#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aer n PHE 400 N 0.00 0.00 0.49 0.00 3.72 -1.26 -4.78 117.46 115.63 1aer n PHE 400 Ca 0.00 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 1aer n PHE 400 Cb 0.00 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 38.76 1aer n PHE 400 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1aer n LEU 401 N -0.67 2.57 0.00 4.37 4.77 -1.26 -4.74 117.00 122.05 1aer n LEU 401 Ca 0.00 -1.27 0.00 0.00 -0.03 0.00 0.00 56.01 54.71 1aer n LEU 401 Cb 0.01 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1aer n LEU 401 CO 0.00 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1aer n GLY 402 N 1.27 0.45 3.41 -0.72 0.00 -1.26 -4.82 105.19 103.51 1aer n GLY 402 Ca 0.16 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 1aer n GLY 402 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1aer s ASP 403 N -4.00 3.62 0.00 1.61 1.47 -1.26 -4.89 116.67 113.21 1aer s ASP 403 Ca 0.00 -0.32 0.00 0.00 1.18 0.00 0.00 52.55 53.41 1aer s ASP 403 Cb 0.00 -0.63 0.00 0.00 -0.34 0.00 0.00 42.92 41.95 1aer s ASP 403 CO 0.00 0.33 0.00 0.61 0.68 0.00 0.00 175.17 176.79 1aer n GLY 404 N 2.34 0.00 0.00 2.12 0.00 -1.26 -4.98 105.19 103.41 1aer n GLY 404 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1aer n GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aer n GLY 405 N 0.00 -0.03 3.76 -0.02 0.00 -1.26 -4.92 105.19 102.72 1aer n GLY 405 Ca 0.00 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 43.81 1aer n GLY 405 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1aer s ASP 406 N -1.84 7.28 0.34 1.61 -4.77 -1.26 -5.00 116.67 113.03 1aer s ASP 406 Ca 0.00 1.52 -0.21 0.00 -3.30 0.00 0.00 52.55 50.56 1aer s ASP 406 Cb 0.00 -2.48 -0.10 0.00 -1.09 0.00 0.00 42.92 39.26 1aer s ASP 406 CO 0.00 0.11 0.87 -0.69 0.70 0.00 0.00 175.17 176.16 1aer s VAL 407 N -0.55 4.42 -0.08 2.11 1.01 -1.26 -4.58 120.40 121.47 1aer s VAL 407 Ca 0.37 1.45 -0.17 0.00 0.00 0.00 0.00 61.98 63.63 1aer s VAL 407 Cb -0.22 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.43 1aer s VAL 407 CO 0.24 -0.07 0.41 -0.94 0.00 0.00 0.00 175.10 174.75 1aer s SER 408 N -1.94 -0.37 -0.23 3.32 1.04 -1.16 -4.96 113.70 109.41 1aer s SER 408 Ca 0.54 0.51 -0.14 0.00 0.48 0.00 0.00 55.95 57.34 1aer s SER 408 Cb -0.13 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 1aer s SER 408 CO 0.18 -0.34 0.30 -0.36 0.98 0.00 0.00 173.24 174.00 1aer s PHE 409 N -0.64 3.32 0.08 5.02 0.08 -1.26 0.30 117.98 124.88 1aer s PHE 409 Ca -0.07 0.41 -0.03 0.00 0.12 0.00 0.00 56.93 57.36 1aer s PHE 409 Cb -0.04 -2.44 -0.03 0.00 -0.57 0.00 0.00 43.02 39.95 1aer s PHE 409 CO 0.03 -0.04 0.04 -1.54 -0.10 0.00 0.00 175.22 173.62 1aer s SER 410 N 1.21 0.36 0.57 1.36 1.04 -1.23 -4.98 113.70 112.04 1aer s SER 410 Ca 0.14 -0.97 0.30 0.00 0.48 0.00 0.00 55.95 55.89 1aer s SER 410 Cb -0.15 0.26 1.74 0.00 0.10 0.00 0.00 66.02 67.97 1aer s SER 410 CO 0.07 -0.66 2.21 0.74 0.98 0.00 0.00 173.24 176.58 1aer h THR 411 N 2.99 0.52 0.00 2.02 2.02 -1.95 -0.58 112.91 117.93 1aer h THR 411 Ca -0.34 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1aer h THR 411 Cb 1.17 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1aer h THR 411 CO 0.62 0.03 -0.11 0.54 0.37 0.00 0.00 175.52 176.97 1aer n ARG 412 N -3.76 0.11 0.00 6.66 3.00 -1.26 -4.56 116.66 116.84 1aer n ARG 412 Ca -0.03 0.07 0.00 0.00 -0.01 0.00 0.00 57.85 57.89 1aer n ARG 412 Cb 0.13 -1.61 0.00 0.00 0.00 0.00 0.00 32.46 30.98 1aer n ARG 412 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1aer n GLY 413 N 1.43 3.51 3.65 -0.13 0.00 -0.23 -5.04 105.19 108.37 1aer n GLY 413 Ca 0.06 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.40 3.51 0.25 2.61 2.01 -1.26 -3.48 115.64 116.88 1aer s THR 414 Ca 0.00 0.60 -0.30 0.00 0.31 0.00 0.00 61.69 62.31 1aer s THR 414 Cb 0.00 -3.44 -0.09 0.00 0.01 0.00 0.00 72.50 68.98 1aer s THR 414 CO 0.00 -0.11 1.15 -1.10 -0.69 0.00 0.00 174.62 173.87 1aer s GLN 415 N 4.40 4.56 -1.79 4.92 -1.52 0.15 -3.47 119.66 126.91 1aer s GLN 415 Ca 0.76 1.86 0.00 0.00 -1.95 0.00 0.00 55.36 56.04 1aer s GLN 415 Cb -0.32 -3.20 0.00 0.00 -0.22 0.00 0.00 33.01 29.27 1aer s GLN 415 CO 0.31 0.07 0.00 0.09 -0.25 0.00 0.00 175.29 175.51 1aer n ASN 416 N 1.65 -5.09 -4.35 5.90 3.02 -1.26 -2.99 115.26 112.14 1aer n ASN 416 Ca 0.01 0.36 -0.33 0.00 -0.03 0.00 0.00 54.58 54.59 1aer n ASN 416 Cb 0.44 -4.13 -0.15 0.00 -0.61 0.00 0.00 39.78 35.34 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 -2.68 2.70 0.21 3.10 -0.11 -1.23 -4.85 118.94 116.09 1aer s TRP 417 Ca 0.00 -0.65 0.00 0.00 1.22 0.00 0.00 56.10 56.68 1aer s TRP 417 Cb 0.00 -1.76 -0.05 0.00 -1.50 0.00 0.00 33.47 30.17 1aer s TRP 417 CO 0.00 -0.19 0.08 0.95 -4.62 0.00 0.00 176.95 173.17 1aer s THR 418 N 0.12 0.37 0.33 5.86 -4.23 -1.26 -4.96 115.64 111.86 1aer s THR 418 Ca -0.08 -1.98 0.04 0.00 -1.18 0.00 0.00 61.69 58.49 1aer s THR 418 Cb -0.15 -2.41 0.16 0.00 1.34 0.00 0.00 72.50 71.44 1aer s THR 418 CO 0.05 -0.17 1.87 0.58 -0.54 0.00 0.00 174.62 176.42 1aer h VAL 419 N 2.58 1.20 -0.46 2.29 2.07 -1.97 -0.73 116.25 121.22 1aer h VAL 419 Ca -0.37 -0.78 -0.14 0.00 0.82 0.00 0.00 66.70 66.24 1aer h VAL 419 Cb 1.23 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1aer h VAL 419 CO 0.59 0.27 -0.24 -0.33 0.02 0.00 0.00 177.57 177.88 1aer h GLU 420 N 0.52 0.98 0.00 1.57 3.07 -2.00 -2.16 114.58 116.55 1aer h GLU 420 Ca 0.11 -0.44 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 1aer h GLU 420 Cb 0.33 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1aer h GLU 420 CO 0.01 1.11 0.00 -0.09 -1.40 0.00 0.00 179.01 178.64 1aer h ARG 421 N 0.83 0.00 0.02 2.33 2.43 -1.76 -2.90 114.38 115.32 1aer h ARG 421 Ca 0.10 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 59.02 1aer h ARG 421 Cb 0.82 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.39 1aer h ARG 421 CO 0.07 0.00 -1.00 1.25 -1.51 0.00 0.00 179.97 178.78 1aer h LEU 422 N 0.00 0.85 -1.04 3.80 6.46 -0.88 -2.87 115.31 121.63 1aer h LEU 422 Ca 0.00 -0.76 -0.03 0.00 -0.12 0.00 0.00 57.88 56.97 1aer h LEU 422 Cb 0.65 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.29 1aer h LEU 422 CO 0.00 1.50 0.28 -0.07 -0.62 0.00 0.00 178.44 179.53 1aer h LEU 423 N 0.30 0.88 0.45 2.25 3.38 -1.20 0.84 115.31 122.20 1aer h LEU 423 Ca -0.13 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1aer h LEU 423 Cb 1.67 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1aer h LEU 423 CO 0.20 0.77 -0.22 -0.61 0.09 0.00 0.00 178.44 178.67 1aer h GLN 424 N 0.95 -0.58 -0.94 1.13 4.15 -1.59 -2.24 115.11 115.99 1aer h GLN 424 Ca 0.23 0.04 0.14 0.00 0.77 0.00 0.00 58.65 59.83 1aer h GLN 424 Cb 0.16 0.13 -0.09 0.00 0.21 0.00 0.00 27.48 27.89 1aer h GLN 424 CO -0.02 -0.30 0.56 0.00 -1.93 0.00 0.00 178.83 177.14 1aer h ALA 425 N -0.83 1.44 0.18 3.38 0.00 -1.33 -0.35 119.26 121.76 1aer h ALA 425 Ca -0.06 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1aer h ALA 425 Cb 0.56 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1aer h ALA 425 CO 0.10 0.07 -0.20 1.25 0.00 0.00 0.00 179.25 180.47 1aer h HIS 426 N 0.82 -0.52 -0.47 0.00 -0.00 -0.84 -0.80 115.15 113.35 1aer h HIS 426 Ca 0.49 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.83 1aer h HIS 426 Cb 0.60 0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 28.19 1aer h HIS 426 CO -0.03 -0.30 0.12 0.00 -0.00 0.00 0.00 177.93 177.72 1aer h ARG 427 N -0.42 0.70 -0.60 5.26 2.47 -0.76 -0.48 114.38 120.54 1aer h ARG 427 Ca 0.00 -0.12 -0.09 0.00 -1.26 0.00 0.00 59.98 58.51 1aer h ARG 427 Cb 0.40 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.59 1aer h ARG 427 CO -0.06 0.63 0.01 1.96 0.56 0.00 0.00 179.97 183.07 1aer h GLN 428 N 0.68 1.05 -0.25 0.04 4.20 -0.76 -2.20 115.11 117.86 1aer h GLN 428 Ca 0.16 -0.32 -0.11 0.00 0.06 0.00 0.00 58.65 58.44 1aer h GLN 428 Cb 0.24 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1aer h GLN 428 CO -0.00 1.01 -0.31 -0.07 -0.67 0.00 0.00 178.83 178.79 1aer h LEU 429 N 0.96 0.53 -0.46 1.46 3.38 -0.37 -2.78 115.31 118.03 1aer h LEU 429 Ca 0.17 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1aer h LEU 429 Cb 0.53 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1aer h LEU 429 CO 0.03 0.81 -0.03 -0.33 0.09 0.00 0.00 178.44 179.01 1aer h GLU 430 N 0.44 0.83 0.00 1.13 5.08 -0.87 -0.08 114.58 121.12 1aer h GLU 430 Ca 0.05 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 1aer h GLU 430 Cb 0.76 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1aer h GLU 430 CO 0.06 0.90 -0.12 0.93 -1.00 0.00 0.00 179.01 179.78 1aer h GLU 431 N 0.67 0.00 -0.64 2.33 5.08 -1.23 0.67 114.58 121.47 1aer h GLU 431 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1aer h GLU 431 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1aer h GLU 431 CO 0.03 0.12 0.00 0.54 -1.00 0.00 0.00 179.01 178.70 1aer n ARG 432 N -4.17 2.53 -1.01 2.33 5.12 -1.05 -4.92 116.66 115.49 1aer n ARG 432 Ca -0.02 -1.47 -0.00 0.00 -1.93 0.00 0.00 57.85 54.42 1aer n ARG 432 Cb 0.20 -1.66 -0.00 0.00 -1.16 0.00 0.00 32.46 29.84 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 0.60 0.47 3.87 -0.13 0.00 0.23 -5.00 105.19 105.23 1aer n GLY 433 Ca 0.13 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.98 3.51 -0.05 1.61 1.51 -0.07 -0.61 117.35 121.26 1aer s TYR 434 Ca 0.00 0.85 0.05 0.00 -1.01 0.00 0.00 57.07 56.96 1aer s TYR 434 Cb 0.00 -2.23 -0.00 0.00 -0.11 0.00 0.00 41.96 39.62 1aer s TYR 434 CO 0.00 0.38 -0.20 0.54 -1.11 0.00 0.00 175.55 175.16 1aer s VAL 435 N -1.63 1.64 0.08 0.71 0.11 0.11 -4.09 120.40 117.33 1aer s VAL 435 Ca 0.41 -0.83 -0.31 0.00 -2.93 0.00 0.00 61.98 58.33 1aer s VAL 435 Cb -0.13 -1.40 -0.07 0.00 -1.53 0.00 0.00 36.38 33.25 1aer s VAL 435 CO 0.21 0.46 1.32 0.12 -3.33 0.00 0.00 175.10 173.88 1aer s PHE 436 N 0.03 3.25 0.00 1.54 5.36 -1.26 -1.18 117.98 125.72 1aer s PHE 436 Ca -0.05 1.06 0.00 0.00 -0.96 0.00 0.00 56.93 56.97 1aer s PHE 436 Cb -0.13 -3.59 0.00 0.00 -0.34 0.00 0.00 43.02 38.97 1aer s PHE 436 CO 0.03 -2.00 0.32 1.33 -1.46 0.00 0.00 175.22 173.44 1aer n VAL 437 N 4.05 0.00 -0.61 3.12 0.24 -0.61 -4.65 118.33 119.87 1aer n VAL 437 Ca 0.11 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 1aer n VAL 437 Cb 0.44 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 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 -2.57 3.64 7.63 0.00 -1.25 -4.52 105.19 108.39 1aer n GLY 438 Ca 0.00 -1.28 -0.26 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.16 2.79 -0.05 1.61 2.02 0.14 -1.60 117.35 120.10 1aer s TYR 439 Ca 0.00 -0.16 0.01 0.00 -0.37 0.00 0.00 57.07 56.55 1aer s TYR 439 Cb 0.00 -1.35 0.02 0.00 -0.40 0.00 0.00 41.96 40.23 1aer s TYR 439 CO 0.00 0.52 -0.06 -1.58 -1.57 0.00 0.00 175.55 172.86 1aer s HIS 440 N -1.75 0.86 -0.09 2.71 5.65 -0.20 -0.40 115.29 122.07 1aer s HIS 440 Ca 0.27 -0.26 0.01 0.00 0.25 0.00 0.00 55.06 55.33 1aer s HIS 440 Cb -0.09 -0.73 -0.02 0.00 -1.18 0.00 0.00 32.58 30.56 1aer s HIS 440 CO 0.18 -0.20 -0.11 0.20 -0.65 0.00 0.00 174.74 174.16 1aer s GLY 441 N 0.87 1.60 0.32 1.59 0.00 -1.25 -0.04 107.32 110.42 1aer s GLY 441 Ca -0.12 -0.91 -0.14 0.00 0.00 0.00 0.00 44.72 43.55 1aer s GLY 441 CO 0.01 -0.51 0.65 -1.08 0.00 0.00 0.00 173.10 172.16 1aer s THR 442 N -0.35 0.00 0.59 0.90 -1.32 -0.90 -4.33 115.64 110.23 1aer s THR 442 Ca 0.04 -1.20 -0.13 0.00 -1.21 0.00 0.00 61.69 59.19 1aer s THR 442 Cb -0.12 -2.47 -0.05 0.00 -1.51 0.00 0.00 72.50 68.34 1aer s THR 442 CO 0.02 0.00 1.02 0.72 -2.21 0.00 0.00 174.62 174.17 1aer s PHE 443 N -3.21 3.55 0.27 9.09 -0.71 -1.26 -1.15 117.98 124.56 1aer s PHE 443 Ca 0.19 1.36 -0.08 0.00 -1.04 0.00 0.00 56.93 57.36 1aer s PHE 443 Cb -0.03 -2.75 0.46 0.00 -1.21 0.00 0.00 43.02 39.48 1aer s PHE 443 CO 0.11 -0.60 1.52 1.28 -1.34 0.00 0.00 175.22 176.19 1aer n LEU 444 N -2.35 -0.34 0.20 -1.99 4.77 -1.26 -0.83 117.00 115.18 1aer n LEU 444 Ca 0.06 1.68 0.07 0.00 -0.03 0.00 0.00 56.01 57.79 1aer n LEU 444 Cb 0.54 -0.51 0.38 0.00 -2.33 0.00 0.00 43.42 41.50 1aer n LEU 444 CO 0.54 -1.61 0.72 -0.33 -1.33 0.00 0.00 177.39 175.38 1aer h GLU 445 N 0.00 0.00 0.00 3.23 3.07 -1.94 -2.68 114.58 116.27 1aer h GLU 445 Ca 0.47 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.12 1aer h GLU 445 Cb 0.73 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.60 1aer h GLU 445 CO -1.00 0.33 -1.02 0.00 -1.40 0.00 0.00 179.01 175.91 1aer h ALA 446 N 1.67 0.37 0.04 3.43 0.00 -1.35 -3.07 119.26 120.36 1aer h ALA 446 Ca -0.00 -0.93 -0.00 0.00 0.00 0.00 0.00 54.91 53.98 1aer h ALA 446 Cb 0.84 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1aer h ALA 446 CO 0.04 1.25 -0.02 0.00 0.00 0.00 0.00 179.25 180.53 1aer h ALA 447 N 1.01 -0.06 -0.52 0.00 0.00 -1.16 -0.62 119.26 117.91 1aer h ALA 447 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1aer h ALA 447 Cb 1.77 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 1aer h ALA 447 CO 0.13 -0.50 0.28 0.37 0.00 0.00 0.00 179.25 179.53 1aer h GLN 448 N -0.12 0.73 -0.12 0.00 5.75 -1.58 -1.11 115.11 118.65 1aer h GLN 448 Ca -0.01 -0.09 -0.00 0.00 -0.15 0.00 0.00 58.65 58.40 1aer h GLN 448 Cb 0.11 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 1aer h GLN 448 CO 0.01 0.57 0.06 1.03 -2.65 0.00 0.00 178.83 177.85 1aer h SER 449 N 0.69 0.16 -0.36 -0.69 0.87 -1.42 -0.20 113.55 112.60 1aer h SER 449 Ca 0.18 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 1aer h SER 449 Cb 0.06 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 1aer h SER 449 CO -0.03 0.22 0.11 0.40 -0.53 0.00 0.00 176.83 177.00 1aer h ILE 450 N 0.08 1.21 -0.26 2.23 2.04 -1.03 -1.64 117.51 120.14 1aer h ILE 450 Ca 0.04 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 1aer h ILE 450 Cb 0.11 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1aer h ILE 450 CO -0.01 0.24 -0.03 0.58 0.00 0.00 0.00 178.15 178.94 1aer h VAL 451 N 0.43 1.27 -2.05 1.67 2.07 -1.17 -0.76 116.25 117.71 1aer h VAL 451 Ca 0.12 -0.98 -0.69 0.00 0.82 0.00 0.00 66.70 65.96 1aer h VAL 451 Cb 0.26 1.39 -0.35 0.00 -1.52 0.00 0.00 31.29 31.07 1aer h VAL 451 CO -0.00 0.31 0.15 0.49 0.02 0.00 0.00 177.57 178.54 1aer n PHE 452 N -4.58 3.35 0.00 1.57 3.01 -0.09 -4.42 117.46 116.29 1aer n PHE 452 Ca -0.03 -3.06 0.00 0.00 1.01 0.00 0.00 57.45 55.36 1aer n PHE 452 Cb 0.27 -0.74 0.00 0.00 -0.01 0.00 0.00 39.48 39.01 1aer n PHE 452 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1aer n GLY 453 N -0.31 0.05 0.00 1.37 0.00 -0.65 -4.83 105.19 100.82 1aer n GLY 453 Ca 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 0.43 3.74 -0.02 0.00 -0.29 -4.94 105.19 104.10 1aer n GLY 454 Ca 0.00 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.77 2.41 -0.10 1.61 1.01 -1.26 -4.60 120.40 116.70 1aer s VAL 455 Ca 0.00 0.33 -0.09 0.00 0.00 0.00 0.00 61.98 62.22 1aer s VAL 455 Cb 0.00 -3.21 0.03 0.00 0.00 0.00 0.00 36.38 33.20 1aer s VAL 455 CO 0.00 0.04 0.27 -0.13 0.00 0.00 0.00 175.10 175.28 1aer s ARG 456 N 0.09 0.30 0.00 2.72 0.52 -1.26 -4.36 118.95 116.96 1aer s ARG 456 Ca 0.64 0.40 0.00 0.00 -0.52 0.00 0.00 55.73 56.26 1aer s ARG 456 Cb -0.45 0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.13 1aer s ARG 456 CO 0.41 -0.06 0.00 0.00 0.02 0.00 0.00 175.30 175.67 1aer n ALA 457 N 3.14 0.00 0.00 2.13 0.00 -1.26 -5.09 120.51 119.42 1aer n ALA 457 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1aer n ALA 457 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1aer n ALA 457 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aer n ALA 464 N -3.00 -0.93 -0.13 0.00 0.00 -1.26 -5.20 120.51 109.99 1aer n ALA 464 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1aer n ALA 464 Cb 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 19.45 19.09 1aer n ALA 464 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1aer h ILE 465 N 0.00 1.23 -0.79 0.00 2.04 -2.01 -3.20 117.51 114.77 1aer h ILE 465 Ca 0.00 -0.79 -0.47 0.00 1.00 0.00 0.00 64.86 64.60 1aer h ILE 465 Cb 0.00 1.01 -0.24 0.00 -0.74 0.00 0.00 36.82 36.85 1aer h ILE 465 CO 0.00 0.27 0.60 0.79 0.00 0.00 0.00 178.15 179.82 1aer n TRP 466 N -4.57 2.49 -2.75 1.37 7.02 -1.26 -4.14 117.44 115.60 1aer n TRP 466 Ca -0.01 -2.06 -0.40 0.00 -1.02 0.00 0.00 57.50 54.01 1aer n TRP 466 Cb 0.21 -1.02 -0.06 0.00 -2.42 0.00 0.00 31.31 28.02 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 -2.80 4.83 0.00 -0.99 1.70 -1.21 -4.98 118.95 115.49 1aer s ARG 467 Ca 0.48 1.48 0.00 0.00 -0.47 0.00 0.00 55.73 57.22 1aer s ARG 467 Cb 0.39 -3.30 0.00 0.00 -0.57 0.00 0.00 34.95 31.47 1aer s ARG 467 CO 0.04 0.46 0.00 0.41 -1.08 0.00 0.00 175.30 175.14 1aer n GLY 468 N 1.63 -1.85 3.55 3.88 0.00 -1.26 -4.48 105.19 106.67 1aer n GLY 468 Ca -0.01 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.41 3.12 -0.00 1.61 5.36 -0.29 -4.86 117.98 120.50 1aer s PHE 469 Ca 0.00 -0.16 -0.18 0.00 -0.96 0.00 0.00 56.93 55.63 1aer s PHE 469 Cb 0.00 -2.03 -0.06 0.00 -0.34 0.00 0.00 43.02 40.59 1aer s PHE 469 CO 0.00 0.01 0.52 0.71 -1.46 0.00 0.00 175.22 175.00 1aer s TYR 470 N 0.47 3.70 0.19 10.12 1.51 -1.26 -0.72 117.35 131.37 1aer s TYR 470 Ca -0.00 1.11 -0.06 0.00 -1.01 0.00 0.00 57.07 57.11 1aer s TYR 470 Cb -0.13 -2.48 -0.02 0.00 -0.11 0.00 0.00 41.96 39.21 1aer s TYR 470 CO 0.02 0.46 0.25 0.96 -1.11 0.00 0.00 175.55 176.13 1aer s ILE 471 N -0.53 0.03 -0.02 2.71 -4.36 -0.69 -4.80 121.20 113.55 1aer s ILE 471 Ca 0.28 -1.68 0.00 0.00 -0.26 0.00 0.00 60.65 58.99 1aer s ILE 471 Cb -0.18 -2.20 0.02 0.00 1.25 0.00 0.00 42.46 41.35 1aer s ILE 471 CO 0.15 -0.14 0.00 0.00 0.24 0.00 0.00 174.94 175.20 1aer s ALA 472 N -4.06 0.20 0.34 2.27 0.00 0.46 -1.71 121.76 119.26 1aer s ALA 472 Ca 0.27 0.11 0.11 0.00 0.00 0.00 0.00 51.96 52.46 1aer s ALA 472 Cb 0.04 -0.20 0.61 0.00 0.00 0.00 0.00 23.12 23.58 1aer s ALA 472 CO 0.07 -0.04 1.77 0.78 0.00 0.00 0.00 175.76 178.34 1aer h GLY 473 N 6.83 0.04 -6.89 0.00 0.00 -1.79 0.39 103.07 101.63 1aer h GLY 473 Ca -0.37 -0.03 -0.62 0.00 0.00 0.00 0.00 47.33 46.31 1aer h GLY 473 CO 0.49 0.03 0.41 -0.35 0.00 0.00 0.00 176.54 177.12 1aer s ASP 474 N -6.91 6.47 0.48 0.19 -1.08 -1.26 -4.70 116.67 109.86 1aer s ASP 474 Ca -0.03 0.07 0.27 0.00 -0.52 0.00 0.00 52.55 52.35 1aer s ASP 474 Cb 0.14 -2.40 1.34 0.00 -1.46 0.00 0.00 42.92 40.53 1aer s ASP 474 CO 0.74 -0.89 1.82 1.55 0.52 0.00 0.00 175.17 178.90 1aer h PRO 475 N 8.86 0.17 -0.13 4.34 0.13 -1.97 0.19 132.00 143.59 1aer h PRO 475 Ca -0.25 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.82 1aer h PRO 475 Cb 1.09 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1aer h PRO 475 CO 0.96 0.11 -0.16 0.00 -0.23 0.00 0.00 178.00 178.68 1aer h ALA 476 N 1.53 1.49 -0.15 -0.56 0.00 -1.95 -1.05 119.26 118.58 1aer h ALA 476 Ca 0.54 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 55.05 1aer h ALA 476 Cb 1.78 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.49 1aer h ALA 476 CO -0.13 0.36 -0.57 1.25 0.00 0.00 0.00 179.25 180.16 1aer h LEU 477 N 0.19 0.77 -1.60 0.00 5.85 -1.00 -3.12 115.31 116.40 1aer h LEU 477 Ca 0.04 -0.61 -0.04 0.00 0.84 0.00 0.00 57.88 58.11 1aer h LEU 477 Cb 0.41 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1aer h LEU 477 CO 0.03 1.25 -0.17 0.00 -0.34 0.00 0.00 178.44 179.21 1aer h ALA 478 N 0.54 1.18 -0.33 1.25 0.00 -1.40 -3.12 119.26 117.37 1aer h ALA 478 Ca -0.03 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1aer h ALA 478 Cb 1.20 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1aer h ALA 478 CO 0.12 0.21 -0.08 -0.92 0.00 0.00 0.00 179.25 178.58 1aer h TYR 479 N 0.00 0.58 0.00 0.00 5.03 -1.13 -2.73 116.97 118.72 1aer h TYR 479 Ca -0.00 -0.08 0.00 0.00 2.58 0.00 0.00 58.73 61.23 1aer h TYR 479 Cb 0.50 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 38.62 1aer h TYR 479 CO 0.00 0.62 0.00 0.78 -1.32 0.00 0.00 178.16 178.24 1aer h GLY 480 N 0.91 0.00 -0.37 1.82 0.00 -1.62 -2.08 103.07 101.74 1aer h GLY 480 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1aer h GLY 480 CO 0.02 0.00 -0.76 -1.72 0.00 0.00 0.00 176.54 174.09 1aer n TYR 481 N -2.83 0.00 -1.47 5.60 4.01 -1.04 -4.76 117.16 116.67 1aer n TYR 481 Ca -0.01 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.33 1aer n TYR 481 Cb 0.17 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.17 1aer n TYR 481 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1aer n ALA 482 N -0.88 6.55 -3.65 -0.72 0.00 -0.78 -3.72 120.51 117.31 1aer n ALA 482 Ca 0.06 -3.63 0.02 0.00 0.00 0.00 0.00 53.44 49.89 1aer n ALA 482 Cb 0.39 -3.44 -0.00 0.00 0.00 0.00 0.00 19.45 16.39 1aer n ALA 482 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1aer s GLN 483 N 2.70 0.40 0.20 0.00 -2.07 -1.24 -0.07 119.66 119.59 1aer s GLN 483 Ca 0.59 -0.23 -0.30 0.00 -1.82 0.00 0.00 55.36 53.60 1aer s GLN 483 Cb 0.16 0.13 -0.08 0.00 -1.09 0.00 0.00 33.01 32.13 1aer s GLN 483 CO -0.07 -0.19 1.09 -0.51 -1.32 0.00 0.00 175.29 174.30 1aer s ASP 484 N -3.05 7.28 0.00 12.60 1.01 -0.54 -4.20 116.67 129.77 1aer s ASP 484 Ca 0.15 2.11 0.19 0.00 0.71 0.00 0.00 52.55 55.72 1aer s ASP 484 Cb 0.04 -2.61 0.58 0.00 1.01 0.00 0.00 42.92 41.94 1aer s ASP 484 CO -0.04 -0.19 1.45 0.00 0.21 0.00 0.00 175.17 176.61 1aer n GLN 485 N 2.13 1.99 -3.57 8.23 6.02 -1.26 -4.70 117.38 126.22 1aer n GLN 485 Ca 0.02 -1.51 -0.07 0.00 -0.01 0.00 0.00 57.00 55.44 1aer n GLN 485 Cb 0.46 -1.41 -0.03 0.00 1.02 0.00 0.00 30.24 30.28 1aer n GLN 485 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1aer s GLU 486 N -1.61 0.50 0.28 -1.09 2.02 -1.26 -5.12 118.70 112.41 1aer s GLU 486 Ca 0.33 -0.10 -0.30 0.00 0.02 0.00 0.00 54.97 54.92 1aer s GLU 486 Cb 0.18 0.23 -0.12 0.00 0.10 0.00 0.00 34.13 34.52 1aer s GLU 486 CO 0.26 -0.20 1.57 -2.30 0.02 0.00 0.00 175.26 174.60 1aer n PRO 487 N 0.10 2.59 0.00 0.39 -0.02 -1.26 -4.73 135.00 132.07 1aer n PRO 487 Ca -0.05 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1aer n PRO 487 Cb 0.59 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1aer n PRO 487 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1aer n ASP 488 N 2.18 -0.39 0.25 2.55 5.68 0.12 -4.78 116.55 122.16 1aer n ASP 488 Ca 0.09 -0.14 0.11 0.00 -0.50 0.00 0.00 54.79 54.35 1aer n ASP 488 Cb 0.36 0.00 0.65 0.00 -1.14 0.00 0.00 41.12 40.99 1aer n ASP 488 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1aer h ALA 489 N -2.00 1.25 -0.59 2.12 0.00 -1.94 -2.14 119.26 115.96 1aer h ALA 489 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1aer h ALA 489 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1aer h ALA 489 CO 0.00 0.19 0.00 0.54 0.00 0.00 0.00 179.25 179.98 1aer n ARG 490 N -3.64 3.52 -1.34 0.00 5.12 -1.26 -4.95 116.66 114.11 1aer n ARG 490 Ca -0.01 -2.79 -0.06 0.00 -1.93 0.00 0.00 57.85 53.06 1aer n ARG 490 Cb 0.28 -1.80 -0.02 0.00 -1.16 0.00 0.00 32.46 29.76 1aer n ARG 490 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1aer n GLY 491 N 0.96 0.70 3.78 -0.13 0.00 -0.80 -5.03 105.19 104.66 1aer n GLY 491 Ca 0.24 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.83 2.93 -0.18 1.61 0.52 -1.26 -4.76 118.95 114.99 1aer s ARG 492 Ca 0.00 -0.63 0.00 0.00 -0.52 0.00 0.00 55.73 54.58 1aer s ARG 492 Cb 0.00 -2.76 0.04 0.00 0.52 0.00 0.00 34.95 32.75 1aer s ARG 492 CO 0.00 0.59 -0.08 0.42 0.02 0.00 0.00 175.30 176.24 1aer s ILE 493 N -1.34 1.40 0.27 1.52 1.01 -1.26 0.14 121.20 122.94 1aer s ILE 493 Ca 0.28 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 60.15 1aer s ILE 493 Cb -0.12 -1.50 -0.05 0.00 0.01 0.00 0.00 42.46 40.81 1aer s ILE 493 CO 0.20 0.18 0.12 0.00 0.00 0.00 0.00 174.94 175.44 1aer s ARG 494 N 1.51 1.46 0.64 2.79 1.70 -1.26 -4.92 118.95 120.87 1aer s ARG 494 Ca 0.00 -1.81 -0.16 0.00 -0.47 0.00 0.00 55.73 53.29 1aer s ARG 494 Cb -0.15 -0.18 -0.01 0.00 -0.57 0.00 0.00 34.95 34.04 1aer s ARG 494 CO -0.08 -0.35 1.14 0.54 -1.08 0.00 0.00 175.30 175.47 1aer s ASN 495 N -3.33 5.10 0.00 -2.89 4.22 -1.26 -1.47 114.94 115.31 1aer s ASN 495 Ca 0.37 2.15 0.00 0.00 -2.14 0.00 0.00 52.86 53.24 1aer s ASN 495 Cb 0.07 -2.57 0.00 0.00 1.28 0.00 0.00 41.25 40.03 1aer s ASN 495 CO 0.15 -1.64 0.00 0.61 -2.04 0.00 0.00 177.10 174.17 1aer n GLY 496 N -0.07 4.32 3.11 0.45 0.00 0.91 -4.47 105.19 109.44 1aer n GLY 496 Ca 0.12 -1.71 -0.08 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.26 0.48 -0.10 4.61 0.00 -0.30 -4.64 121.76 119.55 1aer s ALA 497 Ca 0.00 -1.18 -0.01 0.00 0.00 0.00 0.00 51.96 50.77 1aer s ALA 497 Cb 0.00 0.39 -0.03 0.00 0.00 0.00 0.00 23.12 23.48 1aer s ALA 497 CO 0.00 -0.41 -0.04 -0.51 0.00 0.00 0.00 175.76 174.81 1aer s LEU 498 N -2.93 3.31 0.09 0.00 1.43 -1.26 -2.11 118.68 117.21 1aer s LEU 498 Ca 0.09 -0.01 0.09 0.00 -1.03 0.00 0.00 54.13 53.27 1aer s LEU 498 Cb 0.08 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 1aer s LEU 498 CO -0.08 0.30 -0.21 -0.76 0.23 0.00 0.00 176.35 175.83 1aer s LEU 499 N -0.44 2.54 -0.19 1.79 1.02 0.94 -2.01 118.68 122.33 1aer s LEU 499 Ca 0.07 -0.57 -0.10 0.00 0.02 0.00 0.00 54.13 53.55 1aer s LEU 499 Cb -0.12 -1.44 -0.05 0.00 0.02 0.00 0.00 46.19 44.60 1aer s LEU 499 CO 0.02 0.21 0.13 -0.13 0.02 0.00 0.00 176.35 176.59 1aer s ARG 500 N -1.86 4.12 -0.14 1.70 0.52 0.57 -1.03 118.95 122.83 1aer s ARG 500 Ca 0.16 -0.22 -0.03 0.00 -0.52 0.00 0.00 55.73 55.11 1aer s ARG 500 Cb -0.10 -3.39 -0.03 0.00 0.52 0.00 0.00 34.95 31.95 1aer s ARG 500 CO 0.07 0.33 -0.04 0.08 0.02 0.00 0.00 175.30 175.76 1aer s VAL 501 N 0.26 3.87 0.09 3.52 1.01 -0.63 -1.38 120.40 127.14 1aer s VAL 501 Ca 0.08 -0.37 0.10 0.00 0.00 0.00 0.00 61.98 61.79 1aer s VAL 501 Cb -0.11 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 1aer s VAL 501 CO -0.01 0.51 -0.26 -0.31 0.00 0.00 0.00 175.10 175.02 1aer s TYR 502 N 0.22 2.25 0.12 5.22 1.51 0.61 -1.58 117.35 125.70 1aer s TYR 502 Ca -0.03 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.66 1aer s TYR 502 Cb -0.14 -1.28 -0.04 0.00 -0.11 0.00 0.00 41.96 40.39 1aer s TYR 502 CO 0.03 0.23 -0.05 0.14 -1.11 0.00 0.00 175.55 174.80 1aer s VAL 503 N -0.95 0.71 0.44 0.71 -7.23 -0.32 -1.86 120.40 111.89 1aer s VAL 503 Ca 0.12 -1.96 -0.26 0.00 -1.81 0.00 0.00 61.98 58.08 1aer s VAL 503 Cb -0.10 -1.82 -0.08 0.00 0.56 0.00 0.00 36.38 34.94 1aer s VAL 503 CO 0.04 -0.75 1.39 -2.84 -0.31 0.00 0.00 175.10 172.63 1aer s PRO 504 N -3.85 3.78 0.46 4.82 0.02 -1.26 0.10 135.00 139.06 1aer s PRO 504 Ca 0.16 2.35 0.12 0.00 0.02 0.00 0.00 61.00 63.65 1aer s PRO 504 Cb 0.05 -2.70 1.05 0.00 0.02 0.00 0.00 34.50 32.93 1aer s PRO 504 CO -0.02 -0.72 2.08 -0.09 -0.33 0.00 0.00 177.00 177.92 1aer h ARG 505 N 2.45 0.30 0.00 5.54 2.43 -1.17 -1.44 114.38 122.49 1aer h ARG 505 Ca -0.50 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1aer h ARG 505 Cb 1.26 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1aer h ARG 505 CO 0.62 0.20 0.00 -1.13 -1.51 0.00 0.00 179.97 178.15 1aer n SER 506 N -4.49 0.00 0.10 -3.80 3.41 -1.26 -1.98 113.62 105.60 1aer n SER 506 Ca 0.02 0.38 0.12 0.00 -0.26 0.00 0.00 58.87 59.14 1aer n SER 506 Cb 0.14 -0.44 0.16 0.00 -0.26 0.00 0.00 64.21 63.81 1aer n SER 506 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1aer h SER 507 N 0.00 0.00 -0.73 4.04 0.02 -1.62 -3.38 113.55 111.87 1aer h SER 507 Ca 0.00 -0.10 0.21 0.00 -0.84 0.00 0.00 61.79 61.06 1aer h SER 507 Cb 0.22 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 1aer h SER 507 CO 0.00 0.05 0.76 -0.07 -1.14 0.00 0.00 176.83 176.44 1aer h LEU 508 N 0.00 0.00 0.00 5.07 3.38 -1.50 0.12 115.31 122.37 1aer h LEU 508 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1aer h LEU 508 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1aer h LEU 508 CO 0.00 0.00 0.00 -2.65 0.09 0.00 0.00 178.44 175.88 1aer n PRO 509 N -3.60 0.81 -0.17 1.13 -0.02 -1.26 -2.78 135.00 129.11 1aer n PRO 509 Ca 0.15 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.74 1aer n PRO 509 Cb 1.02 -1.47 0.19 0.00 -0.02 0.00 0.00 33.50 33.21 1aer n PRO 509 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aer n GLY 510 N 0.61 1.63 3.69 -1.23 0.00 0.41 -4.90 105.19 105.40 1aer n GLY 510 Ca 0.19 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.35 3.34 0.41 1.61 0.40 -1.12 -0.96 117.98 120.31 1aer s PHE 511 Ca 0.34 0.22 0.03 0.00 -0.60 0.00 0.00 56.93 56.92 1aer s PHE 511 Cb 0.20 -2.15 -0.03 0.00 0.51 0.00 0.00 43.02 41.55 1aer s PHE 511 CO 0.28 0.21 0.09 0.71 0.70 0.00 0.00 175.22 177.20 1aer s TYR 512 N 0.48 1.85 -0.06 0.36 1.51 0.08 -3.04 117.35 118.53 1aer s TYR 512 Ca 0.06 -1.15 -0.07 0.00 -1.01 0.00 0.00 57.07 54.91 1aer s TYR 512 Cb -0.12 -1.27 0.02 0.00 -0.11 0.00 0.00 41.96 40.48 1aer s TYR 512 CO -0.00 -0.13 0.18 -0.98 -1.11 0.00 0.00 175.55 173.51 1aer s ARG 513 N -3.78 0.27 0.07 -0.62 1.70 0.25 -2.04 118.95 114.81 1aer s ARG 513 Ca 0.24 0.14 0.03 0.00 -0.47 0.00 0.00 55.73 55.67 1aer s ARG 513 Cb 0.04 0.13 -0.03 0.00 -0.57 0.00 0.00 34.95 34.52 1aer s ARG 513 CO 0.13 -0.04 -0.09 -0.08 -1.08 0.00 0.00 175.30 174.14 1aer s THR 514 N -0.18 0.74 -1.71 4.99 -1.32 -0.91 -4.52 115.64 112.73 1aer s THR 514 Ca -0.03 -1.44 0.27 0.00 -1.21 0.00 0.00 61.69 59.28 1aer s THR 514 Cb -0.02 -1.09 0.32 0.00 -1.51 0.00 0.00 72.50 70.20 1aer s THR 514 CO 0.01 -0.52 1.66 -1.20 -2.21 0.00 0.00 174.62 172.35 1aer n SER 515 N 0.87 0.84 -4.86 8.08 7.64 -1.26 -4.31 113.62 120.63 1aer n SER 515 Ca -0.18 -0.78 -0.32 0.00 1.01 0.00 0.00 58.87 58.60 1aer n SER 515 Cb 0.57 0.07 -0.05 0.00 -1.01 0.00 0.00 64.21 63.78 1aer n SER 515 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1aer s LEU 516 N -2.50 4.04 0.25 -3.43 1.43 -1.26 -4.73 118.68 112.48 1aer s LEU 516 Ca 0.25 1.13 -0.15 0.00 -1.03 0.00 0.00 54.13 54.34 1aer s LEU 516 Cb 0.19 -3.94 -0.08 0.00 0.03 0.00 0.00 46.19 42.39 1aer s LEU 516 CO 0.51 -0.21 0.66 0.42 0.23 0.00 0.00 176.35 177.96 1aer s THR 517 N -2.03 4.73 -2.00 5.49 -4.23 -1.26 -4.11 115.64 112.23 1aer s THR 517 Ca 0.51 0.91 0.11 0.00 -1.18 0.00 0.00 61.69 62.05 1aer s THR 517 Cb -0.10 -3.69 0.32 0.00 1.34 0.00 0.00 72.50 70.37 1aer s THR 517 CO 0.22 0.00 1.20 0.18 -0.54 0.00 0.00 174.62 175.68 1aer n LEU 518 N 0.13 0.00 0.02 4.79 4.32 -1.26 -1.66 117.00 123.35 1aer n LEU 518 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 56.01 56.10 1aer n LEU 518 Cb 0.52 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 42.20 1aer n LEU 518 CO 0.43 0.00 -0.54 0.00 -1.22 0.00 0.00 177.39 176.06 1aer n ALA 519 N -0.76 2.71 -1.72 -1.18 0.00 -1.26 -4.88 120.51 113.41 1aer n ALA 519 Ca 0.09 -0.44 -0.42 0.00 0.00 0.00 0.00 53.44 52.66 1aer n ALA 519 Cb 0.04 -0.85 -0.01 0.00 0.00 0.00 0.00 19.45 18.63 1aer n ALA 519 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aer n ALA 520 N -2.24 1.76 -0.24 0.00 0.00 -0.66 -4.93 120.51 114.19 1aer n ALA 520 Ca -0.03 0.36 0.04 0.00 0.00 0.00 0.00 53.44 53.81 1aer n ALA 520 Cb 0.57 -2.33 0.17 0.00 0.00 0.00 0.00 19.45 17.85 1aer n ALA 520 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1aer h PRO 521 N 3.25 0.39 -0.00 0.00 0.13 -1.93 -0.97 132.00 132.87 1aer h PRO 521 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1aer h PRO 521 Cb 1.26 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1aer h PRO 521 CO 0.67 0.26 -0.07 0.39 -0.23 0.00 0.00 178.00 179.02 1aer n GLU 522 N -5.03 0.54 -0.17 0.86 1.02 -1.26 -4.24 120.64 112.35 1aer n GLU 522 Ca 0.13 -0.11 -0.02 0.00 -0.02 0.00 0.00 57.16 57.13 1aer n GLU 522 Cb 0.39 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.39 1aer n GLU 522 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1aer h ALA 523 N 3.50 0.67 -0.57 0.62 0.00 -1.45 -2.39 119.26 119.64 1aer h ALA 523 Ca 0.00 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1aer h ALA 523 Cb 0.33 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1aer h ALA 523 CO 0.00 -0.19 0.30 0.00 0.00 0.00 0.00 179.25 179.36 1aer h ALA 524 N 1.35 0.75 -0.01 0.00 0.00 -1.78 -0.16 119.26 119.40 1aer h ALA 524 Ca 0.26 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 1aer h ALA 524 Cb 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1aer h ALA 524 CO -0.25 -0.04 -0.71 0.78 0.00 0.00 0.00 179.25 179.04 1aer h GLY 525 N 0.57 0.10 1.32 0.00 0.00 -1.85 -1.92 103.07 101.27 1aer h GLY 525 Ca 0.25 -0.14 -0.14 0.00 0.00 0.00 0.00 47.33 47.31 1aer h GLY 525 CO -0.17 0.12 -0.35 -2.09 0.00 0.00 0.00 176.54 174.05 1aer h GLU 526 N 0.06 0.76 -0.17 4.80 4.57 -0.86 -2.26 114.58 121.47 1aer h GLU 526 Ca -0.01 -0.37 -0.12 0.00 -1.18 0.00 0.00 59.36 57.68 1aer h GLU 526 Cb 1.25 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1aer h GLU 526 CO 0.10 0.99 -0.34 0.28 -1.18 0.00 0.00 179.01 178.86 1aer h VAL 527 N 0.63 1.34 0.00 0.32 2.07 -1.02 -2.75 116.25 116.84 1aer h VAL 527 Ca 0.06 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 66.00 1aer h VAL 527 Cb 0.89 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 1aer h VAL 527 CO 0.08 0.48 0.00 -0.33 0.02 0.00 0.00 177.57 177.82 1aer h GLU 528 N 0.19 0.00 0.14 1.57 5.08 -1.34 -0.09 114.58 120.14 1aer h GLU 528 Ca 0.01 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 1aer h GLU 528 Cb 0.94 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.22 1aer h GLU 528 CO 0.08 0.00 -1.04 -0.09 -1.00 0.00 0.00 179.01 176.96 1aer h ARG 529 N 0.00 0.45 -0.04 2.33 2.43 -1.26 -1.50 114.38 116.80 1aer h ARG 529 Ca 0.00 -0.68 -0.06 0.00 -0.81 0.00 0.00 59.98 58.43 1aer h ARG 529 Cb 0.32 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1aer h ARG 529 CO 0.00 1.30 -0.22 -0.07 -1.51 0.00 0.00 179.97 179.48 1aer h LEU 530 N -0.06 0.26 -1.62 3.80 3.38 -1.11 -3.31 115.31 116.64 1aer h LEU 530 Ca -0.17 -0.67 -0.04 0.00 0.09 0.00 0.00 57.88 57.09 1aer h LEU 530 Cb 1.78 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 1aer h LEU 530 CO 0.20 0.89 -0.19 0.40 0.09 0.00 0.00 178.44 179.83 1aer h ILE 531 N -0.35 0.69 -0.14 1.22 5.03 -1.16 -3.23 117.51 119.57 1aer h ILE 531 Ca -0.02 -0.79 -0.05 0.00 -0.12 0.00 0.00 64.86 63.88 1aer h ILE 531 Cb 0.89 1.50 -0.02 0.00 -3.03 0.00 0.00 36.82 36.16 1aer h ILE 531 CO 0.04 0.18 -0.04 0.61 -0.68 0.00 0.00 178.15 178.26 1aer n GLY 532 N -0.46 0.52 3.63 5.37 0.00 -0.58 -4.95 105.19 108.71 1aer n GLY 532 Ca -0.01 -0.95 -0.04 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.09 -0.17 0.58 1.61 -3.43 -1.12 -5.04 115.29 105.62 1aer s HIS 533 Ca 0.00 0.00 -0.19 0.00 -0.80 0.00 0.00 55.06 54.08 1aer s HIS 533 Cb 0.00 0.57 -0.04 0.00 -1.43 0.00 0.00 32.58 31.68 1aer s HIS 533 CO 0.00 -0.52 1.17 -2.14 -2.00 0.00 0.00 174.74 171.25 1aer s PRO 534 N -2.91 3.10 0.86 -0.38 0.02 -1.26 -4.57 135.00 129.86 1aer s PRO 534 Ca 0.10 1.71 -0.11 0.00 0.02 0.00 0.00 61.00 62.72 1aer s PRO 534 Cb 0.00 -1.96 0.11 0.00 0.02 0.00 0.00 34.50 32.67 1aer s PRO 534 CO -0.03 -1.07 1.10 -0.51 -0.33 0.00 0.00 177.00 176.15 1aer s LEU 535 N -4.03 2.64 0.86 -5.54 1.43 -1.26 -4.74 118.68 108.04 1aer s LEU 535 Ca 0.75 1.78 -0.12 0.00 -1.03 0.00 0.00 54.13 55.51 1aer s LEU 535 Cb -0.27 -4.29 0.11 0.00 0.03 0.00 0.00 46.19 41.77 1aer s LEU 535 CO 0.31 -2.55 1.11 -2.16 0.23 0.00 0.00 176.35 173.29 1aer s PRO 536 N -4.84 1.56 0.39 1.29 0.04 -1.26 -5.01 135.00 127.17 1aer s PRO 536 Ca 0.63 0.51 -0.27 0.00 0.04 0.00 0.00 61.00 61.92 1aer s PRO 536 Cb -0.19 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 1aer s PRO 536 CO 0.57 -1.96 1.40 -0.51 0.04 0.00 0.00 177.00 176.55 1aer s LEU 537 N -5.95 4.27 0.00 -3.56 1.43 -1.26 -5.00 118.68 108.61 1aer s LEU 537 Ca 0.62 2.87 0.00 0.00 -1.03 0.00 0.00 54.13 56.59 1aer s LEU 537 Cb -0.15 -3.78 0.00 0.00 0.03 0.00 0.00 46.19 42.29 1aer s LEU 537 CO 0.54 -0.88 0.00 0.54 0.23 0.00 0.00 176.35 176.78 1aer n ARG 538 N 0.30 0.00 -2.19 1.70 1.74 -1.26 -4.05 116.66 112.89 1aer n ARG 538 Ca 0.02 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.71 1aer n ARG 538 Cb 0.41 0.00 0.02 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 7.43 -4.20 0.55 4.77 -1.26 -3.25 117.00 121.04 1aer n LEU 539 Ca 0.00 -5.02 -0.12 0.00 -0.03 0.00 0.00 56.01 50.84 1aer n LEU 539 Cb 0.00 -1.13 -0.10 0.00 -2.33 0.00 0.00 43.42 39.86 1aer n LEU 539 CO 0.00 1.89 -0.22 -1.81 -1.33 0.00 0.00 177.39 175.92 1aer s ASP 540 N -1.03 0.19 -0.03 -1.43 1.01 -1.26 -4.63 116.67 109.48 1aer s ASP 540 Ca 0.47 -1.39 -0.15 0.00 0.71 0.00 0.00 52.55 52.19 1aer s ASP 540 Cb 0.32 0.39 0.03 0.00 1.01 0.00 0.00 42.92 44.67 1aer s ASP 540 CO -0.28 -0.86 0.33 0.00 0.21 0.00 0.00 175.17 174.58 1aer s ALA 541 N -4.13 -0.83 -0.04 5.23 0.00 -0.13 -1.03 121.76 120.82 1aer s ALA 541 Ca 0.39 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.84 1aer s ALA 541 Cb 0.07 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.16 1aer s ALA 541 CO 0.12 -0.25 -0.12 0.42 0.00 0.00 0.00 175.76 175.93 1aer s ILE 542 N -1.09 1.06 -0.13 0.00 -1.09 -0.72 -0.74 121.20 118.48 1aer s ILE 542 Ca -0.11 -0.48 0.01 0.00 -2.23 0.00 0.00 60.65 57.84 1aer s ILE 542 Cb -0.05 -0.94 -0.01 0.00 -1.58 0.00 0.00 42.46 39.89 1aer s ILE 542 CO 0.04 0.32 -0.17 -0.89 -1.23 0.00 0.00 174.94 173.01 1aer s THR 543 N 0.31 2.61 0.33 2.92 2.01 -0.87 -1.26 115.64 121.70 1aer s THR 543 Ca -0.07 -0.81 -0.17 0.00 0.31 0.00 0.00 61.69 60.95 1aer s THR 543 Cb -0.12 -2.07 0.03 0.00 0.01 0.00 0.00 72.50 70.36 1aer s THR 543 CO 0.02 0.53 0.72 -0.83 -0.69 0.00 0.00 174.62 174.38 1aer s GLY 544 N 0.46 0.28 0.41 4.40 0.00 -0.22 -2.15 107.32 110.51 1aer s GLY 544 Ca -0.12 -0.64 -0.26 0.00 0.00 0.00 0.00 44.72 43.69 1aer s GLY 544 CO 0.05 -0.29 1.41 -4.14 0.00 0.00 0.00 173.10 170.14 1aer s PRO 545 N -3.08 3.90 0.47 2.90 0.02 -1.26 -0.27 135.00 137.69 1aer s PRO 545 Ca 0.15 2.40 -0.22 0.00 0.02 0.00 0.00 61.00 63.36 1aer s PRO 545 Cb -0.05 -2.79 -0.07 0.00 0.02 0.00 0.00 34.50 31.61 1aer s PRO 545 CO 0.10 -0.64 1.13 -1.83 -0.33 0.00 0.00 177.00 175.44 1aer s GLU 546 N -2.27 3.72 0.40 5.54 -1.05 0.29 -4.53 118.70 120.81 1aer s GLU 546 Ca 0.57 1.68 0.21 0.00 -0.15 0.00 0.00 54.97 57.28 1aer s GLU 546 Cb -0.43 -2.31 1.20 0.00 -0.44 0.00 0.00 34.13 32.14 1aer s GLU 546 CO 0.57 -0.56 1.71 1.05 0.95 0.00 0.00 175.26 178.98 1aer h GLU 547 N 1.88 0.28 -3.03 -4.83 4.11 -1.94 -3.34 114.58 107.72 1aer h GLU 547 Ca -0.49 -0.02 -0.43 0.00 0.07 0.00 0.00 59.36 58.49 1aer h GLU 547 Cb 1.24 -0.06 -0.40 0.00 0.50 0.00 0.00 28.75 30.03 1aer h GLU 547 CO 0.60 0.19 -0.74 -1.83 0.07 0.00 0.00 179.01 177.30 1aer s GLU 548 N -5.45 0.06 0.00 1.06 -1.05 -1.26 -4.88 118.70 107.17 1aer s GLU 548 Ca -0.09 0.01 0.00 0.00 -0.15 0.00 0.00 54.97 54.74 1aer s GLU 548 Cb 0.27 -1.60 0.00 0.00 -0.44 0.00 0.00 34.13 32.36 1aer s GLU 548 CO 0.80 -0.62 0.00 0.41 0.95 0.00 0.00 175.26 176.80 1aer n GLY 549 N 5.29 1.47 2.94 -3.83 0.00 -1.26 -4.90 105.19 104.89 1aer n GLY 549 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1aer n GLY 549 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aer n GLY 550 N 0.00 2.79 3.80 -0.02 0.00 -1.25 -5.00 105.19 105.51 1aer n GLY 550 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1aer n GLY 550 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aer s ARG 551 N -0.16 2.93 -0.12 1.61 0.52 -1.26 -4.56 118.95 117.91 1aer s ARG 551 Ca 0.00 1.16 -0.13 0.00 -0.52 0.00 0.00 55.73 56.24 1aer s ARG 551 Cb 0.00 -1.98 -0.05 0.00 0.52 0.00 0.00 34.95 33.44 1aer s ARG 551 CO 0.00 -1.12 0.30 -0.51 0.02 0.00 0.00 175.30 173.99 1aer s LEU 552 N -5.12 4.31 0.10 2.53 1.43 -1.26 0.11 118.68 120.77 1aer s LEU 552 Ca 0.62 0.60 0.10 0.00 -1.03 0.00 0.00 54.13 54.42 1aer s LEU 552 Cb -0.16 -2.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 1aer s LEU 552 CO 0.46 0.19 -0.25 -1.83 0.23 0.00 0.00 176.35 175.15 1aer s GLU 553 N -0.06 1.45 -0.06 1.70 -1.05 0.63 -4.35 118.70 116.95 1aer s GLU 553 Ca 0.18 -1.22 0.05 0.00 -0.15 0.00 0.00 54.97 53.83 1aer s GLU 553 Cb -0.14 -1.79 -0.01 0.00 -0.44 0.00 0.00 34.13 31.75 1aer s GLU 553 CO 0.06 0.44 -0.22 0.99 0.95 0.00 0.00 175.26 177.48 1aer s THR 554 N -0.99 2.32 -0.15 1.83 2.01 -0.69 -1.05 115.64 118.92 1aer s THR 554 Ca 0.12 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.15 1aer s THR 554 Cb -0.10 -1.87 -0.01 0.00 0.01 0.00 0.00 72.50 70.53 1aer s THR 554 CO 0.04 0.57 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.77 1aer s ILE 555 N -0.19 2.76 -0.15 1.82 1.01 -0.39 -1.71 121.20 124.36 1aer s ILE 555 Ca -0.02 -0.74 -0.07 0.00 0.00 0.00 0.00 60.65 59.81 1aer s ILE 555 Cb -0.13 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 1aer s ILE 555 CO 0.03 0.52 0.11 -0.76 0.00 0.00 0.00 174.94 174.84 1aer s LEU 556 N 0.69 4.15 0.71 2.97 1.43 0.10 -1.76 118.68 126.98 1aer s LEU 556 Ca -0.07 0.31 -0.14 0.00 -1.03 0.00 0.00 54.13 53.19 1aer s LEU 556 Cb -0.16 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.07 1aer s LEU 556 CO 0.02 0.31 1.15 -0.83 0.23 0.00 0.00 176.35 177.23 1aer s GLY 557 N -0.45 2.17 0.27 -3.19 0.00 -0.20 -1.14 107.32 104.78 1aer s GLY 557 Ca 0.11 0.67 -0.01 0.00 0.00 0.00 0.00 44.72 45.49 1aer s GLY 557 CO 0.02 1.05 1.84 1.49 0.00 0.00 0.00 173.10 177.49 1aer h TRP 558 N -0.32 1.09 -0.84 1.90 4.06 -1.74 -0.70 115.95 119.39 1aer h TRP 558 Ca -0.47 0.03 0.06 0.00 2.06 0.00 0.00 58.89 60.58 1aer h TRP 558 Cb 1.27 -0.35 -0.05 0.00 -1.00 0.00 0.00 29.16 29.03 1aer h TRP 558 CO 0.51 0.46 0.55 -1.35 -3.56 0.00 0.00 178.44 175.06 1aer h PRO 559 N 0.98 0.91 -0.00 0.49 0.11 -1.83 -2.54 132.00 130.12 1aer h PRO 559 Ca 0.46 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.46 1aer h PRO 559 Cb 0.40 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.31 1aer h PRO 559 CO -0.24 0.60 -0.22 1.25 -0.21 0.00 0.00 178.00 179.17 1aer h LEU 560 N 0.94 0.20 -1.64 2.35 6.46 -1.42 -3.32 115.31 118.88 1aer h LEU 560 Ca 0.36 -0.78 0.11 0.00 -0.12 0.00 0.00 57.88 57.45 1aer h LEU 560 Cb 0.22 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.05 1aer h LEU 560 CO -0.13 0.95 0.42 0.00 -0.62 0.00 0.00 178.44 179.07 1aer h ALA 561 N 0.25 2.05 0.00 1.25 0.00 -0.94 -1.19 119.26 120.68 1aer h ALA 561 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1aer h ALA 561 Cb 0.99 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1aer h ALA 561 CO 0.04 -0.20 0.00 0.39 0.00 0.00 0.00 179.25 179.48 1aer n GLU 562 N -4.47 0.51 -0.25 0.00 1.02 -0.98 -3.12 120.64 113.36 1aer n GLU 562 Ca 0.11 0.02 0.08 0.00 -0.02 0.00 0.00 57.16 57.35 1aer n GLU 562 Cb 0.41 -1.50 0.19 0.00 -0.02 0.00 0.00 31.44 30.52 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 -1.21 2.30 -2.34 3.49 1.74 -0.45 -4.83 116.66 115.35 1aer n ARG 563 Ca 0.15 -2.58 -0.25 0.00 -0.77 0.00 0.00 57.85 54.40 1aer n ARG 563 Cb 0.18 -1.61 0.09 0.00 -1.02 0.00 0.00 32.46 30.10 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 -2.57 2.28 -0.08 0.55 -4.23 -1.18 -4.76 115.64 105.66 1aer s THR 564 Ca 0.34 -0.39 0.04 0.00 -1.18 0.00 0.00 61.69 60.50 1aer s THR 564 Cb 0.28 -2.89 0.00 0.00 1.34 0.00 0.00 72.50 71.22 1aer s THR 564 CO 0.07 0.00 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.25 1aer s VAL 565 N -3.21 1.80 -0.10 2.29 1.01 -0.78 -4.91 120.40 116.52 1aer s VAL 565 Ca 0.63 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.75 1aer s VAL 565 Cb -0.09 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.74 1aer s VAL 565 CO 0.44 0.50 -0.20 -0.69 0.00 0.00 0.00 175.10 175.16 1aer s VAL 566 N 0.30 1.76 0.21 2.92 1.01 -1.26 -0.28 120.40 125.06 1aer s VAL 566 Ca -0.14 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.08 1aer s VAL 566 Cb -0.16 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 1aer s VAL 566 CO 0.06 0.49 -0.13 0.27 0.00 0.00 0.00 175.10 175.80 1aer s ILE 567 N 0.58 1.70 0.80 2.22 -4.36 -0.48 -4.75 121.20 116.91 1aer s ILE 567 Ca -0.14 -2.19 -0.11 0.00 -0.26 0.00 0.00 60.65 57.94 1aer s ILE 567 Cb -0.17 -2.10 0.07 0.00 1.25 0.00 0.00 42.46 41.52 1aer s ILE 567 CO 0.05 -0.56 1.09 -2.84 0.24 0.00 0.00 174.94 172.92 1aer s PRO 568 N -3.66 2.01 0.36 0.37 0.02 -1.26 -0.31 135.00 132.52 1aer s PRO 568 Ca 0.23 1.03 0.04 0.00 0.02 0.00 0.00 61.00 62.33 1aer s PRO 568 Cb 0.00 -1.88 -0.01 0.00 0.02 0.00 0.00 34.50 32.63 1aer s PRO 568 CO 0.07 -1.78 0.52 0.45 -0.33 0.00 0.00 177.00 175.94 1aer s SER 569 N -3.45 6.00 0.00 2.53 0.15 -0.85 -4.52 113.70 113.56 1aer s SER 569 Ca 0.62 0.05 0.23 0.00 0.70 0.00 0.00 55.95 57.55 1aer s SER 569 Cb -0.17 -1.48 0.17 0.00 -1.71 0.00 0.00 66.02 62.83 1aer s SER 569 CO 0.56 -0.46 1.22 0.00 1.20 0.00 0.00 173.24 175.76 1aer n ALA 570 N -1.76 2.54 -2.62 5.45 0.00 -1.26 -4.86 120.51 118.00 1aer n ALA 570 Ca -0.01 -0.68 -0.42 0.00 0.00 0.00 0.00 53.44 52.32 1aer n ALA 570 Cb 0.58 -0.77 -0.04 0.00 0.00 0.00 0.00 19.45 19.21 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 -1.95 4.65 0.41 0.00 1.01 -1.26 -4.73 121.20 119.33 1aer s ILE 571 Ca 0.26 1.33 -0.10 0.00 0.00 0.00 0.00 60.65 62.14 1aer s ILE 571 Cb 0.19 -4.28 -0.06 0.00 0.01 0.00 0.00 42.46 38.32 1aer s ILE 571 CO 0.31 -0.40 0.77 -2.16 0.00 0.00 0.00 174.94 173.46 1aer s PRO 572 N 3.30 3.75 0.00 2.79 0.04 -1.26 -4.62 135.00 139.01 1aer s PRO 572 Ca 0.38 0.45 -0.03 0.00 0.04 0.00 0.00 61.00 61.84 1aer s PRO 572 Cb -0.13 -2.39 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 1aer s PRO 572 CO 0.15 -0.06 0.19 0.95 0.04 0.00 0.00 177.00 178.28 1aer s THR 573 N -2.41 5.42 -0.29 1.26 -4.23 -1.26 -5.05 115.64 109.08 1aer s THR 573 Ca 0.51 -0.16 -0.19 0.00 -1.18 0.00 0.00 61.69 60.67 1aer s THR 573 Cb -0.10 -3.55 -0.02 0.00 1.34 0.00 0.00 72.50 70.17 1aer s THR 573 CO 0.33 0.30 0.56 -0.62 -0.54 0.00 0.00 174.62 174.65 1aer s ASP 574 N -1.99 6.45 0.00 3.99 2.15 -1.26 -4.90 116.67 121.11 1aer s ASP 574 Ca 0.28 0.42 0.26 0.00 0.43 0.00 0.00 52.55 53.94 1aer s ASP 574 Cb -0.13 -2.30 1.33 0.00 -0.30 0.00 0.00 42.92 41.53 1aer s ASP 574 CO 0.20 -0.39 1.88 -0.81 -0.17 0.00 0.00 175.17 175.88 1aer n PRO 575 N 5.70 0.42 -0.14 4.34 -0.04 -1.26 -2.63 135.00 141.39 1aer n PRO 575 Ca -0.03 0.04 0.11 0.00 -0.04 0.00 0.00 63.50 63.58 1aer n PRO 575 Cb 0.49 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.63 1aer n PRO 575 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1aer n ARG 576 N -1.25 2.31 -2.85 0.54 1.74 -1.26 -4.51 116.66 111.37 1aer n ARG 576 Ca 0.13 -2.11 -0.11 0.00 -0.77 0.00 0.00 57.85 54.99 1aer n ARG 576 Cb 0.19 -1.46 0.05 0.00 -1.02 0.00 0.00 32.46 30.23 1aer n ARG 576 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1aer n ASN 577 N 1.32 -0.98 -4.63 0.55 4.05 -1.08 -5.09 115.26 109.39 1aer n ASN 577 Ca 0.17 -3.20 -0.43 0.00 0.45 0.00 0.00 54.58 51.57 1aer n ASN 577 Cb 0.56 0.81 -0.03 0.00 1.23 0.00 0.00 39.78 42.35 1aer n ASN 577 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1aer s VAL 578 N -0.86 3.44 0.00 3.44 1.01 -1.24 -0.45 120.40 125.74 1aer s VAL 578 Ca 0.28 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1aer s VAL 578 Cb 0.34 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1aer s VAL 578 CO -0.06 -0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.48 1aer n GLY 579 N 4.82 0.31 3.58 4.51 0.00 -1.26 -5.07 105.19 112.07 1aer n GLY 579 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1aer n GLY 579 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aer s GLY 580 N -1.56 1.55 0.44 -0.02 0.00 0.40 -5.02 107.32 103.10 1aer s GLY 580 Ca 0.00 -0.52 -0.06 0.00 0.00 0.00 0.00 44.72 44.13 1aer s GLY 580 CO 0.00 0.23 0.75 0.99 0.00 0.00 0.00 173.10 175.06 1aer s ASP 581 N -3.34 6.35 -0.18 1.64 1.01 -1.26 -4.83 116.67 116.06 1aer s ASP 581 Ca 0.68 0.94 -0.29 0.00 0.71 0.00 0.00 52.55 54.59 1aer s ASP 581 Cb -0.17 -2.25 -0.01 0.00 1.01 0.00 0.00 42.92 41.50 1aer s ASP 581 CO 0.59 -0.48 1.25 -0.22 0.21 0.00 0.00 175.17 176.52 1aer s LEU 582 N -4.36 4.15 -0.42 1.23 2.96 -1.26 -4.96 118.68 116.02 1aer s LEU 582 Ca 0.48 1.62 -0.29 0.00 -0.22 0.00 0.00 54.13 55.72 1aer s LEU 582 Cb -0.10 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.07 1aer s LEU 582 CO 0.39 -0.78 1.24 -0.62 -1.32 0.00 0.00 176.35 175.26 1aer s ASP 583 N 1.99 6.57 0.42 3.68 -1.08 -1.26 -4.88 116.67 122.12 1aer s ASP 583 Ca 0.54 0.75 0.27 0.00 -0.52 0.00 0.00 52.55 53.59 1aer s ASP 583 Cb -0.21 -2.54 1.46 0.00 -1.46 0.00 0.00 42.92 40.17 1aer s ASP 583 CO 0.15 -1.25 1.81 1.55 0.52 0.00 0.00 175.17 177.95 1aer h PRO 584 N 9.59 0.00 0.00 4.34 0.13 -1.99 -0.19 132.00 143.89 1aer h PRO 584 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1aer h PRO 584 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1aer h PRO 584 CO 1.09 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 179.29 1aer n SER 585 N -2.47 0.00 -1.04 1.44 7.64 -1.26 -2.71 113.62 115.23 1aer n SER 585 Ca -0.02 -0.22 0.12 0.00 1.01 0.00 0.00 58.87 59.77 1aer n SER 585 Cb 0.09 -0.24 0.18 0.00 -1.01 0.00 0.00 64.21 63.23 1aer n SER 585 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1aer n SER 586 N -1.24 3.15 -4.63 6.43 3.41 -0.08 -4.82 113.62 115.84 1aer n SER 586 Ca 0.14 -1.97 -0.41 0.00 -0.26 0.00 0.00 58.87 56.37 1aer n SER 586 Cb 0.20 -0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 63.96 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 -1.74 4.94 0.26 -1.33 1.01 -1.10 -4.46 121.20 118.79 1aer s ILE 587 Ca 0.34 1.19 -0.30 0.00 0.00 0.00 0.00 60.65 61.89 1aer s ILE 587 Cb 0.21 -3.99 -0.10 0.00 0.01 0.00 0.00 42.46 38.59 1aer s ILE 587 CO 0.31 -0.03 1.47 -2.84 0.00 0.00 0.00 174.94 173.85 1aer s PRO 588 N 2.62 4.23 0.52 2.79 0.02 -1.26 -4.84 135.00 139.07 1aer s PRO 588 Ca 0.28 2.37 0.17 0.00 0.02 0.00 0.00 61.00 63.84 1aer s PRO 588 Cb -0.15 -3.09 1.27 0.00 0.02 0.00 0.00 34.50 32.55 1aer s PRO 588 CO 0.09 -0.47 2.13 -0.44 -0.33 0.00 0.00 177.00 177.98 1aer h ASP 589 N 4.92 0.02 0.23 2.53 3.32 -1.95 0.12 116.42 125.61 1aer h ASP 589 Ca -0.46 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.54 1aer h ASP 589 Cb 1.22 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1aer h ASP 589 CO 0.78 0.01 -0.20 0.11 -1.72 0.00 0.00 179.24 178.21 1aer h LYS 590 N 0.02 0.00 0.19 3.56 1.79 -1.99 -2.06 116.57 118.08 1aer h LYS 590 Ca 0.03 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.15 1aer h LYS 590 Cb 0.09 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.76 1aer h LYS 590 CO -0.00 0.20 -1.69 1.49 -1.08 0.00 0.00 179.45 178.37 1aer h GLU 591 N 0.00 0.40 -0.65 3.15 4.81 -1.16 -3.34 114.58 117.79 1aer h GLU 591 Ca -0.00 -0.68 0.07 0.00 -0.13 0.00 0.00 59.36 58.62 1aer h GLU 591 Cb 0.37 0.25 -0.06 0.00 0.63 0.00 0.00 28.75 29.95 1aer h GLU 591 CO 0.03 1.31 0.35 0.37 -0.73 0.00 0.00 179.01 180.33 1aer h GLN 592 N 0.11 0.61 0.00 1.92 5.75 -1.14 -1.72 115.11 120.64 1aer h GLN 592 Ca -0.32 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.14 1aer h GLN 592 Cb 2.10 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 30.51 1aer h GLN 592 CO 0.19 0.41 0.00 0.00 -2.65 0.00 0.00 178.83 176.78 1aer n ALA 593 N -2.37 1.04 -1.28 3.38 0.00 -0.79 -1.24 120.51 119.25 1aer n ALA 593 Ca 0.08 0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.72 1aer n ALA 593 Cb 0.19 -1.19 0.13 0.00 0.00 0.00 0.00 19.45 18.58 1aer n ALA 593 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1aer n ILE 594 N -1.94 1.66 -1.54 0.00 -5.35 -0.65 -4.74 119.36 106.81 1aer n ILE 594 Ca -0.01 -2.10 0.07 0.00 -0.27 0.00 0.00 62.75 60.44 1aer n ILE 594 Cb 0.03 -0.12 0.16 0.00 -1.74 0.00 0.00 39.64 37.96 1aer n ILE 594 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1aer n SER 595 N -1.18 1.76 -4.75 7.28 7.64 -0.37 -4.98 113.62 119.01 1aer n SER 595 Ca 0.14 -3.39 -0.35 0.00 1.01 0.00 0.00 58.87 56.28 1aer n SER 595 Cb 0.66 -0.46 0.04 0.00 -1.01 0.00 0.00 64.21 63.44 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 -2.67 2.49 0.17 -0.43 0.00 -1.26 -5.02 121.76 115.03 1aer s ALA 596 Ca 0.34 0.95 0.06 0.00 0.00 0.00 0.00 51.96 53.31 1aer s ALA 596 Cb 0.33 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 1aer s ALA 596 CO -0.04 -1.25 0.08 -0.51 0.00 0.00 0.00 175.76 174.04 1aer s LEU 597 N -4.26 3.60 0.61 0.00 1.43 -1.26 -4.91 118.68 113.89 1aer s LEU 597 Ca 0.76 -0.24 -0.14 0.00 -1.03 0.00 0.00 54.13 53.48 1aer s LEU 597 Cb -0.29 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 1aer s LEU 597 CO 0.35 0.08 1.04 -2.84 0.23 0.00 0.00 176.35 175.21 1aer s PRO 598 N -3.02 3.39 -0.03 1.29 0.02 -1.26 -5.01 135.00 130.37 1aer s PRO 598 Ca 0.29 1.03 -0.27 0.00 0.02 0.00 0.00 61.00 62.08 1aer s PRO 598 Cb -0.10 -2.05 -0.03 0.00 0.02 0.00 0.00 34.50 32.34 1aer s PRO 598 CO 0.21 -0.74 0.85 0.34 -0.33 0.00 0.00 177.00 177.33 1aer s ASP 599 N -3.27 7.19 0.19 2.53 -1.08 -1.26 -5.05 116.67 115.93 1aer s ASP 599 Ca 0.60 1.44 0.01 0.00 -0.52 0.00 0.00 52.55 54.08 1aer s ASP 599 Cb -0.14 -2.50 -0.04 0.00 -1.46 0.00 0.00 42.92 38.79 1aer s ASP 599 CO 0.42 -0.20 0.36 -0.31 0.52 0.00 0.00 175.17 175.96 1aer s TYR 600 N 0.92 3.48 0.26 -5.34 2.02 -1.26 -5.07 117.35 112.36 1aer s TYR 600 Ca 0.45 0.22 -0.30 0.00 -0.37 0.00 0.00 57.07 57.08 1aer s TYR 600 Cb -0.19 -1.76 -0.09 0.00 -0.40 0.00 0.00 41.96 39.51 1aer s TYR 600 CO 0.23 0.42 1.00 0.00 -1.57 0.00 0.00 175.55 175.63 1aer s ALA 601 N -1.86 3.35 -1.73 3.71 0.00 -1.17 -4.73 121.76 119.35 1aer s ALA 601 Ca 0.37 0.72 0.17 0.00 0.00 0.00 0.00 51.96 53.21 1aer s ALA 601 Cb -0.11 -3.25 0.04 0.00 0.00 0.00 0.00 23.12 19.80 1aer s ALA 601 CO 0.29 0.07 0.93 -1.13 0.00 0.00 0.00 175.76 175.92 1aer n SER 602 N 1.32 1.90 -4.44 0.00 3.41 -1.26 -0.58 113.62 113.97 1aer n SER 602 Ca -0.01 -1.45 -0.29 0.00 -0.26 0.00 0.00 58.87 56.85 1aer n SER 602 Cb 0.46 0.33 -0.12 0.00 -0.26 0.00 0.00 64.21 64.62 1aer n SER 602 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1aer s GLN 603 N -1.81 1.69 0.93 4.33 -0.21 -1.26 -4.87 119.66 118.46 1aer s GLN 603 Ca 0.16 -1.21 -0.13 0.00 0.02 0.00 0.00 55.36 54.20 1aer s GLN 603 Cb 0.14 -2.04 0.03 0.00 1.00 0.00 0.00 33.01 32.14 1aer s GLN 603 CO 0.36 0.48 0.43 -2.30 -2.12 0.00 0.00 175.29 172.14 1aer n PRO 604 N 1.00 -0.24 -2.34 2.91 -0.02 -1.26 -4.88 135.00 130.16 1aer n PRO 604 Ca -0.17 -0.03 -0.42 0.00 -2.02 0.00 0.00 63.50 60.87 1aer n PRO 604 Cb 0.53 -1.87 -0.03 0.00 -0.02 0.00 0.00 33.50 32.11 1aer n PRO 604 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1aer s GLY 605 N -1.98 2.27 0.40 -1.23 0.00 -1.22 -5.02 107.32 100.53 1aer s GLY 605 Ca 0.58 0.94 -0.21 0.00 0.00 0.00 0.00 44.72 46.03 1aer s GLY 605 CO 0.67 2.14 0.92 0.54 0.00 0.00 0.00 173.10 177.36 1aer s LYS 606 N 1.08 4.24 0.13 2.90 1.02 -1.26 -4.96 119.74 122.89 1aer s LYS 606 Ca 0.61 1.08 -0.33 0.00 0.02 0.00 0.00 55.97 57.34 1aer s LYS 606 Cb -0.32 -2.29 -0.13 0.00 -0.52 0.00 0.00 37.83 34.57 1aer s LYS 606 CO 0.29 0.03 1.67 -0.35 -0.92 0.00 0.00 175.35 176.08 1aer n PRO 607 N -0.46 2.32 -1.37 -1.68 -0.04 -1.26 -4.87 135.00 127.65 1aer n PRO 607 Ca 0.06 0.84 -0.41 0.00 -0.04 0.00 0.00 63.50 63.95 1aer n PRO 607 Cb 0.53 -2.65 0.01 0.00 -0.04 0.00 0.00 33.50 31.36 1aer n PRO 607 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1aer n PRO 608 N 4.16 0.27 0.00 0.54 -0.04 -1.26 -5.33 135.00 133.34 1aer n PRO 608 Ca 0.18 0.10 0.15 0.00 -0.04 0.00 0.00 63.50 63.89 1aer n PRO 608 Cb 0.31 -1.29 0.82 0.00 -0.04 0.00 0.00 33.50 33.30 1aer n PRO 608 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33