#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cbu s ILE 402 N 0.00 2.49 -0.18 1.12 1.01 -0.59 0.18 121.20 125.24 1cbu s ILE 402 Ca 0.00 -0.89 -0.08 0.00 0.00 0.00 0.00 60.65 59.68 1cbu s ILE 402 Cb 0.00 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 1cbu s ILE 402 CO 0.00 0.56 0.09 -0.22 0.00 0.00 0.00 174.94 175.37 1cbu s LEU 403 N -0.05 4.00 -0.19 2.97 2.96 0.67 -0.95 118.68 128.10 1cbu s LEU 403 Ca -0.05 0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 54.01 1cbu s LEU 403 Cb -0.14 -2.01 -0.00 0.00 0.50 0.00 0.00 46.19 44.53 1cbu s LEU 403 CO 0.04 0.20 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.47 1cbu s VAL 404 N 0.21 2.86 0.25 1.68 1.01 0.15 -0.92 120.40 125.65 1cbu s VAL 404 Ca 0.06 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.45 1cbu s VAL 404 Cb -0.12 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 1cbu s VAL 404 CO -0.00 0.48 -0.13 0.28 0.00 0.00 0.00 175.10 175.73 1cbu s THR 405 N 1.19 1.90 0.00 3.92 -1.32 0.70 -0.04 115.64 122.00 1cbu s THR 405 Ca 0.02 -2.23 0.00 0.00 -1.21 0.00 0.00 61.69 58.27 1cbu s THR 405 Cb -0.14 -2.27 0.00 0.00 -1.51 0.00 0.00 72.50 68.58 1cbu s THR 405 CO -0.04 -0.43 0.00 0.61 -2.21 0.00 0.00 174.62 172.54 1cbu n GLY 406 N -0.52 0.24 0.00 6.08 0.00 -1.11 -1.34 105.19 108.54 1cbu n GLY 406 Ca -0.06 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1cbu n GLY 406 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cbu n GLY 407 N -0.28 -0.76 3.72 -0.02 0.00 -1.26 0.27 105.19 106.84 1cbu n GLY 407 Ca 0.00 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 1cbu n GLY 407 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cbu s ALA 408 N -3.77 3.40 -1.37 4.61 0.00 -1.26 -3.35 121.76 120.01 1cbu s ALA 408 Ca 0.00 0.87 -0.07 0.00 0.00 0.00 0.00 51.96 52.76 1cbu s ALA 408 Cb 0.00 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.70 1cbu s ALA 408 CO 0.00 -0.43 0.96 0.54 0.00 0.00 0.00 175.76 176.83 1cbu n ARG 409 N 3.80 -6.18 0.00 0.00 3.00 -1.26 -4.89 116.66 111.13 1cbu n ARG 409 Ca 0.09 0.71 0.12 0.00 -0.01 0.00 0.00 57.85 58.75 1cbu n ARG 409 Cb 0.46 -5.57 0.11 0.00 0.00 0.00 0.00 32.46 27.46 1cbu n ARG 409 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1cbu n SER 410 N -2.99 1.63 0.00 0.55 3.41 -1.21 -4.88 113.62 110.12 1cbu n SER 410 Ca -0.11 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.23 1cbu n SER 410 Cb 0.60 0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.95 1cbu n SER 410 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cbu n GLY 411 N 1.40 0.49 0.32 5.00 0.00 -1.26 0.60 105.19 111.75 1cbu n GLY 411 Ca 0.10 -0.82 0.02 0.00 0.00 0.00 0.00 46.02 45.32 1cbu n GLY 411 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1cbu h LYS 412 N 0.18 0.91 -0.07 1.61 2.10 -1.91 -2.85 116.57 116.55 1cbu h LYS 412 Ca 0.00 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 1cbu h LYS 412 Cb 0.00 -0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 31.12 1cbu h LYS 412 CO 0.00 0.60 0.00 0.77 -2.00 0.00 0.00 179.45 178.82 1cbu h SER 413 N 0.94 0.11 -0.99 7.07 0.02 -1.96 1.08 113.55 119.82 1cbu h SER 413 Ca 0.40 -0.30 0.21 0.00 -0.84 0.00 0.00 61.79 61.25 1cbu h SER 413 Cb 0.25 -0.03 -0.10 0.00 0.14 0.00 0.00 62.40 62.66 1cbu h SER 413 CO -0.20 0.38 0.62 -0.09 -1.14 0.00 0.00 176.83 176.40 1cbu h ARG 414 N -0.16 0.61 0.07 3.45 2.43 -1.96 2.51 114.38 121.33 1cbu h ARG 414 Ca 0.02 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 58.99 1cbu h ARG 414 Cb 0.32 -0.14 0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1cbu h ARG 414 CO 0.00 0.41 -0.69 1.25 -1.51 0.00 0.00 179.97 179.43 1cbu h HIS 415 N 0.63 0.56 -0.97 2.20 2.76 -1.25 -0.87 115.15 118.21 1cbu h HIS 415 Ca 0.56 -0.35 0.10 0.00 -2.20 0.00 0.00 60.37 58.48 1cbu h HIS 415 Cb 1.06 -0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.90 1cbu h HIS 415 CO -0.00 1.22 0.62 0.00 -1.30 0.00 0.00 177.93 178.47 1cbu h ALA 416 N 0.19 1.52 -0.02 5.26 0.00 0.58 0.21 119.26 127.02 1cbu h ALA 416 Ca -0.11 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1cbu h ALA 416 Cb 1.46 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1cbu h ALA 416 CO 0.13 0.28 -0.71 0.93 0.00 0.00 0.00 179.25 179.88 1cbu h GLU 417 N 1.02 0.11 -0.50 0.00 5.08 0.40 -2.67 114.58 118.02 1cbu h GLU 417 Ca 0.45 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.68 1cbu h GLU 417 Cb 0.37 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1cbu h GLU 417 CO -0.21 0.77 0.16 0.00 -1.00 0.00 0.00 179.01 178.73 1cbu h ALA 418 N 1.20 1.33 -0.72 3.43 0.00 0.69 -2.16 119.26 123.03 1cbu h ALA 418 Ca -0.02 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.85 1cbu h ALA 418 Cb 1.26 -0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.76 1cbu h ALA 418 CO 0.10 0.48 0.29 -0.07 0.00 0.00 0.00 179.25 180.06 1cbu h LEU 419 N 0.73 0.30 0.00 0.00 4.07 -0.35 -3.30 115.31 116.76 1cbu h LEU 419 Ca 0.17 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.22 1cbu h LEU 419 Cb 0.22 0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.02 1cbu h LEU 419 CO -0.01 0.14 0.00 -0.38 -1.08 0.00 0.00 178.44 177.11 1cbu n ILE 420 N -4.97 0.00 0.00 1.22 2.08 -0.82 -5.02 119.36 111.85 1cbu n ILE 420 Ca 0.12 0.67 0.00 0.00 0.56 0.00 0.00 62.75 64.11 1cbu n ILE 420 Cb 0.36 -1.34 0.00 0.00 -0.75 0.00 0.00 39.64 37.91 1cbu n ILE 420 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1cbu n GLY 421 N 0.54 1.01 2.65 7.39 0.00 -1.19 -4.69 105.19 110.90 1cbu n GLY 421 Ca 0.00 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 1cbu n GLY 421 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cbu n ASP 422 N 1.26 7.26 -3.84 1.61 5.75 -1.26 -4.81 116.55 122.51 1cbu n ASP 422 Ca 0.00 -3.69 -0.28 0.00 -0.01 0.00 0.00 54.79 50.81 1cbu n ASP 422 Cb 0.00 -1.15 -0.11 0.00 -1.03 0.00 0.00 41.12 38.83 1cbu n ASP 422 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cbu n ALA 423 N -0.07 3.53 0.00 2.12 0.00 -1.26 -4.98 120.51 119.85 1cbu n ALA 423 Ca 0.46 -4.57 0.00 0.00 0.00 0.00 0.00 53.44 49.33 1cbu n ALA 423 Cb 0.26 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1cbu n ALA 423 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1cbu n PRO 424 N 1.80 0.00 -3.69 0.00 -0.05 -1.26 -4.08 135.00 127.72 1cbu n PRO 424 Ca 0.21 0.00 -0.37 0.00 -0.05 0.00 0.00 63.50 63.29 1cbu n PRO 424 Cb 0.36 0.00 -0.11 0.00 -0.05 0.00 0.00 33.50 33.70 1cbu n PRO 424 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 175.50 174.80 1cbu s GLN 425 N -4.40 3.87 0.01 0.54 -1.52 -1.26 0.20 119.66 117.11 1cbu s GLN 425 Ca 0.00 -0.37 -0.02 0.00 -1.95 0.00 0.00 55.36 53.03 1cbu s GLN 425 Cb 0.00 -3.50 -0.01 0.00 -0.22 0.00 0.00 33.01 29.28 1cbu s GLN 425 CO 0.00 -0.11 0.01 0.54 -0.25 0.00 0.00 175.29 175.48 1cbu s VAL 426 N 1.50 0.09 -0.20 1.09 0.11 -1.03 -3.56 120.40 118.39 1cbu s VAL 426 Ca 0.06 -0.70 -0.02 0.00 -2.93 0.00 0.00 61.98 58.39 1cbu s VAL 426 Cb -0.15 -0.25 -0.00 0.00 -1.53 0.00 0.00 36.38 34.44 1cbu s VAL 426 CO 0.07 -0.39 -0.10 -0.22 -3.33 0.00 0.00 175.10 171.13 1cbu s LEU 427 N -1.18 2.65 -0.33 2.54 0.20 -0.63 0.14 118.68 122.08 1cbu s LEU 427 Ca -0.13 -0.45 -0.11 0.00 0.69 0.00 0.00 54.13 54.13 1cbu s LEU 427 Cb -0.08 -1.65 -0.00 0.00 -0.43 0.00 0.00 46.19 44.03 1cbu s LEU 427 CO -0.00 0.01 0.19 -0.47 -0.29 0.00 0.00 176.35 175.79 1cbu s TYR 428 N 1.26 3.20 -0.40 5.38 5.04 0.52 -0.63 117.35 131.72 1cbu s TYR 428 Ca 0.03 -0.53 -0.14 0.00 -2.44 0.00 0.00 57.07 53.99 1cbu s TYR 428 Cb -0.14 -2.40 0.02 0.00 0.35 0.00 0.00 41.96 39.79 1cbu s TYR 428 CO -0.05 -0.46 0.27 0.42 -1.34 0.00 0.00 175.55 174.40 1cbu s ILE 429 N 1.64 5.05 -0.25 3.14 1.01 0.11 -1.84 121.20 130.05 1cbu s ILE 429 Ca 0.05 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 59.90 1cbu s ILE 429 Cb -0.17 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 1cbu s ILE 429 CO 0.07 -0.29 0.06 0.00 0.00 0.00 0.00 174.94 174.79 1cbu s ALA 430 N 1.64 3.14 -0.92 9.38 0.00 -0.67 -1.75 121.76 132.57 1cbu s ALA 430 Ca 0.04 -1.15 0.14 0.00 0.00 0.00 0.00 51.96 50.99 1cbu s ALA 430 Cb -0.19 -2.06 0.59 0.00 0.00 0.00 0.00 23.12 21.46 1cbu s ALA 430 CO 0.09 -0.51 1.44 0.25 0.00 0.00 0.00 175.76 177.03 1cbu n THR 431 N 4.92 1.12 -3.99 0.00 -2.24 -0.41 -0.88 114.28 112.78 1cbu n THR 431 Ca -0.16 0.29 -0.09 0.00 -2.27 0.00 0.00 64.05 61.82 1cbu n THR 431 Cb 0.51 -1.10 -0.11 0.00 -2.10 0.00 0.00 70.33 67.53 1cbu n THR 431 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1cbu s SER 432 N -3.17 0.27 0.10 3.42 1.04 -1.26 -4.78 113.70 109.31 1cbu s SER 432 Ca 0.06 -0.59 -0.23 0.00 0.48 0.00 0.00 55.95 55.67 1cbu s SER 432 Cb 0.08 0.13 -0.13 0.00 0.10 0.00 0.00 66.02 66.20 1cbu s SER 432 CO 0.24 -0.37 1.73 -0.61 0.98 0.00 0.00 173.24 175.21 1cbu h GLN 433 N 4.28 -0.05 -1.54 4.02 5.75 -1.99 -0.87 115.11 124.72 1cbu h GLN 433 Ca -0.32 0.00 0.50 0.00 -0.15 0.00 0.00 58.65 58.68 1cbu h GLN 433 Cb 1.19 0.01 -0.13 0.00 1.07 0.00 0.00 27.48 29.63 1cbu h GLN 433 CO 0.46 -0.03 1.02 0.82 -2.65 0.00 0.00 178.83 178.46 1cbu h ILE 434 N -0.05 0.00 0.10 2.39 5.03 -1.97 0.69 117.51 123.71 1cbu h ILE 434 Ca 0.01 -0.00 -0.33 0.00 -0.12 0.00 0.00 64.86 64.42 1cbu h ILE 434 Cb 0.06 0.00 -0.02 0.00 -3.03 0.00 0.00 36.82 33.83 1cbu h ILE 434 CO -0.03 0.00 -1.76 -0.07 -0.68 0.00 0.00 178.15 175.61 1cbu h LEU 435 N 0.00 0.32 -2.02 1.44 3.38 -1.58 -3.25 115.31 113.60 1cbu h LEU 435 Ca 0.90 -0.60 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 1cbu h LEU 435 Cb 3.09 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 43.73 1cbu h LEU 435 CO -0.36 1.52 -0.09 -0.78 0.09 0.00 0.00 178.44 178.82 1cbu h ASP 436 N 0.06 0.00 0.13 -0.43 3.58 0.15 -3.08 116.42 116.83 1cbu h ASP 436 Ca -0.33 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 56.94 1cbu h ASP 436 Cb 2.03 0.00 0.02 0.00 1.72 0.00 0.00 39.33 43.10 1cbu h ASP 436 CO 0.12 0.09 -0.84 0.44 -2.88 0.00 0.00 179.24 176.17 1cbu h ASP 437 N 0.00 0.44 -0.81 2.28 5.19 -1.18 -3.04 116.42 119.30 1cbu h ASP 437 Ca -0.00 -0.95 0.01 0.00 -0.62 0.00 0.00 57.03 55.47 1cbu h ASP 437 Cb 0.29 -0.14 -0.04 0.00 0.18 0.00 0.00 39.33 39.62 1cbu h ASP 437 CO 0.01 1.40 0.54 -0.33 -3.12 0.00 0.00 179.24 177.74 1cbu h GLU 438 N -0.39 1.06 0.62 3.56 5.08 -1.57 -2.47 114.58 120.47 1cbu h GLU 438 Ca -0.15 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1cbu h GLU 438 Cb 1.63 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 30.65 1cbu h GLU 438 CO 0.14 0.70 -0.30 1.98 -1.00 0.00 0.00 179.01 180.53 1cbu h MET 439 N 1.09 -0.81 0.00 2.33 4.05 -1.67 -2.78 114.93 117.15 1cbu h MET 439 Ca 0.30 0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.78 1cbu h MET 439 Cb -0.10 0.18 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 1cbu h MET 439 CO -0.07 -0.54 0.00 0.00 0.23 0.00 0.00 176.91 176.53 1cbu n ALA 440 N -2.67 1.46 -0.01 0.39 0.00 -1.15 -0.62 120.51 117.91 1cbu n ALA 440 Ca -0.10 -0.01 -0.22 0.00 0.00 0.00 0.00 53.44 53.11 1cbu n ALA 440 Cb 0.33 -1.02 -0.14 0.00 0.00 0.00 0.00 19.45 18.63 1cbu n ALA 440 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cbu n ALA 441 N -1.07 0.85 0.15 0.00 0.00 -0.93 -4.15 120.51 115.36 1cbu n ALA 441 Ca 0.01 -0.56 0.05 0.00 0.00 0.00 0.00 53.44 52.94 1cbu n ALA 441 Cb 0.00 -0.67 0.05 0.00 0.00 0.00 0.00 19.45 18.83 1cbu n ALA 441 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1cbu h ARG 442 N -0.11 0.00 -0.47 0.00 0.11 -0.59 -3.28 114.38 110.03 1cbu h ARG 442 Ca -0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.67 1cbu h ARG 442 Cb 1.91 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.99 1cbu h ARG 442 CO 0.04 0.33 0.00 -0.89 0.10 0.00 0.00 179.97 179.55 1cbu n ILE 443 N -3.14 0.19 -0.02 0.08 5.41 -0.46 0.17 119.36 121.60 1cbu n ILE 443 Ca 0.01 -0.12 -0.01 0.00 1.00 0.00 0.00 62.75 63.63 1cbu n ILE 443 Cb 0.68 -0.19 -0.04 0.00 -0.71 0.00 0.00 39.64 39.39 1cbu n ILE 443 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1cbu n GLN 444 N -0.12 2.37 -0.10 0.38 6.02 -1.24 -4.68 117.38 120.02 1cbu n GLN 444 Ca 0.03 -0.01 -0.13 0.00 -0.01 0.00 0.00 57.00 56.87 1cbu n GLN 444 Cb 0.19 -1.11 -0.11 0.00 1.02 0.00 0.00 30.24 30.23 1cbu n GLN 444 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1cbu n HIS 445 N -2.02 0.00 0.55 1.08 8.25 -1.11 -4.91 115.22 117.06 1cbu n HIS 445 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1cbu n HIS 445 Cb 0.50 -0.81 0.03 0.00 1.12 0.00 0.00 29.99 30.82 1cbu n HIS 445 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1cbu n HIS 446 N -2.99 0.00 0.00 4.41 -0.00 0.45 -4.27 115.22 112.83 1cbu n HIS 446 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.37 1cbu n HIS 446 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.93 1cbu n HIS 446 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1cbu n ASP 448 N -0.55 0.00 0.25 0.41 -0.08 -1.26 -4.18 116.55 111.13 1cbu n ASP 448 Ca 0.01 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 53.13 1cbu n ASP 448 Cb 0.00 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.38 1cbu n ASP 448 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1cbu h GLY 449 N 0.00 -0.65 -4.27 0.27 0.00 -1.98 -3.43 103.07 93.00 1cbu h GLY 449 Ca 0.00 0.27 -0.58 0.00 0.00 0.00 0.00 47.33 47.02 1cbu h GLY 449 CO 0.00 -0.25 -0.51 1.09 0.00 0.00 0.00 176.54 176.87 1cbu s ARG 450 N -6.08 3.25 -0.02 4.80 3.03 -1.26 -4.99 118.95 117.68 1cbu s ARG 450 Ca -0.16 -0.63 0.01 0.00 2.03 0.00 0.00 55.73 56.98 1cbu s ARG 450 Cb 0.05 -2.88 0.06 0.00 -1.03 0.00 0.00 34.95 31.15 1cbu s ARG 450 CO 0.63 0.54 0.61 -0.35 -1.13 0.00 0.00 175.30 175.61 1cbu n PRO 451 N -0.18 1.30 -3.19 3.89 -0.04 -1.26 -4.86 135.00 130.65 1cbu n PRO 451 Ca -0.07 -0.25 -0.39 0.00 -0.04 0.00 0.00 63.50 62.75 1cbu n PRO 451 Cb 0.53 -1.54 -0.06 0.00 -0.04 0.00 0.00 33.50 32.39 1cbu n PRO 451 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1cbu s ALA 452 N -1.17 3.53 -1.14 0.55 0.00 -1.26 -4.74 121.76 117.53 1cbu s ALA 452 Ca 0.04 -0.32 -0.12 0.00 0.00 0.00 0.00 51.96 51.56 1cbu s ALA 452 Cb 0.03 -2.87 0.21 0.00 0.00 0.00 0.00 23.12 20.49 1cbu s ALA 452 CO 0.01 -0.45 1.27 -1.58 0.00 0.00 0.00 175.76 175.01 1cbu s HIS 453 N 1.66 3.77 0.20 0.00 2.46 0.55 -4.87 115.29 119.06 1cbu s HIS 453 Ca 0.26 -2.29 -0.24 0.00 0.47 0.00 0.00 55.06 53.27 1cbu s HIS 453 Cb -0.16 -4.12 -0.08 0.00 -0.13 0.00 0.00 32.58 28.09 1cbu s HIS 453 CO 0.10 -1.23 0.78 -1.58 -2.47 0.00 0.00 174.74 170.35 1cbu s TRP 454 N 0.57 3.82 -0.01 3.88 0.52 -1.26 -2.47 118.94 123.99 1cbu s TRP 454 Ca 0.37 1.59 0.05 0.00 0.02 0.00 0.00 56.10 58.13 1cbu s TRP 454 Cb -0.06 -2.75 -0.01 0.00 -1.15 0.00 0.00 33.47 29.50 1cbu s TRP 454 CO -0.04 0.44 -0.15 1.03 0.02 0.00 0.00 176.95 178.24 1cbu s ARG 455 N -1.46 1.25 0.32 4.98 0.52 0.37 -4.91 118.95 120.03 1cbu s ARG 455 Ca 0.39 -0.55 0.09 0.00 -0.52 0.00 0.00 55.73 55.14 1cbu s ARG 455 Cb -0.21 -1.21 -0.04 0.00 0.52 0.00 0.00 34.95 34.00 1cbu s ARG 455 CO 0.25 0.33 0.09 0.95 0.02 0.00 0.00 175.30 176.93 1cbu s THR 456 N -0.36 3.05 -0.29 0.02 -4.23 -1.26 0.19 115.64 112.77 1cbu s THR 456 Ca 0.06 -1.79 -0.15 0.00 -1.18 0.00 0.00 61.69 58.62 1cbu s THR 456 Cb -0.06 -2.92 0.13 0.00 1.34 0.00 0.00 72.50 70.99 1cbu s THR 456 CO -0.01 -0.23 0.86 0.00 -0.54 0.00 0.00 174.62 174.70 1cbu s ALA 457 N -2.42 -2.20 -0.40 3.99 0.00 -0.77 -4.89 121.76 115.07 1cbu s ALA 457 Ca 0.36 2.26 -0.25 0.00 0.00 0.00 0.00 51.96 54.33 1cbu s ALA 457 Cb -0.03 -1.69 0.02 0.00 0.00 0.00 0.00 23.12 21.42 1cbu s ALA 457 CO 0.21 -0.51 0.88 -2.00 0.00 0.00 0.00 175.76 174.35 1cbu s GLU 458 N 1.76 3.69 -0.29 0.00 -6.30 -1.26 -1.67 118.70 114.63 1cbu s GLU 458 Ca -0.08 0.33 -0.22 0.00 -2.50 0.00 0.00 54.97 52.50 1cbu s GLU 458 Cb -0.05 -3.86 0.14 0.00 0.00 0.00 0.00 34.13 30.36 1cbu s GLU 458 CO -0.17 -1.03 1.06 0.00 0.02 0.00 0.00 175.26 175.13 1cbu n TRP 460 N 2.63 1.29 -3.50 0.00 4.27 -1.26 -4.28 117.44 116.59 1cbu n TRP 460 Ca -0.14 -2.78 0.01 0.00 -3.89 0.00 0.00 57.50 50.69 1cbu n TRP 460 Cb 0.56 -0.36 -0.05 0.00 -1.36 0.00 0.00 31.31 30.11 1cbu n TRP 460 CO 0.00 0.00 0.00 1.03 -2.29 0.00 0.00 177.69 176.43 1cbu s ARG 461 N -3.17 0.24 -0.83 -2.67 0.52 -1.26 -4.91 118.95 106.87 1cbu s ARG 461 Ca 0.28 0.51 -0.05 0.00 -0.52 0.00 0.00 55.73 55.95 1cbu s ARG 461 Cb 0.45 0.19 0.01 0.00 0.52 0.00 0.00 34.95 36.12 1cbu s ARG 461 CO 0.02 -0.07 0.73 0.72 0.02 0.00 0.00 175.30 176.72 1cbu n HIS 462 N 4.17 -1.75 -0.34 -0.53 8.25 -1.26 -4.88 115.22 118.87 1cbu n HIS 462 Ca -0.13 0.63 0.31 0.00 -0.26 0.00 0.00 57.72 58.26 1cbu n HIS 462 Cb 0.55 -3.53 0.65 0.00 1.12 0.00 0.00 29.99 28.78 1cbu n HIS 462 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1cbu h LEU 463 N -1.64 0.19 -1.37 2.41 4.07 -1.93 -1.47 115.31 115.56 1cbu h LEU 463 Ca -0.35 0.04 0.08 0.00 0.08 0.00 0.00 57.88 57.73 1cbu h LEU 463 Cb 1.23 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.97 1cbu h LEU 463 CO 0.34 0.02 0.67 -2.24 -1.08 0.00 0.00 178.44 176.15 1cbu h ASP 464 N 0.16 0.00 -0.32 -0.43 3.04 -1.84 0.44 116.42 117.46 1cbu h ASP 464 Ca 0.61 0.00 -0.13 0.00 -3.24 0.00 0.00 57.03 54.27 1cbu h ASP 464 Cb 2.04 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 40.32 1cbu h ASP 464 CO -0.15 0.00 -0.27 0.74 -2.04 0.00 0.00 179.24 177.51 1cbu h THR 465 N 0.00 1.27 0.00 1.15 2.02 -1.63 -3.36 112.91 112.36 1cbu h THR 465 Ca 0.14 -1.42 -0.28 0.00 0.77 0.00 0.00 66.41 65.62 1cbu h THR 465 Cb 1.48 1.26 -0.04 0.00 -1.74 0.00 0.00 68.15 69.11 1cbu h THR 465 CO -0.00 0.47 -1.81 0.18 0.37 0.00 0.00 175.52 174.73 1cbu n LEU 466 N -4.09 1.93 -3.19 2.58 4.32 0.01 -4.60 117.00 113.95 1cbu n LEU 466 Ca -0.01 0.37 -0.19 0.00 -0.02 0.00 0.00 56.01 56.17 1cbu n LEU 466 Cb 0.47 -0.83 -0.02 0.00 -1.62 0.00 0.00 43.42 41.42 1cbu n LEU 466 CO 0.46 0.24 1.79 -0.38 -1.22 0.00 0.00 177.39 178.28 1cbu n ILE 467 N -4.36 1.33 -2.24 -0.08 5.41 -0.39 -4.82 119.36 114.21 1cbu n ILE 467 Ca -0.38 -0.85 -0.26 0.00 1.00 0.00 0.00 62.75 62.26 1cbu n ILE 467 Cb 0.72 -1.92 0.13 0.00 -0.71 0.00 0.00 39.64 37.85 1cbu n ILE 467 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1cbu s THR 468 N 4.42 2.12 -1.51 1.39 -4.23 -1.26 -4.57 115.64 111.99 1cbu s THR 468 Ca 0.30 -0.29 0.20 0.00 -1.18 0.00 0.00 61.69 60.72 1cbu s THR 468 Cb 0.07 -2.83 -0.09 0.00 1.34 0.00 0.00 72.50 70.99 1cbu s THR 468 CO 0.02 0.00 0.95 0.00 -0.54 0.00 0.00 174.62 175.06 1cbu n ALA 469 N -3.21 3.92 1.91 3.99 0.00 -1.26 -4.14 120.51 121.73 1cbu n ALA 469 Ca 0.13 -0.60 0.02 0.00 0.00 0.00 0.00 53.44 53.00 1cbu n ALA 469 Cb 0.60 -0.73 0.11 0.00 0.00 0.00 0.00 19.45 19.43 1cbu n ALA 469 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1cbu n ASP 470 N -0.62 0.00 -4.82 0.00 9.92 -1.26 -4.59 116.55 115.19 1cbu n ASP 470 Ca 0.07 -1.80 -0.34 0.00 -0.53 0.00 0.00 54.79 52.19 1cbu n ASP 470 Cb 0.39 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.80 1cbu n ASP 470 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1cbu s LEU 471 N -1.12 4.05 0.42 0.64 1.43 -1.26 -5.09 118.68 117.75 1cbu s LEU 471 Ca 0.05 0.24 -0.24 0.00 -1.03 0.00 0.00 54.13 53.15 1cbu s LEU 471 Cb 0.02 -2.28 -0.08 0.00 0.03 0.00 0.00 46.19 43.89 1cbu s LEU 471 CO 0.04 0.30 1.15 0.00 0.23 0.00 0.00 176.35 178.07 1cbu s ALA 472 N -1.17 3.07 -2.00 4.21 0.00 -1.26 -4.29 121.76 120.32 1cbu s ALA 472 Ca 0.22 0.91 0.07 0.00 0.00 0.00 0.00 51.96 53.15 1cbu s ALA 472 Cb -0.12 -3.36 0.42 0.00 0.00 0.00 0.00 23.12 20.06 1cbu s ALA 472 CO 0.12 -0.52 0.87 -2.30 0.00 0.00 0.00 175.76 173.93 1cbu n PRO 473 N -0.16 0.48 0.01 0.00 -0.02 -1.26 -0.50 135.00 133.54 1cbu n PRO 473 Ca 0.06 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.64 1cbu n PRO 473 Cb 0.48 -1.23 -0.13 0.00 -0.02 0.00 0.00 33.50 32.59 1cbu n PRO 473 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1cbu n ASP 474 N -0.73 0.26 -4.83 2.55 9.92 -1.26 -4.68 116.55 117.78 1cbu n ASP 474 Ca 0.05 -0.11 -0.33 0.00 -0.53 0.00 0.00 54.79 53.87 1cbu n ASP 474 Cb 0.02 1.62 -0.06 0.00 -0.64 0.00 0.00 41.12 42.06 1cbu n ASP 474 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1cbu s ASP 475 N -4.36 6.88 0.19 -2.24 1.01 0.35 -4.78 116.67 113.71 1cbu s ASP 475 Ca -0.04 1.40 0.08 0.00 0.71 0.00 0.00 52.55 54.70 1cbu s ASP 475 Cb 0.14 -2.42 -0.04 0.00 1.01 0.00 0.00 42.92 41.61 1cbu s ASP 475 CO 0.88 -0.18 -0.16 0.00 0.21 0.00 0.00 175.17 175.92 1cbu s ALA 476 N -1.92 2.03 -0.03 5.23 0.00 -1.23 -0.86 121.76 124.98 1cbu s ALA 476 Ca 0.53 -1.58 0.03 0.00 0.00 0.00 0.00 51.96 50.95 1cbu s ALA 476 Cb -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1cbu s ALA 476 CO 0.18 0.16 -0.13 0.42 0.00 0.00 0.00 175.76 176.39 1cbu s ILE 477 N -2.48 1.06 -0.27 0.00 1.01 1.19 -1.61 121.20 120.10 1cbu s ILE 477 Ca 0.19 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.35 1cbu s ILE 477 Cb -0.03 -0.93 0.07 0.00 0.01 0.00 0.00 42.46 41.58 1cbu s ILE 477 CO 0.07 0.32 -0.07 -0.22 0.00 0.00 0.00 174.94 175.04 1cbu s LEU 478 N 0.12 3.38 -0.14 2.97 2.96 0.19 0.30 118.68 128.45 1cbu s LEU 478 Ca -0.03 -1.46 -0.03 0.00 -0.22 0.00 0.00 54.13 52.39 1cbu s LEU 478 Cb -0.10 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 1cbu s LEU 478 CO 0.01 -0.24 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.53 1cbu s LEU 479 N 1.16 3.18 -0.21 -0.68 0.20 0.69 -0.71 118.68 122.32 1cbu s LEU 479 Ca -0.05 -0.14 -0.13 0.00 0.69 0.00 0.00 54.13 54.50 1cbu s LEU 479 Cb -0.19 -1.75 0.06 0.00 -0.43 0.00 0.00 46.19 43.88 1cbu s LEU 479 CO -0.06 0.19 0.53 -0.70 -0.29 0.00 0.00 176.35 176.02 1cbu s GLU 480 N 0.21 0.54 0.06 1.98 2.12 -0.72 -0.77 118.70 122.13 1cbu s GLU 480 Ca -0.03 0.92 0.07 0.00 0.36 0.00 0.00 54.97 56.29 1cbu s GLU 480 Cb -0.14 0.10 -0.03 0.00 0.26 0.00 0.00 34.13 34.32 1cbu s GLU 480 CO 0.03 -0.14 -0.18 0.00 -0.54 0.00 0.00 175.26 174.43 1cbu h ILE 482 N 4.31 0.90 -0.80 0.00 1.08 -1.66 -2.98 117.51 118.36 1cbu h ILE 482 Ca -0.42 -0.20 -0.04 0.00 -0.39 0.00 0.00 64.86 63.81 1cbu h ILE 482 Cb 1.18 0.27 -0.04 0.00 -3.07 0.00 0.00 36.82 35.16 1cbu h ILE 482 CO 0.42 0.11 0.35 0.71 -0.69 0.00 0.00 178.15 179.05 1cbu h THR 483 N 0.58 1.26 0.00 -0.27 1.35 -1.94 -1.63 112.91 112.25 1cbu h THR 483 Ca 0.30 -0.76 -0.05 0.00 -0.55 0.00 0.00 66.41 65.35 1cbu h THR 483 Cb 0.25 0.26 -0.01 0.00 -1.73 0.00 0.00 68.15 66.93 1cbu h THR 483 CO -0.22 0.32 -0.23 0.74 -0.25 0.00 0.00 175.52 175.88 1cbu h THR 484 N 1.15 0.70 0.25 6.82 2.02 -1.92 -1.30 112.91 120.62 1cbu h THR 484 Ca 0.27 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 1cbu h THR 484 Cb 0.16 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1cbu h THR 484 CO -0.03 0.22 -0.12 -0.03 0.37 0.00 0.00 175.52 175.94 1cbu h MET 485 N 0.00 -0.32 0.17 6.66 -1.53 -1.18 -1.29 114.93 117.44 1cbu h MET 485 Ca -0.00 0.02 0.01 0.00 -3.44 0.00 0.00 59.70 56.29 1cbu h MET 485 Cb 0.60 0.07 -0.04 0.00 -0.55 0.00 0.00 31.60 31.68 1cbu h MET 485 CO 0.03 -0.08 -0.44 0.28 0.14 0.00 0.00 176.91 176.84 1cbu h VAL 486 N -0.52 0.13 -0.76 -5.77 2.07 -0.86 0.12 116.25 110.66 1cbu h VAL 486 Ca -0.03 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.63 1cbu h VAL 486 Cb 0.39 0.13 -0.10 0.00 -1.52 0.00 0.00 31.29 30.19 1cbu h VAL 486 CO 0.06 0.00 0.31 0.74 0.02 0.00 0.00 177.57 178.69 1cbu h THR 487 N -0.71 0.66 0.49 2.57 2.02 -1.25 0.43 112.91 117.11 1cbu h THR 487 Ca 0.01 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1cbu h THR 487 Cb 0.71 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1cbu h THR 487 CO -0.22 0.08 -0.25 0.78 0.37 0.00 0.00 175.52 176.28 1cbu h ASN 488 N 0.45 -0.61 -0.97 4.18 2.35 -0.53 -2.09 115.58 118.35 1cbu h ASN 488 Ca 0.42 0.03 0.17 0.00 -0.55 0.00 0.00 56.30 56.36 1cbu h ASN 488 Cb 0.64 0.17 -0.10 0.00 0.05 0.00 0.00 38.32 39.07 1cbu h ASN 488 CO -0.40 -0.42 0.57 -0.07 -1.65 0.00 0.00 177.43 175.46 1cbu h LEU 489 N -0.68 0.75 -0.03 1.61 3.38 0.60 -1.01 115.31 119.93 1cbu h LEU 489 Ca -0.06 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1cbu h LEU 489 Cb 0.54 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1cbu h LEU 489 CO 0.09 0.30 -0.25 -0.07 0.09 0.00 0.00 178.44 178.61 1cbu h LEU 490 N 0.77 -0.74 -0.46 1.67 3.38 0.35 0.24 115.31 120.53 1cbu h LEU 490 Ca 0.54 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.67 1cbu h LEU 490 Cb 0.77 0.31 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 1cbu h LEU 490 CO -0.36 -0.31 0.16 -0.26 0.09 0.00 0.00 178.44 177.76 1cbu h PHE 491 N -0.37 0.28 0.08 1.13 0.04 -0.54 0.34 116.94 117.89 1cbu h PHE 491 Ca 0.07 0.02 -0.29 0.00 2.80 0.00 0.00 57.97 60.58 1cbu h PHE 491 Cb 0.47 -0.06 0.03 0.00 2.20 0.00 0.00 35.95 38.59 1cbu h PHE 491 CO -0.30 0.10 -1.17 0.00 -0.60 0.00 0.00 178.31 176.34 1cbu h ALA 492 N 1.30 0.05 -0.47 2.45 0.00 -1.37 -2.64 119.26 118.58 1cbu h ALA 492 Ca 0.21 -0.75 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 1cbu h ALA 492 Cb 0.21 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1cbu h ALA 492 CO -0.22 0.70 0.05 -0.07 0.00 0.00 0.00 179.25 179.71 1cbu h LEU 493 N 0.32 0.76 -2.17 0.00 3.38 -0.37 -1.89 115.31 115.34 1cbu h LEU 493 Ca -0.17 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1cbu h LEU 493 Cb 1.84 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.38 1cbu h LEU 493 CO 0.23 0.85 0.00 1.23 0.09 0.00 0.00 178.44 180.84 1cbu h GLY 494 N 0.65 0.00 0.00 0.83 0.00 -0.36 -3.48 103.07 100.71 1cbu h GLY 494 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1cbu h GLY 494 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 1cbu n GLY 495 N -0.65 -0.10 1.59 4.60 0.00 -0.71 -3.43 105.19 106.49 1cbu n GLY 495 Ca -0.01 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 1cbu n GLY 495 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1cbu n GLU 496 N 0.00 1.60 -3.89 1.61 -0.00 -1.26 -4.75 120.64 113.95 1cbu n GLU 496 Ca 0.00 -1.45 -0.21 0.00 -0.00 0.00 0.00 57.16 55.50 1cbu n GLU 496 Cb 0.00 -1.57 -0.04 0.00 -0.00 0.00 0.00 31.44 29.84 1cbu n GLU 496 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1cbu s ASN 497 N -0.10 5.42 -0.04 -1.84 0.01 -1.22 -5.09 114.94 112.07 1cbu s ASN 497 Ca 0.27 -0.39 -0.30 0.00 -0.71 0.00 0.00 52.86 51.73 1cbu s ASN 497 Cb 0.23 -1.14 -0.03 0.00 0.41 0.00 0.00 41.25 40.72 1cbu s ASN 497 CO 0.05 -0.25 1.13 -0.62 -1.51 0.00 0.00 177.10 175.89 1cbu s ASP 498 N -3.96 7.14 0.42 -1.22 -1.08 -1.26 -4.88 116.67 111.84 1cbu s ASP 498 Ca 0.38 1.75 0.13 0.00 -0.52 0.00 0.00 52.55 54.30 1cbu s ASP 498 Cb -0.07 -2.56 0.73 0.00 -1.46 0.00 0.00 42.92 39.56 1cbu s ASP 498 CO 0.26 -0.49 1.31 -0.65 0.52 0.00 0.00 175.17 176.12 1cbu h PRO 499 N 7.19 0.00 0.00 4.34 0.11 -1.98 1.24 132.00 142.90 1cbu h PRO 499 Ca -0.35 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.66 1cbu h PRO 499 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1cbu h PRO 499 CO 0.85 0.00 -0.48 1.49 -0.21 0.00 0.00 178.00 179.65 1cbu h GLU 500 N 0.00 0.00 -2.29 1.05 4.57 -2.02 -3.31 114.58 112.58 1cbu h GLU 500 Ca 0.00 0.00 -0.62 0.00 -1.18 0.00 0.00 59.36 57.56 1cbu h GLU 500 Cb 0.88 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 29.07 1cbu h GLU 500 CO 0.00 0.48 -0.41 0.00 -1.18 0.00 0.00 179.01 177.90 1cbu n GLN 501 N -3.61 3.27 -4.40 1.92 10.64 0.43 -5.04 117.38 120.58 1cbu n GLN 501 Ca -0.00 -4.77 -0.27 0.00 -1.83 0.00 0.00 57.00 50.12 1cbu n GLN 501 Cb 0.57 -2.28 -0.12 0.00 -0.86 0.00 0.00 30.24 27.55 1cbu n GLN 501 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 1cbu s TRP 502 N -3.19 2.24 -1.16 2.61 0.52 -1.25 -4.70 118.94 114.02 1cbu s TRP 502 Ca 0.44 -0.37 -0.09 0.00 0.02 0.00 0.00 56.10 56.10 1cbu s TRP 502 Cb 0.22 -1.14 0.25 0.00 -1.15 0.00 0.00 33.47 31.64 1cbu s TRP 502 CO -0.08 0.44 1.38 -3.47 0.02 0.00 0.00 176.95 175.24 1cbu n ASP 503 N 0.43 5.61 0.28 2.95 -0.08 -1.26 -4.88 116.55 119.60 1cbu n ASP 503 Ca -0.14 -3.12 0.17 0.00 -1.51 0.00 0.00 54.79 50.18 1cbu n ASP 503 Cb 0.55 -1.41 0.93 0.00 2.34 0.00 0.00 41.12 43.53 1cbu n ASP 503 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 1cbu h TYR 504 N 6.36 0.00 0.03 -0.67 0.05 -1.98 0.19 116.97 120.95 1cbu h TYR 504 Ca 0.25 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.78 1cbu h TYR 504 Cb 0.78 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.53 1cbu h TYR 504 CO 0.96 0.00 -1.03 0.00 -1.05 0.00 0.00 178.16 177.04 1cbu h ALA 505 N 1.93 0.25 0.12 3.88 0.00 -1.99 -2.85 119.26 120.59 1cbu h ALA 505 Ca 0.02 -0.73 -0.29 0.00 0.00 0.00 0.00 54.91 53.91 1cbu h ALA 505 Cb 0.13 0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.96 1cbu h ALA 505 CO -0.00 0.80 -1.23 0.00 0.00 0.00 0.00 179.25 178.82 1cbu h ALA 506 N 0.61 0.06 -0.52 0.00 0.00 -1.80 -3.11 119.26 114.50 1cbu h ALA 506 Ca -0.11 -0.80 -0.02 0.00 0.00 0.00 0.00 54.91 53.98 1cbu h ALA 506 Cb 1.68 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 1cbu h ALA 506 CO 0.18 0.78 0.25 0.52 0.00 0.00 0.00 179.25 180.99 1cbu h MET 507 N 0.20 0.75 -0.99 0.00 2.07 -1.09 -1.46 114.93 114.41 1cbu h MET 507 Ca -0.17 -0.11 0.19 0.00 -2.07 0.00 0.00 59.70 57.54 1cbu h MET 507 Cb 1.91 -0.13 -0.11 0.00 -1.87 0.00 0.00 31.60 31.40 1cbu h MET 507 CO 0.22 0.63 0.60 1.49 1.07 0.00 0.00 176.91 180.92 1cbu h GLU 508 N 0.70 0.73 -0.30 1.72 4.81 -1.56 -1.28 114.58 119.40 1cbu h GLU 508 Ca 0.18 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1cbu h GLU 508 Cb 0.12 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1cbu h GLU 508 CO -0.02 0.48 0.04 0.00 -0.73 0.00 0.00 179.01 178.78 1cbu h ARG 509 N 0.75 0.50 -0.66 1.92 3.08 -1.21 -1.97 114.38 116.80 1cbu h ARG 509 Ca 0.57 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.48 1cbu h ARG 509 Cb 0.88 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.84 1cbu h ARG 509 CO -0.38 0.61 0.41 0.00 -1.07 0.00 0.00 179.97 179.54 1cbu h ALA 510 N 0.87 0.84 -0.62 0.04 0.00 -0.79 -1.73 119.26 117.86 1cbu h ALA 510 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1cbu h ALA 510 Cb 0.36 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1cbu h ALA 510 CO 0.01 0.30 0.40 0.82 0.00 0.00 0.00 179.25 180.78 1cbu h ILE 511 N 0.90 1.17 -0.63 0.00 2.04 -1.26 -1.85 117.51 117.87 1cbu h ILE 511 Ca 0.24 -0.32 0.11 0.00 1.00 0.00 0.00 64.86 65.89 1cbu h ILE 511 Cb -0.05 0.26 -0.08 0.00 -0.74 0.00 0.00 36.82 36.21 1cbu h ILE 511 CO -0.05 0.16 0.21 0.44 0.00 0.00 0.00 178.15 178.91 1cbu h ASP 512 N 0.84 0.16 0.14 1.72 3.32 -0.80 0.30 116.42 122.10 1cbu h ASP 512 Ca 0.23 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1cbu h ASP 512 Cb -0.08 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1cbu h ASP 512 CO -0.05 0.08 -0.37 0.44 -1.72 0.00 0.00 179.24 177.63 1cbu h ASP 513 N 0.36 -1.10 -0.98 6.45 3.32 -0.55 0.60 116.42 124.53 1cbu h ASP 513 Ca 0.33 0.11 0.24 0.00 0.02 0.00 0.00 57.03 57.73 1cbu h ASP 513 Cb 0.45 0.40 -0.08 0.00 0.22 0.00 0.00 39.33 40.32 1cbu h ASP 513 CO -0.36 -0.41 0.64 -0.08 -1.72 0.00 0.00 179.24 177.32 1cbu h GLU 514 N -0.57 0.37 -0.34 3.56 4.57 -0.72 0.45 114.58 121.90 1cbu h GLU 514 Ca -0.01 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1cbu h GLU 514 Cb 0.55 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1cbu h GLU 514 CO -0.17 0.25 0.12 0.82 -1.18 0.00 0.00 179.01 178.85 1cbu h ILE 515 N 0.38 1.20 -0.22 2.32 1.08 0.20 -1.81 117.51 120.66 1cbu h ILE 515 Ca 0.53 -0.63 -0.04 0.00 -0.39 0.00 0.00 64.86 64.33 1cbu h ILE 515 Cb 1.37 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 36.07 1cbu h ILE 515 CO -0.22 0.22 -0.04 -0.61 -0.69 0.00 0.00 178.15 176.81 1cbu h GLN 516 N 0.40 0.34 0.05 2.37 5.75 0.46 0.18 115.11 124.66 1cbu h GLN 516 Ca 0.11 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1cbu h GLN 516 Cb 0.22 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.72 1cbu h GLN 516 CO -0.01 0.41 -0.02 0.82 -2.65 0.00 0.00 178.83 177.38 1cbu h ILE 517 N 0.33 1.17 0.09 2.39 2.04 -0.86 0.17 117.51 122.83 1cbu h ILE 517 Ca 0.07 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.22 1cbu h ILE 517 Cb 0.30 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 1cbu h ILE 517 CO 0.01 0.18 -0.21 0.25 0.00 0.00 0.00 178.15 178.39 1cbu h LEU 518 N -0.38 -0.58 -1.47 1.44 5.85 -0.92 0.72 115.31 119.97 1cbu h LEU 518 Ca -0.01 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.87 1cbu h LEU 518 Cb 0.35 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 1cbu h LEU 518 CO 0.01 -0.29 0.45 0.40 -0.34 0.00 0.00 178.44 178.68 1cbu h ILE 519 N -0.38 0.96 0.16 4.05 2.04 -0.61 -1.63 117.51 122.10 1cbu h ILE 519 Ca 0.03 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1cbu h ILE 519 Cb 0.41 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1cbu h ILE 519 CO -0.13 0.11 -0.08 0.00 0.00 0.00 0.00 178.15 178.05 1cbu h ALA 520 N 1.64 -0.22 -0.25 1.87 0.00 0.11 -3.15 119.26 119.26 1cbu h ALA 520 Ca 0.31 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1cbu h ALA 520 Cb 0.40 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1cbu h ALA 520 CO -0.10 -0.39 0.20 0.00 0.00 0.00 0.00 179.25 178.96 1cbu h ALA 521 N 0.02 2.15 0.00 0.00 0.00 0.74 -0.59 119.26 121.58 1cbu h ALA 521 Ca -0.02 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1cbu h ALA 521 Cb 0.50 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1cbu h ALA 521 CO 0.04 -0.33 -0.43 0.00 0.00 0.00 0.00 179.25 178.53 1cbu h GLN 523 N 0.00 0.10 -0.08 0.00 4.20 -1.07 -3.24 115.11 115.02 1cbu h GLN 523 Ca -0.00 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1cbu h GLN 523 Cb 0.79 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.61 1cbu h GLN 523 CO 0.06 0.93 0.00 0.54 -0.67 0.00 0.00 178.83 179.69 1cbu n ARG 524 N -3.57 1.85 -3.63 1.46 1.74 -1.11 -4.86 116.66 108.55 1cbu n ARG 524 Ca -0.02 -1.25 -0.36 0.00 -0.77 0.00 0.00 57.85 55.45 1cbu n ARG 524 Cb 0.84 -1.46 -0.08 0.00 -1.02 0.00 0.00 32.46 30.74 1cbu n ARG 524 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1cbu h PRO 526 N 6.70 0.00 -7.30 0.00 0.13 -1.77 -3.47 132.00 126.29 1cbu h PRO 526 Ca -0.41 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.22 1cbu h PRO 526 Cb 1.16 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.36 1cbu h PRO 526 CO 0.76 0.10 0.38 0.00 -0.23 0.00 0.00 178.00 179.01 1cbu s ALA 527 N -3.21 2.80 -0.08 -0.56 0.00 -1.26 -4.41 121.76 115.04 1cbu s ALA 527 Ca 0.06 0.12 -0.30 0.00 0.00 0.00 0.00 51.96 51.84 1cbu s ALA 527 Cb 0.06 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 1cbu s ALA 527 CO 0.67 -0.97 1.31 0.21 0.00 0.00 0.00 175.76 176.99 1cbu s LYS 528 N -4.81 4.28 -0.16 0.00 2.20 -0.04 -4.87 119.74 116.34 1cbu s LYS 528 Ca 0.59 1.79 0.01 0.00 -0.36 0.00 0.00 55.97 57.99 1cbu s LYS 528 Cb -0.13 -3.67 0.02 0.00 -1.51 0.00 0.00 37.83 32.54 1cbu s LYS 528 CO 0.50 -0.60 -0.16 0.08 -0.36 0.00 0.00 175.35 174.80 1cbu s VAL 529 N 2.84 1.76 -0.11 4.02 1.01 -1.26 0.37 120.40 129.04 1cbu s VAL 529 Ca 0.59 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1cbu s VAL 529 Cb -0.26 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 1cbu s VAL 529 CO 0.21 0.48 -0.11 -0.69 0.00 0.00 0.00 175.10 174.99 1cbu s VAL 530 N 1.41 3.30 -0.10 2.92 1.01 0.15 -1.54 120.40 127.54 1cbu s VAL 530 Ca 0.05 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.46 1cbu s VAL 530 Cb -0.13 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 1cbu s VAL 530 CO -0.11 0.54 -0.20 -0.76 0.00 0.00 0.00 175.10 174.57 1cbu s LEU 531 N -0.05 2.34 -0.17 3.92 1.43 -0.12 -0.22 118.68 125.80 1cbu s LEU 531 Ca -0.02 -0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 52.56 1cbu s LEU 531 Cb -0.14 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 1cbu s LEU 531 CO 0.03 0.18 0.06 -0.69 0.23 0.00 0.00 176.35 176.17 1cbu s VAL 532 N 0.24 4.82 0.31 -1.59 1.01 0.06 0.35 120.40 125.60 1cbu s VAL 532 Ca -0.13 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 61.86 1cbu s VAL 532 Cb -0.16 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1cbu s VAL 532 CO 0.07 0.49 0.20 0.28 0.00 0.00 0.00 175.10 176.13 1cbu s THR 533 N 0.14 0.19 0.06 3.92 -1.32 0.94 -1.77 115.64 117.79 1cbu s THR 533 Ca 0.05 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 58.59 1cbu s THR 533 Cb -0.12 -2.48 -0.03 0.00 -1.51 0.00 0.00 72.50 68.36 1cbu s THR 533 CO 0.01 0.00 -0.17 0.20 -2.21 0.00 0.00 174.62 172.44 1cbu s ASN 534 N -3.37 2.08 -0.24 8.08 0.02 -1.26 -2.75 114.94 117.50 1cbu s ASN 534 Ca 0.37 -0.56 -0.19 0.00 -1.02 0.00 0.00 52.86 51.46 1cbu s ASN 534 Cb 0.04 -0.13 -0.03 0.00 0.02 0.00 0.00 41.25 41.15 1cbu s ASN 534 CO 0.20 0.05 0.54 -1.61 0.02 0.00 0.00 177.10 176.31 1cbu s GLU 535 N -1.45 4.11 -0.05 -0.60 0.41 0.14 -4.78 118.70 116.49 1cbu s GLU 535 Ca 0.04 0.40 0.07 0.00 -0.41 0.00 0.00 54.97 55.07 1cbu s GLU 535 Cb -0.09 -3.63 0.11 0.00 -1.78 0.00 0.00 34.13 28.74 1cbu s GLU 535 CO 0.02 -0.32 0.98 1.33 -0.49 0.00 0.00 175.26 176.79 1cbu n VAL 536 N 5.02 0.90 -0.91 2.63 0.24 -1.26 -4.48 118.33 120.48 1cbu n VAL 536 Ca -0.03 -1.04 0.08 0.00 -2.04 0.00 0.00 64.34 61.31 1cbu n VAL 536 Cb 0.50 0.30 0.23 0.00 -1.47 0.00 0.00 33.84 33.39 1cbu n VAL 536 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1cbu n GLY 537 N -0.64 4.01 1.19 7.63 0.00 -1.26 -4.62 105.19 111.50 1cbu n GLY 537 Ca 0.06 -0.98 0.08 0.00 0.00 0.00 0.00 46.02 45.19 1cbu n GLY 537 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1cbu n MET 538 N -0.53 3.52 -0.81 1.61 2.81 -1.26 -4.93 117.12 117.52 1cbu n MET 538 Ca 0.19 -2.93 0.00 0.00 -1.81 0.00 0.00 57.70 53.16 1cbu n MET 538 Cb 0.81 -1.96 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 1cbu n MET 538 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1cbu n GLY 539 N -0.14 3.24 3.91 3.03 0.00 -1.26 -5.12 105.19 108.85 1cbu n GLY 539 Ca 0.23 -2.11 -0.27 0.00 0.00 0.00 0.00 46.02 43.87 1cbu n GLY 539 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cbu s ILE 540 N 0.84 4.97 -0.21 -0.61 -1.09 -1.26 -5.01 121.20 118.83 1cbu s ILE 540 Ca 0.00 0.04 -0.29 0.00 -2.23 0.00 0.00 60.65 58.17 1cbu s ILE 540 Cb 0.00 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 37.00 1cbu s ILE 540 CO 0.00 -0.69 1.80 -0.69 -1.23 0.00 0.00 174.94 174.14 1cbu s VAL 541 N -2.52 3.44 0.56 2.92 1.01 -1.26 -4.95 120.40 119.59 1cbu s VAL 541 Ca 0.45 0.49 -0.19 0.00 0.00 0.00 0.00 61.98 62.74 1cbu s VAL 541 Cb -0.10 -3.49 -0.09 0.00 0.00 0.00 0.00 36.38 32.71 1cbu s VAL 541 CO 0.40 -0.23 0.57 -2.65 0.00 0.00 0.00 175.10 173.18 1cbu n PRO 542 N 8.00 0.56 0.01 2.72 -0.02 -1.26 -4.93 135.00 140.09 1cbu n PRO 542 Ca 0.22 0.22 -0.20 0.00 -2.02 0.00 0.00 63.50 61.71 1cbu n PRO 542 Cb 0.45 -1.73 -0.14 0.00 -0.02 0.00 0.00 33.50 32.07 1cbu n PRO 542 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1cbu h GLU 543 N 0.34 0.23 -6.91 -0.52 4.57 -1.98 -3.44 114.58 106.87 1cbu h GLU 543 Ca -0.45 -0.39 -0.56 0.00 -1.18 0.00 0.00 59.36 56.78 1cbu h GLU 543 Cb 1.40 0.15 0.18 0.00 -0.16 0.00 0.00 28.75 30.31 1cbu h GLU 543 CO 0.48 1.19 0.06 -1.71 -1.18 0.00 0.00 179.01 177.84 1cbu n ASN 544 N -4.08 0.35 -0.07 1.04 2.85 -1.26 -4.94 115.26 109.15 1cbu n ASN 544 Ca -0.20 0.68 -0.13 0.00 -0.11 0.00 0.00 54.58 54.81 1cbu n ASN 544 Cb 0.83 -1.39 -0.12 0.00 1.24 0.00 0.00 39.78 40.35 1cbu n ASN 544 CO 0.00 0.00 0.00 0.08 -2.11 0.00 0.00 177.26 175.23 1cbu h ARG 545 N -0.17 0.00 -0.15 1.20 -0.00 -1.98 -3.03 114.38 110.25 1cbu h ARG 545 Ca -0.47 0.00 0.05 0.00 -0.00 0.00 0.00 59.98 59.55 1cbu h ARG 545 Cb 1.34 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 31.26 1cbu h ARG 545 CO 0.47 0.90 -0.18 1.25 -0.00 0.00 0.00 179.97 182.41 1cbu h LEU 546 N -1.00 -0.56 -0.77 0.08 6.46 -1.93 -2.14 115.31 115.45 1cbu h LEU 546 Ca -0.03 0.10 0.18 0.00 -0.12 0.00 0.00 57.88 58.01 1cbu h LEU 546 Cb 0.93 0.26 -0.12 0.00 -0.73 0.00 0.00 40.66 41.00 1cbu h LEU 546 CO -0.02 -0.23 0.13 0.00 -0.62 0.00 0.00 178.44 177.70 1cbu h ALA 547 N 0.83 0.96 -0.80 1.25 0.00 -1.97 0.40 119.26 119.92 1cbu h ALA 547 Ca 0.10 0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.25 1cbu h ALA 547 Cb 0.37 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1cbu h ALA 547 CO -0.28 -0.40 0.51 -0.09 0.00 0.00 0.00 179.25 179.00 1cbu h ARG 548 N 0.20 0.97 -0.00 0.00 2.43 -1.25 -1.65 114.38 115.07 1cbu h ARG 548 Ca 0.44 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.55 1cbu h ARG 548 Cb 0.80 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1cbu h ARG 548 CO -0.60 0.64 -0.01 0.45 -1.51 0.00 0.00 179.97 178.95 1cbu h HIS 549 N 1.00 0.02 -0.73 2.20 3.86 -0.92 -2.87 115.15 117.71 1cbu h HIS 549 Ca 0.32 -0.01 0.17 0.00 -1.16 0.00 0.00 60.37 59.69 1cbu h HIS 549 Cb 0.01 -0.00 -0.12 0.00 1.06 0.00 0.00 27.41 28.36 1cbu h HIS 549 CO -0.03 0.57 0.07 0.35 0.86 0.00 0.00 177.93 179.75 1cbu h PHE 550 N -0.54 0.07 -0.51 2.45 3.57 -0.13 0.78 116.94 122.64 1cbu h PHE 550 Ca 0.00 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.58 1cbu h PHE 550 Cb 0.57 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 1cbu h PHE 550 CO 0.12 -0.18 0.29 -0.09 -2.23 0.00 0.00 178.31 176.21 1cbu h ARG 551 N 0.16 0.55 0.65 1.11 2.43 -1.29 0.60 114.38 118.59 1cbu h ARG 551 Ca 0.41 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.51 1cbu h ARG 551 Cb 0.71 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1cbu h ARG 551 CO -0.60 0.36 -0.31 -0.44 -1.51 0.00 0.00 179.97 177.47 1cbu h ASP 552 N 0.56 -0.74 -0.57 -3.80 3.32 -0.92 -1.94 116.42 112.34 1cbu h ASP 552 Ca 0.21 0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.37 1cbu h ASP 552 Cb 0.07 0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.74 1cbu h ASP 552 CO -0.12 -0.36 0.18 0.40 -1.72 0.00 0.00 179.24 177.62 1cbu h ILE 553 N -1.21 0.75 -0.98 0.35 2.04 -0.89 0.83 117.51 118.39 1cbu h ILE 553 Ca -0.09 -0.12 0.06 0.00 1.00 0.00 0.00 64.86 65.71 1cbu h ILE 553 Cb 0.69 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 1cbu h ILE 553 CO 0.15 0.06 0.64 0.00 0.00 0.00 0.00 178.15 179.00 1cbu h ALA 554 N 1.41 1.42 -0.19 1.87 0.00 0.19 -1.44 119.26 122.51 1cbu h ALA 554 Ca 0.29 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.01 1cbu h ALA 554 Cb 0.37 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1cbu h ALA 554 CO -0.31 0.44 -0.54 0.78 0.00 0.00 0.00 179.25 179.61 1cbu h GLY 555 N 1.16 0.63 1.56 0.00 0.00 -0.25 -2.84 103.07 103.33 1cbu h GLY 555 Ca 0.42 -0.73 -0.17 0.00 0.00 0.00 0.00 47.33 46.85 1cbu h GLY 555 CO -0.16 0.65 -0.63 3.21 0.00 0.00 0.00 176.54 179.61 1cbu h ARG 556 N 0.44 0.45 -0.73 4.80 3.08 -0.43 -2.89 114.38 119.09 1cbu h ARG 556 Ca 0.01 -0.32 -0.06 0.00 0.07 0.00 0.00 59.98 59.68 1cbu h ARG 556 Cb 1.09 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.16 1cbu h ARG 556 CO 0.10 0.94 0.23 0.28 -1.07 0.00 0.00 179.97 180.45 1cbu h VAL 557 N 0.33 1.26 0.00 2.04 2.07 -1.29 -1.39 116.25 119.27 1cbu h VAL 557 Ca -0.01 -0.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.55 1cbu h VAL 557 Cb 1.19 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1cbu h VAL 557 CO 0.11 0.36 -0.23 0.78 0.02 0.00 0.00 177.57 178.60 1cbu h ASN 558 N 1.09 0.00 -0.51 0.57 2.35 -1.42 -2.43 115.58 115.22 1cbu h ASN 558 Ca 0.24 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.87 1cbu h ASN 558 Cb 0.31 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 1cbu h ASN 558 CO -0.01 0.23 -0.15 1.56 -1.65 0.00 0.00 177.43 177.42 1cbu h GLN 559 N 0.00 1.01 0.86 0.81 4.20 -1.05 -1.51 115.11 119.43 1cbu h GLN 559 Ca -0.00 -0.40 -0.04 0.00 0.06 0.00 0.00 58.65 58.27 1cbu h GLN 559 Cb 0.48 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1cbu h GLN 559 CO 0.03 1.08 -0.47 0.00 -0.67 0.00 0.00 178.83 178.80 1cbu h ARG 560 N 0.87 -1.18 -0.34 1.46 3.08 -1.21 -2.77 114.38 114.30 1cbu h ARG 560 Ca 0.13 0.08 0.06 0.00 0.07 0.00 0.00 59.98 60.32 1cbu h ARG 560 Cb 0.72 0.27 -0.08 0.00 0.08 0.00 0.00 29.97 30.96 1cbu h ARG 560 CO 0.06 -0.79 -0.46 -0.07 -1.07 0.00 0.00 179.97 177.64 1cbu h LEU 561 N -1.23 -1.51 -0.99 3.04 3.38 -1.45 -0.91 115.31 115.65 1cbu h LEU 561 Ca -0.12 0.21 0.29 0.00 0.09 0.00 0.00 57.88 58.36 1cbu h LEU 561 Cb 0.96 0.64 -0.14 0.00 0.09 0.00 0.00 40.66 42.21 1cbu h LEU 561 CO 0.16 -0.40 0.54 0.00 0.09 0.00 0.00 178.44 178.83 1cbu h ALA 562 N 0.23 1.84 -0.37 1.53 0.00 -1.23 0.14 119.26 121.40 1cbu h ALA 562 Ca 0.11 0.18 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 1cbu h ALA 562 Cb 0.60 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1cbu h ALA 562 CO -0.54 -0.49 -0.33 0.00 0.00 0.00 0.00 179.25 177.89 1cbu h ALA 563 N 1.81 0.72 -0.00 0.00 0.00 -0.91 -2.73 119.26 118.15 1cbu h ALA 563 Ca 0.69 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1cbu h ALA 563 Cb 1.50 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1cbu h ALA 563 CO -0.58 0.66 -0.16 0.00 0.00 0.00 0.00 179.25 179.16 1cbu n ALA 564 N -2.52 2.79 -1.76 0.00 0.00 0.25 -4.86 120.51 114.41 1cbu n ALA 564 Ca -0.01 -0.22 -0.40 0.00 0.00 0.00 0.00 53.44 52.81 1cbu n ALA 564 Cb 0.50 -1.34 -0.05 0.00 0.00 0.00 0.00 19.45 18.56 1cbu n ALA 564 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cbu s ALA 565 N -2.82 3.38 0.04 0.00 0.00 0.23 -4.79 121.76 117.80 1cbu s ALA 565 Ca 0.18 0.80 -0.16 0.00 0.00 0.00 0.00 51.96 52.78 1cbu s ALA 565 Cb 0.19 -3.29 -0.30 0.00 0.00 0.00 0.00 23.12 19.73 1cbu s ALA 565 CO 0.56 -0.03 1.07 -0.44 0.00 0.00 0.00 175.76 176.91 1cbu h ASP 566 N 3.92 0.81 -4.34 0.00 5.19 -0.56 -3.46 116.42 117.98 1cbu h ASP 566 Ca -0.46 -0.84 -0.38 0.00 -0.62 0.00 0.00 57.03 54.73 1cbu h ASP 566 Cb 1.21 -0.26 -0.25 0.00 0.18 0.00 0.00 39.33 40.21 1cbu h ASP 566 CO 0.67 1.57 -0.77 -1.83 -3.12 0.00 0.00 179.24 175.76 1cbu s GLU 567 N -2.91 0.74 -0.08 3.56 -1.05 -1.22 -4.94 118.70 112.81 1cbu s GLU 567 Ca -0.10 -0.63 -0.00 0.00 -0.15 0.00 0.00 54.97 54.08 1cbu s GLU 567 Cb 0.05 -0.69 0.02 0.00 -0.44 0.00 0.00 34.13 33.07 1cbu s GLU 567 CO 0.91 0.17 -0.04 0.08 0.95 0.00 0.00 175.26 177.34 1cbu s VAL 568 N -0.81 0.62 -0.15 1.83 1.01 -1.26 -0.24 120.40 121.41 1cbu s VAL 568 Ca -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 1cbu s VAL 568 Cb -0.07 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 1cbu s VAL 568 CO 0.01 0.28 -0.10 0.26 0.00 0.00 0.00 175.10 175.55 1cbu s TRP 569 N 1.58 2.87 -0.27 5.22 0.52 -0.10 0.13 118.94 128.89 1cbu s TRP 569 Ca 0.00 -0.71 -0.04 0.00 0.02 0.00 0.00 56.10 55.37 1cbu s TRP 569 Cb -0.13 -1.92 0.02 0.00 -1.15 0.00 0.00 33.47 30.29 1cbu s TRP 569 CO -0.04 -0.29 0.01 -1.17 0.02 0.00 0.00 176.95 175.48 1cbu s LEU 570 N 0.64 3.50 -0.23 2.99 2.96 0.15 -0.21 118.68 128.47 1cbu s LEU 570 Ca -0.06 -0.77 -0.11 0.00 -0.22 0.00 0.00 54.13 52.97 1cbu s LEU 570 Cb -0.15 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.72 1cbu s LEU 570 CO 0.03 -0.15 0.20 -0.69 -1.32 0.00 0.00 176.35 174.41 1cbu s VAL 571 N 1.42 5.33 -0.08 1.68 1.01 -0.45 -0.21 120.40 129.10 1cbu s VAL 571 Ca 0.02 0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 1cbu s VAL 571 Cb -0.17 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.70 1cbu s VAL 571 CO -0.01 0.33 0.00 0.54 0.00 0.00 0.00 175.10 175.96 1cbu s VAL 572 N 1.10 0.39 -1.52 2.92 0.11 -0.55 -4.32 120.40 118.52 1cbu s VAL 572 Ca 0.09 0.07 -0.05 0.00 -2.93 0.00 0.00 61.98 59.17 1cbu s VAL 572 Cb -0.14 -0.57 0.02 0.00 -1.53 0.00 0.00 36.38 34.15 1cbu s VAL 572 CO 0.05 0.23 0.53 -1.20 -3.33 0.00 0.00 175.10 171.38 1cbu n SER 573 N 5.14 -5.69 0.00 3.54 7.64 -1.22 -1.33 113.62 121.69 1cbu n SER 573 Ca -0.07 -0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.54 1cbu n SER 573 Cb 0.50 -4.63 0.00 0.00 -1.01 0.00 0.00 64.21 59.07 1cbu n SER 573 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cbu n GLY 574 N -1.41 0.81 3.52 0.23 0.00 0.20 -4.98 105.19 103.55 1cbu n GLY 574 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1cbu n GLY 574 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cbu s ILE 575 N -3.32 5.18 0.18 -0.61 -1.09 -0.44 -4.97 121.20 116.13 1cbu s ILE 575 Ca 0.00 -0.19 -0.30 0.00 -2.23 0.00 0.00 60.65 57.93 1cbu s ILE 575 Cb 0.00 -3.87 -0.08 0.00 -1.58 0.00 0.00 42.46 36.93 1cbu s ILE 575 CO 0.00 -0.19 1.00 -0.83 -1.23 0.00 0.00 174.94 173.70 1cbu s GLY 576 N 1.74 3.00 -0.18 6.18 0.00 -1.26 -1.48 107.32 115.32 1cbu s GLY 576 Ca 0.10 0.68 -0.00 0.00 0.00 0.00 0.00 44.72 45.50 1cbu s GLY 576 CO 0.12 1.44 -0.05 0.14 0.00 0.00 0.00 173.10 174.74 1cbu s VAL 577 N -0.52 1.19 -0.39 1.40 1.01 0.70 -4.96 120.40 118.83 1cbu s VAL 577 Ca 0.46 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 61.41 1cbu s VAL 577 Cb -0.27 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.75 1cbu s VAL 577 CO 0.33 0.09 1.33 -0.75 0.00 0.00 0.00 175.10 176.10 1cbu s LYS 578 N 1.59 3.69 -0.05 2.72 2.20 -1.26 -0.67 119.74 127.96 1cbu s LYS 578 Ca -0.00 0.96 0.16 0.00 -0.36 0.00 0.00 55.97 56.73 1cbu s LYS 578 Cb -0.16 -3.96 -0.21 0.00 -1.51 0.00 0.00 37.83 31.99 1cbu s LYS 578 CO -0.08 -1.41 0.55 0.44 -0.36 0.00 0.00 175.35 174.49 1cbu n ILE 579 N 6.79 1.28 -0.89 5.43 -5.35 0.12 -5.00 119.36 121.74 1cbu n ILE 579 Ca 0.15 -0.75 0.00 0.00 -0.27 0.00 0.00 62.75 61.88 1cbu n ILE 579 Cb 0.48 -0.70 0.00 0.00 -1.74 0.00 0.00 39.64 37.68 1cbu n ILE 579 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96