#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iad h GLU 255 N 0.00 0.00 -0.01 3.69 4.22 -2.00 -2.11 114.58 118.37 3iad h GLU 255 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 3iad h GLU 255 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3iad h GLU 255 CO 0.00 0.17 -0.00 -0.44 -2.18 0.00 0.00 179.01 176.56 3iad h ASP 256 N 0.00 0.02 -0.07 1.04 5.19 -2.01 -2.76 116.42 117.83 3iad h ASP 256 Ca -0.00 -0.38 -0.10 0.00 -0.62 0.00 0.00 57.03 55.93 3iad h ASP 256 Cb 0.45 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 3iad h ASP 256 CO 0.02 0.39 -0.27 0.58 -3.12 0.00 0.00 179.24 176.85 3iad h VAL 257 N -0.36 1.27 0.05 -1.35 2.07 -1.93 -1.74 116.25 114.26 3iad h VAL 257 Ca 0.00 -1.31 0.02 0.00 0.82 0.00 0.00 66.70 66.24 3iad h VAL 257 Cb 0.39 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 3iad h VAL 257 CO 0.00 0.42 -0.22 0.25 0.02 0.00 0.00 177.57 178.04 3iad h LEU 258 N 0.45 -0.64 -0.88 2.57 6.46 -1.46 -2.16 115.31 119.65 3iad h LEU 258 Ca 0.06 0.08 0.05 0.00 -0.12 0.00 0.00 57.88 57.96 3iad h LEU 258 Cb 0.70 0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 40.83 3iad h LEU 258 CO 0.05 -0.30 0.56 0.00 -0.62 0.00 0.00 178.44 178.13 3iad h ALA 259 N 0.45 1.19 -0.58 1.25 0.00 -1.13 -1.86 119.26 118.58 3iad h ALA 259 Ca 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3iad h ALA 259 Cb 0.43 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3iad h ALA 259 CO -0.17 0.35 0.29 0.87 0.00 0.00 0.00 179.25 180.59 3iad h LYS 260 N 1.05 0.82 -0.29 0.00 1.57 -1.12 -2.35 116.57 116.26 3iad h LYS 260 Ca 0.37 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 59.00 3iad h LYS 260 Cb 0.10 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3iad h LYS 260 CO -0.15 0.66 0.01 0.93 -0.57 0.00 0.00 179.45 180.33 3iad h GLU 261 N 0.78 0.43 0.00 3.15 4.39 -0.93 -2.70 114.58 119.70 3iad h GLU 261 Ca 0.20 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.82 3iad h GLU 261 Cb 0.10 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3iad h GLU 261 CO -0.03 0.45 0.00 1.28 -1.16 0.00 0.00 179.01 179.55 3iad n LEU 262 N -4.32 0.00 0.27 1.33 4.77 -0.74 -2.11 117.00 116.19 3iad n LEU 262 Ca 0.01 0.31 0.17 0.00 -0.03 0.00 0.00 56.01 56.47 3iad n LEU 262 Cb 0.21 -0.31 0.66 0.00 -2.33 0.00 0.00 43.42 41.65 3iad n LEU 262 CO 0.38 -0.07 0.98 -0.33 -1.33 0.00 0.00 177.39 177.02 3iad h GLU 263 N 0.00 0.00 -0.24 3.23 5.08 -1.31 -2.89 114.58 118.46 3iad h GLU 263 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3iad h GLU 263 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3iad h GLU 263 CO 0.00 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.76 3iad n ASP 264 N -3.03 1.42 0.30 1.42 8.00 -0.90 -4.44 116.55 119.32 3iad n ASP 264 Ca 0.01 -1.90 0.15 0.00 0.71 0.00 0.00 54.79 53.76 3iad n ASP 264 Cb 0.31 -0.16 0.92 0.00 -0.02 0.00 0.00 41.12 42.17 3iad n ASP 264 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 3iad h VAL 265 N 1.64 0.50 -0.00 2.53 3.04 -1.69 0.34 116.25 122.60 3iad h VAL 265 Ca 0.00 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 3iad h VAL 265 Cb 0.37 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 3iad h VAL 265 CO 0.00 0.01 -0.15 0.59 -1.01 0.00 0.00 177.57 177.01 3iad n ASN 266 N -3.79 0.56 -4.74 3.17 3.02 -1.26 -4.81 115.26 107.42 3iad n ASN 266 Ca -0.03 -0.57 -0.35 0.00 -0.03 0.00 0.00 54.58 53.60 3iad n ASN 266 Cb 0.10 -0.04 -0.08 0.00 -0.61 0.00 0.00 39.78 39.15 3iad n ASN 266 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3iad s LYS 267 N -2.53 3.06 0.37 3.52 1.02 0.11 -4.82 119.74 120.47 3iad s LYS 267 Ca 0.26 -0.39 -0.28 0.00 0.02 0.00 0.00 55.97 55.58 3iad s LYS 267 Cb 0.20 -2.87 -0.11 0.00 -0.52 0.00 0.00 37.83 34.53 3iad s LYS 267 CO 0.50 0.70 1.47 -0.46 -0.92 0.00 0.00 175.35 176.63 3iad s TRP 268 N -0.99 2.64 0.00 3.18 -0.11 -1.26 -3.07 118.94 119.33 3iad s TRP 268 Ca 0.16 1.19 0.00 0.00 1.22 0.00 0.00 56.10 58.67 3iad s TRP 268 Cb -0.12 -3.98 0.00 0.00 -1.50 0.00 0.00 33.47 27.87 3iad s TRP 268 CO 0.06 -2.87 0.00 0.41 -4.62 0.00 0.00 176.95 169.93 3iad n GLY 269 N 0.52 0.49 3.67 5.86 0.00 -1.26 -5.00 105.19 109.46 3iad n GLY 269 Ca 0.01 -0.85 -0.44 0.00 0.00 0.00 0.00 46.02 44.74 3iad n GLY 269 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3iad n LEU 270 N 0.00 3.03 -3.83 0.99 7.94 -1.17 -4.86 117.00 119.10 3iad n LEU 270 Ca 0.00 1.19 -0.42 0.00 -1.11 0.00 0.00 56.01 55.67 3iad n LEU 270 Cb 0.38 -1.42 -0.00 0.00 0.53 0.00 0.00 43.42 42.90 3iad n LEU 270 CO 0.00 -0.70 2.58 1.41 -1.11 0.00 0.00 177.39 179.57 3iad n HIS 271 N 0.67 3.60 -0.11 1.96 8.25 -1.26 -4.76 115.22 123.57 3iad n HIS 271 Ca 0.07 -2.91 0.03 0.00 -0.26 0.00 0.00 57.72 54.65 3iad n HIS 271 Cb 0.34 -2.54 0.34 0.00 1.12 0.00 0.00 29.99 29.25 3iad n HIS 271 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 3iad h VAL 272 N 4.21 1.14 -0.36 1.59 3.04 -1.99 -2.46 116.25 121.42 3iad h VAL 272 Ca 0.55 -0.27 -0.16 0.00 -1.01 0.00 0.00 66.70 65.82 3iad h VAL 272 Cb 0.67 0.30 -0.01 0.00 -2.01 0.00 0.00 31.29 30.24 3iad h VAL 272 CO 1.84 0.14 -0.40 -0.26 -1.01 0.00 0.00 177.57 177.88 3iad h PHE 273 N 0.77 1.06 -0.89 3.17 0.04 -1.96 -1.78 116.94 117.36 3iad h PHE 273 Ca 0.22 -0.32 -0.02 0.00 2.80 0.00 0.00 57.97 60.65 3iad h PHE 273 Cb -0.06 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 37.83 3iad h PHE 273 CO -0.00 1.13 0.47 -0.09 -0.60 0.00 0.00 178.31 179.23 3iad h ARG 274 N 0.72 1.25 -0.63 1.51 9.65 -1.87 -2.21 114.38 122.80 3iad h ARG 274 Ca 0.06 -0.16 -0.04 0.00 -1.10 0.00 0.00 59.98 58.74 3iad h ARG 274 Cb 0.98 -0.24 -0.03 0.00 -1.39 0.00 0.00 29.97 29.29 3iad h ARG 274 CO 0.09 0.93 0.22 0.82 2.80 0.00 0.00 179.97 184.83 3iad h ILE 275 N 1.25 1.23 -0.55 1.20 2.04 -1.30 0.53 117.51 121.91 3iad h ILE 275 Ca 0.31 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 3iad h ILE 275 Cb 0.05 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 3iad h ILE 275 CO -0.05 0.30 0.29 0.00 0.00 0.00 0.00 178.15 178.69 3iad h ALA 276 N 1.32 1.48 0.04 1.87 0.00 -0.81 -0.70 119.26 122.46 3iad h ALA 276 Ca 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3iad h ALA 276 Cb 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3iad h ALA 276 CO -0.01 0.43 -0.02 0.93 0.00 0.00 0.00 179.25 180.58 3iad h GLU 277 N 0.76 -0.05 -0.40 0.00 5.08 -0.89 0.47 114.58 119.55 3iad h GLU 277 Ca 0.19 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3iad h GLU 277 Cb 0.04 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3iad h GLU 277 CO -0.03 0.59 0.21 -0.07 -1.00 0.00 0.00 179.01 178.71 3iad h LEU 278 N -0.79 0.48 -0.36 1.33 3.38 -0.82 -2.28 115.31 116.26 3iad h LEU 278 Ca -0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3iad h LEU 278 Cb 0.67 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3iad h LEU 278 CO 0.01 0.40 -0.02 -1.54 0.09 0.00 0.00 178.44 177.38 3iad n SER 279 N -4.42 0.58 -1.96 -0.43 3.41 -0.28 -4.92 113.62 105.60 3iad n SER 279 Ca 0.03 -1.07 -0.08 0.00 -0.26 0.00 0.00 58.87 57.49 3iad n SER 279 Cb 0.10 -0.02 0.04 0.00 -0.26 0.00 0.00 64.21 64.07 3iad n SER 279 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iad n GLY 280 N 1.12 0.16 3.21 5.00 0.00 -0.86 -3.54 105.19 110.28 3iad n GLY 280 Ca 0.20 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 3iad n GLY 280 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3iad n ASN 281 N -1.52 -5.52 -2.49 1.61 5.15 0.16 -4.97 115.26 107.69 3iad n ASN 281 Ca -0.09 -0.44 -0.15 0.00 -0.60 0.00 0.00 54.58 53.30 3iad n ASN 281 Cb 0.56 -4.22 0.03 0.00 -0.53 0.00 0.00 39.78 35.62 3iad n ASN 281 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3iad n ARG 282 N -4.18 2.52 0.02 1.20 5.12 -1.23 -4.90 116.66 115.21 3iad n ARG 282 Ca 0.00 -3.87 -0.04 0.00 -1.93 0.00 0.00 57.85 52.01 3iad n ARG 282 Cb 0.55 -1.86 0.17 0.00 -1.16 0.00 0.00 32.46 30.16 3iad n ARG 282 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3iad h PRO 283 N 2.57 0.46 -0.15 5.56 0.13 -1.83 -2.23 132.00 136.51 3iad h PRO 283 Ca 0.11 -0.20 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 3iad h PRO 283 Cb 1.24 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 3iad h PRO 283 CO 0.57 0.74 0.03 1.25 -0.23 0.00 0.00 178.00 180.36 3iad h LEU 284 N 0.39 0.23 0.32 1.56 5.85 -1.91 -1.22 115.31 120.53 3iad h LEU 284 Ca 0.05 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 3iad h LEU 284 Cb 0.77 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.75 3iad h LEU 284 CO 0.06 0.40 -0.15 0.74 -0.34 0.00 0.00 178.44 179.15 3iad h THR 285 N 0.04 0.70 -0.00 1.05 2.02 -1.82 -1.16 112.91 113.74 3iad h THR 285 Ca 0.05 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 3iad h THR 285 Cb 0.26 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 3iad h THR 285 CO 0.00 0.02 0.00 0.58 0.37 0.00 0.00 175.52 176.49 3iad h VAL 286 N -0.47 1.05 -0.23 3.16 2.07 -1.44 -1.10 116.25 119.29 3iad h VAL 286 Ca -0.04 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 3iad h VAL 286 Cb 0.35 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3iad h VAL 286 CO 0.07 0.03 0.08 0.40 0.02 0.00 0.00 177.57 178.18 3iad h ILE 287 N -0.06 1.18 -0.79 4.57 2.04 -1.22 -1.66 117.51 121.58 3iad h ILE 287 Ca 0.00 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.31 3iad h ILE 287 Cb 0.06 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 3iad h ILE 287 CO -0.00 0.19 0.52 0.24 0.00 0.00 0.00 178.15 179.09 3iad h MET 288 N 0.21 1.00 -0.24 2.37 2.86 -1.18 -1.15 114.93 118.80 3iad h MET 288 Ca 0.08 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3iad h MET 288 Cb 0.21 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 3iad h MET 288 CO -0.00 0.66 0.15 1.25 1.06 0.00 0.00 176.91 180.03 3iad h HIS 289 N 1.03 0.31 -0.68 -0.22 -0.00 -1.00 -0.51 115.15 114.08 3iad h HIS 289 Ca 0.30 0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.71 3iad h HIS 289 Cb -0.05 -0.10 -0.05 0.00 -0.00 0.00 0.00 27.41 27.21 3iad h HIS 289 CO -0.02 0.23 0.41 1.15 -0.00 0.00 0.00 177.93 179.70 3iad h THR 290 N 0.31 1.06 -0.38 6.26 2.02 -0.97 -1.98 112.91 119.22 3iad h THR 290 Ca 0.09 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 66.94 3iad h THR 290 Cb 0.01 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 3iad h THR 290 CO -0.02 0.15 0.03 0.40 0.37 0.00 0.00 175.52 176.45 3iad h ILE 291 N 0.80 1.25 -0.57 3.11 2.04 -0.94 -1.87 117.51 121.32 3iad h ILE 291 Ca 0.28 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 3iad h ILE 291 Cb 0.07 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 3iad h ILE 291 CO -0.13 0.31 0.33 -0.26 0.00 0.00 0.00 178.15 178.40 3iad h PHE 292 N 0.48 0.76 0.15 1.37 -1.00 -0.88 -1.17 116.94 116.64 3iad h PHE 292 Ca 0.11 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.87 3iad h PHE 292 Cb 0.41 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 39.73 3iad h PHE 292 CO 0.03 0.54 -0.07 1.96 -1.61 0.00 0.00 178.31 179.16 3iad h GLN 293 N 0.76 -0.19 -0.68 1.51 1.08 -1.33 0.23 115.11 116.50 3iad h GLN 293 Ca 0.20 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.50 3iad h GLN 293 Cb 0.01 0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 27.42 3iad h GLN 293 CO -0.04 0.11 0.33 1.49 -0.95 0.00 0.00 178.83 179.77 3iad h GLU 294 N -0.50 0.56 0.00 1.46 4.81 -1.30 0.19 114.58 119.80 3iad h GLU 294 Ca -0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3iad h GLU 294 Cb 0.39 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3iad h GLU 294 CO 0.03 0.37 0.00 0.54 -0.73 0.00 0.00 179.01 179.22 3iad n ARG 295 N -4.88 0.42 -2.65 1.92 1.74 -0.45 -4.92 116.66 107.85 3iad n ARG 295 Ca 0.10 0.01 -0.17 0.00 -0.77 0.00 0.00 57.85 57.02 3iad n ARG 295 Cb 0.25 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.21 3iad n ARG 295 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3iad n ASP 296 N -1.28 -4.95 0.21 0.55 2.03 0.68 -4.91 116.55 108.88 3iad n ASP 296 Ca 0.14 -0.15 0.10 0.00 0.52 0.00 0.00 54.79 55.40 3iad n ASP 296 Cb 0.23 -3.89 0.30 0.00 -0.72 0.00 0.00 41.12 37.04 3iad n ASP 296 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3iad h LEU 297 N -0.70 0.00 -0.39 -2.67 3.38 -0.89 -2.60 115.31 111.44 3iad h LEU 297 Ca -0.40 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.45 3iad h LEU 297 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 3iad h LEU 297 CO 0.44 0.19 -0.25 -0.07 0.09 0.00 0.00 178.44 178.83 3iad h LEU 298 N 0.00 0.89 -0.09 1.67 4.07 -1.87 -2.66 115.31 117.32 3iad h LEU 298 Ca -0.00 -0.43 -0.02 0.00 0.08 0.00 0.00 57.88 57.51 3iad h LEU 298 Cb 0.94 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 42.43 3iad h LEU 298 CO 0.02 1.13 -0.02 0.50 -1.08 0.00 0.00 178.44 178.99 3iad h LYS 299 N 0.66 0.17 -0.50 1.13 3.64 -1.84 -0.27 116.57 119.56 3iad h LYS 299 Ca 0.08 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3iad h LYS 299 Cb 0.83 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 3iad h LYS 299 CO 0.07 0.49 0.18 1.15 -2.27 0.00 0.00 179.45 179.07 3iad h THR 300 N -0.16 1.19 -0.24 1.00 2.02 -1.49 -2.83 112.91 112.42 3iad h THR 300 Ca 0.02 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.58 3iad h THR 300 Cb 0.42 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3iad h THR 300 CO 0.01 0.24 0.00 0.49 0.37 0.00 0.00 175.52 176.63 3iad n PHE 301 N -4.34 0.40 -3.72 3.16 3.72 -1.01 -5.02 117.46 110.66 3iad n PHE 301 Ca 0.04 -0.58 -0.32 0.00 -0.05 0.00 0.00 57.45 56.54 3iad n PHE 301 Cb 0.17 -0.08 0.03 0.00 -0.94 0.00 0.00 39.48 38.66 3iad n PHE 301 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3iad n LYS 302 N 0.04 -1.07 -3.60 -1.08 5.02 -0.40 -4.50 118.16 112.56 3iad n LYS 302 Ca 0.11 0.48 -0.38 0.00 -2.02 0.00 0.00 58.31 56.49 3iad n LYS 302 Cb 0.47 -3.76 -0.11 0.00 -0.02 0.00 0.00 35.03 31.60 3iad n LYS 302 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3iad s ILE 303 N -3.40 5.15 0.29 -0.18 1.01 -0.25 -4.55 121.20 119.27 3iad s ILE 303 Ca 0.41 0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.77 3iad s ILE 303 Cb -0.16 -3.50 -0.12 0.00 0.01 0.00 0.00 42.46 38.69 3iad s ILE 303 CO 0.88 0.19 1.55 -2.65 0.00 0.00 0.00 174.94 174.91 3iad n PRO 304 N 5.05 2.57 -0.13 2.79 -0.02 -1.26 -4.79 135.00 139.22 3iad n PRO 304 Ca -0.14 0.91 -0.04 0.00 -2.02 0.00 0.00 63.50 62.21 3iad n PRO 304 Cb 0.51 -2.67 0.04 0.00 -0.02 0.00 0.00 33.50 31.36 3iad n PRO 304 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3iad h VAL 305 N 3.25 0.76 -0.76 -1.45 2.07 -1.97 -1.55 116.25 116.60 3iad h VAL 305 Ca -0.47 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 3iad h VAL 305 Cb 1.24 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 3iad h VAL 305 CO 0.77 0.03 0.28 -2.24 0.02 0.00 0.00 177.57 176.43 3iad h ASP 306 N 0.19 1.06 0.01 0.57 -0.00 -1.97 -2.10 116.42 114.18 3iad h ASP 306 Ca 0.20 -0.18 -0.07 0.00 -0.00 0.00 0.00 57.03 56.99 3iad h ASP 306 Cb 0.26 -0.28 -0.01 0.00 -0.00 0.00 0.00 39.33 39.30 3iad h ASP 306 CO -0.29 0.96 -0.20 0.74 -0.00 0.00 0.00 179.24 180.45 3iad h THR 307 N 1.11 1.23 -0.04 1.15 2.02 -1.66 -2.19 112.91 114.54 3iad h THR 307 Ca 0.25 -1.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.35 3iad h THR 307 Cb 0.25 1.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 3iad h THR 307 CO -0.02 0.33 -0.03 0.25 0.37 0.00 0.00 175.52 176.42 3iad h LEU 308 N 0.31 0.09 -0.53 2.58 5.85 -0.81 -2.48 115.31 120.32 3iad h LEU 308 Ca 0.05 -0.48 -0.09 0.00 0.84 0.00 0.00 57.88 58.21 3iad h LEU 308 Cb 0.53 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3iad h LEU 308 CO 0.04 0.56 -0.00 0.40 -0.34 0.00 0.00 178.44 179.09 3iad h ILE 309 N -0.37 1.26 -0.43 4.05 2.04 -1.36 -1.40 117.51 121.31 3iad h ILE 309 Ca 0.01 -1.11 0.01 0.00 1.00 0.00 0.00 64.86 64.76 3iad h ILE 309 Cb 0.53 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 3iad h ILE 309 CO 0.01 0.39 0.29 0.74 0.00 0.00 0.00 178.15 179.58 3iad h THR 310 N 0.81 1.11 -0.33 -0.27 2.02 -1.46 0.12 112.91 114.91 3iad h THR 310 Ca 0.15 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 3iad h THR 310 Cb 0.54 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 3iad h THR 310 CO 0.03 0.11 0.11 0.22 0.37 0.00 0.00 175.52 176.36 3iad h TYR 311 N 0.58 0.51 -0.26 3.16 3.20 -1.21 0.15 116.97 123.11 3iad h TYR 311 Ca 0.16 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 3iad h TYR 311 Cb -0.06 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 3iad h TYR 311 CO -0.05 0.50 0.15 -0.07 -1.64 0.00 0.00 178.16 177.05 3iad h LEU 312 N 0.37 0.32 -1.04 2.82 3.38 -1.07 0.40 115.31 120.50 3iad h LEU 312 Ca 0.11 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.01 3iad h LEU 312 Cb 0.22 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3iad h LEU 312 CO -0.01 0.31 0.62 0.24 0.09 0.00 0.00 178.44 179.69 3iad h MET 313 N 0.31 1.27 -0.25 1.13 2.86 -0.70 0.26 114.93 119.80 3iad h MET 313 Ca 0.09 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3iad h MET 313 Cb 0.05 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 3iad h MET 313 CO -0.02 0.85 0.02 1.15 1.06 0.00 0.00 176.91 179.98 3iad h THR 314 N 1.30 1.24 -0.70 2.22 2.02 -0.17 -2.10 112.91 116.72 3iad h THR 314 Ca 0.35 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 3iad h THR 314 Cb -0.13 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 3iad h THR 314 CO -0.07 0.26 0.33 0.25 0.37 0.00 0.00 175.52 176.66 3iad h LEU 315 N 0.22 0.93 -0.60 2.58 5.85 0.06 -3.00 115.31 121.34 3iad h LEU 315 Ca 0.07 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 3iad h LEU 315 Cb 0.37 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3iad h LEU 315 CO 0.01 0.81 0.22 -0.08 -0.34 0.00 0.00 178.44 179.06 3iad h GLU 316 N 0.98 0.92 0.00 1.25 4.81 -0.43 -2.75 114.58 119.35 3iad h GLU 316 Ca 0.24 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3iad h GLU 316 Cb 0.14 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3iad h GLU 316 CO -0.03 0.80 0.00 -0.44 -0.73 0.00 0.00 179.01 178.61 3iad h ASP 317 N 0.84 0.00 -0.41 1.04 3.45 -1.24 -1.86 116.42 118.24 3iad h ASP 317 Ca 0.20 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.66 3iad h ASP 317 Cb 0.24 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.01 3iad h ASP 317 CO -0.01 0.00 0.00 1.41 -1.57 0.00 0.00 179.24 179.07 3iad n HIS 318 N -2.92 0.55 -3.46 4.55 8.25 -1.04 -4.76 115.22 116.38 3iad n HIS 318 Ca -0.01 -0.27 -0.36 0.00 -0.26 0.00 0.00 57.72 56.82 3iad n HIS 318 Cb 0.16 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 3iad n HIS 318 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3iad s TYR 319 N -1.45 3.64 0.00 4.41 1.51 -0.70 -1.14 117.35 123.62 3iad s TYR 319 Ca 0.32 0.96 -0.27 0.00 -1.01 0.00 0.00 57.07 57.07 3iad s TYR 319 Cb 0.17 -2.28 -0.04 0.00 -0.11 0.00 0.00 41.96 39.69 3iad s TYR 319 CO 0.22 0.53 0.84 -1.01 -1.11 0.00 0.00 175.55 175.02 3iad s HIS 320 N -1.32 3.67 -0.30 2.71 3.76 -1.26 -4.80 115.29 117.75 3iad s HIS 320 Ca 0.32 1.51 0.19 0.00 -0.15 0.00 0.00 55.06 56.93 3iad s HIS 320 Cb -0.15 -2.94 0.19 0.00 1.11 0.00 0.00 32.58 30.79 3iad s HIS 320 CO 0.17 0.11 1.48 0.00 -0.85 0.00 0.00 174.74 175.66 3iad h ALA 321 N 6.38 0.82 0.00 -1.40 0.00 -1.94 -3.25 119.26 119.87 3iad h ALA 321 Ca -0.42 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3iad h ALA 321 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3iad h ALA 321 CO 0.74 0.30 -0.13 -0.40 0.00 0.00 0.00 179.25 179.76 3iad n ASP 322 N -3.12 0.76 -4.69 0.00 5.75 -1.26 -4.77 116.55 109.22 3iad n ASP 322 Ca 0.02 0.48 -0.41 0.00 -0.01 0.00 0.00 54.79 54.87 3iad n ASP 322 Cb 0.63 -0.59 -0.04 0.00 -1.03 0.00 0.00 41.12 40.09 3iad n ASP 322 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3iad s VAL 323 N -3.11 4.93 0.09 2.12 1.01 -1.23 -4.98 120.40 119.23 3iad s VAL 323 Ca 0.10 1.64 -0.18 0.00 0.00 0.00 0.00 61.98 63.54 3iad s VAL 323 Cb 0.13 -4.14 -0.08 0.00 0.00 0.00 0.00 36.38 32.30 3iad s VAL 323 CO 0.62 0.12 1.50 0.00 0.00 0.00 0.00 175.10 177.35 3iad h ALA 324 N 7.06 0.37 0.00 5.51 0.00 -1.86 -3.41 119.26 126.93 3iad h ALA 324 Ca -0.35 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3iad h ALA 324 Cb 1.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3iad h ALA 324 CO 0.80 0.14 -0.69 0.98 0.00 0.00 0.00 179.25 180.48 3iad n TYR 325 N -4.56 0.00 -1.51 0.00 9.36 -1.26 -4.73 117.16 114.46 3iad n TYR 325 Ca -0.03 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.76 3iad n TYR 325 Cb 0.28 -0.35 -0.02 0.00 -0.63 0.00 0.00 39.34 38.62 3iad n TYR 325 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3iad n HIS 326 N -3.93 2.91 -4.07 2.98 8.25 -1.26 -4.28 115.22 115.82 3iad n HIS 326 Ca -0.10 -2.54 -0.03 0.00 -0.26 0.00 0.00 57.72 54.80 3iad n HIS 326 Cb 0.36 -2.24 -0.01 0.00 1.12 0.00 0.00 29.99 29.23 3iad n HIS 326 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3iad n ASN 327 N 6.62 1.65 0.27 0.41 0.23 -1.26 -4.46 115.26 118.71 3iad n ASN 327 Ca 0.51 -1.24 0.13 0.00 -0.53 0.00 0.00 54.58 53.45 3iad n ASN 327 Cb 0.40 0.07 0.75 0.00 -2.08 0.00 0.00 39.78 38.92 3iad n ASN 327 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3iad h ASN 328 N 0.15 0.00 -0.05 0.53 -1.07 -1.86 -2.44 115.58 110.83 3iad h ASN 328 Ca -0.04 0.00 -0.16 0.00 0.07 0.00 0.00 56.30 56.17 3iad h ASN 328 Cb 0.14 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.38 3iad h ASN 328 CO 0.07 0.10 -0.53 0.40 0.07 0.00 0.00 177.43 177.54 3iad h ILE 329 N 0.00 1.31 -0.27 6.14 2.04 -1.96 -1.10 117.51 123.67 3iad h ILE 329 Ca -0.00 -1.76 -0.08 0.00 1.00 0.00 0.00 64.86 64.03 3iad h ILE 329 Cb 0.29 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3iad h ILE 329 CO 0.01 0.55 -0.13 -0.74 0.00 0.00 0.00 178.15 177.85 3iad h HIS 330 N 0.49 0.64 -0.61 1.37 2.76 -1.66 -1.43 115.15 116.71 3iad h HIS 330 Ca 0.01 -0.16 0.05 0.00 -2.20 0.00 0.00 60.37 58.08 3iad h HIS 330 Cb 1.09 -0.15 -0.05 0.00 1.55 0.00 0.00 27.41 29.85 3iad h HIS 330 CO 0.05 0.81 0.33 0.00 -1.30 0.00 0.00 177.93 177.82 3iad h ALA 331 N 0.74 0.80 -0.76 5.26 0.00 -1.39 -0.83 119.26 123.08 3iad h ALA 331 Ca 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3iad h ALA 331 Cb 0.63 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3iad h ALA 331 CO 0.04 0.01 0.39 0.00 0.00 0.00 0.00 179.25 179.69 3iad h ALA 332 N 1.31 0.98 -0.22 0.00 0.00 -1.15 -1.31 119.26 118.87 3iad h ALA 332 Ca 0.27 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3iad h ALA 332 Cb 0.15 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3iad h ALA 332 CO -0.16 0.52 0.12 0.22 0.00 0.00 0.00 179.25 179.95 3iad h ASP 333 N 1.06 0.19 -0.14 0.00 3.58 -0.50 0.38 116.42 121.00 3iad h ASP 333 Ca 0.26 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.59 3iad h ASP 333 Cb 0.08 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 3iad h ASP 333 CO -0.04 0.14 -0.36 0.58 -2.88 0.00 0.00 179.24 176.69 3iad h VAL 334 N 0.25 1.29 0.38 2.25 2.07 -1.02 0.11 116.25 121.58 3iad h VAL 334 Ca 0.09 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.09 3iad h VAL 334 Cb 0.01 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3iad h VAL 334 CO -0.05 0.48 -0.18 0.58 0.02 0.00 0.00 177.57 178.42 3iad h VAL 335 N 0.55 0.63 -0.71 2.57 2.07 -1.01 -0.52 116.25 119.83 3iad h VAL 335 Ca 0.06 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3iad h VAL 335 Cb 0.87 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3iad h VAL 335 CO 0.07 0.02 0.38 -0.61 0.02 0.00 0.00 177.57 177.45 3iad h GLN 336 N -0.56 1.00 -0.50 1.57 -0.00 -0.84 -1.48 115.11 114.29 3iad h GLN 336 Ca -0.05 -0.13 -0.05 0.00 -0.00 0.00 0.00 58.65 58.42 3iad h GLN 336 Cb 0.42 -0.19 -0.02 0.00 0.00 0.00 0.00 27.48 27.69 3iad h GLN 336 CO 0.09 0.76 0.08 0.77 0.00 0.00 0.00 178.83 180.53 3iad h SER 337 N 0.98 0.73 -0.54 -0.69 0.02 -0.75 -2.20 113.55 111.10 3iad h SER 337 Ca 0.25 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 3iad h SER 337 Cb 0.06 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3iad h SER 337 CO -0.04 0.74 0.07 0.74 -1.14 0.00 0.00 176.83 177.20 3iad h THR 338 N 0.74 1.26 -0.50 -2.27 2.02 -0.69 -2.48 112.91 111.00 3iad h THR 338 Ca 0.16 -0.99 0.07 0.00 0.77 0.00 0.00 66.41 66.42 3iad h THR 338 Cb 0.33 0.85 -0.06 0.00 -1.74 0.00 0.00 68.15 67.53 3iad h THR 338 CO 0.00 0.36 0.15 -0.74 0.37 0.00 0.00 175.52 175.66 3iad h HIS 339 N 0.79 0.25 -0.09 3.16 6.17 -0.95 0.17 115.15 124.64 3iad h HIS 339 Ca 0.16 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.27 3iad h HIS 339 Cb 0.44 -0.04 -0.00 0.00 2.52 0.00 0.00 27.41 30.33 3iad h HIS 339 CO 0.03 0.06 0.05 0.28 0.71 0.00 0.00 177.93 179.05 3iad h VAL 340 N 0.30 1.10 -0.15 5.26 2.07 -1.28 -2.71 116.25 120.85 3iad h VAL 340 Ca 0.24 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 3iad h VAL 340 Cb 0.29 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3iad h VAL 340 CO -0.28 0.09 -0.06 -0.07 0.02 0.00 0.00 177.57 177.27 3iad h LEU 341 N 0.04 0.20 -1.42 2.57 3.38 -1.19 -1.76 115.31 117.13 3iad h LEU 341 Ca 0.03 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3iad h LEU 341 Cb 0.10 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3iad h LEU 341 CO -0.00 0.29 0.03 -0.07 0.09 0.00 0.00 178.44 178.77 3iad h LEU 342 N 0.21 0.37 -0.53 1.67 3.38 -0.74 -3.00 115.31 116.68 3iad h LEU 342 Ca 0.05 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iad h LEU 342 Cb 0.24 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3iad h LEU 342 CO 0.01 0.41 0.00 -1.20 0.09 0.00 0.00 178.44 177.75 3iad n SER 343 N -4.34 0.81 -4.74 -0.43 7.64 -0.67 -4.76 113.62 107.14 3iad n SER 343 Ca 0.01 -1.32 -0.42 0.00 1.01 0.00 0.00 58.87 58.15 3iad n SER 343 Cb 0.20 -0.01 -0.02 0.00 -1.01 0.00 0.00 64.21 63.36 3iad n SER 343 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3iad s THR 344 N -1.98 2.22 0.40 0.44 -1.32 -1.13 -4.87 115.64 109.39 3iad s THR 344 Ca 0.41 0.17 0.21 0.00 -1.21 0.00 0.00 61.69 61.27 3iad s THR 344 Cb 0.20 -3.11 0.40 0.00 -1.51 0.00 0.00 72.50 68.49 3iad s THR 344 CO 0.33 0.02 1.70 -0.65 -2.21 0.00 0.00 174.62 173.82 3iad h PRO 345 N 5.63 0.28 0.00 7.08 0.11 -1.92 0.09 132.00 143.27 3iad h PRO 345 Ca -0.45 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 3iad h PRO 345 Cb 1.21 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3iad h PRO 345 CO 0.85 0.19 -0.01 0.00 -0.21 0.00 0.00 178.00 178.81 3iad h ALA 346 N 1.66 1.01 -0.44 -0.75 0.00 -1.90 -2.59 119.26 116.26 3iad h ALA 346 Ca 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.59 3iad h ALA 346 Cb 1.86 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.65 3iad h ALA 346 CO -0.40 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.14 3iad n LEU 347 N -3.12 3.59 -4.68 0.00 4.77 0.00 -3.11 117.00 114.46 3iad n LEU 347 Ca -0.00 -2.27 -0.43 0.00 -0.03 0.00 0.00 56.01 53.28 3iad n LEU 347 Cb 0.26 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 3iad n LEU 347 CO 0.26 0.77 1.54 1.21 -1.33 0.00 0.00 177.39 179.84 3iad n GLU 348 N 0.59 2.78 -1.23 3.23 2.13 -0.98 -1.86 120.64 125.31 3iad n GLU 348 Ca 0.18 1.02 -0.08 0.00 0.66 0.00 0.00 57.16 58.94 3iad n GLU 348 Cb 0.63 -2.94 -0.03 0.00 0.27 0.00 0.00 31.44 29.37 3iad n GLU 348 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3iad n ALA 349 N 6.58 -0.12 -0.05 4.31 0.00 -1.26 -4.86 120.51 125.11 3iad n ALA 349 Ca 0.19 0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.62 3iad n ALA 349 Cb 0.38 -1.41 -0.12 0.00 0.00 0.00 0.00 19.45 18.31 3iad n ALA 349 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3iad h VAL 350 N 0.00 1.64 -2.99 0.00 2.07 -1.71 -3.47 116.25 111.79 3iad h VAL 350 Ca -0.16 -1.90 -0.61 0.00 0.82 0.00 0.00 66.70 64.85 3iad h VAL 350 Cb 0.90 2.93 -0.04 0.00 -1.52 0.00 0.00 31.29 33.55 3iad h VAL 350 CO 0.23 0.50 -0.40 -0.36 0.02 0.00 0.00 177.57 177.56 3iad s PHE 351 N -2.99 3.52 0.72 1.57 0.08 -1.26 -5.03 117.98 114.59 3iad s PHE 351 Ca -0.18 0.45 -0.12 0.00 0.12 0.00 0.00 56.93 57.21 3iad s PHE 351 Cb -0.01 -1.91 0.02 0.00 -0.57 0.00 0.00 43.02 40.55 3iad s PHE 351 CO 0.69 0.54 1.10 0.95 -0.10 0.00 0.00 175.22 178.41 3iad s THR 352 N -1.50 3.32 0.40 0.64 -4.23 -1.26 -4.88 115.64 108.13 3iad s THR 352 Ca 0.35 0.43 0.08 0.00 -1.18 0.00 0.00 61.69 61.36 3iad s THR 352 Cb -0.13 -3.41 0.28 0.00 1.34 0.00 0.00 72.50 70.59 3iad s THR 352 CO 0.23 -0.56 2.02 0.44 -0.54 0.00 0.00 174.62 176.21 3iad h ASP 353 N -0.72 0.52 -0.04 3.99 3.32 -1.98 -1.28 116.42 120.22 3iad h ASP 353 Ca -0.45 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 3iad h ASP 353 Cb 1.26 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.69 3iad h ASP 353 CO 0.64 0.36 0.01 0.25 -1.72 0.00 0.00 179.24 178.77 3iad h LEU 354 N 0.61 0.07 -1.21 1.55 5.85 -1.98 0.87 115.31 121.06 3iad h LEU 354 Ca 0.22 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.68 3iad h LEU 354 Cb 0.12 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3iad h LEU 354 CO -0.06 0.32 0.54 -0.33 -0.34 0.00 0.00 178.44 178.57 3iad h GLU 355 N -0.19 1.04 -0.45 1.25 5.08 -1.86 0.25 114.58 119.71 3iad h GLU 355 Ca 0.01 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 3iad h GLU 355 Cb 0.29 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3iad h GLU 355 CO 0.00 0.69 0.02 0.82 -1.00 0.00 0.00 179.01 179.54 3iad h ILE 356 N 1.08 1.26 -0.87 3.13 2.04 -1.07 -0.88 117.51 122.19 3iad h ILE 356 Ca 0.31 -1.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 3iad h ILE 356 Cb -0.08 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 3iad h ILE 356 CO -0.07 0.35 0.47 0.25 0.00 0.00 0.00 178.15 179.15 3iad h LEU 357 N 0.63 1.09 0.12 1.44 5.85 0.15 -2.38 115.31 122.22 3iad h LEU 357 Ca 0.13 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3iad h LEU 357 Cb 0.47 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3iad h LEU 357 CO 0.02 0.88 -0.06 0.00 -0.34 0.00 0.00 178.44 178.94 3iad h ALA 358 N 1.29 -0.16 -0.60 1.25 0.00 -0.25 -1.93 119.26 118.87 3iad h ALA 358 Ca 0.31 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3iad h ALA 358 Cb 0.03 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3iad h ALA 358 CO -0.05 -0.54 0.29 0.00 0.00 0.00 0.00 179.25 178.95 3iad h ALA 359 N 0.61 1.38 -0.08 0.00 0.00 -1.03 0.24 119.26 120.39 3iad h ALA 359 Ca -0.02 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 3iad h ALA 359 Cb 0.21 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.76 3iad h ALA 359 CO 0.03 0.49 -0.45 0.82 0.00 0.00 0.00 179.25 180.14 3iad h ILE 360 N 0.84 1.40 -0.36 0.00 2.04 -1.42 -2.70 117.51 117.31 3iad h ILE 360 Ca 0.21 -1.83 -0.01 0.00 1.00 0.00 0.00 64.86 64.23 3iad h ILE 360 Cb 0.09 2.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 3iad h ILE 360 CO -0.03 0.54 0.19 0.15 0.00 0.00 0.00 178.15 179.00 3iad h PHE 361 N -0.02 0.51 -0.13 1.37 3.57 -1.14 -1.76 116.94 119.34 3iad h PHE 361 Ca -0.03 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.48 3iad h PHE 361 Cb 1.10 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.65 3iad h PHE 361 CO 0.12 0.41 -0.09 0.00 -2.23 0.00 0.00 178.31 176.53 3iad h ALA 362 N 1.05 0.02 -0.86 2.41 0.00 -1.00 -1.23 119.26 119.65 3iad h ALA 362 Ca 0.13 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.21 3iad h ALA 362 Cb 0.08 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 3iad h ALA 362 CO -0.02 -0.53 0.56 0.77 0.00 0.00 0.00 179.25 180.03 3iad h SER 363 N -0.09 0.69 -0.21 0.00 0.02 -1.33 -0.24 113.55 112.39 3iad h SER 363 Ca 0.08 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3iad h SER 363 Cb 0.20 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 3iad h SER 363 CO -0.19 0.38 0.03 0.00 -1.14 0.00 0.00 176.83 175.91 3iad h ALA 364 N 1.59 0.28 -0.01 3.77 0.00 -0.34 -3.25 119.26 121.30 3iad h ALA 364 Ca 0.42 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3iad h ALA 364 Cb 0.58 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3iad h ALA 364 CO -0.18 -0.03 -0.10 0.44 0.00 0.00 0.00 179.25 179.37 3iad n ILE 365 N -4.72 0.00 0.31 0.00 -5.35 -0.66 -4.62 119.36 104.33 3iad n ILE 365 Ca -0.04 -0.22 0.21 0.00 -0.27 0.00 0.00 62.75 62.42 3iad n ILE 365 Cb 0.20 0.55 1.03 0.00 -1.74 0.00 0.00 39.64 39.68 3iad n ILE 365 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 3iad h HIS 366 N 2.12 0.00 0.00 4.28 2.07 -1.09 -2.04 115.15 120.49 3iad h HIS 366 Ca 0.00 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.48 3iad h HIS 366 Cb 0.54 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 30.43 3iad h HIS 366 CO 0.00 0.00 -0.50 -0.25 -3.07 0.00 0.00 177.93 174.11 3iad n ASP 367 N -3.01 1.17 -4.77 3.10 8.00 -1.26 -4.88 116.55 114.90 3iad n ASP 367 Ca -0.02 -2.65 -0.39 0.00 0.71 0.00 0.00 54.79 52.44 3iad n ASP 367 Cb 0.13 -0.35 -0.00 0.00 -0.02 0.00 0.00 41.12 40.88 3iad n ASP 367 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3iad s VAL 368 N -1.36 2.66 -1.44 2.53 0.11 -0.77 -2.71 120.40 119.42 3iad s VAL 368 Ca 0.24 0.58 -0.09 0.00 -2.93 0.00 0.00 61.98 59.78 3iad s VAL 368 Cb 0.24 -3.34 0.03 0.00 -1.53 0.00 0.00 36.38 31.78 3iad s VAL 368 CO -0.05 0.08 0.99 -0.67 -3.33 0.00 0.00 175.10 172.12 3iad n ASP 369 N 0.07 -5.95 -4.71 3.54 2.03 -0.29 -4.39 116.55 106.84 3iad n ASP 369 Ca 0.04 -0.52 -0.42 0.00 0.52 0.00 0.00 54.79 54.41 3iad n ASP 369 Cb 0.44 -4.72 -0.03 0.00 -0.72 0.00 0.00 41.12 36.08 3iad n ASP 369 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3iad s HIS 370 N -3.27 3.47 -1.17 -0.67 2.46 -1.10 -4.94 115.29 110.07 3iad s HIS 370 Ca 0.53 1.36 0.26 0.00 0.47 0.00 0.00 55.06 57.68 3iad s HIS 370 Cb -0.24 -3.38 0.67 0.00 -0.13 0.00 0.00 32.58 29.49 3iad s HIS 370 CO 0.66 -1.10 1.52 -0.35 -2.47 0.00 0.00 174.74 173.00 3iad n PRO 371 N 3.92 0.19 -0.74 2.88 -0.04 -1.26 -4.51 135.00 135.43 3iad n PRO 371 Ca 0.08 -0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 3iad n PRO 371 Cb 0.47 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 3iad n PRO 371 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3iad n GLY 372 N 1.46 0.70 3.28 0.55 0.00 -1.26 -4.98 105.19 104.94 3iad n GLY 372 Ca 0.07 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.29 3iad n GLY 372 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iad s VAL 373 N -2.00 0.49 0.59 1.61 -7.23 -1.26 -4.68 120.40 107.91 3iad s VAL 373 Ca 0.00 -1.99 -0.03 0.00 -1.81 0.00 0.00 61.98 58.15 3iad s VAL 373 Cb 0.00 -2.50 0.03 0.00 0.56 0.00 0.00 36.38 34.47 3iad s VAL 373 CO 0.00 -0.11 0.86 -0.94 -0.31 0.00 0.00 175.10 174.60 3iad s SER 374 N -3.26 5.33 0.22 4.85 1.04 -1.26 -4.96 113.70 115.67 3iad s SER 374 Ca 0.35 0.36 -0.08 0.00 0.48 0.00 0.00 55.95 57.06 3iad s SER 374 Cb 0.07 -1.27 0.23 0.00 0.10 0.00 0.00 66.02 65.15 3iad s SER 374 CO 0.11 -1.17 1.88 0.78 0.98 0.00 0.00 173.24 175.82 3iad h ASN 375 N -0.12 0.89 -0.25 7.02 2.35 -2.00 -2.06 115.58 121.41 3iad h ASN 375 Ca -0.44 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.22 3iad h ASN 375 Cb 1.28 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.43 3iad h ASN 375 CO 0.58 0.62 -0.08 -0.61 -1.65 0.00 0.00 177.43 176.28 3iad h GLN 376 N 1.05 0.62 -0.27 0.81 5.75 -1.96 0.28 115.11 121.38 3iad h GLN 376 Ca 0.32 -0.18 -0.02 0.00 -0.15 0.00 0.00 58.65 58.62 3iad h GLN 376 Cb -0.03 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.44 3iad h GLN 376 CO -0.10 0.70 0.08 0.35 -2.65 0.00 0.00 178.83 177.21 3iad h PHE 377 N 0.58 0.44 -0.55 3.99 3.04 -1.87 0.13 116.94 122.70 3iad h PHE 377 Ca 0.11 -0.05 -0.05 0.00 3.98 0.00 0.00 57.97 61.96 3iad h PHE 377 Cb 0.49 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 38.85 3iad h PHE 377 CO 0.02 0.48 0.15 -0.07 -2.02 0.00 0.00 178.31 176.87 3iad h LEU 378 N 0.27 0.79 -0.04 0.59 3.38 -0.87 -2.05 115.31 117.38 3iad h LEU 378 Ca 0.09 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3iad h LEU 378 Cb 0.25 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3iad h LEU 378 CO -0.00 0.76 -0.00 0.40 0.09 0.00 0.00 178.44 179.69 3iad h ILE 379 N 0.82 1.27 0.00 1.22 2.04 -0.25 -2.04 117.51 120.58 3iad h ILE 379 Ca 0.18 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 3iad h ILE 379 Cb 0.28 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 38.10 3iad h ILE 379 CO -0.00 0.22 -0.08 0.78 0.00 0.00 0.00 178.15 179.07 3iad h ASN 380 N -0.25 0.00 -0.11 1.72 2.35 -0.62 -1.52 115.58 117.16 3iad h ASN 380 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3iad h ASN 380 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3iad h ASN 380 CO 0.00 0.08 0.00 0.35 -1.65 0.00 0.00 177.43 176.22 3iad n THR 381 N -3.36 0.12 -3.71 2.81 -2.24 -0.78 -4.96 114.28 102.16 3iad n THR 381 Ca -0.01 -0.39 -0.21 0.00 -2.27 0.00 0.00 64.05 61.16 3iad n THR 381 Cb 0.26 0.74 0.03 0.00 -2.10 0.00 0.00 70.33 69.26 3iad n THR 381 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3iad n ASN 382 N 0.63 -1.14 -4.80 3.42 3.02 -0.57 -4.96 115.26 110.86 3iad n ASN 382 Ca 0.17 -0.83 -0.33 0.00 -0.03 0.00 0.00 54.58 53.56 3iad n ASN 382 Cb 0.43 -4.01 0.00 0.00 -0.61 0.00 0.00 39.78 35.59 3iad n ASN 382 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3iad s SER 383 N -4.36 5.92 0.26 6.41 1.04 -0.77 -4.87 113.70 117.33 3iad s SER 383 Ca 0.00 1.84 -0.01 0.00 0.48 0.00 0.00 55.95 58.26 3iad s SER 383 Cb -0.00 -2.54 0.52 0.00 0.10 0.00 0.00 66.02 64.10 3iad s SER 383 CO 0.82 -1.07 1.77 -0.08 0.98 0.00 0.00 173.24 175.66 3iad h GLU 384 N 0.68 0.65 -0.82 4.02 4.81 -1.92 -0.88 114.58 121.13 3iad h GLU 384 Ca -0.47 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 58.73 3iad h GLU 384 Cb 1.22 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 3iad h GLU 384 CO 0.58 0.43 0.54 -0.07 -0.73 0.00 0.00 179.01 179.75 3iad h LEU 385 N 0.67 0.92 -0.62 1.64 3.38 -1.93 0.71 115.31 120.08 3iad h LEU 385 Ca 0.46 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.27 3iad h LEU 385 Cb 0.62 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3iad h LEU 385 CO -0.34 0.66 -0.42 0.00 0.09 0.00 0.00 178.44 178.42 3iad h ALA 386 N 1.31 0.79 -0.40 1.53 0.00 -1.45 -1.87 119.26 119.18 3iad h ALA 386 Ca 0.31 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3iad h ALA 386 Cb -0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3iad h ALA 386 CO -0.08 0.66 -0.19 -0.07 0.00 0.00 0.00 179.25 179.57 3iad h LEU 387 N 0.50 0.76 -0.06 0.00 3.38 -1.10 -0.80 115.31 117.98 3iad h LEU 387 Ca 0.04 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.77 3iad h LEU 387 Cb 0.94 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3iad h LEU 387 CO 0.08 0.94 -0.03 -0.03 0.09 0.00 0.00 178.44 179.49 3iad h MET 388 N 0.67 -0.03 -0.50 1.13 4.05 -0.52 -3.23 114.93 116.50 3iad h MET 388 Ca 0.10 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.34 3iad h MET 388 Cb 0.68 0.01 -0.11 0.00 -0.80 0.00 0.00 31.60 31.38 3iad h MET 388 CO 0.05 -0.02 0.12 0.66 0.23 0.00 0.00 176.91 177.95 3iad n TYR 389 N -5.15 1.63 -4.00 1.39 4.01 -0.73 -4.96 117.16 109.34 3iad n TYR 389 Ca -0.05 -1.33 -0.29 0.00 -0.16 0.00 0.00 57.90 56.07 3iad n TYR 389 Cb 0.08 -0.55 -0.01 0.00 -0.31 0.00 0.00 39.34 38.55 3iad n TYR 389 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3iad n ASN 390 N -0.72 -2.05 0.00 7.72 3.02 -0.82 -0.70 115.26 121.71 3iad n ASN 390 Ca 0.35 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 3iad n ASN 390 Cb 1.16 -3.20 0.00 0.00 -0.61 0.00 0.00 39.78 37.13 3iad n ASN 390 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3iad n ASP 391 N -2.87 -5.26 -4.29 6.41 8.00 -0.37 -4.94 116.55 113.24 3iad n ASP 391 Ca -0.14 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.00 3iad n ASP 391 Cb 0.60 -3.31 -0.13 0.00 -0.02 0.00 0.00 41.12 38.26 3iad n ASP 391 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3iad s SER 392 N -1.93 4.86 -1.34 -2.24 0.01 0.12 -4.55 113.70 108.62 3iad s SER 392 Ca 0.00 -0.80 -0.09 0.00 1.31 0.00 0.00 55.95 56.38 3iad s SER 392 Cb 0.00 -1.80 0.00 0.00 0.21 0.00 0.00 66.02 64.43 3iad s SER 392 CO 0.00 -0.18 0.47 -1.20 0.41 0.00 0.00 173.24 172.74 3iad n SER 393 N 4.79 -1.67 0.26 2.44 7.64 -1.26 -4.82 113.62 120.99 3iad n SER 393 Ca -0.15 -1.08 -0.12 0.00 1.01 0.00 0.00 58.87 58.53 3iad n SER 393 Cb 0.47 -2.75 -0.06 0.00 -1.01 0.00 0.00 64.21 60.86 3iad n SER 393 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3iad h VAL 394 N -1.94 0.00 -0.97 0.44 2.07 -1.87 0.04 116.25 114.02 3iad h VAL 394 Ca -0.65 0.00 0.03 0.00 0.82 0.00 0.00 66.70 66.90 3iad h VAL 394 Cb 1.38 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 3iad h VAL 394 CO 0.59 0.00 0.63 -0.07 0.02 0.00 0.00 177.57 178.74 3iad h LEU 395 N -0.73 1.07 -0.40 2.57 3.38 -1.94 -2.42 115.31 116.84 3iad h LEU 395 Ca -0.06 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 3iad h LEU 395 Cb 0.59 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3iad h LEU 395 CO 0.05 0.74 -0.17 -0.33 0.09 0.00 0.00 178.44 178.82 3iad h GLU 396 N 1.25 0.83 -0.97 1.13 3.07 -1.88 -0.59 114.58 117.41 3iad h GLU 396 Ca 0.38 -0.35 0.05 0.00 -0.50 0.00 0.00 59.36 58.93 3iad h GLU 396 Cb -0.04 -0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 27.78 3iad h GLU 396 CO -0.11 0.99 0.63 -0.91 -1.40 0.00 0.00 179.01 178.21 3iad h ASN 397 N 0.64 1.03 -0.05 1.42 2.35 -0.79 -2.69 115.58 117.49 3iad h ASN 397 Ca 0.09 -0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.73 3iad h ASN 397 Cb 0.73 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 3iad h ASN 397 CO 0.06 0.69 -0.30 -0.74 -1.65 0.00 0.00 177.43 175.48 3iad h HIS 398 N 1.18 0.58 -0.59 1.19 2.76 -0.87 -1.84 115.15 117.56 3iad h HIS 398 Ca 0.40 -0.14 -0.09 0.00 -2.20 0.00 0.00 60.37 58.35 3iad h HIS 398 Cb 0.08 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 3iad h HIS 398 CO -0.00 0.76 0.03 0.45 -1.30 0.00 0.00 177.93 177.87 3iad h HIS 399 N 0.44 1.10 -0.23 5.26 3.86 -0.90 -1.81 115.15 122.87 3iad h HIS 399 Ca 0.06 -0.18 -0.00 0.00 -1.16 0.00 0.00 60.37 59.08 3iad h HIS 399 Cb 0.75 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 3iad h HIS 399 CO 0.03 0.97 0.13 -0.07 0.86 0.00 0.00 177.93 179.85 3iad h LEU 400 N 0.91 0.29 0.39 2.43 3.38 -1.32 -2.04 115.31 119.35 3iad h LEU 400 Ca 0.17 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3iad h LEU 400 Cb 0.51 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3iad h LEU 400 CO 0.02 0.28 -0.50 0.00 0.09 0.00 0.00 178.44 178.33 3iad h ALA 401 N 1.02 -1.06 0.16 1.53 0.00 -1.15 -2.08 119.26 117.68 3iad h ALA 401 Ca 0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3iad h ALA 401 Cb 0.05 0.75 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3iad h ALA 401 CO -0.01 -1.15 -0.09 0.28 0.00 0.00 0.00 179.25 178.28 3iad h VAL 402 N -0.92 0.80 -0.93 0.00 2.07 -1.36 -0.03 116.25 115.89 3iad h VAL 402 Ca -0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.57 3iad h VAL 402 Cb 0.83 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 31.33 3iad h VAL 402 CO -0.12 0.00 0.57 1.23 0.02 0.00 0.00 177.57 179.27 3iad h GLY 403 N -0.24 1.46 0.55 2.17 0.00 -1.36 -0.16 103.07 105.49 3iad h GLY 403 Ca -0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 3iad h GLY 403 CO 0.02 0.20 -0.04 0.74 0.00 0.00 0.00 176.54 177.45 3iad h PHE 404 N 0.96 0.11 -0.39 5.60 0.04 -1.22 -3.32 116.94 118.72 3iad h PHE 404 Ca 0.44 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 61.15 3iad h PHE 404 Cb 0.34 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 3iad h PHE 404 CO -0.03 0.58 0.14 -0.22 -0.60 0.00 0.00 178.31 178.18 3iad h LYS 405 N -0.40 0.55 0.00 1.51 1.63 -0.38 -0.58 116.57 118.91 3iad h LYS 405 Ca 0.00 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 3iad h LYS 405 Cb 0.57 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 3iad h LYS 405 CO 0.01 0.47 0.00 -0.07 -3.45 0.00 0.00 179.45 176.41 3iad h LEU 406 N 0.55 0.00 -2.44 5.20 3.38 -1.15 -1.38 115.31 119.47 3iad h LEU 406 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3iad h LEU 406 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3iad h LEU 406 CO -0.01 0.00 -0.02 -0.07 0.09 0.00 0.00 178.44 178.42 3iad h LEU 407 N 0.00 0.00 -1.56 1.67 3.38 -1.20 -2.92 115.31 114.68 3iad h LEU 407 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iad h LEU 407 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3iad h LEU 407 CO 0.00 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.55 3iad n GLN 408 N -3.63 2.01 -1.88 1.13 6.02 -0.52 -1.97 117.38 118.55 3iad n GLN 408 Ca -0.03 -1.54 -0.29 0.00 -0.01 0.00 0.00 57.00 55.13 3iad n GLN 408 Cb 0.12 -1.41 0.10 0.00 1.02 0.00 0.00 30.24 30.07 3iad n GLN 408 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3iad s GLU 409 N -1.60 1.74 -0.09 -1.09 2.02 -1.10 -4.94 118.70 113.64 3iad s GLU 409 Ca 0.33 0.06 -0.33 0.00 0.02 0.00 0.00 54.97 55.05 3iad s GLU 409 Cb 0.18 -1.93 -0.11 0.00 0.10 0.00 0.00 34.13 32.38 3iad s GLU 409 CO 0.26 -1.74 1.96 -1.91 0.02 0.00 0.00 175.26 173.84 3iad n GLU 410 N -3.41 2.23 -3.72 1.61 4.07 -1.26 -2.28 120.64 117.89 3iad n GLU 410 Ca 0.09 0.80 -0.25 0.00 -0.06 0.00 0.00 57.16 57.73 3iad n GLU 410 Cb 0.61 -2.76 0.05 0.00 -0.06 0.00 0.00 31.44 29.28 3iad n GLU 410 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 3iad n ASN 411 N 7.52 -4.60 -0.00 4.31 5.15 -1.26 -4.91 115.26 121.46 3iad n ASN 411 Ca 0.24 -0.68 0.01 0.00 -0.60 0.00 0.00 54.58 53.56 3iad n ASN 411 Cb 0.33 -4.47 -0.02 0.00 -0.53 0.00 0.00 39.78 35.09 3iad n ASN 411 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3iad s ASP 413 N -1.56 5.86 0.06 0.00 2.15 -0.83 -4.64 116.67 117.70 3iad s ASP 413 Ca 0.01 -1.24 0.18 0.00 0.43 0.00 0.00 52.55 51.93 3iad s ASP 413 Cb 0.02 -2.57 0.76 0.00 -0.30 0.00 0.00 42.92 40.84 3iad s ASP 413 CO 0.12 -2.11 1.57 2.30 -0.17 0.00 0.00 175.17 176.89 3iad n ILE 414 N 7.32 0.84 -1.20 4.11 -5.35 -1.26 -2.57 119.36 121.25 3iad n ILE 414 Ca 0.38 0.20 -0.06 0.00 -0.27 0.00 0.00 62.75 63.00 3iad n ILE 414 Cb 0.49 -0.96 0.24 0.00 -1.74 0.00 0.00 39.64 37.66 3iad n ILE 414 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3iad n PHE 415 N -1.67 1.86 0.09 4.28 3.72 -1.26 -4.69 117.46 119.79 3iad n PHE 415 Ca 0.04 -1.39 -0.01 0.00 -0.05 0.00 0.00 57.45 56.03 3iad n PHE 415 Cb 0.21 -0.61 0.26 0.00 -0.94 0.00 0.00 39.48 38.40 3iad n PHE 415 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 3iad h GLN 416 N 1.66 0.28 -0.33 -1.08 3.07 -1.85 -2.91 115.11 113.95 3iad h GLN 416 Ca 0.27 -0.11 0.00 0.00 0.09 0.00 0.00 58.65 58.91 3iad h GLN 416 Cb 2.06 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 29.61 3iad h GLN 416 CO 0.60 0.57 0.00 0.09 0.09 0.00 0.00 178.83 180.18 3iad n ASN 417 N -4.10 2.64 -4.81 0.06 3.02 -1.26 -4.92 115.26 105.88 3iad n ASN 417 Ca -0.01 -1.89 -0.33 0.00 -0.03 0.00 0.00 54.58 52.32 3iad n ASN 417 Cb 0.42 -0.21 -0.00 0.00 -0.61 0.00 0.00 39.78 39.37 3iad n ASN 417 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3iad s LEU 418 N -1.43 3.56 0.75 3.41 1.02 -1.10 -4.91 118.68 119.97 3iad s LEU 418 Ca 0.35 1.78 -0.11 0.00 0.02 0.00 0.00 54.13 56.17 3iad s LEU 418 Cb 0.20 -4.53 0.04 0.00 0.02 0.00 0.00 46.19 41.91 3iad s LEU 418 CO 0.28 -1.01 1.08 0.42 0.02 0.00 0.00 176.35 177.14 3iad s THR 419 N -2.43 3.50 0.18 5.49 -4.23 -1.26 -4.87 115.64 112.01 3iad s THR 419 Ca 0.63 0.49 -0.18 0.00 -1.18 0.00 0.00 61.69 61.45 3iad s THR 419 Cb -0.15 -3.27 0.13 0.00 1.34 0.00 0.00 72.50 70.55 3iad s THR 419 CO 0.34 -0.64 1.63 0.50 -0.54 0.00 0.00 174.62 175.91 3iad h LYS 420 N -0.88 -0.10 -0.29 3.99 3.64 -1.99 -1.97 116.57 118.97 3iad h LYS 420 Ca -0.46 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 58.85 3iad h LYS 420 Cb 1.24 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 3iad h LYS 420 CO 0.59 -0.07 -0.15 0.87 -2.27 0.00 0.00 179.45 178.42 3iad h LYS 421 N -0.11 0.50 -0.50 1.90 1.57 -2.00 -2.13 116.57 115.81 3iad h LYS 421 Ca 0.22 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3iad h LYS 421 Cb 0.45 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3iad h LYS 421 CO -0.54 0.64 0.16 1.96 -0.57 0.00 0.00 179.45 181.10 3iad h GLN 422 N 0.46 0.77 -0.22 3.15 4.20 -1.82 -1.88 115.11 119.76 3iad h GLN 422 Ca 0.08 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 3iad h GLN 422 Cb 0.54 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3iad h GLN 422 CO 0.03 0.71 0.10 0.00 -0.67 0.00 0.00 178.83 179.01 3iad h ARG 423 N 0.67 0.32 -0.30 1.46 3.08 -1.02 0.97 114.38 119.55 3iad h ARG 423 Ca 0.16 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.22 3iad h ARG 423 Cb 0.26 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 3iad h ARG 423 CO -0.01 0.36 -0.14 1.96 -1.07 0.00 0.00 179.97 181.07 3iad h GLN 424 N 0.21 -0.10 -0.02 0.04 4.20 -1.38 0.25 115.11 118.32 3iad h GLN 424 Ca 0.07 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 3iad h GLN 424 Cb 0.15 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 3iad h GLN 424 CO -0.01 -0.06 0.01 1.03 -0.67 0.00 0.00 178.83 179.13 3iad h SER 425 N -0.10 0.03 -0.83 1.46 0.87 -1.10 -2.30 113.55 111.58 3iad h SER 425 Ca 0.16 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 3iad h SER 425 Cb 0.34 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.25 3iad h SER 425 CO -0.37 0.08 0.46 0.25 -0.53 0.00 0.00 176.83 176.72 3iad h LEU 426 N -0.03 1.04 -0.23 2.23 5.85 -0.59 -1.92 115.31 121.66 3iad h LEU 426 Ca 0.01 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3iad h LEU 426 Cb 0.06 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 3iad h LEU 426 CO -0.00 0.84 0.13 -0.09 -0.34 0.00 0.00 178.44 178.98 3iad h ARG 427 N 1.16 0.32 -0.71 1.25 2.43 -0.80 -0.27 114.38 117.77 3iad h ARG 427 Ca 0.29 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.37 3iad h ARG 427 Cb 0.03 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 3iad h ARG 427 CO -0.05 0.29 0.22 -0.22 -1.51 0.00 0.00 179.97 178.71 3iad h LYS 428 N 0.27 1.10 -0.16 0.20 3.64 -1.28 -1.75 116.57 118.58 3iad h LYS 428 Ca 0.08 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 3iad h LYS 428 Cb 0.06 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3iad h LYS 428 CO -0.01 0.93 -0.01 0.52 -2.27 0.00 0.00 179.45 178.61 3iad h MET 429 N 1.06 0.30 -0.62 1.90 2.86 -1.10 -1.96 114.93 117.36 3iad h MET 429 Ca 0.23 -0.10 -0.07 0.00 -2.06 0.00 0.00 59.70 57.71 3iad h MET 429 Cb 0.29 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 3iad h MET 429 CO -0.01 0.53 0.12 0.28 1.06 0.00 0.00 176.91 178.89 3iad h VAL 430 N 0.03 1.25 0.32 -2.22 2.07 -0.98 -1.41 116.25 115.32 3iad h VAL 430 Ca 0.05 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 3iad h VAL 430 Cb 0.40 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3iad h VAL 430 CO 0.01 0.36 -0.17 0.40 0.02 0.00 0.00 177.57 178.19 3iad h ILE 431 N 0.95 0.65 -0.99 4.57 2.04 -1.29 -1.37 117.51 122.07 3iad h ILE 431 Ca 0.20 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.15 3iad h ILE 431 Cb 0.38 0.65 -0.08 0.00 -0.74 0.00 0.00 36.82 37.04 3iad h ILE 431 CO 0.01 0.00 0.63 0.44 0.00 0.00 0.00 178.15 179.23 3iad h ASP 432 N -0.45 0.95 0.07 1.72 3.45 -1.11 -1.62 116.42 119.42 3iad h ASP 432 Ca -0.04 0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.45 3iad h ASP 432 Cb 0.36 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 38.96 3iad h ASP 432 CO 0.06 0.55 -0.03 0.40 -1.57 0.00 0.00 179.24 178.65 3iad h ILE 433 N 1.04 1.21 -0.55 0.35 2.04 -1.13 -2.97 117.51 117.50 3iad h ILE 433 Ca 0.46 -1.05 -0.08 0.00 1.00 0.00 0.00 64.86 65.19 3iad h ILE 433 Cb 0.36 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 3iad h ILE 433 CO -0.22 0.26 0.02 0.58 0.00 0.00 0.00 178.15 178.79 3iad h VAL 434 N -0.57 1.26 0.00 1.67 2.07 -1.02 -1.94 116.25 117.72 3iad h VAL 434 Ca -0.01 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 3iad h VAL 434 Cb 0.49 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3iad h VAL 434 CO 0.02 0.38 -0.08 -0.07 0.02 0.00 0.00 177.57 177.84 3iad h LEU 435 N 0.83 0.00 0.00 2.57 3.38 -1.41 -2.02 115.31 118.65 3iad h LEU 435 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3iad h LEU 435 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3iad h LEU 435 CO 0.02 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.63 3iad n ALA 436 N -2.50 2.01 1.52 1.53 0.00 -0.73 -2.13 120.51 120.21 3iad n ALA 436 Ca -0.03 -0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.47 3iad n ALA 436 Cb 0.16 -1.33 0.60 0.00 0.00 0.00 0.00 19.45 18.89 3iad n ALA 436 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3iad n THR 437 N -1.35 0.00 -1.59 0.00 -2.24 -0.76 -4.80 114.28 103.54 3iad n THR 437 Ca 0.08 -0.12 -0.44 0.00 -2.27 0.00 0.00 64.05 61.29 3iad n THR 437 Cb 0.18 0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.49 3iad n THR 437 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3iad n ASP 438 N -0.53 3.24 0.22 3.42 -0.08 -0.90 -4.84 116.55 117.08 3iad n ASP 438 Ca 0.17 0.37 0.16 0.00 -1.51 0.00 0.00 54.79 53.99 3iad n ASP 438 Cb 0.29 -1.50 0.84 0.00 2.34 0.00 0.00 41.12 43.08 3iad n ASP 438 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 3iad h MET 439 N 13.73 0.00 0.00 -0.67 2.86 -1.87 0.68 114.93 129.66 3iad h MET 439 Ca -0.41 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 3iad h MET 439 Cb 1.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.91 3iad h MET 439 CO 0.96 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 177.80 3iad n SER 440 N -3.86 0.18 -0.69 1.22 3.41 -0.88 -2.54 113.62 110.46 3iad n SER 440 Ca 0.01 0.53 0.09 0.00 -0.26 0.00 0.00 58.87 59.23 3iad n SER 440 Cb 0.27 -0.57 0.27 0.00 -0.26 0.00 0.00 64.21 63.92 3iad n SER 440 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3iad n LYS 441 N -1.68 1.89 -0.16 4.33 5.02 0.23 -2.28 118.16 125.51 3iad n LYS 441 Ca 0.05 -1.36 -0.04 0.00 -2.02 0.00 0.00 58.31 54.94 3iad n LYS 441 Cb 0.30 -1.37 0.06 0.00 -0.02 0.00 0.00 35.03 33.99 3iad n LYS 441 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3iad h HIS 442 N 2.48 0.35 -0.52 2.13 2.76 -1.62 -2.23 115.15 118.50 3iad h HIS 442 Ca 0.00 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.10 3iad h HIS 442 Cb 0.55 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.41 3iad h HIS 442 CO 0.19 0.14 -0.02 0.52 -1.30 0.00 0.00 177.93 177.46 3iad h MET 443 N 0.39 0.94 -0.54 5.26 2.86 -1.81 -1.12 114.93 120.91 3iad h MET 443 Ca 0.23 -0.31 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3iad h MET 443 Cb 0.21 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 3iad h MET 443 CO -0.21 0.97 0.35 -0.91 1.06 0.00 0.00 176.91 178.17 3iad h ASN 444 N 0.81 0.60 -0.77 1.22 2.35 -1.85 0.12 115.58 118.06 3iad h ASN 444 Ca 0.14 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3iad h ASN 444 Cb 0.56 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.75 3iad h ASN 444 CO 0.03 0.43 0.48 0.25 -1.65 0.00 0.00 177.43 176.97 3iad h LEU 445 N 0.71 0.91 -0.22 1.61 5.85 -1.13 -1.51 115.31 121.54 3iad h LEU 445 Ca 0.20 -0.05 -0.18 0.00 0.84 0.00 0.00 57.88 58.69 3iad h LEU 445 Cb -0.06 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.74 3iad h LEU 445 CO -0.05 0.69 -0.56 0.25 -0.34 0.00 0.00 178.44 178.43 3iad h LEU 446 N 1.05 0.87 -0.88 2.25 5.85 -0.92 -2.27 115.31 121.26 3iad h LEU 446 Ca 0.28 -0.57 0.05 0.00 0.84 0.00 0.00 57.88 58.48 3iad h LEU 446 Cb -0.07 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.65 3iad h LEU 446 CO -0.06 1.28 0.55 0.00 -0.34 0.00 0.00 178.44 179.88 3iad h ALA 447 N 0.61 1.20 -0.34 1.25 0.00 -0.57 -0.45 119.26 120.95 3iad h ALA 447 Ca -0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3iad h ALA 447 Cb 1.17 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3iad h ALA 447 CO 0.12 0.33 -0.34 -0.44 0.00 0.00 0.00 179.25 178.93 3iad h ASP 448 N 1.03 0.80 -0.56 0.00 3.32 -1.22 -2.33 116.42 117.46 3iad h ASP 448 Ca 0.37 -0.33 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 3iad h ASP 448 Cb 0.13 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3iad h ASP 448 CO -0.16 1.06 -0.09 0.25 -1.72 0.00 0.00 179.24 178.58 3iad h LEU 449 N 0.64 1.04 -0.66 1.55 5.85 -1.03 -1.06 115.31 121.65 3iad h LEU 449 Ca 0.07 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 3iad h LEU 449 Cb 0.87 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 3iad h LEU 449 CO 0.08 1.14 0.24 0.11 -0.34 0.00 0.00 178.44 179.67 3iad h LYS 450 N 0.93 0.99 -0.46 1.25 1.57 -1.02 -0.85 116.57 119.00 3iad h LYS 450 Ca 0.15 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 3iad h LYS 450 Cb 0.66 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 3iad h LYS 450 CO 0.05 0.85 -0.02 1.15 -0.57 0.00 0.00 179.45 180.90 3iad h THR 451 N 0.93 1.24 -0.65 -0.16 2.02 -1.31 -0.17 112.91 114.81 3iad h THR 451 Ca 0.22 -1.01 -0.07 0.00 0.77 0.00 0.00 66.41 66.31 3iad h THR 451 Cb 0.24 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 3iad h THR 451 CO -0.01 0.35 0.12 -0.03 0.37 0.00 0.00 175.52 176.32 3iad h MET 452 N 0.71 1.06 -0.24 6.66 -1.53 -0.80 -2.00 114.93 118.79 3iad h MET 452 Ca 0.14 -0.27 -0.12 0.00 -3.44 0.00 0.00 59.70 56.01 3iad h MET 452 Cb 0.46 -0.13 -0.00 0.00 -0.55 0.00 0.00 31.60 31.38 3iad h MET 452 CO 0.02 0.97 -0.31 0.28 0.14 0.00 0.00 176.91 178.01 3iad h VAL 453 N 1.00 1.31 -0.07 -5.77 2.07 -0.92 -1.34 116.25 112.54 3iad h VAL 453 Ca 0.20 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 3iad h VAL 453 Cb 0.41 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3iad h VAL 453 CO 0.01 0.47 0.01 -0.33 0.02 0.00 0.00 177.57 177.75 3iad h GLU 454 N 0.35 0.10 -0.20 1.57 5.08 -0.89 -2.72 114.58 117.87 3iad h GLU 454 Ca 0.03 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3iad h GLU 454 Cb 0.89 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 3iad h GLU 454 CO 0.07 0.10 -0.10 0.25 -1.00 0.00 0.00 179.01 178.34 3iad n THR 455 N -4.49 2.28 -1.63 1.13 -2.24 -0.76 -5.06 114.28 103.50 3iad n THR 455 Ca -0.02 -2.45 -0.46 0.00 -2.27 0.00 0.00 64.05 58.85 3iad n THR 455 Cb 0.11 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.04 3iad n THR 455 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3iad n LYS 456 N -1.01 1.69 -4.10 -0.78 4.81 -0.51 -4.99 118.16 113.27 3iad n LYS 456 Ca 0.24 0.60 -0.14 0.00 -0.87 0.00 0.00 58.31 58.14 3iad n LYS 456 Cb 0.86 -2.17 -0.13 0.00 0.02 0.00 0.00 35.03 33.61 3iad n LYS 456 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3iad s LYS 457 N -0.63 0.43 0.19 1.64 1.02 -1.26 -5.08 119.74 116.05 3iad s LYS 457 Ca 0.68 -0.41 0.07 0.00 0.02 0.00 0.00 55.97 56.33 3iad s LYS 457 Cb -0.71 -0.32 -0.05 0.00 -0.52 0.00 0.00 37.83 36.23 3iad s LYS 457 CO 0.52 0.08 -0.13 0.14 -0.92 0.00 0.00 175.35 175.04 3iad s VAL 458 N -0.64 1.55 0.71 3.17 -7.23 -1.26 -1.09 120.40 115.61 3iad s VAL 458 Ca -0.03 -2.16 -0.10 0.00 -1.81 0.00 0.00 61.98 57.88 3iad s VAL 458 Cb -0.05 -1.98 0.16 0.00 0.56 0.00 0.00 36.38 35.07 3iad s VAL 458 CO 0.00 -0.65 0.96 0.35 -0.31 0.00 0.00 175.10 175.46 3iad n THR 459 N -0.32 0.00 -0.26 5.32 -2.24 0.00 -4.82 114.28 111.96 3iad n THR 459 Ca -0.09 -0.88 -0.06 0.00 -2.27 0.00 0.00 64.05 60.75 3iad n THR 459 Cb 0.60 -1.46 0.07 0.00 -2.10 0.00 0.00 70.33 67.44 3iad n THR 459 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 3iad h SER 460 N -1.12 1.07 0.72 3.42 0.87 -2.02 -2.73 113.55 113.76 3iad h SER 460 Ca -0.31 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 3iad h SER 460 Cb 0.92 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 3iad h SER 460 CO 0.25 1.00 0.00 0.77 -0.53 0.00 0.00 176.83 178.31 3iad h SER 461 N 1.10 0.00 0.00 6.23 4.64 -2.04 -3.45 113.55 120.02 3iad h SER 461 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3iad h SER 461 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3iad h SER 461 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 3iad n GLY 462 N -0.11 0.38 3.75 -0.77 0.00 -1.03 -5.08 105.19 102.33 3iad n GLY 462 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 3iad n GLY 462 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iad s VAL 463 N -2.00 2.41 0.18 1.61 1.01 -1.26 -4.66 120.40 117.69 3iad s VAL 463 Ca 0.00 0.27 -0.31 0.00 0.00 0.00 0.00 61.98 61.95 3iad s VAL 463 Cb 0.00 -3.12 -0.09 0.00 0.00 0.00 0.00 36.38 33.17 3iad s VAL 463 CO 0.00 -0.04 1.40 -0.22 0.00 0.00 0.00 175.10 176.24 3iad s LEU 464 N -3.91 4.39 -0.25 3.92 2.96 -1.18 -0.82 118.68 123.79 3iad s LEU 464 Ca 0.76 2.48 -0.11 0.00 -0.22 0.00 0.00 54.13 57.04 3iad s LEU 464 Cb -0.34 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.69 3iad s LEU 464 CO 0.38 -0.64 0.19 -0.22 -1.32 0.00 0.00 176.35 174.73 3iad s LEU 465 N 0.31 4.09 -0.28 -0.68 2.96 -0.25 -4.80 118.68 120.03 3iad s LEU 465 Ca 0.61 0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 54.61 3iad s LEU 465 Cb -0.39 -2.14 0.09 0.00 0.50 0.00 0.00 46.19 44.25 3iad s LEU 465 CO 0.36 0.02 0.07 -0.76 -1.32 0.00 0.00 176.35 174.72 3iad s LEU 466 N 1.30 2.09 0.00 -0.68 1.43 -1.26 -4.68 118.68 116.88 3iad s LEU 466 Ca 0.08 -1.43 -0.21 0.00 -1.03 0.00 0.00 54.13 51.54 3iad s LEU 466 Cb -0.14 -0.85 -0.12 0.00 0.03 0.00 0.00 46.19 45.11 3iad s LEU 466 CO 0.07 -0.37 0.96 0.44 0.23 0.00 0.00 176.35 177.67 3iad h ASP 467 N 8.10 -0.64 -1.61 2.29 3.45 -1.97 -3.47 116.42 122.57 3iad h ASP 467 Ca -0.14 0.02 -0.57 0.00 0.43 0.00 0.00 57.03 56.76 3iad h ASP 467 Cb 1.04 0.17 -0.09 0.00 -0.56 0.00 0.00 39.33 39.89 3iad h ASP 467 CO 0.44 -0.31 -0.51 0.54 -1.57 0.00 0.00 179.24 177.83 3iad s ASN 468 N -4.23 4.35 0.16 6.45 4.22 -1.26 -5.05 114.94 119.58 3iad s ASN 468 Ca -0.11 -1.11 -0.22 0.00 -2.14 0.00 0.00 52.86 49.28 3iad s ASN 468 Cb 0.01 -0.47 0.05 0.00 1.28 0.00 0.00 41.25 42.12 3iad s ASN 468 CO 0.33 -0.52 1.62 0.22 -2.04 0.00 0.00 177.10 176.71 3iad h TYR 469 N 1.48 -0.66 -0.76 1.54 3.20 -2.00 -2.92 116.97 116.84 3iad h TYR 469 Ca -0.43 0.04 0.07 0.00 3.14 0.00 0.00 58.73 61.56 3iad h TYR 469 Cb 1.25 0.34 -0.10 0.00 1.54 0.00 0.00 36.73 39.75 3iad h TYR 469 CO 0.64 -0.32 -0.58 1.03 -1.64 0.00 0.00 178.16 177.29 3iad h SER 470 N -0.22 -2.05 -0.55 -2.11 0.87 -1.99 0.53 113.55 108.02 3iad h SER 470 Ca 0.16 0.30 -0.00 0.00 -1.23 0.00 0.00 61.79 61.01 3iad h SER 470 Cb 0.47 0.88 -0.03 0.00 -0.44 0.00 0.00 62.40 63.28 3iad h SER 470 CO -0.44 -0.30 0.35 0.44 -0.53 0.00 0.00 176.83 176.35 3iad h ASP 471 N -0.16 0.66 -0.09 6.23 3.32 -1.93 -1.39 116.42 123.06 3iad h ASP 471 Ca 0.12 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 3iad h ASP 471 Cb 0.48 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 3iad h ASP 471 CO -0.80 0.50 -0.08 0.03 -1.72 0.00 0.00 179.24 177.17 3iad h ARG 472 N 0.77 0.22 -0.17 3.56 3.08 -0.87 -2.76 114.38 118.21 3iad h ARG 472 Ca 0.20 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 60.02 3iad h ARG 472 Cb -0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3iad h ARG 472 CO -0.04 0.63 -0.43 0.97 -1.07 0.00 0.00 179.97 180.03 3iad h ILE 473 N -0.19 1.31 -0.57 2.04 6.09 -0.81 -2.40 117.51 122.98 3iad h ILE 473 Ca 0.02 -1.59 0.02 0.00 -1.37 0.00 0.00 64.86 61.93 3iad h ILE 473 Cb 0.59 1.65 -0.03 0.00 0.47 0.00 0.00 36.82 39.49 3iad h ILE 473 CO 0.02 0.49 0.36 -0.61 -3.07 0.00 0.00 178.15 175.34 3iad h GLN 474 N 0.33 0.69 -0.52 2.19 4.15 -1.29 0.48 115.11 121.15 3iad h GLN 474 Ca 0.03 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.30 3iad h GLN 474 Cb 0.89 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.41 3iad h GLN 474 CO 0.07 0.46 -0.11 0.28 -1.93 0.00 0.00 178.83 177.60 3iad h VAL 475 N 0.71 1.27 -0.34 2.39 2.07 -1.34 -1.30 116.25 119.71 3iad h VAL 475 Ca 0.22 -1.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.45 3iad h VAL 475 Cb -0.01 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3iad h VAL 475 CO -0.08 0.44 0.04 -0.07 0.02 0.00 0.00 177.57 177.91 3iad h LEU 476 N 0.86 0.55 -0.19 2.57 3.38 -1.07 -1.13 115.31 120.28 3iad h LEU 476 Ca 0.14 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.88 3iad h LEU 476 Cb 0.66 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 3iad h LEU 476 CO 0.05 0.69 -0.13 1.56 0.09 0.00 0.00 178.44 180.70 3iad h GLN 477 N 0.40 -0.12 -0.11 1.13 4.20 0.11 -1.55 115.11 119.17 3iad h GLN 477 Ca 0.10 0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.74 3iad h GLN 477 Cb 0.38 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 3iad h GLN 477 CO 0.01 -0.08 -0.28 -0.91 -0.67 0.00 0.00 178.83 176.90 3iad h ASN 478 N -0.13 0.20 0.26 1.46 2.35 -1.23 -1.43 115.58 117.07 3iad h ASN 478 Ca 0.11 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 3iad h ASN 478 Cb 0.30 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3iad h ASN 478 CO -0.27 0.48 -0.13 -0.03 -1.65 0.00 0.00 177.43 175.83 3iad h MET 479 N 0.18 -0.34 -0.53 0.81 4.05 -0.61 0.71 114.93 119.20 3iad h MET 479 Ca 0.03 0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 59.37 3iad h MET 479 Cb 0.59 0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.45 3iad h MET 479 CO 0.04 -0.14 -0.09 0.28 0.23 0.00 0.00 176.91 177.24 3iad h VAL 480 N -0.48 1.26 -0.25 -5.77 2.07 -1.20 -0.87 116.25 111.01 3iad h VAL 480 Ca -0.04 -1.22 0.03 0.00 0.82 0.00 0.00 66.70 66.29 3iad h VAL 480 Cb 0.36 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3iad h VAL 480 CO 0.06 0.43 0.08 -0.74 0.02 0.00 0.00 177.57 177.42 3iad h HIS 481 N 0.87 0.14 -0.90 1.57 6.17 -1.25 0.73 115.15 122.48 3iad h HIS 481 Ca 0.14 0.01 0.08 0.00 0.71 0.00 0.00 60.37 61.31 3iad h HIS 481 Cb 0.63 -0.02 -0.06 0.00 2.52 0.00 0.00 27.41 30.47 3iad h HIS 481 CO 0.04 0.06 0.58 0.00 0.71 0.00 0.00 177.93 179.32 3iad h ALA 483 N 1.53 0.91 -0.12 0.00 0.00 -0.57 -2.49 119.26 118.52 3iad h ALA 483 Ca 0.40 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3iad h ALA 483 Cb 0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3iad h ALA 483 CO -0.16 0.62 -0.38 0.22 0.00 0.00 0.00 179.25 179.55 3iad h ASP 484 N 0.64 0.27 -1.66 0.00 3.58 0.32 -2.92 116.42 116.65 3iad h ASP 484 Ca 0.09 -0.11 -0.69 0.00 0.42 0.00 0.00 57.03 56.74 3iad h ASP 484 Cb 0.72 -0.07 -0.32 0.00 1.72 0.00 0.00 39.33 41.37 3iad h ASP 484 CO 0.06 0.63 0.42 0.18 -2.88 0.00 0.00 179.24 177.65 3iad n LEU 485 N -4.05 6.60 -0.08 2.28 4.77 0.20 -4.68 117.00 122.04 3iad n LEU 485 Ca -0.01 -4.87 0.07 0.00 -0.03 0.00 0.00 56.01 51.17 3iad n LEU 485 Cb 0.46 -0.84 -0.06 0.00 -2.33 0.00 0.00 43.42 40.64 3iad n LEU 485 CO 0.42 1.88 0.03 -1.54 -1.33 0.00 0.00 177.39 176.85 3iad n SER 486 N -0.58 0.90 -0.06 -1.43 3.41 -0.96 -4.69 113.62 110.21 3iad n SER 486 Ca 0.50 -0.95 -0.07 0.00 -0.26 0.00 0.00 58.87 58.09 3iad n SER 486 Cb 0.45 0.88 -0.01 0.00 -0.26 0.00 0.00 64.21 65.27 3iad n SER 486 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3iad h ASN 487 N 0.40 -0.42 0.23 4.04 -0.26 -1.83 -0.43 115.58 117.31 3iad h ASN 487 Ca 0.00 0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 3iad h ASN 487 Cb 0.39 0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.88 3iad h ASN 487 CO 0.00 -0.16 0.00 -2.65 -1.06 0.00 0.00 177.43 173.56 3iad n PRO 488 N -5.29 0.01 -0.34 0.81 -0.02 -1.26 -2.11 135.00 126.79 3iad n PRO 488 Ca -0.01 0.37 0.12 0.00 -2.02 0.00 0.00 63.50 61.96 3iad n PRO 488 Cb 0.21 -1.50 0.30 0.00 -0.02 0.00 0.00 33.50 32.49 3iad n PRO 488 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3iad n THR 489 N -1.49 0.89 -4.07 3.45 -2.24 -0.17 -4.15 114.28 106.50 3iad n THR 489 Ca 0.02 -0.94 -0.24 0.00 -2.27 0.00 0.00 64.05 60.62 3iad n THR 489 Cb 0.08 0.58 -0.05 0.00 -2.10 0.00 0.00 70.33 68.84 3iad n THR 489 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3iad s LYS 490 N -1.11 3.01 -0.01 -0.78 -0.14 -0.90 -4.58 119.74 115.23 3iad s LYS 490 Ca 0.47 -0.89 -0.40 0.00 -1.36 0.00 0.00 55.97 53.79 3iad s LYS 490 Cb 0.25 -2.67 -0.19 0.00 -1.68 0.00 0.00 37.83 33.53 3iad s LYS 490 CO 0.33 0.46 1.17 -2.30 -0.76 0.00 0.00 175.35 174.25 3iad n PRO 491 N -0.72 0.27 -0.35 -1.68 -0.02 -1.26 -4.40 135.00 126.84 3iad n PRO 491 Ca -0.08 0.10 0.11 0.00 -2.02 0.00 0.00 63.50 61.61 3iad n PRO 491 Cb 0.56 -1.63 0.24 0.00 -0.02 0.00 0.00 33.50 32.64 3iad n PRO 491 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3iad h LEU 492 N 3.53 -0.64 -0.90 2.45 5.85 -1.95 0.63 115.31 124.27 3iad h LEU 492 Ca -0.50 0.29 0.17 0.00 0.84 0.00 0.00 57.88 58.68 3iad h LEU 492 Cb 1.40 0.54 -0.16 0.00 0.37 0.00 0.00 40.66 42.81 3iad h LEU 492 CO 0.70 -0.35 -0.26 1.67 -0.34 0.00 0.00 178.44 179.86 3iad n GLN 493 N -5.54 -0.12 -0.04 1.25 7.27 -1.26 -1.19 117.38 117.75 3iad n GLN 493 Ca 0.21 1.41 -0.15 0.00 0.07 0.00 0.00 57.00 58.53 3iad n GLN 493 Cb 0.67 -2.09 -0.08 0.00 2.41 0.00 0.00 30.24 31.14 3iad n GLN 493 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 3iad h LEU 494 N 0.00 0.52 -0.56 1.69 3.38 -0.04 -3.31 115.31 116.99 3iad h LEU 494 Ca 0.40 -0.60 0.04 0.00 0.09 0.00 0.00 57.88 57.81 3iad h LEU 494 Cb 0.63 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 3iad h LEU 494 CO -0.92 1.03 0.31 0.22 0.09 0.00 0.00 178.44 179.18 3iad h TYR 495 N 0.04 0.58 -0.56 1.13 3.20 -0.91 -2.53 116.97 117.93 3iad h TYR 495 Ca -0.01 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.89 3iad h TYR 495 Cb 0.98 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 3iad h TYR 495 CO 0.11 0.31 0.37 0.00 -1.64 0.00 0.00 178.16 177.31 3iad h ARG 496 N 0.61 0.73 -0.75 1.82 3.08 -1.26 0.04 114.38 118.65 3iad h ARG 496 Ca 0.24 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.26 3iad h ARG 496 Cb 0.08 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 3iad h ARG 496 CO -0.13 0.48 0.49 1.96 -1.07 0.00 0.00 179.97 181.70 3iad h GLN 497 N 0.75 0.94 -0.46 0.04 4.20 -1.60 -0.96 115.11 118.02 3iad h GLN 497 Ca 0.21 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.78 3iad h GLN 497 Cb -0.08 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.47 3iad h GLN 497 CO -0.05 0.62 -0.05 -1.49 -0.67 0.00 0.00 178.83 177.19 3iad h TRP 498 N 0.97 0.86 -0.32 2.96 -0.00 -0.98 -0.88 115.95 118.57 3iad h TRP 498 Ca 0.29 -0.14 -0.06 0.00 -0.00 0.00 0.00 58.89 58.98 3iad h TRP 498 Cb -0.04 -0.23 -0.01 0.00 -0.00 0.00 0.00 29.16 28.88 3iad h TRP 498 CO -0.03 0.82 -0.04 1.15 -0.00 0.00 0.00 178.44 180.34 3iad h THR 499 N 0.74 1.27 -0.51 1.49 2.02 -0.72 -1.24 112.91 115.96 3iad h THR 499 Ca 0.13 -1.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.22 3iad h THR 499 Cb 0.52 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 3iad h THR 499 CO 0.03 0.34 0.17 0.44 0.37 0.00 0.00 175.52 176.87 3iad h ASP 500 N 0.38 0.68 -0.10 4.18 5.19 -1.07 -1.49 116.42 124.20 3iad h ASP 500 Ca 0.08 -0.10 -0.07 0.00 -0.62 0.00 0.00 57.03 56.33 3iad h ASP 500 Cb 0.52 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.85 3iad h ASP 500 CO 0.03 0.65 -0.21 0.03 -3.12 0.00 0.00 179.24 176.61 3iad h ARG 501 N 0.73 0.32 -0.41 3.56 3.08 -1.04 -2.07 114.38 118.56 3iad h ARG 501 Ca 0.17 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 3iad h ARG 501 Cb 0.20 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3iad h ARG 501 CO -0.01 0.81 -0.01 0.97 -1.07 0.00 0.00 179.97 180.66 3iad h ILE 502 N -0.13 1.22 -0.20 2.04 6.09 -1.16 -2.11 117.51 123.26 3iad h ILE 502 Ca 0.00 -0.92 -0.16 0.00 -1.37 0.00 0.00 64.86 62.41 3iad h ILE 502 Cb 0.81 0.93 -0.01 0.00 0.47 0.00 0.00 36.82 39.02 3iad h ILE 502 CO 0.05 0.32 -0.52 0.24 -3.07 0.00 0.00 178.15 175.16 3iad h MET 503 N 0.62 0.56 -0.33 2.19 2.86 -1.29 -0.84 114.93 118.69 3iad h MET 503 Ca 0.13 -0.34 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 3iad h MET 503 Cb 0.41 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 3iad h MET 503 CO 0.02 0.94 0.12 1.49 1.06 0.00 0.00 176.91 180.54 3iad h GLU 504 N 0.44 0.50 -0.78 1.72 4.81 -1.06 -0.66 114.58 119.55 3iad h GLU 504 Ca 0.01 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 3iad h GLU 504 Cb 1.06 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.32 3iad h GLU 504 CO 0.10 0.51 0.36 1.49 -0.73 0.00 0.00 179.01 180.74 3iad h GLU 505 N 0.38 1.13 -0.42 1.92 4.81 -1.32 -1.72 114.58 119.37 3iad h GLU 505 Ca 0.11 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 3iad h GLU 505 Cb 0.21 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3iad h GLU 505 CO -0.01 0.89 0.12 0.74 -0.73 0.00 0.00 179.01 180.02 3iad h PHE 506 N 1.11 0.68 0.00 0.92 -1.00 -0.97 -2.70 116.94 114.98 3iad h PHE 506 Ca 0.27 -0.07 -0.05 0.00 2.81 0.00 0.00 57.97 60.93 3iad h PHE 506 Cb 0.14 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.50 3iad h PHE 506 CO 0.01 0.63 -0.22 0.74 -1.61 0.00 0.00 178.31 177.87 3iad h PHE 507 N 0.53 0.00 -0.42 -0.55 0.04 -0.90 -1.52 116.94 114.12 3iad h PHE 507 Ca 0.13 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.80 3iad h PHE 507 Cb 0.28 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 3iad h PHE 507 CO 0.01 0.22 -0.17 0.00 -0.60 0.00 0.00 178.31 177.77 3iad h ARG 508 N 0.00 0.80 -0.32 1.51 -0.00 -1.04 0.04 114.38 115.37 3iad h ARG 508 Ca -0.00 -0.30 -0.06 0.00 -0.50 0.00 0.00 59.98 59.12 3iad h ARG 508 Cb 0.41 -0.05 -0.01 0.00 0.00 0.00 0.00 29.97 30.31 3iad h ARG 508 CO 0.03 0.91 -0.02 0.37 0.00 0.00 0.00 179.97 181.25 3iad h GLN 509 N 0.71 0.59 -0.77 0.04 4.15 -1.04 -1.18 115.11 117.60 3iad h GLN 509 Ca 0.11 -0.20 0.07 0.00 0.77 0.00 0.00 58.65 59.40 3iad h GLN 509 Cb 0.67 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.25 3iad h GLN 509 CO 0.05 0.74 0.45 0.78 -1.93 0.00 0.00 178.83 178.91 3iad h GLY 510 N 0.38 1.17 1.20 2.39 0.00 -1.20 0.32 103.07 107.33 3iad h GLY 510 Ca 0.09 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 3iad h GLY 510 CO 0.02 0.18 0.33 -0.55 0.00 0.00 0.00 176.54 176.51 3iad h ASP 511 N 0.80 0.94 -0.16 0.19 3.32 -0.80 -0.55 116.42 120.15 3iad h ASP 511 Ca 0.35 -0.11 -0.17 0.00 0.02 0.00 0.00 57.03 57.12 3iad h ASP 511 Cb 0.24 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3iad h ASP 511 CO -0.20 0.80 -0.53 0.03 -1.72 0.00 0.00 179.24 177.62 3iad h ARG 512 N 1.02 0.74 -0.71 3.56 3.08 -0.26 -2.77 114.38 119.03 3iad h ARG 512 Ca 0.25 -0.46 -0.07 0.00 0.07 0.00 0.00 59.98 59.77 3iad h ARG 512 Cb 0.13 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 3iad h ARG 512 CO -0.03 1.08 0.17 0.93 -1.07 0.00 0.00 179.97 181.05 3iad h GLU 513 N 0.57 1.14 -0.11 0.04 5.08 -0.04 -2.98 114.58 118.28 3iad h GLU 513 Ca 0.02 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 3iad h GLU 513 Cb 1.11 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 3iad h GLU 513 CO 0.11 1.00 -0.02 -0.09 -1.00 0.00 0.00 179.01 179.01 3iad h ARG 514 N 1.08 0.22 -0.85 2.33 2.43 -1.09 0.11 114.38 118.61 3iad h ARG 514 Ca 0.22 -0.08 0.16 0.00 -0.81 0.00 0.00 59.98 59.47 3iad h ARG 514 Cb 0.38 -0.01 -0.16 0.00 -0.42 0.00 0.00 29.97 29.76 3iad h ARG 514 CO 0.00 0.51 -0.27 0.93 -1.51 0.00 0.00 179.97 179.64 3iad h GLU 515 N -0.10 -0.02 -0.00 0.20 5.08 -1.53 -1.63 114.58 116.58 3iad h GLU 515 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3iad h GLU 515 Cb 0.43 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3iad h GLU 515 CO 0.01 -0.02 -0.02 0.54 -1.00 0.00 0.00 179.01 178.52 3iad n ARG 516 N -5.52 0.37 -1.33 2.33 1.74 -1.07 -4.90 116.66 108.27 3iad n ARG 516 Ca 0.11 -0.02 -0.06 0.00 -0.77 0.00 0.00 57.85 57.11 3iad n ARG 516 Cb 0.42 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.34 3iad n ARG 516 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iad n GLY 517 N 1.33 0.70 3.88 -0.13 0.00 -0.61 -5.04 105.19 105.32 3iad n GLY 517 Ca 0.13 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 3iad n GLY 517 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3iad s MET 518 N -2.80 3.46 0.17 1.61 -1.94 -0.04 -5.02 119.30 114.76 3iad s MET 518 Ca 0.00 0.51 -0.31 0.00 -1.71 0.00 0.00 55.69 54.18 3iad s MET 518 Cb 0.00 -2.17 -0.10 0.00 2.01 0.00 0.00 34.83 34.57 3iad s MET 518 CO 0.00 -0.52 1.55 -1.21 -0.01 0.00 0.00 175.02 174.83 3iad s GLU 519 N -5.06 4.22 0.00 2.03 2.02 -1.26 -4.45 118.70 116.20 3iad s GLU 519 Ca 0.53 2.35 -0.30 0.00 0.02 0.00 0.00 54.97 57.57 3iad s GLU 519 Cb -0.11 -3.15 -0.05 0.00 0.10 0.00 0.00 34.13 30.92 3iad s GLU 519 CO 0.51 -0.58 1.28 0.42 0.02 0.00 0.00 175.26 176.90 3iad s ILE 520 N 1.01 3.96 0.71 -1.63 1.01 -1.26 -4.95 121.20 120.06 3iad s ILE 520 Ca 0.69 1.35 -0.15 0.00 0.00 0.00 0.00 60.65 62.54 3iad s ILE 520 Cb -0.43 -3.87 0.03 0.00 0.01 0.00 0.00 42.46 38.20 3iad s ILE 520 CO 0.33 0.03 1.17 -0.44 0.00 0.00 0.00 174.94 176.03 3iad s SER 521 N 1.48 4.49 0.22 3.58 0.01 -1.26 -4.91 113.70 117.30 3iad s SER 521 Ca 0.60 2.23 -0.31 0.00 1.31 0.00 0.00 55.95 59.78 3iad s SER 521 Cb -0.29 -2.58 -0.15 0.00 0.21 0.00 0.00 66.02 63.21 3iad s SER 521 CO 0.26 -2.06 1.05 -2.65 0.41 0.00 0.00 173.24 170.25 3iad n PRO 522 N -2.64 1.14 -1.28 12.44 -0.02 -1.26 -1.76 135.00 141.61 3iad n PRO 522 Ca 0.12 0.40 -0.10 0.00 -2.02 0.00 0.00 63.50 61.91 3iad n PRO 522 Cb 0.51 -1.81 -0.04 0.00 -0.02 0.00 0.00 33.50 32.13 3iad n PRO 522 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3iad n MET 523 N 1.29 -1.69 0.00 -0.52 2.81 -1.26 -4.82 117.12 112.92 3iad n MET 523 Ca 0.13 0.84 0.06 0.00 -1.81 0.00 0.00 57.70 56.92 3iad n MET 523 Cb 0.27 -5.25 -0.00 0.00 -0.71 0.00 0.00 33.22 27.53 3iad n MET 523 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3iad s ASP 525 N -1.60 6.42 0.53 0.00 -1.08 -1.26 -3.66 116.67 116.02 3iad s ASP 525 Ca 0.11 -0.01 0.31 0.00 -0.52 0.00 0.00 52.55 52.44 3iad s ASP 525 Cb 0.10 -2.36 1.32 0.00 -1.46 0.00 0.00 42.92 40.52 3iad s ASP 525 CO 0.32 -0.78 1.97 0.07 0.52 0.00 0.00 175.17 177.27 3iad h LYS 526 N 8.75 0.00 0.00 4.34 2.10 -1.91 -2.31 116.57 127.53 3iad h LYS 526 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 3iad h LYS 526 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 3iad h LYS 526 CO 0.91 0.07 -0.09 0.72 -2.00 0.00 0.00 179.45 179.06 3iad n HIS 527 N -3.22 0.91 -3.01 0.07 8.25 -1.26 -4.55 115.22 112.41 3iad n HIS 527 Ca 0.00 0.26 -0.16 0.00 -0.26 0.00 0.00 57.72 57.56 3iad n HIS 527 Cb 0.32 -0.92 -0.02 0.00 1.12 0.00 0.00 29.99 30.49 3iad n HIS 527 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3iad n ASN 528 N -2.27 -1.52 -3.83 0.41 4.05 -0.88 -5.12 115.26 106.10 3iad n ASN 528 Ca 0.05 -2.89 -0.13 0.00 0.45 0.00 0.00 54.58 52.06 3iad n ASN 528 Cb 0.43 0.58 -0.15 0.00 1.23 0.00 0.00 39.78 41.87 3iad n ASN 528 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3iad s ALA 529 N -0.05 0.01 -0.87 5.20 0.00 -1.18 -4.63 121.76 120.24 3iad s ALA 529 Ca 0.33 0.12 -0.00 0.00 0.00 0.00 0.00 51.96 52.41 3iad s ALA 529 Cb 0.15 -0.09 0.21 0.00 0.00 0.00 0.00 23.12 23.39 3iad s ALA 529 CO -0.16 -0.04 0.74 0.45 0.00 0.00 0.00 175.76 176.75 3iad n SER 530 N 3.45 4.02 -0.19 0.00 2.88 -1.26 -4.95 113.62 117.56 3iad n SER 530 Ca -0.17 -3.16 -0.01 0.00 -1.33 0.00 0.00 58.87 54.20 3iad n SER 530 Cb 0.57 -1.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.12 3iad n SER 530 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3iad h VAL 531 N 4.07 0.82 -0.11 2.46 2.07 -2.00 -1.94 116.25 121.63 3iad h VAL 531 Ca 0.16 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 3iad h VAL 531 Cb 0.79 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3iad h VAL 531 CO 0.84 0.08 -0.03 -0.33 0.02 0.00 0.00 177.57 178.15 3iad h GLU 532 N 0.42 0.22 -0.11 1.57 3.07 -1.92 -2.77 114.58 115.06 3iad h GLU 532 Ca 0.28 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.36 59.03 3iad h GLU 532 Cb 0.30 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 3iad h GLU 532 CO -0.26 0.53 -0.03 -0.22 -1.40 0.00 0.00 179.01 177.63 3iad h LYS 533 N -0.11 0.15 -0.36 2.33 3.64 -1.81 -2.77 116.57 117.64 3iad h LYS 533 Ca 0.03 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 3iad h LYS 533 Cb 0.45 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3iad h LYS 533 CO 0.01 0.20 -0.42 0.77 -2.27 0.00 0.00 179.45 177.74 3iad h SER 534 N 0.15 0.98 -0.70 4.20 0.02 -1.17 -1.77 113.55 115.26 3iad h SER 534 Ca 0.04 -0.46 -0.04 0.00 -0.84 0.00 0.00 61.79 60.48 3iad h SER 534 Cb 0.16 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 3iad h SER 534 CO 0.01 1.26 0.26 1.56 -1.14 0.00 0.00 176.83 178.78 3iad h GLN 535 N 0.73 1.05 -0.89 3.45 1.08 -1.23 0.51 115.11 119.82 3iad h GLN 535 Ca 0.05 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 57.03 3iad h GLN 535 Cb 1.02 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 28.24 3iad h GLN 535 CO 0.10 0.88 0.49 0.28 -0.95 0.00 0.00 178.83 179.63 3iad h VAL 536 N 1.00 1.26 -0.32 -0.54 2.07 -1.43 -0.49 116.25 117.79 3iad h VAL 536 Ca 0.23 -0.63 -0.09 0.00 0.82 0.00 0.00 66.70 67.02 3iad h VAL 536 Cb 0.23 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 3iad h VAL 536 CO -0.02 0.29 -0.17 1.23 0.02 0.00 0.00 177.57 178.92 3iad h GLY 537 N 1.25 0.74 0.79 2.17 0.00 -0.77 -0.20 103.07 107.06 3iad h GLY 537 Ca 0.31 -0.67 0.04 0.00 0.00 0.00 0.00 47.33 47.01 3iad h GLY 537 CO -0.05 0.61 0.36 -2.75 0.00 0.00 0.00 176.54 174.71 3iad h PHE 538 N 0.45 0.67 -0.21 5.60 3.57 0.20 -1.42 116.94 125.79 3iad h PHE 538 Ca 0.07 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 3iad h PHE 538 Cb 0.70 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 3iad h PHE 538 CO 0.06 0.36 -0.06 0.82 -2.23 0.00 0.00 178.31 177.25 3iad h ILE 539 N 0.69 1.29 -0.40 1.41 2.04 -1.02 -0.01 117.51 121.51 3iad h ILE 539 Ca 0.26 -1.07 -0.08 0.00 1.00 0.00 0.00 64.86 64.97 3iad h ILE 539 Cb 0.09 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 3iad h ILE 539 CO -0.13 0.33 -0.06 0.44 0.00 0.00 0.00 178.15 178.72 3iad h ASP 540 N 0.13 0.75 0.14 1.72 3.32 -0.82 0.19 116.42 121.84 3iad h ASP 540 Ca 0.05 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3iad h ASP 540 Cb 0.52 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3iad h ASP 540 CO 0.02 0.92 -1.77 -1.22 -1.72 0.00 0.00 179.24 175.47 3iad n TYR 541 N -4.37 0.13 0.10 4.55 4.02 -0.56 -4.48 117.16 116.54 3iad n TYR 541 Ca -0.01 0.04 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 3iad n TYR 541 Cb 0.34 -0.51 0.00 0.00 -0.02 0.00 0.00 39.34 39.14 3iad n TYR 541 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3iad n ILE 542 N -2.24 0.62 -0.07 -0.72 5.41 -0.88 -4.77 119.36 116.70 3iad n ILE 542 Ca -0.03 0.20 -0.12 0.00 1.00 0.00 0.00 62.75 63.80 3iad n ILE 542 Cb 0.54 -1.04 -0.05 0.00 -0.71 0.00 0.00 39.64 38.38 3iad n ILE 542 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3iad h VAL 543 N 0.00 1.31 -0.37 1.39 2.07 -1.04 -2.31 116.25 117.31 3iad h VAL 543 Ca 0.00 -1.23 -0.15 0.00 0.82 0.00 0.00 66.70 66.14 3iad h VAL 543 Cb 0.00 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3iad h VAL 543 CO 0.00 0.38 -0.36 -0.74 0.02 0.00 0.00 177.57 176.87 3iad h HIS 544 N 0.17 1.07 -0.75 1.57 -0.00 -0.84 -0.94 115.15 115.43 3iad h HIS 544 Ca 0.04 -0.32 -0.01 0.00 -0.00 0.00 0.00 60.37 60.08 3iad h HIS 544 Cb 0.64 -0.23 -0.04 0.00 -0.00 0.00 0.00 27.41 27.79 3iad h HIS 544 CO 0.07 1.13 0.42 -1.35 -0.00 0.00 0.00 177.93 178.20 3iad h PRO 545 N 0.70 1.04 0.12 5.26 0.11 -1.74 -0.85 132.00 136.63 3iad h PRO 545 Ca 0.06 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 3iad h PRO 545 Cb 0.95 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3iad h PRO 545 CO 0.09 0.75 -0.06 1.25 -0.21 0.00 0.00 178.00 179.83 3iad h LEU 546 N 1.05 -0.13 -1.06 2.35 5.85 -1.29 -2.80 115.31 119.27 3iad h LEU 546 Ca 0.27 -0.31 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 3iad h LEU 546 Cb 0.01 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3iad h LEU 546 CO -0.04 0.25 -0.42 -0.50 -0.34 0.00 0.00 178.44 177.39 3iad h TRP 547 N -0.54 0.11 -0.46 1.25 4.06 -1.14 -1.07 115.95 118.15 3iad h TRP 547 Ca -0.02 -0.03 -0.10 0.00 2.06 0.00 0.00 58.89 60.81 3iad h TRP 547 Cb 0.44 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.55 3iad h TRP 547 CO 0.05 0.51 -0.09 1.49 -3.56 0.00 0.00 178.44 176.84 3iad h GLU 548 N 0.08 0.88 -0.36 0.49 4.81 -1.22 0.46 114.58 119.72 3iad h GLU 548 Ca 0.01 -0.33 -0.09 0.00 -0.13 0.00 0.00 59.36 58.82 3iad h GLU 548 Cb 0.78 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 3iad h GLU 548 CO 0.06 0.97 -0.16 1.15 -0.73 0.00 0.00 179.01 180.30 3iad h THR 549 N 0.72 1.26 -0.11 0.32 2.02 -1.20 -1.89 112.91 114.03 3iad h THR 549 Ca 0.12 -1.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.08 3iad h THR 549 Cb 0.63 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 3iad h THR 549 CO 0.04 0.39 -0.06 -0.25 0.37 0.00 0.00 175.52 176.02 3iad h TRP 550 N 0.59 0.26 -0.98 3.16 2.91 -0.98 -2.77 115.95 118.14 3iad h TRP 550 Ca 0.10 -0.07 0.16 0.00 1.13 0.00 0.00 58.89 60.21 3iad h TRP 550 Cb 0.61 -0.06 -0.09 0.00 -0.51 0.00 0.00 29.16 29.11 3iad h TRP 550 CO 0.03 0.59 0.61 0.00 -1.03 0.00 0.00 178.44 178.64 3iad h ALA 551 N 0.64 1.69 -0.24 2.65 0.00 0.02 -1.34 119.26 122.67 3iad h ALA 551 Ca 0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3iad h ALA 551 Cb 0.52 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3iad h ALA 551 CO 0.02 0.01 0.12 -0.44 0.00 0.00 0.00 179.25 178.96 3iad h ASP 552 N 0.81 0.31 -0.29 0.00 3.32 -1.29 -1.26 116.42 118.02 3iad h ASP 552 Ca 0.52 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.44 3iad h ASP 552 Cb 0.75 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 3iad h ASP 552 CO -0.29 0.33 0.12 0.25 -1.72 0.00 0.00 179.24 177.93 3iad h LEU 553 N 0.27 0.45 -3.37 1.55 5.85 -0.97 -2.75 115.31 116.34 3iad h LEU 553 Ca 0.08 -0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.57 3iad h LEU 553 Cb 0.10 -0.11 -0.11 0.00 0.37 0.00 0.00 40.66 40.90 3iad h LEU 553 CO -0.01 0.43 -0.06 1.33 -0.34 0.00 0.00 178.44 179.78 3iad n VAL 554 N -4.38 2.58 -1.72 1.05 0.24 -0.85 -5.04 118.33 110.21 3iad n VAL 554 Ca 0.02 -2.73 -0.43 0.00 -2.04 0.00 0.00 64.34 59.17 3iad n VAL 554 Cb 0.15 -0.32 -0.02 0.00 -1.47 0.00 0.00 33.84 32.18 3iad n VAL 554 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3iad n HIS 555 N -1.12 2.61 -1.00 6.34 -0.00 -0.48 -1.34 115.22 120.23 3iad n HIS 555 Ca 0.34 0.35 0.04 0.00 -0.00 0.00 0.00 57.72 58.45 3iad n HIS 555 Cb 1.06 -2.53 0.32 0.00 -0.00 0.00 0.00 29.99 28.84 3iad n HIS 555 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3iad n PRO 556 N 1.80 3.80 0.23 1.57 -0.04 -1.26 -4.94 135.00 136.16 3iad n PRO 556 Ca 0.08 -3.05 0.07 0.00 -0.04 0.00 0.00 63.50 60.57 3iad n PRO 556 Cb 0.35 -2.09 0.56 0.00 -0.04 0.00 0.00 33.50 32.28 3iad n PRO 556 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3iad h ASP 557 N 2.78 0.00 -0.33 3.54 3.32 -1.50 -2.53 116.42 121.70 3iad h ASP 557 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3iad h ASP 557 Cb 1.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.41 3iad h ASP 557 CO 0.45 0.16 0.00 0.00 -1.72 0.00 0.00 179.24 178.13 3iad n ALA 558 N -2.46 2.46 -0.16 3.45 0.00 -1.26 -4.48 120.51 118.06 3iad n ALA 558 Ca -0.02 -0.67 -0.09 0.00 0.00 0.00 0.00 53.44 52.66 3iad n ALA 558 Cb 0.23 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3iad n ALA 558 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3iad h GLN 559 N 2.43 0.72 0.00 0.00 5.75 -1.80 -2.02 115.11 120.19 3iad h GLN 559 Ca 0.00 -0.16 -0.04 0.00 -0.15 0.00 0.00 58.65 58.30 3iad h GLN 559 Cb 0.55 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.99 3iad h GLN 559 CO 0.00 0.70 -0.19 -0.44 -2.65 0.00 0.00 178.83 176.25 3iad h ASP 560 N 0.61 0.00 -0.16 -0.69 3.32 -1.84 -1.43 116.42 116.24 3iad h ASP 560 Ca 0.15 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 3iad h ASP 560 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3iad h ASP 560 CO -0.00 0.19 -0.28 0.40 -1.72 0.00 0.00 179.24 177.83 3iad h ILE 561 N 0.00 1.35 -0.43 0.35 2.04 -1.72 -2.83 117.51 116.27 3iad h ILE 561 Ca -0.00 -1.52 0.01 0.00 1.00 0.00 0.00 64.86 64.35 3iad h ILE 561 Cb 0.41 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 3iad h ILE 561 CO 0.02 0.46 0.28 -0.07 0.00 0.00 0.00 178.15 178.84 3iad h LEU 562 N 0.09 0.47 -0.93 1.44 3.38 -1.03 -1.69 115.31 117.04 3iad h LEU 562 Ca 0.01 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.06 3iad h LEU 562 Cb 0.86 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.43 3iad h LEU 562 CO 0.06 0.34 0.58 0.44 0.09 0.00 0.00 178.44 179.95 3iad h ASP 563 N 0.56 0.88 -0.37 -0.43 3.32 -1.29 0.21 116.42 119.30 3iad h ASP 563 Ca 0.16 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.17 3iad h ASP 563 Cb -0.05 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3iad h ASP 563 CO -0.05 0.53 -0.06 0.74 -1.72 0.00 0.00 179.24 178.68 3iad h THR 564 N 1.00 1.27 -0.53 0.35 2.02 -1.25 0.25 112.91 116.01 3iad h THR 564 Ca 0.43 -1.11 0.05 0.00 0.77 0.00 0.00 66.41 66.54 3iad h THR 564 Cb 0.30 1.24 -0.05 0.00 -1.74 0.00 0.00 68.15 67.90 3iad h THR 564 CO -0.21 0.37 0.27 0.25 0.37 0.00 0.00 175.52 176.57 3iad h LEU 565 N 0.50 0.39 -0.93 2.58 5.85 -0.37 0.17 115.31 123.51 3iad h LEU 565 Ca 0.10 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.74 3iad h LEU 565 Cb 0.56 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3iad h LEU 565 CO 0.03 0.27 -0.43 -0.33 -0.34 0.00 0.00 178.44 177.64 3iad h GLU 566 N 0.52 0.23 -0.01 1.25 5.08 -0.53 -1.62 114.58 119.50 3iad h GLU 566 Ca 0.24 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3iad h GLU 566 Cb 0.15 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3iad h GLU 566 CO -0.17 0.62 -0.00 -0.44 -1.00 0.00 0.00 179.01 178.02 3iad h ASP 567 N 0.19 0.02 -0.14 1.42 5.19 -0.37 -3.02 116.42 119.70 3iad h ASP 567 Ca 0.02 -0.40 -0.04 0.00 -0.62 0.00 0.00 57.03 55.99 3iad h ASP 567 Cb 0.84 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.33 3iad h ASP 567 CO 0.07 0.41 -0.02 0.78 -3.12 0.00 0.00 179.24 177.36 3iad h ASN 568 N -0.38 0.36 -0.44 6.45 2.35 -0.65 -1.62 115.58 121.66 3iad h ASN 568 Ca 0.00 -0.06 0.07 0.00 -0.55 0.00 0.00 56.30 55.76 3iad h ASN 568 Cb 0.40 -0.09 -0.06 0.00 0.05 0.00 0.00 38.32 38.62 3iad h ASN 568 CO 0.00 0.44 0.07 -0.09 -1.65 0.00 0.00 177.43 176.20 3iad h ARG 569 N 0.38 0.20 -0.04 0.81 1.12 -1.32 -2.06 114.38 113.45 3iad h ARG 569 Ca 0.08 -0.01 -0.15 0.00 -1.11 0.00 0.00 59.98 58.79 3iad h ARG 569 Cb 0.29 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.19 3iad h ARG 569 CO 0.01 0.13 -0.64 0.93 -3.11 0.00 0.00 179.97 177.29 3iad h GLU 570 N 0.20 0.17 -0.47 0.20 4.39 -1.20 -1.86 114.58 116.02 3iad h GLU 570 Ca 0.22 -0.13 -0.13 0.00 0.34 0.00 0.00 59.36 59.66 3iad h GLU 570 Cb 0.28 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3iad h GLU 570 CO -0.29 0.75 -0.22 2.35 -1.16 0.00 0.00 179.01 180.44 3iad h TRP 571 N 0.12 1.11 -0.28 4.33 7.01 -1.07 -2.44 115.95 124.73 3iad h TRP 571 Ca -0.01 -0.27 -0.18 0.00 2.11 0.00 0.00 58.89 60.54 3iad h TRP 571 Cb 1.15 -0.26 -0.00 0.00 -2.10 0.00 0.00 29.16 27.95 3iad h TRP 571 CO 0.02 1.09 -0.54 1.88 -2.79 0.00 0.00 178.44 178.09 3iad h TYR 572 N 0.84 1.05 -0.80 2.65 0.05 -1.31 -2.94 116.97 116.52 3iad h TYR 572 Ca 0.11 -0.37 0.16 0.00 0.05 0.00 0.00 58.73 58.68 3iad h TYR 572 Cb 0.79 -0.20 -0.10 0.00 1.01 0.00 0.00 36.73 38.23 3iad h TYR 572 CO 0.05 1.19 0.32 0.37 -1.05 0.00 0.00 178.16 179.05 3iad h GLN 573 N 0.64 0.42 0.00 4.88 5.75 -1.28 -0.25 115.11 125.28 3iad h GLN 573 Ca 0.01 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 3iad h GLN 573 Cb 1.15 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.59 3iad h GLN 573 CO 0.12 0.28 -0.27 0.66 -2.65 0.00 0.00 178.83 176.97 3iad h SER 574 N 0.44 0.00 1.23 -0.69 4.64 -1.35 -2.84 113.55 114.98 3iad h SER 574 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 3iad h SER 574 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3iad h SER 574 CO -0.44 0.27 -0.02 0.41 -0.87 0.00 0.00 176.83 176.18 3iad n THR 575 N -3.69 0.31 -1.92 2.95 -1.04 -0.13 -4.85 114.28 105.89 3iad n THR 575 Ca -0.01 -0.15 -0.42 0.00 -2.04 0.00 0.00 64.05 61.43 3iad n THR 575 Cb 0.38 -0.53 -0.03 0.00 -1.82 0.00 0.00 70.33 68.34 3iad n THR 575 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3iad s ILE 576 N -3.05 3.44 0.89 12.58 1.01 -1.01 -4.96 121.20 130.09 3iad s ILE 576 Ca 0.12 0.53 -0.11 0.00 0.00 0.00 0.00 60.65 61.20 3iad s ILE 576 Cb 0.16 -3.34 0.13 0.00 0.01 0.00 0.00 42.46 39.41 3iad s ILE 576 CO 0.57 -0.05 1.11 -2.84 0.00 0.00 0.00 174.94 173.73 3iad s PRO 577 N 4.15 1.28 3.54 2.79 0.02 -1.26 -5.09 135.00 140.43 3iad s PRO 577 Ca 0.77 1.27 0.00 0.00 0.02 0.00 0.00 61.00 63.06 3iad s PRO 577 Cb -0.36 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.39 3iad s PRO 577 CO 0.33 -2.36 0.00 0.94 -0.33 0.00 0.00 177.00 175.58 3iad n GLN 578 N -4.02 0.00 -3.59 5.54 7.27 -1.26 -5.14 117.38 116.18 3iad n GLN 578 Ca 0.10 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.15 3iad n GLN 578 Cb 0.53 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.12 3iad n GLN 578 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 3iad s ASN 594 N -4.00 -0.56 0.30 1.69 3.04 -1.26 -5.30 114.94 108.85 3iad s ASN 594 Ca 0.00 0.86 0.15 0.00 0.04 0.00 0.00 52.86 53.92 3iad s ASN 594 Cb 0.00 1.35 0.33 0.00 -1.54 0.00 0.00 41.25 41.39 3iad s ASN 594 CO 0.00 -0.13 1.57 1.56 -3.04 0.00 0.00 177.10 177.06 3iad h GLN 595 N 6.48 0.00 -0.22 0.43 4.20 -1.99 -3.04 115.11 120.98 3iad h GLN 595 Ca -0.25 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.46 3iad h GLN 595 Cb 1.17 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 3iad h GLN 595 CO 0.17 0.52 0.13 0.28 -0.67 0.00 0.00 178.83 179.25 3iad h VAL 596 N 0.00 1.08 -0.51 -0.54 2.07 -1.97 0.17 116.25 116.54 3iad h VAL 596 Ca -0.01 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.20 3iad h VAL 596 Cb 1.19 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 3iad h VAL 596 CO 0.07 0.08 -0.11 -1.28 0.02 0.00 0.00 177.57 176.34 3iad h SER 597 N 0.26 0.96 -0.38 0.57 0.87 -1.99 -1.77 113.55 112.08 3iad h SER 597 Ca 0.08 -0.31 -0.04 0.00 -1.23 0.00 0.00 61.79 60.29 3iad h SER 597 Cb 0.02 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 3iad h SER 597 CO -0.01 1.08 0.09 -0.33 -0.53 0.00 0.00 176.83 177.13 3iad h GLU 598 N 0.86 0.61 -0.44 2.24 5.08 -1.40 0.15 114.58 121.68 3iad h GLU 598 Ca 0.13 -0.15 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3iad h GLU 598 Cb 0.66 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 3iad h GLU 598 CO 0.05 0.64 0.24 0.35 -1.00 0.00 0.00 179.01 179.29 3iad h PHE 599 N 0.47 0.44 -0.36 4.33 3.04 -0.55 -0.14 116.94 124.17 3iad h PHE 599 Ca 0.12 0.02 -0.16 0.00 3.98 0.00 0.00 57.97 61.92 3iad h PHE 599 Cb 0.31 -0.13 -0.00 0.00 2.56 0.00 0.00 35.95 38.68 3iad h PHE 599 CO 0.02 0.24 -0.41 0.82 -2.02 0.00 0.00 178.31 176.96 3iad h ILE 600 N 0.48 1.27 0.06 1.41 2.04 -1.22 -2.31 117.51 119.24 3iad h ILE 600 Ca 0.18 -1.58 -0.00 0.00 1.00 0.00 0.00 64.86 64.46 3iad h ILE 600 Cb 0.06 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3iad h ILE 600 CO -0.11 0.53 -0.03 0.28 0.00 0.00 0.00 178.15 178.82 3iad h SER 601 N 0.71 -0.06 0.72 1.72 0.02 -0.83 -2.66 113.55 113.18 3iad h SER 601 Ca 0.05 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.85 3iad h SER 601 Cb 1.01 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 3iad h SER 601 CO 0.10 0.05 -0.27 0.78 -1.14 0.00 0.00 176.83 176.34 3iad h ASN 602 N -0.17 0.00 0.00 3.07 2.35 -1.01 -3.29 115.58 116.53 3iad h ASN 602 Ca -0.01 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.35 3iad h ASN 602 Cb 0.15 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.46 3iad h ASN 602 CO 0.01 0.27 -2.36 0.41 -1.65 0.00 0.00 177.43 174.11 3iad n THR 603 N -3.56 1.35 0.90 2.81 -1.04 -0.87 -4.70 114.28 109.18 3iad n THR 603 Ca -0.01 -0.43 0.11 0.00 -2.04 0.00 0.00 64.05 61.69 3iad n THR 603 Cb 0.42 -1.60 0.08 0.00 -1.82 0.00 0.00 70.33 67.41 3iad n THR 603 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3iad n PHE 604 N -3.68 0.00 -4.55 -1.42 3.01 -1.00 -2.08 117.46 107.74 3iad n PHE 604 Ca -0.46 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 57.68 3iad n PHE 604 Cb 0.89 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 40.25 3iad n PHE 604 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3iad s LEU 605 N -1.84 3.10 0.00 4.37 1.43 -1.24 -3.70 118.68 120.80 3iad s LEU 605 Ca 0.25 -0.13 0.27 0.00 -1.03 0.00 0.00 54.13 53.48 3iad s LEU 605 Cb 0.18 -1.75 1.59 0.00 0.03 0.00 0.00 46.19 46.25 3iad s LEU 605 CO 0.29 0.31 1.94 -0.67 0.23 0.00 0.00 176.35 178.45