#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ibi s GLN 264 N 0.00 1.69 -0.47 0.00 -0.21 -1.26 -4.46 119.66 114.95 2ibi s GLN 264 Ca 0.00 -1.47 0.00 0.00 0.02 0.00 0.00 55.36 53.91 2ibi s GLN 264 Cb 0.00 -1.93 0.00 0.00 1.00 0.00 0.00 33.01 32.08 2ibi s GLN 264 CO 0.00 0.40 0.00 0.41 -2.12 0.00 0.00 175.29 173.98 2ibi n GLY 265 N 0.13 0.69 2.57 3.09 0.00 -1.25 -4.92 105.19 105.50 2ibi n GLY 265 Ca -0.11 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 2ibi n GLY 265 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ibi n LEU 266 N -0.51 7.34 -4.82 0.99 4.77 -1.26 -4.91 117.00 118.60 2ibi n LEU 266 Ca -0.04 -4.59 -0.38 0.00 -0.03 0.00 0.00 56.01 50.96 2ibi n LEU 266 Cb 0.23 -0.96 -0.06 0.00 -2.33 0.00 0.00 43.42 40.31 2ibi n LEU 266 CO 0.07 1.67 0.14 0.00 -1.33 0.00 0.00 177.39 177.93 2ibi s ALA 267 N -3.91 3.66 0.69 -1.18 0.00 -1.26 -4.22 121.76 115.54 2ibi s ALA 267 Ca 0.58 -0.17 -0.06 0.00 0.00 0.00 0.00 51.96 52.31 2ibi s ALA 267 Cb 0.47 -2.45 0.06 0.00 0.00 0.00 0.00 23.12 21.20 2ibi s ALA 267 CO -0.19 0.42 0.99 0.20 0.00 0.00 0.00 175.76 177.19 2ibi s GLY 268 N -0.92 1.71 -0.09 0.00 0.00 -0.60 -4.88 107.32 102.54 2ibi s GLY 268 Ca 0.25 -1.02 0.04 0.00 0.00 0.00 0.00 44.72 43.98 2ibi s GLY 268 CO 0.14 -0.62 -0.23 1.08 0.00 0.00 0.00 173.10 173.47 2ibi s LEU 269 N -5.20 2.05 0.10 0.66 1.43 -0.16 0.25 118.68 117.81 2ibi s LEU 269 Ca 0.60 -0.53 -0.31 0.00 -1.03 0.00 0.00 54.13 52.87 2ibi s LEU 269 Cb -0.10 -1.35 -0.09 0.00 0.03 0.00 0.00 46.19 44.68 2ibi s LEU 269 CO 0.44 0.16 1.57 -0.60 0.23 0.00 0.00 176.35 178.15 2ibi s ARG 270 N 0.31 4.23 0.10 1.70 3.52 0.18 -1.72 118.95 127.27 2ibi s ARG 270 Ca -0.17 2.28 -0.32 0.00 -0.13 0.00 0.00 55.73 57.39 2ibi s ARG 270 Cb -0.17 -3.41 -0.11 0.00 -1.56 0.00 0.00 34.95 29.70 2ibi s ARG 270 CO 0.08 -0.64 1.84 -1.71 -0.81 0.00 0.00 175.30 174.05 2ibi n ASN 271 N 4.86 3.95 -0.60 -2.12 5.15 -1.26 -4.63 115.26 120.61 2ibi n ASN 271 Ca 0.14 0.99 0.06 0.00 -0.60 0.00 0.00 54.58 55.17 2ibi n ASN 271 Cb 0.40 -1.52 0.13 0.00 -0.53 0.00 0.00 39.78 38.26 2ibi n ASN 271 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2ibi n LEU 272 N 5.71 2.67 0.00 1.20 4.77 -1.26 -4.96 117.00 125.13 2ibi n LEU 272 Ca 0.18 -1.71 0.00 0.00 -0.03 0.00 0.00 56.01 54.46 2ibi n LEU 272 Cb 0.36 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2ibi n LEU 272 CO 0.67 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.97 2ibi n GLY 273 N 0.58 1.39 3.88 -0.72 0.00 -1.26 -4.90 105.19 104.16 2ibi n GLY 273 Ca 0.10 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 2ibi n GLY 273 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ibi n ASN 274 N 0.00 -4.67 -0.95 1.61 3.02 -1.26 -4.54 115.26 108.47 2ibi n ASN 274 Ca 0.00 -0.76 0.08 0.00 -0.03 0.00 0.00 54.58 53.86 2ibi n ASN 274 Cb 0.00 -3.98 0.23 0.00 -0.61 0.00 0.00 39.78 35.42 2ibi n ASN 274 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2ibi n THR 275 N -4.69 1.33 -0.34 3.41 -2.24 -1.26 -4.48 114.28 106.01 2ibi n THR 275 Ca 0.02 -1.17 0.14 0.00 -2.27 0.00 0.00 64.05 60.77 2ibi n THR 275 Cb 0.54 0.33 0.34 0.00 -2.10 0.00 0.00 70.33 69.43 2ibi n THR 275 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ibi h PHE 277 N 0.64 0.13 0.08 0.00 -5.15 -1.86 0.14 116.94 110.91 2ibi h PHE 277 Ca 0.59 0.00 -0.23 0.00 -0.20 0.00 0.00 57.97 58.14 2ibi h PHE 277 Cb 1.02 -0.04 -0.01 0.00 0.22 0.00 0.00 35.95 37.14 2ibi h PHE 277 CO -0.03 0.07 -1.17 1.98 -2.00 0.00 0.00 178.31 177.16 2ibi h MET 278 N 0.13 0.16 -0.68 6.09 4.05 -1.21 -3.21 114.93 120.26 2ibi h MET 278 Ca 0.13 -0.28 0.03 0.00 -0.28 0.00 0.00 59.70 59.30 2ibi h MET 278 Cb 0.37 0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.23 2ibi h MET 278 CO -0.02 1.13 0.43 -0.91 0.23 0.00 0.00 176.91 177.78 2ibi h ASN 279 N -0.54 0.71 -0.29 1.39 2.35 -0.61 -0.15 115.58 118.44 2ibi h ASN 279 Ca -0.27 -0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.53 2ibi h ASN 279 Cb 1.56 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 39.74 2ibi h ASN 279 CO 0.00 0.50 0.03 -1.28 -1.65 0.00 0.00 177.43 175.03 2ibi h SER 280 N 0.85 -0.04 -0.49 5.81 0.87 -0.85 -1.46 113.55 118.23 2ibi h SER 280 Ca 0.27 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.85 2ibi h SER 280 Cb -0.00 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 2ibi h SER 280 CO -0.10 0.01 0.17 0.40 -0.53 0.00 0.00 176.83 176.79 2ibi h ILE 281 N 0.13 1.22 -0.42 2.23 1.08 -1.52 -2.18 117.51 118.05 2ibi h ILE 281 Ca 0.14 -0.72 0.07 0.00 -0.39 0.00 0.00 64.86 63.96 2ibi h ILE 281 Cb 0.16 0.77 -0.02 0.00 -3.07 0.00 0.00 36.82 34.66 2ibi h ILE 281 CO -0.20 0.27 0.29 -0.07 -0.69 0.00 0.00 178.15 177.74 2ibi h LEU 282 N 0.66 0.23 0.13 1.44 3.38 -0.50 -0.83 115.31 119.81 2ibi h LEU 282 Ca 0.16 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.84 2ibi h LEU 282 Cb 0.24 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2ibi h LEU 282 CO -0.01 0.15 -1.36 1.56 0.09 0.00 0.00 178.44 178.87 2ibi h GLN 283 N 0.26 0.28 -0.75 1.13 1.08 -0.97 0.13 115.11 116.27 2ibi h GLN 283 Ca 0.19 -0.47 -0.04 0.00 -1.45 0.00 0.00 58.65 56.88 2ibi h GLN 283 Cb 0.42 0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.99 2ibi h GLN 283 CO -0.04 1.19 0.33 0.00 -0.95 0.00 0.00 178.83 179.36 2ibi h LEU 285 N 1.08 0.73 -1.13 0.00 3.38 -1.16 -2.60 115.31 115.61 2ibi h LEU 285 Ca 0.26 -0.65 0.15 0.00 0.09 0.00 0.00 57.88 57.73 2ibi h LEU 285 Cb 0.16 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 40.59 2ibi h LEU 285 CO -0.03 1.46 0.61 -1.28 0.09 0.00 0.00 178.44 179.29 2ibi h SER 286 N 0.26 0.78 -0.55 -0.43 0.87 -0.57 -1.73 113.55 112.18 2ibi h SER 286 Ca -0.14 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 2ibi h SER 286 Cb 1.79 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.66 2ibi h SER 286 CO 0.21 0.37 0.00 0.59 -0.53 0.00 0.00 176.83 177.47 2ibi n ASN 287 N -4.63 3.03 -4.51 6.23 3.02 -0.51 -4.59 115.26 113.31 2ibi n ASN 287 Ca 0.20 -2.02 -0.42 0.00 -0.03 0.00 0.00 54.58 52.30 2ibi n ASN 287 Cb 0.47 -0.38 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 2ibi n ASN 287 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2ibi s THR 288 N -1.29 4.13 0.07 3.41 2.01 -0.65 -4.64 115.64 118.68 2ibi s THR 288 Ca 0.37 -0.46 -0.14 0.00 0.31 0.00 0.00 61.69 61.78 2ibi s THR 288 Cb 0.20 -4.86 -0.03 0.00 0.01 0.00 0.00 72.50 67.82 2ibi s THR 288 CO 0.25 -1.70 1.23 -1.14 -0.69 0.00 0.00 174.62 172.57 2ibi n ARG 289 N 8.26 -0.19 0.20 4.92 0.63 -1.26 -0.28 116.66 128.94 2ibi n ARG 289 Ca 0.12 1.22 0.07 0.00 -0.92 0.00 0.00 57.85 58.34 2ibi n ARG 289 Cb 0.48 -1.81 0.58 0.00 0.45 0.00 0.00 32.46 32.16 2ibi n ARG 289 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2ibi h GLU 290 N 0.00 0.12 -0.03 -0.14 5.08 -1.96 0.14 114.58 117.78 2ibi h GLU 290 Ca 0.07 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 2ibi h GLU 290 Cb 0.18 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.41 2ibi h GLU 290 CO -0.41 0.10 -0.49 1.25 -1.00 0.00 0.00 179.01 178.46 2ibi h LEU 291 N 0.12 0.49 -0.32 1.33 5.85 -1.38 -2.28 115.31 119.12 2ibi h LEU 291 Ca 0.03 -0.72 0.07 0.00 0.84 0.00 0.00 57.88 58.11 2ibi h LEU 291 Cb 0.03 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 40.83 2ibi h LEU 291 CO -0.00 1.14 -0.18 -0.09 -0.34 0.00 0.00 178.44 178.96 2ibi h ARG 292 N -0.11 -0.14 -0.30 1.25 2.43 0.03 -2.64 114.38 114.91 2ibi h ARG 292 Ca -0.05 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 2ibi h ARG 292 Cb 1.18 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 2ibi h ARG 292 CO 0.10 -0.09 -0.07 -0.44 -1.51 0.00 0.00 179.97 177.96 2ibi h ASP 293 N -0.14 0.46 -0.44 -3.80 3.32 -0.77 0.17 116.42 115.21 2ibi h ASP 293 Ca 0.16 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.16 2ibi h ASP 293 Cb 0.39 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 2ibi h ASP 293 CO -0.40 0.57 0.21 0.22 -1.72 0.00 0.00 179.24 178.12 2ibi h TYR 294 N 0.45 0.38 -0.28 4.55 3.20 -1.24 0.54 116.97 124.56 2ibi h TYR 294 Ca 0.09 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 2ibi h TYR 294 Cb 0.40 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2ibi h TYR 294 CO 0.01 0.18 -0.13 0.00 -1.64 0.00 0.00 178.16 176.58 2ibi h LEU 296 N 0.33 0.88 -0.13 0.00 3.38 -0.53 -2.92 115.31 116.32 2ibi h LEU 296 Ca 0.06 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2ibi h LEU 296 Cb 0.64 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2ibi h LEU 296 CO 0.04 1.13 0.00 0.00 0.09 0.00 0.00 178.44 179.70 2ibi n GLN 297 N -4.07 1.09 -2.22 1.13 6.02 0.16 -4.91 117.38 114.58 2ibi n GLN 297 Ca -0.01 -0.13 -0.20 0.00 -0.01 0.00 0.00 57.00 56.64 2ibi n GLN 297 Cb 0.51 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 30.25 2ibi n GLN 297 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2ibi n ARG 298 N -0.83 -1.67 0.25 -1.09 1.74 -1.10 -4.90 116.66 109.05 2ibi n ARG 298 Ca 0.23 1.03 0.13 0.00 -0.77 0.00 0.00 57.85 58.47 2ibi n ARG 298 Cb 0.14 -5.63 0.51 0.00 -1.02 0.00 0.00 32.46 26.46 2ibi n ARG 298 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2ibi h LEU 299 N 0.00 0.00 -2.39 0.55 3.38 -1.73 -2.99 115.31 112.14 2ibi h LEU 299 Ca -0.47 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.53 2ibi h LEU 299 Cb 1.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 2ibi h LEU 299 CO 0.58 0.10 0.09 0.10 0.09 0.00 0.00 178.44 179.40 2ibi h TYR 300 N 0.00 0.00 -0.58 1.13 -0.00 -1.91 -3.13 116.97 112.48 2ibi h TYR 300 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.71 2ibi h TYR 300 Cb 0.70 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.40 2ibi h TYR 300 CO 0.00 0.00 0.29 0.52 -0.00 0.00 0.00 178.16 178.97 2ibi h MET 301 N 0.00 0.82 -0.93 0.10 2.86 -1.90 -1.72 114.93 114.16 2ibi h MET 301 Ca 0.04 -0.11 0.15 0.00 -2.06 0.00 0.00 59.70 57.71 2ibi h MET 301 Cb 0.22 -0.15 -0.09 0.00 0.06 0.00 0.00 31.60 31.64 2ibi h MET 301 CO -0.00 0.66 0.54 0.00 1.06 0.00 0.00 176.91 179.17 2ibi h ARG 302 N 0.78 0.76 0.00 1.72 3.08 -1.78 -3.16 114.38 115.78 2ibi h ARG 302 Ca 0.20 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2ibi h ARG 302 Cb 0.09 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.97 2ibi h ARG 302 CO -0.03 0.50 -0.44 -0.25 -1.07 0.00 0.00 179.97 178.68 2ibi n ASP 303 N -4.76 0.49 -4.77 7.04 8.00 -0.71 -4.89 116.55 116.95 2ibi n ASP 303 Ca 0.19 -0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.29 2ibi n ASP 303 Cb 0.44 0.08 -0.02 0.00 -0.02 0.00 0.00 41.12 41.60 2ibi n ASP 303 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2ibi s LEU 304 N -3.40 4.36 0.06 0.64 2.96 -0.83 -4.39 118.68 118.08 2ibi s LEU 304 Ca 0.10 2.57 -0.30 0.00 -0.22 0.00 0.00 54.13 56.28 2ibi s LEU 304 Cb 0.16 -3.76 -0.05 0.00 0.50 0.00 0.00 46.19 43.04 2ibi s LEU 304 CO 0.68 -0.57 1.07 -1.00 -1.32 0.00 0.00 176.35 175.21 2ibi s HIS 305 N -1.21 3.59 0.92 5.38 3.76 -1.24 -5.06 115.29 121.43 2ibi s HIS 305 Ca 0.51 1.56 -0.10 0.00 -0.15 0.00 0.00 55.06 56.88 2ibi s HIS 305 Cb -0.37 -3.24 0.14 0.00 1.11 0.00 0.00 32.58 30.22 2ibi s HIS 305 CO 0.48 -0.52 1.11 0.72 -0.85 0.00 0.00 174.74 175.68 2ibi n HIS 306 N 3.53 0.73 0.00 1.40 8.25 -1.26 -4.92 115.22 122.94 2ibi n HIS 306 Ca 0.06 0.39 0.00 0.00 -0.26 0.00 0.00 57.72 57.91 2ibi n HIS 306 Cb 0.48 -1.99 0.00 0.00 1.12 0.00 0.00 29.99 29.61 2ibi n HIS 306 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ibi n GLY 307 N 0.35 -0.34 3.61 -1.41 0.00 -1.26 -4.88 105.19 101.26 2ibi n GLY 307 Ca 0.12 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 2ibi n GLY 307 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ibi s SER 308 N -1.66 6.10 0.29 1.61 0.15 -1.26 -4.99 113.70 113.96 2ibi s SER 308 Ca 0.00 1.50 0.11 0.00 0.70 0.00 0.00 55.95 58.25 2ibi s SER 308 Cb 0.00 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.73 2ibi s SER 308 CO 0.00 -1.50 -0.10 0.20 1.20 0.00 0.00 173.24 173.04 2ibi s ASN 309 N 5.31 3.95 0.13 5.45 0.01 -1.26 -5.05 114.94 123.47 2ibi s ASN 309 Ca 0.77 -0.95 0.15 0.00 -0.71 0.00 0.00 52.86 52.13 2ibi s ASN 309 Cb -0.24 -0.48 -0.09 0.00 0.41 0.00 0.00 41.25 40.85 2ibi s ASN 309 CO 0.32 -0.05 1.03 0.00 -1.51 0.00 0.00 177.10 176.90 2ibi h ALA 310 N 2.06 0.64 0.00 0.60 0.00 -2.03 -3.39 119.26 117.15 2ibi h ALA 310 Ca -0.42 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 53.73 2ibi h ALA 310 Cb 1.25 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2ibi h ALA 310 CO 0.62 0.88 -0.01 0.72 0.00 0.00 0.00 179.25 181.46 2ibi n HIS 311 N -3.03 0.00 -0.19 0.00 8.25 -1.26 -4.55 115.22 114.44 2ibi n HIS 311 Ca -0.06 -0.67 0.15 0.00 -0.26 0.00 0.00 57.72 56.88 2ibi n HIS 311 Cb 0.82 -0.09 0.48 0.00 1.12 0.00 0.00 29.99 32.33 2ibi n HIS 311 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2ibi h THR 312 N 0.26 0.80 0.00 1.59 2.02 -1.97 -2.22 112.91 113.39 2ibi h THR 312 Ca 0.00 -0.16 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 2ibi h THR 312 Cb 0.73 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2ibi h THR 312 CO 0.00 0.09 -0.26 0.00 0.37 0.00 0.00 175.52 175.71 2ibi h ALA 313 N 1.63 1.28 0.19 6.16 0.00 -1.90 -3.06 119.26 123.56 2ibi h ALA 313 Ca 0.39 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2ibi h ALA 313 Cb 0.84 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2ibi h ALA 313 CO -0.14 0.33 -0.13 1.25 0.00 0.00 0.00 179.25 180.56 2ibi h LEU 314 N 0.00 -0.32 -0.77 0.00 5.85 -1.72 0.13 115.31 118.48 2ibi h LEU 314 Ca -0.00 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 2ibi h LEU 314 Cb 0.57 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 2ibi h LEU 314 CO 0.03 -0.20 -0.21 0.58 -0.34 0.00 0.00 178.44 178.30 2ibi h VAL 315 N -0.31 1.27 -0.22 1.05 2.07 -1.67 -0.73 116.25 117.70 2ibi h VAL 315 Ca -0.01 -1.29 -0.16 0.00 0.82 0.00 0.00 66.70 66.06 2ibi h VAL 315 Cb 0.27 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2ibi h VAL 315 CO 0.01 0.43 -0.47 -0.33 0.02 0.00 0.00 177.57 177.22 2ibi h GLU 316 N 0.62 0.72 -0.33 1.57 5.08 -1.45 -1.58 114.58 119.20 2ibi h GLU 316 Ca 0.09 -0.47 -0.14 0.00 -1.00 0.00 0.00 59.36 57.84 2ibi h GLU 316 Cb 0.69 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2ibi h GLU 316 CO 0.05 1.09 -0.37 0.93 -1.00 0.00 0.00 179.01 179.72 2ibi h GLU 317 N 0.43 0.77 0.06 2.33 4.39 -0.68 -1.47 114.58 120.41 2ibi h GLU 317 Ca 0.00 -0.39 -0.00 0.00 0.34 0.00 0.00 59.36 59.31 2ibi h GLU 317 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 2ibi h GLU 317 CO 0.10 1.01 -0.03 0.35 -1.16 0.00 0.00 179.01 179.29 2ibi h PHE 318 N 0.64 -0.07 -0.46 4.33 3.57 -1.17 -2.13 116.94 121.65 2ibi h PHE 318 Ca 0.06 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 2ibi h PHE 318 Cb 0.91 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 2ibi h PHE 318 CO 0.05 0.03 0.27 0.00 -2.23 0.00 0.00 178.31 176.43 2ibi h ALA 319 N 0.78 1.62 -0.07 2.41 0.00 -1.23 -1.99 119.26 120.78 2ibi h ALA 319 Ca -0.01 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.60 2ibi h ALA 319 Cb 0.13 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.75 2ibi h ALA 319 CO 0.01 0.33 -0.92 -0.22 0.00 0.00 0.00 179.25 178.46 2ibi h LYS 320 N 0.63 0.75 -0.34 0.00 3.64 -1.16 -0.98 116.57 119.11 2ibi h LYS 320 Ca 0.17 -0.71 0.07 0.00 -1.27 0.00 0.00 60.65 58.91 2ibi h LYS 320 Cb -0.02 0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 31.91 2ibi h LYS 320 CO -0.03 1.30 -0.14 -0.07 -2.27 0.00 0.00 179.45 178.24 2ibi h LEU 321 N 0.46 -0.47 -0.39 5.20 3.38 -1.10 0.10 115.31 122.49 2ibi h LEU 321 Ca -0.09 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2ibi h LEU 321 Cb 1.56 0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.57 2ibi h LEU 321 CO 0.18 -0.17 0.20 0.40 0.09 0.00 0.00 178.44 179.14 2ibi h ILE 322 N -0.08 1.16 -0.52 1.22 1.08 -1.28 -0.27 117.51 118.82 2ibi h ILE 322 Ca 0.17 -0.46 0.04 0.00 -0.39 0.00 0.00 64.86 64.22 2ibi h ILE 322 Cb 0.33 0.75 -0.04 0.00 -3.07 0.00 0.00 36.82 34.79 2ibi h ILE 322 CO -0.39 0.17 0.28 1.56 -0.69 0.00 0.00 178.15 179.08 2ibi h GLN 323 N 0.49 0.52 -0.42 2.37 4.20 -1.00 -1.13 115.11 120.15 2ibi h GLN 323 Ca 0.13 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 2ibi h GLN 323 Cb 0.10 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 2ibi h GLN 323 CO -0.02 0.35 0.21 1.15 -0.67 0.00 0.00 178.83 179.85 2ibi h THR 324 N 0.54 1.17 -0.55 -0.54 2.02 -0.54 -2.08 112.91 112.94 2ibi h THR 324 Ca 0.23 -0.47 0.06 0.00 0.77 0.00 0.00 66.41 67.00 2ibi h THR 324 Cb 0.11 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 2ibi h THR 324 CO -0.15 0.18 0.25 0.40 0.37 0.00 0.00 175.52 176.58 2ibi h ILE 325 N 0.53 0.89 -0.02 3.11 2.04 -0.73 -2.63 117.51 120.70 2ibi h ILE 325 Ca 0.14 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2ibi h ILE 325 Cb 0.10 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 2ibi h ILE 325 CO -0.02 0.09 0.00 0.79 0.00 0.00 0.00 178.15 179.01 2ibi n TRP 326 N -4.92 0.02 -0.03 1.37 7.02 -0.46 -3.24 117.44 117.21 2ibi n TRP 326 Ca 0.06 -0.01 0.01 0.00 -1.02 0.00 0.00 57.50 56.54 2ibi n TRP 326 Cb 0.18 0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.10 2ibi n TRP 326 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2ibi n THR 327 N -0.21 0.98 -2.78 -0.99 -2.24 -0.80 -4.54 114.28 103.69 2ibi n THR 327 Ca 0.20 -0.99 -0.21 0.00 -2.27 0.00 0.00 64.05 60.78 2ibi n THR 327 Cb 0.27 0.51 0.03 0.00 -2.10 0.00 0.00 70.33 69.03 2ibi n THR 327 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2ibi s SER 328 N -0.98 5.48 0.39 3.42 1.04 -1.01 -5.05 113.70 116.98 2ibi s SER 328 Ca 0.04 0.05 -0.10 0.00 0.48 0.00 0.00 55.95 56.42 2ibi s SER 328 Cb 0.02 -1.06 -0.06 0.00 0.10 0.00 0.00 66.02 65.02 2ibi s SER 328 CO 0.03 -0.97 0.74 -0.44 0.98 0.00 0.00 173.24 173.58 2ibi s SER 329 N -4.35 6.51 0.64 7.02 0.01 -1.26 -4.75 113.70 117.52 2ibi s SER 329 Ca 0.54 1.08 0.26 0.00 1.31 0.00 0.00 55.95 59.14 2ibi s SER 329 Cb -0.10 -2.30 1.37 0.00 0.21 0.00 0.00 66.02 65.20 2ibi s SER 329 CO 0.38 -0.38 1.78 -0.65 0.41 0.00 0.00 173.24 174.78 2ibi h PRO 330 N 1.30 0.00 0.00 12.44 0.11 -1.84 0.18 132.00 144.19 2ibi h PRO 330 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 2ibi h PRO 330 Cb 1.19 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.19 2ibi h PRO 330 CO 0.64 0.00 -0.53 0.09 -0.21 0.00 0.00 178.00 177.99 2ibi n ASN 331 N -3.06 1.13 -4.73 -2.05 3.02 -1.26 -4.50 115.26 103.80 2ibi n ASN 331 Ca 0.02 -2.61 -0.35 0.00 -0.03 0.00 0.00 54.58 51.60 2ibi n ASN 331 Cb 0.57 -0.34 0.08 0.00 -0.61 0.00 0.00 39.78 39.48 2ibi n ASN 331 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2ibi s ASP 332 N -2.12 4.45 -0.19 6.41 1.01 0.05 -4.84 116.67 121.43 2ibi s ASP 332 Ca 0.24 2.46 -0.02 0.00 0.71 0.00 0.00 52.55 55.94 2ibi s ASP 332 Cb 0.24 -2.60 -0.00 0.00 1.01 0.00 0.00 42.92 41.57 2ibi s ASP 332 CO -0.05 -2.10 -0.10 -0.69 0.21 0.00 0.00 175.17 172.44 2ibi s VAL 333 N -1.73 2.91 -0.01 -1.27 1.01 -1.26 -1.56 120.40 118.49 2ibi s VAL 333 Ca 0.78 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 62.02 2ibi s VAL 333 Cb -0.32 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 2ibi s VAL 333 CO 0.42 0.47 0.28 -0.69 0.00 0.00 0.00 175.10 175.58 2ibi s VAL 334 N 1.26 5.28 -0.38 2.92 1.01 0.14 -4.90 120.40 125.73 2ibi s VAL 334 Ca 0.03 0.31 -0.12 0.00 0.00 0.00 0.00 61.98 62.20 2ibi s VAL 334 Cb -0.14 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.71 2ibi s VAL 334 CO -0.05 0.45 0.23 -0.55 0.00 0.00 0.00 175.10 175.17 2ibi s SER 335 N -1.47 5.80 -0.05 3.32 0.15 -1.26 -0.65 113.70 119.55 2ibi s SER 335 Ca 0.25 -1.01 0.02 0.00 0.70 0.00 0.00 55.95 55.90 2ibi s SER 335 Cb -0.14 -2.05 0.12 0.00 -1.71 0.00 0.00 66.02 62.24 2ibi s SER 335 CO 0.13 -0.41 0.86 -0.81 1.20 0.00 0.00 173.24 174.21 2ibi n PRO 336 N 5.02 1.45 -0.14 5.44 -0.04 -1.26 -4.50 135.00 140.97 2ibi n PRO 336 Ca -0.12 -0.48 0.00 0.00 -0.04 0.00 0.00 63.50 62.87 2ibi n PRO 336 Cb 0.46 -1.45 0.27 0.00 -0.04 0.00 0.00 33.50 32.73 2ibi n PRO 336 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ibi h SER 337 N 0.44 0.74 0.71 3.54 4.64 -1.93 -0.76 113.55 120.93 2ibi h SER 337 Ca 0.04 -0.06 -0.17 0.00 -0.47 0.00 0.00 61.79 61.13 2ibi h SER 337 Cb 0.94 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.82 2ibi h SER 337 CO 0.11 0.61 -0.80 -0.08 -0.87 0.00 0.00 176.83 175.80 2ibi h GLU 338 N 0.84 0.06 -0.31 4.77 4.57 -1.99 -2.48 114.58 120.05 2ibi h GLU 338 Ca 0.21 -0.07 -0.17 0.00 -1.18 0.00 0.00 59.36 58.16 2ibi h GLU 338 Cb 0.04 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.64 2ibi h GLU 338 CO -0.03 0.83 -0.45 0.35 -1.18 0.00 0.00 179.01 178.52 2ibi h PHE 339 N 0.04 1.05 -0.50 0.92 3.57 -1.68 -2.97 116.94 117.36 2ibi h PHE 339 Ca -0.02 -0.35 0.04 0.00 3.53 0.00 0.00 57.97 61.17 2ibi h PHE 339 Cb 1.41 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.90 2ibi h PHE 339 CO 0.01 1.17 0.26 -0.22 -2.23 0.00 0.00 178.31 177.30 2ibi h LYS 340 N 0.63 0.50 -0.93 1.11 3.64 -1.04 -0.10 116.57 120.38 2ibi h LYS 340 Ca 0.03 -0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.50 2ibi h LYS 340 Cb 1.05 -0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 32.68 2ibi h LYS 340 CO 0.10 0.33 0.55 1.15 -2.27 0.00 0.00 179.45 179.32 2ibi h THR 341 N 0.52 0.89 -0.25 1.00 2.02 -1.45 -0.74 112.91 114.90 2ibi h THR 341 Ca 0.22 -0.30 -0.07 0.00 0.77 0.00 0.00 66.41 67.03 2ibi h THR 341 Cb 0.11 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.45 2ibi h THR 341 CO -0.14 0.16 -0.12 1.56 0.37 0.00 0.00 175.52 177.35 2ibi h GLN 342 N 0.88 0.52 0.00 6.66 1.08 -1.10 -2.82 115.11 120.32 2ibi h GLN 342 Ca 0.46 -0.23 -0.08 0.00 -1.45 0.00 0.00 58.65 57.35 2ibi h GLN 342 Cb 0.48 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 2ibi h GLN 342 CO -0.27 0.78 -0.39 0.97 -0.95 0.00 0.00 178.83 178.96 2ibi h ILE 343 N 0.25 1.19 0.00 2.54 6.09 -0.62 -2.36 117.51 124.59 2ibi h ILE 343 Ca 0.06 -1.39 -0.05 0.00 -1.37 0.00 0.00 64.86 62.11 2ibi h ILE 343 Cb 0.62 1.77 -0.01 0.00 0.47 0.00 0.00 36.82 39.67 2ibi h ILE 343 CO 0.04 0.38 -0.23 0.06 -3.07 0.00 0.00 178.15 175.33 2ibi h GLN 344 N 0.00 0.00 -0.25 2.19 3.07 -1.15 0.71 115.11 119.68 2ibi h GLN 344 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.62 2ibi h GLN 344 Cb 0.74 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.29 2ibi h GLN 344 CO 0.05 0.23 -0.28 0.00 0.09 0.00 0.00 178.83 178.92 2ibi h ARG 345 N 0.00 0.64 0.02 0.06 -0.00 -1.23 -2.28 114.38 111.59 2ibi h ARG 345 Ca -0.00 -0.35 -0.00 0.00 -0.50 0.00 0.00 59.98 59.13 2ibi h ARG 345 Cb 1.14 0.02 0.00 0.00 0.00 0.00 0.00 29.97 31.12 2ibi h ARG 345 CO 0.03 0.95 -0.01 -0.92 0.00 0.00 0.00 179.97 180.02 2ibi h TYR 346 N 0.36 -0.02 -3.38 3.04 3.20 -1.07 -3.38 116.97 115.72 2ibi h TYR 346 Ca 0.04 -0.00 -0.66 0.00 3.14 0.00 0.00 58.73 61.25 2ibi h TYR 346 Cb 0.85 0.01 -0.39 0.00 1.54 0.00 0.00 36.73 38.74 2ibi h TYR 346 CO 0.08 0.44 -0.51 0.00 -1.64 0.00 0.00 178.16 176.53 2ibi s ALA 347 N -4.31 3.52 0.58 1.82 0.00 0.25 -4.97 121.76 118.65 2ibi s ALA 347 Ca -0.16 -3.40 0.31 0.00 0.00 0.00 0.00 51.96 48.71 2ibi s ALA 347 Cb 0.02 -2.35 1.34 0.00 0.00 0.00 0.00 23.12 22.13 2ibi s ALA 347 CO 0.66 -2.07 1.68 -1.35 0.00 0.00 0.00 175.76 174.69 2ibi h PRO 348 N 6.45 0.00 0.00 0.00 0.11 -1.59 -0.99 132.00 135.97 2ibi h PRO 348 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2ibi h PRO 348 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2ibi h PRO 348 CO 0.71 0.00 0.00 2.89 -0.21 0.00 0.00 178.00 181.39 2ibi n ARG 349 N -3.67 0.13 -0.16 1.05 1.85 -1.26 -1.03 116.66 113.56 2ibi n ARG 349 Ca 0.18 0.63 0.12 0.00 -1.00 0.00 0.00 57.85 57.78 2ibi n ARG 349 Cb 1.12 -1.92 0.20 0.00 -1.05 0.00 0.00 32.46 30.80 2ibi n ARG 349 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2ibi n PHE 350 N -2.19 0.43 -1.72 2.89 3.72 -0.38 -4.92 117.46 115.30 2ibi n PHE 350 Ca -0.01 -0.22 -0.43 0.00 -0.05 0.00 0.00 57.45 56.74 2ibi n PHE 350 Cb 0.03 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.56 2ibi n PHE 350 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2ibi n VAL 351 N 1.46 1.51 -3.13 -4.37 0.31 -0.20 -4.78 118.33 109.14 2ibi n VAL 351 Ca 0.18 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2ibi n VAL 351 Cb 0.60 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 2ibi n VAL 351 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ibi n GLY 352 N 1.38 -1.50 2.60 2.92 0.00 -1.26 -4.70 105.19 104.62 2ibi n GLY 352 Ca 0.07 -1.45 -0.13 0.00 0.00 0.00 0.00 46.02 44.51 2ibi n GLY 352 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ibi n TYR 353 N 0.00 1.81 -3.41 1.61 4.01 -1.26 -5.06 117.16 114.85 2ibi n TYR 353 Ca 0.00 -2.69 -0.29 0.00 -0.16 0.00 0.00 57.90 54.76 2ibi n TYR 353 Cb 0.00 -0.28 -0.04 0.00 -0.31 0.00 0.00 39.34 38.71 2ibi n TYR 353 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 2ibi s ASN 354 N -3.39 6.47 0.33 7.72 0.01 -1.26 -4.52 114.94 120.30 2ibi s ASN 354 Ca 0.34 0.71 -0.28 0.00 -0.71 0.00 0.00 52.86 52.92 2ibi s ASN 354 Cb 0.42 -2.14 -0.09 0.00 0.41 0.00 0.00 41.25 39.84 2ibi s ASN 354 CO -0.03 -0.14 1.14 -1.10 -1.51 0.00 0.00 177.10 175.46 2ibi s GLN 355 N -3.34 4.41 0.22 -0.60 -0.21 -1.26 -4.88 119.66 113.99 2ibi s GLN 355 Ca 0.44 1.83 0.00 0.00 0.02 0.00 0.00 55.36 57.65 2ibi s GLN 355 Cb -0.11 -2.97 -0.05 0.00 1.00 0.00 0.00 33.01 30.88 2ibi s GLN 355 CO 0.28 -0.01 0.10 -0.65 -2.12 0.00 0.00 175.29 172.90 2ibi s GLN 356 N -1.82 1.28 0.19 2.91 1.11 -1.26 -5.06 119.66 117.01 2ibi s GLN 356 Ca 0.50 -1.68 -0.29 0.00 0.01 0.00 0.00 55.36 53.90 2ibi s GLN 356 Cb -0.31 -0.02 -0.08 0.00 -1.01 0.00 0.00 33.01 31.58 2ibi s GLN 356 CO 0.40 -0.32 0.92 0.34 0.01 0.00 0.00 175.29 176.64 2ibi s ASP 357 N -3.23 7.57 0.22 5.90 2.15 -1.26 -4.80 116.67 123.21 2ibi s ASP 357 Ca 0.37 1.86 0.15 0.00 0.43 0.00 0.00 52.55 55.35 2ibi s ASP 357 Cb 0.07 -2.59 -0.00 0.00 -0.30 0.00 0.00 42.92 40.10 2ibi s ASP 357 CO 0.12 0.11 1.28 0.00 -0.17 0.00 0.00 175.17 176.51 2ibi h ALA 358 N 4.57 0.64 -0.18 3.66 0.00 -1.99 -2.31 119.26 123.64 2ibi h ALA 358 Ca -0.45 -0.58 -0.11 0.00 0.00 0.00 0.00 54.91 53.77 2ibi h ALA 358 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2ibi h ALA 358 CO 0.69 0.73 -0.32 0.37 0.00 0.00 0.00 179.25 180.72 2ibi h GLN 359 N 0.00 0.54 -0.25 0.00 -0.00 -1.94 0.19 115.11 113.66 2ibi h GLN 359 Ca -0.04 -0.34 0.05 0.00 -0.00 0.00 0.00 58.65 58.32 2ibi h GLN 359 Cb 1.46 0.04 -0.05 0.00 0.00 0.00 0.00 27.48 28.93 2ibi h GLN 359 CO 0.06 0.95 -0.07 1.49 0.00 0.00 0.00 178.83 181.26 2ibi h GLU 360 N 0.20 -0.01 -0.40 1.69 4.81 -1.98 -0.77 114.58 118.11 2ibi h GLU 360 Ca 0.01 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 2ibi h GLU 360 Cb 0.91 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.24 2ibi h GLU 360 CO 0.07 -0.01 0.04 0.35 -0.73 0.00 0.00 179.01 178.73 2ibi h PHE 361 N -0.01 0.05 -0.97 0.92 3.57 -1.37 -1.71 116.94 117.41 2ibi h PHE 361 Ca 0.12 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.66 2ibi h PHE 361 Cb 0.20 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.92 2ibi h PHE 361 CO -0.26 -0.04 0.64 1.25 -2.23 0.00 0.00 178.31 177.68 2ibi h LEU 362 N 0.15 1.11 -0.07 0.59 5.85 -0.36 -0.21 115.31 122.37 2ibi h LEU 362 Ca 0.19 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2ibi h LEU 362 Cb 0.26 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 2ibi h LEU 362 CO -0.29 0.80 0.01 0.03 -0.34 0.00 0.00 178.44 178.65 2ibi h ARG 363 N 1.31 0.12 -0.64 1.25 2.47 -0.77 -0.53 114.38 117.58 2ibi h ARG 363 Ca 0.36 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 59.02 2ibi h ARG 363 Cb -0.13 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.15 2ibi h ARG 363 CO -0.08 0.34 0.29 0.74 0.56 0.00 0.00 179.97 181.82 2ibi h PHE 364 N -0.12 0.95 -0.01 3.04 0.04 -1.03 -1.83 116.94 117.98 2ibi h PHE 364 Ca 0.02 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 2ibi h PHE 364 Cb 0.27 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 38.14 2ibi h PHE 364 CO 0.01 0.72 0.00 1.25 -0.60 0.00 0.00 178.31 179.70 2ibi h LEU 365 N 0.89 0.01 -1.03 1.54 5.85 -0.96 -1.49 115.31 120.12 2ibi h LEU 365 Ca 0.22 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 2ibi h LEU 365 Cb 0.15 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 2ibi h LEU 365 CO -0.02 0.29 0.16 -0.07 -0.34 0.00 0.00 178.44 178.45 2ibi h LEU 366 N -0.27 0.79 -0.42 2.25 3.38 -1.08 -0.45 115.31 119.52 2ibi h LEU 366 Ca 0.00 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.89 2ibi h LEU 366 Cb 0.28 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 2ibi h LEU 366 CO 0.00 0.76 0.16 -0.78 0.09 0.00 0.00 178.44 178.67 2ibi h ASP 367 N 0.83 0.18 -0.60 -0.43 3.58 -1.25 0.14 116.42 118.86 2ibi h ASP 367 Ca 0.19 0.04 -0.05 0.00 0.42 0.00 0.00 57.03 57.63 2ibi h ASP 367 Cb 0.27 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.32 2ibi h ASP 367 CO -0.01 0.14 0.19 1.23 -2.88 0.00 0.00 179.24 177.91 2ibi h GLY 368 N 0.33 1.01 0.95 -0.78 0.00 -0.63 -0.83 103.07 103.11 2ibi h GLY 368 Ca 0.19 -0.60 -0.12 0.00 0.00 0.00 0.00 47.33 46.80 2ibi h GLY 368 CO -0.19 0.56 -0.30 1.41 0.00 0.00 0.00 176.54 178.02 2ibi h LEU 369 N 0.86 0.71 -0.30 3.11 3.38 -0.88 -2.99 115.31 119.20 2ibi h LEU 369 Ca 0.19 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2ibi h LEU 369 Cb 0.29 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2ibi h LEU 369 CO -0.01 1.06 0.15 -0.74 0.09 0.00 0.00 178.44 178.99 2ibi h HIS 370 N 0.38 0.43 -0.39 1.13 2.76 -0.67 -2.72 115.15 116.07 2ibi h HIS 370 Ca 0.03 -0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.24 2ibi h HIS 370 Cb 0.88 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.68 2ibi h HIS 370 CO 0.08 0.37 0.27 -0.91 -1.30 0.00 0.00 177.93 176.43 2ibi h ASN 371 N 0.36 0.27 1.21 3.26 2.35 -1.16 -2.22 115.58 119.64 2ibi h ASN 371 Ca 0.10 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2ibi h ASN 371 Cb 0.09 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.41 2ibi h ASN 371 CO -0.01 0.18 -0.38 -0.33 -1.65 0.00 0.00 177.43 175.23 2ibi h GLU 372 N 0.31 0.00 -0.01 0.81 4.39 -1.33 -3.29 114.58 115.46 2ibi h GLU 372 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 2ibi h GLU 372 Cb 0.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2ibi h GLU 372 CO -0.04 0.00 0.00 1.33 -1.16 0.00 0.00 179.01 179.14 2ibi n VAL 373 N -2.33 1.67 -1.87 3.13 0.24 -1.12 -3.73 118.33 114.32 2ibi n VAL 373 Ca 0.04 -1.94 -0.42 0.00 -2.04 0.00 0.00 64.34 59.98 2ibi n VAL 373 Cb 0.46 -0.05 -0.03 0.00 -1.47 0.00 0.00 33.84 32.75 2ibi n VAL 373 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2ibi s ASN 374 N -2.38 6.57 0.43 -1.34 2.47 -0.85 -4.55 114.94 115.28 2ibi s ASN 374 Ca 0.24 2.48 0.29 0.00 0.42 0.00 0.00 52.86 56.29 2ibi s ASN 374 Cb 0.21 -2.55 1.51 0.00 -1.45 0.00 0.00 41.25 38.97 2ibi s ASN 374 CO 0.03 -0.95 1.89 0.03 -3.72 0.00 0.00 177.10 174.37 2ibi h ARG 375 N 9.33 0.00 -5.37 0.43 3.08 0.45 -3.38 114.38 118.91 2ibi h ARG 375 Ca -0.44 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 58.98 2ibi h ARG 375 Cb 1.20 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.11 2ibi h ARG 375 CO 0.94 0.00 0.06 0.08 -1.07 0.00 0.00 179.97 179.98 2ibi s VAL 376 N -3.69 4.95 -0.15 2.04 1.01 -1.26 -4.94 120.40 118.36 2ibi s VAL 376 Ca -0.02 0.47 0.13 0.00 0.00 0.00 0.00 61.98 62.57 2ibi s VAL 376 Cb 0.09 -4.03 -0.24 0.00 0.00 0.00 0.00 36.38 32.20 2ibi s VAL 376 CO 0.31 -0.27 0.24 0.35 0.00 0.00 0.00 175.10 175.73 2ibi n THR 377 N 5.52 1.49 -3.95 3.92 -2.24 -1.26 -4.73 114.28 113.03 2ibi n THR 377 Ca -0.03 -0.80 -0.30 0.00 -2.27 0.00 0.00 64.05 60.66 2ibi n THR 377 Cb 0.49 -0.82 -0.16 0.00 -2.10 0.00 0.00 70.33 67.74 2ibi n THR 377 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2ibi s LEU 378 N -5.88 1.99 0.03 3.22 1.98 -1.26 -5.13 118.68 113.64 2ibi s LEU 378 Ca -0.12 -0.79 -0.30 0.00 -2.89 0.00 0.00 54.13 50.03 2ibi s LEU 378 Cb 0.07 -1.10 -0.05 0.00 0.66 0.00 0.00 46.19 45.77 2ibi s LEU 378 CO 0.80 -0.16 1.27 -0.13 -1.89 0.00 0.00 176.35 176.24 2ibi s ARG 379 N 1.50 4.37 0.40 1.98 0.52 -1.26 -5.00 118.95 121.45 2ibi s ARG 379 Ca -0.00 1.84 -0.25 0.00 -0.52 0.00 0.00 55.73 56.79 2ibi s ARG 379 Cb -0.16 -3.43 -0.08 0.00 0.52 0.00 0.00 34.95 31.80 2ibi s ARG 379 CO -0.08 -0.39 1.13 -1.25 0.02 0.00 0.00 175.30 174.73 2ibi s PRO 380 N 1.60 4.07 -0.28 3.54 0.04 -1.26 -5.10 135.00 137.61 2ibi s PRO 380 Ca 0.60 1.74 -0.11 0.00 0.04 0.00 0.00 61.00 63.27 2ibi s PRO 380 Cb -0.30 -2.63 -0.05 0.00 0.04 0.00 0.00 34.50 31.57 2ibi s PRO 380 CO 0.27 -0.28 0.19 0.21 0.04 0.00 0.00 177.00 177.43 2ibi s LYS 381 N -2.37 3.95 -0.11 4.56 2.47 -1.26 -4.94 119.74 122.05 2ibi s LYS 381 Ca 0.58 -0.31 -0.06 0.00 -1.56 0.00 0.00 55.97 54.61 2ibi s LYS 381 Cb -0.28 -3.66 0.04 0.00 -1.46 0.00 0.00 37.83 32.48 2ibi s LYS 381 CO 0.35 -0.18 0.26 1.21 0.16 0.00 0.00 175.35 177.16 2ibi s ASN 383 N 1.74 -0.29 -1.11 1.43 2.47 -1.26 -5.20 114.94 112.72 2ibi s ASN 383 Ca 0.07 0.56 -0.07 0.00 0.42 0.00 0.00 52.86 53.84 2ibi s ASN 383 Cb -0.16 0.46 0.29 0.00 -1.45 0.00 0.00 41.25 40.39 2ibi s ASN 383 CO 0.11 -0.16 1.29 -0.81 -3.72 0.00 0.00 177.10 173.81 2ibi n PRO 384 N 4.04 3.93 -1.66 0.43 -0.04 -1.26 -5.07 135.00 135.37 2ibi n PRO 384 Ca -0.23 -4.47 -0.29 0.00 -0.04 0.00 0.00 63.50 58.47 2ibi n PRO 384 Cb 0.54 -2.55 0.16 0.00 -0.04 0.00 0.00 33.50 31.60 2ibi n PRO 384 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2ibi s GLU 385 N -1.81 0.81 -0.22 0.54 -1.05 -1.26 -5.03 118.70 110.67 2ibi s GLU 385 Ca 0.31 -0.00 -0.17 0.00 -0.15 0.00 0.00 54.97 54.96 2ibi s GLU 385 Cb -0.03 -1.83 -0.03 0.00 -0.44 0.00 0.00 34.13 31.79 2ibi s GLU 385 CO -0.00 -2.37 0.47 -0.80 0.95 0.00 0.00 175.26 173.51 2ibi s ASN 386 N -4.37 6.46 -0.28 0.83 0.01 -1.26 -4.98 114.94 111.35 2ibi s ASN 386 Ca 0.67 0.55 0.09 0.00 -0.71 0.00 0.00 52.86 53.47 2ibi s ASN 386 Cb -0.10 -2.26 0.49 0.00 0.41 0.00 0.00 41.25 39.79 2ibi s ASN 386 CO 0.53 -0.17 1.42 0.18 -1.51 0.00 0.00 177.10 177.55 2ibi n LEU 387 N 4.93 3.89 0.29 0.60 4.77 -1.26 -4.73 117.00 125.49 2ibi n LEU 387 Ca -0.06 -3.80 0.19 0.00 -0.03 0.00 0.00 56.01 52.31 2ibi n LEU 387 Cb 0.50 -0.62 0.89 0.00 -2.33 0.00 0.00 43.42 41.87 2ibi n LEU 387 CO 0.40 1.28 1.06 0.44 -1.33 0.00 0.00 177.39 179.25 2ibi h ASP 388 N 1.01 0.00 0.63 -1.43 5.19 -2.00 -1.00 116.42 118.81 2ibi h ASP 388 Ca 0.18 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 2ibi h ASP 388 Cb 1.55 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.06 2ibi h ASP 388 CO 0.32 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.44 2ibi n HIS 389 N -3.02 0.00 -4.24 4.55 1.44 -1.26 -4.86 115.22 107.84 2ibi n HIS 389 Ca -0.01 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.36 2ibi n HIS 389 Cb 0.20 -0.35 -0.08 0.00 0.12 0.00 0.00 29.99 29.88 2ibi n HIS 389 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2ibi s LEU 390 N -2.70 3.75 0.23 2.39 1.43 -0.38 -5.07 118.68 118.33 2ibi s LEU 390 Ca 0.22 0.18 -0.31 0.00 -1.03 0.00 0.00 54.13 53.18 2ibi s LEU 390 Cb 0.18 -1.96 -0.14 0.00 0.03 0.00 0.00 46.19 44.30 2ibi s LEU 390 CO 0.44 0.35 1.35 -2.65 0.23 0.00 0.00 176.35 176.07 2ibi n PRO 391 N 1.85 1.88 0.00 1.29 -0.02 -1.26 -4.75 135.00 133.99 2ibi n PRO 391 Ca -0.17 0.67 0.08 0.00 -2.02 0.00 0.00 63.50 62.06 2ibi n PRO 391 Cb 0.54 -2.29 0.39 0.00 -0.02 0.00 0.00 33.50 32.11 2ibi n PRO 391 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2ibi n ASP 392 N 2.05 0.00 0.11 2.55 3.85 -1.26 -0.34 116.55 123.50 2ibi n ASP 392 Ca 0.12 0.36 -0.04 0.00 -0.71 0.00 0.00 54.79 54.52 2ibi n ASP 392 Cb 0.31 -0.44 0.12 0.00 -1.35 0.00 0.00 41.12 39.76 2ibi n ASP 392 CO 0.00 0.00 0.00 -2.24 -1.01 0.00 0.00 177.20 173.95 2ibi h ASP 393 N 0.00 0.14 -0.25 -1.12 3.04 -1.99 0.49 116.42 116.73 2ibi h ASP 393 Ca 0.00 -0.09 -0.16 0.00 -3.24 0.00 0.00 57.03 53.54 2ibi h ASP 393 Cb 0.26 -0.04 0.00 0.00 -1.04 0.00 0.00 39.33 38.51 2ibi h ASP 393 CO 0.00 0.76 -0.49 -0.08 -2.04 0.00 0.00 179.24 177.39 2ibi h GLU 394 N 0.08 0.77 -0.11 4.15 4.57 -1.04 -2.68 114.58 120.33 2ibi h GLU 394 Ca -0.01 -0.50 -0.11 0.00 -1.18 0.00 0.00 59.36 57.56 2ibi h GLU 394 Cb 1.18 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.82 2ibi h GLU 394 CO 0.09 1.12 -0.42 1.57 -1.18 0.00 0.00 179.01 180.19 2ibi h LYS 395 N 0.51 0.25 -0.42 1.92 2.10 -1.21 -1.19 116.57 118.53 2ibi h LYS 395 Ca 0.01 -0.12 0.09 0.00 -2.00 0.00 0.00 60.65 58.63 2ibi h LYS 395 Cb 1.10 -0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.34 2ibi h LYS 395 CO 0.11 0.63 -0.15 0.78 -2.00 0.00 0.00 179.45 178.82 2ibi h GLY 396 N 1.23 0.21 1.03 0.07 0.00 -0.88 0.14 103.07 104.88 2ibi h GLY 396 Ca 0.02 0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 2ibi h GLY 396 CO 0.07 -0.18 0.36 3.21 0.00 0.00 0.00 176.54 180.00 2ibi h ARG 397 N -0.06 1.12 -0.45 4.80 3.08 -1.09 0.10 114.38 121.88 2ibi h ARG 397 Ca 0.20 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 2ibi h ARG 397 Cb 0.37 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 2ibi h ARG 397 CO -0.47 0.88 0.18 1.96 -1.07 0.00 0.00 179.97 181.46 2ibi h GLN 398 N 1.10 0.67 -0.35 0.04 1.08 -0.90 -0.52 115.11 116.24 2ibi h GLN 398 Ca 0.27 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.34 2ibi h GLN 398 Cb 0.13 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 2ibi h GLN 398 CO -0.03 0.61 0.18 0.52 -0.95 0.00 0.00 178.83 179.16 2ibi h MET 399 N 0.59 0.49 0.15 1.46 2.86 -0.21 -0.77 114.93 119.49 2ibi h MET 399 Ca 0.15 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.74 2ibi h MET 399 Cb 0.19 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.71 2ibi h MET 399 CO -0.01 0.43 -0.45 2.35 1.06 0.00 0.00 176.91 180.29 2ibi h TRP 400 N 0.43 -1.26 -0.32 -0.22 2.91 -0.68 0.53 115.95 117.34 2ibi h TRP 400 Ca 0.12 0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.22 2ibi h TRP 400 Cb 0.09 0.53 -0.02 0.00 -0.51 0.00 0.00 29.16 29.25 2ibi h TRP 400 CO -0.02 -0.54 0.22 0.07 -1.03 0.00 0.00 178.44 177.13 2ibi h ARG 401 N -0.70 0.21 -0.40 2.65 0.11 -1.04 1.00 114.38 116.21 2ibi h ARG 401 Ca 0.01 -0.01 -0.06 0.00 0.10 0.00 0.00 59.98 60.02 2ibi h ARG 401 Cb 0.71 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 31.73 2ibi h ARG 401 CO -0.24 0.14 0.03 0.87 0.10 0.00 0.00 179.97 180.88 2ibi h LYS 402 N 0.22 0.69 -0.61 0.08 1.57 -0.54 -2.47 116.57 115.50 2ibi h LYS 402 Ca 0.14 -0.20 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2ibi h LYS 402 Cb 0.28 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 2ibi h LYS 402 CO -0.03 0.76 0.37 -0.92 -0.57 0.00 0.00 179.45 179.06 2ibi h TYR 403 N 0.53 0.69 0.00 -1.35 3.20 -0.02 -3.12 116.97 116.89 2ibi h TYR 403 Ca 0.12 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 2ibi h TYR 403 Cb 0.43 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 2ibi h TYR 403 CO 0.03 0.38 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.80 2ibi h LEU 404 N 0.72 0.00 -0.25 2.82 3.38 -0.73 -0.02 115.31 121.23 2ibi h LEU 404 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2ibi h LEU 404 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2ibi h LEU 404 CO -0.12 0.06 -0.16 -1.84 0.09 0.00 0.00 178.44 176.47 2ibi n GLU 405 N -3.22 0.62 -0.09 1.13 0.28 -0.94 -3.94 120.64 114.47 2ibi n GLU 405 Ca -0.00 -0.25 -0.13 0.00 -0.16 0.00 0.00 57.16 56.62 2ibi n GLU 405 Cb 0.29 -1.49 -0.09 0.00 1.43 0.00 0.00 31.44 31.57 2ibi n GLU 405 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2ibi n ARG 406 N -0.97 0.57 -4.00 3.44 1.74 -0.62 -4.34 116.66 112.48 2ibi n ARG 406 Ca 0.13 0.10 -0.31 0.00 -0.77 0.00 0.00 57.85 57.00 2ibi n ARG 406 Cb 0.30 -1.38 -0.16 0.00 -1.02 0.00 0.00 32.46 30.21 2ibi n ARG 406 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2ibi s GLU 407 N -2.38 2.01 -0.39 5.56 0.41 -0.12 -4.81 118.70 118.99 2ibi s GLU 407 Ca -0.24 -0.99 0.05 0.00 -0.41 0.00 0.00 54.97 53.38 2ibi s GLU 407 Cb 0.06 -2.57 0.17 0.00 -1.78 0.00 0.00 34.13 30.01 2ibi s GLU 407 CO 0.45 -0.49 0.49 0.34 -0.49 0.00 0.00 175.26 175.56 2ibi s ASP 408 N 1.33 -0.04 0.24 -0.19 -1.08 -1.26 -4.25 116.67 111.42 2ibi s ASP 408 Ca -0.04 -1.27 0.01 0.00 -0.52 0.00 0.00 52.55 50.73 2ibi s ASP 408 Cb -0.18 1.17 -0.04 0.00 -1.46 0.00 0.00 42.92 42.42 2ibi s ASP 408 CO -0.07 -0.21 0.14 -0.94 0.52 0.00 0.00 175.17 174.60 2ibi s SER 409 N 1.57 0.73 0.50 -0.34 1.04 -1.26 0.11 113.70 116.04 2ibi s SER 409 Ca 0.17 -1.44 0.18 0.00 0.48 0.00 0.00 55.95 55.34 2ibi s SER 409 Cb -0.10 0.34 1.24 0.00 0.10 0.00 0.00 66.02 67.60 2ibi s SER 409 CO -0.04 -0.83 2.09 -0.09 0.98 0.00 0.00 173.24 175.34 2ibi h ARG 410 N 2.47 0.00 -0.28 4.02 9.65 -1.95 -0.33 114.38 127.96 2ibi h ARG 410 Ca -0.35 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.47 2ibi h ARG 410 Cb 1.25 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.82 2ibi h ARG 410 CO 0.54 0.09 -0.06 0.82 2.80 0.00 0.00 179.97 184.16 2ibi h ILE 411 N 0.00 1.28 -0.45 1.20 1.08 -1.94 -3.05 117.51 115.64 2ibi h ILE 411 Ca -0.00 -1.06 -0.03 0.00 -0.39 0.00 0.00 64.86 63.38 2ibi h ILE 411 Cb 0.17 1.41 -0.02 0.00 -3.07 0.00 0.00 36.82 35.31 2ibi h ILE 411 CO 0.01 0.34 0.17 1.23 -0.69 0.00 0.00 178.15 179.21 2ibi h GLY 412 N 0.29 0.72 -0.86 5.37 0.00 -1.80 -1.55 103.07 105.24 2ibi h GLY 412 Ca 0.07 -0.40 0.38 0.00 0.00 0.00 0.00 47.33 47.39 2ibi h GLY 412 CO 0.03 0.37 0.52 -0.55 0.00 0.00 0.00 176.54 176.91 2ibi h ASP 413 N 0.58 0.34 0.06 0.19 3.32 -1.02 -2.14 116.42 117.75 2ibi h ASP 413 Ca 0.15 0.24 -0.19 0.00 0.02 0.00 0.00 57.03 57.25 2ibi h ASP 413 Cb 0.20 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 2ibi h ASP 413 CO -0.01 -0.35 -0.96 -0.07 -1.72 0.00 0.00 179.24 176.13 2ibi h LEU 414 N 0.09 0.20 0.00 1.55 3.38 -1.20 -3.41 115.31 115.93 2ibi h LEU 414 Ca 0.80 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2ibi h LEU 414 Cb 2.03 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.72 2ibi h LEU 414 CO -0.73 1.41 -1.74 0.49 0.09 0.00 0.00 178.44 177.95 2ibi n PHE 415 N -4.25 0.17 -3.06 1.13 3.72 -0.87 -0.14 117.46 114.16 2ibi n PHE 415 Ca -0.22 0.05 -0.40 0.00 -0.05 0.00 0.00 57.45 56.83 2ibi n PHE 415 Cb 0.73 -0.55 -0.05 0.00 -0.94 0.00 0.00 39.48 38.67 2ibi n PHE 415 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2ibi s VAL 416 N -3.45 5.01 0.44 -4.37 1.01 -0.84 -4.39 120.40 113.82 2ibi s VAL 416 Ca -0.05 1.35 0.02 0.00 0.00 0.00 0.00 61.98 63.29 2ibi s VAL 416 Cb 0.13 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.53 2ibi s VAL 416 CO 0.88 0.16 0.17 0.61 0.00 0.00 0.00 175.10 176.92 2ibi n GLY 417 N 3.45 3.22 2.94 4.51 0.00 0.08 -4.23 105.19 115.17 2ibi n GLY 417 Ca -0.01 -2.31 -0.25 0.00 0.00 0.00 0.00 46.02 43.45 2ibi n GLY 417 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ibi s GLN 418 N -3.71 1.47 0.11 1.61 0.74 0.23 -2.04 119.66 118.08 2ibi s GLN 418 Ca 0.13 -0.27 -0.21 0.00 0.05 0.00 0.00 55.36 55.06 2ibi s GLN 418 Cb -0.01 -1.42 -0.07 0.00 1.10 0.00 0.00 33.01 32.61 2ibi s GLN 418 CO 0.08 -0.15 0.64 -0.51 -0.55 0.00 0.00 175.29 174.80 2ibi s LEU 419 N 1.29 4.54 -0.18 3.68 1.43 0.31 -0.05 118.68 129.70 2ibi s LEU 419 Ca -0.03 1.39 -0.06 0.00 -1.03 0.00 0.00 54.13 54.39 2ibi s LEU 419 Cb -0.14 -3.06 -0.03 0.00 0.03 0.00 0.00 46.19 42.99 2ibi s LEU 419 CO -0.03 0.24 0.03 -0.75 0.23 0.00 0.00 176.35 176.07 2ibi s LYS 420 N -1.18 3.83 -0.23 1.70 2.20 0.01 -0.69 119.74 125.38 2ibi s LYS 420 Ca 0.32 -0.42 -0.02 0.00 -0.36 0.00 0.00 55.97 55.49 2ibi s LYS 420 Cb -0.20 -3.12 0.01 0.00 -1.51 0.00 0.00 37.83 33.01 2ibi s LYS 420 CO 0.21 0.21 -0.07 0.45 -0.36 0.00 0.00 175.35 175.79 2ibi s SER 421 N 0.52 4.13 -0.22 1.43 0.15 0.12 -1.40 113.70 118.42 2ibi s SER 421 Ca 0.01 -0.66 -0.05 0.00 0.70 0.00 0.00 55.95 55.95 2ibi s SER 421 Cb -0.13 -1.66 -0.01 0.00 -1.71 0.00 0.00 66.02 62.50 2ibi s SER 421 CO 0.02 -0.07 -0.02 -0.44 1.20 0.00 0.00 173.24 173.93 2ibi s SER 422 N 1.38 4.50 -0.29 5.45 0.01 -0.09 -1.12 113.70 123.53 2ibi s SER 422 Ca 0.03 -0.34 0.03 0.00 1.31 0.00 0.00 55.95 56.98 2ibi s SER 422 Cb -0.15 -1.78 0.08 0.00 0.21 0.00 0.00 66.02 64.38 2ibi s SER 422 CO -0.05 -0.01 -0.02 -0.22 0.41 0.00 0.00 173.24 173.35 2ibi s LEU 423 N 1.43 3.76 -0.27 2.44 2.96 0.06 -1.18 118.68 127.88 2ibi s LEU 423 Ca 0.05 -1.69 -0.15 0.00 -0.22 0.00 0.00 54.13 52.12 2ibi s LEU 423 Cb -0.14 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 2ibi s LEU 423 CO -0.01 -0.29 0.36 -0.89 -1.32 0.00 0.00 176.35 174.20 2ibi s THR 424 N 1.10 5.18 0.07 3.68 2.01 0.50 -0.75 115.64 127.43 2ibi s THR 424 Ca 0.01 0.53 -0.31 0.00 0.31 0.00 0.00 61.69 62.23 2ibi s THR 424 Cb -0.19 -3.69 -0.07 0.00 0.01 0.00 0.00 72.50 68.55 2ibi s THR 424 CO -0.08 0.15 1.50 0.00 -0.69 0.00 0.00 174.62 175.50 2ibi h THR 426 N 4.63 0.00 0.12 0.00 1.35 -1.41 -1.17 112.91 116.44 2ibi h THR 426 Ca -0.41 -0.66 -0.01 0.00 -0.55 0.00 0.00 66.41 64.78 2ibi h THR 426 Cb 1.20 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 2ibi h THR 426 CO 0.90 0.00 -0.06 0.44 -0.25 0.00 0.00 175.52 176.56 2ibi h ASP 427 N 0.00 -0.13 0.38 5.36 3.45 -1.92 -3.39 116.42 120.16 2ibi h ASP 427 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2ibi h ASP 427 Cb 0.73 0.03 0.00 0.00 -0.56 0.00 0.00 39.33 39.53 2ibi h ASP 427 CO 0.00 0.19 -0.57 0.00 -1.57 0.00 0.00 179.24 177.29 2ibi n GLY 429 N 1.48 0.77 3.76 0.00 0.00 -0.44 -5.00 105.19 105.76 2ibi n GLY 429 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2ibi n GLY 429 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ibi s TYR 430 N -3.22 2.99 -0.37 1.61 5.04 -1.25 -4.67 117.35 117.48 2ibi s TYR 430 Ca 0.00 1.21 -0.07 0.00 -2.44 0.00 0.00 57.07 55.77 2ibi s TYR 430 Cb 0.00 -3.78 0.06 0.00 0.35 0.00 0.00 41.96 38.59 2ibi s TYR 430 CO 0.00 -2.34 0.16 0.00 -1.34 0.00 0.00 175.55 172.03 2ibi s SER 432 N 1.68 6.82 -0.12 0.00 0.15 0.07 -4.84 113.70 117.46 2ibi s SER 432 Ca 0.01 1.00 -0.00 0.00 0.70 0.00 0.00 55.95 57.66 2ibi s SER 432 Cb -0.21 -2.40 -0.02 0.00 -1.71 0.00 0.00 66.02 61.68 2ibi s SER 432 CO 0.02 -0.33 -0.10 0.42 1.20 0.00 0.00 173.24 174.45 2ibi s THR 433 N 1.99 3.34 0.08 6.45 -4.23 -1.26 -0.76 115.64 121.25 2ibi s THR 433 Ca 0.33 -0.57 0.08 0.00 -1.18 0.00 0.00 61.69 60.34 2ibi s THR 433 Cb -0.16 -2.40 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 2ibi s THR 433 CO 0.11 0.54 -0.20 0.68 -0.54 0.00 0.00 174.62 175.21 2ibi s VAL 434 N 0.04 1.62 -0.31 2.29 -7.23 -0.27 -4.97 120.40 111.57 2ibi s VAL 434 Ca -0.03 -1.39 -0.02 0.00 -1.81 0.00 0.00 61.98 58.73 2ibi s VAL 434 Cb -0.14 -1.46 0.05 0.00 0.56 0.00 0.00 36.38 35.39 2ibi s VAL 434 CO 0.04 0.02 0.02 -0.36 -0.31 0.00 0.00 175.10 174.50 2ibi s PHE 435 N -1.03 3.29 -0.26 2.82 0.08 -1.26 0.11 117.98 121.74 2ibi s PHE 435 Ca 0.06 -1.91 -0.09 0.00 0.12 0.00 0.00 56.93 55.11 2ibi s PHE 435 Cb -0.09 -2.19 -0.04 0.00 -0.57 0.00 0.00 43.02 40.12 2ibi s PHE 435 CO 0.03 -0.81 0.13 -0.51 -0.10 0.00 0.00 175.22 173.95 2ibi s ASP 436 N 1.29 5.63 0.74 1.36 1.01 0.13 -4.92 116.67 121.91 2ibi s ASP 436 Ca -0.04 -0.07 -0.15 0.00 0.71 0.00 0.00 52.55 53.00 2ibi s ASP 436 Cb -0.20 -2.02 0.04 0.00 1.01 0.00 0.00 42.92 41.75 2ibi s ASP 436 CO -0.01 -0.01 1.22 -2.16 0.21 0.00 0.00 175.17 174.41 2ibi s PRO 437 N 1.52 2.06 -0.11 8.23 0.04 -1.26 0.11 135.00 145.60 2ibi s PRO 437 Ca 0.06 1.79 -0.11 0.00 0.04 0.00 0.00 61.00 62.78 2ibi s PRO 437 Cb -0.15 -1.82 0.03 0.00 0.04 0.00 0.00 34.50 32.60 2ibi s PRO 437 CO 0.07 -1.91 0.32 -0.59 0.04 0.00 0.00 177.00 174.93 2ibi s PHE 438 N -1.96 -0.32 -0.73 0.56 -0.12 -0.87 -4.80 117.98 109.75 2ibi s PHE 438 Ca 0.75 0.77 0.19 0.00 -0.05 0.00 0.00 56.93 58.60 2ibi s PHE 438 Cb -0.30 0.11 -0.23 0.00 -0.63 0.00 0.00 43.02 41.97 2ibi s PHE 438 CO 0.46 -0.20 0.74 0.91 -0.05 0.00 0.00 175.22 177.09 2ibi n TRP 439 N 2.70 0.00 -3.86 3.49 7.02 -1.26 -0.74 117.44 124.78 2ibi n TRP 439 Ca -0.14 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.27 2ibi n TRP 439 Cb 0.58 -0.10 -0.02 0.00 -2.42 0.00 0.00 31.31 29.35 2ibi n TRP 439 CO 0.00 0.00 0.00 0.16 -2.02 0.00 0.00 177.69 175.83 2ibi s ASP 440 N -3.15 -0.25 -0.11 -0.99 1.47 -1.26 -4.54 116.67 107.83 2ibi s ASP 440 Ca 0.04 -0.62 0.03 0.00 1.18 0.00 0.00 52.55 53.18 2ibi s ASP 440 Cb 0.14 0.72 0.00 0.00 -0.34 0.00 0.00 42.92 43.45 2ibi s ASP 440 CO 0.81 -1.34 -0.22 -0.76 0.68 0.00 0.00 175.17 174.34 2ibi s LEU 441 N -2.92 2.03 -0.46 2.11 1.43 -0.36 -5.01 118.68 115.50 2ibi s LEU 441 Ca 0.11 -0.54 -0.15 0.00 -1.03 0.00 0.00 54.13 52.52 2ibi s LEU 441 Cb -0.06 -1.35 0.06 0.00 0.03 0.00 0.00 46.19 44.88 2ibi s LEU 441 CO 0.07 0.12 0.38 -0.44 0.23 0.00 0.00 176.35 176.71 2ibi s SER 442 N 0.54 6.14 -0.16 2.29 0.01 -1.26 -0.24 113.70 121.02 2ibi s SER 442 Ca -0.15 -1.24 -0.15 0.00 1.31 0.00 0.00 55.95 55.72 2ibi s SER 442 Cb -0.17 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 63.84 2ibi s SER 442 CO 0.05 -0.61 0.37 -0.76 0.41 0.00 0.00 173.24 172.70 2ibi s LEU 443 N 1.66 4.23 0.65 2.44 1.43 0.19 -4.89 118.68 124.39 2ibi s LEU 443 Ca 0.04 0.59 -0.15 0.00 -1.03 0.00 0.00 54.13 53.58 2ibi s LEU 443 Cb -0.23 -2.49 -0.00 0.00 0.03 0.00 0.00 46.19 43.49 2ibi s LEU 443 CO 0.07 0.03 1.10 -2.16 0.23 0.00 0.00 176.35 175.63 2ibi s PRO 444 N 0.72 2.85 -0.20 1.29 0.04 -1.26 -0.65 135.00 137.78 2ibi s PRO 444 Ca 0.20 1.37 -0.14 0.00 0.04 0.00 0.00 61.00 62.47 2ibi s PRO 444 Cb -0.14 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2ibi s PRO 444 CO 0.06 -1.21 0.30 0.42 0.04 0.00 0.00 177.00 176.62 2ibi s ILE 445 N -2.35 5.28 0.28 0.56 1.01 -1.26 -4.63 121.20 120.08 2ibi s ILE 445 Ca 0.67 0.51 -0.29 0.00 0.00 0.00 0.00 60.65 61.53 2ibi s ILE 445 Cb -0.20 -3.63 -0.14 0.00 0.01 0.00 0.00 42.46 38.50 2ibi s ILE 445 CO 0.41 0.31 1.13 0.00 0.00 0.00 0.00 174.94 176.80 2ibi n ALA 446 N 4.19 0.22 -0.01 9.38 0.00 -1.26 -4.93 120.51 128.09 2ibi n ALA 446 Ca -0.11 0.39 -0.17 0.00 0.00 0.00 0.00 53.44 53.55 2ibi n ALA 446 Cb 0.52 -2.10 -0.13 0.00 0.00 0.00 0.00 19.45 17.73 2ibi n ALA 446 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2ibi h LYS 447 N 2.50 0.16 -5.46 0.00 6.56 -1.98 -3.45 116.57 114.90 2ibi h LYS 447 Ca -0.42 -0.26 -0.50 0.00 -1.06 0.00 0.00 60.65 58.41 2ibi h LYS 447 Cb 1.32 0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 33.05 2ibi h LYS 447 CO 0.64 1.10 1.65 0.54 -2.06 0.00 0.00 179.45 181.32 2ibi n ARG 448 N -4.37 0.72 -3.25 3.15 1.74 -1.26 -4.93 116.66 108.46 2ibi n ARG 448 Ca -0.12 0.04 -0.24 0.00 -0.77 0.00 0.00 57.85 56.77 2ibi n ARG 448 Cb 0.64 -2.68 -0.01 0.00 -1.02 0.00 0.00 32.46 29.39 2ibi n ARG 448 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2ibi s GLY 449 N 10.51 1.39 0.31 -0.13 0.00 -1.26 -4.36 107.32 113.78 2ibi s GLY 449 Ca 1.12 -0.91 0.15 0.00 0.00 0.00 0.00 44.72 45.08 2ibi s GLY 449 CO 0.37 -0.82 1.38 -1.55 0.00 0.00 0.00 173.10 172.47 2ibi n PRO 451 N -1.87 -0.06 -3.67 2.90 -0.04 -1.26 -4.53 135.00 126.47 2ibi n PRO 451 Ca -0.03 1.22 -0.15 0.00 -0.04 0.00 0.00 63.50 64.50 2ibi n PRO 451 Cb 0.56 -2.14 -0.08 0.00 -0.04 0.00 0.00 33.50 31.80 2ibi n PRO 451 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2ibi s GLU 452 N -5.43 0.81 0.28 0.54 -1.05 -1.26 -5.14 118.70 107.45 2ibi s GLU 452 Ca -0.09 -0.05 -0.29 0.00 -0.15 0.00 0.00 54.97 54.40 2ibi s GLU 452 Cb 0.29 0.37 -0.09 0.00 -0.44 0.00 0.00 34.13 34.26 2ibi s GLU 452 CO 0.68 -0.24 1.00 0.14 0.95 0.00 0.00 175.26 177.79 2ibi s VAL 453 N -1.34 3.87 0.28 1.83 -7.23 -1.26 -4.96 120.40 111.60 2ibi s VAL 453 Ca -0.12 1.80 0.10 0.00 -1.81 0.00 0.00 61.98 61.94 2ibi s VAL 453 Cb -0.03 -4.11 -0.05 0.00 0.56 0.00 0.00 36.38 32.75 2ibi s VAL 453 CO 0.06 0.36 -0.02 0.42 -0.31 0.00 0.00 175.10 175.61 2ibi s THR 454 N -1.28 3.17 0.20 5.32 -4.23 -1.26 -0.89 115.64 116.68 2ibi s THR 454 Ca 0.45 -1.98 -0.11 0.00 -1.18 0.00 0.00 61.69 58.87 2ibi s THR 454 Cb -0.27 -2.77 0.15 0.00 1.34 0.00 0.00 72.50 70.95 2ibi s THR 454 CO 0.33 -0.34 1.71 0.25 -0.54 0.00 0.00 174.62 176.03 2ibi h LEU 455 N 1.90 -0.01 -1.00 4.79 5.85 -0.47 -2.39 115.31 123.98 2ibi h LEU 455 Ca -0.43 0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.50 2ibi h LEU 455 Cb 1.25 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 42.35 2ibi h LEU 455 CO 0.61 0.01 0.63 0.24 -0.34 0.00 0.00 178.44 179.59 2ibi h MET 456 N 0.24 1.00 -0.50 1.25 2.86 -1.96 0.30 114.93 118.13 2ibi h MET 456 Ca 0.29 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.91 2ibi h MET 456 Cb 0.43 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 2ibi h MET 456 CO -0.38 0.66 0.34 -0.44 1.06 0.00 0.00 176.91 178.14 2ibi h ASP 457 N 1.03 0.46 0.69 1.22 3.32 -1.83 -1.57 116.42 119.74 2ibi h ASP 457 Ca 0.48 -0.00 -0.25 0.00 0.02 0.00 0.00 57.03 57.28 2ibi h ASP 457 Cb 0.41 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2ibi h ASP 457 CO -0.24 0.31 -1.11 0.00 -1.72 0.00 0.00 179.24 176.48 2ibi h MET 459 N 0.07 0.57 -0.06 0.00 1.85 -0.94 -2.03 114.93 114.40 2ibi h MET 459 Ca -0.09 -0.34 -0.12 0.00 -0.61 0.00 0.00 59.70 58.54 2ibi h MET 459 Cb 1.83 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 33.88 2ibi h MET 459 CO 0.17 0.94 -0.52 0.00 -0.40 0.00 0.00 176.91 177.11 2ibi h ARG 460 N 0.45 0.15 -0.08 0.39 3.08 -1.34 -1.84 114.38 115.20 2ibi h ARG 460 Ca 0.02 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2ibi h ARG 460 Cb 1.03 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 2ibi h ARG 460 CO 0.10 0.63 -0.02 1.25 -1.07 0.00 0.00 179.97 180.86 2ibi h LEU 461 N 0.12 0.15 -0.80 3.04 5.85 -1.23 -0.45 115.31 121.99 2ibi h LEU 461 Ca 0.00 -0.36 0.15 0.00 0.84 0.00 0.00 57.88 58.51 2ibi h LEU 461 Cb 0.95 -0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.84 2ibi h LEU 461 CO 0.08 0.48 0.36 0.15 -0.34 0.00 0.00 178.44 179.16 2ibi h PHE 462 N -0.17 0.61 -0.65 1.25 3.57 -1.39 -3.04 116.94 117.12 2ibi h PHE 462 Ca 0.02 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2ibi h PHE 462 Cb 0.41 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.00 2ibi h PHE 462 CO 0.05 0.09 0.00 0.25 -2.23 0.00 0.00 178.31 176.47 2ibi n THR 463 N -4.96 1.90 -1.72 4.41 -2.24 -0.69 -4.66 114.28 106.30 2ibi n THR 463 Ca 0.16 -1.19 -0.31 0.00 -2.27 0.00 0.00 64.05 60.44 2ibi n THR 463 Cb 0.45 0.08 0.04 0.00 -2.10 0.00 0.00 70.33 68.80 2ibi n THR 463 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2ibi s LYS 464 N -1.92 3.10 -0.29 -0.78 -2.85 -0.19 -4.37 119.74 112.43 2ibi s LYS 464 Ca 0.52 1.00 -0.28 0.00 -1.00 0.00 0.00 55.97 56.20 2ibi s LYS 464 Cb 0.34 -2.01 -0.04 0.00 -2.06 0.00 0.00 37.83 34.06 2ibi s LYS 464 CO 0.24 -0.97 2.05 -1.21 0.10 0.00 0.00 175.35 175.56 2ibi s GLU 465 N -4.81 3.13 -0.32 1.78 8.01 -1.26 -4.55 118.70 120.69 2ibi s GLU 465 Ca 0.59 1.71 -0.24 0.00 0.01 0.00 0.00 54.97 57.04 2ibi s GLU 465 Cb -0.14 -4.32 0.00 0.00 -4.31 0.00 0.00 34.13 25.37 2ibi s GLU 465 CO 0.50 -2.10 0.82 -0.51 0.01 0.00 0.00 175.26 173.98 2ibi s ASP 466 N 7.65 6.67 -0.43 -0.19 1.01 0.78 -4.87 116.67 127.30 2ibi s ASP 466 Ca 0.91 0.66 -0.26 0.00 0.71 0.00 0.00 52.55 54.56 2ibi s ASP 466 Cb -0.27 -2.42 0.02 0.00 1.01 0.00 0.00 42.92 41.26 2ibi s ASP 466 CO 0.33 -0.66 0.97 -0.69 0.21 0.00 0.00 175.17 175.34 2ibi s VAL 467 N 3.06 4.46 -0.40 -1.27 1.01 -1.26 -1.02 120.40 124.97 2ibi s VAL 467 Ca 0.34 1.03 -0.13 0.00 0.00 0.00 0.00 61.98 63.22 2ibi s VAL 467 Cb -0.14 -4.43 0.03 0.00 0.00 0.00 0.00 36.38 31.84 2ibi s VAL 467 CO 0.14 -0.75 0.27 -0.76 0.00 0.00 0.00 175.10 173.99 2ibi s LEU 468 N 3.79 5.00 0.24 3.92 1.02 0.31 -4.99 118.68 127.97 2ibi s LEU 468 Ca 0.40 -1.03 -0.06 0.00 0.02 0.00 0.00 54.13 53.46 2ibi s LEU 468 Cb -0.10 -2.09 -0.02 0.00 0.02 0.00 0.00 46.19 44.00 2ibi s LEU 468 CO 0.24 -0.45 0.32 -0.62 0.02 0.00 0.00 176.35 175.87 2ibi s ASP 469 N 1.75 0.18 1.82 2.29 2.15 -1.26 -1.73 116.67 121.87 2ibi s ASP 469 Ca 0.03 -1.21 0.00 0.00 0.43 0.00 0.00 52.55 51.80 2ibi s ASP 469 Cb -0.20 0.51 0.00 0.00 -0.30 0.00 0.00 42.92 42.93 2ibi s ASP 469 CO 0.08 -1.03 0.00 0.61 -0.17 0.00 0.00 175.17 174.66 2ibi n GLY 470 N -0.36 3.83 0.00 2.66 0.00 -1.26 -1.11 105.19 108.95 2ibi n GLY 470 Ca 0.01 0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.15 2ibi n GLY 470 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ibi n ASP 471 N 6.28 0.00 -0.21 1.61 5.68 -1.26 -2.33 116.55 126.33 2ibi n ASP 471 Ca 0.00 -0.24 0.08 0.00 -0.50 0.00 0.00 54.79 54.13 2ibi n ASP 471 Cb 0.00 -0.17 -0.04 0.00 -1.14 0.00 0.00 41.12 39.77 2ibi n ASP 471 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ibi n ALA 472 N -1.17 3.59 -1.61 2.12 0.00 -0.27 -4.98 120.51 118.20 2ibi n ALA 472 Ca 0.11 -0.50 -0.45 0.00 0.00 0.00 0.00 53.44 52.60 2ibi n ALA 472 Cb 0.12 -0.58 -0.04 0.00 0.00 0.00 0.00 19.45 18.95 2ibi n ALA 472 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ibi n ALA 473 N -0.67 1.49 -1.62 0.00 0.00 -0.98 -4.28 120.51 114.45 2ibi n ALA 473 Ca 0.05 -0.03 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 2ibi n ALA 473 Cb 0.30 -2.75 0.06 0.00 0.00 0.00 0.00 19.45 17.07 2ibi n ALA 473 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ibi s PRO 474 N 5.54 2.65 0.02 0.00 0.04 -1.21 -4.63 135.00 137.41 2ibi s PRO 474 Ca 0.98 0.76 -0.26 0.00 0.04 0.00 0.00 61.00 62.53 2ibi s PRO 474 Cb -0.49 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.03 2ibi s PRO 474 CO 0.41 -1.25 0.81 0.99 0.04 0.00 0.00 177.00 178.00 2ibi s THR 475 N -3.13 4.79 -0.23 1.26 2.01 -1.26 -1.36 115.64 117.72 2ibi s THR 475 Ca 0.59 1.70 -0.14 0.00 0.31 0.00 0.00 61.69 64.15 2ibi s THR 475 Cb -0.14 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.18 2ibi s THR 475 CO 0.54 0.30 0.33 0.00 -0.69 0.00 0.00 174.62 175.11 2ibi h ARG 478 N 0.00 -0.22 0.00 0.00 2.47 -1.96 -3.25 114.38 111.43 2ibi h ARG 478 Ca -0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2ibi h ARG 478 Cb 1.04 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.41 2ibi h ARG 478 CO 0.04 0.19 0.00 0.00 0.56 0.00 0.00 179.97 180.76 2ibi n ARG 480 N -3.03 -7.08 -3.62 0.00 1.74 0.23 -4.97 116.66 99.92 2ibi n ARG 480 Ca 0.01 0.81 -0.02 0.00 -0.77 0.00 0.00 57.85 57.87 2ibi n ARG 480 Cb 0.30 -5.74 -0.01 0.00 -1.02 0.00 0.00 32.46 25.98 2ibi n ARG 480 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2ibi s GLY 481 N -3.76 -0.36 -0.05 -0.13 0.00 -1.07 -5.00 107.32 96.95 2ibi s GLY 481 Ca 0.31 0.90 -0.29 0.00 0.00 0.00 0.00 44.72 45.64 2ibi s GLY 481 CO 0.70 0.24 0.95 0.50 0.00 0.00 0.00 173.10 175.49 2ibi s ARG 482 N -2.61 4.49 0.11 2.90 0.52 -1.26 -0.26 118.95 122.84 2ibi s ARG 482 Ca 0.12 1.33 0.02 0.00 -0.52 0.00 0.00 55.73 56.68 2ibi s ARG 482 Cb 0.02 -3.49 -0.04 0.00 0.52 0.00 0.00 34.95 31.95 2ibi s ARG 482 CO -0.04 -0.14 -0.07 0.15 0.02 0.00 0.00 175.30 175.22 2ibi s LYS 483 N 1.39 0.88 0.13 3.54 -0.14 -0.46 -4.92 119.74 120.16 2ibi s LYS 483 Ca 0.49 -1.36 -0.31 0.00 -1.36 0.00 0.00 55.97 53.42 2ibi s LYS 483 Cb -0.19 -0.28 -0.08 0.00 -1.68 0.00 0.00 37.83 35.59 2ibi s LYS 483 CO 0.23 -0.01 1.40 0.50 -0.76 0.00 0.00 175.35 176.71 2ibi s ARG 484 N -3.82 4.32 0.09 1.68 3.52 -1.26 -3.36 118.95 120.12 2ibi s ARG 484 Ca 0.13 2.10 0.02 0.00 -0.13 0.00 0.00 55.73 57.85 2ibi s ARG 484 Cb 0.05 -3.23 -0.04 0.00 -1.56 0.00 0.00 34.95 30.17 2ibi s ARG 484 CO -0.04 -0.43 -0.07 0.00 -0.81 0.00 0.00 175.30 173.95 2ibi s ILE 486 N -3.16 2.56 -0.10 0.00 -1.09 0.27 -0.53 121.20 119.15 2ibi s ILE 486 Ca 0.08 -0.82 0.01 0.00 -2.23 0.00 0.00 60.65 57.69 2ibi s ILE 486 Cb 0.02 -2.06 -0.02 0.00 -1.58 0.00 0.00 42.46 38.82 2ibi s ILE 486 CO -0.03 0.53 -0.12 -0.75 -1.23 0.00 0.00 174.94 173.34 2ibi s LYS 487 N 0.71 3.05 -0.09 2.79 2.20 -0.19 -0.37 119.74 127.83 2ibi s LYS 487 Ca -0.08 -0.65 -0.04 0.00 -0.36 0.00 0.00 55.97 54.84 2ibi s LYS 487 Cb -0.16 -2.58 0.04 0.00 -1.51 0.00 0.00 37.83 33.63 2ibi s LYS 487 CO 0.01 0.41 0.20 0.21 -0.36 0.00 0.00 175.35 175.82 2ibi s LYS 488 N -0.16 0.16 0.13 4.03 2.20 -0.33 -0.16 119.74 125.62 2ibi s LYS 488 Ca 0.00 0.43 -0.15 0.00 -0.36 0.00 0.00 55.97 55.89 2ibi s LYS 488 Cb -0.13 -0.11 -0.07 0.00 -1.51 0.00 0.00 37.83 36.00 2ibi s LYS 488 CO 0.03 -0.15 0.55 -0.06 -0.36 0.00 0.00 175.35 175.37 2ibi s PHE 489 N 1.08 3.64 0.12 4.03 0.08 -1.26 -0.92 117.98 124.75 2ibi s PHE 489 Ca -0.08 1.09 -0.04 0.00 0.12 0.00 0.00 56.93 58.02 2ibi s PHE 489 Cb -0.10 -2.39 -0.03 0.00 -0.57 0.00 0.00 43.02 39.94 2ibi s PHE 489 CO -0.06 0.46 0.11 -1.54 -0.10 0.00 0.00 175.22 174.09 2ibi s SER 490 N -1.61 0.25 -0.32 1.36 1.04 -0.49 -4.71 113.70 109.22 2ibi s SER 490 Ca 0.36 -1.03 -0.14 0.00 0.48 0.00 0.00 55.95 55.62 2ibi s SER 490 Cb -0.16 0.32 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 2ibi s SER 490 CO 0.19 -0.75 0.30 -0.63 0.98 0.00 0.00 173.24 173.33 2ibi s ILE 491 N -3.99 5.23 -0.05 -1.02 1.01 0.53 -0.81 121.20 122.10 2ibi s ILE 491 Ca 0.18 0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.76 2ibi s ILE 491 Cb 0.06 -3.73 -0.31 0.00 0.01 0.00 0.00 42.46 38.49 2ibi s ILE 491 CO -0.02 0.01 0.66 -0.61 0.00 0.00 0.00 174.94 174.99 2ibi h GLN 492 N 8.42 0.39 -4.06 2.79 5.75 -0.77 -1.81 115.11 125.83 2ibi h GLN 492 Ca -0.31 -0.67 -0.45 0.00 -0.15 0.00 0.00 58.65 57.07 2ibi h GLN 492 Cb 1.16 0.25 -0.35 0.00 1.07 0.00 0.00 27.48 29.61 2ibi h GLN 492 CO 0.65 1.32 -0.78 1.03 -2.65 0.00 0.00 178.83 178.40 2ibi s ARG 493 N -2.57 1.00 0.00 1.69 0.52 -0.73 -4.87 118.95 113.99 2ibi s ARG 493 Ca -0.16 -0.13 -0.23 0.00 -0.52 0.00 0.00 55.73 54.69 2ibi s ARG 493 Cb 0.05 -1.05 -0.05 0.00 0.52 0.00 0.00 34.95 34.42 2ibi s ARG 493 CO 0.85 -0.14 0.69 -0.06 0.02 0.00 0.00 175.30 176.67 2ibi s PHE 494 N 1.21 3.68 0.54 -0.53 0.40 -1.26 -0.60 117.98 121.42 2ibi s PHE 494 Ca -0.06 1.33 -0.12 0.00 -0.60 0.00 0.00 56.93 57.47 2ibi s PHE 494 Cb -0.14 -2.74 -0.06 0.00 0.51 0.00 0.00 43.02 40.59 2ibi s PHE 494 CO -0.02 0.26 0.95 -1.25 0.70 0.00 0.00 175.22 175.86 2ibi s PRO 495 N 0.10 3.74 0.19 0.24 0.04 -1.26 -4.84 135.00 133.21 2ibi s PRO 495 Ca 0.36 0.73 -0.12 0.00 0.04 0.00 0.00 61.00 62.01 2ibi s PRO 495 Cb -0.19 -2.17 0.11 0.00 0.04 0.00 0.00 34.50 32.29 2ibi s PRO 495 CO 0.20 -0.36 1.84 0.87 0.04 0.00 0.00 177.00 179.59 2ibi h LYS 496 N 0.38 0.88 -4.98 4.56 1.57 -1.72 -3.39 116.57 113.88 2ibi h LYS 496 Ca -0.46 -0.07 -0.66 0.00 -1.87 0.00 0.00 60.65 57.59 2ibi h LYS 496 Cb 1.19 -0.19 -0.27 0.00 0.08 0.00 0.00 32.23 33.04 2ibi h LYS 496 CO 0.62 0.61 -0.71 0.42 -0.57 0.00 0.00 179.45 179.83 2ibi s ILE 497 N -6.03 3.50 -0.42 1.86 -1.09 0.80 -2.61 121.20 117.21 2ibi s ILE 497 Ca -0.13 -0.48 -0.14 0.00 -2.23 0.00 0.00 60.65 57.67 2ibi s ILE 497 Cb 0.14 -2.62 0.04 0.00 -1.58 0.00 0.00 42.46 38.44 2ibi s ILE 497 CO 0.77 0.39 0.31 -0.22 -1.23 0.00 0.00 174.94 174.95 2ibi s LEU 498 N 1.49 5.20 -0.26 2.97 2.96 -0.11 -4.52 118.68 126.41 2ibi s LEU 498 Ca 0.05 -1.11 -0.16 0.00 -0.22 0.00 0.00 54.13 52.69 2ibi s LEU 498 Cb -0.15 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 2ibi s LEU 498 CO -0.02 -0.51 0.44 -0.69 -1.32 0.00 0.00 176.35 174.25 2ibi s VAL 499 N 1.62 5.13 -0.15 1.68 1.01 -1.26 -1.03 120.40 127.39 2ibi s VAL 499 Ca 0.04 0.72 -0.00 0.00 0.00 0.00 0.00 61.98 62.74 2ibi s VAL 499 Cb -0.21 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 2ibi s VAL 499 CO 0.08 0.13 -0.14 -0.76 0.00 0.00 0.00 175.10 174.40 2ibi s LEU 500 N 2.14 2.57 -0.26 3.92 1.43 -0.04 -1.22 118.68 127.22 2ibi s LEU 500 Ca 0.18 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 2ibi s LEU 500 Cb -0.16 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.49 2ibi s LEU 500 CO 0.09 0.10 -0.02 -2.28 0.23 0.00 0.00 176.35 174.47 2ibi s HIS 501 N 0.74 3.07 -0.19 0.29 5.65 0.67 -1.18 115.29 124.35 2ibi s HIS 501 Ca -0.06 -1.31 -0.25 0.00 0.25 0.00 0.00 55.06 53.69 2ibi s HIS 501 Cb -0.15 -2.12 -0.01 0.00 -1.18 0.00 0.00 32.58 29.12 2ibi s HIS 501 CO 0.01 -0.66 0.85 -0.51 -0.65 0.00 0.00 174.74 173.78 2ibi s LEU 502 N 1.39 4.15 -1.32 8.88 1.02 -0.59 0.55 118.68 132.78 2ibi s LEU 502 Ca 0.02 1.17 -0.18 0.00 0.02 0.00 0.00 54.13 55.16 2ibi s LEU 502 Cb -0.16 -3.25 0.06 0.00 0.02 0.00 0.00 46.19 42.85 2ibi s LEU 502 CO -0.02 -0.44 1.81 0.29 0.02 0.00 0.00 176.35 178.00 2ibi n LYS 503 N 5.44 3.11 -1.40 1.70 5.02 0.17 -4.83 118.16 127.38 2ibi n LYS 503 Ca 0.05 -3.17 -0.24 0.00 -2.02 0.00 0.00 58.31 52.93 2ibi n LYS 503 Cb 0.48 -3.48 -0.08 0.00 -0.02 0.00 0.00 35.03 31.94 2ibi n LYS 503 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2ibi n ARG 504 N 8.10 2.32 -3.89 1.97 1.74 -1.26 -4.37 116.66 121.27 2ibi n ARG 504 Ca 0.49 -2.09 -0.20 0.00 -0.77 0.00 0.00 57.85 55.28 2ibi n ARG 504 Cb 0.45 -2.11 -0.17 0.00 -1.02 0.00 0.00 32.46 29.61 2ibi n ARG 504 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2ibi s PHE 505 N -1.22 0.53 0.93 -1.55 0.08 -1.26 -1.67 117.98 113.82 2ibi s PHE 505 Ca 0.60 -0.09 -0.11 0.00 0.12 0.00 0.00 56.93 57.45 2ibi s PHE 505 Cb 0.37 -0.63 0.15 0.00 -0.57 0.00 0.00 43.02 42.34 2ibi s PHE 505 CO -0.18 -0.23 1.09 -1.54 -0.10 0.00 0.00 175.22 174.26 2ibi s SER 506 N 1.48 3.10 0.00 1.36 1.04 0.53 -4.86 113.70 116.35 2ibi s SER 506 Ca -0.03 1.58 0.26 0.00 0.48 0.00 0.00 55.95 58.24 2ibi s SER 506 Cb -0.13 -2.24 0.72 0.00 0.10 0.00 0.00 66.02 64.48 2ibi s SER 506 CO -0.03 -2.88 1.55 -1.84 0.98 0.00 0.00 173.24 171.01 2ibi n GLU 507 N -4.05 1.09 -0.46 4.02 0.28 -1.26 -4.61 120.64 115.65 2ibi n GLU 507 Ca 0.07 -0.68 -0.18 0.00 -0.16 0.00 0.00 57.16 56.21 2ibi n GLU 507 Cb 0.55 -1.49 -0.02 0.00 1.43 0.00 0.00 31.44 31.91 2ibi n GLU 507 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2ibi n SER 508 N -0.36 -0.09 -0.06 -1.84 2.88 -1.26 -4.86 113.62 108.03 2ibi n SER 508 Ca 0.13 0.36 0.13 0.00 -1.33 0.00 0.00 58.87 58.16 2ibi n SER 508 Cb 0.37 -0.29 0.46 0.00 -0.75 0.00 0.00 64.21 64.00 2ibi n SER 508 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2ibi n ARG 509 N 0.43 0.29 -0.06 -1.46 1.74 -1.26 -4.18 116.66 112.16 2ibi n ARG 509 Ca 0.06 -0.12 -0.13 0.00 -0.77 0.00 0.00 57.85 56.89 2ibi n ARG 509 Cb 0.04 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 29.94 2ibi n ARG 509 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2ibi n ILE 510 N -1.25 1.02 -3.34 0.55 -0.00 -1.26 -5.04 119.36 110.03 2ibi n ILE 510 Ca 0.09 -0.06 -0.09 0.00 -0.00 0.00 0.00 62.75 62.69 2ibi n ILE 510 Cb 0.32 -1.81 -0.08 0.00 -0.00 0.00 0.00 39.64 38.08 2ibi n ILE 510 CO 0.00 0.00 0.00 -0.60 -0.00 0.00 0.00 176.55 175.95 2ibi s ARG 511 N -2.35 0.36 0.14 0.38 3.52 -1.26 -5.13 118.95 114.61 2ibi s ARG 511 Ca -0.20 0.44 -0.30 0.00 -0.13 0.00 0.00 55.73 55.54 2ibi s ARG 511 Cb 0.06 -0.45 -0.07 0.00 -1.56 0.00 0.00 34.95 32.93 2ibi s ARG 511 CO 0.26 -0.73 1.12 -0.08 -0.81 0.00 0.00 175.30 175.06 2ibi s THR 512 N 2.54 3.95 0.23 4.11 -1.32 -1.26 -4.63 115.64 119.26 2ibi s THR 512 Ca 0.12 1.60 0.11 0.00 -1.21 0.00 0.00 61.69 62.31 2ibi s THR 512 Cb -0.15 -4.02 -0.05 0.00 -1.51 0.00 0.00 72.50 66.77 2ibi s THR 512 CO -0.19 0.23 -0.21 -0.94 -2.21 0.00 0.00 174.62 171.31 2ibi s SER 513 N 0.21 3.59 0.16 8.08 1.04 -1.26 -4.90 113.70 120.62 2ibi s SER 513 Ca 0.52 -0.90 -0.30 0.00 0.48 0.00 0.00 55.95 55.74 2ibi s SER 513 Cb -0.29 -0.32 -0.07 0.00 0.10 0.00 0.00 66.02 65.43 2ibi s SER 513 CO 0.33 0.08 0.98 -0.75 0.98 0.00 0.00 173.24 174.86 2ibi s LYS 514 N -3.04 4.73 -0.29 4.02 2.20 -1.26 -0.35 119.74 125.75 2ibi s LYS 514 Ca 0.25 1.51 -0.21 0.00 -0.36 0.00 0.00 55.97 57.16 2ibi s LYS 514 Cb -0.07 -3.33 -0.01 0.00 -1.51 0.00 0.00 37.83 32.91 2ibi s LYS 514 CO 0.13 0.29 0.67 -0.51 -0.36 0.00 0.00 175.35 175.56 2ibi s LEU 515 N -0.44 4.10 -0.02 5.43 1.43 -0.67 -4.84 118.68 123.67 2ibi s LEU 515 Ca 0.45 0.59 0.17 0.00 -1.03 0.00 0.00 54.13 54.32 2ibi s LEU 515 Cb -0.25 -2.89 0.54 0.00 0.03 0.00 0.00 46.19 43.62 2ibi s LEU 515 CO 0.31 -0.47 1.44 0.35 0.23 0.00 0.00 176.35 178.22 2ibi n THR 516 N 5.35 0.97 -1.67 5.49 -2.24 -1.26 -4.77 114.28 116.14 2ibi n THR 516 Ca 0.00 -0.83 -0.57 0.00 -2.27 0.00 0.00 64.05 60.38 2ibi n THR 516 Cb 0.49 0.31 -0.07 0.00 -2.10 0.00 0.00 70.33 68.96 2ibi n THR 516 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2ibi n THR 517 N 1.15 0.17 -1.85 4.28 -1.04 -1.26 -4.83 114.28 110.90 2ibi n THR 517 Ca 0.20 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.76 2ibi n THR 517 Cb 0.56 -0.98 -0.03 0.00 -1.82 0.00 0.00 70.33 68.06 2ibi n THR 517 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2ibi s PHE 518 N 2.39 1.94 -0.30 -1.42 5.36 -1.26 -4.88 117.98 119.80 2ibi s PHE 518 Ca 0.94 0.01 -0.04 0.00 -0.96 0.00 0.00 56.93 56.89 2ibi s PHE 518 Cb -1.08 -4.06 0.03 0.00 -0.34 0.00 0.00 43.02 37.57 2ibi s PHE 518 CO 0.61 -4.49 0.03 0.08 -1.46 0.00 0.00 175.22 169.99 2ibi s VAL 519 N 3.55 3.42 -0.24 3.12 1.01 -1.26 -4.11 120.40 125.89 2ibi s VAL 519 Ca 0.79 -1.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 2ibi s VAL 519 Cb -0.40 -2.85 -0.00 0.00 0.00 0.00 0.00 36.38 33.13 2ibi s VAL 519 CO 0.35 -0.00 1.25 0.21 0.00 0.00 0.00 175.10 176.90 2ibi s ASN 520 N 1.37 6.84 0.12 3.32 2.47 -0.06 -4.78 114.94 124.22 2ibi s ASN 520 Ca -0.01 1.41 0.09 0.00 0.42 0.00 0.00 52.86 54.77 2ibi s ASN 520 Cb -0.18 -2.54 -0.04 0.00 -1.45 0.00 0.00 41.25 37.04 2ibi s ASN 520 CO 0.00 -0.90 -0.23 0.72 -3.72 0.00 0.00 177.10 172.97 2ibi s PHE 521 N 3.87 2.01 0.43 0.43 -0.12 -1.26 0.29 117.98 123.63 2ibi s PHE 521 Ca 0.54 -0.40 -0.11 0.00 -0.05 0.00 0.00 56.93 56.90 2ibi s PHE 521 Cb -0.18 -1.08 -0.06 0.00 -0.63 0.00 0.00 43.02 41.06 2ibi s PHE 521 CO 0.18 0.28 0.82 -1.25 -0.05 0.00 0.00 175.22 175.19 2ibi s PRO 522 N -2.07 3.79 0.14 1.99 0.04 -1.26 -4.97 135.00 132.67 2ibi s PRO 522 Ca 0.11 0.55 -0.03 0.00 0.04 0.00 0.00 61.00 61.66 2ibi s PRO 522 Cb -0.10 -2.34 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 2ibi s PRO 522 CO 0.05 -0.10 1.34 -0.07 0.04 0.00 0.00 177.00 178.26 2ibi h LEU 523 N 1.10 0.50 -8.31 -3.56 3.38 -1.95 -3.40 115.31 103.07 2ibi h LEU 523 Ca -0.47 -0.38 -0.14 0.00 0.09 0.00 0.00 57.88 56.97 2ibi h LEU 523 Cb 1.19 -0.15 -0.15 0.00 0.09 0.00 0.00 40.66 41.64 2ibi h LEU 523 CO 0.63 1.17 -0.67 -0.13 0.09 0.00 0.00 178.44 179.53 2ibi s ARG 524 N -3.35 0.72 -1.35 1.13 0.52 -1.26 0.21 118.95 115.56 2ibi s ARG 524 Ca -0.06 -1.29 -0.02 0.00 -0.52 0.00 0.00 55.73 53.84 2ibi s ARG 524 Cb 0.09 0.20 0.01 0.00 0.52 0.00 0.00 34.95 35.77 2ibi s ARG 524 CO 0.86 -0.15 0.71 -0.25 0.02 0.00 0.00 175.30 176.49 2ibi n ASP 525 N 0.04 -1.57 -4.56 0.23 8.00 -1.02 -4.90 116.55 112.77 2ibi n ASP 525 Ca -0.11 -0.83 -0.40 0.00 0.71 0.00 0.00 54.79 54.15 2ibi n ASP 525 Cb 0.62 -3.93 -0.03 0.00 -0.02 0.00 0.00 41.12 37.76 2ibi n ASP 525 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2ibi s LEU 526 N -6.79 3.27 -0.34 0.64 2.96 -0.05 -4.87 118.68 113.50 2ibi s LEU 526 Ca 0.10 0.02 -0.13 0.00 -0.22 0.00 0.00 54.13 53.90 2ibi s LEU 526 Cb -0.05 -2.67 -0.02 0.00 0.50 0.00 0.00 46.19 43.95 2ibi s LEU 526 CO 0.82 -2.00 0.27 -0.62 -1.32 0.00 0.00 176.35 173.49 2ibi s ASP 527 N 5.50 6.09 -0.14 3.68 -1.08 -1.26 -1.16 116.67 128.29 2ibi s ASP 527 Ca 0.51 -0.39 0.15 0.00 -0.52 0.00 0.00 52.55 52.31 2ibi s ASP 527 Cb -0.10 -2.15 0.51 0.00 -1.46 0.00 0.00 42.92 39.71 2ibi s ASP 527 CO 0.20 -0.26 1.41 0.18 0.52 0.00 0.00 175.17 177.22 2ibi n LEU 528 N 5.16 3.83 -0.17 -1.34 4.77 -0.75 -4.66 117.00 123.83 2ibi n LEU 528 Ca -0.12 -2.79 0.09 0.00 -0.03 0.00 0.00 56.01 53.16 2ibi n LEU 528 Cb 0.50 -0.49 0.40 0.00 -2.33 0.00 0.00 43.42 41.49 2ibi n LEU 528 CO 0.37 0.69 1.21 0.08 -1.33 0.00 0.00 177.39 178.41 2ibi h ARG 529 N 2.04 0.63 -1.09 3.23 0.11 -1.93 -0.58 114.38 116.79 2ibi h ARG 529 Ca 0.00 -0.04 0.31 0.00 0.10 0.00 0.00 59.98 60.36 2ibi h ARG 529 Cb 1.33 -0.14 -0.05 0.00 1.11 0.00 0.00 29.97 32.22 2ibi h ARG 529 CO 0.19 0.42 0.78 1.49 0.10 0.00 0.00 179.97 182.95 2ibi h GLU 530 N 0.65 0.02 -0.00 0.08 4.81 -1.97 -2.46 114.58 115.71 2ibi h GLU 530 Ca 0.33 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2ibi h GLU 530 Cb 0.43 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2ibi h GLU 530 CO -0.12 0.02 -0.66 1.19 -0.73 0.00 0.00 179.01 178.71 2ibi n PHE 531 N -4.23 0.00 -2.21 0.92 3.72 -0.23 -4.96 117.46 110.47 2ibi n PHE 531 Ca 0.23 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.27 2ibi n PHE 531 Cb 1.14 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.68 2ibi n PHE 531 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ibi s ALA 532 N -2.44 2.89 0.03 4.37 0.00 -0.93 -0.34 121.76 125.33 2ibi s ALA 532 Ca 0.10 0.95 -0.17 0.00 0.00 0.00 0.00 51.96 52.84 2ibi s ALA 532 Cb 0.14 -3.40 -0.25 0.00 0.00 0.00 0.00 23.12 19.61 2ibi s ALA 532 CO 0.62 -0.76 1.12 0.66 0.00 0.00 0.00 175.76 177.40 2ibi h SER 533 N 1.78 0.71 -0.66 0.00 4.64 -1.64 -3.43 113.55 114.96 2ibi h SER 533 Ca -0.50 -0.77 -0.08 0.00 -0.47 0.00 0.00 61.79 59.97 2ibi h SER 533 Cb 1.26 -0.22 -0.16 0.00 -0.31 0.00 0.00 62.40 62.97 2ibi h SER 533 CO 0.59 1.40 -0.34 -0.70 -0.87 0.00 0.00 176.83 176.92 2ibi s GLU 534 N -3.17 0.71 0.93 4.77 2.12 -1.26 -5.06 118.70 117.74 2ibi s GLU 534 Ca -0.12 -0.69 -0.12 0.00 0.36 0.00 0.00 54.97 54.40 2ibi s GLU 534 Cb 0.05 -0.03 0.15 0.00 0.26 0.00 0.00 34.13 34.56 2ibi s GLU 534 CO 0.87 -0.87 1.10 1.21 -0.54 0.00 0.00 175.26 177.03 2ibi s ASN 535 N 0.94 3.23 -0.02 -1.70 3.04 -1.26 -5.16 114.94 114.01 2ibi s ASN 535 Ca 0.27 1.25 0.03 0.00 0.04 0.00 0.00 52.86 54.45 2ibi s ASN 535 Cb 0.05 -1.91 -0.05 0.00 -1.54 0.00 0.00 41.25 37.80 2ibi s ASN 535 CO -0.07 -2.76 0.06 0.35 -3.04 0.00 0.00 177.10 171.63 2ibi n THR 536 N -3.93 0.09 -3.68 -5.21 -2.24 -1.26 -5.12 114.28 92.92 2ibi n THR 536 Ca 0.06 -0.11 -0.39 0.00 -2.27 0.00 0.00 64.05 61.34 2ibi n THR 536 Cb 0.57 -0.08 -0.12 0.00 -2.10 0.00 0.00 70.33 68.60 2ibi n THR 536 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2ibi s HIS 538 N -2.19 3.26 -0.73 4.78 2.46 -1.26 -5.16 115.29 116.45 2ibi s HIS 538 Ca -0.01 -1.25 -0.11 0.00 0.47 0.00 0.00 55.06 54.16 2ibi s HIS 538 Cb 0.02 -2.39 0.19 0.00 -0.13 0.00 0.00 32.58 30.27 2ibi s HIS 538 CO 0.15 -0.71 0.63 0.00 -2.47 0.00 0.00 174.74 172.35 2ibi s ALA 539 N 1.46 3.87 -0.02 1.58 0.00 -1.26 -5.05 121.76 122.35 2ibi s ALA 539 Ca 0.00 -3.18 0.03 0.00 0.00 0.00 0.00 51.96 48.81 2ibi s ALA 539 Cb -0.20 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 2ibi s ALA 539 CO 0.04 -2.18 -0.12 0.08 0.00 0.00 0.00 175.76 173.58 2ibi s VAL 540 N 0.32 0.97 0.12 0.00 1.01 -1.26 -1.81 120.40 119.74 2ibi s VAL 540 Ca 0.15 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 61.72 2ibi s VAL 540 Cb -0.16 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 2ibi s VAL 540 CO -0.06 0.28 -0.22 -0.31 0.00 0.00 0.00 175.10 174.80 2ibi s TYR 541 N -0.12 1.89 0.02 5.22 2.02 -0.31 -1.20 117.35 124.88 2ibi s TYR 541 Ca 0.02 -0.42 0.05 0.00 -0.37 0.00 0.00 57.07 56.35 2ibi s TYR 541 Cb -0.07 -1.02 -0.03 0.00 -0.40 0.00 0.00 41.96 40.44 2ibi s TYR 541 CO 0.00 0.26 -0.12 -0.80 -1.57 0.00 0.00 175.55 173.31 2ibi s ASN 542 N -2.07 4.21 0.37 2.29 0.01 0.97 -0.87 114.94 119.86 2ibi s ASN 542 Ca 0.09 -0.29 -0.25 0.00 -0.71 0.00 0.00 52.86 51.70 2ibi s ASN 542 Cb -0.09 -0.84 -0.09 0.00 0.41 0.00 0.00 41.25 40.63 2ibi s ASN 542 CO 0.05 0.27 1.07 -0.22 -1.51 0.00 0.00 177.10 176.76 2ibi s LEU 543 N -1.45 4.23 0.00 0.60 2.96 0.13 -0.48 118.68 124.67 2ibi s LEU 543 Ca 0.16 2.12 0.00 0.00 -0.22 0.00 0.00 54.13 56.19 2ibi s LEU 543 Cb -0.11 -4.05 0.00 0.00 0.50 0.00 0.00 46.19 42.53 2ibi s LEU 543 CO 0.07 -0.44 0.00 0.00 -1.32 0.00 0.00 176.35 174.65 2ibi n TYR 544 N 0.21 0.00 -3.63 5.38 0.18 -0.27 -4.89 117.16 114.14 2ibi n TYR 544 Ca 0.04 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.68 2ibi n TYR 544 Cb 0.48 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.38 2ibi n TYR 544 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2ibi s ALA 545 N -0.12 -1.16 -0.04 -3.48 0.00 -1.17 -0.25 121.76 115.54 2ibi s ALA 545 Ca 0.00 0.50 -0.01 0.00 0.00 0.00 0.00 51.96 52.44 2ibi s ALA 545 Cb 0.00 0.31 0.03 0.00 0.00 0.00 0.00 23.12 23.46 2ibi s ALA 545 CO 0.00 -0.45 0.06 0.08 0.00 0.00 0.00 175.76 175.46 2ibi s VAL 546 N -2.25 -0.09 -0.21 0.00 1.01 -0.13 0.10 120.40 118.83 2ibi s VAL 546 Ca -0.07 0.29 -0.18 0.00 0.00 0.00 0.00 61.98 62.03 2ibi s VAL 546 Cb -0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.20 2ibi s VAL 546 CO -0.00 0.12 0.51 -0.55 0.00 0.00 0.00 175.10 175.17 2ibi s SER 547 N 1.53 6.52 -0.13 3.32 0.15 0.16 -0.88 113.70 124.37 2ibi s SER 547 Ca -0.04 0.63 -0.05 0.00 0.70 0.00 0.00 55.95 57.19 2ibi s SER 547 Cb -0.12 -2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 61.86 2ibi s SER 547 CO -0.04 -0.19 0.06 0.20 1.20 0.00 0.00 173.24 174.47 2ibi s ASN 548 N 1.22 5.67 -0.07 5.45 -0.87 0.28 -1.21 114.94 125.41 2ibi s ASN 548 Ca 0.23 0.20 0.02 0.00 -1.57 0.00 0.00 52.86 51.74 2ibi s ASN 548 Cb -0.15 -1.82 -0.02 0.00 -0.02 0.00 0.00 41.25 39.23 2ibi s ASN 548 CO 0.09 0.30 -0.14 -2.28 -2.57 0.00 0.00 177.10 172.51 2ibi s HIS 549 N -0.40 2.74 -0.07 2.20 2.46 0.54 -1.85 115.29 120.92 2ibi s HIS 549 Ca 0.09 -0.28 -0.00 0.00 0.47 0.00 0.00 55.06 55.34 2ibi s HIS 549 Cb -0.12 -1.69 0.03 0.00 -0.13 0.00 0.00 32.58 30.67 2ibi s HIS 549 CO 0.02 0.09 -0.02 0.45 -2.47 0.00 0.00 174.74 172.80 2ibi s SER 550 N -0.45 1.44 0.00 9.88 0.15 -0.79 -4.55 113.70 119.38 2ibi s SER 550 Ca 0.06 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.58 2ibi s SER 550 Cb -0.12 -0.50 0.00 0.00 -1.71 0.00 0.00 66.02 63.69 2ibi s SER 550 CO 0.02 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2ibi n GLY 551 N 4.74 0.49 2.76 9.45 0.00 -1.26 -0.36 105.19 121.00 2ibi n GLY 551 Ca -0.14 -1.32 -0.25 0.00 0.00 0.00 0.00 46.02 44.32 2ibi n GLY 551 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ibi n THR 552 N 1.41 0.00 0.27 2.61 -2.24 0.66 -4.99 114.28 112.02 2ibi n THR 552 Ca 0.00 -1.82 0.14 0.00 -2.27 0.00 0.00 64.05 60.10 2ibi n THR 552 Cb 0.00 0.36 0.77 0.00 -2.10 0.00 0.00 70.33 69.36 2ibi n THR 552 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2ibi h THR 553 N 1.19 0.44 0.00 4.28 1.35 -1.94 -3.18 112.91 115.05 2ibi h THR 553 Ca -0.32 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 2ibi h THR 553 Cb 0.97 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 2ibi h THR 553 CO 0.53 0.09 -0.89 0.23 -0.25 0.00 0.00 175.52 175.23 2ibi n MET 554 N -3.52 0.13 0.00 4.72 2.81 -1.26 -5.01 117.12 115.00 2ibi n MET 554 Ca -0.02 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 2ibi n MET 554 Cb 0.23 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 2ibi n MET 554 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ibi n GLY 555 N 1.44 1.76 0.00 3.03 0.00 -1.20 -5.02 105.19 105.20 2ibi n GLY 555 Ca 0.03 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2ibi n GLY 555 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ibi n GLY 556 N -0.42 -0.51 2.85 -0.02 0.00 -1.26 -0.24 105.19 105.58 2ibi n GLY 556 Ca 0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 2ibi n GLY 556 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2ibi s HIS 557 N -4.00 0.02 -0.09 1.61 5.65 0.52 -4.98 115.29 114.02 2ibi s HIS 557 Ca 0.00 0.03 -0.05 0.00 0.25 0.00 0.00 55.06 55.29 2ibi s HIS 557 Cb 0.00 -0.08 -0.04 0.00 -1.18 0.00 0.00 32.58 31.29 2ibi s HIS 557 CO 0.00 -0.03 0.13 0.71 -0.65 0.00 0.00 174.74 174.90 2ibi s TYR 558 N 0.29 3.52 0.32 3.88 2.02 -1.26 -1.89 117.35 124.23 2ibi s TYR 558 Ca -0.02 0.44 0.03 0.00 -0.37 0.00 0.00 57.07 57.15 2ibi s TYR 558 Cb -0.04 -1.89 -0.05 0.00 -0.40 0.00 0.00 41.96 39.59 2ibi s TYR 558 CO -0.01 0.68 0.10 0.95 -1.57 0.00 0.00 175.55 175.70 2ibi s THR 559 N -1.08 0.76 -0.02 -0.71 -4.23 -0.77 -4.69 115.64 104.91 2ibi s THR 559 Ca 0.17 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.73 2ibi s THR 559 Cb -0.12 -2.62 -0.01 0.00 1.34 0.00 0.00 72.50 71.09 2ibi s THR 559 CO 0.07 0.00 -0.14 0.00 -0.54 0.00 0.00 174.62 174.01 2ibi s ALA 560 N -3.47 1.21 -0.19 3.99 0.00 -0.44 -0.56 121.76 122.31 2ibi s ALA 560 Ca 0.34 -0.60 -0.08 0.00 0.00 0.00 0.00 51.96 51.62 2ibi s ALA 560 Cb 0.07 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 2ibi s ALA 560 CO 0.15 0.28 0.08 0.71 0.00 0.00 0.00 175.76 176.98 2ibi s TYR 561 N -0.24 3.28 -0.01 0.00 2.02 -0.06 0.03 117.35 122.38 2ibi s TYR 561 Ca 0.03 0.12 0.01 0.00 -0.37 0.00 0.00 57.07 56.87 2ibi s TYR 561 Cb -0.07 -2.12 0.00 0.00 -0.40 0.00 0.00 41.96 39.38 2ibi s TYR 561 CO -0.00 0.16 -0.04 0.00 -1.57 0.00 0.00 175.55 174.10 2ibi s ARG 563 N 0.06 3.79 0.03 0.00 3.52 0.65 -1.60 118.95 125.39 2ibi s ARG 563 Ca -0.00 -0.11 -0.36 0.00 -0.13 0.00 0.00 55.73 55.13 2ibi s ARG 563 Cb -0.03 -3.74 -0.15 0.00 -1.56 0.00 0.00 34.95 29.47 2ibi s ARG 563 CO -0.00 -0.45 1.58 0.45 -0.81 0.00 0.00 175.30 176.07 2ibi n SER 564 N 5.48 2.60 -4.63 -2.12 2.88 -0.41 -4.84 113.62 112.59 2ibi n SER 564 Ca -0.07 1.07 -0.48 0.00 -1.33 0.00 0.00 58.87 58.06 2ibi n SER 564 Cb 0.50 -1.30 -0.04 0.00 -0.75 0.00 0.00 64.21 62.62 2ibi n SER 564 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2ibi n PRO 565 N 4.02 1.64 0.00 -1.46 -0.02 -1.26 -1.31 135.00 136.60 2ibi n PRO 565 Ca 0.20 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2ibi n PRO 565 Cb 0.24 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 2ibi n PRO 565 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ibi n GLY 566 N 2.49 2.52 0.03 -1.23 0.00 -1.26 -4.80 105.19 102.93 2ibi n GLY 566 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 2ibi n GLY 566 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ibi n THR 567 N -1.85 0.13 -0.82 2.61 -1.04 -0.43 -4.96 114.28 107.93 2ibi n THR 567 Ca 0.00 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 2ibi n THR 567 Cb 0.00 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.50 2ibi n THR 567 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ibi n GLY 568 N 1.26 0.45 3.64 3.41 0.00 -1.22 -4.96 105.19 107.77 2ibi n GLY 568 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 2ibi n GLY 568 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ibi s GLU 569 N -0.61 4.07 -0.02 1.61 2.02 -1.26 -4.94 118.70 119.56 2ibi s GLU 569 Ca 0.00 -0.13 -0.09 0.00 0.02 0.00 0.00 54.97 54.78 2ibi s GLU 569 Cb 0.00 -3.58 -0.05 0.00 0.10 0.00 0.00 34.13 30.61 2ibi s GLU 569 CO 0.00 -0.05 0.28 -1.58 0.02 0.00 0.00 175.26 173.93 2ibi s TRP 570 N 1.38 3.62 0.06 1.61 0.52 -1.26 -1.29 118.94 123.57 2ibi s TRP 570 Ca 0.11 0.67 0.03 0.00 0.02 0.00 0.00 56.10 56.93 2ibi s TRP 570 Cb -0.15 -2.05 -0.03 0.00 -1.15 0.00 0.00 33.47 30.09 2ibi s TRP 570 CO 0.07 0.64 -0.09 -1.01 0.02 0.00 0.00 176.95 176.58 2ibi s HIS 571 N -1.20 0.83 -0.27 -1.98 3.76 -0.63 -1.61 115.29 114.20 2ibi s HIS 571 Ca 0.24 -0.55 -0.11 0.00 -0.15 0.00 0.00 55.06 54.49 2ibi s HIS 571 Cb -0.14 -0.48 -0.05 0.00 1.11 0.00 0.00 32.58 33.02 2ibi s HIS 571 CO 0.13 -0.05 0.21 0.99 -0.85 0.00 0.00 174.74 175.16 2ibi s THR 572 N -1.67 5.30 -0.35 1.30 2.01 0.17 -1.51 115.64 120.89 2ibi s THR 572 Ca -0.05 0.23 -0.09 0.00 0.31 0.00 0.00 61.69 62.09 2ibi s THR 572 Cb -0.08 -3.55 0.03 0.00 0.01 0.00 0.00 72.50 68.91 2ibi s THR 572 CO 0.00 0.26 0.15 -0.36 -0.69 0.00 0.00 174.62 173.98 2ibi s PHE 573 N 1.64 3.24 -0.49 4.92 0.08 0.10 -1.39 117.98 126.08 2ibi s PHE 573 Ca 0.08 -1.13 0.03 0.00 0.12 0.00 0.00 56.93 56.03 2ibi s PHE 573 Cb -0.15 -2.35 0.15 0.00 -0.57 0.00 0.00 43.02 40.09 2ibi s PHE 573 CO 0.09 -0.67 0.32 1.21 -0.10 0.00 0.00 175.22 176.08 2ibi s ASN 574 N 1.49 3.36 1.29 1.36 3.84 0.84 -1.32 114.94 125.80 2ibi s ASN 574 Ca 0.01 -3.00 0.00 0.00 0.21 0.00 0.00 52.86 50.07 2ibi s ASN 574 Cb -0.19 -1.01 0.00 0.00 -0.55 0.00 0.00 41.25 39.50 2ibi s ASN 574 CO 0.05 -0.20 0.00 0.47 -2.79 0.00 0.00 177.10 174.62 2ibi n ASP 575 N 3.02 0.00 0.00 -4.21 8.00 -1.26 -1.95 116.55 120.15 2ibi n ASP 575 Ca 0.16 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.76 2ibi n ASP 575 Cb 0.38 0.00 0.42 0.00 -0.02 0.00 0.00 41.12 41.90 2ibi n ASP 575 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2ibi n SER 576 N 6.57 0.03 -4.56 -2.24 3.41 -0.70 -0.99 113.62 115.13 2ibi n SER 576 Ca 0.00 0.51 -0.35 0.00 -0.26 0.00 0.00 58.87 58.77 2ibi n SER 576 Cb 0.00 -0.51 -0.11 0.00 -0.26 0.00 0.00 64.21 63.33 2ibi n SER 576 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2ibi s SER 577 N -3.05 5.39 -0.07 4.04 0.15 -0.82 -4.15 113.70 115.19 2ibi s SER 577 Ca 0.09 -0.03 0.04 0.00 0.70 0.00 0.00 55.95 56.75 2ibi s SER 577 Cb 0.13 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 62.51 2ibi s SER 577 CO 0.36 0.11 -0.19 -0.69 1.20 0.00 0.00 173.24 174.03 2ibi s VAL 578 N 0.75 1.68 -0.12 4.45 1.01 -1.26 -0.11 120.40 126.80 2ibi s VAL 578 Ca 0.03 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 2ibi s VAL 578 Cb -0.14 -1.46 0.04 0.00 0.00 0.00 0.00 36.38 34.82 2ibi s VAL 578 CO 0.02 0.48 0.29 0.28 0.00 0.00 0.00 175.10 176.16 2ibi s THR 579 N 0.32 -0.02 0.52 3.92 -1.32 -0.48 -4.96 115.64 113.61 2ibi s THR 579 Ca -0.13 0.08 -0.21 0.00 -1.21 0.00 0.00 61.69 60.21 2ibi s THR 579 Cb -0.16 -0.42 -0.06 0.00 -1.51 0.00 0.00 72.50 70.35 2ibi s THR 579 CO 0.06 0.03 1.21 -2.84 -2.21 0.00 0.00 174.62 170.87 2ibi s PRO 580 N 0.81 3.39 0.13 7.08 0.02 -1.26 0.41 135.00 145.57 2ibi s PRO 580 Ca -0.05 1.86 -0.02 0.00 0.02 0.00 0.00 61.00 62.80 2ibi s PRO 580 Cb -0.07 -2.20 -0.03 0.00 0.02 0.00 0.00 34.50 32.22 2ibi s PRO 580 CO -0.05 -0.88 0.09 0.00 -0.33 0.00 0.00 177.00 175.82 2ibi s MET 581 N -2.97 0.93 0.26 5.54 0.23 -0.63 -4.73 119.30 117.92 2ibi s MET 581 Ca 0.70 -1.36 0.00 0.00 -1.03 0.00 0.00 55.69 54.00 2ibi s MET 581 Cb -0.31 0.26 -0.04 0.00 -1.53 0.00 0.00 34.83 33.22 2ibi s MET 581 CO 0.36 -0.27 0.45 -1.54 -2.03 0.00 0.00 175.02 171.99 2ibi s SER 582 N -3.02 6.35 0.65 -1.18 1.04 -1.26 -4.23 113.70 112.04 2ibi s SER 582 Ca 0.21 0.38 0.43 0.00 0.48 0.00 0.00 55.95 57.45 2ibi s SER 582 Cb 0.07 -2.00 2.27 0.00 0.10 0.00 0.00 66.02 66.46 2ibi s SER 582 CO 0.00 -0.14 2.32 0.77 0.98 0.00 0.00 173.24 177.17 2ibi h SER 583 N 1.42 0.00 0.57 7.02 4.64 -1.94 -0.31 113.55 124.95 2ibi h SER 583 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2ibi h SER 583 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2ibi h SER 583 CO 0.64 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.07 2ibi n SER 584 N -3.11 0.00 -0.51 4.97 3.41 -1.26 -2.42 113.62 114.70 2ibi n SER 584 Ca -0.03 0.21 0.09 0.00 -0.26 0.00 0.00 58.87 58.88 2ibi n SER 584 Cb 0.10 -0.38 0.02 0.00 -0.26 0.00 0.00 64.21 63.70 2ibi n SER 584 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ibi n GLN 585 N -1.38 1.58 0.08 4.33 6.02 -0.13 -4.65 117.38 123.23 2ibi n GLN 585 Ca 0.08 -1.11 -0.07 0.00 -0.01 0.00 0.00 57.00 55.89 2ibi n GLN 585 Cb 0.21 -1.33 -0.07 0.00 1.02 0.00 0.00 30.24 30.07 2ibi n GLN 585 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 2ibi h VAL 586 N 2.52 1.63 -3.54 5.09 -1.51 -1.52 -3.43 116.25 115.49 2ibi h VAL 586 Ca 0.00 -3.12 -0.58 0.00 -1.23 0.00 0.00 66.70 61.77 2ibi h VAL 586 Cb 0.66 2.72 -0.08 0.00 -2.13 0.00 0.00 31.29 32.45 2ibi h VAL 586 CO 0.00 0.89 0.77 -0.13 -1.23 0.00 0.00 177.57 177.87 2ibi s ARG 587 N -2.89 3.82 0.19 5.19 0.52 -1.26 -4.94 118.95 119.58 2ibi s ARG 587 Ca -0.00 0.65 -0.03 0.00 -0.52 0.00 0.00 55.73 55.83 2ibi s ARG 587 Cb 0.10 -3.84 -0.03 0.00 0.52 0.00 0.00 34.95 31.70 2ibi s ARG 587 CO 0.82 -1.11 0.17 0.95 0.02 0.00 0.00 175.30 176.14 2ibi s THR 588 N 3.87 0.03 0.26 0.02 -4.23 -1.26 -5.03 115.64 109.30 2ibi s THR 588 Ca 0.43 -1.87 0.37 0.00 -1.18 0.00 0.00 61.69 59.44 2ibi s THR 588 Cb -0.10 -2.32 0.40 0.00 1.34 0.00 0.00 72.50 71.81 2ibi s THR 588 CO 0.23 -0.12 2.10 0.28 -0.54 0.00 0.00 174.62 176.57 2ibi h SER 589 N 2.62 0.00 1.05 3.99 0.02 -1.90 -3.11 113.55 116.22 2ibi h SER 589 Ca -0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2ibi h SER 589 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2ibi h SER 589 CO 0.52 0.00 -0.26 0.47 -1.14 0.00 0.00 176.83 176.42 2ibi n ASP 590 N -3.00 0.56 -4.61 3.07 8.00 -1.26 -4.76 116.55 114.54 2ibi n ASP 590 Ca -0.01 0.30 -0.57 0.00 0.71 0.00 0.00 54.79 55.23 2ibi n ASP 590 Cb 0.20 -0.29 -0.08 0.00 -0.02 0.00 0.00 41.12 40.94 2ibi n ASP 590 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ibi n ALA 591 N -1.70 0.10 -0.01 2.24 0.00 -1.18 -0.34 120.51 119.63 2ibi n ALA 591 Ca 0.05 0.27 -0.01 0.00 0.00 0.00 0.00 53.44 53.75 2ibi n ALA 591 Cb 0.40 -2.27 -0.01 0.00 0.00 0.00 0.00 19.45 17.57 2ibi n ALA 591 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2ibi n TYR 592 N 6.53 0.00 -4.96 0.00 9.36 -0.35 -4.88 117.16 122.86 2ibi n TYR 592 Ca 0.33 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 61.27 2ibi n TYR 592 Cb 0.13 -0.07 -0.16 0.00 -0.63 0.00 0.00 39.34 38.61 2ibi n TYR 592 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2ibi s LEU 593 N -5.20 1.99 -0.15 2.98 1.43 -0.91 -1.54 118.68 117.28 2ibi s LEU 593 Ca -0.03 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 2ibi s LEU 593 Cb 0.01 -1.06 -0.00 0.00 0.03 0.00 0.00 46.19 45.17 2ibi s LEU 593 CO 0.04 0.21 -0.16 -0.76 0.23 0.00 0.00 176.35 175.91 2ibi s LEU 594 N -0.21 2.43 -0.28 1.79 1.43 -0.33 -0.66 118.68 122.85 2ibi s LEU 594 Ca 0.01 -0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 52.55 2ibi s LEU 594 Cb -0.10 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 2ibi s LEU 594 CO 0.01 0.10 0.12 -0.36 0.23 0.00 0.00 176.35 176.45 2ibi s PHE 595 N 0.75 3.14 0.05 0.29 0.08 0.12 -0.86 117.98 121.54 2ibi s PHE 595 Ca -0.07 -0.44 0.06 0.00 0.12 0.00 0.00 56.93 56.61 2ibi s PHE 595 Cb -0.16 -2.31 -0.03 0.00 -0.57 0.00 0.00 43.02 39.95 2ibi s PHE 595 CO 0.01 -0.38 -0.14 0.71 -0.10 0.00 0.00 175.22 175.31 2ibi s TYR 596 N 1.63 2.65 0.07 0.36 2.02 -0.20 -1.11 117.35 122.77 2ibi s TYR 596 Ca 0.06 -0.20 0.09 0.00 -0.37 0.00 0.00 57.07 56.65 2ibi s TYR 596 Cb -0.16 -1.48 -0.03 0.00 -0.40 0.00 0.00 41.96 39.89 2ibi s TYR 596 CO 0.06 0.32 -0.24 -1.83 -1.57 0.00 0.00 175.55 172.28 2ibi s GLU 597 N -1.61 1.46 0.12 -0.62 -1.05 0.37 -0.94 118.70 116.44 2ibi s GLU 597 Ca 0.16 -1.12 -0.35 0.00 -0.15 0.00 0.00 54.97 53.52 2ibi s GLU 597 Cb -0.11 -1.71 -0.17 0.00 -0.44 0.00 0.00 34.13 31.71 2ibi s GLU 597 CO 0.07 0.42 1.17 1.28 0.95 0.00 0.00 175.26 179.16 2ibi n LEU 598 N 1.49 1.21 -4.81 1.83 4.77 -1.07 -0.02 117.00 120.40 2ibi n LEU 598 Ca -0.18 1.14 -0.38 0.00 -0.03 0.00 0.00 56.01 56.56 2ibi n LEU 598 Cb 0.53 -1.15 -0.06 0.00 -2.33 0.00 0.00 43.42 40.40 2ibi n LEU 598 CO 0.23 -1.39 0.09 0.00 -1.33 0.00 0.00 177.39 174.99 2ibi s ALA 599 N 0.01 3.66 0.00 -1.18 0.00 -0.34 -4.70 121.76 119.20 2ibi s ALA 599 Ca 0.79 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.48 2ibi s ALA 599 Cb -0.95 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2ibi s ALA 599 CO 0.51 0.36 0.00 -1.13 0.00 0.00 0.00 175.76 175.50