#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iuy s THR 213 N 0.00 2.37 -0.04 1.12 -4.23 -0.18 -4.95 115.64 109.74 3iuy s THR 213 Ca 0.00 -1.70 -0.01 0.00 -1.18 0.00 0.00 61.69 58.80 3iuy s THR 213 Cb 0.00 -2.05 0.03 0.00 1.34 0.00 0.00 72.50 71.81 3iuy s THR 213 CO 0.00 0.10 0.03 0.00 -0.54 0.00 0.00 174.62 174.21 3iuy s ASP 215 N 1.68 2.57 -0.29 0.00 1.01 -0.82 -5.00 116.67 115.82 3iuy s ASP 215 Ca -0.01 -1.03 -0.12 0.00 0.71 0.00 0.00 52.55 52.10 3iuy s ASP 215 Cb -0.13 -0.14 -0.04 0.00 1.01 0.00 0.00 42.92 43.63 3iuy s ASP 215 CO -0.03 -0.18 0.25 -0.62 0.21 0.00 0.00 175.17 174.80 3iuy s ASP 216 N -3.32 6.09 0.00 0.27 -1.08 -1.26 -2.11 116.67 115.26 3iuy s ASP 216 Ca 0.23 0.02 0.21 0.00 -0.52 0.00 0.00 52.55 52.48 3iuy s ASP 216 Cb -0.01 -2.15 -0.07 0.00 -1.46 0.00 0.00 42.92 39.23 3iuy s ASP 216 CO 0.07 -0.12 1.00 0.18 0.52 0.00 0.00 175.17 176.82 3iuy n LEU 217 N 5.15 1.68 -4.53 -1.34 4.77 -0.69 -4.98 117.00 117.06 3iuy n LEU 217 Ca -0.12 -0.68 -0.43 0.00 -0.03 0.00 0.00 56.01 54.74 3iuy n LEU 217 Cb 0.51 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3iuy n LEU 217 CO 0.35 0.33 0.36 1.17 -1.33 0.00 0.00 177.39 178.27 3iuy n LYS 218 N -0.46 0.98 -2.44 3.23 4.81 -1.21 -4.84 118.16 118.23 3iuy n LYS 218 Ca 0.07 0.35 -0.33 0.00 -0.87 0.00 0.00 58.31 57.53 3iuy n LYS 218 Cb 0.41 -1.70 -0.03 0.00 0.02 0.00 0.00 35.03 33.73 3iuy n LYS 218 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3iuy s SER 219 N -0.76 6.50 0.63 3.14 1.04 -1.26 -4.78 113.70 118.21 3iuy s SER 219 Ca 0.61 1.69 0.00 0.00 0.48 0.00 0.00 55.95 58.73 3iuy s SER 219 Cb -0.66 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 62.93 3iuy s SER 219 CO 0.58 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.74 3iuy n GLY 220 N -1.10 1.60 3.71 7.32 0.00 -1.26 -4.87 105.19 110.58 3iuy n GLY 220 Ca 0.07 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 3iuy n GLY 220 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3iuy s GLU 221 N 0.00 4.22 0.09 1.61 2.56 -1.26 -4.99 118.70 120.93 3iuy s GLU 221 Ca 0.00 2.32 -0.22 0.00 0.00 0.00 0.00 54.97 57.07 3iuy s GLU 221 Cb 0.00 -3.32 -0.07 0.00 2.00 0.00 0.00 34.13 32.74 3iuy s GLU 221 CO 0.00 -0.64 0.65 0.15 -0.56 0.00 0.00 175.26 174.87 3iuy s LYS 222 N 1.66 4.36 0.19 4.30 -0.14 -1.26 -4.97 119.74 123.88 3iuy s LYS 222 Ca 0.71 0.89 -0.04 0.00 -1.36 0.00 0.00 55.97 56.17 3iuy s LYS 222 Cb -0.42 -3.27 -0.05 0.00 -1.68 0.00 0.00 37.83 32.41 3iuy s LYS 222 CO 0.31 0.55 0.42 1.03 -0.76 0.00 0.00 175.35 176.91 3iuy s ARG 223 N -0.89 3.61 0.30 1.68 0.52 -1.26 -5.07 118.95 117.85 3iuy s ARG 223 Ca 0.32 -0.10 -0.29 0.00 -0.52 0.00 0.00 55.73 55.14 3iuy s ARG 223 Cb -0.20 -2.79 -0.11 0.00 0.52 0.00 0.00 34.95 32.36 3iuy s ARG 223 CO 0.21 0.40 1.53 -0.51 0.02 0.00 0.00 175.30 176.95 3iuy s LEU 224 N -2.97 4.35 -0.21 2.53 1.43 -1.26 -4.83 118.68 117.72 3iuy s LEU 224 Ca 0.41 2.91 -0.29 0.00 -1.03 0.00 0.00 54.13 56.13 3iuy s LEU 224 Cb -0.12 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 3iuy s LEU 224 CO 0.26 -0.85 1.59 -0.63 0.23 0.00 0.00 176.35 176.96 3iuy s ILE 225 N -0.30 3.73 0.48 -0.59 -1.09 -1.26 -4.96 121.20 117.21 3iuy s ILE 225 Ca 0.60 0.83 -0.21 0.00 -2.23 0.00 0.00 60.65 59.63 3iuy s ILE 225 Cb -0.46 -3.72 -0.10 0.00 -1.58 0.00 0.00 42.46 36.60 3iuy s ILE 225 CO 0.51 -0.28 0.72 -2.65 -1.23 0.00 0.00 174.94 172.01 3iuy n PRO 226 N 7.56 0.81 -2.36 2.79 -0.02 -1.26 -4.87 135.00 137.65 3iuy n PRO 226 Ca 0.18 0.30 -0.42 0.00 -2.02 0.00 0.00 63.50 61.55 3iuy n PRO 226 Cb 0.45 -1.79 -0.03 0.00 -0.02 0.00 0.00 33.50 32.11 3iuy n PRO 226 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3iuy s LYS 227 N -1.99 4.45 0.25 -0.52 2.47 -1.26 -4.92 119.74 118.23 3iuy s LYS 227 Ca 0.66 1.88 -0.31 0.00 -1.56 0.00 0.00 55.97 56.64 3iuy s LYS 227 Cb -0.52 -3.27 -0.12 0.00 -1.46 0.00 0.00 37.83 32.46 3iuy s LYS 227 CO 0.55 -0.18 1.57 -2.30 0.16 0.00 0.00 175.35 175.15 3iuy n PRO 228 N 3.07 2.49 -3.23 4.03 -0.02 -1.26 -4.81 135.00 135.26 3iuy n PRO 228 Ca 0.06 0.89 -0.46 0.00 -2.02 0.00 0.00 63.50 61.98 3iuy n PRO 228 Cb 0.45 -2.65 -0.03 0.00 -0.02 0.00 0.00 33.50 31.24 3iuy n PRO 228 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3iuy s THR 229 N 0.27 5.23 -1.87 3.45 -4.23 0.10 -4.92 115.64 113.68 3iuy s THR 229 Ca 0.68 -1.79 0.30 0.00 -1.18 0.00 0.00 61.69 59.70 3iuy s THR 229 Cb -0.55 -4.47 0.61 0.00 1.34 0.00 0.00 72.50 69.42 3iuy s THR 229 CO 0.45 -1.06 1.96 0.00 -0.54 0.00 0.00 174.62 175.43 3iuy s ARG 231 N -2.27 0.69 0.44 0.00 0.52 -1.26 -4.28 118.95 112.80 3iuy s ARG 231 Ca 0.36 -0.73 0.17 0.00 -0.52 0.00 0.00 55.73 55.00 3iuy s ARG 231 Cb 0.21 -0.61 1.10 0.00 0.52 0.00 0.00 34.95 36.17 3iuy s ARG 231 CO 0.42 0.14 1.95 0.74 0.02 0.00 0.00 175.30 178.57 3iuy h PHE 232 N 4.76 0.40 -0.31 -0.53 0.04 -1.86 -0.94 116.94 118.51 3iuy h PHE 232 Ca -0.37 0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.49 3iuy h PHE 232 Cb 1.19 -0.13 -0.08 0.00 2.20 0.00 0.00 35.95 39.14 3iuy h PHE 232 CO 0.58 0.16 -0.23 -0.22 -0.60 0.00 0.00 178.31 178.00 3iuy h LYS 233 N 0.35 -0.20 -0.79 1.51 1.63 -1.96 -0.62 116.57 116.50 3iuy h LYS 233 Ca 0.33 0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 60.09 3iuy h LYS 233 Cb 0.80 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.44 3iuy h LYS 233 CO -0.09 -0.13 0.30 -0.44 -3.45 0.00 0.00 179.45 175.63 3iuy h ASP 234 N -0.20 1.10 0.28 4.20 3.32 -1.55 -0.66 116.42 122.91 3iuy h ASP 234 Ca 0.16 -0.18 -0.34 0.00 0.02 0.00 0.00 57.03 56.69 3iuy h ASP 234 Cb 0.45 -0.29 0.02 0.00 0.22 0.00 0.00 39.33 39.74 3iuy h ASP 234 CO -0.43 0.98 -1.58 0.00 -1.72 0.00 0.00 179.24 176.49 3iuy h ALA 235 N 1.17 0.02 0.00 3.45 0.00 -1.31 -3.41 119.26 119.18 3iuy h ALA 235 Ca 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 54.17 3iuy h ALA 235 Cb 0.24 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3iuy h ALA 235 CO -0.02 0.88 0.00 1.19 0.00 0.00 0.00 179.25 181.31 3iuy n PHE 236 N -3.63 0.00 -0.32 0.00 3.72 -0.26 -4.66 117.46 112.30 3iuy n PHE 236 Ca -0.19 -0.44 0.21 0.00 -0.05 0.00 0.00 57.45 56.97 3iuy n PHE 236 Cb 1.08 -0.04 0.40 0.00 -0.94 0.00 0.00 39.48 39.99 3iuy n PHE 236 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 3iuy h GLN 237 N 0.00 0.10 0.00 -1.08 -0.00 -1.23 0.12 115.11 113.03 3iuy h GLN 237 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 3iuy h GLN 237 Cb 0.51 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 27.97 3iuy h GLN 237 CO 0.00 0.07 0.00 0.94 -0.00 0.00 0.00 178.83 179.84 3iuy n GLN 238 N -5.29 0.01 -3.43 0.06 7.27 -1.26 -4.26 117.38 110.47 3iuy n GLN 238 Ca 0.28 0.47 -0.26 0.00 0.07 0.00 0.00 57.00 57.57 3iuy n GLN 238 Cb 0.93 -1.52 -0.11 0.00 2.41 0.00 0.00 30.24 31.95 3iuy n GLN 238 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 3iuy s TYR 239 N -3.02 0.46 0.20 3.69 2.02 0.41 -4.99 117.35 116.11 3iuy s TYR 239 Ca 0.01 -1.45 0.20 0.00 -0.37 0.00 0.00 57.07 55.46 3iuy s TYR 239 Cb 0.02 -0.77 0.78 0.00 -0.40 0.00 0.00 41.96 41.59 3iuy s TYR 239 CO 0.05 -0.87 1.78 -1.00 -1.57 0.00 0.00 175.55 173.94 3iuy h PRO 240 N 6.94 0.00 -0.66 -1.71 0.13 -1.74 -2.85 132.00 132.10 3iuy h PRO 240 Ca 0.07 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.28 3iuy h PRO 240 Cb 0.99 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.06 3iuy h PRO 240 CO 0.25 0.33 0.33 -0.44 -0.23 0.00 0.00 178.00 178.24 3iuy h ASP 241 N 0.00 0.44 -0.05 1.44 5.19 -1.94 -0.98 116.42 120.53 3iuy h ASP 241 Ca -0.00 0.05 -0.14 0.00 -0.62 0.00 0.00 57.03 56.32 3iuy h ASP 241 Cb 0.81 -0.03 0.01 0.00 0.18 0.00 0.00 39.33 40.30 3iuy h ASP 241 CO 0.04 0.27 -0.53 0.25 -3.12 0.00 0.00 179.24 176.16 3iuy h LEU 242 N 0.59 0.54 -1.08 1.55 5.85 -1.86 -3.06 115.31 117.84 3iuy h LEU 242 Ca 0.32 -0.70 0.14 0.00 0.84 0.00 0.00 57.88 58.48 3iuy h LEU 242 Cb 0.30 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.07 3iuy h LEU 242 CO -0.24 1.17 0.62 -0.07 -0.34 0.00 0.00 178.44 179.57 3iuy h LEU 243 N -0.03 0.83 -1.51 2.25 3.38 -1.48 0.26 115.31 119.02 3iuy h LEU 243 Ca -0.05 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3iuy h LEU 243 Cb 1.20 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 3iuy h LEU 243 CO 0.11 0.40 -0.25 0.50 0.09 0.00 0.00 178.44 179.29 3iuy h LYS 244 N 0.87 0.00 0.11 1.13 3.64 -1.18 -1.97 116.57 119.17 3iuy h LYS 244 Ca 0.51 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.73 3iuy h LYS 244 Cb 0.65 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.49 3iuy h LYS 244 CO -0.28 0.25 -0.72 1.03 -2.27 0.00 0.00 179.45 177.46 3iuy h SER 245 N 0.00 0.37 0.77 4.20 0.87 -1.06 -2.67 113.55 116.03 3iuy h SER 245 Ca -0.00 -0.95 -0.03 0.00 -1.23 0.00 0.00 61.79 59.57 3iuy h SER 245 Cb 0.52 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 3iuy h SER 245 CO 0.03 1.34 -0.45 0.40 -0.53 0.00 0.00 176.83 177.62 3iuy h ILE 246 N -0.49 0.08 -0.83 2.23 2.04 -0.96 -2.35 117.51 117.24 3iuy h ILE 246 Ca -0.13 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.86 3iuy h ILE 246 Cb 1.53 0.08 -0.09 0.00 -0.74 0.00 0.00 36.82 37.61 3iuy h ILE 246 CO 0.11 0.00 0.43 0.40 0.00 0.00 0.00 178.15 179.10 3iuy h ILE 247 N -1.14 0.76 -0.48 -0.67 5.03 -1.51 0.11 117.51 119.60 3iuy h ILE 247 Ca -0.10 -0.22 0.10 0.00 -0.12 0.00 0.00 64.86 64.52 3iuy h ILE 247 Cb 0.91 0.06 -0.09 0.00 -3.03 0.00 0.00 36.82 34.67 3iuy h ILE 247 CO 0.11 0.12 -0.15 -0.09 -0.68 0.00 0.00 178.15 177.46 3iuy h ARG 248 N 0.64 -0.03 -0.03 2.37 1.12 -1.36 -2.43 114.38 114.66 3iuy h ARG 248 Ca 0.45 0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 59.22 3iuy h ARG 248 Cb 0.60 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.55 3iuy h ARG 248 CO -0.34 -0.02 -0.44 0.28 -3.11 0.00 0.00 179.97 176.34 3iuy h VAL 249 N -0.03 1.32 0.00 0.20 2.07 -0.29 -3.48 116.25 116.04 3iuy h VAL 249 Ca 0.23 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.22 3iuy h VAL 249 Cb 0.39 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3iuy h VAL 249 CO -0.52 0.44 0.00 0.61 0.02 0.00 0.00 177.57 178.13 3iuy n GLY 250 N -0.23 0.80 3.76 2.17 0.00 -0.39 -5.07 105.19 106.23 3iuy n GLY 250 Ca -0.02 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 3iuy n GLY 250 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3iuy s ILE 251 N -2.00 2.76 -0.26 -0.61 -4.36 -1.26 -5.00 121.20 110.47 3iuy s ILE 251 Ca 0.00 0.51 -0.12 0.00 -0.26 0.00 0.00 60.65 60.78 3iuy s ILE 251 Cb 0.00 -3.23 -0.14 0.00 1.25 0.00 0.00 42.46 40.34 3iuy s ILE 251 CO 0.00 -0.06 -0.23 0.18 0.24 0.00 0.00 174.94 175.06 3iuy n LEU 252 N -1.17 2.15 -3.90 0.37 4.32 -1.26 -4.81 117.00 112.71 3iuy n LEU 252 Ca 0.11 0.26 -0.15 0.00 -0.02 0.00 0.00 56.01 56.21 3iuy n LEU 252 Cb 0.49 -0.87 -0.15 0.00 -1.62 0.00 0.00 43.42 41.27 3iuy n LEU 252 CO 0.46 0.61 -0.39 -0.75 -1.22 0.00 0.00 177.39 176.11 3iuy s LYS 253 N -2.49 0.31 0.33 3.23 2.20 -1.26 -4.77 119.74 117.29 3iuy s LYS 253 Ca -0.36 -0.07 -0.29 0.00 -0.36 0.00 0.00 55.97 54.88 3iuy s LYS 253 Cb 0.12 -0.35 -0.11 0.00 -1.51 0.00 0.00 37.83 35.98 3iuy s LYS 253 CO 0.53 0.02 1.53 -2.30 -0.36 0.00 0.00 175.35 174.77 3iuy n PRO 254 N 3.33 2.64 -1.12 4.03 -0.02 -1.26 -5.02 135.00 137.58 3iuy n PRO 254 Ca -0.17 0.93 -0.31 0.00 -2.02 0.00 0.00 63.50 61.93 3iuy n PRO 254 Cb 0.56 -2.68 0.11 0.00 -0.02 0.00 0.00 33.50 31.47 3iuy n PRO 254 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3iuy s THR 255 N -0.51 3.00 0.15 3.45 -4.23 -1.26 -4.74 115.64 111.50 3iuy s THR 255 Ca 0.59 0.33 -0.30 0.00 -1.18 0.00 0.00 61.69 61.13 3iuy s THR 255 Cb -0.50 -2.70 -0.06 0.00 1.34 0.00 0.00 72.50 70.59 3iuy s THR 255 CO 0.55 -0.42 1.55 -0.65 -0.54 0.00 0.00 174.62 175.11 3iuy h PRO 256 N -1.30 -0.16 -0.92 3.99 0.11 -1.95 0.15 132.00 131.93 3iuy h PRO 256 Ca -0.43 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.70 3iuy h PRO 256 Cb 1.24 0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.34 3iuy h PRO 256 CO 0.49 -0.10 0.60 -0.84 -0.21 0.00 0.00 178.00 177.94 3iuy h ILE 257 N -0.16 1.21 -0.71 4.15 -0.00 -1.93 -1.69 117.51 118.38 3iuy h ILE 257 Ca 0.14 -0.42 0.02 0.00 -0.00 0.00 0.00 64.86 64.61 3iuy h ILE 257 Cb 0.50 -0.11 -0.04 0.00 -0.00 0.00 0.00 36.82 37.17 3iuy h ILE 257 CO -0.80 0.22 0.47 1.56 -0.00 0.00 0.00 178.15 179.60 3iuy h GLN 258 N 1.22 0.88 -0.23 0.16 4.20 -1.64 0.37 115.11 120.07 3iuy h GLN 258 Ca 0.34 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.94 3iuy h GLN 258 Cb -0.10 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.46 3iuy h GLN 258 CO -0.09 0.58 -0.14 0.66 -0.67 0.00 0.00 178.83 179.18 3iuy h SER 259 N 0.91 0.38 0.16 1.46 4.64 -0.07 -2.39 113.55 118.64 3iuy h SER 259 Ca 0.27 -0.09 -0.36 0.00 -0.47 0.00 0.00 61.79 61.14 3iuy h SER 259 Cb -0.02 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 3iuy h SER 259 CO -0.07 0.55 -1.96 1.67 -0.87 0.00 0.00 176.83 176.15 3iuy n GLN 260 N -4.22 0.75 -0.08 4.77 -0.06 -0.67 -0.72 117.38 117.15 3iuy n GLN 260 Ca 0.00 0.27 -0.12 0.00 -2.00 0.00 0.00 57.00 55.14 3iuy n GLN 260 Cb 0.31 -1.72 -0.05 0.00 -4.06 0.00 0.00 30.24 24.72 3iuy n GLN 260 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3iuy h ALA 261 N 0.16 0.31 0.27 1.69 0.00 -0.31 -3.28 119.26 118.10 3iuy h ALA 261 Ca -0.41 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.20 3iuy h ALA 261 Cb 2.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.72 3iuy h ALA 261 CO 0.09 0.17 -0.39 -1.49 0.00 0.00 0.00 179.25 177.64 3iuy h TRP 262 N 0.17 -1.07 -0.23 0.00 6.55 -1.63 -1.23 115.95 118.51 3iuy h TRP 262 Ca 0.05 0.02 -0.02 0.00 0.95 0.00 0.00 58.89 59.89 3iuy h TRP 262 Cb 0.63 0.43 -0.01 0.00 -0.86 0.00 0.00 29.16 29.35 3iuy h TRP 262 CO 0.07 -0.52 0.08 -1.00 -1.05 0.00 0.00 178.44 176.02 3iuy h PRO 263 N -0.72 0.32 0.79 0.49 0.13 -1.78 0.14 132.00 131.37 3iuy h PRO 263 Ca -0.01 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.05 3iuy h PRO 263 Cb 0.68 -0.06 0.01 0.00 0.13 0.00 0.00 31.00 31.76 3iuy h PRO 263 CO -0.14 0.29 -0.39 0.82 -0.23 0.00 0.00 178.00 178.36 3iuy h ILE 264 N 0.33 0.21 -0.64 -3.56 2.04 -1.56 -2.83 117.51 111.49 3iuy h ILE 264 Ca 0.08 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.88 3iuy h ILE 264 Cb 0.10 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.36 3iuy h ILE 264 CO -0.01 0.00 0.16 0.40 0.00 0.00 0.00 178.15 178.70 3iuy h ILE 265 N -1.07 1.26 0.00 -0.67 2.04 -0.86 -1.47 117.51 116.73 3iuy h ILE 265 Ca -0.11 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 3iuy h ILE 265 Cb 0.82 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3iuy h ILE 265 CO 0.17 0.35 -0.00 -0.07 0.00 0.00 0.00 178.15 178.60 3iuy h LEU 266 N 0.95 0.00 -0.27 1.44 3.38 -1.04 -0.15 115.31 119.61 3iuy h LEU 266 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3iuy h LEU 266 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3iuy h LEU 266 CO 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.52 3iuy n GLN 267 N -3.16 1.11 -1.09 1.13 6.02 -0.56 -4.92 117.38 115.92 3iuy n GLN 267 Ca -0.03 -0.27 0.00 0.00 -0.01 0.00 0.00 57.00 56.70 3iuy n GLN 267 Cb 0.10 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.87 3iuy n GLN 267 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iuy n GLY 268 N 1.09 0.46 3.72 1.08 0.00 -0.07 -5.06 105.19 106.41 3iuy n GLY 268 Ca 0.21 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 3iuy n GLY 268 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iuy s ILE 269 N -2.00 5.09 0.51 -0.61 1.01 -1.20 -4.97 121.20 119.03 3iuy s ILE 269 Ca 0.00 0.07 -0.22 0.00 0.00 0.00 0.00 60.65 60.49 3iuy s ILE 269 Cb 0.00 -3.27 -0.06 0.00 0.01 0.00 0.00 42.46 39.14 3iuy s ILE 269 CO 0.00 0.50 1.31 -1.81 0.00 0.00 0.00 174.94 174.94 3iuy s ASP 270 N -0.07 5.58 -0.03 3.58 1.11 -1.26 -4.26 116.67 121.32 3iuy s ASP 270 Ca 0.08 2.64 -0.01 0.00 0.18 0.00 0.00 52.55 55.45 3iuy s ASP 270 Cb -0.12 -2.63 0.03 0.00 1.07 0.00 0.00 42.92 41.28 3iuy s ASP 270 CO 0.01 -1.35 0.04 -0.22 1.18 0.00 0.00 175.17 174.83 3iuy s LEU 271 N -3.31 0.75 -0.19 1.23 2.96 -0.84 -1.74 118.68 117.54 3iuy s LEU 271 Ca 0.68 0.06 -0.16 0.00 -0.22 0.00 0.00 54.13 54.49 3iuy s LEU 271 Cb -0.37 -0.08 -0.04 0.00 0.50 0.00 0.00 46.19 46.20 3iuy s LEU 271 CO 0.45 -0.17 0.42 -0.63 -1.32 0.00 0.00 176.35 175.10 3iuy s ILE 272 N 1.44 5.19 -0.23 6.68 1.01 -0.12 -0.56 121.20 134.62 3iuy s ILE 272 Ca -0.04 0.77 -0.02 0.00 0.00 0.00 0.00 60.65 61.35 3iuy s ILE 272 Cb -0.13 -3.75 0.01 0.00 0.01 0.00 0.00 42.46 38.60 3iuy s ILE 272 CO -0.03 0.26 -0.07 -0.69 0.00 0.00 0.00 174.94 174.40 3iuy s VAL 273 N 1.22 2.94 -0.47 2.92 1.01 0.14 -0.67 120.40 127.50 3iuy s VAL 273 Ca 0.21 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 3iuy s VAL 273 Cb -0.15 -2.40 0.10 0.00 0.00 0.00 0.00 36.38 33.93 3iuy s VAL 273 CO 0.08 0.33 0.36 -0.69 0.00 0.00 0.00 175.10 175.19 3iuy s VAL 274 N 1.38 4.70 -0.12 2.92 1.01 0.34 -0.74 120.40 129.88 3iuy s VAL 274 Ca 0.03 -1.41 -0.31 0.00 0.00 0.00 0.00 61.98 60.30 3iuy s VAL 274 Cb -0.15 -3.93 0.13 0.00 0.00 0.00 0.00 36.38 32.43 3iuy s VAL 274 CO -0.05 -0.66 1.02 0.00 0.00 0.00 0.00 175.10 175.41 3iuy s ALA 275 N 1.51 -1.93 0.26 5.51 0.00 0.22 -1.66 121.76 125.66 3iuy s ALA 275 Ca 0.04 1.43 0.10 0.00 0.00 0.00 0.00 51.96 53.52 3iuy s ALA 275 Cb -0.25 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 3iuy s ALA 275 CO 0.03 -0.47 -0.01 -0.65 0.00 0.00 0.00 175.76 174.65 3iuy s GLN 276 N -1.96 2.27 0.30 0.00 -0.21 -1.26 -3.72 119.66 115.07 3iuy s GLN 276 Ca 0.03 -1.41 -0.26 0.00 0.02 0.00 0.00 55.36 53.74 3iuy s GLN 276 Cb -0.01 -2.16 -0.15 0.00 1.00 0.00 0.00 33.01 31.69 3iuy s GLN 276 CO -0.03 0.37 0.61 -2.37 -2.12 0.00 0.00 175.29 171.74 3iuy n THR 277 N -0.82 1.80 0.00 -0.19 5.66 -1.26 -2.36 114.28 117.11 3iuy n THR 277 Ca -0.07 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.43 3iuy n THR 277 Cb 0.59 -0.38 0.00 0.00 -1.55 0.00 0.00 70.33 68.98 3iuy n THR 277 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3iuy n GLY 278 N 1.78 2.63 0.12 1.09 0.00 -1.26 -4.92 105.19 104.63 3iuy n GLY 278 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 3iuy n GLY 278 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iuy n THR 279 N -1.40 0.00 -1.81 2.61 -2.24 -0.99 -4.97 114.28 105.48 3iuy n THR 279 Ca 0.00 -0.06 -0.02 0.00 -2.27 0.00 0.00 64.05 61.69 3iuy n THR 279 Cb 0.00 0.61 -0.00 0.00 -2.10 0.00 0.00 70.33 68.84 3iuy n THR 279 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iuy n GLY 280 N 1.45 0.34 0.23 3.38 0.00 -1.26 -4.53 105.19 104.81 3iuy n GLY 280 Ca 0.07 -0.83 0.05 0.00 0.00 0.00 0.00 46.02 45.31 3iuy n GLY 280 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3iuy h LYS 281 N 0.00 0.03 0.19 1.61 2.10 -1.93 -2.65 116.57 115.92 3iuy h LYS 281 Ca -0.06 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.58 3iuy h LYS 281 Cb 0.83 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.16 3iuy h LYS 281 CO 0.07 0.19 -0.09 1.15 -2.00 0.00 0.00 179.45 178.77 3iuy h THR 282 N 0.03 0.86 0.00 0.07 2.02 -1.98 -2.54 112.91 111.37 3iuy h THR 282 Ca 0.01 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 3iuy h THR 282 Cb 0.30 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 3iuy h THR 282 CO 0.02 0.05 -0.09 -0.07 0.37 0.00 0.00 175.52 175.80 3iuy h LEU 283 N -0.36 0.00 -1.54 2.58 3.38 -1.96 -0.50 115.31 116.90 3iuy h LEU 283 Ca -0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3iuy h LEU 283 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3iuy h LEU 283 CO 0.04 0.09 -0.24 0.77 0.09 0.00 0.00 178.44 179.20 3iuy h SER 284 N 0.00 0.00 0.00 -0.43 4.64 -1.09 -2.59 113.55 114.08 3iuy h SER 284 Ca -0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 3iuy h SER 284 Cb 0.36 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.38 3iuy h SER 284 CO 0.01 0.24 -2.31 0.00 -0.87 0.00 0.00 176.83 173.90 3iuy n TYR 285 N -4.19 0.00 -0.08 4.77 0.18 -1.02 -4.52 117.16 112.30 3iuy n TYR 285 Ca -0.02 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.63 3iuy n TYR 285 Cb 0.30 -0.93 -0.05 0.00 -0.38 0.00 0.00 39.34 38.27 3iuy n TYR 285 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 3iuy h LEU 286 N 0.00 0.57 -0.19 -3.48 3.38 -1.05 -2.65 115.31 111.89 3iuy h LEU 286 Ca -0.50 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.01 3iuy h LEU 286 Cb 2.14 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.73 3iuy h LEU 286 CO 0.03 0.90 0.08 0.24 0.09 0.00 0.00 178.44 179.78 3iuy h MET 287 N 0.25 0.28 0.00 1.13 2.86 -1.71 -1.25 114.93 116.48 3iuy h MET 287 Ca 0.04 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3iuy h MET 287 Cb 0.72 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.33 3iuy h MET 287 CO 0.05 0.33 -0.08 -1.35 1.06 0.00 0.00 176.91 176.92 3iuy h PRO 288 N 0.16 0.00 -0.47 -0.22 0.11 -1.81 -2.35 132.00 127.42 3iuy h PRO 288 Ca 0.06 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 3iuy h PRO 288 Cb 0.15 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.24 3iuy h PRO 288 CO -0.01 0.08 0.22 0.78 -0.21 0.00 0.00 178.00 178.86 3iuy h GLY 289 N 1.05 0.72 0.83 -0.55 0.00 -0.97 -0.93 103.07 103.22 3iuy h GLY 289 Ca -0.00 -0.36 0.02 0.00 0.00 0.00 0.00 47.33 46.99 3iuy h GLY 289 CO 0.01 0.34 0.07 0.74 0.00 0.00 0.00 176.54 177.71 3iuy h PHE 290 N 0.61 0.13 -0.10 5.60 0.04 -0.71 -2.49 116.94 120.02 3iuy h PHE 290 Ca 0.16 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.94 3iuy h PHE 290 Cb 0.12 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.24 3iuy h PHE 290 CO -0.01 0.07 0.05 0.82 -0.60 0.00 0.00 178.31 178.64 3iuy h ILE 291 N 0.18 1.09 -1.01 -0.55 2.04 -1.49 -1.65 117.51 116.11 3iuy h ILE 291 Ca 0.09 -0.26 0.25 0.00 1.00 0.00 0.00 64.86 65.94 3iuy h ILE 291 Cb 0.06 1.08 -0.08 0.00 -0.74 0.00 0.00 36.82 37.14 3iuy h ILE 291 CO -0.09 0.08 0.66 -0.74 0.00 0.00 0.00 178.15 178.06 3iuy h HIS 292 N 0.06 0.57 0.07 1.37 2.76 -0.97 -1.16 115.15 117.85 3iuy h HIS 292 Ca 0.04 0.02 -0.25 0.00 -2.20 0.00 0.00 60.37 57.97 3iuy h HIS 292 Cb 0.08 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 28.88 3iuy h HIS 292 CO -0.04 0.08 -1.11 -0.07 -1.30 0.00 0.00 177.93 175.49 3iuy h LEU 293 N 0.36 0.45 -2.45 0.26 3.38 -0.92 -3.26 115.31 113.14 3iuy h LEU 293 Ca 0.55 -0.43 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 3iuy h LEU 293 Cb 1.47 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 42.00 3iuy h LEU 293 CO -0.24 1.28 0.16 0.47 0.09 0.00 0.00 178.44 180.20 3iuy n ASP 294 N -3.62 3.09 -1.86 -0.43 8.00 -0.46 -5.12 116.55 116.15 3iuy n ASP 294 Ca -0.07 -2.50 -0.03 0.00 0.71 0.00 0.00 54.79 52.89 3iuy n ASP 294 Cb 0.94 -0.61 0.04 0.00 -0.02 0.00 0.00 41.12 41.48 3iuy n ASP 294 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3iuy n SER 295 N 0.01 -1.04 0.00 -2.24 3.41 -1.09 -5.01 113.62 107.67 3iuy n SER 295 Ca 0.18 -1.84 0.00 0.00 -0.26 0.00 0.00 58.87 56.95 3iuy n SER 295 Cb 0.82 0.44 0.00 0.00 -0.26 0.00 0.00 64.21 65.20 3iuy n SER 295 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3iuy n ASN 304 N -0.78 0.00 -0.02 4.04 6.94 -1.26 -5.03 115.26 119.16 3iuy n ASN 304 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.39 3iuy n ASN 304 Cb 0.73 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.15 3iuy n ASN 304 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3iuy n GLY 305 N 0.00 3.63 3.73 4.83 0.00 -1.26 -4.95 105.19 111.17 3iuy n GLY 305 Ca 0.00 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.67 3iuy n GLY 305 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3iuy n PRO 306 N 0.00 1.81 0.00 1.61 -0.04 -1.18 -4.86 135.00 132.33 3iuy n PRO 306 Ca 0.00 0.66 0.11 0.00 -0.04 0.00 0.00 63.50 64.23 3iuy n PRO 306 Cb 0.00 -2.54 0.08 0.00 -0.04 0.00 0.00 33.50 31.01 3iuy n PRO 306 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3iuy n GLY 307 N 0.75 -0.90 2.82 0.55 0.00 -0.79 -2.88 105.19 104.74 3iuy n GLY 307 Ca 0.09 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 3iuy n GLY 307 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3iuy s MET 308 N -2.87 0.07 -0.09 1.61 -2.45 -0.90 -1.72 119.30 112.95 3iuy s MET 308 Ca 0.12 0.08 0.00 0.00 -1.25 0.00 0.00 55.69 54.65 3iuy s MET 308 Cb 0.17 -0.23 0.02 0.00 1.25 0.00 0.00 34.83 36.05 3iuy s MET 308 CO 0.73 -0.09 -0.08 -1.17 1.05 0.00 0.00 175.02 175.46 3iuy s LEU 309 N 0.65 1.30 -0.29 4.11 2.96 -0.59 -1.07 118.68 125.75 3iuy s LEU 309 Ca -0.06 -0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 53.56 3iuy s LEU 309 Cb -0.08 -0.76 0.04 0.00 0.50 0.00 0.00 46.19 45.88 3iuy s LEU 309 CO -0.02 -0.07 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.25 3iuy s VAL 310 N 1.32 3.11 -0.11 1.68 1.01 -0.30 0.55 120.40 127.66 3iuy s VAL 310 Ca -0.03 -1.21 -0.23 0.00 0.00 0.00 0.00 61.98 60.52 3iuy s VAL 310 Cb -0.14 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 3iuy s VAL 310 CO -0.03 -0.02 0.67 -0.76 0.00 0.00 0.00 175.10 174.96 3iuy s LEU 311 N 1.31 4.27 0.13 3.92 1.43 0.10 -1.40 118.68 128.43 3iuy s LEU 311 Ca -0.03 1.08 0.08 0.00 -1.03 0.00 0.00 54.13 54.23 3iuy s LEU 311 Cb -0.19 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 42.98 3iuy s LEU 311 CO -0.01 -0.16 -0.19 0.42 0.23 0.00 0.00 176.35 176.64 3iuy s THR 312 N 1.12 1.70 -0.47 5.49 -4.23 -0.06 -0.90 115.64 118.28 3iuy s THR 312 Ca 0.35 -1.69 0.23 0.00 -1.18 0.00 0.00 61.69 59.40 3iuy s THR 312 Cb -0.17 -1.65 0.32 0.00 1.34 0.00 0.00 72.50 72.35 3iuy s THR 312 CO 0.15 -0.20 1.62 1.55 -0.54 0.00 0.00 174.62 177.20 3iuy h PRO 313 N 3.72 0.00 -4.36 3.99 0.13 -1.87 -3.34 132.00 130.26 3iuy h PRO 313 Ca -0.44 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.53 3iuy h PRO 313 Cb 1.19 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 3iuy h PRO 313 CO 0.45 0.00 -0.69 0.95 -0.23 0.00 0.00 178.00 178.48 3iuy s THR 314 N -3.20 0.37 0.18 1.56 -4.23 -1.26 -4.85 115.64 104.21 3iuy s THR 314 Ca 0.07 -1.74 -0.13 0.00 -1.18 0.00 0.00 61.69 58.71 3iuy s THR 314 Cb 0.06 -1.42 0.08 0.00 1.34 0.00 0.00 72.50 72.56 3iuy s THR 314 CO 0.66 -0.89 1.79 -0.09 -0.54 0.00 0.00 174.62 175.55 3iuy h ARG 315 N 3.28 0.51 -0.50 3.99 2.43 -1.96 -2.52 114.38 119.61 3iuy h ARG 315 Ca -0.34 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 58.86 3iuy h ARG 315 Cb 1.16 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.54 3iuy h ARG 315 CO 0.62 0.34 0.19 1.49 -1.51 0.00 0.00 179.97 181.10 3iuy h GLU 316 N 0.53 0.37 -0.16 0.20 4.81 -2.00 -0.17 114.58 118.16 3iuy h GLU 316 Ca 0.23 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.26 3iuy h GLU 316 Cb 0.13 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 3iuy h GLU 316 CO -0.15 0.24 -0.63 1.25 -0.73 0.00 0.00 179.01 178.99 3iuy h LEU 317 N 0.38 0.65 -0.36 1.64 5.85 -1.98 -2.50 115.31 118.99 3iuy h LEU 317 Ca 0.24 -0.38 0.04 0.00 0.84 0.00 0.00 57.88 58.62 3iuy h LEU 317 Cb 0.23 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3iuy h LEU 317 CO -0.23 1.12 0.13 0.00 -0.34 0.00 0.00 178.44 179.12 3iuy h ALA 318 N 0.89 0.42 -0.34 1.25 0.00 -0.98 0.35 119.26 120.85 3iuy h ALA 318 Ca -0.01 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3iuy h ALA 318 Cb 1.20 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3iuy h ALA 318 CO 0.12 -0.26 0.11 -0.07 0.00 0.00 0.00 179.25 179.14 3iuy h LEU 319 N 0.28 0.49 -0.35 0.00 3.38 -1.05 -1.87 115.31 116.18 3iuy h LEU 319 Ca 0.16 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 58.00 3iuy h LEU 319 Cb 0.13 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 3iuy h LEU 319 CO -0.16 0.57 -0.06 -0.74 0.09 0.00 0.00 178.44 178.14 3iuy h HIS 320 N 0.39 -0.12 -0.91 1.13 2.76 -1.20 -0.27 115.15 116.93 3iuy h HIS 320 Ca 0.11 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.34 3iuy h HIS 320 Cb 0.25 0.11 -0.05 0.00 1.55 0.00 0.00 27.41 29.27 3iuy h HIS 320 CO 0.01 -0.12 0.59 0.28 -1.30 0.00 0.00 177.93 177.38 3iuy h VAL 321 N 0.03 1.15 -0.58 5.26 2.07 -0.84 -1.70 116.25 121.64 3iuy h VAL 321 Ca 0.17 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 3iuy h VAL 321 Cb 0.25 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 3iuy h VAL 321 CO -0.33 0.21 0.01 -0.08 0.02 0.00 0.00 177.57 177.40 3iuy h GLU 322 N 1.14 1.02 -0.16 1.57 4.57 -0.82 0.80 114.58 122.70 3iuy h GLU 322 Ca 0.36 -0.32 0.03 0.00 -1.18 0.00 0.00 59.36 58.25 3iuy h GLU 322 Cb 0.01 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 3iuy h GLU 322 CO -0.12 1.00 -0.02 0.00 -1.18 0.00 0.00 179.01 178.69 3iuy h ALA 323 N 0.98 0.12 -0.42 2.92 0.00 -0.83 -0.67 119.26 121.35 3iuy h ALA 323 Ca 0.17 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3iuy h ALA 323 Cb 0.53 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3iuy h ALA 323 CO 0.03 -0.47 -0.07 1.49 0.00 0.00 0.00 179.25 180.23 3iuy h GLU 324 N 0.02 0.72 -0.29 0.00 4.57 -0.93 -1.28 114.58 117.39 3iuy h GLU 324 Ca 0.07 -0.21 -0.08 0.00 -1.18 0.00 0.00 59.36 57.96 3iuy h GLU 324 Cb 0.10 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 3iuy h GLU 324 CO -0.15 0.78 -0.14 0.00 -1.18 0.00 0.00 179.01 178.32 3iuy h SER 326 N 0.35 0.00 -0.67 0.00 4.64 -1.05 0.40 113.55 117.21 3iuy h SER 326 Ca 0.06 -0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 61.24 3iuy h SER 326 Cb 0.66 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.72 3iuy h SER 326 CO 0.04 0.05 0.24 0.50 -0.87 0.00 0.00 176.83 176.79 3iuy h LYS 327 N 0.00 1.05 0.00 4.77 3.64 -1.13 -3.37 116.57 121.53 3iuy h LYS 327 Ca 0.00 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3iuy h LYS 327 Cb 0.80 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3iuy h LYS 327 CO 0.00 0.88 -1.18 0.66 -2.27 0.00 0.00 179.45 177.54 3iuy n TYR 328 N -4.28 0.00 -0.66 1.91 4.01 -1.05 -4.93 117.16 112.17 3iuy n TYR 328 Ca 0.06 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.49 3iuy n TYR 328 Cb 0.20 -0.17 0.18 0.00 -0.31 0.00 0.00 39.34 39.24 3iuy n TYR 328 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3iuy n SER 329 N -1.68 0.17 -2.59 7.72 3.41 0.12 -4.84 113.62 115.94 3iuy n SER 329 Ca -0.01 0.37 -0.09 0.00 -0.26 0.00 0.00 58.87 58.89 3iuy n SER 329 Cb 0.23 -1.46 0.02 0.00 -0.26 0.00 0.00 64.21 62.74 3iuy n SER 329 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iuy n TYR 330 N -4.32 -2.07 -2.20 7.33 4.11 -1.26 -4.94 117.16 113.81 3iuy n TYR 330 Ca 0.11 -1.69 -0.16 0.00 -0.00 0.00 0.00 57.90 56.16 3iuy n TYR 330 Cb 0.52 0.76 -0.02 0.00 -0.00 0.00 0.00 39.34 40.60 3iuy n TYR 330 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 3iuy n LYS 331 N -0.47 -1.84 -2.85 -3.48 5.02 -1.26 -1.28 118.16 111.99 3iuy n LYS 331 Ca -0.06 0.82 -0.19 0.00 -2.02 0.00 0.00 58.31 56.85 3iuy n LYS 331 Cb 0.52 -5.37 0.03 0.00 -0.02 0.00 0.00 35.03 30.19 3iuy n LYS 331 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iuy n GLY 332 N -0.75 -0.36 3.69 0.72 0.00 -1.26 -4.95 105.19 102.28 3iuy n GLY 332 Ca -0.18 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 3iuy n GLY 332 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iuy s LEU 333 N -5.75 4.29 -0.20 0.99 2.96 -0.40 -5.00 118.68 115.56 3iuy s LEU 333 Ca 0.23 1.81 -0.05 0.00 -0.22 0.00 0.00 54.13 55.91 3iuy s LEU 333 Cb -0.10 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.00 3iuy s LEU 333 CO 0.29 -0.55 -0.01 -0.75 -1.32 0.00 0.00 176.35 174.00 3iuy s LYS 334 N 2.04 3.58 0.08 1.98 2.36 -1.26 -4.73 119.74 123.80 3iuy s LYS 334 Ca 0.56 -0.54 0.09 0.00 -2.55 0.00 0.00 55.97 53.52 3iuy s LYS 334 Cb -0.25 -3.04 -0.03 0.00 -1.05 0.00 0.00 37.83 33.46 3iuy s LYS 334 CO 0.23 0.01 -0.23 -1.54 1.55 0.00 0.00 175.35 175.36 3iuy s SER 335 N 0.98 2.84 0.06 1.43 1.04 -1.26 -0.07 113.70 118.71 3iuy s SER 335 Ca 0.01 -0.64 0.05 0.00 0.48 0.00 0.00 55.95 55.86 3iuy s SER 335 Cb -0.14 -0.21 -0.03 0.00 0.10 0.00 0.00 66.02 65.74 3iuy s SER 335 CO 0.01 0.16 -0.14 0.27 0.98 0.00 0.00 173.24 174.52 3iuy s ILE 336 N -0.96 1.14 -0.29 -1.02 -4.36 -0.60 -4.97 121.20 110.14 3iuy s ILE 336 Ca 0.10 -1.15 -0.09 0.00 -0.26 0.00 0.00 60.65 59.25 3iuy s ILE 336 Cb -0.10 -1.06 -0.01 0.00 1.25 0.00 0.00 42.46 42.54 3iuy s ILE 336 CO 0.04 -0.09 0.12 0.00 0.24 0.00 0.00 174.94 175.24 3iuy s ILE 338 N 1.61 3.22 0.00 0.00 -1.09 0.13 -4.99 121.20 120.08 3iuy s ILE 338 Ca 0.05 -0.55 0.00 0.00 -2.23 0.00 0.00 60.65 57.92 3iuy s ILE 338 Cb -0.16 -2.45 0.00 0.00 -1.58 0.00 0.00 42.46 38.26 3iuy s ILE 338 CO 0.05 0.44 0.53 0.00 -1.23 0.00 0.00 174.94 174.73 3iuy n TYR 339 N 4.73 0.00 0.00 3.97 0.18 -1.26 -1.65 117.16 123.13 3iuy n TYR 339 Ca -0.18 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.60 3iuy n TYR 339 Cb 0.51 0.06 0.00 0.00 -0.38 0.00 0.00 39.34 39.53 3iuy n TYR 339 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3iuy n GLY 354 N 0.00 0.00 3.73 -7.48 0.00 -1.26 -4.99 105.19 95.19 3iuy n GLY 354 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3iuy n GLY 354 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iuy s VAL 355 N 0.00 3.61 -0.15 1.61 1.01 -1.26 -4.76 120.40 120.45 3iuy s VAL 355 Ca 0.00 1.32 0.17 0.00 0.00 0.00 0.00 61.98 63.47 3iuy s VAL 355 Cb 0.00 -3.84 -0.25 0.00 0.00 0.00 0.00 36.38 32.29 3iuy s VAL 355 CO 0.00 0.20 0.26 0.47 0.00 0.00 0.00 175.10 176.02 3iuy n ASP 356 N 2.70 0.22 -3.92 3.32 8.00 0.89 -3.13 116.55 124.64 3iuy n ASP 356 Ca 0.05 0.10 -0.24 0.00 0.71 0.00 0.00 54.79 55.41 3iuy n ASP 356 Cb 0.45 0.81 -0.17 0.00 -0.02 0.00 0.00 41.12 42.19 3iuy n ASP 356 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3iuy s ILE 357 N -2.61 0.84 -0.18 0.53 1.01 -0.16 -1.89 121.20 118.74 3iuy s ILE 357 Ca -0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.29 3iuy s ILE 357 Cb 0.07 -0.85 -0.02 0.00 0.01 0.00 0.00 42.46 41.68 3iuy s ILE 357 CO 0.83 0.31 -0.05 -0.63 0.00 0.00 0.00 174.94 175.40 3iuy s ILE 358 N 1.23 3.50 -0.25 2.92 1.01 -0.23 -1.55 121.20 127.84 3iuy s ILE 358 Ca -0.05 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 3iuy s ILE 358 Cb -0.14 -2.55 0.01 0.00 0.01 0.00 0.00 42.46 39.78 3iuy s ILE 358 CO -0.02 0.46 -0.02 -0.63 0.00 0.00 0.00 174.94 174.73 3iuy s ILE 359 N 0.91 3.38 -0.01 2.92 1.01 -0.65 -1.15 121.20 127.62 3iuy s ILE 359 Ca -0.01 -0.68 -0.07 0.00 0.00 0.00 0.00 60.65 59.89 3iuy s ILE 359 Cb -0.15 -2.64 0.01 0.00 0.01 0.00 0.00 42.46 39.69 3iuy s ILE 359 CO 0.01 0.28 0.15 0.00 0.00 0.00 0.00 174.94 175.38 3iuy s ALA 360 N 1.44 -0.36 0.52 9.38 0.00 -0.49 0.19 121.76 132.43 3iuy s ALA 360 Ca 0.03 0.01 -0.13 0.00 0.00 0.00 0.00 51.96 51.87 3iuy s ALA 360 Cb -0.16 0.03 -0.06 0.00 0.00 0.00 0.00 23.12 22.93 3iuy s ALA 360 CO -0.02 -0.18 0.93 0.95 0.00 0.00 0.00 175.76 177.44 3iuy s THR 361 N -1.07 4.68 0.12 0.00 -4.23 -0.66 -0.88 115.64 113.60 3iuy s THR 361 Ca -0.12 0.89 -0.04 0.00 -1.18 0.00 0.00 61.69 61.24 3iuy s THR 361 Cb -0.06 -3.78 -0.19 0.00 1.34 0.00 0.00 72.50 69.81 3iuy s THR 361 CO 0.01 -0.80 1.29 -0.65 -0.54 0.00 0.00 174.62 173.94 3iuy h PRO 362 N 0.58 0.40 0.02 3.99 0.11 -1.89 -2.53 132.00 132.68 3iuy h PRO 362 Ca -0.46 -0.44 -0.00 0.00 0.11 0.00 0.00 66.00 65.20 3iuy h PRO 362 Cb 1.19 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3iuy h PRO 362 CO 0.62 1.11 -0.01 0.78 -0.21 0.00 0.00 178.00 180.30 3iuy h GLY 363 N 1.26 -0.03 0.94 -0.55 0.00 -1.94 -1.94 103.07 100.80 3iuy h GLY 363 Ca -0.08 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 3iuy h GLY 363 CO 0.17 -0.01 0.14 -0.09 0.00 0.00 0.00 176.54 176.74 3iuy h ARG 364 N -0.09 0.59 -0.53 4.80 9.65 -1.94 -2.89 114.38 123.97 3iuy h ARG 364 Ca -0.00 -0.12 -0.04 0.00 -1.10 0.00 0.00 59.98 58.71 3iuy h ARG 364 Cb 0.08 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.55 3iuy h ARG 364 CO 0.00 0.58 0.15 1.25 2.80 0.00 0.00 179.97 184.76 3iuy h LEU 365 N 0.48 0.74 -1.13 3.80 5.85 -1.41 -2.37 115.31 121.26 3iuy h LEU 365 Ca 0.13 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 3iuy h LEU 365 Cb 0.23 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3iuy h LEU 365 CO -0.01 0.72 -0.05 -1.13 -0.34 0.00 0.00 178.44 177.63 3iuy h ASN 366 N 0.78 0.52 0.19 1.25 -0.00 -1.27 -1.75 115.58 115.30 3iuy h ASN 366 Ca 0.18 -0.12 -0.01 0.00 -0.00 0.00 0.00 56.30 56.35 3iuy h ASN 366 Cb 0.25 -0.14 0.00 0.00 -0.00 0.00 0.00 38.32 38.44 3iuy h ASN 366 CO -0.01 0.63 -0.09 0.44 -0.00 0.00 0.00 177.43 178.40 3iuy h ASP 367 N 0.52 -0.22 -0.43 1.15 3.32 -1.27 -2.43 116.42 117.05 3iuy h ASP 367 Ca 0.10 -0.18 0.08 0.00 0.02 0.00 0.00 57.03 57.05 3iuy h ASP 367 Cb 0.41 0.06 -0.07 0.00 0.22 0.00 0.00 39.33 39.95 3iuy h ASP 367 CO 0.02 0.06 0.02 -0.07 -1.72 0.00 0.00 179.24 177.55 3iuy h LEU 368 N -0.51 -0.14 -0.80 1.55 3.38 -1.37 -2.18 115.31 115.24 3iuy h LEU 368 Ca -0.03 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.11 3iuy h LEU 368 Cb 0.39 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 3iuy h LEU 368 CO 0.04 -0.03 0.47 -0.61 0.09 0.00 0.00 178.44 178.40 3iuy h GLN 369 N 0.13 0.82 0.00 1.13 5.75 -1.32 0.11 115.11 121.73 3iuy h GLN 369 Ca 0.22 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.59 3iuy h GLN 369 Cb 0.30 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 3iuy h GLN 369 CO -0.34 0.54 -0.36 0.52 -2.65 0.00 0.00 178.83 176.54 3iuy h MET 370 N 0.85 0.00 -0.00 1.69 2.86 -0.99 -0.82 114.93 118.51 3iuy h MET 370 Ca 0.36 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 3iuy h MET 370 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 3iuy h MET 370 CO -0.20 0.36 -0.03 0.09 1.06 0.00 0.00 176.91 178.20 3iuy n ASN 371 N -3.76 0.45 -2.87 1.22 3.02 -0.85 -4.92 115.26 107.55 3iuy n ASN 371 Ca -0.01 -0.92 -0.20 0.00 -0.03 0.00 0.00 54.58 53.42 3iuy n ASN 371 Cb 0.44 -0.04 0.01 0.00 -0.61 0.00 0.00 39.78 39.58 3iuy n ASN 371 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3iuy n ASN 372 N -0.76 -4.74 0.19 6.41 3.02 -0.31 -4.89 115.26 114.18 3iuy n ASN 372 Ca 0.20 -0.14 0.06 0.00 -0.03 0.00 0.00 54.58 54.66 3iuy n ASN 372 Cb 0.22 -3.92 0.36 0.00 -0.61 0.00 0.00 39.78 35.83 3iuy n ASN 372 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3iuy h SER 373 N -0.68 0.00 -4.16 6.41 0.02 -1.03 -3.45 113.55 110.66 3iuy h SER 373 Ca -0.43 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.14 3iuy h SER 373 Cb 1.30 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.57 3iuy h SER 373 CO 0.50 0.36 -0.77 0.54 -1.14 0.00 0.00 176.83 176.31 3iuy s VAL 374 N -3.66 0.73 -0.32 2.27 0.11 -1.25 -5.00 120.40 113.29 3iuy s VAL 374 Ca -0.00 -0.55 -0.12 0.00 -2.93 0.00 0.00 61.98 58.38 3iuy s VAL 374 Cb 0.11 -0.65 -0.02 0.00 -1.53 0.00 0.00 36.38 34.30 3iuy s VAL 374 CO 0.68 0.09 0.21 0.21 -3.33 0.00 0.00 175.10 172.97 3iuy s ASN 375 N -0.52 5.93 0.00 3.54 3.84 -1.26 -4.65 114.94 121.81 3iuy s ASN 375 Ca 0.01 -0.38 0.23 0.00 0.21 0.00 0.00 52.86 52.94 3iuy s ASN 375 Cb -0.05 -2.10 0.53 0.00 -0.55 0.00 0.00 41.25 39.08 3iuy s ASN 375 CO 0.00 -0.19 1.47 0.18 -2.79 0.00 0.00 177.10 175.76 3iuy n LEU 376 N 5.07 3.71 -0.01 3.21 4.77 -1.26 -4.26 117.00 128.22 3iuy n LEU 376 Ca -0.13 -1.71 0.15 0.00 -0.03 0.00 0.00 56.01 54.29 3iuy n LEU 376 Cb 0.50 -0.36 0.82 0.00 -2.33 0.00 0.00 43.42 42.06 3iuy n LEU 376 CO 0.35 0.86 1.05 0.54 -1.33 0.00 0.00 177.39 178.86 3iuy n ARG 377 N 1.59 0.67 -0.05 3.23 5.12 -1.26 -2.34 116.66 123.62 3iuy n ARG 377 Ca 0.22 -0.02 0.07 0.00 -1.93 0.00 0.00 57.85 56.19 3iuy n ARG 377 Cb 0.62 -1.50 0.09 0.00 -1.16 0.00 0.00 32.46 30.51 3iuy n ARG 377 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3iuy n SER 378 N -1.15 2.41 -4.62 0.55 7.64 -1.26 -4.62 113.62 112.56 3iuy n SER 378 Ca 0.18 -1.68 -0.43 0.00 1.01 0.00 0.00 58.87 57.95 3iuy n SER 378 Cb 0.19 -0.07 -0.03 0.00 -1.01 0.00 0.00 64.21 63.30 3iuy n SER 378 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3iuy s ILE 379 N -1.14 3.66 -0.91 0.44 -1.09 -0.99 -4.20 121.20 116.97 3iuy s ILE 379 Ca 0.19 0.73 0.08 0.00 -2.23 0.00 0.00 60.65 59.43 3iuy s ILE 379 Cb 0.13 -3.71 0.04 0.00 -1.58 0.00 0.00 42.46 37.34 3iuy s ILE 379 CO 0.18 -0.33 0.68 0.35 -1.23 0.00 0.00 174.94 174.60 3iuy n THR 380 N 6.60 0.00 -3.78 2.92 -2.24 -0.70 -4.03 114.28 113.05 3iuy n THR 380 Ca 0.19 -0.47 -0.26 0.00 -2.27 0.00 0.00 64.05 61.24 3iuy n THR 380 Cb 0.46 1.14 -0.17 0.00 -2.10 0.00 0.00 70.33 69.66 3iuy n THR 380 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3iuy s TYR 381 N -0.85 1.03 -0.11 4.78 6.14 -0.88 -1.42 117.35 126.04 3iuy s TYR 381 Ca 0.08 -0.65 0.03 0.00 0.64 0.00 0.00 57.07 57.17 3iuy s TYR 381 Cb 0.07 -1.01 -0.00 0.00 0.42 0.00 0.00 41.96 41.44 3iuy s TYR 381 CO 0.13 -0.51 -0.22 -1.17 0.64 0.00 0.00 175.55 174.43 3iuy s LEU 382 N 1.85 2.20 -0.12 6.97 2.96 -0.01 -1.54 118.68 130.99 3iuy s LEU 382 Ca 0.02 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.43 3iuy s LEU 382 Cb -0.15 -1.45 0.00 0.00 0.50 0.00 0.00 46.19 45.09 3iuy s LEU 382 CO -0.07 0.15 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.20 3iuy s VAL 383 N 0.43 2.14 -0.39 1.68 1.01 0.19 -0.83 120.40 124.64 3iuy s VAL 383 Ca -0.15 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 60.79 3iuy s VAL 383 Cb -0.17 -1.84 0.08 0.00 0.00 0.00 0.00 36.38 34.44 3iuy s VAL 383 CO 0.07 0.55 0.20 -0.63 0.00 0.00 0.00 175.10 175.28 3iuy s ILE 384 N 0.59 3.83 -0.20 2.22 1.01 -0.42 0.00 121.20 128.23 3iuy s ILE 384 Ca -0.12 -1.49 -0.17 0.00 0.00 0.00 0.00 60.65 58.87 3iuy s ILE 384 Cb -0.17 -3.36 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 3iuy s ILE 384 CO 0.03 -0.45 0.47 -0.62 0.00 0.00 0.00 174.94 174.38 3iuy s ASP 385 N 1.85 6.51 -0.68 3.58 3.68 -0.08 -1.29 116.67 130.25 3iuy s ASP 385 Ca 0.02 0.61 -0.03 0.00 2.13 0.00 0.00 52.55 55.28 3iuy s ASP 385 Cb -0.22 -2.27 -0.03 0.00 -1.45 0.00 0.00 42.92 38.95 3iuy s ASP 385 CO 0.01 -0.14 0.59 -0.62 0.13 0.00 0.00 175.17 175.13 3iuy n GLU 386 N 4.69 -2.18 -0.33 4.34 1.02 -0.95 -4.30 120.64 122.93 3iuy n GLU 386 Ca -0.06 0.54 0.07 0.00 -0.02 0.00 0.00 57.16 57.68 3iuy n GLU 386 Cb 0.51 -4.31 0.26 0.00 -0.02 0.00 0.00 31.44 27.88 3iuy n GLU 386 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3iuy h ALA 387 N 0.13 1.57 -0.41 0.62 0.00 -1.42 -1.81 119.26 117.93 3iuy h ALA 387 Ca -0.38 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.60 3iuy h ALA 387 Cb 1.20 -0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.68 3iuy h ALA 387 CO 0.28 0.22 -0.52 0.38 0.00 0.00 0.00 179.25 179.62 3iuy h ASP 388 N 0.97 -1.72 -0.07 0.00 3.04 -1.87 -1.50 116.42 115.26 3iuy h ASP 388 Ca 0.46 0.24 -0.12 0.00 -3.24 0.00 0.00 57.03 54.36 3iuy h ASP 388 Cb 0.43 0.72 -0.01 0.00 -1.04 0.00 0.00 39.33 39.43 3iuy h ASP 388 CO -0.22 -0.39 -0.36 0.50 -2.04 0.00 0.00 179.24 176.73 3iuy h LYS 389 N -0.38 0.57 -0.35 4.15 3.64 -1.82 -2.08 116.57 120.30 3iuy h LYS 389 Ca 0.10 -0.27 0.08 0.00 -1.27 0.00 0.00 60.65 59.29 3iuy h LYS 389 Cb 0.60 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.33 3iuy h LYS 389 CO -0.59 0.84 -0.22 0.52 -2.27 0.00 0.00 179.45 177.73 3iuy h MET 390 N 0.48 -0.16 -0.35 1.90 2.86 -0.97 0.10 114.93 118.79 3iuy h MET 390 Ca 0.05 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 3iuy h MET 390 Cb 0.84 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 3iuy h MET 390 CO 0.07 -0.11 0.06 -0.07 1.06 0.00 0.00 176.91 177.93 3iuy h LEU 391 N -0.16 0.55 -0.92 1.22 4.07 -1.20 -1.29 115.31 117.57 3iuy h LEU 391 Ca 0.18 -0.25 0.10 0.00 0.08 0.00 0.00 57.88 57.99 3iuy h LEU 391 Cb 0.44 -0.15 -0.08 0.00 1.08 0.00 0.00 40.66 41.96 3iuy h LEU 391 CO -0.45 0.66 0.56 0.44 -1.08 0.00 0.00 178.44 178.57 3iuy h ASP 392 N 0.41 0.83 -0.05 -0.43 3.32 -1.13 -0.08 116.42 119.28 3iuy h ASP 392 Ca 0.11 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3iuy h ASP 392 Cb 0.34 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3iuy h ASP 392 CO 0.01 0.47 0.00 0.23 -1.72 0.00 0.00 179.24 178.22 3iuy n MET 393 N -4.66 1.16 -3.61 3.56 2.81 0.33 -4.90 117.12 111.80 3iuy n MET 393 Ca 0.16 -0.24 -0.21 0.00 -1.81 0.00 0.00 57.70 55.60 3iuy n MET 393 Cb 0.29 -1.19 0.05 0.00 -0.71 0.00 0.00 33.22 31.66 3iuy n MET 393 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3iuy n GLU 394 N -0.43 -4.76 0.00 0.03 1.02 -0.04 -4.92 120.64 111.53 3iuy n GLU 394 Ca 0.09 0.67 0.11 0.00 -0.02 0.00 0.00 57.16 58.01 3iuy n GLU 394 Cb 0.09 -5.29 0.05 0.00 -0.02 0.00 0.00 31.44 26.27 3iuy n GLU 394 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3iuy n PHE 395 N -4.15 0.00 -0.23 -0.32 3.72 -0.52 -4.57 117.46 111.39 3iuy n PHE 395 Ca -0.27 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.17 3iuy n PHE 395 Cb 0.67 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 39.35 3iuy n PHE 395 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3iuy h GLU 396 N 3.54 0.26 -0.79 -1.08 4.81 -1.88 0.14 114.58 119.58 3iuy h GLU 396 Ca 0.00 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 3iuy h GLU 396 Cb 0.86 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.13 3iuy h GLU 396 CO 0.00 0.18 0.50 -1.35 -0.73 0.00 0.00 179.01 177.60 3iuy h PRO 397 N 0.27 0.92 -0.73 0.92 0.11 -1.99 0.16 132.00 131.67 3iuy h PRO 397 Ca 0.37 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.39 3iuy h PRO 397 Cb 0.59 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.46 3iuy h PRO 397 CO -0.46 0.61 0.34 1.96 -0.21 0.00 0.00 178.00 180.24 3iuy h GLN 398 N 0.95 1.06 -0.25 1.05 7.50 -1.61 -2.55 115.11 121.26 3iuy h GLN 398 Ca 0.33 -0.16 -0.01 0.00 0.50 0.00 0.00 58.65 59.31 3iuy h GLN 398 Cb 0.07 -0.19 -0.01 0.00 0.05 0.00 0.00 27.48 27.40 3iuy h GLN 398 CO -0.13 0.84 0.13 0.82 -1.50 0.00 0.00 178.83 178.99 3iuy h ILE 399 N 1.03 1.13 -0.57 2.54 2.04 0.03 -1.03 117.51 122.68 3iuy h ILE 399 Ca 0.25 -0.34 0.07 0.00 1.00 0.00 0.00 64.86 65.84 3iuy h ILE 399 Cb 0.14 0.89 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 3iuy h ILE 399 CO -0.03 0.12 0.26 -0.09 0.00 0.00 0.00 178.15 178.41 3iuy h ARG 400 N 0.29 0.47 -0.40 2.37 2.43 -0.92 -0.72 114.38 117.89 3iuy h ARG 400 Ca 0.09 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 3iuy h ARG 400 Cb 0.08 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3iuy h ARG 400 CO -0.01 0.31 0.07 0.87 -1.51 0.00 0.00 179.97 179.69 3iuy h LYS 401 N 0.48 0.67 -0.52 0.20 1.57 -1.15 -2.36 116.57 115.45 3iuy h LYS 401 Ca 0.27 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 3iuy h LYS 401 Cb 0.25 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3iuy h LYS 401 CO -0.23 0.71 0.15 0.82 -0.57 0.00 0.00 179.45 180.34 3iuy h ILE 402 N 0.52 1.24 0.00 1.86 2.04 -0.79 -2.29 117.51 120.08 3iuy h ILE 402 Ca 0.12 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.18 3iuy h ILE 402 Cb 0.37 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3iuy h ILE 402 CO 0.01 0.30 0.00 -0.07 0.00 0.00 0.00 178.15 178.38 3iuy h LEU 403 N 0.72 0.00 0.05 1.44 3.38 -1.06 -2.02 115.31 117.83 3iuy h LEU 403 Ca 0.17 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.86 3iuy h LEU 403 Cb 0.29 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.06 3iuy h LEU 403 CO -0.00 0.00 -1.19 0.25 0.09 0.00 0.00 178.44 177.59 3iuy h LEU 404 N 0.00 0.65 -0.17 1.67 5.85 -0.87 -3.30 115.31 119.14 3iuy h LEU 404 Ca 0.00 -0.61 -0.12 0.00 0.84 0.00 0.00 57.88 57.99 3iuy h LEU 404 Cb 0.33 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3iuy h LEU 404 CO 0.00 1.44 -0.57 0.44 -0.34 0.00 0.00 178.44 179.41 3iuy h ASP 405 N 0.19 0.00 -4.06 1.25 3.32 -1.09 -3.46 116.42 112.58 3iuy h ASP 405 Ca -0.15 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.40 3iuy h ASP 405 Cb 1.87 0.00 0.07 0.00 0.22 0.00 0.00 39.33 41.48 3iuy h ASP 405 CO 0.21 0.57 0.45 -0.69 -1.72 0.00 0.00 179.24 178.06 3iuy s VAL 406 N -3.03 3.19 0.17 -1.35 1.01 -0.81 -4.47 120.40 115.12 3iuy s VAL 406 Ca 0.03 0.79 -0.33 0.00 0.00 0.00 0.00 61.98 62.47 3iuy s VAL 406 Cb 0.09 -3.35 -0.13 0.00 0.00 0.00 0.00 36.38 32.99 3iuy s VAL 406 CO 0.75 -0.11 1.69 -1.14 0.00 0.00 0.00 175.10 176.29 3iuy n ARG 407 N -1.01 2.55 -0.28 2.72 0.63 -1.23 -4.94 116.66 115.11 3iuy n ARG 407 Ca 0.10 0.92 -0.01 0.00 -0.92 0.00 0.00 57.85 57.94 3iuy n ARG 407 Cb 0.50 -2.75 0.11 0.00 0.45 0.00 0.00 32.46 30.77 3iuy n ARG 407 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 3iuy h PRO 408 N 6.76 0.87 -5.24 -0.14 0.13 -1.92 -3.39 132.00 129.07 3iuy h PRO 408 Ca -0.44 -0.05 -0.65 0.00 -0.87 0.00 0.00 66.00 63.98 3iuy h PRO 408 Cb 1.22 -0.20 -0.16 0.00 0.13 0.00 0.00 31.00 32.00 3iuy h PRO 408 CO 0.93 0.57 0.36 0.16 -0.23 0.00 0.00 178.00 179.80 3iuy s ASP 409 N -5.74 6.21 -0.03 1.44 -4.77 -1.26 -4.98 116.67 107.53 3iuy s ASP 409 Ca -0.13 -1.00 -0.22 0.00 -3.30 0.00 0.00 52.55 47.90 3iuy s ASP 409 Cb 0.17 -2.37 0.04 0.00 -1.09 0.00 0.00 42.92 39.67 3iuy s ASP 409 CO 0.78 -1.25 0.48 0.00 0.70 0.00 0.00 175.17 175.88 3iuy s ARG 410 N 3.48 0.86 0.11 2.11 1.70 -1.26 -4.78 118.95 121.16 3iuy s ARG 410 Ca 0.20 -0.00 -0.23 0.00 -0.47 0.00 0.00 55.73 55.22 3iuy s ARG 410 Cb -0.18 0.39 -0.07 0.00 -0.57 0.00 0.00 34.95 34.52 3iuy s ARG 410 CO 0.11 -0.26 0.70 -1.14 -1.08 0.00 0.00 175.30 173.63 3iuy s GLN 411 N -1.33 4.43 -0.05 3.89 0.74 -0.51 -4.96 119.66 121.86 3iuy s GLN 411 Ca -0.12 0.98 0.03 0.00 0.05 0.00 0.00 55.36 56.30 3iuy s GLN 411 Cb -0.03 -3.28 0.00 0.00 1.10 0.00 0.00 33.01 30.81 3iuy s GLN 411 CO 0.06 0.53 -0.14 0.99 -0.55 0.00 0.00 175.29 176.18 3iuy s THR 412 N -0.90 1.26 -0.04 -0.34 2.01 -1.26 -0.83 115.64 115.55 3iuy s THR 412 Ca 0.34 -0.59 0.06 0.00 0.31 0.00 0.00 61.69 61.81 3iuy s THR 412 Cb -0.21 -1.11 -0.02 0.00 0.01 0.00 0.00 72.50 71.16 3iuy s THR 412 CO 0.23 0.38 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.63 3iuy s VAL 413 N 0.35 2.43 -0.02 3.82 1.01 -0.01 -1.99 120.40 125.98 3iuy s VAL 413 Ca -0.09 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 60.96 3iuy s VAL 413 Cb -0.13 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.35 3iuy s VAL 413 CO 0.03 0.58 -0.12 -0.32 0.00 0.00 0.00 175.10 175.27 3iuy s MET 414 N -0.55 1.13 0.21 2.72 1.75 0.28 -1.30 119.30 123.54 3iuy s MET 414 Ca 0.08 -0.41 0.12 0.00 -1.25 0.00 0.00 55.69 54.22 3iuy s MET 414 Cb -0.11 -1.05 -0.05 0.00 2.84 0.00 0.00 34.83 36.47 3iuy s MET 414 CO 0.00 0.20 -0.23 0.95 -0.65 0.00 0.00 175.02 175.29 3iuy s THR 415 N -0.02 2.37 -0.13 10.11 -4.23 -0.41 0.27 115.64 123.61 3iuy s THR 415 Ca -0.00 -2.12 -0.29 0.00 -1.18 0.00 0.00 61.69 58.10 3iuy s THR 415 Cb -0.08 -2.16 0.09 0.00 1.34 0.00 0.00 72.50 71.69 3iuy s THR 415 CO 0.00 -0.18 0.78 -0.55 -0.54 0.00 0.00 174.62 174.13 3iuy s SER 416 N -2.86 -0.59 0.16 3.99 0.15 0.08 -1.27 113.70 113.36 3iuy s SER 416 Ca 0.23 0.79 -0.01 0.00 0.70 0.00 0.00 55.95 57.65 3iuy s SER 416 Cb -0.07 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 3iuy s SER 416 CO 0.11 -0.45 1.38 0.00 1.20 0.00 0.00 173.24 175.48 3iuy h ALA 417 N 3.34 0.52 -2.28 5.45 0.00 -1.86 0.63 119.26 125.05 3iuy h ALA 417 Ca -0.26 -0.66 -0.37 0.00 0.00 0.00 0.00 54.91 53.62 3iuy h ALA 417 Cb 1.15 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.75 3iuy h ALA 417 CO 0.29 0.81 -0.61 0.95 0.00 0.00 0.00 179.25 180.70 3iuy s THR 418 N -3.41 0.63 -0.49 0.00 -4.23 -1.26 -4.31 115.64 102.56 3iuy s THR 418 Ca -0.05 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.54 3iuy s THR 418 Cb 0.10 -2.65 0.34 0.00 1.34 0.00 0.00 72.50 71.63 3iuy s THR 418 CO 0.84 0.00 0.85 1.87 -0.54 0.00 0.00 174.62 177.65 3iuy n TRP 419 N -0.51 2.42 -1.50 3.99 -0.00 -1.26 -4.81 117.44 115.78 3iuy n TRP 419 Ca -0.00 -3.92 -0.30 0.00 -0.00 0.00 0.00 57.50 53.27 3iuy n TRP 419 Cb 0.66 -0.46 0.22 0.00 -0.00 0.00 0.00 31.31 31.74 3iuy n TRP 419 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 3iuy s PRO 420 N -3.02 -0.51 0.25 5.87 0.04 -1.26 -4.77 135.00 131.60 3iuy s PRO 420 Ca 0.45 -0.32 0.06 0.00 0.04 0.00 0.00 61.00 61.23 3iuy s PRO 420 Cb 0.31 -1.70 0.30 0.00 0.04 0.00 0.00 34.50 33.44 3iuy s PRO 420 CO -0.11 -3.20 1.59 -0.44 0.04 0.00 0.00 177.00 174.88 3iuy h ASP 421 N -2.21 0.23 -0.33 6.66 3.32 -1.98 -0.80 116.42 121.31 3iuy h ASP 421 Ca -0.44 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.47 3iuy h ASP 421 Cb 1.25 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 3iuy h ASP 421 CO 0.32 0.75 0.16 0.71 -1.72 0.00 0.00 179.24 179.47 3iuy h THR 422 N 0.15 1.14 0.17 0.35 1.35 -2.00 0.12 112.91 114.19 3iuy h THR 422 Ca -0.00 -0.40 -0.26 0.00 -0.55 0.00 0.00 66.41 65.20 3iuy h THR 422 Cb 1.06 0.68 0.03 0.00 -1.73 0.00 0.00 68.15 68.18 3iuy h THR 422 CO 0.09 0.16 -1.11 0.58 -0.25 0.00 0.00 175.52 174.99 3iuy h VAL 423 N 0.52 1.38 -0.64 6.82 2.07 -1.84 -2.87 116.25 121.69 3iuy h VAL 423 Ca 0.13 -2.54 0.12 0.00 0.82 0.00 0.00 66.70 65.23 3iuy h VAL 423 Cb 0.08 3.01 -0.09 0.00 -1.52 0.00 0.00 31.29 32.77 3iuy h VAL 423 CO -0.02 0.75 0.18 0.03 0.02 0.00 0.00 177.57 178.53 3iuy h ARG 424 N -0.05 0.31 -0.00 1.57 3.08 -0.78 -0.77 114.38 117.74 3iuy h ARG 424 Ca -0.19 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 3iuy h ARG 424 Cb 1.85 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.83 3iuy h ARG 424 CO 0.21 0.21 0.00 1.96 -1.07 0.00 0.00 179.97 181.28 3iuy h GLN 425 N 0.32 0.00 -0.73 0.04 7.50 -0.81 0.95 115.11 122.39 3iuy h GLN 425 Ca 0.34 -0.00 0.15 0.00 0.50 0.00 0.00 58.65 59.64 3iuy h GLN 425 Cb 0.50 -0.00 -0.10 0.00 0.05 0.00 0.00 27.48 27.93 3iuy h GLN 425 CO -0.40 0.17 0.24 1.25 -1.50 0.00 0.00 178.83 178.59 3iuy h LEU 426 N -0.16 0.15 -0.36 1.46 5.85 -1.31 -1.87 115.31 119.06 3iuy h LEU 426 Ca 0.00 0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 3iuy h LEU 426 Cb 0.17 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3iuy h LEU 426 CO -0.00 0.04 -0.08 0.00 -0.34 0.00 0.00 178.44 178.06 3iuy h ALA 427 N 1.56 0.50 0.00 1.25 0.00 -0.81 -3.01 119.26 118.75 3iuy h ALA 427 Ca 0.40 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3iuy h ALA 427 Cb 0.65 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3iuy h ALA 427 CO -0.44 0.34 -0.03 -0.07 0.00 0.00 0.00 179.25 179.04 3iuy h LEU 428 N 0.49 0.00 -1.78 0.00 4.07 -0.38 -1.94 115.31 115.76 3iuy h LEU 428 Ca 0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.05 3iuy h LEU 428 Cb 0.58 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.32 3iuy h LEU 428 CO 0.03 0.03 -0.00 -1.54 -1.08 0.00 0.00 178.44 175.88 3iuy n SER 429 N -3.19 2.69 0.00 -0.43 3.41 -0.74 -4.58 113.62 110.78 3iuy n SER 429 Ca -0.01 -1.84 0.00 0.00 -0.26 0.00 0.00 58.87 56.76 3iuy n SER 429 Cb 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 3iuy n SER 429 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3iuy n TYR 430 N 1.14 0.00 -4.24 7.33 4.01 -1.11 -5.06 117.16 119.23 3iuy n TYR 430 Ca 0.12 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.51 3iuy n TYR 430 Cb 0.51 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.44 3iuy n TYR 430 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3iuy s LEU 431 N -2.08 3.66 -0.10 7.72 1.43 -0.75 -4.97 118.68 123.58 3iuy s LEU 431 Ca 0.00 0.11 -0.20 0.00 -1.03 0.00 0.00 54.13 53.01 3iuy s LEU 431 Cb 0.00 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 3iuy s LEU 431 CO 0.00 0.29 0.55 -0.54 0.23 0.00 0.00 176.35 176.88 3iuy s LYS 432 N -0.35 4.37 -0.90 1.70 3.01 -1.26 -4.58 119.74 121.72 3iuy s LYS 432 Ca 0.08 0.59 -0.23 0.00 -1.01 0.00 0.00 55.97 55.39 3iuy s LYS 432 Cb -0.12 -3.44 0.03 0.00 -1.01 0.00 0.00 37.83 33.29 3iuy s LYS 432 CO 0.02 0.12 0.52 -0.25 0.51 0.00 0.00 175.35 176.27 3iuy n ASP 433 N 3.74 -3.31 -4.84 2.83 8.00 -1.26 -4.18 116.55 117.53 3iuy n ASP 433 Ca -0.05 -0.99 -0.32 0.00 0.71 0.00 0.00 54.79 54.14 3iuy n ASP 433 Cb 0.51 -1.24 -0.03 0.00 -0.02 0.00 0.00 41.12 40.34 3iuy n ASP 433 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3iuy s PRO 434 N -6.52 3.93 0.33 -0.24 0.04 -1.26 -4.41 135.00 126.88 3iuy s PRO 434 Ca 0.32 0.98 0.07 0.00 0.04 0.00 0.00 61.00 62.41 3iuy s PRO 434 Cb -0.18 -2.13 -0.01 0.00 0.04 0.00 0.00 34.50 32.21 3iuy s PRO 434 CO 0.76 -0.29 0.44 -1.64 0.04 0.00 0.00 177.00 176.31 3iuy s MET 435 N -4.03 3.06 -0.02 4.56 -1.94 -0.71 -1.71 119.30 118.52 3iuy s MET 435 Ca 0.59 -1.05 0.01 0.00 -1.71 0.00 0.00 55.69 53.53 3iuy s MET 435 Cb -0.10 -2.77 0.01 0.00 2.01 0.00 0.00 34.83 33.98 3iuy s MET 435 CO 0.31 0.07 -0.05 -1.50 -0.01 0.00 0.00 175.02 173.84 3iuy s ILE 436 N -2.19 0.45 -0.15 2.53 2.07 -0.90 -0.94 121.20 122.07 3iuy s ILE 436 Ca 0.44 -0.17 0.01 0.00 -1.41 0.00 0.00 60.65 59.52 3iuy s ILE 436 Cb -0.09 -0.42 0.00 0.00 0.13 0.00 0.00 42.46 42.08 3iuy s ILE 436 CO 0.30 0.16 -0.18 -0.69 -1.91 0.00 0.00 174.94 172.62 3iuy s VAL 437 N 0.30 2.43 -0.12 4.00 1.01 0.15 -1.95 120.40 126.22 3iuy s VAL 437 Ca -0.03 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 3iuy s VAL 437 Cb -0.07 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3iuy s VAL 437 CO -0.00 0.53 0.06 -0.31 0.00 0.00 0.00 175.10 175.37 3iuy s TYR 438 N 0.79 3.31 -2.00 5.22 2.02 0.71 -0.51 117.35 126.90 3iuy s TYR 438 Ca -0.06 0.26 0.09 0.00 -0.37 0.00 0.00 57.07 56.99 3iuy s TYR 438 Cb -0.15 -1.91 0.55 0.00 -0.40 0.00 0.00 41.96 40.05 3iuy s TYR 438 CO -0.00 0.47 1.00 0.28 -1.57 0.00 0.00 175.55 175.72