#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aer n LEU 401 N 0.00 0.01 0.00 4.37 4.77 -1.26 -4.71 117.00 120.18 1aer n LEU 401 Ca 0.00 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1aer n LEU 401 Cb 0.00 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1aer n LEU 401 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1aer n GLY 402 N 1.47 -2.77 3.76 -0.72 0.00 -1.26 -4.77 105.19 100.90 1aer n GLY 402 Ca 0.08 -1.70 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 1aer n GLY 402 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aer s ASP 403 N -1.82 6.99 0.00 1.61 1.01 -1.26 -4.97 116.67 118.23 1aer s ASP 403 Ca 0.00 1.18 0.00 0.00 0.71 0.00 0.00 52.55 54.44 1aer s ASP 403 Cb 0.00 -2.37 0.00 0.00 1.01 0.00 0.00 42.92 41.56 1aer s ASP 403 CO 0.00 0.11 0.00 0.61 0.21 0.00 0.00 175.17 176.10 1aer n GLY 404 N 2.40 -0.22 3.95 0.21 0.00 -1.26 -4.99 105.19 105.28 1aer n GLY 404 Ca -0.07 -1.32 -0.25 0.00 0.00 0.00 0.00 46.02 44.38 1aer n GLY 404 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aer s GLY 405 N 0.00 1.73 0.03 -0.02 0.00 -1.26 -4.99 107.32 102.81 1aer s GLY 405 Ca 0.00 -1.17 -0.31 0.00 0.00 0.00 0.00 44.72 43.24 1aer s GLY 405 CO 0.00 -0.69 1.93 1.22 0.00 0.00 0.00 173.10 175.55 1aer n ASP 406 N -2.96 3.99 -4.79 1.64 8.00 -1.26 -4.95 116.55 116.21 1aer n ASP 406 Ca 0.10 0.93 -0.35 0.00 0.71 0.00 0.00 54.79 56.19 1aer n ASP 406 Cb 0.60 -1.50 -0.04 0.00 -0.02 0.00 0.00 41.12 40.17 1aer n ASP 406 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1aer s VAL 407 N 4.03 3.78 0.13 2.53 1.01 -1.26 -4.72 120.40 125.90 1aer s VAL 407 Ca 0.88 1.18 -0.24 0.00 0.00 0.00 0.00 61.98 63.80 1aer s VAL 407 Cb -0.50 -3.51 0.07 0.00 0.00 0.00 0.00 36.38 32.44 1aer s VAL 407 CO 0.43 -0.17 0.63 -0.94 0.00 0.00 0.00 175.10 175.05 1aer s SER 408 N -1.87 -0.56 -0.13 3.32 1.04 -0.91 -4.96 113.70 109.64 1aer s SER 408 Ca 0.65 0.05 -0.03 0.00 0.48 0.00 0.00 55.95 57.09 1aer s SER 408 Cb -0.18 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 1aer s SER 408 CO 0.22 -0.91 -0.01 -0.36 0.98 0.00 0.00 173.24 173.16 1aer s PHE 409 N -3.52 3.11 0.11 5.02 0.08 -1.26 0.16 117.98 121.68 1aer s PHE 409 Ca 0.01 -0.05 -0.15 0.00 0.12 0.00 0.00 56.93 56.86 1aer s PHE 409 Cb -0.01 -1.91 0.03 0.00 -0.57 0.00 0.00 43.02 40.56 1aer s PHE 409 CO -0.11 0.19 0.36 -1.54 -0.10 0.00 0.00 175.22 174.02 1aer s SER 410 N -0.12 -0.17 0.47 1.36 1.04 -1.12 -4.93 113.70 110.22 1aer s SER 410 Ca 0.04 -0.35 0.21 0.00 0.48 0.00 0.00 55.95 56.34 1aer s SER 410 Cb -0.13 0.44 1.18 0.00 0.10 0.00 0.00 66.02 67.61 1aer s SER 410 CO 0.02 -0.81 1.99 0.71 0.98 0.00 0.00 173.24 176.14 1aer h THR 411 N 2.52 0.82 -0.36 2.02 1.35 -1.95 0.19 112.91 117.50 1aer h THR 411 Ca -0.34 -0.73 -0.05 0.00 -0.55 0.00 0.00 66.41 64.75 1aer h THR 411 Cb 1.24 1.43 -0.02 0.00 -1.73 0.00 0.00 68.15 69.08 1aer h THR 411 CO 0.48 0.18 0.02 -0.09 -0.25 0.00 0.00 175.52 175.87 1aer h ARG 412 N 0.00 0.55 0.00 4.72 2.43 -1.96 -3.46 114.38 116.66 1aer h ARG 412 Ca -0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1aer h ARG 412 Cb 0.42 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1aer h ARG 412 CO 0.02 0.56 0.00 0.41 -1.51 0.00 0.00 179.97 179.45 1aer n GLY 413 N -0.90 3.75 3.59 2.80 0.00 0.67 -5.02 105.19 110.07 1aer n GLY 413 Ca 0.02 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 1aer n GLY 413 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aer s THR 414 N -2.00 3.43 0.15 2.61 2.01 -1.26 -2.81 115.64 117.77 1aer s THR 414 Ca 0.00 0.41 -0.31 0.00 0.31 0.00 0.00 61.69 62.09 1aer s THR 414 Cb 0.00 -3.68 -0.10 0.00 0.01 0.00 0.00 72.50 68.73 1aer s THR 414 CO 0.00 -0.50 1.59 -1.10 -0.69 0.00 0.00 174.62 173.92 1aer s GLN 415 N 6.04 4.21 -0.27 4.92 -1.52 0.43 -3.00 119.66 130.46 1aer s GLN 415 Ca 0.78 2.36 0.00 0.00 -1.95 0.00 0.00 55.36 56.55 1aer s GLN 415 Cb -0.20 -3.24 0.00 0.00 -0.22 0.00 0.00 33.01 29.35 1aer s GLN 415 CO 0.31 -0.63 0.00 0.09 -0.25 0.00 0.00 175.29 174.80 1aer n ASN 416 N 4.29 -3.39 -4.26 5.90 3.02 -1.26 -2.15 115.26 117.42 1aer n ASN 416 Ca 0.14 0.06 -0.39 0.00 -0.03 0.00 0.00 54.58 54.37 1aer n ASN 416 Cb 0.39 -1.12 -0.11 0.00 -0.61 0.00 0.00 39.78 38.33 1aer n ASN 416 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1aer s TRP 417 N -2.07 3.33 0.19 3.10 -0.11 -1.16 -4.80 118.94 117.42 1aer s TRP 417 Ca 0.00 -1.57 0.06 0.00 1.22 0.00 0.00 56.10 55.81 1aer s TRP 417 Cb 0.00 -2.68 -0.04 0.00 -1.50 0.00 0.00 33.47 29.25 1aer s TRP 417 CO 0.00 -0.81 0.13 0.95 -4.62 0.00 0.00 176.95 172.60 1aer s THR 418 N 1.39 4.34 0.30 5.86 -4.23 -1.26 -4.98 115.64 117.06 1aer s THR 418 Ca 0.01 -1.24 0.37 0.00 -1.18 0.00 0.00 61.69 59.65 1aer s THR 418 Cb -0.21 -3.25 0.38 0.00 1.34 0.00 0.00 72.50 70.76 1aer s THR 418 CO 0.02 -0.19 2.12 0.58 -0.54 0.00 0.00 174.62 176.61 1aer h VAL 419 N 1.94 0.00 -0.02 2.29 2.07 -1.97 0.13 116.25 120.68 1aer h VAL 419 Ca -0.48 -0.15 -0.24 0.00 0.82 0.00 0.00 66.70 66.65 1aer h VAL 419 Cb 1.21 1.05 0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1aer h VAL 419 CO 0.62 0.00 -0.96 -0.33 0.02 0.00 0.00 177.57 176.92 1aer h GLU 420 N 0.00 0.59 -0.19 1.57 3.07 -2.00 -2.11 114.58 115.52 1aer h GLU 420 Ca 0.00 -0.61 -0.15 0.00 -0.50 0.00 0.00 59.36 58.10 1aer h GLU 420 Cb 0.16 0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 1aer h GLU 420 CO 0.00 1.22 -0.51 -0.09 -1.40 0.00 0.00 179.01 178.23 1aer h ARG 421 N 0.35 0.53 0.01 2.33 2.43 -1.23 -2.90 114.38 115.90 1aer h ARG 421 Ca -0.10 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1aer h ARG 421 Cb 1.60 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.17 1aer h ARG 421 CO 0.18 0.92 -0.03 1.25 -1.51 0.00 0.00 179.97 180.78 1aer h LEU 422 N 0.41 -0.08 -0.83 3.80 5.85 -0.91 -2.17 115.31 121.38 1aer h LEU 422 Ca 0.02 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.85 1aer h LEU 422 Cb 1.04 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 42.03 1aer h LEU 422 CO 0.10 -0.04 0.47 -0.07 -0.34 0.00 0.00 178.44 178.55 1aer h LEU 423 N -0.06 0.66 0.43 2.25 4.07 -1.26 0.92 115.31 122.31 1aer h LEU 423 Ca 0.01 0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.00 1aer h LEU 423 Cb 0.07 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1aer h LEU 423 CO -0.02 0.36 -0.20 -0.61 -1.08 0.00 0.00 178.44 176.88 1aer h GLN 424 N 0.77 -0.55 -1.00 1.13 4.15 -1.36 -2.41 115.11 115.83 1aer h GLN 424 Ca 0.41 0.04 0.19 0.00 0.77 0.00 0.00 58.65 60.06 1aer h GLN 424 Cb 0.42 0.13 -0.10 0.00 0.21 0.00 0.00 27.48 28.13 1aer h GLN 424 CO -0.27 -0.24 0.61 0.00 -1.93 0.00 0.00 178.83 177.00 1aer h ALA 425 N -0.51 1.69 -0.63 3.38 0.00 -1.06 0.12 119.26 122.24 1aer h ALA 425 Ca -0.06 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1aer h ALA 425 Cb 0.56 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1aer h ALA 425 CO 0.10 -0.05 0.12 1.25 0.00 0.00 0.00 179.25 180.66 1aer h HIS 426 N 0.76 1.07 -0.41 0.00 -0.00 -0.80 -2.52 115.15 113.26 1aer h HIS 426 Ca 0.57 -0.13 -0.15 0.00 -0.00 0.00 0.00 60.37 60.66 1aer h HIS 426 Cb 0.89 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.99 1aer h HIS 426 CO -0.00 0.90 -0.32 0.07 -0.00 0.00 0.00 177.93 178.57 1aer h ARG 427 N 0.96 0.93 -0.51 5.26 0.11 -0.28 -1.56 114.38 119.29 1aer h ARG 427 Ca 0.20 -0.45 0.01 0.00 0.10 0.00 0.00 59.98 59.84 1aer h ARG 427 Cb 0.39 -0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.44 1aer h ARG 427 CO 0.01 1.11 0.32 1.96 0.10 0.00 0.00 179.97 183.47 1aer h GLN 428 N 0.77 0.64 -0.52 0.08 4.20 -1.02 -1.71 115.11 117.55 1aer h GLN 428 Ca 0.08 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1aer h GLN 428 Cb 0.91 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.52 1aer h GLN 428 CO 0.08 0.42 0.33 -0.07 -0.67 0.00 0.00 178.83 178.93 1aer h LEU 429 N 0.66 0.61 -1.60 1.46 3.38 -1.29 -1.86 115.31 116.66 1aer h LEU 429 Ca 0.19 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1aer h LEU 429 Cb -0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1aer h LEU 429 CO -0.06 0.46 -0.21 -0.33 0.09 0.00 0.00 178.44 178.40 1aer h GLU 430 N 0.70 0.00 0.00 1.13 5.08 -0.96 -1.54 114.58 118.99 1aer h GLU 430 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1aer h GLU 430 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1aer h GLU 430 CO -0.04 0.21 0.00 0.93 -1.00 0.00 0.00 179.01 179.11 1aer h GLU 431 N 0.00 0.00 -0.36 2.33 5.08 -0.48 -2.73 114.58 118.42 1aer h GLU 431 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1aer h GLU 431 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1aer h GLU 431 CO 0.03 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.58 1aer n ARG 432 N -2.52 3.32 -1.04 2.33 5.12 -0.85 -4.99 116.66 118.03 1aer n ARG 432 Ca 0.03 -2.80 -0.01 0.00 -1.93 0.00 0.00 57.85 53.13 1aer n ARG 432 Cb 0.35 -1.85 -0.01 0.00 -1.16 0.00 0.00 32.46 29.79 1aer n ARG 432 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1aer n GLY 433 N -0.06 0.52 3.85 -0.13 0.00 -1.03 -4.99 105.19 103.34 1aer n GLY 433 Ca 0.22 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 1aer n GLY 433 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aer s TYR 434 N -2.00 3.58 0.01 1.61 1.51 -0.64 0.14 117.35 121.56 1aer s TYR 434 Ca 0.00 1.02 0.06 0.00 -1.01 0.00 0.00 57.07 57.13 1aer s TYR 434 Cb 0.00 -2.34 -0.02 0.00 -0.11 0.00 0.00 41.96 39.49 1aer s TYR 434 CO 0.00 0.41 -0.17 0.14 -1.11 0.00 0.00 175.55 174.82 1aer s VAL 435 N -1.51 1.34 0.08 0.71 -7.23 0.34 -4.07 120.40 110.05 1aer s VAL 435 Ca 0.39 -0.88 -0.30 0.00 -1.81 0.00 0.00 61.98 59.38 1aer s VAL 435 Cb -0.14 -1.15 -0.06 0.00 0.56 0.00 0.00 36.38 35.59 1aer s VAL 435 CO 0.19 0.25 1.19 0.12 -0.31 0.00 0.00 175.10 176.55 1aer s PHE 436 N -0.58 3.45 0.00 2.82 5.36 -1.26 -0.02 117.98 127.75 1aer s PHE 436 Ca 0.06 1.33 0.00 0.00 -0.96 0.00 0.00 56.93 57.36 1aer s PHE 436 Cb -0.07 -3.41 0.00 0.00 -0.34 0.00 0.00 43.02 39.20 1aer s PHE 436 CO 0.00 -1.22 0.30 1.33 -1.46 0.00 0.00 175.22 174.17 1aer n VAL 437 N 3.71 0.00 -0.12 3.12 0.24 -0.42 -4.62 118.33 120.24 1aer n VAL 437 Ca 0.08 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 1aer n VAL 437 Cb 0.46 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 1aer n VAL 437 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1aer n GLY 438 N 0.26 -1.30 3.77 7.63 0.00 -1.24 -4.47 105.19 109.82 1aer n GLY 438 Ca 0.00 -1.58 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 1aer n GLY 438 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aer s TYR 439 N -1.65 3.13 -0.15 1.61 1.51 0.53 -1.35 117.35 120.98 1aer s TYR 439 Ca 0.00 0.02 -0.00 0.00 -1.01 0.00 0.00 57.07 56.07 1aer s TYR 439 Cb 0.00 -1.55 0.03 0.00 -0.11 0.00 0.00 41.96 40.33 1aer s TYR 439 CO 0.00 0.52 -0.09 -1.58 -1.11 0.00 0.00 175.55 173.29 1aer s HIS 440 N -1.54 1.86 -0.16 2.71 2.46 -0.33 -0.35 115.29 119.94 1aer s HIS 440 Ca 0.29 -1.10 -0.11 0.00 0.47 0.00 0.00 55.06 54.62 1aer s HIS 440 Cb -0.11 -1.40 -0.05 0.00 -0.13 0.00 0.00 32.58 30.89 1aer s HIS 440 CO 0.22 -0.62 0.21 0.20 -2.47 0.00 0.00 174.74 172.28 1aer s GLY 441 N 1.59 2.15 0.29 1.59 0.00 -1.25 -1.29 107.32 110.39 1aer s GLY 441 Ca 0.03 -0.57 -0.06 0.00 0.00 0.00 0.00 44.72 44.11 1aer s GLY 441 CO -0.09 0.17 0.50 -0.37 0.00 0.00 0.00 173.10 173.31 1aer n THR 442 N 3.20 0.00 -2.22 0.90 5.66 0.55 -4.56 114.28 117.82 1aer n THR 442 Ca -0.15 -1.09 -0.30 0.00 -3.05 0.00 0.00 64.05 59.46 1aer n THR 442 Cb 0.52 0.82 0.00 0.00 -1.55 0.00 0.00 70.33 70.12 1aer n THR 442 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1aer s PHE 443 N -3.54 3.59 0.25 1.09 -0.71 -1.26 0.10 117.98 117.50 1aer s PHE 443 Ca 0.18 1.13 -0.11 0.00 -1.04 0.00 0.00 56.93 57.09 1aer s PHE 443 Cb -0.02 -2.57 0.35 0.00 -1.21 0.00 0.00 43.02 39.57 1aer s PHE 443 CO 0.13 -0.50 1.59 -0.07 -1.34 0.00 0.00 175.22 175.03 1aer h LEU 444 N 0.04 -0.82 -0.06 -1.99 3.38 -1.87 -0.74 115.31 113.24 1aer h LEU 444 Ca -0.45 0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1aer h LEU 444 Cb 1.19 0.53 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1aer h LEU 444 CO 0.62 -0.28 -0.10 -1.84 0.09 0.00 0.00 178.44 176.93 1aer n GLU 445 N -5.54 0.28 0.08 1.13 0.00 -1.26 -2.43 120.64 112.90 1aer n GLU 445 Ca 0.12 -0.06 -0.18 0.00 0.00 0.00 0.00 57.16 57.04 1aer n GLU 445 Cb 0.42 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.22 1aer n GLU 445 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1aer h ALA 446 N 3.26 0.21 -0.12 -1.84 0.00 -1.54 -2.59 119.26 116.65 1aer h ALA 446 Ca 0.00 -1.06 -0.01 0.00 0.00 0.00 0.00 54.91 53.84 1aer h ALA 446 Cb 0.41 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1aer h ALA 446 CO 0.00 1.08 0.05 0.00 0.00 0.00 0.00 179.25 180.37 1aer h ALA 447 N 0.46 0.15 -0.88 0.00 0.00 -1.28 -0.16 119.26 117.55 1aer h ALA 447 Ca -0.23 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.67 1aer h ALA 447 Cb 2.03 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.70 1aer h ALA 447 CO 0.18 -0.27 0.53 0.37 0.00 0.00 0.00 179.25 180.06 1aer h GLN 448 N 0.04 0.88 -0.11 0.00 5.75 -1.52 0.11 115.11 120.27 1aer h GLN 448 Ca 0.04 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 1aer h GLN 448 Cb 0.16 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.51 1aer h GLN 448 CO -0.00 0.58 0.02 1.03 -2.65 0.00 0.00 178.83 177.81 1aer h SER 449 N 0.91 0.16 -0.29 -0.69 0.87 -1.03 -2.04 113.55 111.44 1aer h SER 449 Ca 0.41 -0.24 -0.04 0.00 -1.23 0.00 0.00 61.79 60.69 1aer h SER 449 Cb 0.32 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1aer h SER 449 CO -0.22 0.36 0.04 0.40 -0.53 0.00 0.00 176.83 176.88 1aer h ILE 450 N -0.04 1.24 -0.20 2.23 2.04 -0.56 0.99 117.51 123.20 1aer h ILE 450 Ca 0.03 -0.82 -0.17 0.00 1.00 0.00 0.00 64.86 64.91 1aer h ILE 450 Cb 0.27 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1aer h ILE 450 CO 0.00 0.26 -0.56 0.58 0.00 0.00 0.00 178.15 178.43 1aer h VAL 451 N 0.30 1.31 0.00 1.67 2.07 -1.07 -2.28 116.25 118.25 1aer h VAL 451 Ca 0.09 -1.80 -0.11 0.00 0.82 0.00 0.00 66.70 65.69 1aer h VAL 451 Cb 0.35 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1aer h VAL 451 CO 0.01 0.57 -1.82 0.49 0.02 0.00 0.00 177.57 176.83 1aer n PHE 452 N -3.96 0.00 -0.08 1.57 3.72 -0.77 -4.65 117.46 113.29 1aer n PHE 452 Ca -0.04 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.31 1aer n PHE 452 Cb 0.62 -0.50 -0.16 0.00 -0.94 0.00 0.00 39.48 38.50 1aer n PHE 452 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aer n GLY 453 N 1.83 -0.96 0.00 1.37 0.00 0.33 -5.04 105.19 102.72 1aer n GLY 453 Ca -0.12 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1aer n GLY 453 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aer n GLY 454 N 1.71 2.54 3.62 -0.02 0.00 -0.39 -4.95 105.19 107.70 1aer n GLY 454 Ca -0.27 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.48 1aer n GLY 454 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aer s VAL 455 N -2.55 3.84 -0.03 1.61 1.01 -1.26 -4.40 120.40 118.61 1aer s VAL 455 Ca 0.00 0.91 0.03 0.00 0.00 0.00 0.00 61.98 62.92 1aer s VAL 455 Cb 0.00 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1aer s VAL 455 CO 0.00 -0.46 -0.11 -0.13 0.00 0.00 0.00 175.10 174.40 1aer s ARG 456 N 4.72 1.15 0.63 2.72 0.52 -1.26 -4.08 118.95 123.34 1aer s ARG 456 Ca 0.66 -0.38 -0.10 0.00 -0.52 0.00 0.00 55.73 55.39 1aer s ARG 456 Cb -0.20 -1.05 -0.02 0.00 0.52 0.00 0.00 34.95 34.21 1aer s ARG 456 CO 0.29 0.15 1.01 0.00 0.02 0.00 0.00 175.30 176.77 1aer s ALA 457 N 0.13 3.09 0.35 2.13 0.00 -1.26 -5.08 121.76 121.13 1aer s ALA 457 Ca -0.03 -0.30 -0.14 0.00 0.00 0.00 0.00 51.96 51.49 1aer s ALA 457 Cb -0.09 -2.94 -0.08 0.00 0.00 0.00 0.00 23.12 20.00 1aer s ALA 457 CO 0.01 -0.81 0.75 1.03 0.00 0.00 0.00 175.76 176.74 1aer s ARG 458 N -5.16 3.95 0.00 0.00 0.52 -1.26 -4.95 118.95 112.04 1aer s ARG 458 Ca 0.55 0.63 0.14 0.00 -0.52 0.00 0.00 55.73 56.54 1aer s ARG 458 Cb -0.11 -2.41 0.66 0.00 0.52 0.00 0.00 34.95 33.61 1aer s ARG 458 CO 0.51 0.09 1.45 0.45 0.02 0.00 0.00 175.30 177.83 1aer n SER 459 N -0.64 0.81 -4.87 0.23 2.88 -1.26 -4.83 113.62 105.94 1aer n SER 459 Ca 0.03 -1.71 -0.21 0.00 -1.33 0.00 0.00 58.87 55.65 1aer n SER 459 Cb 0.53 -0.07 -0.03 0.00 -0.75 0.00 0.00 64.21 63.89 1aer n SER 459 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1aer s GLN 460 N -1.86 2.95 -1.31 -1.46 0.74 -1.26 -4.65 119.66 112.81 1aer s GLN 460 Ca 0.23 -1.09 -0.11 0.00 0.05 0.00 0.00 55.36 54.44 1aer s GLN 460 Cb 0.12 -2.61 0.00 0.00 1.10 0.00 0.00 33.01 31.62 1aer s GLN 460 CO 0.18 0.27 0.53 -0.25 -0.55 0.00 0.00 175.29 175.47 1aer n ASP 461 N -1.32 -2.24 0.26 6.67 8.00 -1.26 -4.88 116.55 121.78 1aer n ASP 461 Ca -0.05 -1.07 0.14 0.00 0.71 0.00 0.00 54.79 54.51 1aer n ASP 461 Cb 0.58 -2.84 0.69 0.00 -0.02 0.00 0.00 41.12 39.53 1aer n ASP 461 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1aer h LEU 462 N -1.96 0.00 -2.82 0.64 -0.00 -1.89 -2.72 115.31 106.56 1aer h LEU 462 Ca -0.66 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.22 1aer h LEU 462 Cb 1.38 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.04 1aer h LEU 462 CO 0.57 0.11 0.00 0.47 -0.00 0.00 0.00 178.44 179.60 1aer n ASP 463 N -3.39 3.27 -4.67 -0.43 8.00 -1.26 -4.96 116.55 113.10 1aer n ASP 463 Ca -0.01 -2.00 -0.42 0.00 0.71 0.00 0.00 54.79 53.08 1aer n ASP 463 Cb 0.29 -0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 1aer n ASP 463 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aer s ALA 464 N -1.00 3.66 0.21 2.24 0.00 -1.03 -4.85 121.76 120.99 1aer s ALA 464 Ca 0.32 1.39 -0.14 0.00 0.00 0.00 0.00 51.96 53.53 1aer s ALA 464 Cb 0.17 -3.81 0.25 0.00 0.00 0.00 0.00 23.12 19.72 1aer s ALA 464 CO 0.22 -1.43 1.62 0.82 0.00 0.00 0.00 175.76 176.99 1aer h ILE 465 N 5.23 0.32 -0.47 0.00 1.08 -1.92 -3.06 117.51 118.68 1aer h ILE 465 Ca -0.48 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.99 1aer h ILE 465 Cb 1.23 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 35.30 1aer h ILE 465 CO 0.94 0.00 0.00 0.79 -0.69 0.00 0.00 178.15 179.19 1aer n TRP 466 N -5.45 1.33 -2.01 1.37 7.02 -1.26 -4.04 117.44 114.40 1aer n TRP 466 Ca 0.08 -0.49 -0.41 0.00 -1.02 0.00 0.00 57.50 55.65 1aer n TRP 466 Cb 0.35 -0.29 -0.02 0.00 -2.42 0.00 0.00 31.31 28.93 1aer n TRP 466 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 1aer s ARG 467 N -2.00 4.27 0.00 -0.99 1.70 -1.16 -4.95 118.95 115.82 1aer s ARG 467 Ca 0.40 2.32 0.00 0.00 -0.47 0.00 0.00 55.73 57.99 1aer s ARG 467 Cb 0.28 -3.07 0.00 0.00 -0.57 0.00 0.00 34.95 31.59 1aer s ARG 467 CO 0.16 -0.37 0.00 0.41 -1.08 0.00 0.00 175.30 174.42 1aer n GLY 468 N 1.49 -1.50 3.45 3.88 0.00 -1.26 -4.50 105.19 106.75 1aer n GLY 468 Ca 0.04 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 1aer n GLY 468 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1aer s PHE 469 N -2.15 3.12 -0.04 1.61 5.36 -0.38 -4.84 117.98 120.66 1aer s PHE 469 Ca 0.00 -0.46 -0.24 0.00 -0.96 0.00 0.00 56.93 55.27 1aer s PHE 469 Cb 0.00 -2.28 -0.04 0.00 -0.34 0.00 0.00 43.02 40.36 1aer s PHE 469 CO 0.00 -0.38 0.73 0.71 -1.46 0.00 0.00 175.22 174.82 1aer s TYR 470 N 1.62 3.62 0.19 10.12 1.51 -1.26 -0.70 117.35 132.44 1aer s TYR 470 Ca 0.06 1.33 -0.02 0.00 -1.01 0.00 0.00 57.07 57.43 1aer s TYR 470 Cb -0.16 -2.82 -0.04 0.00 -0.11 0.00 0.00 41.96 38.83 1aer s TYR 470 CO 0.05 0.13 0.13 0.96 -1.11 0.00 0.00 175.55 175.71 1aer s ILE 471 N 0.60 0.02 -0.05 2.71 -4.36 0.82 -4.73 121.20 116.21 1aer s ILE 471 Ca 0.39 -1.94 -0.04 0.00 -0.26 0.00 0.00 60.65 58.79 1aer s ILE 471 Cb -0.19 -2.37 0.01 0.00 1.25 0.00 0.00 42.46 41.17 1aer s ILE 471 CO 0.20 -0.11 0.13 0.00 0.24 0.00 0.00 174.94 175.40 1aer s ALA 472 N -4.12 -0.31 0.31 2.27 0.00 0.53 -0.75 121.76 119.68 1aer s ALA 472 Ca 0.34 0.35 -0.00 0.00 0.00 0.00 0.00 51.96 52.65 1aer s ALA 472 Cb 0.07 -0.20 0.48 0.00 0.00 0.00 0.00 23.12 23.47 1aer s ALA 472 CO 0.09 -0.06 1.92 0.78 0.00 0.00 0.00 175.76 178.49 1aer h GLY 473 N 5.93 0.95 -5.84 0.00 0.00 -1.78 0.15 103.07 102.48 1aer h GLY 473 Ca -0.25 -0.44 -0.59 0.00 0.00 0.00 0.00 47.33 46.05 1aer h GLY 473 CO 0.43 0.42 0.63 -0.35 0.00 0.00 0.00 176.54 177.67 1aer s ASP 474 N -6.48 6.84 0.52 0.19 -1.08 -1.26 -4.56 116.67 110.84 1aer s ASP 474 Ca -0.10 0.94 0.30 0.00 -0.52 0.00 0.00 52.55 53.17 1aer s ASP 474 Cb 0.17 -2.48 1.36 0.00 -1.46 0.00 0.00 42.92 40.51 1aer s ASP 474 CO 0.79 -0.72 2.00 1.55 0.52 0.00 0.00 175.17 179.31 1aer h PRO 475 N 7.98 0.00 -0.72 4.34 0.13 -1.97 -2.03 132.00 139.72 1aer h PRO 475 Ca -0.22 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1aer h PRO 475 Cb 1.08 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 1aer h PRO 475 CO 0.95 0.10 0.45 0.00 -0.23 0.00 0.00 178.00 179.27 1aer h ALA 476 N 1.90 0.92 0.81 -0.56 0.00 -1.94 0.77 119.26 121.16 1aer h ALA 476 Ca -0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1aer h ALA 476 Cb 0.48 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1aer h ALA 476 CO 0.01 0.38 -0.39 1.25 0.00 0.00 0.00 179.25 180.50 1aer h LEU 477 N 0.99 -0.92 -1.64 0.00 5.85 -1.75 -3.02 115.31 114.82 1aer h LEU 477 Ca 0.26 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.06 1aer h LEU 477 Cb -0.05 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1aer h LEU 477 CO -0.05 -0.60 0.34 0.00 -0.34 0.00 0.00 178.44 177.79 1aer h ALA 478 N -1.11 1.89 -0.14 1.25 0.00 -1.27 0.21 119.26 120.10 1aer h ALA 478 Ca -0.11 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1aer h ALA 478 Cb 0.85 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1aer h ALA 478 CO 0.18 0.02 0.25 -0.92 0.00 0.00 0.00 179.25 178.79 1aer h TYR 479 N 0.45 0.00 0.00 0.00 3.20 0.70 0.11 116.97 121.43 1aer h TYR 479 Ca 0.22 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1aer h TYR 479 Cb 0.28 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.55 1aer h TYR 479 CO -0.00 0.00 0.14 0.78 -1.64 0.00 0.00 178.16 177.44 1aer h GLY 480 N 0.00 0.00 -5.24 1.82 0.00 -0.52 -3.30 103.07 95.83 1aer h GLY 480 Ca 0.07 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.72 1aer h GLY 480 CO -0.00 0.00 -0.74 -0.19 0.00 0.00 0.00 176.54 175.61 1aer s TYR 481 N -3.77 2.82 0.00 5.60 1.51 0.38 -4.63 117.35 119.26 1aer s TYR 481 Ca -0.03 -0.26 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 1aer s TYR 481 Cb 0.08 -1.74 0.00 0.00 -0.11 0.00 0.00 41.96 40.19 1aer s TYR 481 CO 0.25 0.09 0.00 0.00 -1.11 0.00 0.00 175.55 174.78 1aer n ALA 482 N 2.74 0.00 -1.66 3.71 0.00 -1.26 -3.68 120.51 120.35 1aer n ALA 482 Ca -0.18 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 52.75 1aer n ALA 482 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 1aer n ALA 482 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1aer n GLN 483 N 0.00 1.58 -0.04 0.00 -0.06 -1.17 -4.16 117.38 113.53 1aer n GLN 483 Ca 0.00 0.57 0.03 0.00 -2.00 0.00 0.00 57.00 55.60 1aer n GLN 483 Cb 0.00 -2.30 -0.15 0.00 -4.06 0.00 0.00 30.24 23.73 1aer n GLN 483 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 1aer n ASP 484 N 4.29 0.44 -4.43 1.69 3.85 -1.26 -4.74 116.55 116.39 1aer n ASP 484 Ca 0.21 0.00 -0.31 0.00 -0.71 0.00 0.00 54.79 53.98 1aer n ASP 484 Cb 0.22 1.56 -0.06 0.00 -1.35 0.00 0.00 41.12 41.48 1aer n ASP 484 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1aer n GLN 485 N -2.38 1.59 0.12 0.11 0.00 -1.26 -4.81 117.38 110.75 1aer n GLN 485 Ca -0.13 -2.38 0.07 0.00 0.00 0.00 0.00 57.00 54.56 1aer n GLN 485 Cb 0.74 -3.60 0.38 0.00 0.00 0.00 0.00 30.24 27.76 1aer n GLN 485 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1aer n GLU 486 N 8.08 0.09 -0.03 2.61 1.02 -1.26 -3.56 120.64 127.59 1aer n GLU 486 Ca 0.46 0.57 -0.18 0.00 -0.02 0.00 0.00 57.16 57.99 1aer n GLU 486 Cb 0.46 -1.87 -0.13 0.00 -0.02 0.00 0.00 31.44 29.87 1aer n GLU 486 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1aer h PRO 487 N 0.00 0.13 0.00 3.49 0.11 -1.85 -2.48 132.00 131.40 1aer h PRO 487 Ca 0.00 -0.22 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1aer h PRO 487 Cb 0.14 0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1aer h PRO 487 CO 0.00 1.10 0.00 -0.25 -0.21 0.00 0.00 178.00 178.64 1aer n ASP 488 N -4.34 0.00 0.00 -2.05 8.00 -1.23 -1.95 116.55 114.99 1aer n ASP 488 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1aer n ASP 488 Cb 0.67 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 1aer n ASP 488 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1aer n ARG 490 N -0.00 0.00 -0.77 -1.24 1.85 -1.26 -4.69 116.66 110.54 1aer n ARG 490 Ca 0.00 0.32 0.00 0.00 -1.00 0.00 0.00 57.85 57.17 1aer n ARG 490 Cb 0.00 -2.88 0.00 0.00 -1.05 0.00 0.00 32.46 28.53 1aer n ARG 490 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1aer n GLY 491 N -2.75 0.38 3.83 2.89 0.00 -0.82 -4.99 105.19 103.73 1aer n GLY 491 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1aer n GLY 491 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aer s ARG 492 N -0.69 3.87 -0.03 1.61 0.52 -0.93 -4.75 118.95 118.54 1aer s ARG 492 Ca 0.00 1.08 -0.01 0.00 -0.52 0.00 0.00 55.73 56.28 1aer s ARG 492 Cb 0.00 -2.12 0.03 0.00 0.52 0.00 0.00 34.95 33.38 1aer s ARG 492 CO 0.00 -0.34 0.04 0.42 0.02 0.00 0.00 175.30 175.43 1aer s ILE 493 N -2.44 -0.02 0.47 1.52 -1.09 -1.26 -3.56 121.20 114.82 1aer s ILE 493 Ca 0.61 0.30 -0.01 0.00 -2.23 0.00 0.00 60.65 59.32 1aer s ILE 493 Cb -0.12 -0.17 -0.00 0.00 -1.58 0.00 0.00 42.46 40.59 1aer s ILE 493 CO 0.28 0.15 0.70 -0.13 -1.23 0.00 0.00 174.94 174.71 1aer s ARG 494 N 1.66 3.07 0.23 2.79 0.52 -1.26 -5.01 118.95 120.96 1aer s ARG 494 Ca -0.01 -0.40 -0.19 0.00 -0.52 0.00 0.00 55.73 54.60 1aer s ARG 494 Cb -0.13 -2.52 -0.08 0.00 0.52 0.00 0.00 34.95 32.74 1aer s ARG 494 CO -0.03 -0.31 0.73 0.54 0.02 0.00 0.00 175.30 176.24 1aer s ASN 495 N -4.22 7.02 0.00 0.23 4.22 -1.26 -3.06 114.94 117.87 1aer s ASN 495 Ca 0.49 1.40 0.00 0.00 -2.14 0.00 0.00 52.86 52.61 1aer s ASN 495 Cb -0.10 -2.41 0.00 0.00 1.28 0.00 0.00 41.25 40.02 1aer s ASN 495 CO 0.39 0.00 0.00 0.61 -2.04 0.00 0.00 177.10 176.06 1aer n GLY 496 N 0.59 2.64 3.11 0.45 0.00 -1.26 -4.56 105.19 106.16 1aer n GLY 496 Ca -0.02 -1.87 -0.18 0.00 0.00 0.00 0.00 46.02 43.96 1aer n GLY 496 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aer s ALA 497 N -2.77 0.93 -0.14 4.61 0.00 0.29 -4.70 121.76 119.99 1aer s ALA 497 Ca 0.00 -0.76 -0.10 0.00 0.00 0.00 0.00 51.96 51.09 1aer s ALA 497 Cb 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 1aer s ALA 497 CO 0.00 0.14 0.20 -0.51 0.00 0.00 0.00 175.76 175.59 1aer s LEU 498 N -1.21 4.32 0.14 0.00 1.43 -1.26 -0.33 118.68 121.77 1aer s LEU 498 Ca -0.02 0.46 0.07 0.00 -1.03 0.00 0.00 54.13 53.62 1aer s LEU 498 Cb -0.08 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 1aer s LEU 498 CO 0.01 0.27 -0.16 -0.76 0.23 0.00 0.00 176.35 175.94 1aer s LEU 499 N -0.34 2.42 -0.15 1.79 1.43 -0.41 -2.39 118.68 121.02 1aer s LEU 499 Ca 0.14 -0.84 -0.06 0.00 -1.03 0.00 0.00 54.13 52.35 1aer s LEU 499 Cb -0.12 -0.70 -0.04 0.00 0.03 0.00 0.00 46.19 45.36 1aer s LEU 499 CO 0.03 -0.08 0.05 -0.13 0.23 0.00 0.00 176.35 176.45 1aer s ARG 500 N -2.73 3.70 -0.18 1.70 0.52 0.50 -1.19 118.95 121.28 1aer s ARG 500 Ca 0.12 -0.34 -0.02 0.00 -0.52 0.00 0.00 55.73 54.98 1aer s ARG 500 Cb -0.05 -3.11 -0.01 0.00 0.52 0.00 0.00 34.95 32.30 1aer s ARG 500 CO 0.05 0.42 -0.10 0.08 0.02 0.00 0.00 175.30 175.77 1aer s VAL 501 N -0.05 3.12 0.05 3.52 1.01 -0.46 -2.10 120.40 125.50 1aer s VAL 501 Ca 0.06 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.51 1aer s VAL 501 Cb -0.12 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1aer s VAL 501 CO 0.01 0.48 -0.18 -0.31 0.00 0.00 0.00 175.10 175.11 1aer s TYR 502 N 0.94 2.57 0.13 5.22 1.51 -0.31 -1.30 117.35 126.11 1aer s TYR 502 Ca -0.02 -0.25 0.04 0.00 -1.01 0.00 0.00 57.07 55.83 1aer s TYR 502 Cb -0.15 -1.45 -0.04 0.00 -0.11 0.00 0.00 41.96 40.21 1aer s TYR 502 CO -0.00 0.28 -0.09 0.14 -1.11 0.00 0.00 175.55 174.77 1aer s VAL 503 N -0.96 1.01 0.36 0.71 -7.23 0.97 -1.85 120.40 113.41 1aer s VAL 503 Ca 0.15 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.04 1aer s VAL 503 Cb -0.11 -1.77 -0.11 0.00 0.56 0.00 0.00 36.38 34.96 1aer s VAL 503 CO 0.06 -0.78 1.51 -2.84 -0.31 0.00 0.00 175.10 172.75 1aer s PRO 504 N -3.72 4.10 0.60 4.82 0.02 -1.26 0.12 135.00 139.69 1aer s PRO 504 Ca 0.14 2.59 0.34 0.00 0.02 0.00 0.00 61.00 64.09 1aer s PRO 504 Cb 0.03 -2.97 1.94 0.00 0.02 0.00 0.00 34.50 33.52 1aer s PRO 504 CO -0.01 -0.56 2.26 -0.09 -0.33 0.00 0.00 177.00 178.26 1aer h ARG 505 N 3.29 0.00 0.00 5.54 2.43 -0.62 -0.89 114.38 124.14 1aer h ARG 505 Ca -0.50 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1aer h ARG 505 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1aer h ARG 505 CO 0.67 0.02 0.00 -1.13 -1.51 0.00 0.00 179.97 178.01 1aer n SER 506 N -3.57 0.05 0.04 -3.80 3.41 -1.26 -2.88 113.62 105.61 1aer n SER 506 Ca -0.03 0.51 0.12 0.00 -0.26 0.00 0.00 58.87 59.21 1aer n SER 506 Cb 0.11 -0.52 0.30 0.00 -0.26 0.00 0.00 64.21 63.84 1aer n SER 506 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1aer n SER 507 N -1.55 0.54 -0.26 4.04 3.41 -0.34 -4.26 113.62 115.20 1aer n SER 507 Ca 0.07 0.15 0.31 0.00 -0.26 0.00 0.00 58.87 59.14 1aer n SER 507 Cb 0.34 -0.07 0.71 0.00 -0.26 0.00 0.00 64.21 64.94 1aer n SER 507 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1aer h LEU 508 N 0.00 0.05 0.00 1.04 3.38 -1.65 -0.58 115.31 117.55 1aer h LEU 508 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1aer h LEU 508 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1aer h LEU 508 CO 0.00 0.01 0.00 -0.81 0.09 0.00 0.00 178.44 177.73 1aer n PRO 509 N -4.26 0.57 -0.27 1.13 -0.04 -1.26 -2.19 135.00 128.68 1aer n PRO 509 Ca 0.23 0.03 0.12 0.00 -0.04 0.00 0.00 63.50 63.83 1aer n PRO 509 Cb 1.09 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 33.31 1aer n PRO 509 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1aer n GLY 510 N 0.41 2.07 3.58 0.55 0.00 -0.23 -4.88 105.19 106.69 1aer n GLY 510 Ca 0.14 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 1aer n GLY 510 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aer s PHE 511 N -1.27 3.22 0.30 1.61 0.40 -0.93 -2.27 117.98 119.04 1aer s PHE 511 Ca 0.43 0.24 0.10 0.00 -0.60 0.00 0.00 56.93 57.10 1aer s PHE 511 Cb 0.24 -2.67 -0.05 0.00 0.51 0.00 0.00 43.02 41.05 1aer s PHE 511 CO 0.32 -0.35 -0.01 0.71 0.70 0.00 0.00 175.22 176.59 1aer s TYR 512 N 2.12 2.59 -0.03 0.36 2.02 -0.55 -4.74 117.35 119.13 1aer s TYR 512 Ca 0.15 -0.32 0.03 0.00 -0.37 0.00 0.00 57.07 56.56 1aer s TYR 512 Cb -0.16 -1.30 0.00 0.00 -0.40 0.00 0.00 41.96 40.10 1aer s TYR 512 CO 0.11 0.56 -0.12 0.50 -1.57 0.00 0.00 175.55 175.04 1aer s ARG 513 N -3.68 1.22 0.05 -0.62 6.06 -1.26 0.11 118.95 120.84 1aer s ARG 513 Ca 0.33 -0.41 0.02 0.00 -2.50 0.00 0.00 55.73 53.16 1aer s ARG 513 Cb -0.04 -1.11 -0.03 0.00 0.06 0.00 0.00 34.95 33.83 1aer s ARG 513 CO 0.19 0.17 -0.07 -0.08 -2.50 0.00 0.00 175.30 173.01 1aer s THR 514 N 0.10 0.54 -0.79 4.11 -1.32 0.23 -4.89 115.64 113.61 1aer s THR 514 Ca -0.03 -1.31 0.25 0.00 -1.21 0.00 0.00 61.69 59.39 1aer s THR 514 Cb -0.09 -0.89 0.03 0.00 -1.51 0.00 0.00 72.50 70.04 1aer s THR 514 CO 0.01 -0.53 1.36 -1.54 -2.21 0.00 0.00 174.62 171.71 1aer n SER 515 N 1.05 0.59 -4.73 8.08 3.41 -1.26 -4.07 113.62 116.68 1aer n SER 515 Ca -0.20 -0.02 -0.30 0.00 -0.26 0.00 0.00 58.87 58.09 1aer n SER 515 Cb 0.56 0.20 0.12 0.00 -0.26 0.00 0.00 64.21 64.84 1aer n SER 515 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1aer s LEU 516 N -3.69 2.63 -0.17 1.04 1.43 -1.26 -4.56 118.68 114.10 1aer s LEU 516 Ca 0.08 1.69 -0.21 0.00 -1.03 0.00 0.00 54.13 54.67 1aer s LEU 516 Cb 0.15 -4.23 -0.03 0.00 0.03 0.00 0.00 46.19 42.11 1aer s LEU 516 CO 0.71 -2.41 0.62 -0.89 0.23 0.00 0.00 176.35 174.61 1aer s THR 517 N -2.89 5.05 0.67 5.49 2.01 -1.26 -3.72 115.64 120.98 1aer s THR 517 Ca 0.63 1.19 -0.17 0.00 0.31 0.00 0.00 61.69 63.64 1aer s THR 517 Cb -0.18 -3.94 0.01 0.00 0.01 0.00 0.00 72.50 68.40 1aer s THR 517 CO 0.57 0.16 1.23 -0.76 -0.69 0.00 0.00 174.62 175.13 1aer s LEU 518 N 1.60 3.47 -1.54 4.42 1.02 -1.19 -3.41 118.68 123.05 1aer s LEU 518 Ca 0.29 2.44 -0.03 0.00 0.02 0.00 0.00 54.13 56.85 1aer s LEU 518 Cb -0.16 -4.60 0.01 0.00 0.02 0.00 0.00 46.19 41.46 1aer s LEU 518 CO 0.11 -2.03 0.34 0.00 0.02 0.00 0.00 176.35 174.80 1aer n ALA 519 N -2.22 -0.86 -2.43 4.21 0.00 -1.26 -4.97 120.51 112.99 1aer n ALA 519 Ca 0.14 0.21 -0.27 0.00 0.00 0.00 0.00 53.44 53.52 1aer n ALA 519 Cb 0.49 -2.97 -0.15 0.00 0.00 0.00 0.00 19.45 16.82 1aer n ALA 519 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aer s ALA 520 N -3.04 1.80 0.25 0.00 0.00 -1.22 -5.05 121.76 114.49 1aer s ALA 520 Ca 0.19 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 51.11 1aer s ALA 520 Cb -0.09 -0.42 0.47 0.00 0.00 0.00 0.00 23.12 23.08 1aer s ALA 520 CO 0.23 0.43 1.67 -1.35 0.00 0.00 0.00 175.76 176.74 1aer h PRO 521 N 5.34 0.21 -0.69 0.00 0.11 -1.93 -2.25 132.00 132.79 1aer h PRO 521 Ca -0.41 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 1aer h PRO 521 Cb 1.14 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1aer h PRO 521 CO 0.46 0.14 0.39 0.93 -0.21 0.00 0.00 178.00 179.71 1aer h GLU 522 N 0.22 0.94 0.00 1.05 3.07 -1.97 -2.03 114.58 115.86 1aer h GLU 522 Ca 0.42 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 1aer h GLU 522 Cb 0.73 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1aer h GLU 522 CO -0.55 0.68 0.00 0.00 -1.40 0.00 0.00 179.01 177.74 1aer h ALA 523 N 1.48 1.00 0.73 3.43 0.00 -1.62 -3.34 119.26 120.93 1aer h ALA 523 Ca 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1aer h ALA 523 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1aer h ALA 523 CO -0.04 0.00 -0.47 0.00 0.00 0.00 0.00 179.25 178.73 1aer h ALA 524 N 2.15 -1.20 -0.18 0.00 0.00 -1.41 -1.85 119.26 116.77 1aer h ALA 524 Ca 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1aer h ALA 524 Cb 0.38 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1aer h ALA 524 CO 0.00 -1.19 0.10 0.78 0.00 0.00 0.00 179.25 178.94 1aer h GLY 525 N -1.14 0.26 0.70 0.00 0.00 -1.77 -2.08 103.07 99.05 1aer h GLY 525 Ca -0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1aer h GLY 525 CO 0.08 0.10 -0.07 -2.09 0.00 0.00 0.00 176.54 174.56 1aer h GLU 526 N 0.25 -0.18 -0.79 4.80 4.57 -1.71 -2.11 114.58 119.41 1aer h GLU 526 Ca 0.07 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1aer h GLU 526 Cb 0.01 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 1aer h GLU 526 CO -0.01 0.12 0.47 0.28 -1.18 0.00 0.00 179.01 178.69 1aer h VAL 527 N -0.49 1.22 0.00 0.32 2.07 -1.11 -0.02 116.25 118.24 1aer h VAL 527 Ca -0.02 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 1aer h VAL 527 Cb 0.39 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1aer h VAL 527 CO 0.03 0.23 -0.09 -0.33 0.02 0.00 0.00 177.57 177.43 1aer h GLU 528 N 1.08 0.00 0.00 1.57 5.08 -1.34 0.12 114.58 121.09 1aer h GLU 528 Ca 0.28 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.43 1aer h GLU 528 Cb -0.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1aer h GLU 528 CO -0.05 0.09 -1.08 -0.09 -1.00 0.00 0.00 179.01 176.88 1aer h ARG 529 N 0.00 0.00 0.06 2.33 2.43 -0.37 -2.93 114.38 115.90 1aer h ARG 529 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1aer h ARG 529 Cb 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1aer h ARG 529 CO 0.01 0.86 -0.03 -0.07 -1.51 0.00 0.00 179.97 179.23 1aer h LEU 530 N 0.00 -0.07 -2.06 3.80 3.38 0.54 -3.34 115.31 117.56 1aer h LEU 530 Ca -0.06 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.34 1aer h LEU 530 Cb 1.77 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.54 1aer h LEU 530 CO 0.11 0.58 -0.06 0.40 0.09 0.00 0.00 178.44 179.56 1aer h ILE 531 N -0.80 0.31 0.00 1.22 5.03 -0.97 -3.48 117.51 118.82 1aer h ILE 531 Ca -0.01 -0.41 0.00 0.00 -0.12 0.00 0.00 64.86 64.32 1aer h ILE 531 Cb 0.62 1.30 0.00 0.00 -3.03 0.00 0.00 36.82 35.72 1aer h ILE 531 CO 0.01 0.06 0.00 0.61 -0.68 0.00 0.00 178.15 178.16 1aer n GLY 532 N -0.61 0.60 3.66 5.37 0.00 -1.11 -5.03 105.19 108.07 1aer n GLY 532 Ca -0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 1aer n GLY 532 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1aer s HIS 533 N -2.00 -0.21 0.64 1.61 -3.43 -1.22 -5.07 115.29 105.61 1aer s HIS 533 Ca 0.00 -0.03 -0.17 0.00 -0.80 0.00 0.00 55.06 54.05 1aer s HIS 533 Cb 0.00 0.60 -0.01 0.00 -1.43 0.00 0.00 32.58 31.74 1aer s HIS 533 CO 0.00 -0.73 1.19 -2.14 -2.00 0.00 0.00 174.74 171.07 1aer s PRO 534 N -3.23 2.75 0.79 -0.38 0.02 -1.26 -4.62 135.00 129.07 1aer s PRO 534 Ca 0.10 1.74 -0.11 0.00 0.02 0.00 0.00 61.00 62.75 1aer s PRO 534 Cb -0.01 -1.91 0.07 0.00 0.02 0.00 0.00 34.50 32.67 1aer s PRO 534 CO -0.02 -1.36 1.12 -0.51 -0.33 0.00 0.00 177.00 175.89 1aer s LEU 535 N -4.45 3.05 0.80 -5.54 1.43 -1.26 -4.70 118.68 108.01 1aer s LEU 535 Ca 0.75 1.98 -0.12 0.00 -1.03 0.00 0.00 54.13 55.71 1aer s LEU 535 Cb -0.29 -4.54 0.07 0.00 0.03 0.00 0.00 46.19 41.46 1aer s LEU 535 CO 0.37 -2.29 1.12 -2.16 0.23 0.00 0.00 176.35 173.63 1aer s PRO 536 N -4.66 2.07 0.56 1.29 0.04 -1.26 -4.95 135.00 128.09 1aer s PRO 536 Ca 0.64 0.41 -0.21 0.00 0.04 0.00 0.00 61.00 61.88 1aer s PRO 536 Cb -0.20 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 1aer s PRO 536 CO 0.54 -1.58 1.22 1.28 0.04 0.00 0.00 177.00 178.49 1aer n LEU 537 N -3.37 4.83 0.00 -3.56 4.32 -1.26 -5.00 117.00 112.97 1aer n LEU 537 Ca 0.07 0.92 0.00 0.00 -0.02 0.00 0.00 56.01 56.98 1aer n LEU 537 Cb 0.58 -1.50 0.00 0.00 -1.62 0.00 0.00 43.42 40.88 1aer n LEU 537 CO 0.57 -1.05 0.00 0.54 -1.22 0.00 0.00 177.39 176.23 1aer n ARG 538 N -1.00 0.00 -0.82 3.23 1.74 -1.26 -4.31 116.66 114.23 1aer n ARG 538 Ca 0.12 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.09 1aer n ARG 538 Cb 0.45 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.88 1aer n ARG 538 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1aer n LEU 539 N 0.00 5.93 -4.44 0.55 4.77 -1.26 -3.53 117.00 119.01 1aer n LEU 539 Ca 0.00 -3.04 -0.22 0.00 -0.03 0.00 0.00 56.01 52.72 1aer n LEU 539 Cb 0.00 -1.14 -0.09 0.00 -2.33 0.00 0.00 43.42 39.86 1aer n LEU 539 CO 0.00 1.25 -0.22 -1.81 -1.33 0.00 0.00 177.39 175.29 1aer s ASP 540 N 1.07 2.28 0.03 -1.43 1.11 -1.26 -4.77 116.67 113.68 1aer s ASP 540 Ca 0.26 -1.56 -0.07 0.00 0.18 0.00 0.00 52.55 51.36 1aer s ASP 540 Cb 0.18 0.32 -0.00 0.00 1.07 0.00 0.00 42.92 44.48 1aer s ASP 540 CO -0.02 -0.83 0.14 0.00 1.18 0.00 0.00 175.17 175.63 1aer s ALA 541 N -3.36 -0.23 -0.02 5.23 0.00 -0.96 0.08 121.76 122.49 1aer s ALA 541 Ca 0.31 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 51.95 1aer s ALA 541 Cb 0.05 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.38 1aer s ALA 541 CO 0.15 -0.29 -0.08 -1.50 0.00 0.00 0.00 175.76 174.05 1aer s ILE 542 N -2.18 0.66 -0.11 0.00 1.10 -0.68 -1.48 121.20 118.50 1aer s ILE 542 Ca -0.08 -0.30 0.03 0.00 -0.51 0.00 0.00 60.65 59.78 1aer s ILE 542 Cb -0.03 -0.59 -0.00 0.00 0.15 0.00 0.00 42.46 41.98 1aer s ILE 542 CO -0.02 0.21 -0.20 -0.89 -2.11 0.00 0.00 174.94 171.92 1aer s THR 543 N 0.15 2.39 0.17 4.00 2.01 0.30 -2.46 115.64 122.21 1aer s THR 543 Ca -0.02 -0.90 -0.24 0.00 0.31 0.00 0.00 61.69 60.84 1aer s THR 543 Cb -0.07 -1.95 0.06 0.00 0.01 0.00 0.00 72.50 70.55 1aer s THR 543 CO 0.00 0.55 0.90 -0.83 -0.69 0.00 0.00 174.62 174.55 1aer s GLY 544 N 0.37 -0.23 0.82 4.40 0.00 -0.95 0.74 107.32 112.47 1aer s GLY 544 Ca -0.16 0.10 -0.11 0.00 0.00 0.00 0.00 44.72 44.55 1aer s GLY 544 CO 0.07 0.01 1.14 2.56 0.00 0.00 0.00 173.10 176.88 1aer s PRO 545 N -3.42 1.76 0.00 2.90 0.04 -1.24 -1.58 135.00 133.46 1aer s PRO 545 Ca 0.11 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1aer s PRO 545 Cb -0.02 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1aer s PRO 545 CO 0.02 -2.06 0.00 0.54 0.04 0.00 0.00 177.00 175.54 1aer n ARG 551 N -3.59 0.00 -2.77 4.56 1.74 -1.26 -3.19 116.66 112.14 1aer n ARG 551 Ca 0.11 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.78 1aer n ARG 551 Cb 0.52 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.92 1aer n ARG 551 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1aer s LEU 552 N 0.00 4.39 0.15 0.55 1.43 -1.26 -5.07 118.68 118.86 1aer s LEU 552 Ca 0.00 1.60 0.07 0.00 -1.03 0.00 0.00 54.13 54.78 1aer s LEU 552 Cb 0.00 -3.49 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 1aer s LEU 552 CO 0.00 -0.20 -0.16 -1.83 0.23 0.00 0.00 176.35 174.39 1aer s GLU 553 N 0.78 1.15 -0.01 1.70 -1.05 -0.61 -4.31 118.70 116.34 1aer s GLU 553 Ca 0.49 -1.34 0.06 0.00 -0.15 0.00 0.00 54.97 54.03 1aer s GLU 553 Cb -0.21 -1.10 -0.02 0.00 -0.44 0.00 0.00 34.13 32.37 1aer s GLU 553 CO 0.27 0.21 -0.21 0.99 0.95 0.00 0.00 175.26 177.47 1aer s THR 554 N -2.17 1.65 -0.07 1.83 2.01 0.07 -2.25 115.64 116.70 1aer s THR 554 Ca 0.13 -0.91 0.05 0.00 0.31 0.00 0.00 61.69 61.27 1aer s THR 554 Cb -0.05 -1.37 -0.01 0.00 0.01 0.00 0.00 72.50 71.09 1aer s THR 554 CO 0.05 0.45 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.56 1aer s ILE 555 N -0.51 1.98 -0.14 1.82 1.01 -1.03 -0.13 121.20 124.21 1aer s ILE 555 Ca 0.08 -1.01 -0.05 0.00 0.00 0.00 0.00 60.65 59.68 1aer s ILE 555 Cb -0.08 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 1aer s ILE 555 CO -0.01 0.55 0.02 -0.76 0.00 0.00 0.00 174.94 174.74 1aer s LEU 556 N 0.07 3.60 0.56 2.97 1.43 0.12 -1.69 118.68 125.75 1aer s LEU 556 Ca -0.10 0.05 -0.21 0.00 -1.03 0.00 0.00 54.13 52.84 1aer s LEU 556 Cb -0.15 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 1aer s LEU 556 CO 0.06 0.24 1.27 0.61 0.23 0.00 0.00 176.35 178.76 1aer n GLY 557 N 3.07 0.51 0.36 -3.19 0.00 0.11 -1.25 105.19 104.80 1aer n GLY 557 Ca -0.18 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 45.90 1aer n GLY 557 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1aer h TRP 558 N 1.17 1.13 -0.41 1.61 -0.00 -1.75 0.28 115.95 117.98 1aer h TRP 558 Ca -0.50 0.03 0.02 0.00 -0.00 0.00 0.00 58.89 58.44 1aer h TRP 558 Cb 1.32 -0.36 -0.02 0.00 -0.00 0.00 0.00 29.16 30.10 1aer h TRP 558 CO 0.43 0.44 0.27 -1.35 -0.00 0.00 0.00 178.44 178.24 1aer h PRO 559 N 0.98 0.47 0.05 0.49 0.11 -1.86 0.23 132.00 132.47 1aer h PRO 559 Ca 0.50 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.50 1aer h PRO 559 Cb 0.50 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 31.51 1aer h PRO 559 CO -0.27 0.31 -0.32 1.25 -0.21 0.00 0.00 178.00 178.76 1aer h LEU 560 N 0.48 0.19 -0.70 2.35 5.85 -1.31 -3.32 115.31 118.86 1aer h LEU 560 Ca 0.16 -0.96 0.13 0.00 0.84 0.00 0.00 57.88 58.05 1aer h LEU 560 Cb 0.04 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 40.92 1aer h LEU 560 CO -0.04 1.14 0.25 0.00 -0.34 0.00 0.00 178.44 179.45 1aer h ALA 561 N 0.06 0.93 0.00 1.25 0.00 -0.20 -1.67 119.26 119.64 1aer h ALA 561 Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1aer h ALA 561 Cb 1.23 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1aer h ALA 561 CO 0.06 -0.22 0.00 0.39 0.00 0.00 0.00 179.25 179.48 1aer n GLU 562 N -5.02 0.05 -0.30 0.00 1.02 0.04 -2.33 120.64 114.11 1aer n GLU 562 Ca 0.12 0.40 0.07 0.00 -0.02 0.00 0.00 57.16 57.73 1aer n GLU 562 Cb 0.37 -1.62 0.20 0.00 -0.02 0.00 0.00 31.44 30.37 1aer n GLU 562 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1aer n ARG 563 N -1.71 2.74 -2.37 3.49 1.74 -0.63 -4.73 116.66 115.19 1aer n ARG 563 Ca 0.02 -2.49 -0.25 0.00 -0.77 0.00 0.00 57.85 54.35 1aer n ARG 563 Cb 0.12 -1.58 0.05 0.00 -1.02 0.00 0.00 32.46 30.02 1aer n ARG 563 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1aer s THR 564 N -2.17 2.80 -0.20 0.55 -4.23 -0.98 -4.86 115.64 106.55 1aer s THR 564 Ca 0.33 -0.27 -0.02 0.00 -1.18 0.00 0.00 61.69 60.55 1aer s THR 564 Cb 0.25 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.94 1aer s THR 564 CO 0.10 -0.14 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.23 1aer s VAL 565 N -3.06 2.84 -0.18 2.29 1.01 -0.77 -4.88 120.40 117.64 1aer s VAL 565 Ca 0.57 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 1aer s VAL 565 Cb -0.11 -2.25 -0.00 0.00 0.00 0.00 0.00 36.38 34.02 1aer s VAL 565 CO 0.43 0.48 -0.11 -0.69 0.00 0.00 0.00 175.10 175.21 1aer s VAL 566 N 1.30 2.89 0.18 2.92 1.01 -1.26 -1.16 120.40 126.27 1aer s VAL 566 Ca 0.04 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.42 1aer s VAL 566 Cb -0.14 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 1aer s VAL 566 CO -0.06 0.48 -0.16 0.27 0.00 0.00 0.00 175.10 175.63 1aer s ILE 567 N 1.12 1.76 0.74 2.22 -4.36 -0.89 -4.64 121.20 117.15 1aer s ILE 567 Ca 0.01 -2.03 -0.15 0.00 -0.26 0.00 0.00 60.65 58.21 1aer s ILE 567 Cb -0.14 -1.91 0.04 0.00 1.25 0.00 0.00 42.46 41.70 1aer s ILE 567 CO -0.03 -0.44 1.24 -2.84 0.24 0.00 0.00 174.94 173.11 1aer s PRO 568 N -3.14 2.05 0.34 0.37 0.02 -1.26 -0.37 135.00 133.00 1aer s PRO 568 Ca 0.18 1.88 0.02 0.00 0.02 0.00 0.00 61.00 63.10 1aer s PRO 568 Cb -0.04 -1.81 -0.03 0.00 0.02 0.00 0.00 34.50 32.65 1aer s PRO 568 CO 0.07 -1.94 0.52 0.45 -0.33 0.00 0.00 177.00 175.77 1aer s SER 569 N -1.84 6.22 0.00 2.53 0.15 -1.01 -4.51 113.70 115.25 1aer s SER 569 Ca 0.77 0.32 0.23 0.00 0.70 0.00 0.00 55.95 57.97 1aer s SER 569 Cb -0.32 -1.89 0.11 0.00 -1.71 0.00 0.00 66.02 62.21 1aer s SER 569 CO 0.46 -0.31 1.14 0.00 1.20 0.00 0.00 173.24 175.73 1aer n ALA 570 N -1.74 3.99 -2.57 5.45 0.00 -1.26 -4.81 120.51 119.56 1aer n ALA 570 Ca -0.05 -0.53 -0.43 0.00 0.00 0.00 0.00 53.44 52.43 1aer n ALA 570 Cb 0.57 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 19.10 1aer n ALA 570 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1aer s ILE 571 N -2.80 4.39 0.52 0.00 1.01 -1.26 -4.76 121.20 118.29 1aer s ILE 571 Ca 0.13 1.58 -0.10 0.00 0.00 0.00 0.00 60.65 62.27 1aer s ILE 571 Cb 0.17 -4.35 -0.05 0.00 0.01 0.00 0.00 42.46 38.24 1aer s ILE 571 CO 0.71 -0.51 0.89 -2.16 0.00 0.00 0.00 174.94 173.87 1aer s PRO 572 N 3.84 3.66 0.10 2.79 0.04 -1.26 -4.70 135.00 139.46 1aer s PRO 572 Ca 0.49 0.53 -0.04 0.00 0.04 0.00 0.00 61.00 62.01 1aer s PRO 572 Cb -0.13 -2.25 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 1aer s PRO 572 CO 0.18 -0.30 0.32 0.95 0.04 0.00 0.00 177.00 178.20 1aer s THR 573 N -2.80 5.23 -0.12 1.26 -4.23 -1.26 -5.03 115.64 108.70 1aer s THR 573 Ca 0.52 -0.03 -0.03 0.00 -1.18 0.00 0.00 61.69 60.97 1aer s THR 573 Cb -0.10 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.08 1aer s THR 573 CO 0.44 0.12 0.01 -0.62 -0.54 0.00 0.00 174.62 174.02 1aer s ASP 574 N -2.32 5.24 0.03 3.99 -1.08 -1.26 -4.97 116.67 116.30 1aer s ASP 574 Ca 0.37 0.09 0.05 0.00 -0.52 0.00 0.00 52.55 52.55 1aer s ASP 574 Cb -0.13 -1.63 -0.24 0.00 -1.46 0.00 0.00 42.92 39.47 1aer s ASP 574 CO 0.24 0.31 0.95 -0.65 0.52 0.00 0.00 175.17 176.53 1aer h PRO 575 N 5.70 0.08 0.00 4.34 0.11 -1.99 -2.78 132.00 137.46 1aer h PRO 575 Ca -0.45 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.52 1aer h PRO 575 Cb 1.19 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1aer h PRO 575 CO 0.59 0.88 0.00 0.54 -0.21 0.00 0.00 178.00 179.80 1aer n ARG 576 N -3.29 0.99 0.00 1.05 3.00 -1.26 -3.96 116.66 113.19 1aer n ARG 576 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.73 1aer n ARG 576 Cb 1.01 -1.25 0.00 0.00 0.00 0.00 0.00 32.46 32.22 1aer n ARG 576 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1aer n ASN 577 N -0.75 0.00 -0.53 0.55 2.85 -1.25 -5.14 115.26 111.00 1aer n ASN 577 Ca 0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 1aer n ASN 577 Cb 0.05 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.07 1aer n ASN 577 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1aer n VAL 578 N 0.00 -0.70 -2.56 3.44 0.31 -1.05 -4.99 118.33 112.78 1aer n VAL 578 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 1aer n VAL 578 Cb 0.00 -1.41 -0.04 0.00 -0.91 0.00 0.00 33.84 31.49 1aer n VAL 578 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1aer n GLY 579 N -0.13 -5.03 0.00 2.92 0.00 -1.26 -4.99 105.19 96.70 1aer n GLY 579 Ca 0.00 1.49 0.00 0.00 0.00 0.00 0.00 46.02 47.51 1aer n GLY 579 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aer n GLY 580 N 1.44 -0.39 3.56 -0.02 0.00 -1.24 -4.90 105.19 103.64 1aer n GLY 580 Ca -0.33 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 1aer n GLY 580 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aer s ASP 581 N -4.00 3.83 0.08 1.61 1.01 -1.26 -4.62 116.67 113.31 1aer s ASP 581 Ca 0.00 -0.14 -0.31 0.00 0.71 0.00 0.00 52.55 52.81 1aer s ASP 581 Cb 0.00 -2.56 -0.07 0.00 1.01 0.00 0.00 42.92 41.30 1aer s ASP 581 CO 0.00 -4.02 1.45 -0.22 0.21 0.00 0.00 175.17 172.59 1aer s LEU 582 N 15.11 4.35 -0.50 1.23 1.98 -1.26 -4.93 118.68 134.67 1aer s LEU 582 Ca 0.90 2.31 -0.27 0.00 -2.89 0.00 0.00 54.13 54.18 1aer s LEU 582 Cb -0.11 -3.58 -0.01 0.00 0.66 0.00 0.00 46.19 43.15 1aer s LEU 582 CO 0.09 -0.72 1.75 -0.62 -1.89 0.00 0.00 176.35 174.96 1aer s ASP 583 N 1.55 5.66 0.48 3.68 2.15 -1.26 -4.86 116.67 124.07 1aer s ASP 583 Ca 0.66 0.69 0.27 0.00 0.43 0.00 0.00 52.55 54.61 1aer s ASP 583 Cb -0.36 -2.53 1.33 0.00 -0.30 0.00 0.00 42.92 41.06 1aer s ASP 583 CO 0.30 -2.00 1.82 -0.65 -0.17 0.00 0.00 175.17 174.46 1aer h PRO 584 N 13.49 0.17 0.00 4.34 0.11 -1.98 0.40 132.00 148.53 1aer h PRO 584 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1aer h PRO 584 Cb 1.15 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1aer h PRO 584 CO 1.14 0.11 0.00 -1.13 -0.21 0.00 0.00 178.00 177.92 1aer n SER 585 N -4.39 0.00 -0.28 -2.05 3.41 -1.26 -2.87 113.62 106.18 1aer n SER 585 Ca 0.23 -0.69 0.11 0.00 -0.26 0.00 0.00 58.87 58.26 1aer n SER 585 Cb 0.99 -0.05 0.06 0.00 -0.26 0.00 0.00 64.21 64.95 1aer n SER 585 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1aer n SER 586 N -1.05 1.44 -4.61 4.04 3.41 0.14 -4.84 113.62 112.16 1aer n SER 586 Ca 0.18 -1.15 -0.43 0.00 -0.26 0.00 0.00 58.87 57.21 1aer n SER 586 Cb 0.11 0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 64.56 1aer n SER 586 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1aer s ILE 587 N -2.67 4.52 0.43 -1.33 1.01 -1.14 -4.52 121.20 117.52 1aer s ILE 587 Ca 0.16 1.24 -0.26 0.00 0.00 0.00 0.00 60.65 61.79 1aer s ILE 587 Cb 0.18 -4.38 -0.09 0.00 0.01 0.00 0.00 42.46 38.17 1aer s ILE 587 CO 0.65 -0.60 1.38 -2.65 0.00 0.00 0.00 174.94 173.71 1aer n PRO 588 N 6.94 2.16 0.18 2.79 -0.02 -1.26 -4.87 135.00 140.92 1aer n PRO 588 Ca 0.08 0.77 0.07 0.00 -2.02 0.00 0.00 63.50 62.40 1aer n PRO 588 Cb 0.48 -2.54 0.18 0.00 -0.02 0.00 0.00 33.50 31.60 1aer n PRO 588 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1aer h ASP 589 N 2.26 0.00 -0.47 2.55 3.58 -1.97 -1.57 116.42 120.80 1aer h ASP 589 Ca -0.50 0.00 0.02 0.00 0.42 0.00 0.00 57.03 56.97 1aer h ASP 589 Cb 1.28 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.30 1aer h ASP 589 CO 0.61 0.30 0.28 0.11 -2.88 0.00 0.00 179.24 177.67 1aer h LYS 590 N 0.00 0.55 -0.02 0.28 1.57 -1.99 -1.61 116.57 115.36 1aer h LYS 590 Ca -0.00 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 1aer h LYS 590 Cb 1.12 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1aer h LYS 590 CO 0.04 0.37 -0.63 1.49 -0.57 0.00 0.00 179.45 180.14 1aer h GLU 591 N 0.57 0.08 -0.45 3.15 4.81 -1.89 -3.03 114.58 117.82 1aer h GLU 591 Ca 0.19 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1aer h GLU 591 Cb 0.00 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1aer h GLU 591 CO -0.08 0.69 0.22 0.37 -0.73 0.00 0.00 179.01 179.48 1aer h GLN 592 N 0.06 0.61 -0.00 1.92 5.75 -0.61 -1.62 115.11 121.22 1aer h GLN 592 Ca -0.01 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 1aer h GLN 592 Cb 1.13 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.55 1aer h GLN 592 CO 0.09 0.47 0.00 0.00 -2.65 0.00 0.00 178.83 176.74 1aer n ALA 593 N -2.47 2.67 0.22 3.38 0.00 -0.67 -2.88 120.51 120.77 1aer n ALA 593 Ca 0.03 -0.19 0.04 0.00 0.00 0.00 0.00 53.44 53.33 1aer n ALA 593 Cb 0.11 -1.48 -0.06 0.00 0.00 0.00 0.00 19.45 18.03 1aer n ALA 593 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1aer n ILE 594 N -0.95 0.00 -1.23 0.00 5.41 -0.66 -4.76 119.36 117.17 1aer n ILE 594 Ca 0.22 -0.25 -0.25 0.00 1.00 0.00 0.00 62.75 63.47 1aer n ILE 594 Cb 0.10 0.66 0.17 0.00 -0.71 0.00 0.00 39.64 39.86 1aer n ILE 594 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1aer n SER 595 N -1.50 4.26 -4.77 4.38 7.64 -0.88 -4.92 113.62 117.84 1aer n SER 595 Ca 0.00 -3.62 -0.39 0.00 1.01 0.00 0.00 58.87 55.87 1aer n SER 595 Cb 0.19 -0.86 -0.06 0.00 -1.01 0.00 0.00 64.21 62.47 1aer n SER 595 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aer s ALA 596 N -3.35 3.31 0.19 -0.43 0.00 -1.26 -5.02 121.76 115.20 1aer s ALA 596 Ca 0.58 0.53 0.04 0.00 0.00 0.00 0.00 51.96 53.11 1aer s ALA 596 Cb 0.48 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 20.41 1aer s ALA 596 CO 0.09 0.21 0.32 -0.51 0.00 0.00 0.00 175.76 175.88 1aer s LEU 597 N -1.55 4.33 0.79 0.00 2.01 -1.26 -4.87 118.68 118.12 1aer s LEU 597 Ca 0.44 0.13 -0.10 0.00 0.01 0.00 0.00 54.13 54.62 1aer s LEU 597 Cb -0.22 -2.90 0.10 0.00 0.01 0.00 0.00 46.19 43.18 1aer s LEU 597 CO 0.28 -0.01 1.12 -2.84 1.01 0.00 0.00 176.35 175.91 1aer s PRO 598 N -3.59 1.78 0.17 1.29 0.02 -1.26 -5.08 135.00 128.34 1aer s PRO 598 Ca 0.34 -0.24 -0.05 0.00 0.02 0.00 0.00 61.00 61.08 1aer s PRO 598 Cb -0.10 -2.05 -0.06 0.00 0.02 0.00 0.00 34.50 32.31 1aer s PRO 598 CO 0.29 -1.59 0.41 0.16 -0.33 0.00 0.00 177.00 175.94 1aer s ASP 599 N -4.63 6.49 0.00 2.53 1.47 -1.26 -5.17 116.67 116.10 1aer s ASP 599 Ca 0.64 0.61 0.00 0.00 1.18 0.00 0.00 52.55 54.98 1aer s ASP 599 Cb -0.09 -2.10 0.00 0.00 -0.34 0.00 0.00 42.92 40.39 1aer s ASP 599 CO 0.48 0.00 0.28 -1.22 0.68 0.00 0.00 175.17 175.38