 180.05 3kcz h LEU 333 N 0.70 0.01 -0.79 1.46 5.85 -1.03 -1.88 115.31 119.64 3kcz h LEU 333 Ca 0.16 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 3kcz h LEU 333 Cb 0.25 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3kcz h LEU 333 CO -0.00 0.02 -0.19 -0.07 -0.34 0.00 0.00 178.44 177.85 3kcz h LEU 334 N 0.00 0.71 -0.68 2.25 3.38 -0.74 -1.47 115.31 118.76 3kcz h LEU 334 Ca 0.00 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.76 3kcz h LEU 334 Cb 0.01 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3kcz h LEU 334 CO -0.00 0.90 0.44 -0.33 0.09 0.00 0.00 178.44 179.53 3kcz h GLU 335 N 0.62 0.85 -0.31 1.13 5.08 -0.52 -0.83 114.58 120.60 3kcz h GLU 335 Ca 0.09 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3kcz h GLU 335 Cb 0.67 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3kcz h GLU 335 CO 0.05 0.56 0.08 0.00 -1.00 0.00 0.00 179.01 178.70 3kcz h ALA 336 N 1.27 0.41 -0.89 3.43 0.00 -1.13 -2.29 119.26 120.05 3kcz h ALA 336 Ca 0.26 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3kcz h ALA 336 Cb -0.04 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 3kcz h ALA 336 CO -0.08 0.07 0.58 -0.07 0.00 0.00 0.00 179.25 179.75 3kcz h LEU 337 N 0.34 0.88 -0.46 0.00 3.38 -1.10 0.22 115.31 118.57 3kcz h LEU 337 Ca 0.10 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3kcz h LEU 337 Cb 0.29 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3kcz h LEU 337 CO 0.00 0.55 0.21 1.23 0.09 0.00 0.00 178.44 180.53 3kcz h GLY 338 N 0.99 0.72 1.76 0.83 0.00 -0.90 0.79 103.07 107.25 3kcz h GLY 338 Ca 0.39 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 47.25 3kcz h GLY 338 CO -0.15 0.35 -0.39 -0.55 0.00 0.00 0.00 176.54 175.79 3kcz h ASP 339 N 0.60 0.28 -0.34 0.19 3.32 -0.83 -2.60 116.42 117.05 3kcz h ASP 339 Ca 0.16 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 3kcz h ASP 339 Cb 0.14 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3kcz h ASP 339 CO -0.02 0.65 -0.08 0.40 -1.72 0.00 0.00 179.24 178.48 3kcz h ILE 340 N 0.23 1.28 -0.56 0.35 2.04 -0.26 -0.42 117.51 120.17 3kcz h ILE 340 Ca 0.02 -1.13 0.10 0.00 1.00 0.00 0.00 64.86 64.86 3kcz h ILE 340 Cb 0.80 1.32 -0.08 0.00 -0.74 0.00 0.00 36.82 38.12 3kcz h ILE 340 CO 0.06 0.37 0.10 -0.08 0.00 0.00 0.00 178.15 178.60 3kcz h GLU 341 N 0.43 0.22 0.03 2.37 4.22 -0.77 -0.46 114.58 120.62 3kcz h GLU 341 Ca 0.09 -0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.53 3kcz h GLU 341 Cb 0.57 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 3kcz h GLU 341 CO 0.03 0.15 -0.15 0.82 -2.18 0.00 0.00 179.01 177.67 3kcz h ILE 342 N 0.23 0.63 -0.52 2.32 2.04 -1.35 -2.92 117.51 117.93 3kcz h ILE 342 Ca 0.29 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.19 3kcz h ILE 342 Cb 0.43 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 3kcz h ILE 342 CO -0.39 0.00 0.27 0.00 0.00 0.00 0.00 178.15 178.03 3kcz h ALA 343 N 0.64 0.66 -0.73 1.87 0.00 -0.51 -1.15 119.26 120.04 3kcz h ALA 343 Ca 0.04 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3kcz h ALA 343 Cb 0.32 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3kcz h ALA 343 CO -0.13 -0.07 0.33 0.82 0.00 0.00 0.00 179.25 180.20 3kcz h ILE 344 N 0.52 1.24 -0.19 0.00 2.04 -1.08 -0.10 117.51 119.94 3kcz h ILE 344 Ca 0.23 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.34 3kcz h ILE 344 Cb 0.13 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3kcz h ILE 344 CO -0.15 0.29 -0.07 0.11 0.00 0.00 0.00 178.15 178.33 3kcz h LYS 345 N 1.05 0.38 -0.77 2.37 1.57 -1.31 -3.23 116.57 116.63 3kcz h LYS 345 Ca 0.25 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3kcz h LYS 345 Cb 0.14 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 3kcz h LYS 345 CO -0.03 0.66 0.41 1.25 -0.57 0.00 0.00 179.45 181.17 3kcz h LEU 346 N 0.08 0.96 -0.27 2.94 6.46 -0.81 -2.76 115.31 121.91 3kcz h LEU 346 Ca 0.04 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 3kcz h LEU 346 Cb 0.54 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.22 3kcz h LEU 346 CO 0.02 0.78 -0.02 1.33 -0.62 0.00 0.00 178.44 179.93 3kcz n VAL 347 N -4.35 0.00 -1.78 1.05 0.24 -0.09 -4.74 118.33 108.67 3kcz n VAL 347 Ca 0.08 -0.07 -0.42 0.00 -2.04 0.00 0.00 64.34 61.89 3kcz n VAL 347 Cb 0.11 -0.18 -0.02 0.00 -1.47 0.00 0.00 33.84 32.27 3kcz n VAL 347 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3kcz s LYS 348 N -2.14 4.14 0.12 7.34 1.02 -1.04 -4.96 119.74 124.21 3kcz s LYS 348 Ca 0.40 2.56 0.06 0.00 0.02 0.00 0.00 55.97 59.01 3kcz s LYS 348 Cb 0.21 -3.06 -0.04 0.00 -0.52 0.00 0.00 37.83 34.42 3kcz s LYS 348 CO 0.39 -0.67 -0.04 0.95 -0.92 0.00 0.00 175.35 175.06 3kcz s THR 349 N 0.56 3.69 -0.41 2.17 -4.23 -1.26 -4.96 115.64 111.19 3kcz s THR 349 Ca 0.68 -1.21 -0.26 0.00 -1.18 0.00 0.00 61.69 59.72 3kcz s THR 349 Cb -0.48 -2.77 0.02 0.00 1.34 0.00 0.00 72.50 70.61 3kcz s THR 349 CO 0.40 0.06 0.95 -1.61 -0.54 0.00 0.00 174.62 173.88 3kcz s GLU 350 N -2.42 3.72 0.22 3.99 2.02 -1.26 -4.95 118.70 120.02 3kcz s GLU 350 Ca 0.24 0.43 -0.08 0.00 0.02 0.00 0.00 54.97 55.58 3kcz s GLU 350 Cb -0.11 -3.86 0.24 0.00 0.10 0.00 0.00 34.13 30.50 3kcz s GLU 350 CO 0.17 -1.10 1.87 -0.07 0.02 0.00 0.00 175.26 176.14 3kcz h LEU 351 N 10.40 0.85 -0.89 1.80 3.38 -1.99 -1.99 115.31 126.86 3kcz h LEU 351 Ca -0.23 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3kcz h LEU 351 Cb 1.07 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3kcz h LEU 351 CO 1.02 0.59 0.00 0.00 0.09 0.00 0.00 178.44 180.13 3kcz n GLN 352 N -4.59 1.56 -2.37 1.13 6.02 -1.26 -4.92 117.38 112.96 3kcz n GLN 352 Ca 0.10 -0.87 -0.38 0.00 -0.01 0.00 0.00 57.00 55.83 3kcz n GLN 352 Cb 0.09 -1.23 -0.03 0.00 1.02 0.00 0.00 30.24 30.09 3kcz n GLN 352 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3kcz s SER 353 N -1.11 6.73 0.40 1.08 0.15 -0.75 -4.94 113.70 115.25 3kcz s SER 353 Ca 0.19 2.29 0.27 0.00 0.70 0.00 0.00 55.95 59.40 3kcz s SER 353 Cb 0.10 -2.61 0.79 0.00 -1.71 0.00 0.00 66.02 62.59 3kcz s SER 353 CO 0.14 -0.53 1.76 1.55 1.20 0.00 0.00 173.24 177.36 3kcz h PRO 354 N 2.88 0.00 -6.69 5.44 0.13 -1.91 -3.45 132.00 128.40 3kcz h PRO 354 Ca -0.48 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.12 3kcz h PRO 354 Cb 1.23 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.40 3kcz h PRO 354 CO 0.63 0.00 0.73 -1.21 -0.23 0.00 0.00 178.00 177.92 3kcz s GLU 355 N -3.32 4.31 0.30 0.86 2.02 -1.26 -4.99 118.70 116.62 3kcz s GLU 355 Ca 0.06 2.20 -0.29 0.00 0.02 0.00 0.00 54.97 56.96 3kcz s GLU 355 Cb 0.08 -3.16 -0.13 0.00 0.10 0.00 0.00 34.13 31.02 3kcz s GLU 355 CO 0.58 -0.38 1.16 1.58 0.02 0.00 0.00 175.26 178.22 3kcz n HIS 356 N 2.73 1.73 -0.34 1.61 -0.00 -1.26 -4.83 115.22 114.86 3kcz n HIS 356 Ca 0.08 0.62 0.11 0.00 -0.00 0.00 0.00 57.72 58.53 3kcz n HIS 356 Cb 0.41 -2.33 0.31 0.00 -0.00 0.00 0.00 29.99 28.38 3kcz n HIS 356 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3kcz h PRO 357 N 2.48 0.79 -0.91 1.57 0.11 -1.96 -1.81 132.00 132.28 3kcz h PRO 357 Ca -0.43 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3kcz h PRO 357 Cb 1.31 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 3kcz h PRO 357 CO 0.63 0.52 0.51 -0.07 -0.21 0.00 0.00 178.00 179.38 3kcz h LEU 358 N 0.81 1.13 -0.89 2.35 3.38 -1.99 0.55 115.31 120.65 3kcz h LEU 358 Ca 0.53 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.37 3kcz h LEU 358 Cb 0.77 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3kcz h LEU 358 CO -0.31 0.90 0.30 0.44 0.09 0.00 0.00 178.44 179.85 3kcz h ASP 359 N 1.27 1.02 -0.11 -0.43 3.32 -1.72 -0.03 116.42 119.75 3kcz h ASP 359 Ca 0.32 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 3kcz h ASP 359 Cb 0.01 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3kcz h ASP 359 CO -0.05 0.91 0.05 1.56 -1.72 0.00 0.00 179.24 179.99 3kcz h GLN 360 N 1.09 0.16 -0.19 3.56 4.20 -0.69 -1.86 115.11 121.37 3kcz h GLN 360 Ca 0.25 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.96 3kcz h GLN 360 Cb 0.21 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 3kcz h GLN 360 CO -0.02 0.23 0.02 0.45 -0.67 0.00 0.00 178.83 178.84 3kcz h HIS 361 N 0.05 0.03 -0.11 2.96 3.86 -0.62 -2.69 115.15 118.64 3kcz h HIS 361 Ca 0.04 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.28 3kcz h HIS 361 Cb 0.12 0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 3kcz h HIS 361 CO -0.03 -0.00 -0.01 -0.92 0.86 0.00 0.00 177.93 177.83 3kcz h TYR 362 N 0.09 -0.03 -0.85 2.45 3.20 -0.93 -2.32 116.97 118.58 3kcz h TYR 362 Ca 0.09 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.08 3kcz h TYR 362 Cb 0.10 0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.31 3kcz h TYR 362 CO -0.16 -0.03 0.48 -0.09 -1.64 0.00 0.00 178.16 176.73 3kcz h ARG 363 N 0.02 0.75 0.00 1.82 2.43 -1.30 -1.31 114.38 116.79 3kcz h ARG 363 Ca 0.05 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3kcz h ARG 363 Cb 0.07 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3kcz h ARG 363 CO -0.09 0.49 0.00 -0.91 -1.51 0.00 0.00 179.97 177.95 3kcz h ASN 364 N 0.77 0.00 0.51 -3.80 2.35 -1.07 -1.73 115.58 112.61 3kcz h ASN 364 Ca 0.43 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 56.08 3kcz h ASN 364 Cb 0.46 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 3kcz h ASN 364 CO -0.28 0.00 -0.47 -0.07 -1.65 0.00 0.00 177.43 174.96 3kcz h LEU 365 N 0.00 0.00 -1.65 1.61 3.38 -0.98 -3.47 115.31 114.20 3kcz h LEU 365 Ca 0.00 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 3kcz h LEU 365 Cb 0.29 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.06 3kcz h LEU 365 CO 0.00 0.47 -0.82 1.41 0.09 0.00 0.00 178.44 179.59 3kcz n HIS 366 N -3.92 -1.95 -3.48 1.13 8.25 -0.65 -4.00 115.22 110.61 3kcz n HIS 366 Ca -0.01 0.84 -0.01 0.00 -0.26 0.00 0.00 57.72 58.27 3kcz n HIS 366 Cb 0.50 -4.24 -0.04 0.00 1.12 0.00 0.00 29.99 27.33 3kcz n HIS 366 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kcz s ALA 368 N 2.81 3.47 -0.18 0.00 0.00 0.58 -4.91 121.76 123.54 3kcz s ALA 368 Ca 0.04 1.02 -0.00 0.00 0.00 0.00 0.00 51.96 53.02 3kcz s ALA 368 Cb -0.13 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.60 3kcz s ALA 368 CO -0.18 -0.44 -0.05 -0.51 0.00 0.00 0.00 175.76 174.58 3kcz s LEU 369 N -0.33 1.74 -0.17 0.00 1.43 -1.26 -1.65 118.68 118.44 3kcz s LEU 369 Ca 0.54 -0.76 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 3kcz s LEU 369 Cb -0.34 -0.93 0.02 0.00 0.03 0.00 0.00 46.19 44.96 3kcz s LEU 369 CO 0.38 -0.20 -0.17 -0.13 0.23 0.00 0.00 176.35 176.46 3kcz s ARG 370 N 1.61 2.66 0.35 1.70 0.52 -0.70 -4.94 118.95 120.15 3kcz s ARG 370 Ca -0.01 -0.70 -0.28 0.00 -0.52 0.00 0.00 55.73 54.22 3kcz s ARG 370 Cb -0.16 -2.35 -0.10 0.00 0.52 0.00 0.00 34.95 32.86 3kcz s ARG 370 CO -0.07 -0.22 1.37 -1.25 0.02 0.00 0.00 175.30 175.14 3kcz s PRO 371 N 1.38 4.26 0.10 3.54 0.05 -1.26 -0.70 135.00 142.36 3kcz s PRO 371 Ca 0.05 2.34 0.02 0.00 0.05 0.00 0.00 61.00 63.46 3kcz s PRO 371 Cb -0.13 -3.02 -0.04 0.00 0.05 0.00 0.00 34.50 31.36 3kcz s PRO 371 CO -0.12 -0.32 0.19 -0.51 0.05 0.00 0.00 177.00 176.29 3kcz s LEU 372 N -1.92 4.14 -0.02 -3.56 1.43 -0.37 -4.87 118.68 113.51 3kcz s LEU 372 Ca 0.50 0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 53.43 3kcz s LEU 372 Cb -0.42 -2.75 -0.05 0.00 0.03 0.00 0.00 46.19 43.00 3kcz s LEU 372 CO 0.56 0.13 1.29 -0.62 0.23 0.00 0.00 176.35 177.94 3kcz s ASP 373 N -2.74 6.97 0.34 2.29 -1.08 -1.26 -4.77 116.67 116.42 3kcz s ASP 373 Ca 0.33 1.97 0.25 0.00 -0.52 0.00 0.00 52.55 54.58 3kcz s ASP 373 Cb -0.12 -2.56 1.21 0.00 -1.46 0.00 0.00 42.92 39.98 3kcz s ASP 373 CO 0.26 -0.63 1.76 0.45 0.52 0.00 0.00 175.17 177.53 3kcz h HIS 374 N 7.52 0.00 -0.44 -5.34 3.86 -1.97 -1.41 115.15 117.37 3kcz h HIS 374 Ca -0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.84 3kcz h HIS 374 Cb 1.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.64 3kcz h HIS 374 CO 0.73 0.00 0.00 0.39 0.86 0.00 0.00 177.93 179.91 3kcz n GLU 375 N -2.38 2.55 -3.08 2.45 1.02 -1.26 -4.75 120.64 115.20 3kcz n GLU 375 Ca 0.00 -1.80 -0.30 0.00 -0.02 0.00 0.00 57.16 55.04 3kcz n GLU 375 Cb 0.14 -1.57 -0.03 0.00 -0.02 0.00 0.00 31.44 29.95 3kcz n GLU 375 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3kcz s SER 376 N -0.84 6.50 0.18 1.62 1.04 -0.53 -4.98 113.70 116.70 3kcz s SER 376 Ca 0.33 0.96 -0.13 0.00 0.48 0.00 0.00 55.95 57.59 3kcz s SER 376 Cb 0.20 -2.25 0.18 0.00 0.10 0.00 0.00 66.02 64.25 3kcz s SER 376 CO 0.18 -0.30 1.74 0.22 0.98 0.00 0.00 173.24 176.06 3kcz h TYR 377 N 1.50 0.29 -0.43 5.02 3.20 -1.93 -1.50 116.97 123.11 3kcz h TYR 377 Ca -0.47 0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.51 3kcz h TYR 377 Cb 1.19 -0.06 -0.08 0.00 1.54 0.00 0.00 36.73 39.32 3kcz h TYR 377 CO 0.59 0.09 -0.07 0.93 -1.64 0.00 0.00 178.16 178.06 3kcz h GLU 378 N 0.34 0.03 -0.88 1.82 5.08 -1.94 0.31 114.58 119.34 3kcz h GLU 378 Ca 0.24 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.61 3kcz h GLU 378 Cb 0.27 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 3kcz h GLU 378 CO -0.26 0.02 0.58 0.35 -1.00 0.00 0.00 179.01 178.70 3kcz h PHE 379 N 0.03 1.10 -0.41 4.33 3.57 -1.70 -1.43 116.94 122.44 3kcz h PHE 379 Ca 0.21 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 3kcz h PHE 379 Cb 0.32 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 3kcz h PHE 379 CO -0.35 0.68 0.02 -0.22 -2.23 0.00 0.00 178.31 176.22 3kcz h LYS 380 N 1.18 0.70 -0.38 1.11 3.11 -0.14 -0.45 116.57 121.70 3kcz h LYS 380 Ca 0.32 -0.21 -0.08 0.00 -2.81 0.00 0.00 60.65 57.87 3kcz h LYS 380 Cb -0.12 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.03 3kcz h LYS 380 CO -0.07 0.77 -0.07 0.28 -2.81 0.00 0.00 179.45 177.55 3kcz h VAL 381 N 0.54 1.27 -0.74 2.00 2.07 -0.81 -0.51 116.25 120.07 3kcz h VAL 381 Ca 0.12 -1.13 -0.05 0.00 0.82 0.00 0.00 66.70 66.45 3kcz h VAL 381 Cb 0.44 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 3kcz h VAL 381 CO 0.02 0.38 0.25 0.40 0.02 0.00 0.00 177.57 178.64 3kcz h ILE 382 N 0.52 1.26 -0.45 4.57 2.04 -1.24 0.14 117.51 124.34 3kcz h ILE 382 Ca 0.10 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 3kcz h ILE 382 Cb 0.58 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3kcz h ILE 382 CO 0.03 0.34 0.23 0.28 0.00 0.00 0.00 178.15 179.03 3kcz h SER 383 N 1.09 0.59 -0.88 1.72 0.02 -0.80 -0.37 113.55 114.91 3kcz h SER 383 Ca 0.24 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3kcz h SER 383 Cb 0.27 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 3kcz h SER 383 CO -0.01 0.54 0.53 1.56 -1.14 0.00 0.00 176.83 178.30 3kcz h GLN 384 N 0.59 1.21 -0.27 3.45 4.20 -0.75 -2.04 115.11 121.49 3kcz h GLN 384 Ca 0.16 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 3kcz h GLN 384 Cb 0.10 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 3kcz h GLN 384 CO -0.02 0.85 0.13 -0.92 -0.67 0.00 0.00 178.83 178.20 3kcz h TYR 385 N 1.23 0.39 -0.27 2.96 3.20 -0.33 0.87 116.97 125.03 3kcz h TYR 385 Ca 0.32 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.21 3kcz h TYR 385 Cb -0.04 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.07 3kcz h TYR 385 CO 0.01 0.37 -0.01 1.25 -1.64 0.00 0.00 178.16 178.14 3kcz h LEU 386 N 0.30 -0.12 0.12 2.82 5.85 -0.89 -2.45 115.31 120.94 3kcz h LEU 386 Ca 0.09 0.06 -0.18 0.00 0.84 0.00 0.00 57.88 58.69 3kcz h LEU 386 Cb 0.13 0.11 0.02 0.00 0.37 0.00 0.00 40.66 41.29 3kcz h LEU 386 CO -0.01 -0.03 -0.79 1.56 -0.34 0.00 0.00 178.44 178.83 3kcz h GLN 387 N 0.07 0.33 0.00 1.25 1.08 -1.27 -3.09 115.11 113.49 3kcz h GLN 387 Ca 0.13 -0.51 -0.04 0.00 -1.45 0.00 0.00 58.65 56.78 3kcz h GLN 387 Cb 0.17 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 3kcz h GLN 387 CO -0.22 1.22 -0.18 0.66 -0.95 0.00 0.00 178.83 179.36 3kcz h SER 388 N -0.30 0.00 -0.43 1.46 4.64 -0.84 -2.66 113.55 115.42 3kcz h SER 388 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3kcz h SER 388 Cb 1.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.68 3kcz h SER 388 CO 0.15 0.18 0.00 0.35 -0.87 0.00 0.00 176.83 176.64 3kcz n THR 389 N -3.51 1.77 -2.09 2.95 -2.24 -0.93 -3.99 114.28 106.25 3kcz n THR 389 Ca -0.01 -1.37 -0.42 0.00 -2.27 0.00 0.00 64.05 59.98 3kcz n THR 389 Cb 0.34 0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.64 3kcz n THR 389 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3kcz s HIS 390 N -1.95 2.14 0.48 4.78 5.04 -1.00 -2.03 115.29 122.75 3kcz s HIS 390 Ca 0.40 0.39 -0.22 0.00 -1.54 0.00 0.00 55.06 54.10 3kcz s HIS 390 Cb 0.28 -3.86 -0.07 0.00 0.04 0.00 0.00 32.58 28.97 3kcz s HIS 390 CO 0.17 -3.34 1.12 0.00 -2.34 0.00 0.00 174.74 170.34 3kcz s ALA 391 N 4.17 2.88 0.35 1.58 0.00 -1.26 -4.95 121.76 124.53 3kcz s ALA 391 Ca 0.70 0.82 0.05 0.00 0.00 0.00 0.00 51.96 53.53 3kcz s ALA 391 Cb -0.30 -3.34 0.65 0.00 0.00 0.00 0.00 23.12 20.13 3kcz s ALA 391 CO 0.27 -0.58 1.91 -1.00 0.00 0.00 0.00 175.76 176.36 3kcz h PRO 392 N 1.76 0.51 0.00 0.00 0.13 -1.99 -2.40 132.00 130.01 3kcz h PRO 392 Ca -0.49 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 3kcz h PRO 392 Cb 1.24 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3kcz h PRO 392 CO 0.59 0.51 0.00 0.25 -0.23 0.00 0.00 178.00 179.12 3kcz n THR 393 N -4.31 0.06 -2.34 1.56 -2.24 -1.26 -3.84 114.28 101.91 3kcz n THR 393 Ca 0.02 0.02 -0.39 0.00 -2.27 0.00 0.00 64.05 61.42 3kcz n THR 393 Cb 0.22 -0.54 0.02 0.00 -2.10 0.00 0.00 70.33 67.93 3kcz n THR 393 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3kcz n HIS 394 N -1.30 2.96 1.06 4.78 8.25 -0.90 -4.78 115.22 125.28 3kcz n HIS 394 Ca 0.13 -2.56 0.11 0.00 -0.26 0.00 0.00 57.72 55.14 3kcz n HIS 394 Cb 0.23 -1.11 0.34 0.00 1.12 0.00 0.00 29.99 30.58 3kcz n HIS 394 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3kcz n SER 395 N -0.29 2.04 0.00 0.41 3.41 -1.25 -3.95 113.62 113.99 3kcz n SER 395 Ca 0.49 -1.77 0.10 0.00 -0.26 0.00 0.00 58.87 57.44 3kcz n SER 395 Cb 0.27 -0.12 0.50 0.00 -0.26 0.00 0.00 64.21 64.59 3kcz n SER 395 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3kcz n ASP 396 N 0.57 0.00 -3.58 4.04 5.75 -1.26 -4.81 116.55 117.26 3kcz n ASP 396 Ca 0.17 0.21 -0.11 0.00 -0.01 0.00 0.00 54.79 55.05 3kcz n ASP 396 Cb 0.39 -0.38 -0.03 0.00 -1.03 0.00 0.00 41.12 40.07 3kcz n ASP 396 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 3kcz s TYR 397 N -2.76 -0.32 0.39 2.11 -0.85 -1.25 -4.53 117.35 110.13 3kcz s TYR 397 Ca 0.16 0.03 0.08 0.00 -0.52 0.00 0.00 57.07 56.82 3kcz s TYR 397 Cb 0.14 0.44 -0.06 0.00 0.38 0.00 0.00 41.96 42.87 3kcz s TYR 397 CO 0.35 -0.85 0.09 0.95 -1.52 0.00 0.00 175.55 174.57 3kcz s THR 398 N -3.81 2.38 0.02 -3.49 -4.23 -0.92 -4.95 115.64 100.64 3kcz s THR 398 Ca 0.04 -1.84 0.08 0.00 -1.18 0.00 0.00 61.69 58.78 3kcz s THR 398 Cb -0.00 -2.93 -0.02 0.00 1.34 0.00 0.00 72.50 70.88 3kcz s THR 398 CO -0.09 -0.07 -0.23 -0.04 -0.54 0.00 0.00 174.62 173.65 3kcz s MET 399 N -3.80 1.67 -0.13 3.99 -1.94 -1.26 0.31 119.30 118.13 3kcz s MET 399 Ca 0.38 -0.91 0.01 0.00 -1.71 0.00 0.00 55.69 53.46 3kcz s MET 399 Cb 0.04 -1.72 0.02 0.00 2.01 0.00 0.00 34.83 35.17 3kcz s MET 399 CO 0.21 0.46 -0.17 0.99 -0.01 0.00 0.00 175.02 176.49 3kcz s THR 400 N -0.67 1.69 -0.43 2.05 2.01 0.80 -4.96 115.64 116.12 3kcz s THR 400 Ca 0.09 -0.74 -0.29 0.00 0.31 0.00 0.00 61.69 61.06 3kcz s THR 400 Cb -0.09 -1.54 0.02 0.00 0.01 0.00 0.00 72.50 70.89 3kcz s THR 400 CO 0.01 0.48 1.34 -0.22 -0.69 0.00 0.00 174.62 175.53 3kcz s LEU 401 N 1.14 3.59 0.02 4.42 2.96 -1.26 -0.61 118.68 128.93 3kcz s LEU 401 Ca -0.02 0.71 -0.16 0.00 -0.22 0.00 0.00 54.13 54.44 3kcz s LEU 401 Cb -0.14 -3.54 -0.35 0.00 0.50 0.00 0.00 46.19 42.66 3kcz s LEU 401 CO -0.06 -1.39 0.97 -0.07 -1.32 0.00 0.00 176.35 174.48 3kcz h LEU 402 N 11.97 0.80 -7.76 -0.68 3.38 -0.91 -3.48 115.31 118.63 3kcz h LEU 402 Ca -0.26 -0.92 0.05 0.00 0.09 0.00 0.00 57.88 56.83 3kcz h LEU 402 Cb 1.09 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.51 3kcz h LEU 402 CO 1.10 1.69 0.23 -0.62 0.09 0.00 0.00 178.44 180.93 3kcz s ASP 403 N -7.51 -0.33 -0.07 -0.43 -1.08 -1.08 -4.99 116.67 101.18 3kcz s ASP 403 Ca -0.10 -0.46 -0.03 0.00 -0.52 0.00 0.00 52.55 51.44 3kcz s ASP 403 Cb 0.04 0.69 0.04 0.00 -1.46 0.00 0.00 42.92 42.23 3kcz s ASP 403 CO 0.93 -1.25 0.15 -0.22 0.52 0.00 0.00 175.17 175.30 3kcz s LEU 404 N -2.88 0.71 -0.02 -1.34 2.96 -1.26 -0.97 118.68 115.88 3kcz s LEU 404 Ca 0.09 0.31 0.07 0.00 -0.22 0.00 0.00 54.13 54.37 3kcz s LEU 404 Cb -0.05 0.38 -0.02 0.00 0.50 0.00 0.00 46.19 47.01 3kcz s LEU 404 CO 0.02 -0.15 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.33 3kcz s PHE 405 N 1.16 1.93 0.22 5.38 0.08 0.11 -1.24 117.98 125.63 3kcz s PHE 405 Ca -0.09 -0.38 -0.30 0.00 0.12 0.00 0.00 56.93 56.28 3kcz s PHE 405 Cb -0.11 -1.25 -0.09 0.00 -0.57 0.00 0.00 43.02 41.00 3kcz s PHE 405 CO -0.06 -0.04 1.09 -2.00 -0.10 0.00 0.00 175.22 174.11 3kcz s GLU 406 N -0.47 4.63 -0.14 0.44 2.12 0.12 -0.63 118.70 124.76 3kcz s GLU 406 Ca 0.07 1.74 -0.01 0.00 0.36 0.00 0.00 54.97 57.14 3kcz s GLU 406 Cb -0.09 -3.24 -0.02 0.00 0.26 0.00 0.00 34.13 31.05 3kcz s GLU 406 CO -0.01 0.16 -0.11 0.08 -0.54 0.00 0.00 175.26 174.84 3kcz s VAL 407 N -0.67 3.21 -0.38 3.70 1.01 0.77 -1.73 120.40 126.32 3kcz s VAL 407 Ca 0.47 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.86 3kcz s VAL 407 Cb -0.30 -2.37 0.13 0.00 0.00 0.00 0.00 36.38 33.83 3kcz s VAL 407 CO 0.37 0.51 0.19 -0.70 0.00 0.00 0.00 175.10 175.47 3kcz s GLU 408 N 0.46 0.90 -0.13 2.72 2.12 -0.66 -4.13 118.70 119.99 3kcz s GLU 408 Ca -0.08 -1.52 -0.29 0.00 0.36 0.00 0.00 54.97 53.43 3kcz s GLU 408 Cb -0.15 -1.93 -0.01 0.00 0.26 0.00 0.00 34.13 32.30 3kcz s GLU 408 CO 0.04 -1.12 1.04 0.21 -0.54 0.00 0.00 175.26 174.89 3kcz s LYS 409 N 0.94 4.38 -0.17 4.30 2.47 -1.26 -0.31 119.74 130.09 3kcz s LYS 409 Ca 0.15 1.43 -0.39 0.00 -1.56 0.00 0.00 55.97 55.60 3kcz s LYS 409 Cb -0.22 -3.57 -0.16 0.00 -1.46 0.00 0.00 37.83 32.42 3kcz s LYS 409 CO -0.08 -0.40 1.62 -0.25 0.16 0.00 0.00 175.35 176.40 3kcz n ASP 410 N 5.33 2.14 0.00 1.43 9.92 -0.94 -2.04 116.55 132.39 3kcz n ASP 410 Ca 0.10 1.09 0.00 0.00 -0.53 0.00 0.00 54.79 55.45 3kcz n ASP 410 Cb 0.48 -1.15 0.00 0.00 -0.64 0.00 0.00 41.12 39.81 3kcz n ASP 410 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kcz n GLY 411 N 3.67 3.31 0.21 0.44 0.00 -1.26 -4.92 105.19 106.64 3kcz n GLY 411 Ca 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.18 3kcz n GLY 411 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kcz h GLU 412 N 1.98 0.54 -0.53 1.61 5.08 -1.79 -2.16 114.58 119.30 3kcz h GLU 412 Ca 0.00 -0.32 -0.06 0.00 -1.00 0.00 0.00 59.36 57.99 3kcz h GLU 412 Cb 0.00 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3kcz h GLU 412 CO 0.00 0.92 0.11 -0.22 -1.00 0.00 0.00 179.01 178.82 3kcz h LYS 413 N 0.42 0.87 -0.15 2.33 3.64 -1.92 -1.88 116.57 119.88 3kcz h LYS 413 Ca 0.02 -0.22 -0.17 0.00 -1.27 0.00 0.00 60.65 59.01 3kcz h LYS 413 Cb 1.03 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 3kcz h LYS 413 CO 0.09 0.83 -0.60 0.93 -2.27 0.00 0.00 179.45 178.44 3kcz h GLU 414 N 0.76 0.51 0.00 1.90 3.07 -1.94 -3.21 114.58 115.66 3kcz h GLU 414 Ca 0.17 -0.34 -0.03 0.00 -0.50 0.00 0.00 59.36 58.65 3kcz h GLU 414 Cb 0.37 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.32 3kcz h GLU 414 CO 0.01 0.95 -0.16 0.00 -1.40 0.00 0.00 179.01 178.40 3kcz h ALA 415 N 0.97 0.93 -2.86 3.43 0.00 -1.28 -3.47 119.26 116.98 3kcz h ALA 415 Ca -0.00 -0.15 -0.53 0.00 0.00 0.00 0.00 54.91 54.23 3kcz h ALA 415 Cb 1.14 -0.03 0.07 0.00 0.00 0.00 0.00 17.79 18.98 3kcz h ALA 415 CO 0.11 0.21 0.69 0.12 0.00 0.00 0.00 179.25 180.37 3kcz s PHE 416 N -3.33 2.98 -0.99 0.00 5.36 -0.72 -4.80 117.98 116.48 3kcz s PHE 416 Ca 0.04 1.29 -0.18 0.00 -0.96 0.00 0.00 56.93 57.12 3kcz s PHE 416 Cb 0.07 -3.76 -0.09 0.00 -0.34 0.00 0.00 43.02 38.90 3kcz s PHE 416 CO 0.66 -2.20 2.05 0.54 -1.46 0.00 0.00 175.22 174.81 3kcz n ARG 417 N 1.11 1.97 0.26 10.12 5.12 0.43 -4.70 116.66 130.97 3kcz n ARG 417 Ca 0.02 -2.03 0.17 0.00 -1.93 0.00 0.00 57.85 54.07 3kcz n ARG 417 Cb 0.41 -2.98 0.90 0.00 -1.16 0.00 0.00 32.46 29.62 3kcz n ARG 417 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 3kcz h GLU 418 N 7.18 0.00 0.00 5.56 5.08 -1.89 -2.52 114.58 127.99 3kcz h GLU 418 Ca 0.48 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.78 3kcz h GLU 418 Cb 0.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3kcz h GLU 418 CO 1.90 0.00 -0.27 0.38 -1.00 0.00 0.00 179.01 180.02 3kcz h ASP 419 N 0.00 0.00 -4.00 1.42 2.03 -2.01 -3.45 116.42 110.41 3kcz h ASP 419 Ca 0.04 0.00 -0.47 0.00 -0.73 0.00 0.00 57.03 55.87 3kcz h ASP 419 Cb 0.27 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.78 3kcz h ASP 419 CO -0.00 0.27 0.39 -0.76 -1.03 0.00 0.00 179.24 178.11 3kcz s LEU 420 N -6.77 4.05 0.84 0.15 1.43 -0.95 -5.05 118.68 112.38 3kcz s LEU 420 Ca 0.01 1.94 -0.09 0.00 -1.03 0.00 0.00 54.13 54.97 3kcz s LEU 420 Cb 0.10 -4.32 0.16 0.00 0.03 0.00 0.00 46.19 42.16 3kcz s LEU 420 CO 0.66 -0.51 1.16 -1.38 0.23 0.00 0.00 176.35 176.50 3kcz s HIS 421 N -1.81 1.66 -1.23 0.29 -3.43 -1.26 -4.54 115.29 104.97 3kcz s HIS 421 Ca 0.60 0.05 -0.01 0.00 -0.80 0.00 0.00 55.06 54.91 3kcz s HIS 421 Cb -0.18 -3.55 -0.00 0.00 -1.43 0.00 0.00 32.58 27.41 3kcz s HIS 421 CO 0.23 -2.15 0.89 0.09 -2.00 0.00 0.00 174.74 171.79 3kcz n ASN 422 N -3.30 -2.04 -4.62 7.38 3.02 -1.26 -1.07 115.26 113.37 3kcz n ASN 422 Ca 0.15 -0.70 -0.42 0.00 -0.03 0.00 0.00 54.58 53.57 3kcz n ASN 422 Cb 0.60 -4.73 -0.04 0.00 -0.61 0.00 0.00 39.78 35.00 3kcz n ASN 422 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3kcz s ARG 423 N -5.53 3.97 0.07 3.52 3.52 -1.26 -2.81 118.95 120.42 3kcz s ARG 423 Ca 0.03 0.68 0.10 0.00 -0.13 0.00 0.00 55.73 56.41 3kcz s ARG 423 Cb -0.01 -3.74 -0.03 0.00 -1.56 0.00 0.00 34.95 29.61 3kcz s ARG 423 CO 0.76 -0.76 -0.26 -1.64 -0.81 0.00 0.00 175.30 172.59 3kcz s MET 424 N 3.16 1.62 -0.40 5.12 -1.94 -0.76 -1.06 119.30 125.04 3kcz s MET 424 Ca 0.36 -1.17 -0.21 0.00 -1.71 0.00 0.00 55.69 52.95 3kcz s MET 424 Cb -0.13 -1.90 0.01 0.00 2.01 0.00 0.00 34.83 34.82 3kcz s MET 424 CO 0.14 0.48 0.67 -1.17 -0.01 0.00 0.00 175.02 175.12 3kcz s LEU 425 N -1.51 4.33 0.18 -0.03 2.96 0.30 -0.46 118.68 124.45 3kcz s LEU 425 Ca 0.12 -0.05 0.07 0.00 -0.22 0.00 0.00 54.13 54.05 3kcz s LEU 425 Cb -0.10 -2.81 -0.05 0.00 0.50 0.00 0.00 46.19 43.74 3kcz s LEU 425 CO 0.03 -0.71 -0.14 -0.76 -1.32 0.00 0.00 176.35 173.45 3kcz s LEU 426 N 2.86 2.53 0.35 -0.68 1.43 -0.21 -4.61 118.68 120.34 3kcz s LEU 426 Ca 0.25 -0.99 -0.11 0.00 -1.03 0.00 0.00 54.13 52.25 3kcz s LEU 426 Cb -0.14 -0.60 -0.07 0.00 0.03 0.00 0.00 46.19 45.41 3kcz s LEU 426 CO 0.18 -0.19 0.71 0.26 0.23 0.00 0.00 176.35 177.53 3kcz s TRP 427 N -2.92 3.43 -0.17 0.29 0.52 -0.32 -1.63 118.94 118.15 3kcz s TRP 427 Ca 0.20 1.04 -0.08 0.00 0.02 0.00 0.00 56.10 57.28 3kcz s TRP 427 Cb -0.01 -2.42 0.07 0.00 -1.15 0.00 0.00 33.47 29.96 3kcz s TRP 427 CO 0.05 0.03 0.39 -1.58 0.02 0.00 0.00 176.95 175.86 3kcz s HIS 428 N -2.16 -0.64 0.15 -1.98 2.46 -0.20 -1.98 115.29 110.94 3kcz s HIS 428 Ca 0.51 1.31 0.07 0.00 0.47 0.00 0.00 55.06 57.42 3kcz s HIS 428 Cb -0.10 0.24 -0.04 0.00 -0.13 0.00 0.00 32.58 32.54 3kcz s HIS 428 CO 0.26 -0.38 -0.01 0.20 -2.47 0.00 0.00 174.74 172.33 3kcz s GLY 429 N 1.90 1.77 0.20 1.59 0.00 -1.24 -1.19 107.32 110.36 3kcz s GLY 429 Ca -0.06 -1.30 -0.18 0.00 0.00 0.00 0.00 44.72 43.18 3kcz s GLY 429 CO -0.12 -1.30 0.55 -0.45 0.00 0.00 0.00 173.10 171.78 3kcz s SER 430 N -2.73 -0.29 0.75 1.64 0.15 -1.23 -4.66 113.70 107.32 3kcz s SER 430 Ca 0.26 -0.45 -0.14 0.00 0.70 0.00 0.00 55.95 56.33 3kcz s SER 430 Cb -0.10 0.60 0.05 0.00 -1.71 0.00 0.00 66.02 64.86 3kcz s SER 430 CO 0.18 -1.08 1.19 -0.13 1.20 0.00 0.00 173.24 174.60 3kcz s ARG 431 N -3.87 2.05 0.55 5.44 0.52 -1.10 -4.17 118.95 118.37 3kcz s ARG 431 Ca 0.09 1.71 0.31 0.00 -0.52 0.00 0.00 55.73 57.31 3kcz s ARG 431 Cb -0.02 -1.83 1.59 0.00 0.52 0.00 0.00 34.95 35.22 3kcz s ARG 431 CO -0.03 -1.90 2.11 0.52 0.02 0.00 0.00 175.30 176.03 3kcz h MET 432 N -0.48 0.00 0.00 3.54 2.86 -1.92 -1.10 114.93 117.82 3kcz h MET 432 Ca -0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 3kcz h MET 432 Cb 1.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.95 3kcz h MET 432 CO 0.49 0.08 0.00 -1.13 1.06 0.00 0.00 176.91 177.41 3kcz n SER 433 N -3.51 0.73 -0.01 1.22 3.41 -1.26 -3.79 113.62 110.41 3kcz n SER 433 Ca -0.02 0.65 0.10 0.00 -0.26 0.00 0.00 58.87 59.34 3kcz n SER 433 Cb 0.22 -0.81 -0.04 0.00 -0.26 0.00 0.00 64.21 63.31 3kcz n SER 433 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kcz n ASN 434 N -2.27 0.92 0.08 4.04 3.02 -0.42 -4.30 115.26 116.33 3kcz n ASN 434 Ca 0.03 -0.86 -0.02 0.00 -0.03 0.00 0.00 54.58 53.70 3kcz n ASN 434 Cb 0.28 0.84 0.23 0.00 -0.61 0.00 0.00 39.78 40.52 3kcz n ASN 434 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 3kcz h TRP 435 N 0.05 0.35 -0.43 3.10 4.06 -1.71 -0.57 115.95 120.80 3kcz h TRP 435 Ca 0.00 -0.08 -0.05 0.00 2.06 0.00 0.00 58.89 60.82 3kcz h TRP 435 Cb 0.50 -0.08 -0.02 0.00 -1.00 0.00 0.00 29.16 28.57 3kcz h TRP 435 CO 0.00 0.62 0.07 0.28 -3.56 0.00 0.00 178.44 175.85 3kcz h VAL 436 N 0.26 1.24 -0.37 1.49 2.07 -1.82 0.65 116.25 119.77 3kcz h VAL 436 Ca 0.03 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.67 3kcz h VAL 436 Cb 0.74 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3kcz h VAL 436 CO 0.06 0.31 0.24 1.23 0.02 0.00 0.00 177.57 179.43 3kcz h GLY 437 N 0.57 0.52 0.90 2.17 0.00 -1.67 -1.32 103.07 104.24 3kcz h GLY 437 Ca 0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 3kcz h GLY 437 CO 0.01 0.18 0.04 -2.22 0.00 0.00 0.00 176.54 174.56 3kcz h ILE 438 N 0.50 1.24 -0.13 2.60 2.04 -0.77 0.92 117.51 123.90 3kcz h ILE 438 Ca 0.14 -0.83 -0.15 0.00 1.00 0.00 0.00 64.86 65.02 3kcz h ILE 438 Cb -0.05 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3kcz h ILE 438 CO -0.04 0.27 -0.55 -0.07 0.00 0.00 0.00 178.15 177.77 3kcz h LEU 439 N 0.35 0.44 0.09 1.44 3.38 -0.88 0.40 115.31 120.53 3kcz h LEU 439 Ca 0.10 -0.24 -0.27 0.00 0.09 0.00 0.00 57.88 57.56 3kcz h LEU 439 Cb 0.36 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3kcz h LEU 439 CO 0.01 0.91 -1.28 0.77 0.09 0.00 0.00 178.44 178.93 3kcz h SER 440 N 0.31 0.29 -0.00 -0.43 4.64 -1.13 -3.37 113.55 113.86 3kcz h SER 440 Ca 0.00 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3kcz h SER 440 Cb 1.06 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3kcz h SER 440 CO 0.09 1.27 -0.31 1.41 -0.87 0.00 0.00 176.83 178.43 3kcz n HIS 441 N -3.44 0.00 -0.07 4.77 8.25 0.31 -4.84 115.22 120.19 3kcz n HIS 441 Ca -0.09 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.38 3kcz n HIS 441 Cb 1.01 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 32.12 3kcz n HIS 441 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kcz n GLY 442 N 1.03 -2.17 3.75 -1.41 0.00 0.14 -4.79 105.19 101.75 3kcz n GLY 442 Ca 0.03 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 3kcz n GLY 442 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kcz s LEU 443 N -4.85 4.37 0.16 0.99 1.43 -1.25 -4.57 118.68 114.96 3kcz s LEU 443 Ca 0.00 2.77 0.09 0.00 -1.03 0.00 0.00 54.13 55.96 3kcz s LEU 443 Cb 0.00 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.55 3kcz s LEU 443 CO 0.00 -0.75 -0.19 -0.13 0.23 0.00 0.00 176.35 175.51 3kcz s ARG 444 N -0.76 1.28 0.79 1.70 0.52 -1.26 -4.82 118.95 116.39 3kcz s ARG 444 Ca 0.58 -1.39 -0.11 0.00 -0.52 0.00 0.00 55.73 54.29 3kcz s ARG 444 Cb -0.43 -1.38 0.06 0.00 0.52 0.00 0.00 34.95 33.72 3kcz s ARG 444 CO 0.48 0.29 1.10 0.96 0.02 0.00 0.00 175.30 178.14 3kcz s ILE 445 N -1.90 3.08 0.65 1.52 -4.36 -1.26 -4.73 121.20 114.20 3kcz s ILE 445 Ca 0.15 0.35 -0.18 0.00 -0.26 0.00 0.00 60.65 60.72 3kcz s ILE 445 Cb -0.06 -3.14 -0.02 0.00 1.25 0.00 0.00 42.46 40.48 3kcz s ILE 445 CO 0.07 -0.46 1.03 0.00 0.24 0.00 0.00 174.94 175.82 3kcz n ALA 446 N -3.38 0.28 -1.60 2.27 0.00 -1.26 -4.93 120.51 111.89 3kcz n ALA 446 Ca 0.07 -0.05 -0.47 0.00 0.00 0.00 0.00 53.44 52.99 3kcz n ALA 446 Cb 0.57 -2.16 -0.03 0.00 0.00 0.00 0.00 19.45 17.83 3kcz n ALA 446 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3kcz n HIS 447 N -2.00 1.50 0.02 0.00 -0.00 -1.26 -4.88 115.22 108.60 3kcz n HIS 447 Ca 0.14 0.63 0.12 0.00 0.46 0.00 0.00 57.72 59.07 3kcz n HIS 447 Cb 0.48 -2.31 0.57 0.00 -0.12 0.00 0.00 29.99 28.61 3kcz n HIS 447 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3kcz h PRO 448 N 3.15 0.23 -0.00 1.57 0.13 -2.03 -2.25 132.00 132.81 3kcz h PRO 448 Ca -0.43 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3kcz h PRO 448 Cb 1.33 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3kcz h PRO 448 CO 0.68 0.15 -0.22 0.39 -0.23 0.00 0.00 178.00 178.78 3kcz n GLU 449 N -4.46 0.14 -1.77 0.86 -0.58 -1.26 -4.89 120.64 108.68 3kcz n GLU 449 Ca 0.06 -0.05 -0.39 0.00 -0.42 0.00 0.00 57.16 56.36 3kcz n GLU 449 Cb 0.34 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.74 3kcz n GLU 449 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kcz s ALA 450 N -2.89 3.07 0.20 0.62 0.00 -0.85 -4.45 121.76 117.46 3kcz s ALA 450 Ca 0.16 1.43 -0.32 0.00 0.00 0.00 0.00 51.96 53.23 3kcz s ALA 450 Cb 0.19 -3.59 -0.12 0.00 0.00 0.00 0.00 23.12 19.59 3kcz s ALA 450 CO 0.59 -1.30 1.70 -2.30 0.00 0.00 0.00 175.76 174.45 3kcz n PRO 451 N -0.55 2.67 0.16 0.00 -0.02 -1.26 -4.89 135.00 131.10 3kcz n PRO 451 Ca 0.07 0.96 0.04 0.00 -2.02 0.00 0.00 63.50 62.56 3kcz n PRO 451 Cb 0.43 -2.80 0.45 0.00 -0.02 0.00 0.00 33.50 31.56 3kcz n PRO 451 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3kcz h ILE 452 N 3.79 1.14 0.00 4.25 6.09 -1.95 -2.10 117.51 128.73 3kcz h ILE 452 Ca -0.43 -0.64 0.00 0.00 -1.37 0.00 0.00 64.86 62.42 3kcz h ILE 452 Cb 1.21 1.21 0.00 0.00 0.47 0.00 0.00 36.82 39.71 3kcz h ILE 452 CO 0.95 0.19 0.00 0.35 -3.07 0.00 0.00 178.15 176.57 3kcz n THR 453 N -4.32 1.36 0.58 2.19 -2.24 -1.26 -1.78 114.28 108.80 3kcz n THR 453 Ca -0.01 0.34 0.07 0.00 -2.27 0.00 0.00 64.05 62.18 3kcz n THR 453 Cb 0.24 -1.19 0.34 0.00 -2.10 0.00 0.00 70.33 67.61 3kcz n THR 453 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kcz n GLY 454 N -0.55 -0.93 2.85 3.38 0.00 -0.79 -4.70 105.19 104.45 3kcz n GLY 454 Ca 0.02 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 3kcz n GLY 454 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kcz s TYR 455 N -2.86 1.67 0.36 1.61 2.02 -0.73 -4.82 117.35 114.60 3kcz s TYR 455 Ca 0.10 -1.19 0.11 0.00 -0.37 0.00 0.00 57.07 55.71 3kcz s TYR 455 Cb 0.10 -1.29 0.87 0.00 -0.40 0.00 0.00 41.96 41.24 3kcz s TYR 455 CO 0.25 -0.65 1.85 1.98 -1.57 0.00 0.00 175.55 177.41 3kcz h MET 456 N 8.11 0.62 -0.02 -0.62 1.85 -1.85 -2.28 114.93 120.74 3kcz h MET 456 Ca -0.20 -0.04 -0.07 0.00 -0.61 0.00 0.00 59.70 58.79 3kcz h MET 456 Cb 1.10 -0.14 -0.13 0.00 0.43 0.00 0.00 31.60 32.86 3kcz h MET 456 CO 0.38 0.41 -0.67 1.19 -0.40 0.00 0.00 176.91 177.81 3kcz n PHE 457 N -4.58 0.06 -2.39 1.39 3.72 -1.26 -0.31 117.46 114.09 3kcz n PHE 457 Ca 0.19 -1.22 0.00 0.00 -0.05 0.00 0.00 57.45 56.37 3kcz n PHE 457 Cb 0.55 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 3kcz n PHE 457 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kcz n GLY 458 N -0.62 -2.20 3.03 1.37 0.00 -0.86 -4.29 105.19 101.62 3kcz n GLY 458 Ca 0.15 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 3kcz n GLY 458 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kcz n LYS 459 N -0.23 3.69 -1.72 1.61 5.02 -1.26 -4.83 118.16 120.44 3kcz n LYS 459 Ca 0.00 -3.79 0.00 0.00 -2.02 0.00 0.00 58.31 52.50 3kcz n LYS 459 Cb 0.00 -2.87 0.00 0.00 -0.02 0.00 0.00 35.03 32.14 3kcz n LYS 459 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kcz n GLY 460 N 2.84 3.78 3.55 0.72 0.00 -1.26 -4.49 105.19 110.34 3kcz n GLY 460 Ca 0.36 -2.19 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 3kcz n GLY 460 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kcz s ILE 461 N -0.50 4.59 -0.15 -0.61 1.01 0.61 -4.42 121.20 121.73 3kcz s ILE 461 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 60.65 60.48 3kcz s ILE 461 Cb 0.00 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 3kcz s ILE 461 CO 0.00 0.40 0.13 -0.31 0.00 0.00 0.00 174.94 175.16 3kcz s TYR 462 N 0.92 3.51 0.04 3.97 1.51 -1.26 -2.39 117.35 123.66 3kcz s TYR 462 Ca 0.04 0.44 0.02 0.00 -1.01 0.00 0.00 57.07 56.56 3kcz s TYR 462 Cb -0.14 -2.02 -0.02 0.00 -0.11 0.00 0.00 41.96 39.67 3kcz s TYR 462 CO 0.03 0.56 -0.07 -0.06 -1.11 0.00 0.00 175.55 174.89 3kcz s PHE 463 N -0.49 0.64 0.23 2.71 0.08 0.21 -4.77 117.98 116.58 3kcz s PHE 463 Ca 0.12 -0.47 0.11 0.00 0.12 0.00 0.00 56.93 56.81 3kcz s PHE 463 Cb -0.12 -0.38 -0.05 0.00 -0.57 0.00 0.00 43.02 41.90 3kcz s PHE 463 CO 0.02 -0.08 -0.20 0.00 -0.10 0.00 0.00 175.22 174.86 3kcz s ALA 464 N -1.29 2.69 -2.87 5.36 0.00 -0.84 -0.57 121.76 124.25 3kcz s ALA 464 Ca -0.09 -1.71 0.24 0.00 0.00 0.00 0.00 51.96 50.40 3kcz s ALA 464 Cb -0.09 -0.37 0.33 0.00 0.00 0.00 0.00 23.12 22.98 3kcz s ALA 464 CO 0.00 0.37 1.34 -0.40 0.00 0.00 0.00 175.76 177.07 3kcz n ASP 465 N -0.13 2.87 -4.21 0.00 5.68 -1.26 -1.18 116.55 118.31 3kcz n ASP 465 Ca -0.09 -1.94 -0.35 0.00 -0.50 0.00 0.00 54.79 51.91 3kcz n ASP 465 Cb 0.57 -0.03 -0.14 0.00 -1.14 0.00 0.00 41.12 40.38 3kcz n ASP 465 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 3kcz s MET 466 N -1.93 2.90 0.31 0.11 -1.94 -1.26 -4.87 119.30 112.61 3kcz s MET 466 Ca 0.31 -0.94 0.08 0.00 -1.71 0.00 0.00 55.69 53.42 3kcz s MET 466 Cb 0.20 -2.99 0.82 0.00 2.01 0.00 0.00 34.83 34.87 3kcz s MET 466 CO 0.31 -0.38 1.74 0.66 -0.01 0.00 0.00 175.02 177.34 3kcz h SER 467 N 8.03 0.69 1.33 3.03 4.64 -1.69 -1.65 113.55 127.92 3kcz h SER 467 Ca -0.34 0.12 -0.12 0.00 -0.47 0.00 0.00 61.79 60.99 3kcz h SER 467 Cb 1.11 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 3kcz h SER 467 CO 0.58 0.16 -0.69 0.77 -0.87 0.00 0.00 176.83 176.77 3kcz h SER 468 N 0.63 0.00 -0.67 4.97 4.64 -1.88 0.24 113.55 121.50 3kcz h SER 468 Ca 0.61 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.98 3kcz h SER 468 Cb 1.09 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.13 3kcz h SER 468 CO -0.45 0.53 0.38 0.50 -0.87 0.00 0.00 176.83 176.93 3kcz h LYS 469 N 0.00 0.70 -0.07 4.77 3.64 -1.61 0.03 116.57 124.03 3kcz h LYS 469 Ca -0.03 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.11 3kcz h LYS 469 Cb 1.44 -0.16 0.01 0.00 -0.41 0.00 0.00 32.23 33.11 3kcz h LYS 469 CO 0.06 0.46 -0.72 0.77 -2.27 0.00 0.00 179.45 177.75 3kcz h SER 470 N 0.72 0.76 -0.08 4.20 0.02 -1.48 -3.23 113.55 114.45 3kcz h SER 470 Ca 0.29 -0.68 0.02 0.00 -0.84 0.00 0.00 61.79 60.57 3kcz h SER 470 Cb 0.14 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 3kcz h SER 470 CO -0.16 1.33 0.06 0.00 -1.14 0.00 0.00 176.83 176.92 3kcz h ALA 471 N 0.44 2.04 -0.61 3.77 0.00 -0.73 0.13 119.26 124.32 3kcz h ALA 471 Ca -0.07 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.95 3kcz h ALA 471 Cb 1.38 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 3kcz h ALA 471 CO 0.15 -0.06 0.41 -0.91 0.00 0.00 0.00 179.25 178.83 3kcz h ASN 472 N 0.03 0.32 0.00 0.00 2.35 -1.01 -1.74 115.58 115.53 3kcz h ASN 472 Ca 0.04 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3kcz h ASN 472 Cb 0.11 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.43 3kcz h ASN 472 CO -0.00 0.19 0.00 -1.22 -1.65 0.00 0.00 177.43 174.74 3kcz n TYR 473 N -4.46 0.00 0.15 1.19 4.01 0.47 -2.17 117.16 116.35 3kcz n TYR 473 Ca 0.10 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.87 3kcz n TYR 473 Cb 0.42 0.00 0.15 0.00 -0.31 0.00 0.00 39.34 39.60 3kcz n TYR 473 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kcz n PHE 475 N -3.38 -2.15 -0.97 0.00 3.72 -0.92 -4.23 117.46 109.53 3kcz n PHE 475 Ca 0.01 0.81 -0.29 0.00 -0.05 0.00 0.00 57.45 57.92 3kcz n PHE 475 Cb 0.66 -3.72 0.19 0.00 -0.94 0.00 0.00 39.48 35.66 3kcz n PHE 475 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kcz s ALA 476 N -3.23 0.72 0.30 4.37 0.00 -1.26 -5.03 121.76 117.63 3kcz s ALA 476 Ca 0.62 -0.15 -0.18 0.00 0.00 0.00 0.00 51.96 52.24 3kcz s ALA 476 Cb -0.31 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 19.63 3kcz s ALA 476 CO 0.76 -3.00 0.69 -1.54 0.00 0.00 0.00 175.76 172.67 3kcz s SER 477 N -3.13 -0.15 0.38 0.00 1.04 -0.39 -4.96 113.70 106.49 3kcz s SER 477 Ca 0.66 -0.79 0.11 0.00 0.48 0.00 0.00 55.95 56.41 3kcz s SER 477 Cb -0.21 0.73 0.89 0.00 0.10 0.00 0.00 66.02 67.54 3kcz s SER 477 CO 0.59 -1.38 1.87 0.08 0.98 0.00 0.00 173.24 175.38 3kcz h ARG 478 N 2.04 0.59 -0.30 4.02 0.11 -1.97 -1.62 114.38 117.25 3kcz h ARG 478 Ca -0.23 -0.04 -0.08 0.00 0.10 0.00 0.00 59.98 59.73 3kcz h ARG 478 Cb 1.25 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 32.19 3kcz h ARG 478 CO 0.29 0.39 -0.13 -0.07 0.10 0.00 0.00 179.97 180.55 3kcz h LEU 479 N 0.61 0.64 -7.03 0.08 4.07 -2.00 -3.39 115.31 108.28 3kcz h LEU 479 Ca 0.44 -0.40 -0.62 0.00 0.08 0.00 0.00 57.88 57.39 3kcz h LEU 479 Cb 0.81 -0.18 -0.40 0.00 1.08 0.00 0.00 40.66 41.97 3kcz h LEU 479 CO -0.19 0.89 -0.70 -0.54 -1.08 0.00 0.00 178.44 176.82 3kcz s LYS 480 N -4.64 1.65 0.00 1.13 -0.14 -0.67 -4.97 119.74 112.09 3kcz s LYS 480 Ca -0.13 -2.44 0.18 0.00 -1.36 0.00 0.00 55.97 52.22 3kcz s LYS 480 Cb 0.08 -2.68 0.50 0.00 -1.68 0.00 0.00 37.83 34.05 3kcz s LYS 480 CO 0.80 -1.20 1.41 0.27 -0.76 0.00 0.00 175.35 175.87 3kcz n ASN 481 N 3.04 2.86 -4.48 2.83 6.94 -0.84 -1.26 115.26 124.36 3kcz n ASN 481 Ca 0.12 -1.97 -0.35 0.00 -0.02 0.00 0.00 54.58 52.36 3kcz n ASN 481 Cb 0.35 -0.33 -0.12 0.00 -2.36 0.00 0.00 39.78 37.32 3kcz n ASN 481 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3kcz s THR 482 N -1.34 4.08 0.25 5.53 2.01 -1.26 -0.66 115.64 124.24 3kcz s THR 482 Ca 0.36 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.10 3kcz s THR 482 Cb 0.19 -2.84 -0.05 0.00 0.01 0.00 0.00 72.50 69.81 3kcz s THR 482 CO 0.26 0.43 0.09 -0.83 -0.69 0.00 0.00 174.62 173.88 3kcz s GLY 483 N 0.90 1.67 0.11 4.40 0.00 -0.07 -4.96 107.32 109.36 3kcz s GLY 483 Ca 0.01 -1.83 0.09 0.00 0.00 0.00 0.00 44.72 43.00 3kcz s GLY 483 CO 0.02 -1.57 -0.21 1.08 0.00 0.00 0.00 173.10 172.42 3kcz s LEU 484 N -3.29 2.57 -0.01 0.66 1.43 -1.26 -0.15 118.68 118.62 3kcz s LEU 484 Ca 0.37 -0.60 0.04 0.00 -1.03 0.00 0.00 54.13 52.91 3kcz s LEU 484 Cb 0.08 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 3kcz s LEU 484 CO 0.13 0.19 -0.13 -0.76 0.23 0.00 0.00 176.35 176.00 3kcz s LEU 485 N -2.02 2.03 -0.12 1.79 1.43 -0.63 -4.40 118.68 116.76 3kcz s LEU 485 Ca 0.16 -0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 53.00 3kcz s LEU 485 Cb -0.10 -0.68 -0.03 0.00 0.03 0.00 0.00 46.19 45.41 3kcz s LEU 485 CO 0.08 0.16 -0.05 -0.22 0.23 0.00 0.00 176.35 176.55 3kcz s LEU 486 N -0.32 3.20 -0.12 1.79 2.96 -0.33 0.11 118.68 125.97 3kcz s LEU 486 Ca 0.05 -0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 53.84 3kcz s LEU 486 Cb -0.05 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 3kcz s LEU 486 CO -0.00 0.24 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.47 3kcz s LEU 487 N -0.10 3.30 0.02 -0.68 1.43 0.97 -1.04 118.68 122.60 3kcz s LEU 487 Ca 0.02 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 3kcz s LEU 487 Cb -0.13 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 3kcz s LEU 487 CO 0.03 0.25 -0.09 -0.44 0.23 0.00 0.00 176.35 176.33 3kcz s SER 488 N -0.11 0.99 -0.07 2.29 0.01 -0.64 -0.57 113.70 115.59 3kcz s SER 488 Ca 0.03 -0.35 -0.30 0.00 1.31 0.00 0.00 55.95 56.64 3kcz s SER 488 Cb -0.13 -0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.03 3kcz s SER 488 CO 0.02 -0.03 1.08 -1.61 0.41 0.00 0.00 173.24 173.11 3kcz s GLU 489 N -0.89 4.41 -0.19 12.44 2.02 0.15 -1.04 118.70 135.61 3kcz s GLU 489 Ca -0.02 1.52 0.01 0.00 0.02 0.00 0.00 54.97 56.50 3kcz s GLU 489 Cb -0.06 -3.53 0.02 0.00 0.10 0.00 0.00 34.13 30.66 3kcz s GLU 489 CO 0.00 -0.33 -0.19 0.08 0.02 0.00 0.00 175.26 174.84 3kcz s VAL 490 N 1.92 2.04 -1.00 2.63 1.01 0.39 -1.04 120.40 126.35 3kcz s VAL 490 Ca 0.52 -0.98 -0.20 0.00 0.00 0.00 0.00 61.98 61.31 3kcz s VAL 490 Cb -0.21 -1.87 0.09 0.00 0.00 0.00 0.00 36.38 34.39 3kcz s VAL 490 CO 0.21 0.48 1.32 0.00 0.00 0.00 0.00 175.10 177.11 3kcz s ALA 491 N 1.29 3.10 0.25 5.51 0.00 0.59 -1.83 121.76 130.66 3kcz s ALA 491 Ca 0.04 -2.58 0.08 0.00 0.00 0.00 0.00 51.96 49.51 3kcz s ALA 491 Cb -0.14 -4.30 0.27 0.00 0.00 0.00 0.00 23.12 18.96 3kcz s ALA 491 CO -0.12 -3.27 1.56 -0.07 0.00 0.00 0.00 175.76 173.86 3kcz h LEU 492 N 11.55 0.07 0.00 0.00 3.38 -1.65 -3.46 115.31 125.20 3kcz h LEU 492 Ca 0.20 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3kcz h LEU 492 Cb 1.00 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3kcz h LEU 492 CO 1.28 0.71 0.00 0.61 0.09 0.00 0.00 178.44 181.12 3kcz n GLY 493 N 0.36 2.64 3.65 0.83 0.00 -0.23 -3.53 105.19 108.91 3kcz n GLY 493 Ca -0.01 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 3kcz n GLY 493 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kcz s GLN 494 N 0.00 4.19 0.09 1.61 -1.52 -1.26 -4.61 119.66 118.15 3kcz s GLN 494 Ca 0.00 0.80 -0.25 0.00 -1.95 0.00 0.00 55.36 53.95 3kcz s GLN 494 Cb 0.00 -3.62 -0.06 0.00 -0.22 0.00 0.00 33.01 29.11 3kcz s GLN 494 CO 0.00 -0.41 0.77 0.00 -0.25 0.00 0.00 175.29 175.41 3kcz s ASN 496 N -0.43 6.53 -0.13 0.00 2.47 0.55 -4.88 114.94 119.05 3kcz s ASN 496 Ca 0.38 0.35 -0.17 0.00 0.42 0.00 0.00 52.86 53.84 3kcz s ASN 496 Cb -0.21 -2.38 -0.04 0.00 -1.45 0.00 0.00 41.25 37.17 3kcz s ASN 496 CO 0.24 -0.67 0.43 -1.61 -3.72 0.00 0.00 177.10 171.78 3kcz s GLU 497 N 2.96 4.32 0.10 0.43 2.02 -1.26 -1.18 118.70 126.08 3kcz s GLU 497 Ca 0.29 0.36 0.07 0.00 0.02 0.00 0.00 54.97 55.72 3kcz s GLU 497 Cb -0.14 -3.43 -0.03 0.00 0.10 0.00 0.00 34.13 30.63 3kcz s GLU 497 CO 0.15 0.18 -0.18 -0.51 0.02 0.00 0.00 175.26 174.92 3kcz s LEU 498 N 0.57 2.31 -0.10 1.80 1.43 -0.38 -4.95 118.68 119.35 3kcz s LEU 498 Ca 0.24 -0.68 0.15 0.00 -1.03 0.00 0.00 54.13 52.81 3kcz s LEU 498 Cb -0.15 -0.75 -0.23 0.00 0.03 0.00 0.00 46.19 45.10 3kcz s LEU 498 CO 0.09 -0.00 0.18 0.18 0.23 0.00 0.00 176.35 177.03 3kcz n LEU 499 N 1.07 0.00 -4.20 1.79 4.77 -1.26 -0.96 117.00 118.22 3kcz n LEU 499 Ca -0.19 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.66 3kcz n LEU 499 Cb 0.54 0.24 -0.09 0.00 -2.33 0.00 0.00 43.42 41.77 3kcz n LEU 499 CO 0.23 0.24 -0.19 -1.83 -1.33 0.00 0.00 177.39 174.50 3kcz s GLU 500 N -2.71 1.30 0.36 3.23 -1.05 -1.26 -4.46 118.70 114.11 3kcz s GLU 500 Ca -0.07 -1.65 -0.27 0.00 -0.15 0.00 0.00 54.97 52.82 3kcz s GLU 500 Cb 0.07 0.29 -0.12 0.00 -0.44 0.00 0.00 34.13 33.94 3kcz s GLU 500 CO 0.68 -0.44 1.20 0.00 0.95 0.00 0.00 175.26 177.65 3kcz n ALA 501 N -0.32 0.89 -3.19 -0.84 0.00 -1.26 -5.01 120.51 110.78 3kcz n ALA 501 Ca 0.02 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3kcz n ALA 501 Cb 0.65 -2.19 -0.02 0.00 0.00 0.00 0.00 19.45 17.89 3kcz n ALA 501 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3kcz s ASN 502 N -0.46 -1.08 0.66 0.00 3.84 0.57 -5.01 114.94 113.47 3kcz s ASN 502 Ca 0.58 -0.02 0.37 0.00 0.21 0.00 0.00 52.86 54.00 3kcz s ASN 502 Cb -0.57 1.78 2.03 0.00 -0.55 0.00 0.00 41.25 43.94 3kcz s ASN 502 CO 0.60 -0.31 2.15 -0.65 -2.79 0.00 0.00 177.10 176.11 3kcz h PRO 503 N 7.99 0.00 -0.61 0.43 0.11 -1.64 -1.47 132.00 136.80 3kcz h PRO 503 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3kcz h PRO 503 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3kcz h PRO 503 CO 0.18 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.60 3kcz n LYS 504 N -3.02 3.00 0.08 1.05 5.02 -1.26 -2.84 118.16 120.18 3kcz n LYS 504 Ca -0.02 -2.10 0.18 0.00 -2.02 0.00 0.00 58.31 54.35 3kcz n LYS 504 Cb 0.23 -1.72 0.70 0.00 -0.02 0.00 0.00 35.03 34.21 3kcz n LYS 504 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kcz h ALA 505 N 3.73 2.31 -0.40 7.82 0.00 -1.47 -1.64 119.26 129.61 3kcz h ALA 505 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3kcz h ALA 505 Cb 1.13 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3kcz h ALA 505 CO 0.17 -0.49 0.10 1.49 0.00 0.00 0.00 179.25 180.52 3kcz h GLU 506 N 0.00 0.59 0.00 0.00 4.81 -1.80 -0.54 114.58 117.64 3kcz h GLU 506 Ca 0.18 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3kcz h GLU 506 Cb 0.77 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.05 3kcz h GLU 506 CO -0.00 0.53 0.00 0.41 -0.73 0.00 0.00 179.01 179.22 3kcz n GLY 507 N -1.04 -1.26 0.06 1.92 0.00 -0.62 -2.83 105.19 101.42 3kcz n GLY 507 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 3kcz n GLY 507 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kcz n LEU 508 N -1.89 0.49 -0.20 0.99 4.77 -0.21 -4.38 117.00 116.57 3kcz n LEU 508 Ca 0.04 0.05 -0.04 0.00 -0.03 0.00 0.00 56.01 56.02 3kcz n LEU 508 Cb 0.25 -0.26 0.06 0.00 -2.33 0.00 0.00 43.42 41.13 3kcz n LEU 508 CO 0.20 0.11 1.08 -0.07 -1.33 0.00 0.00 177.39 177.38 3kcz h LEU 509 N 0.30 0.56 -2.84 2.23 3.38 -1.57 -3.47 115.31 113.90 3kcz h LEU 509 Ca 0.00 0.01 -0.52 0.00 0.09 0.00 0.00 57.88 57.46 3kcz h LEU 509 Cb 0.48 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3kcz h LEU 509 CO 0.00 0.39 -0.95 0.00 0.09 0.00 0.00 178.44 177.97 3kcz n GLN 510 N -4.76 -1.56 0.00 1.13 1.13 -1.26 -1.46 117.38 110.60 3kcz n GLN 510 Ca 0.05 0.29 0.00 0.00 -1.94 0.00 0.00 57.00 55.40 3kcz n GLN 510 Cb 0.09 -3.76 0.00 0.00 0.11 0.00 0.00 30.24 26.68 3kcz n GLN 510 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kcz n GLY 511 N -2.01 3.18 3.64 1.08 0.00 -1.26 -5.05 105.19 104.77 3kcz n GLY 511 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 3kcz n GLY 511 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcz s LYS 512 N -0.47 0.48 -0.00 1.61 1.02 -0.53 -4.99 119.74 116.86 3kcz s LYS 512 Ca 0.00 0.96 0.12 0.00 0.02 0.00 0.00 55.97 57.07 3kcz s LYS 512 Cb 0.00 -1.71 -0.14 0.00 -0.52 0.00 0.00 37.83 35.47 3kcz s LYS 512 CO 0.00 -2.81 0.46 0.72 -0.92 0.00 0.00 175.35 172.80 3kcz n HIS 513 N -4.29 0.00 -3.54 3.18 8.25 -0.11 -4.87 115.22 113.84 3kcz n HIS 513 Ca 0.07 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.41 3kcz n HIS 513 Cb 0.54 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 31.58 3kcz n HIS 513 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3kcz s SER 514 N -2.29 -0.40 -0.11 0.41 1.04 -1.15 -4.54 113.70 106.66 3kcz s SER 514 Ca 0.03 -0.14 -0.03 0.00 0.48 0.00 0.00 55.95 56.29 3kcz s SER 514 Cb 0.09 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.70 3kcz s SER 514 CO 0.48 -0.89 0.01 -0.89 0.98 0.00 0.00 173.24 172.93 3kcz s THR 515 N -3.65 4.35 -0.26 2.02 2.01 -0.34 -0.33 115.64 119.43 3kcz s THR 515 Ca 0.01 -0.22 0.01 0.00 0.31 0.00 0.00 61.69 61.80 3kcz s THR 515 Cb 0.00 -2.87 0.05 0.00 0.01 0.00 0.00 72.50 69.70 3kcz s THR 515 CO -0.11 0.56 -0.08 -0.75 -0.69 0.00 0.00 174.62 173.55 3kcz s LYS 516 N -0.48 2.47 -0.19 4.92 2.20 -0.32 -0.69 119.74 127.66 3kcz s LYS 516 Ca 0.09 -1.21 -0.29 0.00 -0.36 0.00 0.00 55.97 54.20 3kcz s LYS 516 Cb -0.12 -2.96 -0.01 0.00 -1.51 0.00 0.00 37.83 33.23 3kcz s LYS 516 CO 0.02 -0.52 1.25 0.20 -0.36 0.00 0.00 175.35 175.94 3kcz s GLY 517 N 1.20 1.62 -0.10 5.54 0.00 0.18 -1.25 107.32 114.51 3kcz s GLY 517 Ca -0.05 0.39 -0.28 0.00 0.00 0.00 0.00 44.72 44.78 3kcz s GLY 517 CO -0.04 2.48 0.91 1.08 0.00 0.00 0.00 173.10 177.53 3kcz s LEU 518 N 3.58 4.25 0.35 0.66 1.43 -0.13 -1.07 118.68 127.75 3kcz s LEU 518 Ca 0.54 1.40 0.05 0.00 -1.03 0.00 0.00 54.13 55.09 3kcz s LEU 518 Cb -0.20 -3.40 -0.01 0.00 0.03 0.00 0.00 46.19 42.60 3kcz s LEU 518 CO 0.15 -0.36 0.50 -0.83 0.23 0.00 0.00 176.35 176.04 3kcz s GLY 519 N 1.06 1.52 0.34 -3.19 0.00 -1.26 -4.12 107.32 101.67 3kcz s GLY 519 Ca 0.44 -1.31 0.18 0.00 0.00 0.00 0.00 44.72 44.04 3kcz s GLY 519 CO 0.18 -1.22 1.59 0.50 0.00 0.00 0.00 173.10 174.15 3kcz h LYS 520 N 0.82 0.00 -4.66 2.90 1.57 -0.63 -3.44 116.57 113.13 3kcz h LYS 520 Ca -0.47 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 57.90 3kcz h LYS 520 Cb 1.25 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.26 3kcz h LYS 520 CO 0.55 0.41 -0.78 -1.64 -0.57 0.00 0.00 179.45 177.42 3kcz s MET 521 N -3.25 0.85 -0.04 3.15 -1.94 -0.78 -0.81 119.30 116.48 3kcz s MET 521 Ca 0.02 -0.31 -0.30 0.00 -1.71 0.00 0.00 55.69 53.39 3kcz s MET 521 Cb 0.09 -0.81 0.08 0.00 2.01 0.00 0.00 34.83 36.20 3kcz s MET 521 CO 0.71 0.15 0.72 0.00 -0.01 0.00 0.00 175.02 176.59 3kcz s ALA 522 N 0.01 -1.77 0.60 3.03 0.00 -0.56 -4.19 121.76 118.87 3kcz s ALA 522 Ca 0.00 1.24 -0.18 0.00 0.00 0.00 0.00 51.96 53.02 3kcz s ALA 522 Cb -0.06 0.02 -0.06 0.00 0.00 0.00 0.00 23.12 23.02 3kcz s ALA 522 CO 0.00 -0.42 0.76 -2.30 0.00 0.00 0.00 175.76 173.79 3kcz n PRO 523 N 0.68 0.68 -4.25 0.00 -0.02 -1.26 -0.59 135.00 130.23 3kcz n PRO 523 Ca -0.17 0.27 -0.27 0.00 -2.02 0.00 0.00 63.50 61.31 3kcz n PRO 523 Cb 0.58 -1.95 -0.09 0.00 -0.02 0.00 0.00 33.50 32.02 3kcz n PRO 523 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kcz s SER 524 N -1.25 4.43 0.61 2.55 1.04 -1.26 -4.84 113.70 114.97 3kcz s SER 524 Ca 0.73 -0.49 0.37 0.00 0.48 0.00 0.00 55.95 57.04 3kcz s SER 524 Cb -0.42 -0.82 1.94 0.00 0.10 0.00 0.00 66.02 66.82 3kcz s SER 524 CO 0.50 0.11 2.22 0.77 0.98 0.00 0.00 173.24 177.82 3kcz h SER 525 N 2.97 0.00 -0.88 7.02 4.64 -1.95 -1.90 113.55 123.44 3kcz h SER 525 Ca -0.47 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 60.98 3kcz h SER 525 Cb 1.20 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.22 3kcz h SER 525 CO 0.55 0.03 0.57 0.00 -0.87 0.00 0.00 176.83 177.10 3kcz h ALA 526 N 1.97 1.81 -0.43 5.18 0.00 -1.97 -2.65 119.26 123.18 3kcz h ALA 526 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kcz h ALA 526 Cb 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kcz h ALA 526 CO 0.00 -0.04 0.00 0.72 0.00 0.00 0.00 179.25 179.93 3kcz n HIS 527 N -4.55 0.55 -2.37 0.00 -0.00 -0.72 -4.97 115.22 103.16 3kcz n HIS 527 Ca 0.17 -0.28 -0.39 0.00 -0.00 0.00 0.00 57.72 57.22 3kcz n HIS 527 Cb 0.44 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.40 3kcz n HIS 527 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3kcz s PHE 528 N -1.45 3.27 0.36 4.41 0.40 -1.00 -4.20 117.98 119.76 3kcz s PHE 528 Ca 0.40 1.60 0.08 0.00 -0.60 0.00 0.00 56.93 58.41 3kcz s PHE 528 Cb 0.23 -3.35 -0.07 0.00 0.51 0.00 0.00 43.02 40.34 3kcz s PHE 528 CO 0.32 -1.02 -0.05 0.14 0.70 0.00 0.00 175.22 175.31 3kcz s VAL 529 N -1.34 2.02 -0.10 -0.44 -7.23 -0.93 -4.98 120.40 107.39 3kcz s VAL 529 Ca 0.52 -2.12 -0.00 0.00 -1.81 0.00 0.00 61.98 58.57 3kcz s VAL 529 Cb -0.31 -2.74 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 3kcz s VAL 529 CO 0.39 -0.14 -0.07 -0.89 -0.31 0.00 0.00 175.10 174.09 3kcz s THR 530 N -2.74 3.66 -0.25 5.32 2.01 -1.26 -0.12 115.64 122.26 3kcz s THR 530 Ca 0.33 -0.47 -0.01 0.00 0.31 0.00 0.00 61.69 61.85 3kcz s THR 530 Cb 0.05 -2.53 0.08 0.00 0.01 0.00 0.00 72.50 70.11 3kcz s THR 530 CO 0.16 0.56 0.04 -0.22 -0.69 0.00 0.00 174.62 174.48 3kcz s LEU 531 N -0.38 1.93 -1.46 4.42 2.96 0.21 -4.84 118.68 121.53 3kcz s LEU 531 Ca 0.05 -1.23 -0.08 0.00 -0.22 0.00 0.00 54.13 52.65 3kcz s LEU 531 Cb -0.12 -0.84 0.05 0.00 0.50 0.00 0.00 46.19 45.79 3kcz s LEU 531 CO 0.02 -0.34 0.85 0.59 -1.32 0.00 0.00 176.35 176.16 3kcz n ASN 532 N 4.88 -3.27 0.00 3.68 3.02 -1.26 -2.11 115.26 120.20 3kcz n ASN 532 Ca -0.07 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 3kcz n ASN 532 Cb 0.44 -3.86 0.00 0.00 -0.61 0.00 0.00 39.78 35.75 3kcz n ASN 532 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kcz n GLY 533 N -1.67 0.76 3.36 7.41 0.00 -1.26 -5.05 105.19 108.74 3kcz n GLY 533 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 3kcz n GLY 533 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kcz s SER 534 N -2.59 3.26 0.06 1.61 0.01 -0.90 -4.86 113.70 110.30 3kcz s SER 534 Ca 0.00 -0.55 -0.30 0.00 1.31 0.00 0.00 55.95 56.41 3kcz s SER 534 Cb 0.00 -0.35 -0.05 0.00 0.21 0.00 0.00 66.02 65.84 3kcz s SER 534 CO 0.00 0.27 1.02 -0.89 0.41 0.00 0.00 173.24 174.04 3kcz s THR 535 N -0.80 4.56 -0.32 1.44 2.01 -0.22 -0.62 115.64 121.69 3kcz s THR 535 Ca 0.12 1.94 -0.08 0.00 0.31 0.00 0.00 61.69 63.98 3kcz s THR 535 Cb -0.10 -4.24 0.02 0.00 0.01 0.00 0.00 72.50 68.18 3kcz s THR 535 CO 0.02 0.21 0.13 -0.69 -0.69 0.00 0.00 174.62 173.60 3kcz s VAL 536 N 0.62 4.19 -1.34 3.82 1.01 0.82 -0.54 120.40 128.99 3kcz s VAL 536 Ca 0.51 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.65 3kcz s VAL 536 Cb -0.24 -3.23 0.12 0.00 0.00 0.00 0.00 36.38 33.03 3kcz s VAL 536 CO 0.29 -0.04 2.12 -0.81 0.00 0.00 0.00 175.10 176.67 3kcz n PRO 537 N 4.91 3.77 -1.57 2.72 -0.04 -1.26 -2.20 135.00 141.33 3kcz n PRO 537 Ca -0.13 -3.30 -0.41 0.00 -0.04 0.00 0.00 63.50 59.62 3kcz n PRO 537 Cb 0.47 -2.89 0.02 0.00 -0.04 0.00 0.00 33.50 31.06 3kcz n PRO 537 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3kcz n LEU 538 N 3.59 2.02 0.00 1.53 4.77 -1.26 -4.75 117.00 122.89 3kcz n LEU 538 Ca 0.50 0.96 -0.06 0.00 -0.03 0.00 0.00 56.01 57.38 3kcz n LEU 538 Cb 0.33 -1.29 0.04 0.00 -2.33 0.00 0.00 43.42 40.17 3kcz n LEU 538 CO 0.80 -1.95 0.17 0.61 -1.33 0.00 0.00 177.39 175.69 3kcz n GLY 539 N 1.37 -0.99 3.86 -0.72 0.00 -1.26 -4.38 105.19 103.07 3kcz n GLY 539 Ca 0.11 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 3kcz n GLY 539 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kcz s PRO 540 N -3.50 3.16 0.50 1.61 0.04 -1.26 -4.93 135.00 130.61 3kcz s PRO 540 Ca 0.15 0.73 -0.21 0.00 0.04 0.00 0.00 61.00 61.70 3kcz s PRO 540 Cb -0.00 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 3kcz s PRO 540 CO 0.10 -0.88 1.15 0.00 0.04 0.00 0.00 177.00 177.41 3kcz s ALA 541 N -3.18 2.84 0.20 8.56 0.00 -1.26 -4.26 121.76 124.65 3kcz s ALA 541 Ca 0.57 0.88 -0.07 0.00 0.00 0.00 0.00 51.96 53.34 3kcz s ALA 541 Cb -0.12 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 3kcz s ALA 541 CO 0.54 -0.70 0.27 -1.54 0.00 0.00 0.00 175.76 174.33 3kcz s SER 542 N -1.56 0.06 0.14 0.00 1.04 0.24 -4.79 113.70 108.84 3kcz s SER 542 Ca 0.68 -1.10 -0.35 0.00 0.48 0.00 0.00 55.95 55.66 3kcz s SER 542 Cb -0.26 0.45 -0.15 0.00 0.10 0.00 0.00 66.02 66.16 3kcz s SER 542 CO 0.31 -0.94 1.51 -0.67 0.98 0.00 0.00 173.24 174.44 3kcz n ASP 543 N -0.28 2.72 -0.34 7.02 -0.08 -1.26 -1.49 116.55 122.84 3kcz n ASP 543 Ca -0.02 1.09 0.13 0.00 -1.51 0.00 0.00 54.79 54.48 3kcz n ASP 543 Cb 0.64 -1.37 0.29 0.00 2.34 0.00 0.00 41.12 43.02 3kcz n ASP 543 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3kcz n THR 544 N 3.17 0.00 -1.05 5.18 -2.24 0.01 -4.88 114.28 114.47 3kcz n THR 544 Ca 0.17 -0.18 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 3kcz n THR 544 Cb 0.26 0.64 -0.01 0.00 -2.10 0.00 0.00 70.33 69.12 3kcz n THR 544 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kcz n GLY 545 N 1.35 0.49 3.62 3.38 0.00 -1.26 -5.01 105.19 107.76 3kcz n GLY 545 Ca 0.12 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 3kcz n GLY 545 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kcz s ILE 546 N -1.85 4.51 -0.28 -0.61 1.01 -1.26 -5.17 121.20 117.56 3kcz s ILE 546 Ca 0.00 -0.14 -0.26 0.00 0.00 0.00 0.00 60.65 60.25 3kcz s ILE 546 Cb 0.00 -2.99 0.16 0.00 0.01 0.00 0.00 42.46 39.64 3kcz s ILE 546 CO 0.00 0.51 1.23 -0.22 0.00 0.00 0.00 174.94 176.46 3kcz s LEU 547 N 0.04 -0.24 0.00 2.97 0.20 -1.26 -4.57 118.68 115.82 3kcz s LEU 547 Ca 0.04 0.42 0.00 0.00 0.69 0.00 0.00 54.13 55.28 3kcz s LEU 547 Cb -0.13 1.48 0.00 0.00 -0.43 0.00 0.00 46.19 47.12 3kcz s LEU 547 CO 0.01 -0.10 0.00 0.61 -0.29 0.00 0.00 176.35 176.58 3kcz n GLY 551 N 1.64 0.00 3.74 7.98 0.00 -1.26 -5.14 105.19 112.15 3kcz n GLY 551 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 3kcz n GLY 551 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kcz s TYR 552 N 0.00 2.20 0.02 1.61 2.02 -1.26 -5.04 117.35 116.90 3kcz s TYR 552 Ca 0.00 1.42 0.03 0.00 -0.37 0.00 0.00 57.07 58.16 3kcz s TYR 552 Cb 0.00 -3.74 -0.01 0.00 -0.40 0.00 0.00 41.96 37.80 3kcz s TYR 552 CO 0.00 -2.89 -0.10 0.95 -1.57 0.00 0.00 175.55 171.94 3kcz s THR 553 N -1.35 0.77 0.40 -0.71 -4.23 -1.26 -4.82 115.64 104.43 3kcz s THR 553 Ca 0.77 -0.67 -0.26 0.00 -1.18 0.00 0.00 61.69 60.34 3kcz s THR 553 Cb -0.39 -0.70 -0.10 0.00 1.34 0.00 0.00 72.50 72.65 3kcz s THR 553 CO 0.44 0.03 1.28 0.18 -0.54 0.00 0.00 174.62 176.01 3kcz n LEU 554 N 2.34 3.93 -0.09 4.79 4.77 -1.26 -4.89 117.00 126.59 3kcz n LEU 554 Ca -0.16 1.14 -0.13 0.00 -0.03 0.00 0.00 56.01 56.83 3kcz n LEU 554 Cb 0.56 -1.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.11 3kcz n LEU 554 CO 0.24 -0.57 0.58 0.78 -1.33 0.00 0.00 177.39 177.08 3kcz h ASN 555 N 2.24 0.72 -4.60 -1.43 2.35 -1.93 -0.88 115.58 112.05 3kcz h ASN 555 Ca -0.47 -0.47 -0.28 0.00 -0.55 0.00 0.00 56.30 54.53 3kcz h ASN 555 Cb 1.29 -0.20 -0.18 0.00 0.05 0.00 0.00 38.32 39.27 3kcz h ASN 555 CO 0.61 1.04 -0.73 -0.31 -1.65 0.00 0.00 177.43 176.39 3kcz s TYR 556 N -4.37 0.87 0.80 1.19 2.02 -1.26 -1.87 117.35 114.73 3kcz s TYR 556 Ca -0.12 -0.66 -0.14 0.00 -0.37 0.00 0.00 57.07 55.78 3kcz s TYR 556 Cb 0.08 -0.50 0.03 0.00 -0.40 0.00 0.00 41.96 41.18 3kcz s TYR 556 CO 0.82 -0.07 0.85 0.09 -1.57 0.00 0.00 175.55 175.67 3kcz n ASN 557 N 0.78 -0.21 -3.84 2.29 3.02 -1.26 -4.19 115.26 111.85 3kcz n ASN 557 Ca -0.18 0.55 -0.12 0.00 -0.03 0.00 0.00 54.58 54.80 3kcz n ASN 557 Cb 0.57 -1.36 -0.10 0.00 -0.61 0.00 0.00 39.78 38.28 3kcz n ASN 557 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3kcz s GLU 558 N -3.57 0.53 -0.05 3.52 -1.05 -0.23 -4.54 118.70 113.32 3kcz s GLU 558 Ca 0.68 -0.33 0.05 0.00 -0.15 0.00 0.00 54.97 55.22 3kcz s GLU 558 Cb -0.30 0.23 -0.01 0.00 -0.44 0.00 0.00 34.13 33.61 3kcz s GLU 558 CO 0.56 -0.13 -0.21 0.71 0.95 0.00 0.00 175.26 177.14 3kcz s TYR 559 N -1.35 2.03 -0.08 4.83 2.02 0.26 0.52 117.35 125.59 3kcz s TYR 559 Ca -0.14 -0.58 0.01 0.00 -0.37 0.00 0.00 57.07 55.99 3kcz s TYR 559 Cb -0.07 -1.34 0.02 0.00 -0.40 0.00 0.00 41.96 40.17 3kcz s TYR 559 CO 0.02 -0.18 -0.09 0.42 -1.57 0.00 0.00 175.55 174.15 3kcz s ILE 560 N -0.08 0.99 0.13 2.71 1.09 0.13 -0.62 121.20 125.56 3kcz s ILE 560 Ca -0.03 -0.35 0.08 0.00 -1.10 0.00 0.00 60.65 59.26 3kcz s ILE 560 Cb -0.12 -0.95 -0.04 0.00 -1.06 0.00 0.00 42.46 40.28 3kcz s ILE 560 CO 0.03 0.34 -0.13 0.68 -0.10 0.00 0.00 174.94 175.75 3kcz s VAL 561 N 1.06 3.10 -0.81 2.92 -7.23 -1.00 -1.20 120.40 117.24 3kcz s VAL 561 Ca -0.07 -1.49 0.09 0.00 -1.81 0.00 0.00 61.98 58.70 3kcz s VAL 561 Cb -0.14 -2.47 0.26 0.00 0.56 0.00 0.00 36.38 34.58 3kcz s VAL 561 CO -0.01 0.03 1.20 -1.22 -0.31 0.00 0.00 175.10 174.80 3kcz n TYR 562 N 0.52 0.38 -3.92 2.82 4.01 -1.26 -0.29 117.16 119.43 3kcz n TYR 562 Ca -0.13 -0.48 -0.16 0.00 -0.16 0.00 0.00 57.90 56.96 3kcz n TYR 562 Cb 0.53 -0.03 -0.16 0.00 -0.31 0.00 0.00 39.34 39.38 3kcz n TYR 562 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3kcz s ASN 563 N -0.99 0.32 0.39 7.72 3.84 -1.26 -4.95 114.94 120.00 3kcz s ASN 563 Ca 0.20 -0.02 0.28 0.00 0.21 0.00 0.00 52.86 53.52 3kcz s ASN 563 Cb 0.10 -0.15 1.31 0.00 -0.55 0.00 0.00 41.25 41.96 3kcz s ASN 563 CO 0.13 -0.08 1.84 -0.65 -2.79 0.00 0.00 177.10 175.55 3kcz h PRO 564 N 7.02 0.00 0.00 0.43 0.11 -1.91 -1.59 132.00 136.05 3kcz h PRO 564 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3kcz h PRO 564 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3kcz h PRO 564 CO 0.48 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.54 3kcz n ASN 565 N -2.51 0.00 -1.07 -2.05 6.94 -1.26 -1.79 115.26 113.52 3kcz n ASN 565 Ca 0.00 -0.80 0.09 0.00 -0.02 0.00 0.00 54.58 53.85 3kcz n ASN 565 Cb 0.16 0.00 0.25 0.00 -2.36 0.00 0.00 39.78 37.84 3kcz n ASN 565 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kcz n GLN 566 N -0.94 2.36 -4.63 -3.83 6.02 -0.60 -0.43 117.38 115.33 3kcz n GLN 566 Ca 0.15 -2.07 -0.24 0.00 -0.01 0.00 0.00 57.00 54.84 3kcz n GLN 566 Cb 0.07 -1.46 -0.16 0.00 1.02 0.00 0.00 30.24 29.71 3kcz n GLN 566 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3kcz s VAL 567 N -1.26 1.14 -0.23 5.09 1.01 -0.74 -0.30 120.40 125.11 3kcz s VAL 567 Ca 0.38 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 3kcz s VAL 567 Cb 0.20 -1.00 0.07 0.00 0.00 0.00 0.00 36.38 35.66 3kcz s VAL 567 CO 0.26 0.34 0.05 -0.60 0.00 0.00 0.00 175.10 175.15 3kcz s ARG 568 N 0.19 0.68 0.43 2.72 3.52 -0.21 -4.85 118.95 121.42 3kcz s ARG 568 Ca -0.05 -0.62 -0.26 0.00 -0.13 0.00 0.00 55.73 54.67 3kcz s ARG 568 Cb -0.11 -2.04 -0.09 0.00 -1.56 0.00 0.00 34.95 31.16 3kcz s ARG 568 CO 0.02 -0.75 1.38 -1.64 -0.81 0.00 0.00 175.30 173.49 3kcz s MET 569 N 1.79 3.83 0.00 5.12 -1.94 -1.26 -0.67 119.30 126.17 3kcz s MET 569 Ca 0.02 2.31 0.00 0.00 -1.71 0.00 0.00 55.69 56.31 3kcz s MET 569 Cb -0.17 -2.72 0.00 0.00 2.01 0.00 0.00 34.83 33.95 3kcz s MET 569 CO -0.14 -0.66 0.00 -2.13 -0.01 0.00 0.00 175.02 172.08 3kcz n ARG 570 N -0.02 0.00 -3.94 2.03 3.00 0.26 -4.57 116.66 113.42 3kcz n ARG 570 Ca 0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.77 3kcz n ARG 570 Cb 0.42 -0.61 -0.14 0.00 0.00 0.00 0.00 32.46 32.13 3kcz n ARG 570 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 3kcz s TYR 571 N -1.35 0.14 -0.21 -0.14 2.02 -0.48 -0.16 117.35 117.16 3kcz s TYR 571 Ca 0.00 -0.10 -0.01 0.00 -0.37 0.00 0.00 57.07 56.59 3kcz s TYR 571 Cb 0.00 -0.09 0.02 0.00 -0.40 0.00 0.00 41.96 41.49 3kcz s TYR 571 CO 0.00 -0.03 -0.12 -1.17 -1.57 0.00 0.00 175.55 172.66 3kcz s LEU 572 N -0.26 2.69 -0.20 -1.29 2.96 0.20 -0.02 118.68 122.75 3kcz s LEU 572 Ca -0.02 -0.72 -0.10 0.00 -0.22 0.00 0.00 54.13 53.07 3kcz s LEU 572 Cb -0.02 -1.59 -0.05 0.00 0.50 0.00 0.00 46.19 45.03 3kcz s LEU 572 CO -0.00 -0.05 0.13 -0.76 -1.32 0.00 0.00 176.35 174.35 3kcz s LEU 573 N 1.32 4.20 -0.30 -0.68 1.02 0.12 -0.71 118.68 123.65 3kcz s LEU 573 Ca 0.03 0.22 -0.16 0.00 0.02 0.00 0.00 54.13 54.24 3kcz s LEU 573 Cb -0.15 -2.09 -0.03 0.00 0.02 0.00 0.00 46.19 43.94 3kcz s LEU 573 CO -0.08 0.17 0.41 -0.75 0.02 0.00 0.00 176.35 176.12 3kcz s LYS 574 N 0.41 3.87 -0.05 1.70 2.20 -0.15 -1.60 119.74 126.12 3kcz s LYS 574 Ca 0.08 -0.06 0.06 0.00 -0.36 0.00 0.00 55.97 55.69 3kcz s LYS 574 Cb -0.11 -3.71 -0.01 0.00 -1.51 0.00 0.00 37.83 32.49 3kcz s LYS 574 CO -0.02 -0.39 -0.23 0.08 -0.36 0.00 0.00 175.35 174.43 3kcz s VAL 575 N 2.13 1.90 -0.23 4.02 1.01 0.78 -0.17 120.40 129.85 3kcz s VAL 575 Ca 0.15 -0.98 -0.14 0.00 0.00 0.00 0.00 61.98 61.01 3kcz s VAL 575 Cb -0.16 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3kcz s VAL 575 CO 0.11 0.53 0.31 -1.58 0.00 0.00 0.00 175.10 174.47 3kcz s GLN 576 N -0.14 4.11 -0.20 2.72 0.74 0.21 -0.89 119.66 126.22 3kcz s GLN 576 Ca -0.03 0.01 -0.16 0.00 0.05 0.00 0.00 55.36 55.23 3kcz s GLN 576 Cb -0.13 -3.56 -0.04 0.00 1.10 0.00 0.00 33.01 30.38 3kcz s GLN 576 CO 0.03 -0.05 0.42 -0.06 -0.55 0.00 0.00 175.29 175.08 3kcz s PHE 577 N 1.35 3.38 -0.48 1.67 0.08 0.17 -0.14 117.98 124.01 3kcz s PHE 577 Ca 0.14 0.65 -0.09 0.00 0.12 0.00 0.00 56.93 57.76 3kcz s PHE 577 Cb -0.15 -2.55 0.12 0.00 -0.57 0.00 0.00 43.02 39.88 3kcz s PHE 577 CO 0.07 -0.01 0.35 -0.80 -0.10 0.00 0.00 175.22 174.73 3kcz s ASN 578 N 1.03 5.70 0.00 1.36 0.01 0.15 -4.86 114.94 118.33 3kcz s ASN 578 Ca 0.20 -1.94 0.29 0.00 -0.71 0.00 0.00 52.86 50.69 3kcz s ASN 578 Cb -0.15 -2.01 1.17 0.00 0.41 0.00 0.00 41.25 40.67 3kcz s ASN 578 CO 0.08 -0.69 1.81 0.49 -1.51 0.00 0.00 177.10 177.29