#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qmc s THR 381 N 0.00 0.03 -0.06 0.00 -1.32 -0.48 -4.64 115.64 109.17 2qmc s THR 381 Ca 0.00 -0.27 0.04 0.00 -1.21 0.00 0.00 61.69 60.25 2qmc s THR 381 Cb 0.00 -0.47 -0.02 0.00 -1.51 0.00 0.00 72.50 70.50 2qmc s THR 381 CO 0.00 -0.15 -0.18 -2.28 -2.21 0.00 0.00 174.62 169.81 2qmc s HIS 382 N -0.58 2.62 0.06 9.09 5.04 -1.26 -1.87 115.29 128.39 2qmc s HIS 382 Ca -0.07 -0.38 0.03 0.00 -1.54 0.00 0.00 55.06 53.11 2qmc s HIS 382 Cb -0.04 -1.64 -0.03 0.00 0.04 0.00 0.00 32.58 30.91 2qmc s HIS 382 CO 0.02 0.01 -0.11 1.52 -2.34 0.00 0.00 174.74 173.85 2qmc s TYR 383 N -0.43 0.93 -0.04 3.88 -0.85 0.01 -4.55 117.35 116.29 2qmc s TYR 383 Ca 0.05 -0.51 0.03 0.00 -0.52 0.00 0.00 57.07 56.13 2qmc s TYR 383 Cb -0.12 -0.53 -0.00 0.00 0.38 0.00 0.00 41.96 41.69 2qmc s TYR 383 CO 0.02 -0.02 -0.14 -1.12 -1.52 0.00 0.00 175.55 172.77 2qmc s SER 384 N -1.76 1.74 -0.01 -0.18 0.01 -1.26 -1.30 113.70 110.94 2qmc s SER 384 Ca -0.05 -0.28 0.01 0.00 1.31 0.00 0.00 55.95 56.94 2qmc s SER 384 Cb -0.09 -0.47 0.00 0.00 0.21 0.00 0.00 66.02 65.67 2qmc s SER 384 CO 0.01 0.11 -0.03 -0.69 0.41 0.00 0.00 173.24 173.05 2qmc s VAL 385 N 0.11 0.28 -0.05 3.43 1.01 -0.11 -4.96 120.40 120.10 2qmc s VAL 385 Ca -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 2qmc s VAL 385 Cb -0.10 -0.27 0.03 0.00 0.00 0.00 0.00 36.38 36.04 2qmc s VAL 385 CO 0.01 0.10 0.11 0.00 0.00 0.00 0.00 175.10 175.33 2qmc s ALA 386 N 0.19 -0.19 0.53 5.51 0.00 -1.26 -0.25 121.76 126.29 2qmc s ALA 386 Ca -0.02 0.55 0.04 0.00 0.00 0.00 0.00 51.96 52.54 2qmc s ALA 386 Cb -0.05 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.71 2qmc s ALA 386 CO -0.00 -0.13 0.26 0.16 0.00 0.00 0.00 175.76 176.05 2qmc s ASP 387 N 1.03 4.47 0.34 0.00 1.47 -0.46 -5.02 116.67 118.50 2qmc s ASP 387 Ca -0.08 -1.36 0.26 0.00 1.18 0.00 0.00 52.55 52.54 2qmc s ASP 387 Cb -0.11 0.40 0.79 0.00 -0.34 0.00 0.00 42.92 43.66 2qmc s ASP 387 CO -0.05 -0.99 1.75 0.08 0.68 0.00 0.00 175.17 176.64 2qmc h ARG 388 N 0.98 0.00 0.00 2.11 0.11 -2.02 -3.00 114.38 112.55 2qmc h ARG 388 Ca -0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.69 2qmc h ARG 388 Cb 1.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.38 2qmc h ARG 388 CO 0.63 0.00 -0.34 0.91 0.10 0.00 0.00 179.97 181.27 2qmc n TRP 389 N -2.63 0.01 0.00 4.08 8.01 -1.26 -4.93 117.44 120.73 2qmc n TRP 389 Ca 0.04 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.23 2qmc n TRP 389 Cb 0.40 -0.34 0.00 0.00 -2.01 0.00 0.00 31.31 29.36 2qmc n TRP 389 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2qmc n GLY 390 N 1.50 1.11 3.77 6.99 0.00 -1.13 -5.09 105.19 112.34 2qmc n GLY 390 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 2qmc n GLY 390 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qmc s ASN 391 N -2.01 7.26 -0.00 1.61 0.01 -1.26 -4.80 114.94 115.75 2qmc s ASN 391 Ca 0.00 2.00 0.02 0.00 -0.71 0.00 0.00 52.86 54.17 2qmc s ASN 391 Cb 0.00 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 39.06 2qmc s ASN 391 CO 0.00 -0.13 -0.06 0.00 -1.51 0.00 0.00 177.10 175.39 2qmc s ALA 392 N -1.43 0.53 -0.09 0.60 0.00 -1.26 -1.35 121.76 118.76 2qmc s ALA 392 Ca 0.49 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.15 2qmc s ALA 392 Cb -0.24 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.78 2qmc s ALA 392 CO 0.30 0.12 -0.07 0.08 0.00 0.00 0.00 175.76 176.19 2qmc s VAL 393 N -0.21 0.91 -0.24 0.00 1.01 0.66 -5.00 120.40 117.54 2qmc s VAL 393 Ca 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 2qmc s VAL 393 Cb -0.03 -0.92 0.02 0.00 0.00 0.00 0.00 36.38 35.45 2qmc s VAL 393 CO -0.00 0.33 -0.08 -0.55 0.00 0.00 0.00 175.10 174.80 2qmc s SER 394 N 1.40 4.16 -0.13 3.32 0.15 -1.26 -0.94 113.70 120.41 2qmc s SER 394 Ca -0.01 -0.82 0.01 0.00 0.70 0.00 0.00 55.95 55.83 2qmc s SER 394 Cb -0.13 -1.64 0.02 0.00 -1.71 0.00 0.00 66.02 62.55 2qmc s SER 394 CO -0.04 -0.10 -0.17 -0.69 1.20 0.00 0.00 173.24 173.44 2qmc s VAL 395 N 1.33 1.66 -0.11 4.45 1.01 -0.42 -4.78 120.40 123.54 2qmc s VAL 395 Ca 0.01 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.29 2qmc s VAL 395 Cb -0.16 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 2qmc s VAL 395 CO -0.05 0.47 -0.18 -0.89 0.00 0.00 0.00 175.10 174.45 2qmc s THR 396 N 1.11 2.66 0.11 3.92 2.01 -1.26 -0.81 115.64 123.37 2qmc s THR 396 Ca -0.03 -0.81 -0.07 0.00 0.31 0.00 0.00 61.69 61.09 2qmc s THR 396 Cb -0.14 -2.07 -0.01 0.00 0.01 0.00 0.00 72.50 70.28 2qmc s THR 396 CO -0.05 0.54 0.18 -0.72 -0.69 0.00 0.00 174.62 173.89 2qmc s TYR 397 N 0.22 0.35 -0.02 4.92 1.13 -0.78 -4.99 117.35 118.19 2qmc s TYR 397 Ca -0.11 -0.77 -0.28 0.00 -1.41 0.00 0.00 57.07 54.50 2qmc s TYR 397 Cb -0.16 -0.14 0.09 0.00 -1.10 0.00 0.00 41.96 40.65 2qmc s TYR 397 CO 0.06 -0.58 0.80 -0.08 -2.51 0.00 0.00 175.55 173.24 2qmc s THR 398 N -3.92 0.00 -0.73 -3.49 -1.32 -1.26 -1.39 115.64 103.53 2qmc s THR 398 Ca 0.11 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.74 2qmc s THR 398 Cb 0.05 -1.00 0.49 0.00 -1.51 0.00 0.00 72.50 70.53 2qmc s THR 398 CO -0.06 0.00 1.41 2.30 -2.21 0.00 0.00 174.62 176.06 2qmc n ILE 399 N 0.24 1.65 0.00 5.08 -5.35 -1.26 -4.93 119.36 114.78 2qmc n ILE 399 Ca -0.13 -1.35 0.00 0.00 -0.27 0.00 0.00 62.75 61.00 2qmc n ILE 399 Cb 0.60 0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.65 2qmc n ILE 399 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2qmc n ASN 400 N 0.33 0.00 -4.54 7.28 5.15 -1.26 -1.38 115.26 120.84 2qmc n ASN 400 Ca 0.19 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.87 2qmc n ASN 400 Cb 0.70 0.00 0.23 0.00 -0.53 0.00 0.00 39.78 40.18 2qmc n ASN 400 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qmc n ALA 401 N 5.54 -2.20 -1.66 5.20 0.00 -1.26 -3.30 120.51 122.83 2qmc n ALA 401 Ca 0.00 -0.97 -0.42 0.00 0.00 0.00 0.00 53.44 52.05 2qmc n ALA 401 Cb 0.00 -2.06 -0.03 0.00 0.00 0.00 0.00 19.45 17.36 2qmc n ALA 401 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qmc n SER 402 N -4.68 4.11 -1.04 0.00 2.88 -1.26 -0.03 113.62 113.60 2qmc n SER 402 Ca 0.06 0.87 -0.14 0.00 -1.33 0.00 0.00 58.87 58.34 2qmc n SER 402 Cb 0.53 -1.52 -0.06 0.00 -0.75 0.00 0.00 64.21 62.41 2qmc n SER 402 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2qmc n TYR 403 N 7.70 0.00 -0.41 0.66 4.01 -1.26 -4.81 117.16 123.04 2qmc n TYR 403 Ca 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.95 2qmc n TYR 403 Cb 0.41 -2.48 0.00 0.00 -0.31 0.00 0.00 39.34 36.96 2qmc n TYR 403 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qmc n GLY 404 N -1.18 3.45 0.00 2.72 0.00 0.95 -1.33 105.19 109.81 2qmc n GLY 404 Ca -0.14 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 45.90 2qmc n GLY 404 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qmc n SER 405 N 4.25 0.00 0.00 1.61 3.41 -0.06 -4.50 113.62 118.33 2qmc n SER 405 Ca 0.00 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 2qmc n SER 405 Cb 0.00 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 2qmc n SER 405 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qmc n ALA 406 N -1.24 0.00 -2.80 7.33 0.00 -0.44 -4.99 120.51 118.37 2qmc n ALA 406 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.23 2qmc n ALA 406 Cb 0.19 -0.52 -0.09 0.00 0.00 0.00 0.00 19.45 19.03 2qmc n ALA 406 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qmc s ALA 407 N -2.42 3.50 0.11 0.00 0.00 -1.26 -5.00 121.76 116.70 2qmc s ALA 407 Ca 0.00 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.27 2qmc s ALA 407 Cb 0.00 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.24 2qmc s ALA 407 CO 0.00 0.37 0.07 -1.12 0.00 0.00 0.00 175.76 175.09 2qmc s SER 408 N -0.23 5.38 -0.45 0.00 0.01 -1.26 -0.44 113.70 116.71 2qmc s SER 408 Ca 0.08 -0.10 -0.29 0.00 1.31 0.00 0.00 55.95 56.95 2qmc s SER 408 Cb -0.12 -1.39 0.02 0.00 0.21 0.00 0.00 66.02 64.74 2qmc s SER 408 CO 0.01 0.14 1.33 -0.63 0.41 0.00 0.00 173.24 174.50 2qmc s ILE 409 N -1.50 3.98 0.16 1.44 -1.09 -0.66 -4.92 121.20 118.62 2qmc s ILE 409 Ca 0.29 0.98 -0.34 0.00 -2.23 0.00 0.00 60.65 59.36 2qmc s ILE 409 Cb -0.11 -4.36 -0.14 0.00 -1.58 0.00 0.00 42.46 36.27 2qmc s ILE 409 CO 0.21 -0.89 1.53 -0.67 -1.23 0.00 0.00 174.94 173.90 2qmc n ASP 410 N 8.61 2.89 0.00 3.58 2.03 -1.26 -1.24 116.55 131.16 2qmc n ASP 410 Ca 0.15 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.55 2qmc n ASP 410 Cb 0.48 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 2qmc n ASP 410 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qmc n GLY 411 N 3.17 2.21 0.00 0.27 0.00 -1.26 -4.82 105.19 104.76 2qmc n GLY 411 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 2qmc n GLY 411 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qmc n ALA 412 N -0.81 2.41 -1.01 4.61 0.00 -0.38 -5.04 120.51 120.28 2qmc n ALA 412 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 53.44 53.26 2qmc n ALA 412 Cb 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 19.45 19.20 2qmc n ALA 412 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qmc n GLY 413 N 1.88 0.43 3.36 0.00 0.00 -1.04 -5.00 105.19 104.82 2qmc n GLY 413 Ca -0.01 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 2qmc n GLY 413 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qmc s PHE 414 N -1.83 2.32 0.28 1.61 -0.12 -1.26 -4.99 117.98 113.99 2qmc s PHE 414 Ca 0.00 -0.40 -0.29 0.00 -0.05 0.00 0.00 56.93 56.19 2qmc s PHE 414 Cb 0.00 -1.35 -0.09 0.00 -0.63 0.00 0.00 43.02 40.95 2qmc s PHE 414 CO 0.00 0.19 1.04 -0.51 -0.05 0.00 0.00 175.22 175.89 2qmc s LEU 415 N -1.48 4.53 0.30 -1.99 1.43 -1.26 -1.65 118.68 118.55 2qmc s LEU 415 Ca 0.12 2.12 -0.28 0.00 -1.03 0.00 0.00 54.13 55.07 2qmc s LEU 415 Cb -0.10 -3.70 -0.09 0.00 0.03 0.00 0.00 46.19 42.32 2qmc s LEU 415 CO 0.03 -0.08 1.00 -0.76 0.23 0.00 0.00 176.35 176.77 2qmc s LEU 416 N -1.52 4.47 0.70 1.79 1.43 0.41 -4.94 118.68 121.02 2qmc s LEU 416 Ca 0.45 2.01 -0.16 0.00 -1.03 0.00 0.00 54.13 55.41 2qmc s LEU 416 Cb -0.28 -3.81 0.02 0.00 0.03 0.00 0.00 46.19 42.15 2qmc s LEU 416 CO 0.36 -0.07 1.19 0.54 0.23 0.00 0.00 176.35 178.60 2qmc s ASN 417 N -1.28 4.50 -0.61 2.29 2.20 -1.26 -0.88 114.94 119.89 2qmc s ASN 417 Ca 0.47 2.30 0.02 0.00 -0.94 0.00 0.00 52.86 54.70 2qmc s ASN 417 Cb -0.25 -2.58 0.40 0.00 -2.00 0.00 0.00 41.25 36.82 2qmc s ASN 417 CO 0.31 -2.05 1.60 -0.46 -2.94 0.00 0.00 177.10 173.56 2qmc n ASN 418 N -2.50 6.23 0.24 3.54 6.94 -0.48 -4.02 115.26 125.20 2qmc n ASN 418 Ca 0.13 -3.78 0.16 0.00 -0.02 0.00 0.00 54.58 51.07 2qmc n ASN 418 Cb 0.50 -0.75 0.73 0.00 -2.36 0.00 0.00 39.78 37.90 2qmc n ASN 418 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2qmc h GLU 419 N 2.63 0.00 -0.04 -3.83 4.57 -1.94 -2.75 114.58 113.21 2qmc h GLU 419 Ca 0.45 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.65 2qmc h GLU 419 Cb 0.62 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.21 2qmc h GLU 419 CO 1.17 0.00 0.04 0.52 -1.18 0.00 0.00 179.01 179.56 2qmc h MET 420 N 0.00 0.00 0.00 1.92 2.86 -1.97 -0.93 114.93 116.80 2qmc h MET 420 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2qmc h MET 420 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2qmc h MET 420 CO 0.00 0.00 0.00 -3.47 1.06 0.00 0.00 176.91 174.50 2qmc n ASP 421 N -4.02 0.00 0.07 1.22 2.03 -1.04 -2.06 116.55 112.75 2qmc n ASP 421 Ca -0.02 0.34 0.13 0.00 0.52 0.00 0.00 54.79 55.77 2qmc n ASP 421 Cb 0.14 -0.43 0.47 0.00 -0.72 0.00 0.00 41.12 40.57 2qmc n ASP 421 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2qmc n ASP 422 N -1.43 0.53 -4.75 1.67 9.92 -0.35 -4.64 116.55 117.49 2qmc n ASP 422 Ca 0.06 0.52 -0.30 0.00 -0.53 0.00 0.00 54.79 54.53 2qmc n ASP 422 Cb 0.19 -0.64 0.11 0.00 -0.64 0.00 0.00 41.12 40.14 2qmc n ASP 422 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2qmc s PHE 423 N -3.07 2.53 -0.35 1.24 0.08 -0.88 -3.89 117.98 113.64 2qmc s PHE 423 Ca 0.12 1.32 -0.25 0.00 0.12 0.00 0.00 56.93 58.23 2qmc s PHE 423 Cb 0.15 -3.11 0.01 0.00 -0.57 0.00 0.00 43.02 39.50 2qmc s PHE 423 CO 0.58 -2.05 0.90 0.45 -0.10 0.00 0.00 175.22 175.00 2qmc s SER 424 N -3.53 6.68 0.09 1.36 0.15 0.13 -4.93 113.70 113.65 2qmc s SER 424 Ca 0.62 0.61 0.24 0.00 0.70 0.00 0.00 55.95 58.12 2qmc s SER 424 Cb -0.17 -2.45 0.39 0.00 -1.71 0.00 0.00 66.02 62.08 2qmc s SER 424 CO 0.56 -0.81 1.34 2.30 1.20 0.00 0.00 173.24 177.84 2qmc n ILE 425 N 5.88 0.27 -3.63 6.45 -5.35 -1.26 -3.98 119.36 117.73 2qmc n ILE 425 Ca 0.07 -0.21 -0.12 0.00 -0.27 0.00 0.00 62.75 62.22 2qmc n ILE 425 Cb 0.48 -0.05 -0.07 0.00 -1.74 0.00 0.00 39.64 38.26 2qmc n ILE 425 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2qmc s LYS 426 N -3.13 0.75 0.20 6.28 2.20 -1.26 -5.01 119.74 119.77 2qmc s LYS 426 Ca 0.07 0.99 -0.33 0.00 -0.36 0.00 0.00 55.97 56.34 2qmc s LYS 426 Cb 0.14 0.32 -0.13 0.00 -1.51 0.00 0.00 37.83 36.65 2qmc s LYS 426 CO 0.71 -0.10 1.60 -2.30 -0.36 0.00 0.00 175.35 174.90 2qmc n PRO 427 N 3.01 2.38 -0.74 4.03 -0.02 -1.26 -1.73 135.00 140.66 2qmc n PRO 427 Ca -0.15 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2qmc n PRO 427 Cb 0.56 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 2qmc n PRO 427 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qmc n GLY 428 N 3.24 1.33 3.67 -1.23 0.00 -0.67 -5.01 105.19 106.53 2qmc n GLY 428 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 2qmc n GLY 428 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qmc s ASN 429 N -3.12 7.03 0.19 1.61 3.84 -0.71 -4.89 114.94 118.89 2qmc s ASN 429 Ca 0.00 1.69 -0.30 0.00 0.21 0.00 0.00 52.86 54.46 2qmc s ASN 429 Cb 0.00 -2.55 -0.08 0.00 -0.55 0.00 0.00 41.25 38.07 2qmc s ASN 429 CO 0.00 -0.65 1.15 -2.16 -2.79 0.00 0.00 177.10 172.65 2qmc s PRO 430 N 2.83 4.54 0.00 0.43 0.05 -1.26 -4.53 135.00 137.06 2qmc s PRO 430 Ca 0.53 1.82 0.00 0.00 0.05 0.00 0.00 61.00 63.40 2qmc s PRO 430 Cb -0.22 -3.25 0.00 0.00 0.05 0.00 0.00 34.50 31.08 2qmc s PRO 430 CO 0.17 -0.01 0.00 0.27 0.05 0.00 0.00 177.00 177.48 2qmc n ASN 431 N 2.34 0.00 -0.18 6.66 6.94 -0.38 -4.81 115.26 125.83 2qmc n ASN 431 Ca 0.03 -0.63 0.28 0.00 -0.02 0.00 0.00 54.58 54.24 2qmc n ASN 431 Cb 0.45 0.00 0.71 0.00 -2.36 0.00 0.00 39.78 38.58 2qmc n ASN 431 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2qmc h LEU 432 N 0.00 0.03 -2.98 -4.53 3.38 -1.90 -0.76 115.31 108.56 2qmc h LEU 432 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qmc h LEU 432 Cb 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2qmc h LEU 432 CO 0.00 0.01 0.00 -1.22 0.09 0.00 0.00 178.44 177.32 2qmc n TYR 433 N -4.29 0.91 -1.12 1.13 4.01 -1.26 -4.95 117.16 111.59 2qmc n TYR 433 Ca 0.18 -0.58 -0.04 0.00 -0.16 0.00 0.00 57.90 57.30 2qmc n TYR 433 Cb 0.93 -0.12 -0.02 0.00 -0.31 0.00 0.00 39.34 39.82 2qmc n TYR 433 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qmc n GLY 434 N 0.76 0.69 3.82 2.72 0.00 -0.29 -4.72 105.19 108.17 2qmc n GLY 434 Ca 0.19 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 2qmc n GLY 434 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qmc s LEU 435 N -0.95 4.36 0.29 0.99 1.43 -1.26 -4.56 118.68 118.98 2qmc s LEU 435 Ca 0.00 1.33 0.05 0.00 -1.03 0.00 0.00 54.13 54.49 2qmc s LEU 435 Cb 0.00 -3.45 -0.06 0.00 0.03 0.00 0.00 46.19 42.71 2qmc s LEU 435 CO 0.00 0.07 -0.02 0.68 0.23 0.00 0.00 176.35 177.31 2qmc s VAL 436 N -1.47 1.45 0.10 -1.59 -7.23 -1.26 -1.25 120.40 109.15 2qmc s VAL 436 Ca 0.41 -2.07 -0.05 0.00 -1.81 0.00 0.00 61.98 58.45 2qmc s VAL 436 Cb -0.17 -2.53 0.02 0.00 0.56 0.00 0.00 36.38 34.26 2qmc s VAL 436 CO 0.21 -0.23 0.24 0.61 -0.31 0.00 0.00 175.10 175.62 2qmc n GLY 437 N -0.59 1.58 0.00 2.32 0.00 -1.26 -4.99 105.19 102.24 2qmc n GLY 437 Ca -0.05 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2qmc n GLY 437 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qmc n GLY 438 N -0.16 3.36 0.14 -0.02 0.00 -1.26 -1.67 105.19 105.58 2qmc n GLY 438 Ca -0.02 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 2qmc n GLY 438 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qmc h ASP 439 N 0.00 0.47 -0.76 1.61 3.32 -1.97 -3.03 116.42 116.05 2qmc h ASP 439 Ca 0.00 -0.63 0.05 0.00 0.02 0.00 0.00 57.03 56.47 2qmc h ASP 439 Cb 0.00 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.36 2qmc h ASP 439 CO 0.00 1.02 0.47 0.00 -1.72 0.00 0.00 179.24 179.01 2qmc h ALA 440 N 0.46 1.02 -0.53 3.45 0.00 -2.01 -2.43 119.26 119.22 2qmc h ALA 440 Ca -0.02 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 2qmc h ALA 440 Cb 1.00 -0.21 -0.15 0.00 0.00 0.00 0.00 17.79 18.43 2qmc h ALA 440 CO 0.08 0.21 0.13 -1.71 0.00 0.00 0.00 179.25 177.95 2qmc n ASN 441 N -4.67 3.06 -4.79 0.00 5.15 -1.26 -4.98 115.26 107.77 2qmc n ASN 441 Ca 0.10 -3.64 -0.33 0.00 -0.60 0.00 0.00 54.58 50.11 2qmc n ASN 441 Cb 0.14 -0.69 0.03 0.00 -0.53 0.00 0.00 39.78 38.74 2qmc n ASN 441 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qmc s ALA 442 N -3.21 2.60 0.21 5.20 0.00 -0.92 -0.69 121.76 124.95 2qmc s ALA 442 Ca 0.48 0.44 -0.30 0.00 0.00 0.00 0.00 51.96 52.57 2qmc s ALA 442 Cb 0.42 -3.27 -0.10 0.00 0.00 0.00 0.00 23.12 20.18 2qmc s ALA 442 CO 0.04 -1.08 1.45 0.42 0.00 0.00 0.00 175.76 176.59 2qmc s ILE 443 N -2.46 2.75 0.03 0.00 1.01 -1.26 -4.87 121.20 116.40 2qmc s ILE 443 Ca 0.65 0.60 0.01 0.00 0.00 0.00 0.00 60.65 61.90 2qmc s ILE 443 Cb -0.18 -3.38 -0.02 0.00 0.01 0.00 0.00 42.46 38.89 2qmc s ILE 443 CO 0.41 0.08 -0.05 -1.61 0.00 0.00 0.00 174.94 173.77 2qmc s GLU 444 N 0.12 0.39 0.26 2.79 2.02 -1.26 -5.10 118.70 117.91 2qmc s GLU 444 Ca 0.62 -0.61 -0.30 0.00 0.02 0.00 0.00 54.97 54.70 2qmc s GLU 444 Cb -0.41 -0.09 -0.14 0.00 0.10 0.00 0.00 34.13 33.59 2qmc s GLU 444 CO 0.39 0.00 1.26 0.00 0.02 0.00 0.00 175.26 176.93 2qmc n ALA 445 N 1.71 0.52 0.00 5.21 0.00 -1.26 -2.30 120.51 124.39 2qmc n ALA 445 Ca -0.22 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2qmc n ALA 445 Cb 0.55 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.83 2qmc n ALA 445 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qmc n ASN 446 N 1.67 0.00 -4.78 0.00 5.03 -1.26 -4.99 115.26 110.94 2qmc n ASN 446 Ca 0.10 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.20 2qmc n ASN 446 Cb 0.31 -0.43 -0.01 0.00 -1.02 0.00 0.00 39.78 38.63 2qmc n ASN 446 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 2qmc s LYS 447 N 0.00 3.55 -0.16 3.52 2.20 -0.97 -5.04 119.74 122.85 2qmc s LYS 447 Ca 0.00 1.60 -0.15 0.00 -0.36 0.00 0.00 55.97 57.05 2qmc s LYS 447 Cb 0.00 -2.13 -0.04 0.00 -1.51 0.00 0.00 37.83 34.15 2qmc s LYS 447 CO 0.00 -0.68 0.35 1.03 -0.36 0.00 0.00 175.35 175.69 2qmc s ARG 448 N -3.12 4.27 0.35 4.03 0.52 -1.26 -4.88 118.95 118.86 2qmc s ARG 448 Ca 0.69 0.20 -0.28 0.00 -0.52 0.00 0.00 55.73 55.82 2qmc s ARG 448 Cb -0.23 -3.44 -0.10 0.00 0.52 0.00 0.00 34.95 31.69 2qmc s ARG 448 CO 0.27 0.18 1.33 -1.25 0.02 0.00 0.00 175.30 175.85 2qmc s PRO 449 N 0.63 4.27 0.24 3.54 0.04 -1.26 -4.93 135.00 137.51 2qmc s PRO 449 Ca 0.19 2.26 -0.31 0.00 0.04 0.00 0.00 61.00 63.18 2qmc s PRO 449 Cb -0.14 -3.01 -0.13 0.00 0.04 0.00 0.00 34.50 31.26 2qmc s PRO 449 CO 0.06 -0.28 1.40 -0.11 0.04 0.00 0.00 177.00 178.11 2qmc n LEU 450 N 0.65 3.03 -4.72 -3.56 7.94 -1.25 -4.90 117.00 114.18 2qmc n LEU 450 Ca 0.01 1.14 -0.23 0.00 -1.11 0.00 0.00 56.01 55.82 2qmc n LEU 450 Cb 0.42 -1.42 -0.07 0.00 0.53 0.00 0.00 43.42 42.88 2qmc n LEU 450 CO 0.59 -0.53 -0.21 -0.55 -1.11 0.00 0.00 177.39 175.59 2qmc s SER 451 N 0.28 4.64 0.00 1.96 0.15 -1.26 -4.71 113.70 114.76 2qmc s SER 451 Ca 0.68 -0.79 0.12 0.00 0.70 0.00 0.00 55.95 56.66 2qmc s SER 451 Cb -0.66 -0.72 0.19 0.00 -1.71 0.00 0.00 66.02 63.12 2qmc s SER 451 CO 0.50 -0.28 1.04 -1.20 1.20 0.00 0.00 173.24 174.49 2qmc n SER 452 N -1.13 2.41 -4.75 5.45 7.64 -1.26 -5.05 113.62 116.94 2qmc n SER 452 Ca -0.03 -1.71 -0.41 0.00 1.01 0.00 0.00 58.87 57.73 2qmc n SER 452 Cb 0.61 -0.10 -0.02 0.00 -1.01 0.00 0.00 64.21 63.69 2qmc n SER 452 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2qmc s MET 453 N -1.00 4.16 -0.42 1.43 -1.94 -1.26 -4.25 119.30 116.01 2qmc s MET 453 Ca 0.18 2.51 0.10 0.00 -1.71 0.00 0.00 55.69 56.77 2qmc s MET 453 Cb 0.11 -3.05 0.40 0.00 2.01 0.00 0.00 34.83 34.30 2qmc s MET 453 CO 0.16 -0.58 0.96 0.43 -0.01 0.00 0.00 175.02 175.97 2qmc n SER 454 N 2.26 3.02 -4.71 3.03 7.64 -1.26 -5.05 113.62 118.54 2qmc n SER 454 Ca 0.08 -3.30 -0.42 0.00 1.01 0.00 0.00 58.87 56.24 2qmc n SER 454 Cb 0.38 -0.53 -0.03 0.00 -1.01 0.00 0.00 64.21 63.02 2qmc n SER 454 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2qmc s PRO 455 N -3.20 4.17 0.03 1.43 0.04 -1.26 -4.58 135.00 131.64 2qmc s PRO 455 Ca 0.41 2.48 0.02 0.00 0.04 0.00 0.00 61.00 63.95 2qmc s PRO 455 Cb 0.38 -3.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.69 2qmc s PRO 455 CO -0.09 -0.70 -0.07 0.99 0.04 0.00 0.00 177.00 177.17 2qmc s THR 456 N 1.44 0.49 -0.08 1.26 2.01 0.30 -5.01 115.64 116.06 2qmc s THR 456 Ca 0.73 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.81 2qmc s THR 456 Cb -0.46 -0.55 0.01 0.00 0.01 0.00 0.00 72.50 71.52 2qmc s THR 456 CO 0.32 -0.32 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.17 2qmc s ILE 457 N -1.20 1.27 -0.16 1.82 1.01 -1.26 -1.03 121.20 121.65 2qmc s ILE 457 Ca -0.09 -0.53 -0.06 0.00 0.00 0.00 0.00 60.65 59.98 2qmc s ILE 457 Cb -0.09 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 2qmc s ILE 457 CO 0.00 0.39 0.03 -0.69 0.00 0.00 0.00 174.94 174.68 2qmc s VAL 458 N 0.86 4.54 -0.01 2.92 1.01 0.91 -4.96 120.40 125.66 2qmc s VAL 458 Ca -0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 2qmc s VAL 458 Cb -0.15 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2qmc s VAL 458 CO 0.01 0.49 0.08 -0.76 0.00 0.00 0.00 175.10 174.92 2qmc s LEU 459 N 0.18 3.88 -0.12 3.92 1.43 -1.26 -0.55 118.68 126.16 2qmc s LEU 459 Ca 0.03 0.16 -0.00 0.00 -1.03 0.00 0.00 54.13 53.28 2qmc s LEU 459 Cb -0.13 -2.22 0.02 0.00 0.03 0.00 0.00 46.19 43.89 2qmc s LEU 459 CO 0.01 0.29 -0.09 -0.75 0.23 0.00 0.00 176.35 176.04 2qmc s LYS 460 N -1.64 1.65 -1.45 1.70 2.20 0.29 -4.71 119.74 117.79 2qmc s LYS 460 Ca 0.22 -0.30 -0.09 0.00 -0.36 0.00 0.00 55.97 55.43 2qmc s LYS 460 Cb -0.12 -1.67 0.05 0.00 -1.51 0.00 0.00 37.83 34.58 2qmc s LYS 460 CO 0.13 -0.26 0.76 0.09 -0.36 0.00 0.00 175.35 175.71 2qmc n ASN 461 N 4.91 -5.13 -0.80 1.43 3.02 -1.26 -1.62 115.26 115.80 2qmc n ASN 461 Ca -0.13 -0.49 -0.10 0.00 -0.03 0.00 0.00 54.58 53.82 2qmc n ASN 461 Cb 0.50 -4.14 -0.04 0.00 -0.61 0.00 0.00 39.78 35.49 2qmc n ASN 461 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2qmc n ASN 462 N -2.61 -4.63 -4.59 6.41 3.02 -1.26 -5.00 115.26 106.59 2qmc n ASN 462 Ca -0.02 0.26 -0.30 0.00 -0.03 0.00 0.00 54.58 54.49 2qmc n ASN 462 Cb 0.56 -3.05 -0.10 0.00 -0.61 0.00 0.00 39.78 36.58 2qmc n ASN 462 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2qmc s LYS 463 N -2.74 2.18 0.15 3.52 1.02 -0.64 -5.08 119.74 118.16 2qmc s LYS 463 Ca 0.00 -1.00 -0.33 0.00 0.02 0.00 0.00 55.97 54.66 2qmc s LYS 463 Cb 0.00 -2.34 -0.12 0.00 -0.52 0.00 0.00 37.83 34.85 2qmc s LYS 463 CO 0.00 0.51 1.72 0.28 -0.92 0.00 0.00 175.35 176.94 2qmc n VAL 464 N 0.67 0.14 0.01 3.17 0.31 -1.26 -0.54 118.33 120.82 2qmc n VAL 464 Ca -0.13 -0.03 -0.02 0.00 -0.01 0.00 0.00 64.34 64.15 2qmc n VAL 464 Cb 0.52 -1.87 -0.01 0.00 -0.91 0.00 0.00 33.84 31.57 2qmc n VAL 464 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2qmc n PHE 465 N 4.44 0.00 -4.64 3.52 7.35 0.28 -4.53 117.46 123.88 2qmc n PHE 465 Ca 0.17 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.61 2qmc n PHE 465 Cb 0.33 -0.08 -0.14 0.00 0.35 0.00 0.00 39.48 39.94 2qmc n PHE 465 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2qmc s LEU 466 N -6.61 2.15 -0.14 -2.13 1.43 -0.57 -0.72 118.68 112.08 2qmc s LEU 466 Ca -0.03 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 2qmc s LEU 466 Cb 0.01 -0.93 0.02 0.00 0.03 0.00 0.00 46.19 45.32 2qmc s LEU 466 CO 0.05 0.15 -0.15 -0.69 0.23 0.00 0.00 176.35 175.94 2qmc s VAL 467 N -0.76 1.57 -0.04 -1.59 1.01 -0.34 -0.07 120.40 120.18 2qmc s VAL 467 Ca 0.07 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.21 2qmc s VAL 467 Cb -0.08 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.87 2qmc s VAL 467 CO 0.01 0.46 0.42 0.54 0.00 0.00 0.00 175.10 176.54 2qmc s VAL 468 N 1.37 0.04 -0.08 2.92 0.11 -0.19 -1.05 120.40 123.51 2qmc s VAL 468 Ca 0.02 -0.30 -0.31 0.00 -2.93 0.00 0.00 61.98 58.47 2qmc s VAL 468 Cb -0.13 -0.72 0.10 0.00 -1.53 0.00 0.00 36.38 34.10 2qmc s VAL 468 CO -0.09 -0.17 1.36 -0.83 -3.33 0.00 0.00 175.10 172.05 2qmc s GLY 469 N -1.14 -0.22 -0.05 6.54 0.00 -1.26 -0.54 107.32 110.65 2qmc s GLY 469 Ca -0.12 0.20 -0.29 0.00 0.00 0.00 0.00 44.72 44.51 2qmc s GLY 469 CO 0.05 6.29 0.85 -0.45 0.00 0.00 0.00 173.10 179.84 2qmc s SER 470 N -3.88 -0.45 0.90 1.64 0.15 -1.26 -3.60 113.70 107.20 2qmc s SER 470 Ca 0.31 0.29 -0.10 0.00 0.70 0.00 0.00 55.95 57.14 2qmc s SER 470 Cb 0.01 0.41 0.18 0.00 -1.71 0.00 0.00 66.02 64.91 2qmc s SER 470 CO -0.03 -0.56 1.11 -0.81 1.20 0.00 0.00 173.24 174.15 2qmc n PRO 471 N 0.31 -0.80 0.00 5.44 -0.04 -1.26 -4.65 135.00 134.00 2qmc n PRO 471 Ca -0.12 -2.10 0.00 0.00 -0.04 0.00 0.00 63.50 61.24 2qmc n PRO 471 Cb 0.60 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 33.03 2qmc n PRO 471 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qmc n GLY 472 N -2.64 -0.14 7.00 0.55 0.00 -1.26 -4.29 105.19 104.40 2qmc n GLY 472 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2qmc n GLY 472 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qmc n GLY 473 N 0.00 3.56 0.34 -0.02 0.00 -1.26 -0.94 105.19 106.87 2qmc n GLY 473 Ca 0.00 -0.03 0.18 0.00 0.00 0.00 0.00 46.02 46.17 2qmc n GLY 473 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qmc h SER 474 N 0.00 0.00 0.84 1.61 4.64 -1.95 -1.57 113.55 117.12 2qmc h SER 474 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qmc h SER 474 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qmc h SER 474 CO 0.00 0.00 -0.02 0.54 -0.87 0.00 0.00 176.83 176.48 2qmc n ARG 475 N -3.53 0.15 0.03 4.77 3.00 -0.11 -4.01 116.66 116.96 2qmc n ARG 475 Ca 0.00 -0.01 -0.11 0.00 -0.01 0.00 0.00 57.85 57.73 2qmc n ARG 475 Cb 0.29 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 31.19 2qmc n ARG 475 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 2qmc h ILE 476 N 0.01 0.86 -0.49 0.55 2.04 -1.38 -0.87 117.51 118.24 2qmc h ILE 476 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 2qmc h ILE 476 Cb 0.43 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 2qmc h ILE 476 CO 0.00 0.00 0.30 0.40 0.00 0.00 0.00 178.15 178.85 2qmc h ILE 477 N -0.07 1.06 -0.06 -0.67 2.04 -1.74 -0.71 117.51 117.37 2qmc h ILE 477 Ca 0.03 -0.21 -0.19 0.00 1.00 0.00 0.00 64.86 65.49 2qmc h ILE 477 Cb 0.12 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2qmc h ILE 477 CO -0.08 0.11 -0.77 0.71 0.00 0.00 0.00 178.15 178.12 2qmc h THR 478 N 0.60 1.39 -0.03 -0.27 1.35 -1.77 -2.01 112.91 112.17 2qmc h THR 478 Ca 0.20 -2.22 -0.00 0.00 -0.55 0.00 0.00 66.41 63.83 2qmc h THR 478 Cb 0.00 2.19 -0.00 0.00 -1.73 0.00 0.00 68.15 68.61 2qmc h THR 478 CO -0.08 0.67 0.02 0.74 -0.25 0.00 0.00 175.52 176.61 2qmc h THR 479 N 0.26 1.04 -0.54 6.82 2.02 -0.75 -1.69 112.91 120.07 2qmc h THR 479 Ca -0.04 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 66.96 2qmc h THR 479 Cb 1.36 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.82 2qmc h THR 479 CO 0.13 0.03 0.12 0.58 0.37 0.00 0.00 175.52 176.75 2qmc h VAL 480 N -0.00 1.25 -0.06 3.16 2.07 -1.12 -2.38 116.25 119.17 2qmc h VAL 480 Ca 0.01 -0.90 -0.10 0.00 0.82 0.00 0.00 66.70 66.52 2qmc h VAL 480 Cb 0.04 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2qmc h VAL 480 CO -0.00 0.33 -0.44 0.17 0.02 0.00 0.00 177.57 177.65 2qmc h LEU 481 N 0.77 0.14 -0.55 2.57 8.10 -1.29 -2.32 115.31 122.73 2qmc h LEU 481 Ca 0.17 -0.06 -0.07 0.00 0.11 0.00 0.00 57.88 58.03 2qmc h LEU 481 Cb 0.37 -0.04 -0.02 0.00 -0.44 0.00 0.00 40.66 40.53 2qmc h LEU 481 CO 0.01 0.56 0.07 1.56 -4.11 0.00 0.00 178.44 176.52 2qmc h GLN 482 N 0.11 0.93 -0.44 0.17 4.20 -1.07 -0.02 115.11 118.99 2qmc h GLN 482 Ca 0.01 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.44 2qmc h GLN 482 Cb 0.82 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 2qmc h GLN 482 CO 0.06 0.91 0.21 0.28 -0.67 0.00 0.00 178.83 179.62 2qmc h VAL 483 N 0.81 1.18 -0.22 -0.54 2.07 -1.13 0.11 116.25 118.53 2qmc h VAL 483 Ca 0.16 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 2qmc h VAL 483 Cb 0.44 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2qmc h VAL 483 CO 0.02 0.20 0.13 0.40 0.02 0.00 0.00 177.57 178.33 2qmc h ILE 484 N 0.57 1.09 -0.72 4.57 2.04 -1.31 -2.40 117.51 121.35 2qmc h ILE 484 Ca 0.15 -0.23 0.03 0.00 1.00 0.00 0.00 64.86 65.81 2qmc h ILE 484 Cb 0.12 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 2qmc h ILE 484 CO -0.02 0.09 0.45 -1.28 0.00 0.00 0.00 178.15 177.39 2qmc h SER 485 N 0.26 0.73 -0.98 1.72 0.87 -0.76 -0.60 113.55 114.79 2qmc h SER 485 Ca 0.08 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.66 2qmc h SER 485 Cb 0.03 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 61.79 2qmc h SER 485 CO -0.01 0.50 0.65 0.78 -0.53 0.00 0.00 176.83 178.22 2qmc h ASN 486 N 0.87 1.11 0.25 6.23 2.35 -0.51 0.50 115.58 126.38 2qmc h ASN 486 Ca 0.29 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 2qmc h ASN 486 Cb 0.03 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.14 2qmc h ASN 486 CO -0.12 0.79 -0.12 0.58 -1.65 0.00 0.00 177.43 176.91 2qmc h VAL 487 N 1.30 0.79 0.05 2.81 2.07 -1.10 -2.01 116.25 120.16 2qmc h VAL 487 Ca 0.37 -0.65 -0.11 0.00 0.82 0.00 0.00 66.70 67.13 2qmc h VAL 487 Cb -0.10 1.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2qmc h VAL 487 CO -0.10 0.13 -0.48 0.40 0.02 0.00 0.00 177.57 177.55 2qmc h ILE 488 N -0.70 1.55 0.06 4.57 2.04 -0.70 -2.15 117.51 122.18 2qmc h ILE 488 Ca -0.03 -2.25 -0.26 0.00 1.00 0.00 0.00 64.86 63.31 2qmc h ILE 488 Cb 0.48 2.99 0.02 0.00 -0.74 0.00 0.00 36.82 39.57 2qmc h ILE 488 CO 0.06 0.63 -1.10 0.44 0.00 0.00 0.00 178.15 178.17 2qmc h ASP 489 N -0.46 0.70 -0.01 1.72 3.32 -0.21 -3.38 116.42 118.10 2qmc h ASP 489 Ca -0.07 -0.61 0.00 0.00 0.02 0.00 0.00 57.03 56.36 2qmc h ASP 489 Cb 1.29 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2qmc h ASP 489 CO 0.09 1.43 -0.10 -1.22 -1.72 0.00 0.00 179.24 177.72 2qmc n TYR 490 N -3.75 0.00 -2.92 4.55 4.01 -1.08 -5.00 117.16 112.98 2qmc n TYR 490 Ca -0.10 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.42 2qmc n TYR 490 Cb 0.92 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.98 2qmc n TYR 490 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2qmc n ASN 491 N 0.22 -6.15 -4.78 7.72 5.03 -0.81 -4.97 115.26 111.53 2qmc n ASN 491 Ca 0.05 -0.24 -0.36 0.00 0.87 0.00 0.00 54.58 54.90 2qmc n ASN 491 Cb 0.25 -4.99 -0.03 0.00 -1.02 0.00 0.00 39.78 33.99 2qmc n ASN 491 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 2qmc s MET 492 N -5.60 4.02 0.99 3.52 -1.94 -0.78 -5.00 119.30 114.51 2qmc s MET 492 Ca 0.26 1.57 -0.14 0.00 -1.71 0.00 0.00 55.69 55.67 2qmc s MET 492 Cb -0.11 -2.46 0.18 0.00 2.01 0.00 0.00 34.83 34.45 2qmc s MET 492 CO 0.32 -0.28 1.14 0.54 -0.01 0.00 0.00 175.02 176.72 2qmc s ASN 493 N -1.55 2.80 0.30 3.03 2.20 -1.26 -4.39 114.94 116.07 2qmc s ASN 493 Ca 0.60 0.90 0.01 0.00 -0.94 0.00 0.00 52.86 53.43 2qmc s ASN 493 Cb -0.23 -1.40 0.48 0.00 -2.00 0.00 0.00 41.25 38.09 2qmc s ASN 493 CO 0.29 -2.99 1.86 -0.29 -2.94 0.00 0.00 177.10 173.03 2qmc h ILE 494 N -1.80 1.21 -0.27 0.54 6.09 -1.97 0.15 117.51 121.47 2qmc h ILE 494 Ca -0.50 -0.74 -0.01 0.00 -1.37 0.00 0.00 64.86 62.24 2qmc h ILE 494 Cb 1.32 0.68 -0.01 0.00 0.47 0.00 0.00 36.82 39.28 2qmc h ILE 494 CO 0.55 0.28 0.12 -1.28 -3.07 0.00 0.00 178.15 174.74 2qmc h SER 495 N 0.73 0.36 -0.54 2.19 0.87 -1.93 -0.65 113.55 114.58 2qmc h SER 495 Ca 0.17 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 2qmc h SER 495 Cb 0.25 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 2qmc h SER 495 CO -0.00 0.41 0.23 -0.33 -0.53 0.00 0.00 176.83 176.60 2qmc h GLU 496 N 0.29 0.80 -0.58 2.24 5.08 -1.80 -1.29 114.58 119.33 2qmc h GLU 496 Ca 0.09 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2qmc h GLU 496 Cb 0.15 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2qmc h GLU 496 CO -0.01 0.69 0.20 0.00 -1.00 0.00 0.00 179.01 178.89 2qmc h ALA 497 N 1.08 1.27 0.05 3.43 0.00 -0.78 -1.14 119.26 123.16 2qmc h ALA 497 Ca 0.18 -0.17 -0.28 0.00 0.00 0.00 0.00 54.91 54.64 2qmc h ALA 497 Cb 0.17 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 17.75 2qmc h ALA 497 CO -0.02 0.53 -1.12 0.28 0.00 0.00 0.00 179.25 178.92 2qmc h VAL 498 N 0.84 1.28 -0.29 0.00 2.07 -0.96 -3.33 116.25 115.85 2qmc h VAL 498 Ca 0.19 -2.32 -0.13 0.00 0.82 0.00 0.00 66.70 65.26 2qmc h VAL 498 Cb 0.21 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 2qmc h VAL 498 CO -0.01 0.71 -0.35 0.28 0.02 0.00 0.00 177.57 178.22 2qmc h SER 499 N 0.34 0.68 -1.90 0.57 0.02 -0.96 -3.46 113.55 108.84 2qmc h SER 499 Ca -0.15 -0.28 -0.65 0.00 -0.84 0.00 0.00 61.79 59.86 2qmc h SER 499 Cb 1.78 -0.19 0.08 0.00 0.14 0.00 0.00 62.40 64.21 2qmc h SER 499 CO 0.22 0.97 0.18 0.00 -1.14 0.00 0.00 176.83 177.06 2qmc n ALA 500 N -2.51 -0.99 -1.63 3.77 0.00 -0.45 -4.87 120.51 113.83 2qmc n ALA 500 Ca -0.01 0.46 -0.38 0.00 0.00 0.00 0.00 53.44 53.51 2qmc n ALA 500 Cb 0.49 -1.98 0.05 0.00 0.00 0.00 0.00 19.45 18.01 2qmc n ALA 500 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2qmc n PRO 501 N 1.55 0.94 -4.62 0.00 -0.02 -1.26 -5.01 135.00 126.58 2qmc n PRO 501 Ca 0.15 0.37 -0.31 0.00 -2.02 0.00 0.00 63.50 61.69 2qmc n PRO 501 Cb 0.25 -2.22 -0.13 0.00 -0.02 0.00 0.00 33.50 31.38 2qmc n PRO 501 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2qmc s ARG 502 N -2.84 2.03 0.45 -0.52 0.52 -1.26 -5.08 118.95 112.25 2qmc s ARG 502 Ca 0.77 -1.01 0.05 0.00 -0.52 0.00 0.00 55.73 55.02 2qmc s ARG 502 Cb -0.41 -2.17 -0.05 0.00 0.52 0.00 0.00 34.95 32.84 2qmc s ARG 502 CO 0.46 0.53 0.08 -0.59 0.02 0.00 0.00 175.30 175.80 2qmc s PHE 503 N -0.95 2.29 -0.25 -0.53 -0.12 -1.26 -3.68 117.98 113.49 2qmc s PHE 503 Ca 0.15 -0.74 -0.18 0.00 -0.05 0.00 0.00 56.93 56.11 2qmc s PHE 503 Cb -0.10 -1.78 0.07 0.00 -0.63 0.00 0.00 43.02 40.57 2qmc s PHE 503 CO 0.06 0.26 0.64 -1.58 -0.05 0.00 0.00 175.22 174.55 2qmc s HIS 504 N -2.74 -0.87 -0.04 3.49 2.46 0.31 -4.80 115.29 113.10 2qmc s HIS 504 Ca 0.28 1.87 -0.00 0.00 0.47 0.00 0.00 55.06 57.68 2qmc s HIS 504 Cb 0.05 0.43 0.03 0.00 -0.13 0.00 0.00 32.58 32.96 2qmc s HIS 504 CO 0.15 -0.43 0.00 1.41 -2.47 0.00 0.00 174.74 173.40 2qmc s MET 505 N 1.09 0.41 -0.10 2.88 0.00 -1.26 -0.56 119.30 121.76 2qmc s MET 505 Ca -0.06 0.09 0.13 0.00 0.00 0.00 0.00 55.69 55.85 2qmc s MET 505 Cb -0.05 -0.66 0.25 0.00 0.00 0.00 0.00 34.83 34.37 2qmc s MET 505 CO -0.11 -0.19 1.12 0.00 0.00 0.00 0.00 175.02 175.85 2qmc n GLN 506 N 4.50 0.89 0.00 4.11 10.64 -1.26 -5.04 117.38 131.21 2qmc n GLN 506 Ca -0.19 -2.23 0.00 0.00 -1.83 0.00 0.00 57.00 52.75 2qmc n GLN 506 Cb 0.50 -1.13 0.00 0.00 -0.86 0.00 0.00 30.24 28.75 2qmc n GLN 506 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.06 177.10 2qmc n TRP 507 N -0.85 0.00 -4.42 2.61 -0.00 -1.26 -4.62 117.44 108.90 2qmc n TRP 507 Ca 0.11 0.00 -0.33 0.00 -0.00 0.00 0.00 57.50 57.29 2qmc n TRP 507 Cb 0.71 0.00 -0.16 0.00 -0.00 0.00 0.00 31.31 31.86 2qmc n TRP 507 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2qmc s LEU 508 N 0.00 2.22 0.63 5.87 1.43 -1.26 -2.50 118.68 125.07 2qmc s LEU 508 Ca 0.00 -0.59 -0.16 0.00 -1.03 0.00 0.00 54.13 52.35 2qmc s LEU 508 Cb 0.00 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 2qmc s LEU 508 CO 0.00 0.05 1.13 -2.16 0.23 0.00 0.00 176.35 175.60 2qmc s PRO 509 N 1.01 2.90 -1.19 1.29 0.04 -1.26 -4.71 135.00 133.09 2qmc s PRO 509 Ca -0.02 1.52 -0.18 0.00 0.04 0.00 0.00 61.00 62.36 2qmc s PRO 509 Cb -0.15 -1.95 0.11 0.00 0.04 0.00 0.00 34.50 32.55 2qmc s PRO 509 CO -0.05 -1.19 1.53 0.34 0.04 0.00 0.00 177.00 177.66 2qmc s ASP 510 N -2.24 6.84 0.00 6.66 -1.08 -1.04 -4.47 116.67 121.34 2qmc s ASP 510 Ca 0.70 -2.42 -0.15 0.00 -0.52 0.00 0.00 52.55 50.16 2qmc s ASP 510 Cb -0.23 -2.50 0.02 0.00 -1.46 0.00 0.00 42.92 38.75 2qmc s ASP 510 CO 0.37 -1.08 0.32 -1.83 0.52 0.00 0.00 175.17 173.47 2qmc s GLU 511 N 3.34 0.72 -0.43 4.34 -1.05 -1.26 -4.68 118.70 119.68 2qmc s GLU 511 Ca 0.47 -0.27 -0.15 0.00 -0.15 0.00 0.00 54.97 54.87 2qmc s GLU 511 Cb 0.00 0.32 0.04 0.00 -0.44 0.00 0.00 34.13 34.05 2qmc s GLU 511 CO 0.01 -0.21 0.33 -1.17 0.95 0.00 0.00 175.26 175.17 2qmc s LEU 512 N -1.53 5.26 -0.07 1.83 2.96 0.09 -4.53 118.68 122.69 2qmc s LEU 512 Ca -0.11 -1.03 -0.24 0.00 -0.22 0.00 0.00 54.13 52.53 2qmc s LEU 512 Cb -0.04 -2.17 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 2qmc s LEU 512 CO 0.02 -0.51 0.74 -0.60 -1.32 0.00 0.00 176.35 174.68 2qmc s ARG 513 N 1.68 4.43 0.38 1.98 3.52 0.27 -1.43 118.95 129.78 2qmc s ARG 513 Ca 0.05 0.94 0.03 0.00 -0.13 0.00 0.00 55.73 56.62 2qmc s ARG 513 Cb -0.21 -3.46 -0.04 0.00 -1.56 0.00 0.00 34.95 29.68 2qmc s ARG 513 CO 0.09 0.02 0.10 0.96 -0.81 0.00 0.00 175.30 175.65 2qmc s ILE 514 N 0.95 0.83 0.14 4.11 -4.36 -0.12 -0.53 121.20 122.22 2qmc s ILE 514 Ca 0.39 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.84 2qmc s ILE 514 Cb -0.18 -2.51 -0.04 0.00 1.25 0.00 0.00 42.46 40.98 2qmc s ILE 514 CO 0.19 0.00 0.03 -1.61 0.24 0.00 0.00 174.94 173.78 2qmc s GLU 515 N -3.80 2.56 0.21 0.37 2.02 -1.24 -1.72 118.70 117.10 2qmc s GLU 515 Ca 0.28 -0.96 -0.32 0.00 0.02 0.00 0.00 54.97 53.99 2qmc s GLU 515 Cb 0.05 -2.48 -0.14 0.00 0.10 0.00 0.00 34.13 31.66 2qmc s GLU 515 CO 0.14 0.49 1.36 1.17 0.02 0.00 0.00 175.26 178.44 2qmc n LYS 516 N 0.07 1.79 -0.97 1.61 4.81 -1.26 -0.88 118.16 123.33 2qmc n LYS 516 Ca -0.10 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 2qmc n LYS 516 Cb 0.54 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.33 2qmc n LYS 516 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2qmc n PHE 517 N 1.93 0.00 0.11 5.64 3.72 -1.26 -4.86 117.46 122.74 2qmc n PHE 517 Ca 0.13 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.60 2qmc n PHE 517 Cb 0.29 -1.58 0.01 0.00 -0.94 0.00 0.00 39.48 37.26 2qmc n PHE 517 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2qmc h GLY 518 N 0.00 0.00 -7.18 1.37 0.00 -1.42 -3.45 103.07 92.39 2qmc h GLY 518 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 2qmc h GLY 518 CO 0.00 0.00 -0.71 -0.29 0.00 0.00 0.00 176.54 175.54 2qmc s MET 519 N -3.17 -0.04 0.71 4.80 -2.45 -1.26 -4.81 119.30 113.09 2qmc s MET 519 Ca 0.01 0.41 -0.11 0.00 -1.25 0.00 0.00 55.69 54.75 2qmc s MET 519 Cb 0.08 -0.51 0.02 0.00 1.25 0.00 0.00 34.83 35.67 2qmc s MET 519 CO 0.77 -0.34 1.07 -1.25 1.05 0.00 0.00 175.02 176.32 2qmc s PRO 520 N 2.21 2.81 0.27 4.11 0.04 -1.26 -4.77 135.00 138.40 2qmc s PRO 520 Ca 0.04 0.77 -0.01 0.00 0.04 0.00 0.00 61.00 61.84 2qmc s PRO 520 Cb -0.12 -1.99 0.60 0.00 0.04 0.00 0.00 34.50 33.03 2qmc s PRO 520 CO -0.04 -1.14 1.67 0.00 0.04 0.00 0.00 177.00 177.53 2qmc h ALA 521 N -0.74 1.15 -0.85 8.56 0.00 -2.01 -0.86 119.26 124.51 2qmc h ALA 521 Ca -0.45 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2qmc h ALA 521 Cb 1.23 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 2qmc h ALA 521 CO 0.59 -0.38 0.51 -0.44 0.00 0.00 0.00 179.25 179.53 2qmc h ASP 522 N 0.27 1.02 -0.15 0.00 5.19 -1.99 0.25 116.42 121.02 2qmc h ASP 522 Ca 0.49 -0.07 -0.09 0.00 -0.62 0.00 0.00 57.03 56.75 2qmc h ASP 522 Cb 0.92 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 40.17 2qmc h ASP 522 CO -0.57 0.79 -0.25 0.58 -3.12 0.00 0.00 179.24 176.67 2qmc h VAL 523 N 1.17 1.36 -0.61 -1.35 2.07 -1.65 -2.40 116.25 114.84 2qmc h VAL 523 Ca 0.31 -1.49 0.02 0.00 0.82 0.00 0.00 66.70 66.36 2qmc h VAL 523 Cb -0.04 1.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 2qmc h VAL 523 CO -0.06 0.44 0.38 0.11 0.02 0.00 0.00 177.57 178.46 2qmc h LYS 524 N 0.05 0.73 -0.30 1.57 1.57 -0.77 -1.00 116.57 118.42 2qmc h LYS 524 Ca 0.01 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2qmc h LYS 524 Cb 0.83 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 2qmc h LYS 524 CO 0.06 0.48 0.12 -0.44 -0.57 0.00 0.00 179.45 179.10 2qmc h ASP 525 N 0.75 0.15 -0.29 0.86 3.32 -0.51 0.55 116.42 121.25 2qmc h ASP 525 Ca 0.24 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.19 2qmc h ASP 525 Cb -0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2qmc h ASP 525 CO -0.09 0.12 -0.24 0.78 -1.72 0.00 0.00 179.24 178.09 2qmc h ASN 526 N 0.26 0.80 -0.14 6.45 2.35 -1.12 -1.26 115.58 122.92 2qmc h ASN 526 Ca 0.13 -0.30 -0.16 0.00 -0.55 0.00 0.00 56.30 55.42 2qmc h ASN 526 Cb 0.08 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 2qmc h ASN 526 CO -0.12 1.01 -0.50 -0.07 -1.65 0.00 0.00 177.43 176.10 2qmc h LEU 527 N 0.67 0.78 -1.07 1.61 3.38 -1.00 -2.54 115.31 117.15 2qmc h LEU 527 Ca 0.09 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 2qmc h LEU 527 Cb 0.76 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 2qmc h LEU 527 CO 0.06 1.15 0.37 0.74 0.09 0.00 0.00 178.44 180.85 2qmc h THR 528 N 0.56 1.23 -0.06 0.22 2.02 -0.68 -2.10 112.91 114.09 2qmc h THR 528 Ca 0.02 -0.60 -0.05 0.00 0.77 0.00 0.00 66.41 66.56 2qmc h THR 528 Cb 1.07 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2qmc h THR 528 CO 0.10 0.26 -0.19 0.11 0.37 0.00 0.00 175.52 176.18 2qmc h LYS 529 N 1.03 0.10 0.00 6.66 1.79 -1.04 -0.19 116.57 124.92 2qmc h LYS 529 Ca 0.26 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.69 2qmc h LYS 529 Cb 0.07 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2qmc h LYS 529 CO -0.04 0.29 -0.04 0.52 -1.08 0.00 0.00 179.45 179.11 2qmc h MET 530 N 0.10 0.00 0.00 3.15 2.86 -0.97 -3.47 114.93 116.60 2qmc h MET 530 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2qmc h MET 530 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2qmc h MET 530 CO 0.03 0.04 0.00 0.41 1.06 0.00 0.00 176.91 178.44 2qmc n GLY 531 N -0.27 1.09 3.77 8.32 0.00 -0.08 -5.12 105.19 112.90 2qmc n GLY 531 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2qmc n GLY 531 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qmc s TYR 532 N -2.00 3.09 -0.45 1.61 2.02 -0.99 -5.00 117.35 115.63 2qmc s TYR 532 Ca 0.00 1.53 -0.15 0.00 -0.37 0.00 0.00 57.07 58.08 2qmc s TYR 532 Cb 0.00 -3.47 0.05 0.00 -0.40 0.00 0.00 41.96 38.14 2qmc s TYR 532 CO 0.00 -1.43 0.36 -1.14 -1.57 0.00 0.00 175.55 171.76 2qmc s GLN 533 N -2.09 2.96 -0.03 -0.62 2.00 -1.26 -4.41 119.66 116.21 2qmc s GLN 533 Ca 0.54 -1.24 -0.20 0.00 -2.00 0.00 0.00 55.36 52.46 2qmc s GLN 533 Cb -0.34 -4.06 -0.05 0.00 0.80 0.00 0.00 33.01 29.36 2qmc s GLN 533 CO 0.43 -0.93 0.59 0.42 -0.50 0.00 0.00 175.29 175.30 2qmc s ILE 534 N 1.64 4.97 -0.03 -2.34 1.01 -1.26 -0.73 121.20 124.46 2qmc s ILE 534 Ca 0.04 1.22 0.02 0.00 0.00 0.00 0.00 60.65 61.93 2qmc s ILE 534 Cb -0.22 -3.92 0.01 0.00 0.01 0.00 0.00 42.46 38.33 2qmc s ILE 534 CO 0.08 0.39 -0.09 0.54 0.00 0.00 0.00 174.94 175.86 2qmc s VAL 535 N 0.04 0.78 -0.22 2.92 0.11 -0.51 -4.93 120.40 118.59 2qmc s VAL 535 Ca 0.31 -0.34 -0.16 0.00 -2.93 0.00 0.00 61.98 58.86 2qmc s VAL 535 Cb -0.18 -0.71 -0.04 0.00 -1.53 0.00 0.00 36.38 33.93 2qmc s VAL 535 CO 0.16 0.25 0.40 -0.89 -3.33 0.00 0.00 175.10 171.70 2qmc s THR 536 N 0.34 5.19 0.32 5.04 2.01 -1.26 -0.95 115.64 126.33 2qmc s THR 536 Ca -0.05 0.70 0.03 0.00 0.31 0.00 0.00 61.69 62.67 2qmc s THR 536 Cb -0.10 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 2qmc s THR 536 CO 0.01 0.23 0.11 -0.54 -0.69 0.00 0.00 174.62 173.73 2qmc s LYS 537 N 1.49 1.64 0.87 4.92 1.02 -0.70 -4.96 119.74 124.03 2qmc s LYS 537 Ca 0.19 -1.94 -0.13 0.00 0.02 0.00 0.00 55.97 54.11 2qmc s LYS 537 Cb -0.15 -0.47 0.06 0.00 -0.52 0.00 0.00 37.83 36.75 2qmc s LYS 537 CO 0.08 -0.35 0.77 -2.30 -0.92 0.00 0.00 175.35 172.63 2qmc n PRO 538 N -0.66 -0.10 -1.71 -1.68 -0.02 -1.26 -4.36 135.00 125.21 2qmc n PRO 538 Ca -0.02 0.03 -0.39 0.00 -2.02 0.00 0.00 63.50 61.11 2qmc n PRO 538 Cb 0.66 -2.10 0.04 0.00 -0.02 0.00 0.00 33.50 32.08 2qmc n PRO 538 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2qmc n VAL 539 N -3.43 3.72 -3.80 -1.45 0.24 -1.26 -4.91 118.33 107.44 2qmc n VAL 539 Ca 0.10 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.34 61.54 2qmc n VAL 539 Cb 0.52 -1.53 -0.12 0.00 -1.47 0.00 0.00 33.84 31.24 2qmc n VAL 539 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2qmc s MET 540 N -2.80 3.71 0.00 7.34 -1.94 -1.26 -5.04 119.30 119.31 2qmc s MET 540 Ca 0.72 -0.45 0.00 0.00 -1.71 0.00 0.00 55.69 54.24 2qmc s MET 540 Cb -0.43 -3.32 0.00 0.00 2.01 0.00 0.00 34.83 33.09 2qmc s MET 540 CO 0.49 -0.12 0.00 0.41 -0.01 0.00 0.00 175.02 175.79 2qmc n GLY 541 N 4.72 -0.15 2.78 -0.03 0.00 -1.26 -4.95 105.19 106.31 2qmc n GLY 541 Ca -0.16 -1.88 -0.03 0.00 0.00 0.00 0.00 46.02 43.94 2qmc n GLY 541 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qmc s ASP 542 N -0.97 -1.30 -0.07 1.61 2.15 -1.26 -4.73 116.67 112.10 2qmc s ASP 542 Ca 0.00 -1.48 -0.24 0.00 0.43 0.00 0.00 52.55 51.26 2qmc s ASP 542 Cb 0.00 1.70 -0.03 0.00 -0.30 0.00 0.00 42.92 44.29 2qmc s ASP 542 CO 0.00 -0.05 0.75 -0.69 -0.17 0.00 0.00 175.17 175.01 2qmc s VAL 543 N 0.97 5.00 -0.25 1.11 1.01 -1.26 -4.26 120.40 122.72 2qmc s VAL 543 Ca 0.28 1.55 -0.00 0.00 0.00 0.00 0.00 61.98 63.80 2qmc s VAL 543 Cb 0.01 -4.09 0.04 0.00 0.00 0.00 0.00 36.38 32.34 2qmc s VAL 543 CO -0.06 0.21 -0.08 0.20 0.00 0.00 0.00 175.10 175.37 2qmc s ASN 544 N 0.88 4.26 0.09 3.32 0.01 -1.24 -2.60 114.94 119.66 2qmc s ASN 544 Ca 0.39 -1.03 0.04 0.00 -0.71 0.00 0.00 52.86 51.55 2qmc s ASN 544 Cb -0.18 -1.62 -0.03 0.00 0.41 0.00 0.00 41.25 39.83 2qmc s ASN 544 CO 0.19 -0.14 -0.10 0.00 -1.51 0.00 0.00 177.10 175.53 2qmc s ALA 545 N 1.25 1.03 -0.03 0.60 0.00 -0.50 -4.16 121.76 119.96 2qmc s ALA 545 Ca -0.02 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 50.88 2qmc s ALA 545 Cb -0.17 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 2qmc s ALA 545 CO -0.05 -0.02 -0.19 0.42 0.00 0.00 0.00 175.76 175.93 2qmc s ILE 546 N -2.17 1.51 -0.13 0.00 1.01 -0.22 -1.26 121.20 119.94 2qmc s ILE 546 Ca 0.02 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 59.91 2qmc s ILE 546 Cb -0.05 -1.28 0.01 0.00 0.01 0.00 0.00 42.46 41.15 2qmc s ILE 546 CO 0.00 0.43 -0.21 -1.58 0.00 0.00 0.00 174.94 173.58 2qmc s GLN 547 N -0.19 3.06 -0.16 2.79 0.74 0.64 -1.20 119.66 125.34 2qmc s GLN 547 Ca 0.01 -0.84 -0.03 0.00 0.05 0.00 0.00 55.36 54.55 2qmc s GLN 547 Cb -0.10 -2.43 -0.02 0.00 1.10 0.00 0.00 33.01 31.56 2qmc s GLN 547 CO 0.01 0.04 -0.06 0.08 -0.55 0.00 0.00 175.29 174.81 2qmc s VAL 548 N 0.69 3.59 0.00 1.34 1.01 0.10 -0.05 120.40 127.07 2qmc s VAL 548 Ca -0.10 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.48 2qmc s VAL 548 Cb -0.16 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 2qmc s VAL 548 CO 0.01 0.48 -0.18 -0.76 0.00 0.00 0.00 175.10 174.65 2qmc s LEU 549 N 0.59 2.07 0.23 3.92 1.43 -0.58 -4.52 118.68 121.81 2qmc s LEU 549 Ca -0.04 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.38 2qmc s LEU 549 Cb -0.15 -0.93 -0.09 0.00 0.03 0.00 0.00 46.19 45.06 2qmc s LEU 549 CO 0.03 0.20 1.26 -2.84 0.23 0.00 0.00 176.35 175.23 2qmc s PRO 550 N -0.63 4.43 0.28 1.29 0.02 -1.26 -1.03 135.00 138.09 2qmc s PRO 550 Ca 0.07 2.02 0.09 0.00 0.02 0.00 0.00 61.00 63.20 2qmc s PRO 550 Cb -0.07 -3.18 -0.04 0.00 0.02 0.00 0.00 34.50 31.22 2qmc s PRO 550 CO -0.00 -0.16 0.05 0.15 -0.33 0.00 0.00 177.00 176.71 2qmc s LYS 551 N -0.57 2.39 0.55 5.54 1.02 0.67 -4.84 119.74 124.50 2qmc s LYS 551 Ca 0.53 -1.39 0.39 0.00 0.02 0.00 0.00 55.97 55.52 2qmc s LYS 551 Cb -0.36 -2.21 1.58 0.00 -0.52 0.00 0.00 37.83 36.32 2qmc s LYS 551 CO 0.41 0.33 1.74 1.79 -0.92 0.00 0.00 175.35 178.69 2qmc h THR 552 N 1.78 0.30 -2.98 2.17 1.35 -2.01 -3.24 112.91 110.28 2qmc h THR 552 Ca -0.45 0.00 -0.32 0.00 -0.55 0.00 0.00 66.41 65.09 2qmc h THR 552 Cb 1.25 0.31 -0.37 0.00 -1.73 0.00 0.00 68.15 67.61 2qmc h THR 552 CO 0.61 0.00 -0.65 -1.59 -0.25 0.00 0.00 175.52 173.63 2qmc s LYS 553 N -4.90 0.06 0.82 4.72 0.00 -1.26 -5.13 119.74 114.05 2qmc s LYS 553 Ca -0.05 0.40 0.00 0.00 0.00 0.00 0.00 55.97 56.32 2qmc s LYS 553 Cb 0.23 -0.68 0.00 0.00 0.00 0.00 0.00 37.83 37.38 2qmc s LYS 553 CO 0.81 -0.43 0.00 0.41 0.00 0.00 0.00 175.35 176.14 2qmc n GLY 554 N 5.32 -2.02 3.52 0.59 0.00 -1.22 -4.98 105.19 106.39 2qmc n GLY 554 Ca -0.05 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.13 2qmc n GLY 554 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qmc s SER 555 N -4.00 4.04 -0.21 1.61 0.01 -1.26 -0.23 113.70 113.66 2qmc s SER 555 Ca 0.00 -0.52 -0.05 0.00 1.31 0.00 0.00 55.95 56.70 2qmc s SER 555 Cb 0.00 -0.63 -0.02 0.00 0.21 0.00 0.00 66.02 65.58 2qmc s SER 555 CO 0.00 0.17 -0.00 -0.69 0.41 0.00 0.00 173.24 173.13 2qmc s VAL 556 N -1.19 3.87 -0.26 3.43 1.01 -0.20 -4.86 120.40 122.20 2qmc s VAL 556 Ca 0.19 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.72 2qmc s VAL 556 Cb -0.11 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.47 2qmc s VAL 556 CO 0.11 0.42 0.23 -0.36 0.00 0.00 0.00 175.10 175.51 2qmc s PHE 557 N 1.12 3.27 -0.04 5.22 0.40 -1.26 -1.53 117.98 125.15 2qmc s PHE 557 Ca 0.02 0.25 0.02 0.00 -0.60 0.00 0.00 56.93 56.62 2qmc s PHE 557 Cb -0.14 -2.39 -0.03 0.00 0.51 0.00 0.00 43.02 40.96 2qmc s PHE 557 CO 0.01 -0.09 -0.07 0.71 0.70 0.00 0.00 175.22 176.48 2qmc s TYR 558 N 1.55 2.91 0.08 0.36 2.02 0.92 -4.98 117.35 120.21 2qmc s TYR 558 Ca 0.10 -0.01 0.05 0.00 -0.37 0.00 0.00 57.07 56.84 2qmc s TYR 558 Cb -0.15 -1.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.71 2qmc s TYR 558 CO 0.08 0.34 -0.14 0.20 -1.57 0.00 0.00 175.55 174.46 2qmc s GLY 559 N -0.99 0.90 -0.01 0.71 0.00 -1.26 -0.26 107.32 106.40 2qmc s GLY 559 Ca 0.14 -1.04 -0.00 0.00 0.00 0.00 0.00 44.72 43.81 2qmc s GLY 559 CO 0.03 -1.08 0.02 -0.45 0.00 0.00 0.00 173.10 171.63 2qmc s SER 560 N -1.84 0.01 0.55 1.64 0.15 -0.38 -4.84 113.70 108.99 2qmc s SER 560 Ca -0.00 0.04 0.01 0.00 0.70 0.00 0.00 55.95 56.69 2qmc s SER 560 Cb -0.09 -0.00 0.08 0.00 -1.71 0.00 0.00 66.02 64.30 2qmc s SER 560 CO 0.02 -0.05 0.59 0.35 1.20 0.00 0.00 173.24 175.35 2qmc n THR 561 N 3.51 0.00 -4.10 6.45 -2.24 -1.26 -1.40 114.28 115.23 2qmc n THR 561 Ca -0.18 -1.00 -0.35 0.00 -2.27 0.00 0.00 64.05 60.25 2qmc n THR 561 Cb 0.56 -1.01 -0.12 0.00 -2.10 0.00 0.00 70.33 67.66 2qmc n THR 561 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qmc s ASP 562 N -3.42 4.94 0.48 3.42 -1.08 -1.07 -4.90 116.67 115.05 2qmc s ASP 562 Ca 0.40 -0.15 0.33 0.00 -0.52 0.00 0.00 52.55 52.60 2qmc s ASP 562 Cb -0.02 -1.84 1.71 0.00 -1.46 0.00 0.00 42.92 41.30 2qmc s ASP 562 CO 0.26 0.09 2.00 -0.65 0.52 0.00 0.00 175.17 177.39 2qmc h PRO 563 N 7.30 0.00 -0.02 4.34 0.11 -1.91 -1.71 132.00 140.10 2qmc h PRO 563 Ca -0.35 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.66 2qmc h PRO 563 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2qmc h PRO 563 CO 0.62 0.00 -0.43 0.00 -0.21 0.00 0.00 178.00 177.98 2qmc h ARG 564 N 0.00 0.05 0.00 1.05 3.08 -1.93 -3.54 114.38 113.09 2qmc h ARG 564 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2qmc h ARG 564 Cb 0.08 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2qmc h ARG 564 CO 0.00 0.48 0.00 1.17 -1.07 0.00 0.00 179.97 180.55