#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2woz n GLY 290 N 0.00 -1.12 3.27 -1.23 0.00 -1.26 -5.12 105.19 99.73 2woz n GLY 290 Ca 0.00 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 44.02 2woz n GLY 290 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2woz s TYR 291 N -3.53 1.77 0.22 1.61 1.51 -1.26 -5.05 117.35 112.62 2woz s TYR 291 Ca 0.68 -0.40 -0.08 0.00 -1.01 0.00 0.00 57.07 56.25 2woz s TYR 291 Cb -0.02 -1.00 0.17 0.00 -0.11 0.00 0.00 41.96 40.99 2woz s TYR 291 CO 0.47 0.16 1.82 -0.07 -1.11 0.00 0.00 175.55 176.82 2woz h LEU 292 N 4.38 1.05 -8.50 -1.29 3.38 -2.05 -3.44 115.31 108.85 2woz h LEU 292 Ca -0.45 -0.13 -0.45 0.00 0.09 0.00 0.00 57.88 56.95 2woz h LEU 292 Cb 1.17 -0.27 -0.21 0.00 0.09 0.00 0.00 40.66 41.44 2woz h LEU 292 CO 0.41 0.88 -0.79 0.20 0.09 0.00 0.00 178.44 179.23 2woz s ASN 293 N -6.21 1.93 -0.25 -0.43 0.01 -1.26 -5.08 114.94 103.64 2woz s ASN 293 Ca -0.13 -0.65 -0.02 0.00 -0.71 0.00 0.00 52.86 51.35 2woz s ASN 293 Cb 0.16 -0.07 -0.17 0.00 0.41 0.00 0.00 41.25 41.57 2woz s ASN 293 CO 0.82 -0.05 -0.20 0.47 -1.51 0.00 0.00 177.10 176.64 2woz n ASP 294 N 1.17 1.99 -4.09 -1.22 10.43 -1.26 -4.99 116.55 118.58 2woz n ASP 294 Ca -0.20 -0.01 -0.17 0.00 2.57 0.00 0.00 54.79 56.98 2woz n ASP 294 Cb 0.54 -0.53 -0.13 0.00 1.84 0.00 0.00 41.12 42.84 2woz n ASP 294 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 2woz s ILE 295 N -2.52 0.79 0.48 0.53 -4.36 -1.26 -5.15 121.20 109.72 2woz s ILE 295 Ca -0.35 -0.94 -0.19 0.00 -0.26 0.00 0.00 60.65 58.92 2woz s ILE 295 Cb 0.10 -0.77 -0.09 0.00 1.25 0.00 0.00 42.46 42.95 2woz s ILE 295 CO 0.59 -0.15 0.98 -2.16 0.24 0.00 0.00 174.94 174.45 2woz s PRO 296 N -1.21 4.00 0.39 0.37 0.04 -1.26 -5.08 135.00 132.25 2woz s PRO 296 Ca -0.03 1.08 -0.04 0.00 0.04 0.00 0.00 61.00 62.05 2woz s PRO 296 Cb -0.08 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 2woz s PRO 296 CO 0.01 -0.23 0.66 1.03 0.04 0.00 0.00 177.00 178.51 2woz s ARG 297 N -3.63 3.58 -0.29 4.56 0.52 -1.26 -5.07 118.95 117.37 2woz s ARG 297 Ca 0.61 0.05 -0.27 0.00 -0.52 0.00 0.00 55.73 55.60 2woz s ARG 297 Cb -0.11 -2.52 0.01 0.00 0.52 0.00 0.00 34.95 32.85 2woz s ARG 297 CO 0.23 0.01 0.97 -1.01 0.02 0.00 0.00 175.30 175.53 2woz s HIS 298 N -2.42 3.23 0.63 -0.53 3.76 -1.26 -5.04 115.29 113.66 2woz s HIS 298 Ca 0.45 1.17 -0.19 0.00 -0.15 0.00 0.00 55.06 56.34 2woz s HIS 298 Cb -0.10 -3.41 -0.02 0.00 1.11 0.00 0.00 32.58 30.16 2woz s HIS 298 CO 0.37 -0.61 1.31 0.41 -0.85 0.00 0.00 174.74 175.37 2woz n GLY 299 N 3.80 0.61 0.17 -2.22 0.00 -1.26 -4.97 105.19 101.32 2woz n GLY 299 Ca 0.09 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 46.05 2woz n GLY 299 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2woz n MET 300 N -1.75 1.09 -3.46 1.61 2.81 -1.26 -4.99 117.12 111.16 2woz n MET 300 Ca 0.15 -1.90 -0.21 0.00 -1.81 0.00 0.00 57.70 53.94 2woz n MET 300 Cb 0.47 -1.11 0.07 0.00 -0.71 0.00 0.00 33.22 31.95 2woz n MET 300 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2woz n PHE 301 N -0.85 -2.53 -5.05 2.03 3.01 -1.26 -4.92 117.46 107.89 2woz n PHE 301 Ca 0.09 0.90 -0.32 0.00 1.01 0.00 0.00 57.45 59.13 2woz n PHE 301 Cb 0.60 -4.63 -0.15 0.00 -0.01 0.00 0.00 39.48 35.28 2woz n PHE 301 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2woz s VAL 302 N -3.29 2.51 -0.06 -4.37 0.11 -1.26 -1.37 120.40 112.67 2woz s VAL 302 Ca 0.48 -0.88 0.02 0.00 -2.93 0.00 0.00 61.98 58.66 2woz s VAL 302 Cb -0.21 -1.98 0.02 0.00 -1.53 0.00 0.00 36.38 32.67 2woz s VAL 302 CO 0.65 0.56 -0.10 -0.54 -3.33 0.00 0.00 175.10 172.34 2woz s LYS 303 N -0.00 1.52 -0.20 1.54 -0.14 0.19 -4.95 119.74 117.71 2woz s LYS 303 Ca -0.06 -0.34 -0.29 0.00 -1.36 0.00 0.00 55.97 53.92 2woz s LYS 303 Cb -0.15 -1.31 -0.05 0.00 -1.68 0.00 0.00 37.83 34.64 2woz s LYS 303 CO 0.05 -0.02 2.02 -0.51 -0.76 0.00 0.00 175.35 176.13 2woz s ASP 304 N 0.79 5.83 0.10 2.83 1.01 -1.26 -1.06 116.67 124.91 2woz s ASP 304 Ca -0.12 1.88 0.04 0.00 0.71 0.00 0.00 52.55 55.06 2woz s ASP 304 Cb -0.15 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 2woz s ASP 304 CO 0.02 -1.67 -0.10 -0.76 0.21 0.00 0.00 175.17 172.87 2woz s LEU 305 N 6.97 2.40 -0.29 1.23 1.43 0.35 -4.94 118.68 125.83 2woz s LEU 305 Ca 0.91 -0.81 -0.21 0.00 -1.03 0.00 0.00 54.13 52.98 2woz s LEU 305 Cb -0.32 -0.33 -0.01 0.00 0.03 0.00 0.00 46.19 45.57 2woz s LEU 305 CO 0.35 -0.25 0.69 -0.63 0.23 0.00 0.00 176.35 176.74 2woz s ILE 306 N -2.40 4.90 -0.26 -0.59 1.01 0.15 -1.37 121.20 122.64 2woz s ILE 306 Ca 0.06 1.07 -0.13 0.00 0.00 0.00 0.00 60.65 61.64 2woz s ILE 306 Cb -0.03 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 2woz s ILE 306 CO 0.00 -0.12 0.30 -0.22 0.00 0.00 0.00 174.94 174.90 2woz s LEU 307 N 2.70 4.06 -0.34 2.97 0.20 0.18 0.03 118.68 128.47 2woz s LEU 307 Ca 0.28 0.21 -0.06 0.00 0.69 0.00 0.00 54.13 55.25 2woz s LEU 307 Cb -0.15 -2.31 0.04 0.00 -0.43 0.00 0.00 46.19 43.34 2woz s LEU 307 CO 0.11 -0.10 0.11 -0.76 -0.29 0.00 0.00 176.35 175.41 2woz s LEU 308 N 1.77 4.34 -0.21 -0.68 1.43 -0.28 -1.53 118.68 123.53 2woz s LEU 308 Ca 0.12 -1.16 -0.03 0.00 -1.03 0.00 0.00 54.13 52.04 2woz s LEU 308 Cb -0.15 -1.87 -0.00 0.00 0.03 0.00 0.00 46.19 44.19 2woz s LEU 308 CO 0.09 -0.33 -0.08 0.54 0.23 0.00 0.00 176.35 176.80 2woz s VAL 309 N 1.40 3.08 0.00 -1.59 0.11 -0.60 -0.89 120.40 121.90 2woz s VAL 309 Ca -0.02 -0.60 0.00 0.00 -2.93 0.00 0.00 61.98 58.44 2woz s VAL 309 Cb -0.20 -2.38 0.00 0.00 -1.53 0.00 0.00 36.38 32.28 2woz s VAL 309 CO 0.03 0.45 0.00 -0.46 -3.33 0.00 0.00 175.10 171.79 2woz n ASN 310 N 4.70 1.12 0.00 3.54 0.23 -0.91 -1.31 115.26 122.62 2woz n ASN 310 Ca -0.19 -0.62 0.14 0.00 -0.53 0.00 0.00 54.58 53.38 2woz n ASN 310 Cb 0.51 0.00 0.80 0.00 -2.08 0.00 0.00 39.78 39.01 2woz n ASN 310 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 2woz n ASP 311 N -1.16 0.00 -0.09 0.53 5.75 -1.26 -3.72 116.55 116.60 2woz n ASP 311 Ca 0.00 -0.74 -0.17 0.00 -0.01 0.00 0.00 54.79 53.87 2woz n ASP 311 Cb 0.00 -0.05 -0.08 0.00 -1.03 0.00 0.00 41.12 39.97 2woz n ASP 311 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2woz n THR 312 N -1.05 1.04 -3.49 2.12 -2.24 -1.25 -3.58 114.28 105.82 2woz n THR 312 Ca 0.19 -0.33 -0.11 0.00 -2.27 0.00 0.00 64.05 61.53 2woz n THR 312 Cb 0.11 -1.47 -0.02 0.00 -2.10 0.00 0.00 70.33 66.85 2woz n THR 312 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2woz s ALA 313 N -2.35 -1.44 -0.42 6.98 0.00 -1.24 -1.14 121.76 122.14 2woz s ALA 313 Ca -0.26 0.33 -0.13 0.00 0.00 0.00 0.00 51.96 51.90 2woz s ALA 313 Cb 0.08 0.86 0.05 0.00 0.00 0.00 0.00 23.12 24.11 2woz s ALA 313 CO 0.37 -0.77 0.30 0.00 0.00 0.00 0.00 175.76 175.67 2woz s ALA 314 N -3.77 3.42 -0.18 0.00 0.00 0.57 -2.14 121.76 119.66 2woz s ALA 314 Ca 0.02 -1.93 -0.04 0.00 0.00 0.00 0.00 51.96 50.00 2woz s ALA 314 Cb -0.01 -2.83 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 2woz s ALA 314 CO -0.11 -1.57 -0.01 0.08 0.00 0.00 0.00 175.76 174.14 2woz s VAL 315 N 1.59 3.97 0.05 0.00 1.01 -0.07 -0.72 120.40 126.24 2woz s VAL 315 Ca 0.04 -0.32 -0.25 0.00 0.00 0.00 0.00 61.98 61.44 2woz s VAL 315 Cb -0.22 -2.77 -0.06 0.00 0.00 0.00 0.00 36.38 33.34 2woz s VAL 315 CO 0.07 0.46 0.78 0.00 0.00 0.00 0.00 175.10 176.41 2woz s ALA 316 N 0.65 3.36 -0.05 5.51 0.00 0.18 -1.12 121.76 130.29 2woz s ALA 316 Ca -0.01 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.27 2woz s ALA 316 Cb -0.14 -3.01 0.01 0.00 0.00 0.00 0.00 23.12 19.98 2woz s ALA 316 CO 0.02 0.06 -0.09 -0.47 0.00 0.00 0.00 175.76 175.28 2woz s TYR 317 N -0.08 1.15 -0.50 0.00 5.04 0.10 -1.01 117.35 122.05 2woz s TYR 317 Ca 0.39 -0.38 -0.09 0.00 -2.44 0.00 0.00 57.07 54.55 2woz s TYR 317 Cb -0.21 -0.88 0.13 0.00 0.35 0.00 0.00 41.96 41.35 2woz s TYR 317 CO 0.23 -0.22 0.38 0.34 -1.34 0.00 0.00 175.55 174.94 2woz s ASP 318 N 0.64 5.72 0.48 4.32 -1.08 -0.07 -0.67 116.67 126.01 2woz s ASP 318 Ca -0.12 -2.04 0.18 0.00 -0.52 0.00 0.00 52.55 50.05 2woz s ASP 318 Cb -0.14 -2.01 1.16 0.00 -1.46 0.00 0.00 42.92 40.48 2woz s ASP 318 CO 0.02 -0.66 2.04 1.55 0.52 0.00 0.00 175.17 178.65 2woz h PRO 319 N 8.29 0.00 0.06 4.34 0.13 -1.94 0.29 132.00 143.17 2woz h PRO 319 Ca -0.18 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.72 2woz h PRO 319 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 2woz h PRO 319 CO 0.84 0.14 -1.06 0.52 -0.23 0.00 0.00 178.00 178.21 2woz h MET 320 N 0.00 0.24 -0.02 0.86 2.86 -1.96 -3.14 114.93 113.77 2woz h MET 320 Ca -0.00 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 2woz h MET 320 Cb 0.26 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.03 2woz h MET 320 CO 0.02 1.10 -0.05 0.39 1.06 0.00 0.00 176.91 179.43 2woz n GLU 321 N -3.58 1.78 -4.19 1.72 -0.58 -1.06 -4.98 120.64 109.75 2woz n GLU 321 Ca -0.06 -1.23 -0.33 0.00 -0.42 0.00 0.00 57.16 55.13 2woz n GLU 321 Cb 0.92 -1.47 -0.04 0.00 -0.57 0.00 0.00 31.44 30.27 2woz n GLU 321 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2woz n ASN 322 N 0.46 -1.53 -4.12 1.62 4.05 1.00 -4.96 115.26 111.77 2woz n ASN 322 Ca 0.16 -1.08 -0.17 0.00 0.45 0.00 0.00 54.58 53.94 2woz n ASN 322 Cb 0.44 -2.53 -0.12 0.00 1.23 0.00 0.00 39.78 38.79 2woz n ASN 322 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 2woz s GLU 323 N -6.93 0.74 0.17 1.20 -1.05 -0.99 -4.99 118.70 106.86 2woz s GLU 323 Ca 0.41 -0.82 0.11 0.00 -0.15 0.00 0.00 54.97 54.51 2woz s GLU 323 Cb -0.22 -0.68 -0.04 0.00 -0.44 0.00 0.00 34.13 32.74 2woz s GLU 323 CO 0.94 0.15 -0.24 0.00 0.95 0.00 0.00 175.26 177.06 2woz s TYR 325 N -1.50 0.63 -0.14 0.00 1.51 -0.18 -4.64 117.35 113.02 2woz s TYR 325 Ca 0.17 -0.92 -0.22 0.00 -1.01 0.00 0.00 57.07 55.09 2woz s TYR 325 Cb -0.08 -0.41 -0.03 0.00 -0.11 0.00 0.00 41.96 41.33 2woz s TYR 325 CO 0.08 -0.26 0.68 -1.17 -1.11 0.00 0.00 175.55 173.77 2woz s LEU 326 N -2.71 4.22 -0.21 -1.29 2.96 -0.03 -0.64 118.68 120.97 2woz s LEU 326 Ca 0.05 1.01 -0.13 0.00 -0.22 0.00 0.00 54.13 54.84 2woz s LEU 326 Cb 0.04 -3.00 -0.19 0.00 0.50 0.00 0.00 46.19 43.54 2woz s LEU 326 CO -0.06 -0.22 0.04 1.07 -1.32 0.00 0.00 176.35 175.85 2woz n THR 327 N 4.32 1.58 -3.64 3.68 5.66 0.11 -0.77 114.28 125.22 2woz n THR 327 Ca -0.01 -0.33 -0.15 0.00 -3.05 0.00 0.00 64.05 60.51 2woz n THR 327 Cb 0.50 -1.85 -0.08 0.00 -1.55 0.00 0.00 70.33 67.36 2woz n THR 327 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2woz s ALA 328 N -2.47 -1.40 0.68 1.79 0.00 -0.93 -4.83 121.76 114.61 2woz s ALA 328 Ca -0.31 1.23 -0.15 0.00 0.00 0.00 0.00 51.96 52.73 2woz s ALA 328 Cb 0.09 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.83 2woz s ALA 328 CO 0.61 -0.30 1.14 -0.51 0.00 0.00 0.00 175.76 176.69 2woz s LEU 329 N -0.57 3.36 -0.16 0.00 1.43 -1.26 -0.31 118.68 121.16 2woz s LEU 329 Ca -0.07 2.09 0.18 0.00 -1.03 0.00 0.00 54.13 55.30 2woz s LEU 329 Cb -0.03 -4.56 0.38 0.00 0.03 0.00 0.00 46.19 42.01 2woz s LEU 329 CO 0.05 -1.82 1.20 0.00 0.23 0.00 0.00 176.35 176.01 2woz n ALA 330 N -2.52 2.79 0.29 4.21 0.00 -0.29 -4.67 120.51 120.31 2woz n ALA 330 Ca 0.11 -1.92 0.14 0.00 0.00 0.00 0.00 53.44 51.77 2woz n ALA 330 Cb 0.52 -0.74 0.86 0.00 0.00 0.00 0.00 19.45 20.09 2woz n ALA 330 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2woz h GLU 331 N 1.39 0.00 -0.00 0.00 4.11 -1.61 -1.80 114.58 116.67 2woz h GLU 331 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.13 2woz h GLU 331 Cb 1.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.72 2woz h GLU 331 CO -0.00 0.03 -0.35 1.04 0.07 0.00 0.00 179.01 179.79 2woz n GLN 332 N -3.87 0.06 -2.52 1.06 3.00 -1.26 -4.87 117.38 108.97 2woz n GLN 332 Ca -0.03 -0.03 -0.43 0.00 -0.01 0.00 0.00 57.00 56.51 2woz n GLN 332 Cb 0.11 -1.50 -0.02 0.00 0.00 0.00 0.00 30.24 28.83 2woz n GLN 332 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2woz s ILE 333 N -2.96 4.44 0.31 5.09 -1.09 -0.68 -4.98 121.20 121.34 2woz s ILE 333 Ca 0.13 1.74 -0.30 0.00 -2.23 0.00 0.00 60.65 59.99 2woz s ILE 333 Cb 0.18 -4.12 -0.11 0.00 -1.58 0.00 0.00 42.46 36.83 2woz s ILE 333 CO 0.64 -0.09 1.57 -2.84 -1.23 0.00 0.00 174.94 172.99 2woz s PRO 334 N 2.90 4.11 0.22 2.79 0.02 -1.26 -4.21 135.00 139.57 2woz s PRO 334 Ca 0.52 2.59 -0.08 0.00 0.02 0.00 0.00 61.00 64.04 2woz s PRO 334 Cb -0.20 -3.01 0.31 0.00 0.02 0.00 0.00 34.50 31.61 2woz s PRO 334 CO 0.15 -0.62 1.76 0.07 -0.33 0.00 0.00 177.00 178.03 2woz h ARG 335 N 4.42 0.48 -5.18 5.54 -0.00 -1.94 -3.34 114.38 114.35 2woz h ARG 335 Ca -0.48 -0.03 -0.67 0.00 -0.00 0.00 0.00 59.98 58.81 2woz h ARG 335 Cb 1.22 -0.11 -0.16 0.00 -0.00 0.00 0.00 29.97 30.92 2woz h ARG 335 CO 0.76 0.31 -0.04 -0.80 -0.00 0.00 0.00 179.97 180.21 2woz s ASN 336 N -5.43 6.28 0.16 0.08 0.01 -1.26 -4.87 114.94 109.90 2woz s ASN 336 Ca -0.13 -0.38 -0.19 0.00 -0.71 0.00 0.00 52.86 51.45 2woz s ASN 336 Cb 0.17 -2.27 0.04 0.00 0.41 0.00 0.00 41.25 39.60 2woz s ASN 336 CO 0.75 -0.64 0.50 -1.38 -1.51 0.00 0.00 177.10 174.83 2woz s HIS 337 N 2.48 -0.28 0.24 2.20 -3.43 -1.25 -1.90 115.29 113.34 2woz s HIS 337 Ca 0.18 -0.01 0.10 0.00 -0.80 0.00 0.00 55.06 54.53 2woz s HIS 337 Cb -0.15 0.40 -0.04 0.00 -1.43 0.00 0.00 32.58 31.35 2woz s HIS 337 CO 0.16 -0.82 -0.11 -1.12 -2.00 0.00 0.00 174.74 170.85 2woz s SER 338 N -2.81 4.09 0.07 7.38 0.01 0.20 -4.86 113.70 117.78 2woz s SER 338 Ca 0.04 -0.75 0.02 0.00 1.31 0.00 0.00 55.95 56.57 2woz s SER 338 Cb 0.00 -0.60 -0.03 0.00 0.21 0.00 0.00 66.02 65.60 2woz s SER 338 CO -0.09 0.05 -0.08 -0.55 0.41 0.00 0.00 173.24 172.98 2woz s SER 339 N -3.29 1.06 -0.15 2.44 0.15 -1.26 -0.79 113.70 111.86 2woz s SER 339 Ca 0.28 -0.74 -0.24 0.00 0.70 0.00 0.00 55.95 55.95 2woz s SER 339 Cb -0.07 0.05 0.06 0.00 -1.71 0.00 0.00 66.02 64.35 2woz s SER 339 CO 0.16 -0.29 0.61 -0.51 1.20 0.00 0.00 173.24 174.41 2woz s ILE 340 N -2.25 0.01 -0.08 6.45 2.07 -0.68 -4.94 121.20 121.78 2woz s ILE 340 Ca -0.01 -0.05 0.04 0.00 -1.41 0.00 0.00 60.65 59.22 2woz s ILE 340 Cb -0.04 -0.89 -0.01 0.00 0.13 0.00 0.00 42.46 41.64 2woz s ILE 340 CO -0.01 -0.03 -0.20 -0.69 -1.91 0.00 0.00 174.94 172.10 2woz s VAL 341 N -0.37 2.50 0.52 4.00 1.01 -1.26 -1.04 120.40 125.76 2woz s VAL 341 Ca -0.05 -0.89 -0.21 0.00 0.00 0.00 0.00 61.98 60.82 2woz s VAL 341 Cb -0.03 -1.97 -0.06 0.00 0.00 0.00 0.00 36.38 34.33 2woz s VAL 341 CO 0.04 0.56 1.24 -0.89 0.00 0.00 0.00 175.10 176.05 2woz s THR 342 N -0.04 2.65 0.00 3.92 2.01 -0.34 -4.93 115.64 118.92 2woz s THR 342 Ca -0.06 0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.41 2woz s THR 342 Cb -0.15 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.14 2woz s THR 342 CO 0.05 -0.03 0.00 0.00 -0.69 0.00 0.00 174.62 173.95 2woz n GLN 343 N -0.96 0.00 -0.16 4.92 6.02 -1.26 -3.74 117.38 122.19 2woz n GLN 343 Ca 0.10 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.91 2woz n GLN 343 Cb 0.48 0.00 0.18 0.00 1.02 0.00 0.00 30.24 31.91 2woz n GLN 343 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2woz n GLN 344 N 0.00 -3.48 -1.92 -1.09 7.27 -1.26 -4.88 117.38 112.02 2woz n GLN 344 Ca 0.00 -0.87 -0.37 0.00 0.07 0.00 0.00 57.00 55.82 2woz n GLN 344 Cb 0.00 -1.18 0.04 0.00 2.41 0.00 0.00 30.24 31.51 2woz n GLN 344 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2woz n ASN 345 N -4.37 7.16 -4.54 1.69 3.02 -1.26 -4.96 115.26 112.01 2woz n ASN 345 Ca 0.08 -3.82 -0.41 0.00 -0.03 0.00 0.00 54.58 50.41 2woz n ASN 345 Cb 0.36 -0.97 -0.10 0.00 -0.61 0.00 0.00 39.78 38.47 2woz n ASN 345 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2woz s GLN 346 N -3.97 3.51 -0.20 3.52 -1.52 -1.25 -4.88 119.66 114.88 2woz s GLN 346 Ca 0.53 -0.50 -0.21 0.00 -1.95 0.00 0.00 55.36 53.23 2woz s GLN 346 Cb 0.44 -3.82 -0.03 0.00 -0.22 0.00 0.00 33.01 29.39 2woz s GLN 346 CO -0.33 -0.52 0.63 0.08 -0.25 0.00 0.00 175.29 174.90 2woz s VAL 347 N 1.93 5.02 0.06 1.09 1.01 -1.26 -1.20 120.40 127.06 2woz s VAL 347 Ca 0.10 1.18 0.06 0.00 0.00 0.00 0.00 61.98 63.32 2woz s VAL 347 Cb -0.17 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 2woz s VAL 347 CO 0.11 0.11 -0.13 -0.31 0.00 0.00 0.00 175.10 174.89 2woz s TYR 348 N 1.90 2.70 -0.07 5.22 1.51 -0.21 -1.76 117.35 126.65 2woz s TYR 348 Ca 0.29 -0.17 0.04 0.00 -1.01 0.00 0.00 57.07 56.22 2woz s TYR 348 Cb -0.16 -1.48 -0.00 0.00 -0.11 0.00 0.00 41.96 40.21 2woz s TYR 348 CO 0.10 0.34 -0.21 0.08 -1.11 0.00 0.00 175.55 174.76 2woz s VAL 349 N -1.04 1.73 -0.08 0.71 1.01 -0.75 -1.68 120.40 120.29 2woz s VAL 349 Ca 0.17 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.33 2woz s VAL 349 Cb -0.11 -1.49 -0.00 0.00 0.00 0.00 0.00 36.38 34.78 2woz s VAL 349 CO 0.09 0.49 -0.23 -0.69 0.00 0.00 0.00 175.10 174.76 2woz s VAL 350 N 0.15 1.94 -2.12 2.92 1.01 0.03 -1.37 120.40 122.96 2woz s VAL 350 Ca -0.09 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 60.92 2woz s VAL 350 Cb -0.14 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.56 2woz s VAL 350 CO 0.05 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2woz n GLY 351 N 3.40 -1.79 7.00 4.51 0.00 -1.03 0.62 105.19 117.90 2woz n GLY 351 Ca -0.19 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2woz n GLY 351 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2woz n GLY 352 N -0.36 0.27 3.35 -0.02 0.00 -0.80 -1.65 105.19 105.98 2woz n GLY 352 Ca 0.00 -0.88 0.02 0.00 0.00 0.00 0.00 46.02 45.16 2woz n GLY 352 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2woz s LEU 353 N 0.00 -0.25 0.00 0.99 0.20 -1.26 -4.28 118.68 114.08 2woz s LEU 353 Ca 0.00 0.35 0.00 0.00 0.69 0.00 0.00 54.13 55.17 2woz s LEU 353 Cb 0.00 1.30 0.00 0.00 -0.43 0.00 0.00 46.19 47.06 2woz s LEU 353 CO 0.00 -0.05 0.00 0.00 -0.29 0.00 0.00 176.35 176.01 2woz n TYR 354 N 4.41 0.00 -0.19 5.38 4.11 -1.26 -4.98 117.16 124.63 2woz n TYR 354 Ca -0.10 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 57.73 2woz n TYR 354 Cb 0.55 0.00 0.02 0.00 -0.00 0.00 0.00 39.34 39.91 2woz n TYR 354 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.86 176.47 2woz h VAL 355 N 0.00 1.21 0.00 -3.48 -1.51 -1.75 0.36 116.25 111.08 2woz h VAL 355 Ca 0.00 -0.62 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 2woz h VAL 355 Cb 0.00 0.64 0.00 0.00 -2.13 0.00 0.00 31.29 29.80 2woz h VAL 355 CO 0.00 0.24 0.00 -0.81 -1.23 0.00 0.00 177.57 175.77 2woz n PRO 363 N -4.55 0.00 -2.50 5.19 -0.05 -1.26 -5.10 135.00 126.73 2woz n PRO 363 Ca 0.02 0.00 -0.04 0.00 -0.05 0.00 0.00 63.50 63.43 2woz n PRO 363 Cb 0.14 0.00 -0.03 0.00 -0.05 0.00 0.00 33.50 33.55 2woz n PRO 363 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 175.50 175.34 2woz n LEU 364 N 0.00 -6.06 0.00 1.53 -0.00 -1.26 -4.84 117.00 106.38 2woz n LEU 364 Ca 0.00 1.92 0.00 0.00 -0.00 0.00 0.00 56.01 57.93 2woz n LEU 364 Cb 0.00 -3.07 0.00 0.00 -0.00 0.00 0.00 43.42 40.35 2woz n LEU 364 CO 0.00 -3.49 0.00 0.00 -0.00 0.00 0.00 177.39 173.90 2woz n GLN 365 N 1.34 0.71 -4.52 1.96 6.02 -1.26 -2.65 117.38 118.97 2woz n GLN 365 Ca -0.31 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.44 2woz n GLN 365 Cb 0.47 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.60 2woz n GLN 365 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2woz s SER 366 N -0.93 2.36 0.57 1.08 0.01 0.11 -4.06 113.70 112.84 2woz s SER 366 Ca 0.00 -0.55 -0.18 0.00 1.31 0.00 0.00 55.95 56.53 2woz s SER 366 Cb 0.00 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 2woz s SER 366 CO 0.00 0.12 1.13 -0.31 0.41 0.00 0.00 173.24 174.59 2woz s TYR 367 N -0.89 2.64 -0.06 2.43 1.51 0.01 -1.39 117.35 121.59 2woz s TYR 367 Ca 0.06 1.54 -0.01 0.00 -1.01 0.00 0.00 57.07 57.66 2woz s TYR 367 Cb -0.09 -3.28 0.03 0.00 -0.11 0.00 0.00 41.96 38.51 2woz s TYR 367 CO 0.02 -1.65 -0.00 0.12 -1.11 0.00 0.00 175.55 172.93 2woz s PHE 368 N -1.87 0.61 0.11 2.71 5.36 -1.26 -2.46 117.98 121.17 2woz s PHE 368 Ca 0.72 -0.13 0.09 0.00 -0.96 0.00 0.00 56.93 56.65 2woz s PHE 368 Cb -0.24 -0.73 -0.04 0.00 -0.34 0.00 0.00 43.02 41.68 2woz s PHE 368 CO 0.30 -0.29 -0.23 -0.06 -1.46 0.00 0.00 175.22 173.49 2woz s PHE 369 N 1.77 1.97 -0.04 10.12 0.40 -0.47 -1.54 117.98 130.19 2woz s PHE 369 Ca 0.02 -0.40 0.05 0.00 -0.60 0.00 0.00 56.93 55.99 2woz s PHE 369 Cb -0.13 -1.08 -0.01 0.00 0.51 0.00 0.00 43.02 42.32 2woz s PHE 369 CO -0.04 0.24 -0.19 -1.14 0.70 0.00 0.00 175.22 174.79 2woz s GLN 370 N -1.92 1.90 -0.06 0.44 0.74 0.40 -1.80 119.66 119.36 2woz s GLN 370 Ca 0.09 -0.68 -0.30 0.00 0.05 0.00 0.00 55.36 54.52 2woz s GLN 370 Cb -0.10 -1.67 -0.03 0.00 1.10 0.00 0.00 33.01 32.32 2woz s GLN 370 CO 0.05 0.30 1.11 -1.17 -0.55 0.00 0.00 175.29 175.03 2woz s LEU 371 N -0.08 4.28 -0.54 3.68 0.20 -0.72 0.13 118.68 125.64 2woz s LEU 371 Ca -0.02 1.71 -0.23 0.00 0.69 0.00 0.00 54.13 56.28 2woz s LEU 371 Cb -0.11 -3.56 0.04 0.00 -0.43 0.00 0.00 46.19 42.13 2woz s LEU 371 CO 0.02 -0.50 0.89 -0.62 -0.29 0.00 0.00 176.35 175.85 2woz s ASP 372 N 1.27 6.33 0.50 3.68 2.15 0.70 -4.56 116.67 126.75 2woz s ASP 372 Ca 0.53 -0.39 0.23 0.00 0.43 0.00 0.00 52.55 53.35 2woz s ASP 372 Cb -0.22 -2.42 1.33 0.00 -0.30 0.00 0.00 42.92 41.31 2woz s ASP 372 CO 0.21 -1.16 2.06 0.78 -0.17 0.00 0.00 175.17 176.89 2woz h ASN 373 N 9.25 0.00 -0.04 -0.34 2.35 -1.93 0.58 115.58 125.45 2woz h ASN 373 Ca -0.26 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.42 2woz h ASN 373 Cb 1.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.45 2woz h ASN 373 CO 1.06 0.13 -0.26 0.58 -1.65 0.00 0.00 177.43 177.29 2woz h VAL 374 N 0.00 1.48 0.00 2.81 2.07 -1.96 -3.33 116.25 117.32 2woz h VAL 374 Ca -0.00 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.74 2woz h VAL 374 Cb 0.31 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 2woz h VAL 374 CO 0.02 0.50 -0.91 -1.54 0.02 0.00 0.00 177.57 175.66 2woz n SER 375 N -4.49 0.64 -1.72 0.57 3.41 -1.13 -4.96 113.62 105.94 2woz n SER 375 Ca -0.09 -0.30 -0.21 0.00 -0.26 0.00 0.00 58.87 58.01 2woz n SER 375 Cb 0.48 0.69 -0.07 0.00 -0.26 0.00 0.00 64.21 65.05 2woz n SER 375 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2woz n SER 376 N -1.82 -5.56 -4.90 4.04 7.64 0.20 -5.00 113.62 108.22 2woz n SER 376 Ca 0.03 0.42 -0.34 0.00 1.01 0.00 0.00 58.87 59.99 2woz n SER 376 Cb 0.40 -4.82 -0.05 0.00 -1.01 0.00 0.00 64.21 58.73 2woz n SER 376 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2woz s GLU 377 N -3.98 3.52 -0.02 1.43 2.02 -1.22 -4.43 118.70 116.01 2woz s GLU 377 Ca 0.00 -0.20 -0.25 0.00 0.02 0.00 0.00 54.97 54.54 2woz s GLU 377 Cb 0.00 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 2woz s GLU 377 CO 0.00 0.64 0.77 -1.58 0.02 0.00 0.00 175.26 175.12 2woz s TRP 378 N -1.35 3.64 -0.20 1.61 0.52 -1.26 -0.22 118.94 121.68 2woz s TRP 378 Ca 0.29 1.40 -0.12 0.00 0.02 0.00 0.00 56.10 57.68 2woz s TRP 378 Cb -0.13 -2.87 -0.05 0.00 -1.15 0.00 0.00 33.47 29.27 2woz s TRP 378 CO 0.19 0.12 0.24 0.08 0.02 0.00 0.00 176.95 177.59 2woz s VAL 379 N 0.61 5.33 0.08 4.03 1.01 0.36 -4.93 120.40 126.88 2woz s VAL 379 Ca 0.41 0.39 -0.30 0.00 0.00 0.00 0.00 61.98 62.48 2woz s VAL 379 Cb -0.19 -3.57 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 2woz s VAL 379 CO 0.21 0.37 1.18 -0.83 0.00 0.00 0.00 175.10 176.03 2woz s GLY 380 N 0.67 2.49 0.39 4.51 0.00 -1.26 -0.45 107.32 113.66 2woz s GLY 380 Ca 0.13 0.84 0.07 0.00 0.00 0.00 0.00 44.72 45.76 2woz s GLY 380 CO 0.03 1.98 -0.01 1.08 0.00 0.00 0.00 173.10 176.18 2woz s LEU 381 N 0.85 2.82 -0.35 0.66 1.02 -0.59 -4.93 118.68 118.15 2woz s LEU 381 Ca 0.57 -1.33 -0.42 0.00 0.02 0.00 0.00 54.13 52.97 2woz s LEU 381 Cb -0.29 -0.90 -0.17 0.00 0.02 0.00 0.00 46.19 44.85 2woz s LEU 381 CO 0.30 -0.40 1.72 -2.65 0.02 0.00 0.00 176.35 175.35 2woz n PRO 382 N -0.92 0.79 -1.93 1.29 -0.02 -1.26 -4.57 135.00 128.38 2woz n PRO 382 Ca -0.05 0.29 -0.35 0.00 -2.02 0.00 0.00 63.50 61.37 2woz n PRO 382 Cb 0.66 -1.92 0.04 0.00 -0.02 0.00 0.00 33.50 32.26 2woz n PRO 382 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2woz s PRO 383 N 3.51 2.88 -0.01 0.52 0.04 -1.26 -4.69 135.00 135.99 2woz s PRO 383 Ca 1.01 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 63.48 2woz s PRO 383 Cb -1.20 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 31.33 2woz s PRO 383 CO 0.70 -1.25 1.96 -1.17 0.04 0.00 0.00 177.00 177.28 2woz s LEU 384 N -4.29 4.29 0.50 -3.56 1.98 -0.49 -4.84 118.68 112.27 2woz s LEU 384 Ca 0.75 2.51 0.19 0.00 -2.89 0.00 0.00 54.13 54.69 2woz s LEU 384 Cb -0.28 -3.53 1.05 0.00 0.66 0.00 0.00 46.19 44.09 2woz s LEU 384 CO 0.35 -1.16 1.54 -0.65 -1.89 0.00 0.00 176.35 174.54 2woz h PRO 385 N 11.05 0.00 -6.08 0.98 0.11 -1.92 -2.85 132.00 133.28 2woz h PRO 385 Ca -0.47 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 64.95 2woz h PRO 385 Cb 1.23 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.04 2woz h PRO 385 CO 0.95 0.00 -0.87 0.45 -0.21 0.00 0.00 178.00 178.32 2woz s SER 386 N -3.81 3.20 -0.26 -2.05 0.15 -1.26 -4.77 113.70 104.89 2woz s SER 386 Ca -0.02 -0.47 -0.22 0.00 0.70 0.00 0.00 55.95 55.94 2woz s SER 386 Cb 0.06 -0.81 -0.01 0.00 -1.71 0.00 0.00 66.02 63.54 2woz s SER 386 CO 0.18 0.26 0.72 0.00 1.20 0.00 0.00 173.24 175.59 2woz s ALA 387 N -0.25 3.61 -0.11 5.45 0.00 -1.09 -3.03 121.76 126.35 2woz s ALA 387 Ca -0.01 -0.34 -0.21 0.00 0.00 0.00 0.00 51.96 51.40 2woz s ALA 387 Cb -0.13 -3.15 0.05 0.00 0.00 0.00 0.00 23.12 19.88 2woz s ALA 387 CO 0.03 -0.91 0.52 0.50 0.00 0.00 0.00 175.76 175.90 2woz s ARG 388 N 2.68 0.76 0.25 0.00 3.52 -1.26 -1.38 118.95 123.51 2woz s ARG 388 Ca 0.30 0.38 0.01 0.00 -0.13 0.00 0.00 55.73 56.29 2woz s ARG 388 Cb -0.15 0.36 -0.05 0.00 -1.56 0.00 0.00 34.95 33.55 2woz s ARG 388 CO 0.09 -0.17 0.09 0.00 -0.81 0.00 0.00 175.30 174.49 2woz n LEU 390 N -0.44 -2.60 0.00 0.00 4.77 -1.26 -4.19 117.00 113.28 2woz n LEU 390 Ca -0.01 -0.83 -0.17 0.00 -0.03 0.00 0.00 56.01 54.97 2woz n LEU 390 Cb 0.66 -2.51 0.03 0.00 -2.33 0.00 0.00 43.42 39.26 2woz n LEU 390 CO 0.37 0.43 0.17 2.22 -1.33 0.00 0.00 177.39 179.26 2woz n PHE 391 N -4.52 -1.71 -4.42 -1.77 -1.74 -1.26 -1.99 117.46 100.04 2woz n PHE 391 Ca -0.08 -1.67 -0.25 0.00 -0.56 0.00 0.00 57.45 54.89 2woz n PHE 391 Cb 0.58 -0.38 -0.11 0.00 1.52 0.00 0.00 39.48 41.09 2woz n PHE 391 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 2woz s GLY 392 N -3.79 1.71 -0.11 4.97 0.00 -0.85 -4.87 107.32 104.38 2woz s GLY 392 Ca 0.36 -1.69 0.01 0.00 0.00 0.00 0.00 44.72 43.40 2woz s GLY 392 CO 0.23 -1.74 -0.14 1.08 0.00 0.00 0.00 173.10 172.52 2woz s LEU 393 N -2.93 1.67 0.00 0.66 1.43 -1.26 -0.93 118.68 117.32 2woz s LEU 393 Ca 0.23 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 2woz s LEU 393 Cb -0.07 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 45.08 2woz s LEU 393 CO 0.11 -0.00 0.08 0.61 0.23 0.00 0.00 176.35 177.37 2woz n GLY 394 N 4.32 3.44 3.59 -3.19 0.00 -0.14 -4.54 105.19 108.67 2woz n GLY 394 Ca -0.18 -2.20 -0.02 0.00 0.00 0.00 0.00 46.02 43.62 2woz n GLY 394 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2woz s GLU 395 N -3.50 0.37 -0.02 1.61 -6.30 -1.26 -1.66 118.70 107.94 2woz s GLU 395 Ca 0.11 0.70 0.01 0.00 -2.50 0.00 0.00 54.97 53.29 2woz s GLU 395 Cb 0.01 0.18 0.01 0.00 0.00 0.00 0.00 34.13 34.32 2woz s GLU 395 CO 0.08 -0.09 -0.03 0.54 0.02 0.00 0.00 175.26 175.78 2woz s VAL 396 N 1.63 0.30 -1.18 3.70 0.11 -0.80 -4.84 120.40 119.31 2woz s VAL 396 Ca -0.08 -0.07 -0.31 0.00 -2.93 0.00 0.00 61.98 58.59 2woz s VAL 396 Cb -0.04 -0.32 0.03 0.00 -1.53 0.00 0.00 36.38 34.52 2woz s VAL 396 CO -0.16 0.13 0.71 0.47 -3.33 0.00 0.00 175.10 172.92 2woz n ASP 397 N 3.57 -4.43 0.00 3.54 8.00 -1.26 -1.94 116.55 124.03 2woz n ASP 397 Ca -0.20 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.07 2woz n ASP 397 Cb 0.54 -2.03 0.00 0.00 -0.02 0.00 0.00 41.12 39.62 2woz n ASP 397 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2woz n ASP 398 N -2.27 0.00 -4.76 -2.24 10.43 -1.26 -4.97 116.55 111.48 2woz n ASP 398 Ca -0.11 0.00 -0.40 0.00 2.57 0.00 0.00 54.79 56.85 2woz n ASP 398 Cb 0.57 -0.26 -0.06 0.00 1.84 0.00 0.00 41.12 43.21 2woz n ASP 398 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2woz s LYS 399 N 0.00 4.72 -0.07 -1.24 1.02 -0.82 -4.56 119.74 118.80 2woz s LYS 399 Ca 0.00 1.35 0.01 0.00 0.02 0.00 0.00 55.97 57.35 2woz s LYS 399 Cb 0.00 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 33.99 2woz s LYS 399 CO 0.00 0.48 -0.09 -1.50 -0.92 0.00 0.00 175.35 173.33 2woz s ILE 400 N -0.95 3.55 -0.15 2.17 2.07 -0.53 -1.91 121.20 125.45 2woz s ILE 400 Ca 0.40 -0.53 0.02 0.00 -1.41 0.00 0.00 60.65 59.12 2woz s ILE 400 Cb -0.24 -2.44 0.01 0.00 0.13 0.00 0.00 42.46 39.91 2woz s ILE 400 CO 0.29 0.59 -0.20 -0.31 -1.91 0.00 0.00 174.94 173.41 2woz s TYR 401 N -0.75 2.71 -0.30 3.50 1.51 -0.67 0.97 117.35 124.33 2woz s TYR 401 Ca 0.11 -1.31 -0.09 0.00 -1.01 0.00 0.00 57.07 54.77 2woz s TYR 401 Cb -0.11 -1.85 -0.01 0.00 -0.11 0.00 0.00 41.96 39.88 2woz s TYR 401 CO 0.01 -0.61 0.13 0.08 -1.11 0.00 0.00 175.55 174.06 2woz s VAL 402 N 0.88 4.53 -0.19 0.71 1.01 0.18 -0.96 120.40 126.55 2woz s VAL 402 Ca -0.05 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 2woz s VAL 402 Cb -0.15 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 2woz s VAL 402 CO -0.03 0.11 -0.02 0.68 0.00 0.00 0.00 175.10 175.85 2woz s VAL 403 N 1.61 3.81 0.00 2.92 -7.23 -0.11 -1.25 120.40 120.16 2woz s VAL 403 Ca 0.05 -0.36 0.00 0.00 -1.81 0.00 0.00 61.98 59.85 2woz s VAL 403 Cb -0.17 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.06 2woz s VAL 403 CO 0.06 0.44 0.00 0.00 -0.31 0.00 0.00 175.10 175.29 2woz n ALA 404 N 4.21 0.00 0.00 1.32 0.00 -0.70 -2.01 120.51 123.33 2woz n ALA 404 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2woz n ALA 404 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2woz n ALA 404 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2woz n GLY 405 N 0.00 0.82 0.98 0.00 0.00 -0.89 -4.59 105.19 101.51 2woz n GLY 405 Ca 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.73 2woz n GLY 405 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2woz n LYS 406 N -0.97 0.00 -2.04 1.61 4.76 -1.10 0.12 118.16 120.55 2woz n LYS 406 Ca 0.00 0.08 -0.42 0.00 -2.87 0.00 0.00 58.31 55.10 2woz n LYS 406 Cb 0.00 -0.98 -0.03 0.00 -1.84 0.00 0.00 35.03 32.18 2woz n LYS 406 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2woz s ASP 407 N -2.49 6.69 0.40 4.39 -1.08 -0.20 -1.04 116.67 123.35 2woz s ASP 407 Ca 0.00 2.42 0.22 0.00 -0.52 0.00 0.00 52.55 54.67 2woz s ASP 407 Cb 0.00 -2.58 0.66 0.00 -1.46 0.00 0.00 42.92 39.55 2woz s ASP 407 CO 0.00 -0.79 1.72 -0.07 0.52 0.00 0.00 175.17 176.55 2woz h LEU 408 N 7.63 0.00 0.03 -1.34 3.38 -1.57 -1.10 115.31 122.34 2woz h LEU 408 Ca -0.42 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.38 2woz h LEU 408 Cb 1.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 2woz h LEU 408 CO 0.91 0.28 -0.91 -0.61 0.09 0.00 0.00 178.44 178.20 2woz h GLN 409 N 0.00 0.06 0.00 1.13 5.75 -1.91 -3.41 115.11 116.72 2woz h GLN 409 Ca -0.00 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 58.38 2woz h GLN 409 Cb 0.92 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.51 2woz h GLN 409 CO 0.04 1.05 -1.58 -2.37 -2.65 0.00 0.00 178.83 173.31 2woz n THR 410 N -4.37 0.37 -0.87 2.39 5.66 -1.24 -4.97 114.28 111.25 2woz n THR 410 Ca -0.24 -0.55 0.00 0.00 -3.05 0.00 0.00 64.05 60.22 2woz n THR 410 Cb 0.67 -0.20 0.00 0.00 -1.55 0.00 0.00 70.33 69.25 2woz n THR 410 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2woz n GLU 411 N -2.48 -0.20 -3.41 1.09 -0.58 -0.41 -5.02 120.64 109.62 2woz n GLU 411 Ca -0.04 0.05 -0.33 0.00 -0.42 0.00 0.00 57.16 56.42 2woz n GLU 411 Cb 0.60 -3.36 -0.05 0.00 -0.57 0.00 0.00 31.44 28.06 2woz n GLU 411 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2woz s ALA 412 N -2.56 3.58 0.41 0.62 0.00 -1.26 -4.68 121.76 117.87 2woz s ALA 412 Ca 0.00 -0.25 -0.25 0.00 0.00 0.00 0.00 51.96 51.47 2woz s ALA 412 Cb 0.00 -2.45 -0.08 0.00 0.00 0.00 0.00 23.12 20.59 2woz s ALA 412 CO 0.00 0.50 1.18 -1.12 0.00 0.00 0.00 175.76 176.32 2woz s SER 413 N -2.19 6.41 0.23 0.00 0.01 -1.26 -1.03 113.70 115.87 2woz s SER 413 Ca 0.45 2.37 0.11 0.00 1.31 0.00 0.00 55.95 60.19 2woz s SER 413 Cb -0.12 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.45 2woz s SER 413 CO 0.21 -0.76 -0.15 -0.76 0.41 0.00 0.00 173.24 172.19 2woz s LEU 414 N -2.61 2.74 0.00 2.44 1.43 0.33 -4.70 118.68 118.31 2woz s LEU 414 Ca 0.59 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 2woz s LEU 414 Cb -0.31 -1.35 0.00 0.00 0.03 0.00 0.00 46.19 44.56 2woz s LEU 414 CO 0.39 0.07 0.32 -0.90 0.23 0.00 0.00 176.35 176.46 2woz n ASP 415 N -0.29 0.65 -4.72 2.29 5.75 -1.26 -2.26 116.55 116.71 2woz n ASP 415 Ca -0.09 -0.85 -0.42 0.00 -0.01 0.00 0.00 54.79 53.43 2woz n ASP 415 Cb 0.58 0.25 -0.03 0.00 -1.03 0.00 0.00 41.12 40.89 2woz n ASP 415 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2woz s SER 416 N -0.25 6.86 -0.18 -1.12 0.15 -1.26 0.20 113.70 118.11 2woz s SER 416 Ca 0.00 2.31 0.00 0.00 0.70 0.00 0.00 55.95 58.96 2woz s SER 416 Cb 0.00 -2.59 0.01 0.00 -1.71 0.00 0.00 66.02 61.73 2woz s SER 416 CO 0.00 -0.61 -0.16 -0.69 1.20 0.00 0.00 173.24 172.98 2woz s VAL 417 N 0.92 2.47 -0.12 4.45 1.01 -1.26 -1.72 120.40 126.14 2woz s VAL 417 Ca 0.63 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 2woz s VAL 417 Cb -0.36 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 2woz s VAL 417 CO 0.32 0.51 -0.01 -0.76 0.00 0.00 0.00 175.10 175.16 2woz s LEU 418 N 1.17 3.48 -0.16 3.92 1.43 -0.38 -1.04 118.68 127.10 2woz s LEU 418 Ca 0.01 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.16 2woz s LEU 418 Cb -0.14 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.27 2woz s LEU 418 CO -0.07 0.27 -0.21 0.00 0.23 0.00 0.00 176.35 176.58 2woz s TYR 420 N 1.02 3.37 -0.36 0.00 5.04 0.27 -0.73 117.35 125.96 2woz s TYR 420 Ca -0.02 0.47 -0.12 0.00 -2.44 0.00 0.00 57.07 54.96 2woz s TYR 420 Cb -0.14 -2.39 0.01 0.00 0.35 0.00 0.00 41.96 39.78 2woz s TYR 420 CO -0.07 0.08 0.23 0.34 -1.34 0.00 0.00 175.55 174.79 2woz s ASP 421 N 0.90 5.89 0.32 4.32 2.15 0.23 -1.46 116.67 129.02 2woz s ASP 421 Ca 0.14 -0.71 0.26 0.00 0.43 0.00 0.00 52.55 52.67 2woz s ASP 421 Cb -0.14 -2.09 0.74 0.00 -0.30 0.00 0.00 42.92 41.13 2woz s ASP 421 CO 0.05 -0.32 1.74 1.55 -0.17 0.00 0.00 175.17 178.02 2woz h PRO 422 N 8.49 0.00 0.10 4.34 0.13 -1.86 0.11 132.00 143.30 2woz h PRO 422 Ca -0.29 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2woz h PRO 422 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2woz h PRO 422 CO 0.66 0.00 -0.05 0.28 -0.23 0.00 0.00 178.00 178.67 2woz h VAL 423 N 0.00 0.29 0.00 1.56 2.07 -1.94 -3.27 116.25 114.95 2woz h VAL 423 Ca 0.00 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2woz h VAL 423 Cb 0.75 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2woz h VAL 423 CO 0.00 0.09 0.00 0.00 0.02 0.00 0.00 177.57 177.68 2woz n ALA 424 N -2.73 2.01 -3.77 1.67 0.00 -1.25 -4.95 120.51 111.50 2woz n ALA 424 Ca -0.03 -0.09 -0.28 0.00 0.00 0.00 0.00 53.44 53.04 2woz n ALA 424 Cb 0.12 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 18.28 2woz n ALA 424 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2woz n ALA 425 N -1.30 -2.29 -3.40 0.00 0.00 0.31 -5.01 120.51 108.82 2woz n ALA 425 Ca 0.09 -0.23 -0.15 0.00 0.00 0.00 0.00 53.44 53.14 2woz n ALA 425 Cb 0.16 -2.92 -0.07 0.00 0.00 0.00 0.00 19.45 16.61 2woz n ALA 425 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2woz s LYS 426 N -6.15 0.84 0.24 0.00 2.20 -0.75 -4.83 119.74 111.28 2woz s LYS 426 Ca 0.24 0.17 -0.11 0.00 -0.36 0.00 0.00 55.97 55.91 2woz s LYS 426 Cb -0.08 0.39 -0.07 0.00 -1.51 0.00 0.00 37.83 36.55 2woz s LYS 426 CO 0.86 -0.23 0.58 -1.58 -0.36 0.00 0.00 175.35 174.62 2woz s TRP 427 N -0.99 3.44 0.18 4.03 0.52 -1.26 -0.60 118.94 124.25 2woz s TRP 427 Ca -0.10 0.96 -0.11 0.00 0.02 0.00 0.00 56.10 56.86 2woz s TRP 427 Cb -0.03 -2.32 -0.00 0.00 -1.15 0.00 0.00 33.47 29.97 2woz s TRP 427 CO 0.06 0.26 0.36 -1.54 0.02 0.00 0.00 176.95 176.10 2woz s SER 428 N -2.27 -0.04 -0.27 2.95 1.04 0.09 -4.97 113.70 110.24 2woz s SER 428 Ca 0.47 -0.79 -0.24 0.00 0.48 0.00 0.00 55.95 55.87 2woz s SER 428 Cb -0.11 0.48 -0.00 0.00 0.10 0.00 0.00 66.02 66.48 2woz s SER 428 CO 0.20 -0.95 0.81 -0.70 0.98 0.00 0.00 173.24 173.58 2woz s GLU 429 N -3.95 4.10 0.00 4.02 2.56 -1.26 -0.29 118.70 123.88 2woz s GLU 429 Ca 0.16 0.80 0.00 0.00 0.00 0.00 0.00 54.97 55.94 2woz s GLU 429 Cb 0.02 -3.67 0.00 0.00 2.00 0.00 0.00 34.13 32.47 2woz s GLU 429 CO 0.00 -0.58 0.00 1.33 -0.56 0.00 0.00 175.26 175.46 2woz n VAL 430 N 5.36 0.00 -1.68 3.70 0.24 -0.21 -4.96 118.33 120.79 2woz n VAL 430 Ca 0.05 0.00 -0.45 0.00 -2.04 0.00 0.00 64.34 61.90 2woz n VAL 430 Cb 0.48 -1.13 -0.04 0.00 -1.47 0.00 0.00 33.84 31.68 2woz n VAL 430 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2woz n LYS 431 N -0.75 2.37 -1.88 7.34 3.00 -1.26 -4.46 118.16 122.52 2woz n LYS 431 Ca 0.00 0.86 -0.39 0.00 -0.00 0.00 0.00 58.31 58.78 2woz n LYS 431 Cb 0.00 -2.68 0.02 0.00 0.00 0.00 0.00 35.03 32.37 2woz n LYS 431 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2woz s ASN 432 N 1.81 5.85 0.43 3.14 4.22 -1.26 -4.48 114.94 124.65 2woz s ASN 432 Ca 0.81 2.79 -0.25 0.00 -2.14 0.00 0.00 52.86 54.07 2woz s ASN 432 Cb -0.62 -2.64 -0.09 0.00 1.28 0.00 0.00 41.25 39.18 2woz s ASN 432 CO 0.39 -1.18 1.28 -0.11 -2.04 0.00 0.00 177.10 175.45 2woz n LEU 433 N -0.33 4.18 0.16 3.54 0.00 0.13 -4.85 117.00 119.83 2woz n LEU 433 Ca 0.06 1.10 0.12 0.00 0.00 0.00 0.00 56.01 57.28 2woz n LEU 433 Cb 0.43 -1.51 0.57 0.00 0.00 0.00 0.00 43.42 42.91 2woz n LEU 433 CO 0.56 -0.63 0.85 -2.65 0.00 0.00 0.00 177.39 175.52 2woz n PRO 434 N -0.05 0.16 -4.38 1.96 -0.02 -1.26 -4.71 135.00 126.71 2woz n PRO 434 Ca 0.07 0.57 -0.19 0.00 -2.02 0.00 0.00 63.50 61.92 2woz n PRO 434 Cb 0.40 -1.95 -0.10 0.00 -0.02 0.00 0.00 33.50 31.83 2woz n PRO 434 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2woz s ILE 435 N -3.49 1.71 -0.18 4.25 -4.36 -1.26 -5.13 121.20 112.74 2woz s ILE 435 Ca -0.00 -2.18 -0.12 0.00 -0.26 0.00 0.00 60.65 58.08 2woz s ILE 435 Cb 0.07 -2.20 -0.05 0.00 1.25 0.00 0.00 42.46 41.54 2woz s ILE 435 CO 0.27 -0.48 0.23 -0.54 0.24 0.00 0.00 174.94 174.66 2woz s LYS 436 N -3.67 4.23 -0.01 0.37 1.02 -1.26 -4.33 119.74 116.08 2woz s LYS 436 Ca 0.25 -0.03 -0.28 0.00 0.02 0.00 0.00 55.97 55.93 2woz s LYS 436 Cb 0.01 -3.43 0.07 0.00 -0.52 0.00 0.00 37.83 33.96 2woz s LYS 436 CO 0.09 0.25 0.64 0.54 -0.92 0.00 0.00 175.35 175.95 2woz s VAL 437 N 0.46 0.01 0.05 3.17 0.11 -0.96 -3.60 120.40 119.64 2woz s VAL 437 Ca 0.13 -0.05 -0.13 0.00 -2.93 0.00 0.00 61.98 59.00 2woz s VAL 437 Cb -0.12 -0.98 0.02 0.00 -1.53 0.00 0.00 36.38 33.77 2woz s VAL 437 CO 0.02 -0.02 0.29 -0.72 -3.33 0.00 0.00 175.10 171.33 2woz s TYR 438 N -1.72 -0.07 0.00 1.54 -0.85 -1.10 -2.10 117.35 113.04 2woz s TYR 438 Ca -0.09 -0.12 0.00 0.00 -0.52 0.00 0.00 57.07 56.35 2woz s TYR 438 Cb -0.00 0.08 0.00 0.00 0.38 0.00 0.00 41.96 42.42 2woz s TYR 438 CO 0.05 -0.52 0.00 0.41 -1.52 0.00 0.00 175.55 173.97 2woz n GLY 439 N 0.46 1.17 3.68 5.49 0.00 -0.84 -0.45 105.19 114.70 2woz n GLY 439 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 2woz n GLY 439 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2woz s HIS 440 N -3.02 1.92 0.21 1.61 -3.43 -1.26 -0.16 115.29 111.15 2woz s HIS 440 Ca 0.00 0.87 0.08 0.00 -0.80 0.00 0.00 55.06 55.21 2woz s HIS 440 Cb 0.00 -3.33 -0.05 0.00 -1.43 0.00 0.00 32.58 27.77 2woz s HIS 440 CO 0.00 -3.00 -0.14 1.21 -2.00 0.00 0.00 174.74 170.81 2woz s ASN 441 N -3.62 2.63 -0.01 7.38 3.84 -0.31 -4.64 114.94 120.21 2woz s ASN 441 Ca 0.66 -1.03 0.01 0.00 0.21 0.00 0.00 52.86 52.71 2woz s ASN 441 Cb -0.17 -0.15 0.01 0.00 -0.55 0.00 0.00 41.25 40.39 2woz s ASN 441 CO 0.57 -0.17 -0.03 -0.69 -2.79 0.00 0.00 177.10 173.99 2woz s VAL 442 N -2.95 0.29 0.06 -5.21 1.01 -1.26 -0.70 120.40 111.63 2woz s VAL 442 Ca 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.12 2woz s VAL 442 Cb -0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 2woz s VAL 442 CO 0.07 0.11 -0.04 0.27 0.00 0.00 0.00 175.10 175.51 2woz s ILE 443 N 0.26 0.34 -0.02 2.22 -5.25 -0.97 -4.55 121.20 113.23 2woz s ILE 443 Ca -0.03 -1.67 0.04 0.00 -0.99 0.00 0.00 60.65 58.01 2woz s ILE 443 Cb -0.06 -1.32 -0.03 0.00 2.95 0.00 0.00 42.46 44.00 2woz s ILE 443 CO -0.01 -0.86 -0.14 -0.44 -1.79 0.00 0.00 174.94 171.71 2woz s SER 444 N -2.66 4.07 -0.21 4.36 0.01 -1.26 -1.64 113.70 116.37 2woz s SER 444 Ca 0.04 -0.23 -0.16 0.00 1.31 0.00 0.00 55.95 56.90 2woz s SER 444 Cb 0.04 -0.83 0.06 0.00 0.21 0.00 0.00 66.02 65.49 2woz s SER 444 CO -0.07 0.32 0.55 -2.28 0.41 0.00 0.00 173.24 172.17 2woz s HIS 445 N -0.81 -0.69 -1.32 2.43 5.04 -0.67 -4.97 115.29 114.30 2woz s HIS 445 Ca 0.13 1.55 -0.21 0.00 -1.54 0.00 0.00 55.06 54.99 2woz s HIS 445 Cb -0.11 0.30 0.03 0.00 0.04 0.00 0.00 32.58 32.83 2woz s HIS 445 CO 0.02 -0.34 0.48 0.09 -2.34 0.00 0.00 174.74 172.65 2woz n ASN 446 N 3.37 -2.51 -0.39 9.88 3.02 -1.26 -0.85 115.26 126.52 2woz n ASN 446 Ca -0.17 -1.25 -0.05 0.00 -0.03 0.00 0.00 54.58 53.08 2woz n ASN 446 Cb 0.56 -1.90 -0.02 0.00 -0.61 0.00 0.00 39.78 37.81 2woz n ASN 446 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2woz n GLY 447 N -2.19 0.50 3.56 7.41 0.00 -1.26 -4.98 105.19 108.22 2woz n GLY 447 Ca -0.19 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 2woz n GLY 447 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2woz s MET 448 N -2.38 2.03 -0.12 1.61 -1.94 -0.03 -4.53 119.30 113.95 2woz s MET 448 Ca 0.00 -1.16 0.02 0.00 -1.71 0.00 0.00 55.69 52.84 2woz s MET 448 Cb 0.00 -2.21 -0.01 0.00 2.01 0.00 0.00 34.83 34.62 2woz s MET 448 CO 0.00 0.47 -0.18 0.42 -0.01 0.00 0.00 175.02 175.72 2woz s ILE 449 N -1.40 2.60 -0.10 2.53 1.01 -0.70 -1.67 121.20 123.47 2woz s ILE 449 Ca 0.22 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 60.05 2woz s ILE 449 Cb -0.10 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 2woz s ILE 449 CO 0.14 0.54 -0.10 -0.31 0.00 0.00 0.00 174.94 175.20 2woz s TYR 450 N 0.38 2.85 -0.13 3.97 2.02 -0.65 0.10 117.35 125.89 2woz s TYR 450 Ca -0.14 -0.30 0.02 0.00 -0.37 0.00 0.00 57.07 56.28 2woz s TYR 450 Cb -0.17 -1.78 0.00 0.00 -0.40 0.00 0.00 41.96 39.62 2woz s TYR 450 CO 0.07 0.05 -0.20 0.00 -1.57 0.00 0.00 175.55 173.90 2woz s LEU 452 N 0.66 2.03 0.00 0.00 1.02 0.12 -1.16 118.68 121.34 2woz s LEU 452 Ca -0.10 -0.22 0.00 0.00 0.02 0.00 0.00 54.13 53.83 2woz s LEU 452 Cb -0.16 -0.60 0.00 0.00 0.02 0.00 0.00 46.19 45.45 2woz s LEU 452 CO 0.02 0.14 0.00 0.61 0.02 0.00 0.00 176.35 177.14 2woz n GLY 453 N 2.76 1.24 0.00 -3.19 0.00 -0.92 -1.16 105.19 103.92 2woz n GLY 453 Ca -0.14 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2woz n GLY 453 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2woz n GLY 454 N 0.00 0.72 3.45 -0.02 0.00 0.94 -4.46 105.19 105.81 2woz n GLY 454 Ca 0.00 -2.20 -0.35 0.00 0.00 0.00 0.00 46.02 43.47 2woz n GLY 454 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2woz s LYS 455 N -1.08 3.62 0.78 1.61 1.02 0.41 -0.49 119.74 125.62 2woz s LYS 455 Ca 0.00 -0.51 -0.08 0.00 0.02 0.00 0.00 55.97 55.40 2woz s LYS 455 Cb 0.00 -3.12 0.12 0.00 -0.52 0.00 0.00 37.83 34.31 2woz s LYS 455 CO 0.00 -0.02 1.10 0.95 -0.92 0.00 0.00 175.35 176.46 2woz s THR 456 N 1.11 2.15 0.30 2.17 -4.23 -0.42 -2.73 115.64 114.00 2woz s THR 456 Ca 0.03 -0.27 0.38 0.00 -1.18 0.00 0.00 61.69 60.65 2woz s THR 456 Cb -0.14 -2.89 0.41 0.00 1.34 0.00 0.00 72.50 71.22 2woz s THR 456 CO 0.02 0.00 2.12 -0.78 -0.54 0.00 0.00 174.62 175.44 2woz h ASP 457 N -0.89 0.00 0.00 3.99 3.58 -1.88 -3.23 116.42 117.99 2woz h ASP 457 Ca -0.42 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.03 2woz h ASP 457 Cb 1.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.33 2woz h ASP 457 CO 0.49 0.00 0.00 -0.90 -2.88 0.00 0.00 179.24 175.95 2woz n ASP 458 N -3.07 0.00 -0.33 2.28 5.68 -1.26 -4.99 116.55 114.86 2woz n ASP 458 Ca -0.01 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.30 2woz n ASP 458 Cb 0.21 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.21 2woz n ASP 458 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2woz n LYS 459 N 0.00 0.28 -2.61 0.11 5.02 -1.22 -5.10 118.16 114.65 2woz n LYS 459 Ca 0.00 -1.14 -0.34 0.00 -2.02 0.00 0.00 58.31 54.81 2woz n LYS 459 Cb 0.00 -0.65 -0.04 0.00 -0.02 0.00 0.00 35.03 34.31 2woz n LYS 459 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2woz s LYS 460 N -0.42 3.95 0.56 1.97 1.02 -1.26 -4.78 119.74 120.78 2woz s LYS 460 Ca 0.04 1.33 -0.21 0.00 0.02 0.00 0.00 55.97 57.15 2woz s LYS 460 Cb 0.04 -2.17 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 2woz s LYS 460 CO 0.00 -0.30 1.27 0.00 -0.92 0.00 0.00 175.35 175.40 2woz s THR 462 N -1.45 3.16 -2.05 0.00 -1.32 0.36 -4.81 115.64 109.52 2woz s THR 462 Ca 0.73 -1.32 0.21 0.00 -1.21 0.00 0.00 61.69 60.10 2woz s THR 462 Cb -0.35 -2.45 0.58 0.00 -1.51 0.00 0.00 72.50 68.77 2woz s THR 462 CO 0.39 0.14 1.49 -0.46 -2.21 0.00 0.00 174.62 173.97 2woz n ASN 463 N 0.83 3.59 -4.80 8.08 2.04 -1.26 -3.20 115.26 120.54 2woz n ASN 463 Ca -0.14 -1.99 -0.35 0.00 -0.44 0.00 0.00 54.58 51.65 2woz n ASN 463 Cb 0.52 -0.43 -0.04 0.00 -2.53 0.00 0.00 39.78 37.30 2woz n ASN 463 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 2woz s ARG 464 N -1.14 3.96 -0.03 -3.83 0.52 -1.26 -1.94 118.95 115.22 2woz s ARG 464 Ca 0.45 1.38 0.01 0.00 -0.52 0.00 0.00 55.73 57.04 2woz s ARG 464 Cb 0.23 -2.24 0.02 0.00 0.52 0.00 0.00 34.95 33.49 2woz s ARG 464 CO 0.31 -0.29 -0.02 0.08 0.02 0.00 0.00 175.30 175.40 2woz s VAL 465 N -1.91 0.29 0.01 3.52 1.01 -1.26 -2.17 120.40 119.89 2woz s VAL 465 Ca 0.64 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.67 2woz s VAL 465 Cb -0.17 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 2woz s VAL 465 CO 0.21 0.16 -0.14 -0.36 0.00 0.00 0.00 175.10 174.98 2woz s PHE 466 N 0.89 1.20 -0.08 5.22 0.40 -0.31 0.40 117.98 125.70 2woz s PHE 466 Ca -0.10 -0.28 0.03 0.00 -0.60 0.00 0.00 56.93 55.99 2woz s PHE 466 Cb -0.13 -0.75 -0.02 0.00 0.51 0.00 0.00 43.02 42.63 2woz s PHE 466 CO -0.01 0.00 -0.17 -1.50 0.70 0.00 0.00 175.22 174.24 2woz s ILE 467 N -0.53 2.77 -0.25 0.64 2.07 0.16 -0.92 121.20 125.14 2woz s ILE 467 Ca 0.04 -0.80 -0.04 0.00 -1.41 0.00 0.00 60.65 58.44 2woz s ILE 467 Cb -0.06 -2.10 0.01 0.00 0.13 0.00 0.00 42.46 40.44 2woz s ILE 467 CO 0.00 0.56 -0.01 -0.47 -1.91 0.00 0.00 174.94 173.11 2woz s TYR 468 N -0.17 3.06 -0.40 3.50 5.04 0.29 -0.98 117.35 127.69 2woz s TYR 468 Ca -0.01 -1.15 -0.18 0.00 -2.44 0.00 0.00 57.07 53.28 2woz s TYR 468 Cb -0.14 -2.14 0.01 0.00 0.35 0.00 0.00 41.96 40.05 2woz s TYR 468 CO 0.03 -0.62 0.49 1.21 -1.34 0.00 0.00 175.55 175.33 2woz s ASN 469 N 1.43 6.25 0.50 4.32 3.04 -1.12 -1.72 114.94 127.64 2woz s ASN 469 Ca 0.03 -0.43 0.22 0.00 0.04 0.00 0.00 52.86 52.71 2woz s ASN 469 Cb -0.16 -2.25 1.29 0.00 -1.54 0.00 0.00 41.25 38.58 2woz s ASN 469 CO -0.02 -0.59 2.05 -0.65 -3.04 0.00 0.00 177.10 174.86 2woz h PRO 470 N 8.69 0.00 -0.01 0.43 0.11 -1.90 0.66 132.00 139.99 2woz h PRO 470 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2woz h PRO 470 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2woz h PRO 470 CO 0.80 0.14 -0.15 1.63 -0.21 0.00 0.00 178.00 180.21 2woz n LYS 471 N -3.97 1.12 0.00 1.05 5.02 -1.26 -3.79 118.16 116.32 2woz n LYS 471 Ca -0.02 -0.63 0.00 0.00 -2.02 0.00 0.00 58.31 55.64 2woz n LYS 471 Cb 0.22 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 2woz n LYS 471 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2woz n LYS 472 N -0.39 3.09 -2.00 1.97 2.85 -1.11 -5.07 118.16 117.49 2woz n LYS 472 Ca 0.15 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.36 2woz n LYS 472 Cb 0.34 -0.40 -0.00 0.00 -0.65 0.00 0.00 35.03 34.32 2woz n LYS 472 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2woz n GLY 473 N 0.59 0.23 3.43 2.58 0.00 0.23 -5.05 105.19 107.20 2woz n GLY 473 Ca 0.00 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 45.04 2woz n GLY 473 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2woz s ASP 474 N -2.80 3.52 -0.03 1.61 1.47 -1.22 -4.58 116.67 114.64 2woz s ASP 474 Ca 0.00 -0.78 -0.11 0.00 1.18 0.00 0.00 52.55 52.84 2woz s ASP 474 Cb 0.00 -0.32 -0.05 0.00 -0.34 0.00 0.00 42.92 42.21 2woz s ASP 474 CO 0.00 0.14 0.31 0.26 0.68 0.00 0.00 175.17 176.57 2woz s TRP 475 N -1.44 3.67 -0.03 2.11 0.52 -1.26 -2.77 118.94 119.73 2woz s TRP 475 Ca 0.19 0.80 0.04 0.00 0.02 0.00 0.00 56.10 57.15 2woz s TRP 475 Cb -0.09 -2.14 -0.00 0.00 -1.15 0.00 0.00 33.47 30.08 2woz s TRP 475 CO 0.09 0.66 -0.14 0.15 0.02 0.00 0.00 176.95 177.73 2woz s LYS 476 N -1.19 1.43 0.14 4.98 1.02 -0.15 -4.93 119.74 121.04 2woz s LYS 476 Ca 0.22 -0.50 -0.31 0.00 0.02 0.00 0.00 55.97 55.40 2woz s LYS 476 Cb -0.15 -1.29 -0.08 0.00 -0.52 0.00 0.00 37.83 35.79 2woz s LYS 476 CO 0.11 0.22 1.42 -0.51 -0.92 0.00 0.00 175.35 175.67 2woz s ASP 477 N 0.02 6.78 0.40 2.83 1.11 -1.26 0.39 116.67 126.93 2woz s ASP 477 Ca -0.02 2.40 0.06 0.00 0.18 0.00 0.00 52.55 55.17 2woz s ASP 477 Cb -0.10 -2.59 0.06 0.00 1.07 0.00 0.00 42.92 41.36 2woz s ASP 477 CO 0.01 -0.68 0.46 0.18 1.18 0.00 0.00 175.17 176.33 2woz n LEU 478 N 3.78 0.00 -4.69 1.23 4.77 0.16 -4.90 117.00 117.36 2woz n LEU 478 Ca 0.11 -1.85 -0.45 0.00 -0.03 0.00 0.00 56.01 53.79 2woz n LEU 478 Cb 0.42 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.27 2woz n LEU 478 CO 0.59 -0.59 1.31 0.00 -1.33 0.00 0.00 177.39 177.37 2woz n ALA 479 N -2.41 1.82 -1.57 -1.18 0.00 -1.26 -4.40 120.51 111.50 2woz n ALA 479 Ca -0.11 0.40 -0.33 0.00 0.00 0.00 0.00 53.44 53.40 2woz n ALA 479 Cb 0.43 -2.45 0.03 0.00 0.00 0.00 0.00 19.45 17.47 2woz n ALA 479 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2woz s PRO 480 N 1.55 2.98 0.80 0.00 0.04 -1.26 -4.64 135.00 134.46 2woz s PRO 480 Ca 0.80 1.37 -0.12 0.00 0.04 0.00 0.00 61.00 63.08 2woz s PRO 480 Cb -0.61 -1.98 0.08 0.00 0.04 0.00 0.00 34.50 32.04 2woz s PRO 480 CO 0.38 -1.10 1.14 0.00 0.04 0.00 0.00 177.00 177.45 2woz s MET 481 N -4.01 1.86 0.11 4.56 0.23 -0.82 -4.88 119.30 116.35 2woz s MET 481 Ca 0.67 1.45 -0.13 0.00 -1.03 0.00 0.00 55.69 56.65 2woz s MET 481 Cb -0.20 -1.83 -0.11 0.00 -1.53 0.00 0.00 34.83 31.16 2woz s MET 481 CO 0.39 -1.98 1.37 0.87 -2.03 0.00 0.00 175.02 173.64 2woz h LYS 482 N -1.09 0.83 -4.62 3.16 1.57 -1.97 -3.42 116.57 111.04 2woz h LYS 482 Ca -0.45 -0.57 -0.70 0.00 -1.87 0.00 0.00 60.65 57.07 2woz h LYS 482 Cb 1.26 0.08 -0.30 0.00 0.08 0.00 0.00 32.23 33.35 2woz h LYS 482 CO 0.48 1.19 -0.59 0.99 -0.57 0.00 0.00 179.45 180.95 2woz s THR 483 N -4.03 3.65 0.26 -0.16 2.01 -1.26 -5.07 115.64 111.04 2woz s THR 483 Ca -0.11 -1.37 -0.30 0.00 0.31 0.00 0.00 61.69 60.21 2woz s THR 483 Cb 0.09 -3.17 -0.11 0.00 0.01 0.00 0.00 72.50 69.32 2woz s THR 483 CO 0.89 -0.31 1.60 -2.84 -0.69 0.00 0.00 174.62 173.26 2woz s PRO 484 N 1.34 4.15 0.11 4.92 0.02 -1.26 -4.86 135.00 139.42 2woz s PRO 484 Ca 0.00 2.53 -0.16 0.00 0.02 0.00 0.00 61.00 63.39 2woz s PRO 484 Cb -0.21 -3.06 0.03 0.00 0.02 0.00 0.00 34.50 31.29 2woz s PRO 484 CO 0.01 -0.62 0.38 -0.98 -0.33 0.00 0.00 177.00 175.46 2woz s ARG 485 N -0.01 1.02 0.31 5.54 1.70 -1.19 -4.49 118.95 121.82 2woz s ARG 485 Ca 0.66 -0.67 0.03 0.00 -0.47 0.00 0.00 55.73 55.27 2woz s ARG 485 Cb -0.47 0.45 -0.05 0.00 -0.57 0.00 0.00 34.95 34.31 2woz s ARG 485 CO 0.43 -0.38 0.11 -1.54 -1.08 0.00 0.00 175.30 172.84 2woz s SER 486 N -2.67 1.74 -1.09 -2.89 1.04 -0.73 -0.04 113.70 109.05 2woz s SER 486 Ca 0.02 -1.48 -0.14 0.00 0.48 0.00 0.00 55.95 54.83 2woz s SER 486 Cb 0.02 0.23 -0.03 0.00 0.10 0.00 0.00 66.02 66.34 2woz s SER 486 CO -0.10 -0.78 0.85 0.23 0.98 0.00 0.00 173.24 174.41 2woz n MET 487 N -0.60 -1.65 -4.26 4.02 2.81 0.77 -1.70 117.12 116.50 2woz n MET 487 Ca -0.01 0.64 -0.16 0.00 -1.81 0.00 0.00 57.70 56.36 2woz n MET 487 Cb 0.66 -4.86 -0.09 0.00 -0.71 0.00 0.00 33.22 28.22 2woz n MET 487 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 2woz s PHE 488 N -3.42 1.46 0.07 2.03 -0.12 -1.26 0.51 117.98 117.24 2woz s PHE 488 Ca 0.47 -1.44 0.00 0.00 -0.05 0.00 0.00 56.93 55.91 2woz s PHE 488 Cb -0.12 -0.70 -0.04 0.00 -0.63 0.00 0.00 43.02 41.53 2woz s PHE 488 CO 0.81 -0.65 0.22 0.20 -0.05 0.00 0.00 175.22 175.74 2woz s GLY 489 N -3.28 2.13 -0.06 1.99 0.00 -0.93 -4.75 107.32 102.42 2woz s GLY 489 Ca 0.38 -0.86 -0.08 0.00 0.00 0.00 0.00 44.72 44.17 2woz s GLY 489 CO 0.18 -0.85 0.20 0.54 0.00 0.00 0.00 173.10 173.17 2woz s VAL 490 N -1.54 0.02 0.13 1.40 0.11 -1.26 -1.92 120.40 117.34 2woz s VAL 490 Ca 0.35 -0.13 -0.20 0.00 -2.93 0.00 0.00 61.98 59.08 2woz s VAL 490 Cb -0.13 -0.33 0.05 0.00 -1.53 0.00 0.00 36.38 34.44 2woz s VAL 490 CO 0.28 -0.07 0.50 0.00 -3.33 0.00 0.00 175.10 172.48 2woz s ALA 491 N -0.18 -1.25 -0.12 1.54 0.00 -0.82 -4.40 121.76 116.53 2woz s ALA 491 Ca -0.03 0.26 -0.22 0.00 0.00 0.00 0.00 51.96 51.97 2woz s ALA 491 Cb -0.03 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 2woz s ALA 491 CO 0.01 -0.67 0.66 0.42 0.00 0.00 0.00 175.76 176.17 2woz s ILE 492 N -3.59 5.04 -0.18 0.00 -1.09 -1.26 -0.98 121.20 119.14 2woz s ILE 492 Ca 0.01 1.32 -0.04 0.00 -2.23 0.00 0.00 60.65 59.71 2woz s ILE 492 Cb 0.00 -3.99 0.08 0.00 -1.58 0.00 0.00 42.46 36.97 2woz s ILE 492 CO -0.11 0.20 0.16 -2.28 -1.23 0.00 0.00 174.94 171.68 2woz s HIS 493 N 1.20 -0.05 -0.02 3.97 2.46 -0.12 -4.58 115.29 118.16 2woz s HIS 493 Ca 0.34 -0.02 -0.02 0.00 0.47 0.00 0.00 55.06 55.82 2woz s HIS 493 Cb -0.17 -0.52 0.00 0.00 -0.13 0.00 0.00 32.58 31.77 2woz s HIS 493 CO 0.14 -0.55 0.03 0.36 -2.47 0.00 0.00 174.74 172.25 2woz n LYS 494 N 5.30 -0.13 -3.28 2.88 2.85 -1.26 -1.01 118.16 123.51 2woz n LYS 494 Ca -0.06 0.20 -0.46 0.00 -1.05 0.00 0.00 58.31 56.93 2woz n LYS 494 Cb 0.49 -0.26 -0.01 0.00 -0.65 0.00 0.00 35.03 34.60 2woz n LYS 494 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2woz s GLY 495 N -0.24 2.76 0.05 2.58 0.00 -1.26 -5.01 107.32 106.20 2woz s GLY 495 Ca 0.02 -3.43 0.06 0.00 0.00 0.00 0.00 44.72 41.37 2woz s GLY 495 CO 0.04 1.38 -0.18 0.54 0.00 0.00 0.00 173.10 174.87 2woz s LYS 496 N 0.01 1.14 -0.48 2.90 1.02 -0.18 -2.54 119.74 121.62 2woz s LYS 496 Ca 0.24 -0.91 -0.24 0.00 0.02 0.00 0.00 55.97 55.07 2woz s LYS 496 Cb -0.09 -1.24 0.03 0.00 -0.52 0.00 0.00 37.83 36.01 2woz s LYS 496 CO -0.08 0.30 0.88 0.42 -0.92 0.00 0.00 175.35 175.95 2woz s ILE 497 N -0.91 4.52 -0.15 2.17 1.01 -0.22 -0.94 121.20 126.67 2woz s ILE 497 Ca 0.04 0.52 -0.14 0.00 0.00 0.00 0.00 60.65 61.07 2woz s ILE 497 Cb -0.09 -4.42 -0.05 0.00 0.01 0.00 0.00 42.46 37.92 2woz s ILE 497 CO 0.02 -0.86 0.31 -0.69 0.00 0.00 0.00 174.94 173.72 2woz s VAL 498 N 3.63 5.29 -0.03 2.92 1.01 -0.15 -0.54 120.40 132.52 2woz s VAL 498 Ca 0.33 0.59 0.07 0.00 0.00 0.00 0.00 61.98 62.96 2woz s VAL 498 Cb -0.11 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 2woz s VAL 498 CO 0.23 0.39 -0.25 0.27 0.00 0.00 0.00 175.10 175.75 2woz s ILE 499 N 0.41 1.97 -0.08 2.22 -4.36 0.29 -1.94 121.20 119.70 2woz s ILE 499 Ca 0.17 -1.05 -0.01 0.00 -0.26 0.00 0.00 60.65 59.51 2woz s ILE 499 Cb -0.13 -1.64 0.03 0.00 1.25 0.00 0.00 42.46 41.96 2woz s ILE 499 CO 0.05 0.55 -0.02 0.00 0.24 0.00 0.00 174.94 175.76 2woz s ALA 500 N -0.43 0.87 0.00 2.27 0.00 -0.81 -1.08 121.76 122.59 2woz s ALA 500 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.77 2woz s ALA 500 Cb -0.11 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.25 2woz s ALA 500 CO 0.01 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.77 2woz n GLY 501 N 4.98 1.34 0.00 0.00 0.00 0.86 -2.20 105.19 110.17 2woz n GLY 501 Ca -0.10 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2woz n GLY 501 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2woz n GLY 502 N 0.00 0.70 3.85 -0.02 0.00 0.23 -4.75 105.19 105.21 2woz n GLY 502 Ca 0.00 -2.23 -0.37 0.00 0.00 0.00 0.00 46.02 43.42 2woz n GLY 502 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2woz s VAL 503 N -0.79 5.16 0.41 1.61 0.11 -0.69 -0.79 120.40 125.42 2woz s VAL 503 Ca 0.00 0.59 0.04 0.00 -2.93 0.00 0.00 61.98 59.68 2woz s VAL 503 Cb 0.00 -3.63 -0.02 0.00 -1.53 0.00 0.00 36.38 31.20 2woz s VAL 503 CO 0.00 0.51 0.14 0.42 -3.33 0.00 0.00 175.10 172.84 2woz s THR 504 N -1.15 0.57 -0.88 5.04 -4.23 0.51 -1.77 115.64 113.72 2woz s THR 504 Ca 0.24 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 2woz s THR 504 Cb -0.15 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.35 2woz s THR 504 CO 0.13 0.00 0.95 -0.62 -0.54 0.00 0.00 174.62 174.53 2woz n GLU 505 N -0.91 0.00 -0.07 3.99 1.02 -1.26 -0.44 120.64 122.97 2woz n GLU 505 Ca -0.06 0.44 0.02 0.00 -0.02 0.00 0.00 57.16 57.55 2woz n GLU 505 Cb 0.65 -1.56 0.06 0.00 -0.02 0.00 0.00 31.44 30.57 2woz n GLU 505 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2woz n ASP 506 N -1.45 2.35 0.00 1.62 -0.08 -1.26 -5.10 116.55 112.63 2woz n ASP 506 Ca -0.00 -1.96 0.00 0.00 -1.51 0.00 0.00 54.79 51.32 2woz n ASP 506 Cb 0.06 -0.10 0.00 0.00 2.34 0.00 0.00 41.12 43.42 2woz n ASP 506 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2woz n GLY 507 N -0.05 0.23 3.74 0.27 0.00 0.42 -4.93 105.19 104.88 2woz n GLY 507 Ca 0.05 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 2woz n GLY 507 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2woz n LEU 508 N 0.00 4.35 -4.28 0.99 4.32 -1.26 -0.37 117.00 120.75 2woz n LEU 508 Ca 0.00 1.14 -0.25 0.00 -0.02 0.00 0.00 56.01 56.88 2woz n LEU 508 Cb 0.00 -1.59 -0.13 0.00 -1.62 0.00 0.00 43.42 40.08 2woz n LEU 508 CO 0.00 0.16 -0.52 -0.55 -1.22 0.00 0.00 177.39 175.26 2woz s SER 509 N 0.55 2.59 0.00 -1.43 0.15 0.03 -4.84 113.70 110.75 2woz s SER 509 Ca 0.65 -0.64 0.10 0.00 0.70 0.00 0.00 55.95 56.76 2woz s SER 509 Cb -0.49 -0.17 0.19 0.00 -1.71 0.00 0.00 66.02 63.84 2woz s SER 509 CO 0.47 0.10 1.06 0.00 1.20 0.00 0.00 173.24 176.08 2woz n ALA 510 N 1.32 2.29 -1.90 5.45 0.00 -1.26 -1.91 120.51 124.49 2woz n ALA 510 Ca -0.19 -0.91 -0.42 0.00 0.00 0.00 0.00 53.44 51.92 2woz n ALA 510 Cb 0.53 -0.36 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 2woz n ALA 510 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2woz s SER 511 N -0.93 6.57 -0.22 0.00 0.15 -1.26 -0.15 113.70 117.86 2woz s SER 511 Ca 0.17 2.66 -0.01 0.00 0.70 0.00 0.00 55.95 59.47 2woz s SER 511 Cb 0.10 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 61.82 2woz s SER 511 CO 0.13 -0.82 -0.12 -0.69 1.20 0.00 0.00 173.24 172.95 2woz s VAL 512 N 0.86 2.59 0.26 4.45 1.01 -1.26 -0.10 120.40 128.22 2woz s VAL 512 Ca 0.68 -0.94 0.11 0.00 0.00 0.00 0.00 61.98 61.83 2woz s VAL 512 Cb -0.44 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 2woz s VAL 512 CO 0.34 0.36 -0.11 -1.61 0.00 0.00 0.00 175.10 174.09 2woz s GLU 513 N 1.32 1.97 -0.06 2.72 2.02 -0.24 -1.36 118.70 125.07 2woz s GLU 513 Ca 0.02 -1.57 -0.03 0.00 0.02 0.00 0.00 54.97 53.42 2woz s GLU 513 Cb -0.15 -1.97 0.04 0.00 0.10 0.00 0.00 34.13 32.14 2woz s GLU 513 CO -0.08 0.36 0.15 0.00 0.02 0.00 0.00 175.26 175.71 2woz s ALA 514 N -2.33 -0.27 -0.36 5.21 0.00 0.10 -0.55 121.76 123.56 2woz s ALA 514 Ca 0.30 0.66 -0.14 0.00 0.00 0.00 0.00 51.96 52.78 2woz s ALA 514 Cb -0.06 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 2woz s ALA 514 CO 0.17 -0.15 0.26 0.12 0.00 0.00 0.00 175.76 176.16 2woz s PHE 515 N 1.08 3.23 -0.19 0.00 2.19 0.29 -0.25 117.98 124.34 2woz s PHE 515 Ca -0.08 -0.32 -0.28 0.00 0.33 0.00 0.00 56.93 56.58 2woz s PHE 515 Cb -0.11 -2.52 -0.00 0.00 -1.31 0.00 0.00 43.02 39.08 2woz s PHE 515 CO -0.05 -0.43 0.96 0.34 1.83 0.00 0.00 175.22 177.86 2woz s ASP 516 N 1.71 7.06 0.00 6.13 -1.08 0.30 -1.06 116.67 129.74 2woz s ASP 516 Ca 0.06 1.32 0.00 0.00 -0.52 0.00 0.00 52.55 53.41 2woz s ASP 516 Cb -0.18 -2.51 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 2woz s ASP 516 CO 0.10 -0.53 0.94 0.18 0.52 0.00 0.00 175.17 176.38 2woz n LEU 517 N 5.72 2.82 0.00 -1.34 4.77 -1.05 -1.85 117.00 126.07 2woz n LEU 517 Ca 0.09 -1.41 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 2woz n LEU 517 Cb 0.47 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2woz n LEU 517 CO 0.50 0.47 0.00 0.29 -1.33 0.00 0.00 177.39 177.33 2woz n LYS 518 N 0.51 0.00 0.20 3.23 4.76 -1.26 -4.98 118.16 120.63 2woz n LYS 518 Ca 0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 2woz n LYS 518 Cb 0.47 0.00 0.32 0.00 -1.84 0.00 0.00 35.03 33.99 2woz n LYS 518 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2woz h THR 519 N 0.00 0.00 -3.44 -0.18 1.35 -1.77 -3.46 112.91 105.41 2woz h THR 519 Ca 0.00 -0.77 -0.61 0.00 -0.55 0.00 0.00 66.41 64.48 2woz h THR 519 Cb 0.00 1.75 -0.12 0.00 -1.73 0.00 0.00 68.15 68.06 2woz h THR 519 CO 0.00 0.00 0.55 0.54 -0.25 0.00 0.00 175.52 176.36 2woz s ASN 520 N -5.68 6.41 0.25 5.36 6.03 -1.25 -5.08 114.94 120.98 2woz s ASN 520 Ca 0.07 -0.13 0.10 0.00 -1.03 0.00 0.00 52.86 51.86 2woz s ASN 520 Cb 0.07 -2.44 -0.04 0.00 -3.03 0.00 0.00 41.25 35.81 2woz s ASN 520 CO 0.62 -1.12 -0.04 -0.54 -2.03 0.00 0.00 177.10 173.98 2woz s LYS 521 N 3.80 2.18 -0.05 3.55 1.02 -1.21 -4.84 119.74 124.19 2woz s LYS 521 Ca 0.33 -1.42 -0.22 0.00 0.02 0.00 0.00 55.97 54.69 2woz s LYS 521 Cb -0.11 -2.12 -0.04 0.00 -0.52 0.00 0.00 37.83 35.03 2woz s LYS 521 CO 0.23 0.38 0.64 -1.58 -0.92 0.00 0.00 175.35 174.09 2woz s TRP 522 N -2.20 3.60 0.12 3.18 0.52 -1.26 -0.54 118.94 122.36 2woz s TRP 522 Ca 0.30 1.18 0.03 0.00 0.02 0.00 0.00 56.10 57.63 2woz s TRP 522 Cb -0.07 -2.71 -0.04 0.00 -1.15 0.00 0.00 33.47 29.50 2woz s TRP 522 CO 0.18 0.18 -0.08 -1.83 0.02 0.00 0.00 176.95 175.43 2woz s GLU 523 N 0.45 0.94 -0.14 4.98 -1.05 0.65 -4.96 118.70 119.58 2woz s GLU 523 Ca 0.34 -1.39 -0.09 0.00 -0.15 0.00 0.00 54.97 53.68 2woz s GLU 523 Cb -0.18 -0.40 -0.04 0.00 -0.44 0.00 0.00 34.13 33.07 2woz s GLU 523 CO 0.17 0.02 0.17 0.54 0.95 0.00 0.00 175.26 177.11 2woz s VAL 524 N -3.49 5.43 0.49 1.83 0.11 -1.26 0.02 120.40 123.53 2woz s VAL 524 Ca 0.14 0.28 0.07 0.00 -2.93 0.00 0.00 61.98 59.54 2woz s VAL 524 Cb 0.04 -3.46 0.02 0.00 -1.53 0.00 0.00 36.38 31.45 2woz s VAL 524 CO -0.02 0.55 0.45 -0.04 -3.33 0.00 0.00 175.10 172.71 2woz s MET 525 N -0.55 2.38 0.04 1.54 -1.94 -0.46 -4.93 119.30 115.37 2woz s MET 525 Ca 0.14 -1.75 -0.33 0.00 -1.71 0.00 0.00 55.69 52.03 2woz s MET 525 Cb -0.12 -2.30 -0.12 0.00 2.01 0.00 0.00 34.83 34.30 2woz s MET 525 CO 0.03 -0.47 1.80 2.41 -0.01 0.00 0.00 175.02 178.78 2woz n THR 526 N -1.74 0.40 -1.69 2.05 -1.04 -1.26 -4.48 114.28 106.51 2woz n THR 526 Ca 0.03 -0.07 -0.38 0.00 -2.04 0.00 0.00 64.05 61.59 2woz n THR 526 Cb 0.63 -1.88 0.05 0.00 -1.82 0.00 0.00 70.33 67.30 2woz n THR 526 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2woz n GLU 527 N 5.65 1.30 -1.82 -2.82 0.28 -1.26 -4.59 120.64 117.37 2woz n GLU 527 Ca 0.20 0.49 -0.39 0.00 -0.16 0.00 0.00 57.16 57.30 2woz n GLU 527 Cb 0.32 -2.39 0.03 0.00 1.43 0.00 0.00 31.44 30.83 2woz n GLU 527 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 2woz s PHE 528 N -1.38 2.41 -0.19 -1.84 5.36 0.78 -4.87 117.98 118.25 2woz s PHE 528 Ca 0.74 1.33 0.07 0.00 -0.96 0.00 0.00 56.93 58.12 2woz s PHE 528 Cb -0.42 -3.83 0.40 0.00 -0.34 0.00 0.00 43.02 38.83 2woz s PHE 528 CO 0.47 -2.82 1.07 -2.30 -1.46 0.00 0.00 175.22 170.18 2woz n PRO 529 N -0.59 0.05 -3.62 10.12 -0.02 -1.26 -4.67 135.00 135.02 2woz n PRO 529 Ca 0.08 0.45 -0.14 0.00 -2.02 0.00 0.00 63.50 61.86 2woz n PRO 529 Cb 0.44 -1.95 -0.07 0.00 -0.02 0.00 0.00 33.50 31.89 2woz n PRO 529 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2woz s GLN 530 N -3.01 0.87 -0.10 -0.52 0.74 -1.26 -5.12 119.66 111.26 2woz s GLN 530 Ca -0.01 0.91 -0.30 0.00 0.05 0.00 0.00 55.36 56.02 2woz s GLN 530 Cb 0.02 0.42 -0.03 0.00 1.10 0.00 0.00 33.01 34.52 2woz s GLN 530 CO 0.07 -0.13 1.34 -1.21 -0.55 0.00 0.00 175.29 174.81 2woz s GLU 531 N 0.20 4.25 -0.03 1.67 2.02 -1.26 -4.49 118.70 121.06 2woz s GLU 531 Ca -0.01 1.80 -0.07 0.00 0.02 0.00 0.00 54.97 56.70 2woz s GLU 531 Cb -0.04 -3.73 0.01 0.00 0.10 0.00 0.00 34.13 30.47 2woz s GLU 531 CO 0.02 -0.66 0.17 1.03 0.02 0.00 0.00 175.26 175.84 2woz s ARG 532 N 3.16 0.38 0.19 1.61 0.52 -0.80 -4.21 118.95 119.80 2woz s ARG 532 Ca 0.59 -0.10 0.02 0.00 -0.52 0.00 0.00 55.73 55.72 2woz s ARG 532 Cb -0.26 0.16 -0.04 0.00 0.52 0.00 0.00 34.95 35.34 2woz s ARG 532 CO 0.20 -0.08 0.35 -1.54 0.02 0.00 0.00 175.30 174.25 2woz s SER 533 N -0.74 6.35 -1.37 0.23 1.04 -0.93 -0.60 113.70 117.68 2woz s SER 533 Ca -0.08 0.24 -0.04 0.00 0.48 0.00 0.00 55.95 56.55 2woz s SER 533 Cb -0.05 -1.94 0.02 0.00 0.10 0.00 0.00 66.02 64.15 2woz s SER 533 CO 0.01 -0.02 0.29 -1.20 0.98 0.00 0.00 173.24 173.30 2woz n SER 534 N -0.80 -4.80 -4.68 7.02 7.64 0.18 -0.32 113.62 117.87 2woz n SER 534 Ca -0.06 -0.12 -0.44 0.00 1.01 0.00 0.00 58.87 59.26 2woz n SER 534 Cb 0.55 -3.97 -0.01 0.00 -1.01 0.00 0.00 64.21 59.76 2woz n SER 534 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2woz n ILE 535 N -3.94 1.60 -3.59 0.44 5.41 -1.26 -3.60 119.36 114.42 2woz n ILE 535 Ca -0.12 -0.40 -0.38 0.00 1.00 0.00 0.00 62.75 62.85 2woz n ILE 535 Cb 0.61 -1.48 -0.11 0.00 -0.71 0.00 0.00 39.64 37.95 2woz n ILE 535 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2woz s SER 536 N -0.11 6.01 -0.13 4.38 0.01 -0.45 -2.93 113.70 120.49 2woz s SER 536 Ca 0.61 -0.01 -0.08 0.00 1.31 0.00 0.00 55.95 57.78 2woz s SER 536 Cb -0.61 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 63.46 2woz s SER 536 CO 0.57 -0.05 0.15 -0.76 0.41 0.00 0.00 173.24 173.56 2woz s LEU 537 N 1.74 4.36 -0.02 2.44 1.02 -1.26 0.13 118.68 127.09 2woz s LEU 537 Ca 0.07 0.44 -0.01 0.00 0.02 0.00 0.00 54.13 54.65 2woz s LEU 537 Cb -0.16 -2.09 0.01 0.00 0.02 0.00 0.00 46.19 43.97 2woz s LEU 537 CO 0.11 0.36 0.04 0.68 0.02 0.00 0.00 176.35 177.56 2woz s VAL 538 N -0.77 -0.01 -0.40 -1.59 -7.23 -0.48 -4.66 120.40 105.26 2woz s VAL 538 Ca 0.14 0.04 -0.20 0.00 -1.81 0.00 0.00 61.98 60.15 2woz s VAL 538 Cb -0.12 -0.07 0.01 0.00 0.56 0.00 0.00 36.38 36.77 2woz s VAL 538 CO 0.03 0.02 0.61 -0.55 -0.31 0.00 0.00 175.10 174.90 2woz s SER 539 N 0.21 6.34 -0.32 4.85 0.15 -1.26 0.01 113.70 123.67 2woz s SER 539 Ca -0.02 -0.20 -0.04 0.00 0.70 0.00 0.00 55.95 56.40 2woz s SER 539 Cb -0.02 -2.31 0.04 0.00 -1.71 0.00 0.00 66.02 62.02 2woz s SER 539 CO -0.01 -0.68 0.06 -0.22 1.20 0.00 0.00 173.24 173.59 2woz s LEU 540 N 2.69 4.12 0.00 3.45 0.20 0.85 -4.71 118.68 125.28 2woz s LEU 540 Ca 0.22 -1.20 0.00 0.00 0.69 0.00 0.00 54.13 53.84 2woz s LEU 540 Cb -0.15 -1.80 0.00 0.00 -0.43 0.00 0.00 46.19 43.82 2woz s LEU 540 CO 0.17 -0.30 0.00 0.00 -0.29 0.00 0.00 176.35 175.93 2woz n ALA 541 N 4.73 0.00 0.84 5.97 0.00 -1.26 -1.01 120.51 129.78 2woz n ALA 541 Ca -0.13 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.45 2woz n ALA 541 Cb 0.44 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.41 2woz n ALA 541 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2woz n GLY 542 N 0.00 -1.59 3.37 0.00 0.00 -1.26 -4.97 105.19 100.74 2woz n GLY 542 Ca 0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 2woz n GLY 542 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2woz s SER 543 N -3.66 3.33 -0.25 1.61 0.01 -0.18 -4.96 113.70 109.60 2woz s SER 543 Ca 0.12 -0.51 -0.20 0.00 1.31 0.00 0.00 55.95 56.67 2woz s SER 543 Cb 0.16 -0.40 -0.02 0.00 0.21 0.00 0.00 66.02 65.97 2woz s SER 543 CO 0.56 0.28 0.62 -0.22 0.41 0.00 0.00 173.24 174.89 2woz s LEU 544 N -1.12 4.06 0.14 2.44 0.20 -1.26 -0.10 118.68 123.04 2woz s LEU 544 Ca 0.12 0.70 0.07 0.00 0.69 0.00 0.00 54.13 55.71 2woz s LEU 544 Cb -0.10 -2.85 -0.04 0.00 -0.43 0.00 0.00 46.19 42.77 2woz s LEU 544 CO 0.02 -0.36 -0.02 -0.31 -0.29 0.00 0.00 176.35 175.39 2woz s TYR 545 N 2.48 2.87 -0.09 5.38 1.51 0.10 -0.81 117.35 128.78 2woz s TYR 545 Ca 0.26 -0.11 0.03 0.00 -1.01 0.00 0.00 57.07 56.24 2woz s TYR 545 Cb -0.15 -1.43 0.01 0.00 -0.11 0.00 0.00 41.96 40.27 2woz s TYR 545 CO 0.08 0.49 -0.17 0.00 -1.11 0.00 0.00 175.55 174.85 2woz s ALA 546 N -1.53 1.70 -0.13 3.71 0.00 -0.39 -1.38 121.76 123.74 2woz s ALA 546 Ca 0.26 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.54 2woz s ALA 546 Cb -0.10 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.30 2woz s ALA 546 CO 0.18 0.11 -0.20 0.42 0.00 0.00 0.00 175.76 176.27 2woz s ILE 547 N 0.66 1.87 0.00 0.00 1.09 0.12 -0.95 121.20 123.99 2woz s ILE 547 Ca -0.13 -0.87 0.00 0.00 -1.10 0.00 0.00 60.65 58.55 2woz s ILE 547 Cb -0.16 -1.67 0.00 0.00 -1.06 0.00 0.00 42.46 39.57 2woz s ILE 547 CO 0.04 0.51 0.00 0.61 -0.10 0.00 0.00 174.94 176.00 2woz n GLY 548 N 4.12 2.93 0.00 6.18 0.00 -0.50 -1.34 105.19 116.58 2woz n GLY 548 Ca -0.20 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2woz n GLY 548 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2woz n GLY 549 N 0.00 0.62 3.29 -0.02 0.00 -1.24 -4.48 105.19 103.37 2woz n GLY 549 Ca 0.00 -2.13 -0.32 0.00 0.00 0.00 0.00 46.02 43.57 2woz n GLY 549 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2woz s PHE 550 N -1.14 2.60 0.00 1.61 0.40 0.56 -1.37 117.98 120.65 2woz s PHE 550 Ca 0.00 -0.79 0.00 0.00 -0.60 0.00 0.00 56.93 55.54 2woz s PHE 550 Cb 0.00 -1.71 0.00 0.00 0.51 0.00 0.00 43.02 41.82 2woz s PHE 550 CO 0.00 -0.27 0.00 0.00 0.70 0.00 0.00 175.22 175.65 2woz n ALA 551 N 3.28 0.00 -2.63 5.36 0.00 0.19 -2.18 120.51 124.52 2woz n ALA 551 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.87 2woz n ALA 551 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.89 2woz n ALA 551 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2woz s MET 552 N 0.00 4.07 0.22 0.00 -1.94 -1.26 -4.77 119.30 115.61 2woz s MET 552 Ca 0.00 0.10 -0.21 0.00 -1.71 0.00 0.00 55.69 53.87 2woz s MET 552 Cb 0.00 -3.62 0.04 0.00 2.01 0.00 0.00 34.83 33.26 2woz s MET 552 CO 0.00 -0.21 0.64 0.42 -0.01 0.00 0.00 175.02 175.87 2woz s ILE 553 N 1.85 0.00 -0.23 2.53 1.01 -0.88 -4.88 121.20 120.60 2woz s ILE 553 Ca 0.16 -0.54 -0.00 0.00 0.00 0.00 0.00 60.65 60.27 2woz s ILE 553 Cb -0.15 -1.51 0.06 0.00 0.01 0.00 0.00 42.46 40.87 2woz s ILE 553 CO 0.09 -0.01 -0.01 -1.58 0.00 0.00 0.00 174.94 173.43 2woz s GLN 554 N -3.84 1.23 0.00 2.79 0.74 -1.26 -1.39 119.66 117.93 2woz s GLN 554 Ca 0.06 -0.83 -0.00 0.00 0.05 0.00 0.00 55.36 54.64 2woz s GLN 554 Cb -0.03 -2.41 0.00 0.00 1.10 0.00 0.00 33.01 31.67 2woz s GLN 554 CO -0.03 -0.65 0.00 -1.91 -0.55 0.00 0.00 175.29 172.15 2woz n GLU 559 N 4.80 -0.00 -2.95 1.67 2.13 -1.26 -4.93 120.64 120.10 2woz n GLU 559 Ca -0.10 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.31 2woz n GLU 559 Cb 0.45 -0.01 -0.05 0.00 0.27 0.00 0.00 31.44 32.10 2woz n GLU 559 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2woz s PHE 560 N -5.00 3.32 0.07 4.31 0.40 -1.26 -5.05 117.98 114.76 2woz s PHE 560 Ca -0.00 1.07 -0.07 0.00 -0.60 0.00 0.00 56.93 57.33 2woz s PHE 560 Cb 0.00 -2.99 -0.01 0.00 0.51 0.00 0.00 43.02 40.53 2woz s PHE 560 CO 0.00 -0.36 0.13 0.00 0.70 0.00 0.00 175.22 175.70 2woz s ALA 561 N 2.66 -0.09 -0.10 5.36 0.00 -0.48 -4.88 121.76 124.23 2woz s ALA 561 Ca 0.33 -0.66 -0.29 0.00 0.00 0.00 0.00 51.96 51.34 2woz s ALA 561 Cb -0.15 0.37 -0.07 0.00 0.00 0.00 0.00 23.12 23.27 2woz s ALA 561 CO 0.08 -0.43 2.10 -2.30 0.00 0.00 0.00 175.76 175.22 2woz n PRO 562 N 0.23 2.38 -4.26 0.00 -0.02 -1.26 -2.07 135.00 129.99 2woz n PRO 562 Ca -0.16 0.78 -0.18 0.00 -2.02 0.00 0.00 63.50 61.92 2woz n PRO 562 Cb 0.61 -3.11 -0.15 0.00 -0.02 0.00 0.00 33.50 30.83 2woz n PRO 562 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2woz s THR 563 N 6.42 0.58 0.22 3.45 -1.32 -1.26 -4.80 115.64 118.93 2woz s THR 563 Ca 0.95 -0.28 -0.31 0.00 -1.21 0.00 0.00 61.69 60.84 2woz s THR 563 Cb -0.40 -0.51 -0.11 0.00 -1.51 0.00 0.00 72.50 69.98 2woz s THR 563 CO 0.39 0.18 1.57 -0.70 -2.21 0.00 0.00 174.62 173.85 2woz s GLU 564 N 0.03 4.19 -0.17 7.08 2.12 -1.26 0.53 118.70 131.21 2woz s GLU 564 Ca 0.00 2.44 -0.03 0.00 0.36 0.00 0.00 54.97 57.75 2woz s GLU 564 Cb -0.05 -3.10 -0.02 0.00 0.26 0.00 0.00 34.13 31.22 2woz s GLU 564 CO -0.00 -0.59 -0.07 0.08 -0.54 0.00 0.00 175.26 174.14 2woz s VAL 565 N 0.59 3.47 -0.93 3.70 1.01 -0.47 -4.89 120.40 122.87 2woz s VAL 565 Ca 0.67 -0.49 -0.00 0.00 0.00 0.00 0.00 61.98 62.15 2woz s VAL 565 Cb -0.45 -2.52 0.33 0.00 0.00 0.00 0.00 36.38 33.74 2woz s VAL 565 CO 0.38 0.48 1.76 0.59 0.00 0.00 0.00 175.10 178.31 2woz n ASN 566 N 3.96 7.05 -4.79 3.32 3.02 -1.26 -3.62 115.26 122.93 2woz n ASN 566 Ca -0.18 -3.72 -0.26 0.00 -0.03 0.00 0.00 54.58 50.39 2woz n ASN 566 Cb 0.52 -1.07 -0.05 0.00 -0.61 0.00 0.00 39.78 38.57 2woz n ASN 566 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 2woz s ASP 567 N -1.56 4.47 -0.03 6.41 -4.77 -1.25 -0.12 116.67 119.82 2woz s ASP 567 Ca 0.43 -1.18 0.04 0.00 -3.30 0.00 0.00 52.55 48.53 2woz s ASP 567 Cb 0.26 -0.12 -0.00 0.00 -1.09 0.00 0.00 42.92 41.96 2woz s ASP 567 CO -0.19 -0.73 -0.13 -0.63 0.70 0.00 0.00 175.17 174.18 2woz s ILE 568 N -2.68 1.11 0.26 2.11 1.09 -0.33 -1.41 121.20 121.36 2woz s ILE 568 Ca 0.35 -0.56 0.08 0.00 -1.10 0.00 0.00 60.65 59.42 2woz s ILE 568 Cb 0.02 -0.95 -0.05 0.00 -1.06 0.00 0.00 42.46 40.41 2woz s ILE 568 CO 0.20 0.32 -0.11 0.26 -0.10 0.00 0.00 174.94 175.52 2woz s TRP 569 N -0.03 1.97 -0.03 3.97 0.52 -0.12 -0.35 118.94 124.87 2woz s TRP 569 Ca -0.01 -0.59 0.00 0.00 0.02 0.00 0.00 56.10 55.52 2woz s TRP 569 Cb -0.09 -1.03 0.03 0.00 -1.15 0.00 0.00 33.47 31.23 2woz s TRP 569 CO 0.01 0.39 0.01 0.21 0.02 0.00 0.00 176.95 177.59 2woz s LYS 570 N -3.66 0.23 -0.01 4.98 2.20 -0.36 -1.26 119.74 121.86 2woz s LYS 570 Ca 0.28 0.11 -0.30 0.00 -0.36 0.00 0.00 55.97 55.69 2woz s LYS 570 Cb 0.01 -0.45 -0.04 0.00 -1.51 0.00 0.00 37.83 35.83 2woz s LYS 570 CO 0.11 -0.15 1.24 -0.47 -0.36 0.00 0.00 175.35 175.72 2woz s TYR 571 N 1.10 3.19 -0.50 4.03 5.04 0.01 -0.79 117.35 129.43 2woz s TYR 571 Ca -0.09 1.16 -0.19 0.00 -2.44 0.00 0.00 57.07 55.51 2woz s TYR 571 Cb -0.13 -3.47 0.05 0.00 0.35 0.00 0.00 41.96 38.76 2woz s TYR 571 CO -0.02 -1.52 0.63 -1.21 -1.34 0.00 0.00 175.55 172.09 2woz s GLU 572 N 1.93 3.14 0.08 4.97 0.41 0.14 -4.52 118.70 124.86 2woz s GLU 572 Ca 0.58 -0.83 -0.28 0.00 -0.41 0.00 0.00 54.97 54.04 2woz s GLU 572 Cb -0.27 -4.08 -0.16 0.00 -1.78 0.00 0.00 34.13 27.84 2woz s GLU 572 CO 0.25 -1.21 1.68 -0.44 -0.49 0.00 0.00 175.26 175.05 2woz h ASP 573 N 8.99 -0.41 -3.38 -0.19 3.32 -1.95 0.48 116.42 123.29 2woz h ASP 573 Ca -0.27 0.02 -0.52 0.00 0.02 0.00 0.00 57.03 56.28 2woz h ASP 573 Cb 1.09 0.12 0.03 0.00 0.22 0.00 0.00 39.33 40.79 2woz h ASP 573 CO 0.96 -0.27 0.63 -1.81 -1.72 0.00 0.00 179.24 177.03 2woz s ASP 574 N -4.81 6.94 0.00 6.45 -0.00 -1.26 -2.83 116.67 121.16 2woz s ASP 574 Ca -0.15 2.34 0.00 0.00 -0.00 0.00 0.00 52.55 54.74 2woz s ASP 574 Cb 0.05 -2.61 0.00 0.00 -0.00 0.00 0.00 42.92 40.37 2woz s ASP 574 CO 0.64 -0.50 0.00 0.29 -0.00 0.00 0.00 175.17 175.61 2woz n LYS 575 N 2.72 0.00 -3.23 8.23 5.02 -1.26 -4.62 118.16 125.02 2woz n LYS 575 Ca 0.06 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.20 2woz n LYS 575 Cb 0.43 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.52 2woz n LYS 575 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2woz n LYS 576 N 0.00 -4.44 -4.16 1.97 5.02 0.14 -5.04 118.16 111.64 2woz n LYS 576 Ca 0.00 0.79 -0.17 0.00 -2.02 0.00 0.00 58.31 56.92 2woz n LYS 576 Cb 0.00 -5.57 -0.12 0.00 -0.02 0.00 0.00 35.03 29.33 2woz n LYS 576 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2woz s GLU 577 N -4.85 0.80 -0.22 1.97 -1.05 -1.06 -4.74 118.70 109.55 2woz s GLU 577 Ca 0.18 -1.00 -0.20 0.00 -0.15 0.00 0.00 54.97 53.80 2woz s GLU 577 Cb -0.02 -0.69 -0.02 0.00 -0.44 0.00 0.00 34.13 32.95 2woz s GLU 577 CO 0.68 0.14 0.61 -1.58 0.95 0.00 0.00 175.26 176.05 2woz s TRP 578 N -1.62 3.34 -0.18 4.83 0.52 -1.26 0.28 118.94 124.86 2woz s TRP 578 Ca -0.01 0.86 -0.04 0.00 0.02 0.00 0.00 56.10 56.93 2woz s TRP 578 Cb -0.08 -2.79 -0.03 0.00 -1.15 0.00 0.00 33.47 29.43 2woz s TRP 578 CO 0.02 -0.21 -0.02 0.00 0.02 0.00 0.00 176.95 176.76 2woz s ALA 579 N 2.04 3.03 -0.03 0.98 0.00 0.03 -4.91 121.76 122.90 2woz s ALA 579 Ca 0.27 -0.91 -0.30 0.00 0.00 0.00 0.00 51.96 51.02 2woz s ALA 579 Cb -0.16 -1.68 -0.06 0.00 0.00 0.00 0.00 23.12 21.23 2woz s ALA 579 CO 0.10 0.02 1.65 0.20 0.00 0.00 0.00 175.76 177.73 2woz s GLY 580 N 0.69 1.56 -0.26 0.00 0.00 -1.26 -1.23 107.32 106.82 2woz s GLY 580 Ca -0.01 0.99 -0.14 0.00 0.00 0.00 0.00 44.72 45.56 2woz s GLY 580 CO 0.02 3.00 -0.21 -0.13 0.00 0.00 0.00 173.10 175.78 2woz n MET 581 N 6.82 0.60 -3.70 2.90 1.56 0.53 -4.96 117.12 120.87 2woz n MET 581 Ca 0.17 0.31 -0.14 0.00 -0.27 0.00 0.00 57.70 57.77 2woz n MET 581 Cb 0.42 -1.55 -0.14 0.00 2.15 0.00 0.00 33.22 34.10 2woz n MET 581 CO 0.00 0.00 0.00 -1.17 -0.73 0.00 0.00 175.97 174.07 2woz s LEU 582 N -7.47 0.14 0.02 -0.89 0.20 -1.09 -4.98 118.68 104.61 2woz s LEU 582 Ca -0.36 0.44 -0.22 0.00 0.69 0.00 0.00 54.13 54.68 2woz s LEU 582 Cb 0.12 0.51 -0.16 0.00 -0.43 0.00 0.00 46.19 46.23 2woz s LEU 582 CO 0.53 -0.21 1.32 0.50 -0.29 0.00 0.00 176.35 178.21 2woz h LYS 583 N 7.84 0.23 -3.75 1.98 3.64 -1.88 -0.85 116.57 123.78 2woz h LYS 583 Ca -0.26 -0.12 -0.34 0.00 -1.27 0.00 0.00 60.65 58.66 2woz h LYS 583 Cb 1.13 0.00 -0.34 0.00 -0.41 0.00 0.00 32.23 32.62 2woz h LYS 583 CO 0.25 0.65 -0.75 -2.00 -2.27 0.00 0.00 179.45 175.33 2woz s GLU 584 N -4.31 0.33 -0.16 1.90 2.12 -1.25 -3.81 118.70 113.51 2woz s GLU 584 Ca -0.15 0.06 -0.02 0.00 0.36 0.00 0.00 54.97 55.22 2woz s GLU 584 Cb 0.04 -0.49 0.05 0.00 0.26 0.00 0.00 34.13 33.99 2woz s GLU 584 CO 0.73 -0.12 0.00 -1.50 -0.54 0.00 0.00 175.26 173.82 2woz s ILE 585 N 0.95 0.69 0.19 -3.70 2.07 0.83 -4.98 121.20 117.26 2woz s ILE 585 Ca -0.10 -0.46 0.26 0.00 -1.41 0.00 0.00 60.65 58.95 2woz s ILE 585 Cb -0.13 -1.02 0.27 0.00 0.13 0.00 0.00 42.46 41.70 2woz s ILE 585 CO -0.02 -0.01 1.90 0.08 -1.91 0.00 0.00 174.94 174.99 2woz h ARG 586 N 8.22 0.00 0.00 3.50 0.11 -2.00 -2.47 114.38 121.74 2woz h ARG 586 Ca -0.19 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.89 2woz h ARG 586 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.20 2woz h ARG 586 CO 0.34 0.17 0.00 1.88 0.10 0.00 0.00 179.97 182.46 2woz h TYR 587 N 0.00 0.00 0.00 4.08 -1.99 -1.96 -2.51 116.97 114.60 2woz h TYR 587 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2woz h TYR 587 Cb 0.63 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.36 2woz h TYR 587 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 2woz h ALA 588 N 2.05 1.00 -2.23 3.88 0.00 -1.80 -3.43 119.26 118.72 2woz h ALA 588 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 2woz h ALA 588 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2woz h ALA 588 CO 0.00 0.00 1.22 0.45 0.00 0.00 0.00 179.25 180.92 2woz s SER 589 N -5.29 6.35 0.00 0.00 0.15 -0.95 -1.27 113.70 112.69 2woz s SER 589 Ca 0.07 2.30 0.00 0.00 0.70 0.00 0.00 55.95 59.02 2woz s SER 589 Cb 0.09 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 2woz s SER 589 CO 0.58 -1.18 0.00 0.61 1.20 0.00 0.00 173.24 174.45 2woz n GLY 590 N 4.63 0.65 3.78 9.45 0.00 -1.26 -4.84 105.19 117.60 2woz n GLY 590 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2woz n GLY 590 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2woz s ALA 591 N -2.79 3.56 0.50 4.61 0.00 -0.40 -4.67 121.76 122.57 2woz s ALA 591 Ca 0.00 -0.14 -0.19 0.00 0.00 0.00 0.00 51.96 51.63 2woz s ALA 591 Cb 0.00 -2.57 -0.08 0.00 0.00 0.00 0.00 23.12 20.47 2woz s ALA 591 CO 0.00 0.23 1.01 -1.54 0.00 0.00 0.00 175.76 175.46 2woz s SER 592 N -0.27 6.42 -0.03 0.00 1.04 -0.43 -4.86 113.70 115.58 2woz s SER 592 Ca 0.26 1.80 0.03 0.00 0.48 0.00 0.00 55.95 58.52 2woz s SER 592 Cb -0.17 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.41 2woz s SER 592 CO 0.13 -0.72 -0.11 0.00 0.98 0.00 0.00 173.24 173.52 2woz s LEU 594 N 0.09 1.07 0.01 0.00 1.02 -0.58 -4.92 118.68 115.37 2woz s LEU 594 Ca -0.02 0.46 -0.25 0.00 0.02 0.00 0.00 54.13 54.34 2woz s LEU 594 Cb -0.08 0.76 -0.05 0.00 0.02 0.00 0.00 46.19 46.84 2woz s LEU 594 CO 0.01 -0.09 0.77 0.00 0.02 0.00 0.00 176.35 177.06 2woz s ALA 595 N 0.24 3.34 0.09 4.21 0.00 -1.26 0.48 121.76 128.86 2woz s ALA 595 Ca -0.01 0.27 -0.11 0.00 0.00 0.00 0.00 51.96 52.11 2woz s ALA 595 Cb -0.03 -3.02 0.01 0.00 0.00 0.00 0.00 23.12 20.09 2woz s ALA 595 CO -0.01 -0.00 0.26 -0.08 0.00 0.00 0.00 175.76 175.93 2woz s THR 596 N 0.25 0.12 -0.50 0.00 -1.32 -0.47 -4.91 115.64 108.80 2woz s THR 596 Ca 0.40 -0.95 -0.17 0.00 -1.21 0.00 0.00 61.69 59.75 2woz s THR 596 Cb -0.20 -1.24 0.08 0.00 -1.51 0.00 0.00 72.50 69.64 2woz s THR 596 CO 0.22 -0.53 0.50 -0.13 -2.21 0.00 0.00 174.62 172.47 2woz s ARG 597 N -3.67 3.02 -0.07 7.08 0.52 -1.26 -0.50 118.95 124.07 2woz s ARG 597 Ca 0.03 -1.30 -0.03 0.00 -0.52 0.00 0.00 55.73 53.91 2woz s ARG 597 Cb 0.03 -4.16 -0.04 0.00 0.52 0.00 0.00 34.95 31.30 2woz s ARG 597 CO -0.10 -1.17 0.08 -0.51 0.02 0.00 0.00 175.30 173.62 2woz s LEU 598 N 1.97 4.01 -0.33 2.53 1.43 -0.22 -4.89 118.68 123.17 2woz s LEU 598 Ca 0.07 0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 53.16 2woz s LEU 598 Cb -0.24 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 43.92 2woz s LEU 598 CO 0.07 0.36 1.12 0.20 0.23 0.00 0.00 176.35 178.32 2woz s ASN 599 N -1.22 6.87 0.23 2.29 0.01 -1.26 -0.64 114.94 121.21 2woz s ASN 599 Ca 0.17 1.02 -0.07 0.00 -0.71 0.00 0.00 52.86 53.28 2woz s ASN 599 Cb -0.12 -2.54 0.31 0.00 0.41 0.00 0.00 41.25 39.31 2woz s ASN 599 CO 0.07 -0.94 1.82 -0.07 -1.51 0.00 0.00 177.10 176.46 2woz h LEU 600 N 10.31 0.65 0.00 0.60 3.38 -1.58 -1.74 115.31 126.93 2woz h LEU 600 Ca -0.22 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2woz h LEU 600 Cb 1.07 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2woz h LEU 600 CO 1.04 0.40 0.00 2.22 0.09 0.00 0.00 178.44 182.19 2woz n PHE 601 N -4.74 0.00 1.09 1.13 -0.00 -1.26 -1.00 117.46 112.68 2woz n PHE 601 Ca 0.11 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.69 2woz n PHE 601 Cb 0.21 -0.39 0.36 0.00 -0.00 0.00 0.00 39.48 39.65 2woz n PHE 601 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 2woz n LYS 602 N -1.39 0.25 -2.38 3.97 4.76 -0.66 -4.96 118.16 117.75 2woz n LYS 602 Ca 0.05 -0.13 -0.27 0.00 -2.87 0.00 0.00 58.31 55.09 2woz n LYS 602 Cb 0.13 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 31.85 2woz n LYS 602 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2woz s LEU 603 N -2.84 3.28 0.14 -0.35 1.43 -0.17 -4.90 118.68 115.26 2woz s LEU 603 Ca 0.16 0.80 0.11 0.00 -1.03 0.00 0.00 54.13 54.17 2woz s LEU 603 Cb 0.18 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 2woz s LEU 603 CO 0.62 -1.00 -0.26 -0.44 0.23 0.00 0.00 176.35 175.50 2woz s SER 604 N -4.27 3.33 0.24 2.29 0.01 0.05 -4.96 113.70 110.39 2woz s SER 604 Ca 0.53 -0.78 -0.30 0.00 1.31 0.00 0.00 55.95 56.72 2woz s SER 604 Cb -0.11 -0.23 -0.09 0.00 0.21 0.00 0.00 66.02 65.81 2woz s SER 604 CO 0.46 0.16 1.14 -0.54 0.41 0.00 0.00 173.24 174.88 2woz s LYS 605 N -2.19 4.57 0.00 12.44 1.02 -1.26 -0.85 119.74 133.46 2woz s LYS 605 Ca 0.15 1.84 0.29 0.00 0.02 0.00 0.00 55.97 58.28 2woz s LYS 605 Cb -0.10 -3.21 1.26 0.00 -0.52 0.00 0.00 37.83 35.26 2woz s LYS 605 CO 0.07 0.07 1.86 1.28 -0.92 0.00 0.00 175.35 177.72