#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aug s GLU 422 N 0.00 0.52 -0.14 2.12 2.12 -1.26 -4.59 118.70 117.46 1aug s GLU 422 Ca 0.00 1.31 -0.01 0.00 0.36 0.00 0.00 54.97 56.63 1aug s GLU 422 Cb 0.00 0.70 -0.02 0.00 0.26 0.00 0.00 34.13 35.08 1aug s GLU 422 CO 0.00 -0.26 -0.11 0.15 -0.54 0.00 0.00 175.26 174.51 1aug s LYS 423 N 2.83 3.43 -0.12 4.30 -0.14 0.27 -5.01 119.74 125.30 1aug s LYS 423 Ca -0.02 -0.65 -0.24 0.00 -1.36 0.00 0.00 55.97 53.70 1aug s LYS 423 Cb -0.12 -2.72 -0.03 0.00 -1.68 0.00 0.00 37.83 33.28 1aug s LYS 423 CO -0.18 0.17 0.73 0.21 -0.76 0.00 0.00 175.35 175.53 1aug s LYS 424 N 0.48 4.35 -0.19 1.68 2.47 -1.26 -1.70 119.74 125.56 1aug s LYS 424 Ca -0.08 0.88 0.00 0.00 -1.56 0.00 0.00 55.97 55.21 1aug s LYS 424 Cb -0.15 -3.51 0.02 0.00 -1.46 0.00 0.00 37.83 32.72 1aug s LYS 424 CO 0.04 -0.11 -0.16 0.08 0.16 0.00 0.00 175.35 175.35 1aug s VAL 425 N 1.42 2.32 -0.18 4.02 1.01 -0.08 -0.82 120.40 128.09 1aug s VAL 425 Ca 0.36 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 1aug s VAL 425 Cb -0.17 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1aug s VAL 425 CO 0.15 0.47 0.32 -0.22 0.00 0.00 0.00 175.10 175.82 1aug s LEU 426 N 1.31 4.21 -0.06 3.92 0.20 -0.51 -0.60 118.68 127.15 1aug s LEU 426 Ca 0.04 0.49 0.05 0.00 0.69 0.00 0.00 54.13 55.40 1aug s LEU 426 Cb -0.14 -2.41 -0.02 0.00 -0.43 0.00 0.00 46.19 43.20 1aug s LEU 426 CO -0.11 0.04 -0.20 -0.76 -0.29 0.00 0.00 176.35 175.03 1aug s LEU 427 N 0.78 2.35 0.13 -0.68 1.43 -0.34 -0.39 118.68 121.97 1aug s LEU 427 Ca 0.17 -0.39 0.10 0.00 -1.03 0.00 0.00 54.13 52.98 1aug s LEU 427 Cb -0.14 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 1aug s LEU 427 CO 0.05 0.27 -0.25 0.42 0.23 0.00 0.00 176.35 177.07 1aug s THR 428 N -0.31 2.13 0.08 5.49 -4.23 -0.78 -1.31 115.64 116.71 1aug s THR 428 Ca 0.01 -1.73 0.01 0.00 -1.18 0.00 0.00 61.69 58.81 1aug s THR 428 Cb -0.13 -1.90 -0.04 0.00 1.34 0.00 0.00 72.50 71.78 1aug s THR 428 CO 0.02 0.03 -0.06 -0.83 -0.54 0.00 0.00 174.62 173.24 1aug s GLY 429 N -2.08 0.67 0.31 3.99 0.00 -1.10 -0.63 107.32 108.49 1aug s GLY 429 Ca 0.13 -1.21 -0.00 0.00 0.00 0.00 0.00 44.72 43.64 1aug s GLY 429 CO 0.06 -1.31 0.52 -1.36 0.00 0.00 0.00 173.10 171.01 1aug s PHE 430 N -3.22 3.49 1.03 1.90 0.08 -1.25 -2.03 117.98 117.99 1aug s PHE 430 Ca 0.07 0.36 -0.16 0.00 0.12 0.00 0.00 56.93 57.31 1aug s PHE 430 Cb 0.03 -1.89 0.21 0.00 -0.57 0.00 0.00 43.02 40.80 1aug s PHE 430 CO -0.04 0.18 1.20 0.16 -0.10 0.00 0.00 175.22 176.62 1aug s ASP 431 N -3.81 2.48 0.59 1.36 -4.77 -1.10 -3.74 116.67 107.68 1aug s ASP 431 Ca 0.40 0.59 -0.17 0.00 -3.30 0.00 0.00 52.55 50.07 1aug s ASP 431 Cb -0.10 -0.85 -0.03 0.00 -1.09 0.00 0.00 42.92 40.85 1aug s ASP 431 CO 0.34 -3.15 1.10 -2.16 0.70 0.00 0.00 175.17 171.99 1aug s PRO 432 N -5.55 3.18 0.18 2.11 0.04 -1.26 -4.61 135.00 129.09 1aug s PRO 432 Ca 0.70 1.41 -0.16 0.00 0.04 0.00 0.00 61.00 62.99 1aug s PRO 432 Cb -0.09 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.47 1aug s PRO 432 CO 0.54 -0.95 0.46 0.12 0.04 0.00 0.00 177.00 177.21 1aug s PHE 433 N -2.17 -0.03 -1.24 0.56 5.36 -1.26 -4.89 117.98 114.31 1aug s PHE 433 Ca 0.68 -0.32 -0.27 0.00 -0.96 0.00 0.00 56.93 56.06 1aug s PHE 433 Cb -0.20 0.29 0.03 0.00 -0.34 0.00 0.00 43.02 42.80 1aug s PHE 433 CO 0.34 -0.86 0.63 0.41 -1.46 0.00 0.00 175.22 174.28 1aug n GLY 434 N -0.30 -0.77 0.00 13.12 0.00 -1.26 -1.83 105.19 114.15 1aug n GLY 434 Ca -0.10 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1aug n GLY 434 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aug n GLY 435 N -2.05 2.75 3.33 -0.02 0.00 -1.26 -5.04 105.19 102.90 1aug n GLY 435 Ca -0.14 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 1aug n GLY 435 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1aug n GLU 436 N 0.00 0.12 0.00 1.61 -0.58 -0.76 -4.95 120.64 116.08 1aug n GLU 436 Ca 0.00 0.07 0.07 0.00 -0.42 0.00 0.00 57.16 56.88 1aug n GLU 436 Cb 0.00 -1.53 -0.01 0.00 -0.57 0.00 0.00 31.44 29.34 1aug n GLU 436 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1aug n THR 437 N -2.38 0.00 -3.84 2.62 -2.24 -1.26 -4.28 114.28 102.90 1aug n THR 437 Ca 0.07 -0.34 -0.13 0.00 -2.27 0.00 0.00 64.05 61.39 1aug n THR 437 Cb 0.51 1.16 -0.14 0.00 -2.10 0.00 0.00 70.33 69.75 1aug n THR 437 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1aug s VAL 438 N -1.80 -0.01 -0.34 2.28 -7.23 -1.26 -4.84 120.40 107.20 1aug s VAL 438 Ca 0.11 0.05 -0.05 0.00 -1.81 0.00 0.00 61.98 60.28 1aug s VAL 438 Cb 0.12 -0.08 0.05 0.00 0.56 0.00 0.00 36.38 37.03 1aug s VAL 438 CO 0.38 0.02 0.08 0.21 -0.31 0.00 0.00 175.10 175.48 1aug s ASN 439 N 0.27 5.18 0.52 4.85 3.84 -1.26 -4.77 114.94 123.57 1aug s ASN 439 Ca -0.02 -1.29 0.38 0.00 0.21 0.00 0.00 52.86 52.14 1aug s ASN 439 Cb -0.03 -1.82 1.55 0.00 -0.55 0.00 0.00 41.25 40.40 1aug s ASN 439 CO -0.01 -0.33 1.72 -0.65 -2.79 0.00 0.00 177.10 175.04 1aug h PRO 440 N 8.14 0.05 -0.58 0.43 0.11 -1.94 -1.86 132.00 136.33 1aug h PRO 440 Ca -0.21 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.79 1aug h PRO 440 Cb 1.07 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1aug h PRO 440 CO 0.59 0.03 -0.02 0.66 -0.21 0.00 0.00 178.00 179.05 1aug h SER 441 N 0.05 1.02 -0.09 -2.05 4.64 -1.90 -1.37 113.55 113.85 1aug h SER 441 Ca 0.70 -0.30 -0.12 0.00 -0.47 0.00 0.00 61.79 61.60 1aug h SER 441 Cb 2.63 -0.27 0.01 0.00 -0.31 0.00 0.00 62.40 64.45 1aug h SER 441 CO -0.08 1.08 -0.43 -0.25 -0.87 0.00 0.00 176.83 176.28 1aug h TRP 442 N 0.94 0.60 -0.85 4.77 -0.00 -1.53 -2.17 115.95 117.72 1aug h TRP 442 Ca 0.16 -0.26 0.06 0.00 -0.00 0.00 0.00 58.89 58.85 1aug h TRP 442 Cb 0.57 -0.09 -0.06 0.00 -0.00 0.00 0.00 29.16 29.58 1aug h TRP 442 CO 0.04 1.03 0.52 0.93 -0.00 0.00 0.00 178.44 180.96 1aug h GLU 443 N 0.00 0.92 -0.16 2.65 4.39 -1.28 -0.10 114.58 121.01 1aug h GLU 443 Ca -0.03 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.53 1aug h GLU 443 Cb 1.08 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.52 1aug h GLU 443 CO 0.09 0.61 -0.24 0.00 -1.16 0.00 0.00 179.01 178.31 1aug h ALA 444 N 1.41 0.24 -0.07 3.43 0.00 -1.30 -3.25 119.26 119.72 1aug h ALA 444 Ca 0.37 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1aug h ALA 444 Cb 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1aug h ALA 444 CO -0.18 0.21 -0.61 -0.39 0.00 0.00 0.00 179.25 178.28 1aug h VAL 445 N 0.07 1.39 -0.87 0.00 -1.51 -1.02 -3.15 116.25 111.15 1aug h VAL 445 Ca 0.01 -2.00 0.09 0.00 -1.23 0.00 0.00 66.70 63.57 1aug h VAL 445 Cb 0.82 2.02 -0.06 0.00 -2.13 0.00 0.00 31.29 31.93 1aug h VAL 445 CO 0.06 0.59 0.57 0.50 -1.23 0.00 0.00 177.57 178.05 1aug h LYS 446 N 0.18 0.86 -0.01 5.19 3.64 -1.13 -1.39 116.57 123.91 1aug h LYS 446 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1aug h LYS 446 Cb 1.12 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1aug h LYS 446 CO 0.10 0.57 0.00 2.89 -2.27 0.00 0.00 179.45 180.73 1aug n ARG 447 N -4.52 1.09 0.00 1.90 1.85 -1.19 -2.25 116.66 113.54 1aug n ARG 447 Ca 0.14 -0.13 0.10 0.00 -1.00 0.00 0.00 57.85 56.97 1aug n ARG 447 Cb 0.29 -1.42 0.04 0.00 -1.05 0.00 0.00 32.46 30.31 1aug n ARG 447 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1aug n LEU 448 N -0.77 2.31 -4.68 2.89 4.32 -0.53 -4.89 117.00 115.65 1aug n LEU 448 Ca 0.20 -0.87 -0.42 0.00 -0.02 0.00 0.00 56.01 54.90 1aug n LEU 448 Cb 0.13 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.90 1aug n LEU 448 CO 0.15 0.41 1.37 0.21 -1.22 0.00 0.00 177.39 178.31 1aug s ASN 449 N -2.06 6.59 0.00 -1.43 3.04 -0.96 -1.09 114.94 119.03 1aug s ASN 449 Ca 0.21 2.48 0.00 0.00 0.04 0.00 0.00 52.86 55.59 1aug s ASN 449 Cb 0.17 -2.56 0.00 0.00 -1.54 0.00 0.00 41.25 37.32 1aug s ASN 449 CO 0.40 -0.91 0.00 0.61 -3.04 0.00 0.00 177.10 174.16 1aug n GLY 450 N 4.08 1.31 3.76 1.21 0.00 0.29 -4.99 105.19 110.86 1aug n GLY 450 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1aug n GLY 450 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aug s ALA 451 N -2.83 2.90 -0.10 4.61 0.00 -0.25 -4.74 121.76 121.34 1aug s ALA 451 Ca 0.00 1.04 0.02 0.00 0.00 0.00 0.00 51.96 53.02 1aug s ALA 451 Cb 0.00 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.70 1aug s ALA 451 CO 0.00 -0.88 -0.14 0.00 0.00 0.00 0.00 175.76 174.74 1aug s ALA 452 N -1.49 1.54 -0.08 0.00 0.00 -1.26 -1.35 121.76 119.11 1aug s ALA 452 Ca 0.67 -0.62 -0.03 0.00 0.00 0.00 0.00 51.96 51.97 1aug s ALA 452 Cb -0.32 -0.76 0.04 0.00 0.00 0.00 0.00 23.12 22.09 1aug s ALA 452 CO 0.38 -0.04 0.16 -1.21 0.00 0.00 0.00 175.76 175.05 1aug s GLU 453 N 0.94 0.06 4.67 0.00 0.41 -0.27 -5.00 118.70 119.51 1aug s GLU 453 Ca -0.08 0.50 0.00 0.00 -0.41 0.00 0.00 54.97 54.98 1aug s GLU 453 Cb -0.15 -0.23 0.00 0.00 -1.78 0.00 0.00 34.13 31.97 1aug s GLU 453 CO -0.00 -0.26 0.00 0.41 -0.49 0.00 0.00 175.26 174.92 1aug n GLY 454 N 4.94 2.91 0.12 -1.39 0.00 -1.26 -0.81 105.19 109.69 1aug n GLY 454 Ca -0.12 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 45.85 1aug n GLY 454 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1aug n PRO 455 N 14.00 0.17 -3.17 1.61 -0.02 -1.26 -4.85 135.00 141.48 1aug n PRO 455 Ca 0.00 0.42 -0.39 0.00 -2.02 0.00 0.00 63.50 61.51 1aug n PRO 455 Cb 0.00 -1.84 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 1aug n PRO 455 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aug s ALA 456 N -3.30 3.50 -0.17 3.55 0.00 0.01 -0.57 121.76 124.78 1aug s ALA 456 Ca 0.04 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.12 1aug s ALA 456 Cb 0.09 -2.77 0.02 0.00 0.00 0.00 0.00 23.12 20.46 1aug s ALA 456 CO 0.37 0.25 -0.19 0.45 0.00 0.00 0.00 175.76 176.63 1aug s SER 457 N -0.61 3.07 -0.11 0.00 0.15 -0.69 -1.11 113.70 114.39 1aug s SER 457 Ca 0.32 -0.63 -0.02 0.00 0.70 0.00 0.00 55.95 56.33 1aug s SER 457 Cb -0.20 -1.44 -0.03 0.00 -1.71 0.00 0.00 66.02 62.65 1aug s SER 457 CO 0.20 -0.00 -0.04 -0.63 1.20 0.00 0.00 173.24 173.96 1aug s ILE 458 N 1.29 3.93 0.12 6.45 1.01 -0.46 -0.90 121.20 132.64 1aug s ILE 458 Ca 0.04 -0.37 0.07 0.00 0.00 0.00 0.00 60.65 60.39 1aug s ILE 458 Cb -0.13 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 1aug s ILE 458 CO -0.12 0.56 -0.16 0.68 0.00 0.00 0.00 174.94 175.89 1aug s VAL 459 N -0.36 1.46 -0.03 2.92 -7.23 0.23 -0.55 120.40 116.85 1aug s VAL 459 Ca 0.06 -1.65 0.03 0.00 -1.81 0.00 0.00 61.98 58.60 1aug s VAL 459 Cb -0.12 -1.52 0.00 0.00 0.56 0.00 0.00 36.38 35.30 1aug s VAL 459 CO 0.02 -0.29 -0.11 -0.44 -0.31 0.00 0.00 175.10 173.97 1aug s SER 460 N -2.27 1.41 0.08 4.85 0.01 -1.26 -1.19 113.70 115.32 1aug s SER 460 Ca 0.08 -0.22 0.05 0.00 1.31 0.00 0.00 55.95 57.17 1aug s SER 460 Cb -0.07 -0.35 -0.03 0.00 0.21 0.00 0.00 66.02 65.78 1aug s SER 460 CO 0.04 0.09 -0.15 -1.61 0.41 0.00 0.00 173.24 172.02 1aug s GLU 461 N 0.11 0.85 -0.09 12.44 0.41 -0.43 -4.95 118.70 127.05 1aug s GLU 461 Ca -0.02 -0.98 -0.12 0.00 -0.41 0.00 0.00 54.97 53.44 1aug s GLU 461 Cb -0.09 -0.89 -0.05 0.00 -1.78 0.00 0.00 34.13 31.33 1aug s GLU 461 CO 0.01 0.20 0.27 -1.14 -0.49 0.00 0.00 175.26 174.11 1aug s GLN 462 N -1.77 3.84 -0.07 1.61 0.74 -1.26 -2.70 119.66 120.05 1aug s GLN 462 Ca -0.01 0.11 0.04 0.00 0.05 0.00 0.00 55.36 55.55 1aug s GLN 462 Cb -0.10 -3.27 -0.02 0.00 1.10 0.00 0.00 33.01 30.72 1aug s GLN 462 CO 0.02 0.59 -0.17 0.08 -0.55 0.00 0.00 175.29 175.27 1aug s VAL 463 N -0.62 2.75 0.45 1.34 1.01 -0.86 -4.97 120.40 119.50 1aug s VAL 463 Ca 0.18 -0.82 -0.23 0.00 0.00 0.00 0.00 61.98 61.11 1aug s VAL 463 Cb -0.14 -2.07 -0.08 0.00 0.00 0.00 0.00 36.38 34.10 1aug s VAL 463 CO 0.07 0.57 1.16 -2.16 0.00 0.00 0.00 175.10 174.74 1aug s PRO 464 N -0.33 3.79 -1.37 2.72 0.04 -1.26 -2.71 135.00 135.88 1aug s PRO 464 Ca 0.02 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 1aug s PRO 464 Cb -0.13 -2.42 0.10 0.00 0.04 0.00 0.00 34.50 32.09 1aug s PRO 464 CO 0.02 -0.52 2.08 2.41 0.04 0.00 0.00 177.00 181.03 1aug n THR 465 N -0.44 3.99 -3.75 1.26 -1.04 -1.26 -4.34 114.28 108.69 1aug n THR 465 Ca 0.07 -3.74 -0.15 0.00 -2.04 0.00 0.00 64.05 58.18 1aug n THR 465 Cb 0.48 -2.46 -0.16 0.00 -1.82 0.00 0.00 70.33 66.37 1aug n THR 465 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1aug s VAL 466 N 1.60 -0.07 0.48 12.58 1.01 -1.26 -1.84 120.40 132.89 1aug s VAL 466 Ca 0.44 0.24 -0.24 0.00 0.00 0.00 0.00 61.98 62.42 1aug s VAL 466 Cb 0.12 -0.14 -0.07 0.00 0.00 0.00 0.00 36.38 36.29 1aug s VAL 466 CO -0.04 0.10 1.39 0.49 0.00 0.00 0.00 175.10 177.04 1aug n PHE 467 N 4.39 2.50 0.00 5.22 3.72 -1.26 -2.00 117.46 130.03 1aug n PHE 467 Ca -0.23 0.44 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 1aug n PHE 467 Cb 0.50 -2.42 0.00 0.00 -0.94 0.00 0.00 39.48 36.63 1aug n PHE 467 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1aug n TYR 468 N -0.49 0.00 -0.23 1.38 4.01 -1.26 -4.47 117.16 116.10 1aug n TYR 468 Ca 0.07 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.78 1aug n TYR 468 Cb 0.42 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.53 1aug n TYR 468 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1aug h LYS 469 N 0.00 0.74 -0.99 -0.72 3.64 -1.96 -2.58 116.57 114.69 1aug h LYS 469 Ca 0.00 -0.04 0.20 0.00 -1.27 0.00 0.00 60.65 59.53 1aug h LYS 469 Cb 0.00 -0.17 -0.10 0.00 -0.41 0.00 0.00 32.23 31.56 1aug h LYS 469 CO 0.00 0.49 0.62 0.66 -2.27 0.00 0.00 179.45 178.94 1aug h SER 470 N 0.76 0.69 0.31 4.20 4.64 -1.60 -0.90 113.55 121.65 1aug h SER 470 Ca 0.28 0.09 -0.14 0.00 -0.47 0.00 0.00 61.79 61.55 1aug h SER 470 Cb 0.08 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1aug h SER 470 CO -0.13 0.24 -0.55 -0.07 -0.87 0.00 0.00 176.83 175.45 1aug h LEU 471 N 0.67 0.29 -0.15 5.97 4.07 -1.74 -1.01 115.31 123.41 1aug h LEU 471 Ca 0.56 -0.15 -0.09 0.00 0.08 0.00 0.00 57.88 58.27 1aug h LEU 471 Cb 1.00 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.65 1aug h LEU 471 CO -0.34 0.79 -0.27 0.00 -1.08 0.00 0.00 178.44 177.54 1aug h ALA 472 N 1.22 0.24 -0.93 1.53 0.00 -1.08 -1.40 119.26 118.84 1aug h ALA 472 Ca 0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1aug h ALA 472 Cb 1.04 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1aug h ALA 472 CO 0.09 0.24 0.57 0.28 0.00 0.00 0.00 179.25 180.42 1aug h VAL 473 N 0.07 1.25 -0.41 0.00 2.07 -1.25 -2.20 116.25 115.79 1aug h VAL 473 Ca 0.01 -0.53 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 1aug h VAL 473 Cb 0.86 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1aug h VAL 473 CO 0.06 0.26 0.03 0.25 0.02 0.00 0.00 177.57 178.19 1aug h LEU 474 N 1.27 0.69 -1.06 2.57 5.85 -0.97 -1.89 115.31 121.77 1aug h LEU 474 Ca 0.33 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1aug h LEU 474 Cb -0.07 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 1aug h LEU 474 CO -0.06 0.80 0.63 0.03 -0.34 0.00 0.00 178.44 179.50 1aug h ARG 475 N 0.55 1.22 -0.69 1.25 3.08 -0.91 -0.28 114.38 118.60 1aug h ARG 475 Ca 0.12 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 1aug h ARG 475 Cb 0.43 -0.28 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1aug h ARG 475 CO 0.02 0.81 0.28 0.93 -1.07 0.00 0.00 179.97 180.93 1aug h GLU 476 N 1.26 1.03 -0.41 0.04 4.39 -1.24 -1.94 114.58 117.71 1aug h GLU 476 Ca 0.37 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.81 1aug h GLU 476 Cb -0.08 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.39 1aug h GLU 476 CO -0.10 0.86 -0.05 0.00 -1.16 0.00 0.00 179.01 178.56 1aug h ALA 477 N 1.13 1.16 -0.56 3.43 0.00 -0.46 -1.44 119.26 122.52 1aug h ALA 477 Ca 0.23 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1aug h ALA 477 Cb 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1aug h ALA 477 CO -0.02 0.54 -0.04 0.82 0.00 0.00 0.00 179.25 180.55 1aug h ILE 478 N 0.63 1.27 -0.13 0.00 2.04 -0.65 -1.57 117.51 119.10 1aug h ILE 478 Ca 0.12 -1.18 -0.02 0.00 1.00 0.00 0.00 64.86 64.78 1aug h ILE 478 Cb 0.47 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1aug h ILE 478 CO 0.02 0.42 0.01 0.11 0.00 0.00 0.00 178.15 178.72 1aug h LYS 479 N 0.89 0.23 -0.46 2.37 6.56 -1.05 -0.28 116.57 124.82 1aug h LYS 479 Ca 0.15 -0.07 -0.05 0.00 -1.06 0.00 0.00 60.65 59.63 1aug h LYS 479 Cb 0.59 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 32.21 1aug h LYS 479 CO 0.04 0.44 0.09 -0.22 -2.06 0.00 0.00 179.45 177.73 1aug h LYS 480 N -0.02 0.75 0.00 3.15 3.64 -1.28 -3.34 116.57 119.48 1aug h LYS 480 Ca 0.04 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1aug h LYS 480 Cb 0.33 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1aug h LYS 480 CO 0.00 0.76 -1.40 0.72 -2.27 0.00 0.00 179.45 177.26 1aug n HIS 481 N -4.47 0.10 -3.96 1.91 8.25 -0.59 -5.02 115.22 111.43 1aug n HIS 481 Ca 0.01 0.03 -0.37 0.00 -0.26 0.00 0.00 57.72 57.13 1aug n HIS 481 Cb 0.24 -0.34 0.01 0.00 1.12 0.00 0.00 29.99 31.01 1aug n HIS 481 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1aug n GLN 482 N -1.96 -1.10 -2.16 -0.41 1.13 -0.12 -4.92 117.38 107.85 1aug n GLN 482 Ca 0.00 0.25 -0.32 0.00 -1.94 0.00 0.00 57.00 54.98 1aug n GLN 482 Cb 0.46 -3.46 -0.00 0.00 0.11 0.00 0.00 30.24 27.34 1aug n GLN 482 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1aug s PRO 483 N -6.84 3.54 0.04 -1.09 0.04 -1.26 -4.90 135.00 124.53 1aug s PRO 483 Ca 0.35 1.10 0.12 0.00 0.04 0.00 0.00 61.00 62.61 1aug s PRO 483 Cb -0.17 -2.07 -0.19 0.00 0.04 0.00 0.00 34.50 32.12 1aug s PRO 483 CO 0.93 -0.62 0.91 -0.44 0.04 0.00 0.00 177.00 177.82 1aug h ASP 484 N 0.56 0.00 -3.64 6.66 3.32 -1.33 -3.46 116.42 118.53 1aug h ASP 484 Ca -0.47 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.28 1aug h ASP 484 Cb 1.21 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.44 1aug h ASP 484 CO 0.59 0.88 -0.74 -0.63 -1.72 0.00 0.00 179.24 177.62 1aug s ILE 485 N -2.71 0.15 -0.09 0.35 1.01 -0.91 -1.76 121.20 117.23 1aug s ILE 485 Ca -0.02 0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.67 1aug s ILE 485 Cb 0.09 -0.20 0.01 0.00 0.01 0.00 0.00 42.46 42.36 1aug s ILE 485 CO 0.82 0.09 -0.20 -0.63 0.00 0.00 0.00 174.94 175.02 1aug s ILE 486 N 0.52 1.77 -0.19 2.92 1.01 -0.17 -1.42 121.20 125.63 1aug s ILE 486 Ca -0.05 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1aug s ILE 486 Cb -0.08 -1.55 0.05 0.00 0.01 0.00 0.00 42.46 40.89 1aug s ILE 486 CO -0.01 0.49 -0.07 -0.63 0.00 0.00 0.00 174.94 174.72 1aug s ILE 487 N 0.52 1.38 -0.01 2.92 1.01 0.47 -2.01 121.20 125.48 1aug s ILE 487 Ca -0.16 -0.89 -0.12 0.00 0.00 0.00 0.00 60.65 59.48 1aug s ILE 487 Cb -0.17 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 1aug s ILE 487 CO 0.06 0.09 0.35 0.00 0.00 0.00 0.00 174.94 175.44 1aug s VAL 489 N -1.12 1.29 0.09 0.00 1.01 0.20 -1.32 120.40 120.55 1aug s VAL 489 Ca 0.23 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 1aug s VAL 489 Cb -0.15 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 1aug s VAL 489 CO 0.12 0.37 0.11 -0.83 0.00 0.00 0.00 175.10 174.87 1aug s GLY 490 N -0.34 0.36 -0.08 4.51 0.00 -0.85 -3.85 107.32 107.08 1aug s GLY 490 Ca 0.05 -0.95 -0.24 0.00 0.00 0.00 0.00 44.72 43.58 1aug s GLY 490 CO -0.00 -1.05 0.73 1.62 0.00 0.00 0.00 173.10 174.39 1aug s GLN 491 N -3.91 4.42 -0.71 2.90 0.74 -1.26 -0.82 119.66 121.02 1aug s GLN 491 Ca 0.09 0.92 0.01 0.00 0.05 0.00 0.00 55.36 56.43 1aug s GLN 491 Cb 0.06 -3.47 0.17 0.00 1.10 0.00 0.00 33.01 30.88 1aug s GLN 491 CO -0.08 0.00 0.52 0.00 -0.55 0.00 0.00 175.29 175.18 1aug s ALA 492 N 1.00 3.79 0.15 1.58 0.00 0.76 -4.83 121.76 124.21 1aug s ALA 492 Ca 0.38 -3.60 -0.34 0.00 0.00 0.00 0.00 51.96 48.40 1aug s ALA 492 Cb -0.18 -2.48 -0.14 0.00 0.00 0.00 0.00 23.12 20.32 1aug s ALA 492 CO 0.18 -2.10 1.54 0.41 0.00 0.00 0.00 175.76 175.78 1aug n GLY 493 N 2.64 1.02 0.00 0.00 0.00 -1.26 -2.46 105.19 105.13 1aug n GLY 493 Ca 0.15 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1aug n GLY 493 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aug n GLY 494 N 3.25 2.59 3.90 -0.02 0.00 -1.26 -4.98 105.19 108.66 1aug n GLY 494 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1aug n GLY 494 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aug s ARG 495 N -0.32 2.67 0.00 1.61 0.52 -1.03 -4.62 118.95 117.78 1aug s ARG 495 Ca 0.00 0.21 0.10 0.00 -0.52 0.00 0.00 55.73 55.52 1aug s ARG 495 Cb 0.00 -2.09 0.01 0.00 0.52 0.00 0.00 34.95 33.39 1aug s ARG 495 CO 0.00 -1.05 0.65 -1.33 0.02 0.00 0.00 175.30 173.59 1aug n MET 496 N -2.93 1.78 -4.07 3.54 2.81 -1.26 -4.55 117.12 112.43 1aug n MET 496 Ca 0.07 -0.69 -0.07 0.00 -1.81 0.00 0.00 57.70 55.20 1aug n MET 496 Cb 0.58 -1.09 -0.10 0.00 -0.71 0.00 0.00 33.22 31.90 1aug n MET 496 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1aug s GLN 497 N -1.22 0.58 -0.03 0.03 -0.21 -1.26 -4.86 119.66 112.69 1aug s GLN 497 Ca 0.09 -1.14 -0.30 0.00 0.02 0.00 0.00 55.36 54.02 1aug s GLN 497 Cb 0.08 0.20 -0.05 0.00 1.00 0.00 0.00 33.01 34.24 1aug s GLN 497 CO 0.22 -0.11 1.36 0.42 -2.12 0.00 0.00 175.29 175.06 1aug s ILE 498 N -3.65 3.88 -0.28 1.08 -1.09 -0.23 -4.30 121.20 116.61 1aug s ILE 498 Ca 0.04 1.22 0.02 0.00 -2.23 0.00 0.00 60.65 59.70 1aug s ILE 498 Cb 0.06 -3.78 0.08 0.00 -1.58 0.00 0.00 42.46 37.23 1aug s ILE 498 CO -0.09 -0.02 -0.02 0.42 -1.23 0.00 0.00 174.94 174.00 1aug s THR 499 N 2.59 1.77 0.26 2.92 -4.23 -0.40 -1.90 115.64 116.65 1aug s THR 499 Ca 0.62 -1.61 -0.31 0.00 -1.18 0.00 0.00 61.69 59.21 1aug s THR 499 Cb -0.29 -2.10 -0.11 0.00 1.34 0.00 0.00 72.50 71.33 1aug s THR 499 CO 0.24 -0.28 1.60 -2.84 -0.54 0.00 0.00 174.62 172.80 1aug s PRO 500 N 1.24 4.15 -0.11 3.99 0.02 -1.24 -0.92 135.00 142.12 1aug s PRO 500 Ca -0.00 2.53 -0.23 0.00 0.02 0.00 0.00 61.00 63.31 1aug s PRO 500 Cb -0.19 -3.06 -0.03 0.00 0.02 0.00 0.00 34.50 31.24 1aug s PRO 500 CO -0.09 -0.63 0.71 -1.21 -0.33 0.00 0.00 177.00 175.46 1aug s GLU 501 N 0.01 4.36 0.23 5.54 0.41 -0.65 -1.92 118.70 126.67 1aug s GLU 501 Ca 0.66 0.85 0.14 0.00 -0.41 0.00 0.00 54.97 56.21 1aug s GLU 501 Cb -0.47 -3.50 0.00 0.00 -1.78 0.00 0.00 34.13 28.38 1aug s GLU 501 CO 0.42 -0.08 1.33 -0.09 -0.49 0.00 0.00 175.26 176.35 1aug h ARG 502 N 7.02 0.00 -3.39 1.61 9.65 -1.54 -3.42 114.38 124.31 1aug h ARG 502 Ca -0.37 0.00 -0.26 0.00 -1.10 0.00 0.00 59.98 58.25 1aug h ARG 502 Cb 1.17 0.00 -0.32 0.00 -1.39 0.00 0.00 29.97 29.43 1aug h ARG 502 CO 0.78 0.52 -0.65 0.08 2.80 0.00 0.00 179.97 183.49 1aug s VAL 503 N -2.93 -0.05 -0.09 0.20 1.01 -1.26 -1.27 120.40 116.01 1aug s VAL 503 Ca 0.03 0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.16 1aug s VAL 503 Cb 0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.26 1aug s VAL 503 CO 0.76 0.07 0.02 0.00 0.00 0.00 0.00 175.10 175.96 1aug s ALA 504 N 1.04 3.37 0.04 5.51 0.00 -0.21 -4.29 121.76 127.22 1aug s ALA 504 Ca -0.08 -0.78 0.09 0.00 0.00 0.00 0.00 51.96 51.19 1aug s ALA 504 Cb -0.11 -1.56 -0.03 0.00 0.00 0.00 0.00 23.12 21.42 1aug s ALA 504 CO -0.04 0.58 -0.26 0.42 0.00 0.00 0.00 175.76 176.46 1aug s ILE 505 N -0.87 2.08 -1.48 0.00 1.09 -1.26 -1.28 121.20 119.48 1aug s ILE 505 Ca 0.13 -1.37 -0.11 0.00 -1.10 0.00 0.00 60.65 58.21 1aug s ILE 505 Cb -0.11 -1.78 0.02 0.00 -1.06 0.00 0.00 42.46 39.52 1aug s ILE 505 CO 0.03 0.35 2.50 -3.20 -0.10 0.00 0.00 174.94 174.51 1aug n ASN 506 N 1.79 6.58 -3.68 3.58 5.15 0.73 -4.84 115.26 124.57 1aug n ASN 506 Ca -0.17 -2.82 -0.11 0.00 -0.60 0.00 0.00 54.58 50.89 1aug n ASN 506 Cb 0.52 -1.55 -0.09 0.00 -0.53 0.00 0.00 39.78 38.13 1aug n ASN 506 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1aug s LEU 507 N 0.45 -0.27 -0.30 1.20 0.20 -1.26 -3.71 118.68 114.99 1aug s LEU 507 Ca 0.56 1.11 -0.08 0.00 0.69 0.00 0.00 54.13 56.41 1aug s LEU 507 Cb 0.16 1.78 -0.00 0.00 -0.43 0.00 0.00 46.19 47.69 1aug s LEU 507 CO -0.07 -0.20 0.11 0.20 -0.29 0.00 0.00 176.35 176.10 1aug s ASN 508 N 1.02 5.30 -0.35 3.68 0.01 0.77 -4.80 114.94 120.56 1aug s ASN 508 Ca -0.06 -0.58 0.01 0.00 -0.71 0.00 0.00 52.86 51.52 1aug s ASN 508 Cb -0.06 -1.94 0.14 0.00 0.41 0.00 0.00 41.25 39.81 1aug s ASN 508 CO -0.09 -0.18 0.25 -0.70 -1.51 0.00 0.00 177.10 174.87 1aug s GLU 509 N 1.56 0.55 -0.32 -0.60 2.56 -0.44 -2.34 118.70 119.67 1aug s GLU 509 Ca 0.04 -1.16 -0.19 0.00 0.00 0.00 0.00 54.97 53.66 1aug s GLU 509 Cb -0.17 -1.14 -0.01 0.00 2.00 0.00 0.00 34.13 34.81 1aug s GLU 509 CO 0.04 -1.20 0.56 0.00 -0.56 0.00 0.00 175.26 174.10 1aug s ALA 510 N 1.22 3.52 0.22 6.30 0.00 0.78 -4.32 121.76 129.48 1aug s ALA 510 Ca 0.17 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.36 1aug s ALA 510 Cb -0.21 -3.02 0.21 0.00 0.00 0.00 0.00 23.12 20.10 1aug s ALA 510 CO -0.02 -1.07 1.54 0.07 0.00 0.00 0.00 175.76 176.28 1aug h ARG 511 N 8.28 0.32 -5.55 0.00 -0.00 -1.92 -3.45 114.38 112.05 1aug h ARG 511 Ca -0.28 -0.22 -0.44 0.00 -0.00 0.00 0.00 59.98 59.04 1aug h ARG 511 Cb 1.13 0.03 -0.18 0.00 -0.00 0.00 0.00 29.97 30.95 1aug h ARG 511 CO 0.77 0.82 -0.76 -1.50 -0.00 0.00 0.00 179.97 179.30 1aug s ILE 512 N -3.79 1.46 0.55 0.08 1.10 -1.26 -5.14 121.20 114.19 1aug s ILE 512 Ca -0.05 -1.78 -0.17 0.00 -0.51 0.00 0.00 60.65 58.14 1aug s ILE 512 Cb 0.12 -1.62 -0.06 0.00 0.15 0.00 0.00 42.46 41.05 1aug s ILE 512 CO 0.81 -0.40 1.05 -2.16 -2.11 0.00 0.00 174.94 172.13 1aug s PRO 513 N -2.73 3.52 0.24 3.50 0.04 -1.26 -4.81 135.00 133.51 1aug s PRO 513 Ca 0.11 1.26 -0.04 0.00 0.04 0.00 0.00 61.00 62.37 1aug s PRO 513 Cb -0.05 -2.06 0.06 0.00 0.04 0.00 0.00 34.50 32.49 1aug s PRO 513 CO 0.04 -0.65 0.27 -0.40 0.04 0.00 0.00 177.00 176.29 1aug n ASP 514 N -1.60 -0.63 0.28 6.66 5.68 -0.16 -4.83 116.55 121.94 1aug n ASP 514 Ca 0.09 -0.87 0.19 0.00 -0.50 0.00 0.00 54.79 53.70 1aug n ASP 514 Cb 0.53 -0.22 0.91 0.00 -1.14 0.00 0.00 41.12 41.19 1aug n ASP 514 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1aug h ASN 515 N -0.90 0.00 -0.28 -1.12 2.35 -1.71 -1.41 115.58 112.51 1aug h ASN 515 Ca -0.09 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 1aug h ASN 515 Cb 0.27 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1aug h ASN 515 CO 0.06 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 175.22 1aug n GLU 516 N -2.90 2.79 -0.82 0.81 1.02 -1.26 -4.98 120.64 115.30 1aug n GLU 516 Ca -0.01 -2.88 0.00 0.00 -0.02 0.00 0.00 57.16 54.25 1aug n GLU 516 Cb 0.15 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 29.73 1aug n GLU 516 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1aug n GLY 517 N -0.59 0.85 3.72 0.62 0.00 -0.53 -5.03 105.19 104.23 1aug n GLY 517 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1aug n GLY 517 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1aug s ASN 518 N -2.82 7.20 -0.47 1.61 0.01 -1.26 -4.69 114.94 114.51 1aug s ASN 518 Ca 0.00 1.99 0.06 0.00 -0.71 0.00 0.00 52.86 54.20 1aug s ASN 518 Cb 0.00 -2.59 0.21 0.00 0.41 0.00 0.00 41.25 39.29 1aug s ASN 518 CO 0.00 -0.34 0.49 1.67 -1.51 0.00 0.00 177.10 177.41 1aug n GLN 519 N 3.29 0.93 -1.95 -0.60 7.27 -1.26 -0.99 117.38 124.06 1aug n GLN 519 Ca 0.06 -3.56 -0.41 0.00 0.07 0.00 0.00 57.00 53.16 1aug n GLN 519 Cb 0.47 -1.64 -0.01 0.00 2.41 0.00 0.00 30.24 31.47 1aug n GLN 519 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1aug s PRO 520 N -0.99 4.17 -0.07 3.69 0.04 -1.26 -4.81 135.00 135.77 1aug s PRO 520 Ca 0.34 2.38 0.01 0.00 0.04 0.00 0.00 61.00 63.77 1aug s PRO 520 Cb 0.10 -2.97 0.02 0.00 0.04 0.00 0.00 34.50 31.69 1aug s PRO 520 CO -0.13 -0.41 -0.09 0.08 0.04 0.00 0.00 177.00 176.48 1aug s VAL 521 N -1.15 0.97 -1.65 -0.36 1.01 -1.25 -0.16 120.40 117.82 1aug s VAL 521 Ca 0.52 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 1aug s VAL 521 Cb -0.43 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.03 1aug s VAL 521 CO 0.57 0.33 0.20 0.61 0.00 0.00 0.00 175.10 176.81 1aug n GLY 522 N 4.10 -0.46 3.69 4.51 0.00 -1.08 -4.96 105.19 110.98 1aug n GLY 522 Ca -0.21 0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1aug n GLY 522 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1aug s GLU 523 N -5.22 3.34 0.45 1.61 2.12 -0.99 -4.93 118.70 115.08 1aug s GLU 523 Ca 0.10 -0.36 -0.23 0.00 0.36 0.00 0.00 54.97 54.83 1aug s GLU 523 Cb -0.04 -2.96 -0.07 0.00 0.26 0.00 0.00 34.13 31.31 1aug s GLU 523 CO 0.12 0.58 1.19 -0.51 -0.54 0.00 0.00 175.26 176.10 1aug s ASP 524 N -0.52 6.17 -0.16 -1.70 1.01 -1.26 -0.17 116.67 120.05 1aug s ASP 524 Ca 0.10 2.38 -0.27 0.00 0.71 0.00 0.00 52.55 55.46 1aug s ASP 524 Cb -0.12 -2.61 -0.24 0.00 1.01 0.00 0.00 42.92 40.96 1aug s ASP 524 CO 0.02 -0.92 0.63 0.40 0.21 0.00 0.00 175.17 175.51 1aug h ILE 525 N 1.97 1.57 -3.62 0.77 2.04 -1.89 -3.44 117.51 114.91 1aug h ILE 525 Ca -0.49 -2.31 -0.67 0.00 1.00 0.00 0.00 64.86 62.38 1aug h ILE 525 Cb 1.25 3.10 -0.34 0.00 -0.74 0.00 0.00 36.82 40.08 1aug h ILE 525 CO 0.61 0.54 -0.77 -0.55 0.00 0.00 0.00 178.15 177.97 1aug s SER 526 N -6.39 4.30 -0.10 1.72 0.15 -1.26 -5.07 113.70 107.05 1aug s SER 526 Ca -0.21 -1.10 -0.29 0.00 0.70 0.00 0.00 55.95 55.04 1aug s SER 526 Cb -0.01 -1.61 -0.06 0.00 -1.71 0.00 0.00 66.02 62.64 1aug s SER 526 CO 0.67 -0.16 1.83 -1.10 1.20 0.00 0.00 173.24 175.68 1aug s GLN 527 N 1.23 3.90 0.00 5.44 1.11 -1.26 -1.18 119.66 128.89 1aug s GLN 527 Ca -0.03 2.15 0.00 0.00 0.01 0.00 0.00 55.36 57.49 1aug s GLN 527 Cb -0.18 -4.12 0.00 0.00 -1.01 0.00 0.00 33.01 27.70 1aug s GLN 527 CO -0.05 -1.20 0.00 0.41 0.01 0.00 0.00 175.29 174.46 1aug n GLY 528 N 4.66 0.74 3.87 3.09 0.00 -1.26 -5.04 105.19 111.25 1aug n GLY 528 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1aug n GLY 528 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aug s GLY 529 N -1.95 1.60 0.95 -0.02 0.00 -0.32 -5.04 107.32 102.54 1aug s GLY 529 Ca 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 44.72 44.11 1aug s GLY 529 CO 0.00 -0.05 1.14 -1.55 0.00 0.00 0.00 173.10 172.64 1aug n PRO 530 N -3.29 -0.66 0.02 2.90 -0.04 -1.26 -4.92 135.00 127.74 1aug n PRO 530 Ca 0.07 -0.13 -0.01 0.00 -0.04 0.00 0.00 63.50 63.40 1aug n PRO 530 Cb 0.59 -2.36 0.28 0.00 -0.04 0.00 0.00 33.50 31.97 1aug n PRO 530 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aug h ALA 531 N -1.99 1.30 -2.58 0.55 0.00 -1.96 -3.41 119.26 111.19 1aug h ALA 531 Ca -0.45 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.13 1aug h ALA 531 Cb 1.28 -0.13 -0.16 0.00 0.00 0.00 0.00 17.79 18.78 1aug h ALA 531 CO 0.42 0.47 -0.25 0.00 0.00 0.00 0.00 179.25 179.88 1aug s ALA 532 N -4.79 -0.60 -0.05 0.00 0.00 -1.26 -0.20 121.76 114.86 1aug s ALA 532 Ca -0.07 -0.16 0.06 0.00 0.00 0.00 0.00 51.96 51.78 1aug s ALA 532 Cb 0.15 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.68 1aug s ALA 532 CO 0.77 -0.47 -0.22 0.71 0.00 0.00 0.00 175.76 176.54 1aug s TYR 533 N -3.06 2.19 0.56 0.00 2.02 -0.41 -4.98 117.35 113.69 1aug s TYR 533 Ca -0.01 -0.65 -0.14 0.00 -0.37 0.00 0.00 57.07 55.90 1aug s TYR 533 Cb 0.01 -1.45 -0.06 0.00 -0.40 0.00 0.00 41.96 40.06 1aug s TYR 533 CO -0.07 -0.20 1.01 -1.58 -1.57 0.00 0.00 175.55 173.14 1aug s TRP 534 N -0.10 3.52 0.70 2.71 0.52 -1.26 -1.04 118.94 123.99 1aug s TRP 534 Ca -0.04 1.39 -0.15 0.00 0.02 0.00 0.00 56.10 57.32 1aug s TRP 534 Cb -0.13 -2.76 0.02 0.00 -1.15 0.00 0.00 33.47 29.45 1aug s TRP 534 CO 0.03 -0.53 1.18 -0.08 0.02 0.00 0.00 176.95 177.58 1aug s THR 535 N -2.87 2.57 -1.68 2.01 -1.32 -0.40 -4.89 115.64 109.07 1aug s THR 535 Ca 0.57 0.28 0.17 0.00 -1.21 0.00 0.00 61.69 61.50 1aug s THR 535 Cb -0.10 -2.85 0.36 0.00 -1.51 0.00 0.00 72.50 68.40 1aug s THR 535 CO 0.41 -0.15 1.28 0.61 -2.21 0.00 0.00 174.62 174.57 1aug n GLY 536 N 0.17 1.86 3.90 6.08 0.00 -0.18 -4.98 105.19 112.03 1aug n GLY 536 Ca 0.13 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 1aug n GLY 536 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aug s LEU 537 N -1.15 4.05 -1.41 0.99 1.43 -1.22 -4.40 118.68 116.97 1aug s LEU 537 Ca 0.31 0.73 -0.14 0.00 -1.03 0.00 0.00 54.13 54.00 1aug s LEU 537 Cb 0.17 -3.55 0.06 0.00 0.03 0.00 0.00 46.19 42.90 1aug s LEU 537 CO 0.24 -0.20 2.08 -0.81 0.23 0.00 0.00 176.35 177.89 1aug n PRO 538 N -0.95 3.01 0.19 1.29 -0.04 -1.26 -4.81 135.00 132.43 1aug n PRO 538 Ca -0.01 -2.86 0.04 0.00 -0.04 0.00 0.00 63.50 60.63 1aug n PRO 538 Cb 0.54 -3.28 0.39 0.00 -0.04 0.00 0.00 33.50 31.11 1aug n PRO 538 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 1aug h ILE 539 N 4.26 1.14 -0.07 0.52 3.07 -1.97 -1.74 117.51 122.73 1aug h ILE 539 Ca 0.52 -1.26 -0.12 0.00 1.55 0.00 0.00 64.86 65.55 1aug h ILE 539 Cb 0.68 1.70 -0.01 0.00 -0.27 0.00 0.00 36.82 38.92 1aug h ILE 539 CO 1.77 0.35 -0.52 0.11 -1.05 0.00 0.00 178.15 178.80 1aug h LYS 540 N 0.00 0.18 -0.20 0.16 1.57 -1.90 -1.29 116.57 115.09 1aug h LYS 540 Ca -0.00 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 58.52 1aug h LYS 540 Cb 0.67 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1aug h LYS 540 CO 0.05 0.66 -0.45 -0.09 -0.57 0.00 0.00 179.45 179.04 1aug h ARG 541 N 0.14 0.66 -0.54 3.15 2.43 -1.73 -2.32 114.38 116.18 1aug h ARG 541 Ca 0.00 -0.44 -0.01 0.00 -0.81 0.00 0.00 59.98 58.72 1aug h ARG 541 Cb 0.97 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.56 1aug h ARG 541 CO 0.08 1.06 0.29 0.82 -1.51 0.00 0.00 179.97 180.71 1aug h ILE 542 N 0.35 1.18 -0.19 1.20 2.04 -1.14 -1.73 117.51 119.23 1aug h ILE 542 Ca -0.00 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 1aug h ILE 542 Cb 1.06 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1aug h ILE 542 CO 0.10 0.20 0.09 0.58 0.00 0.00 0.00 178.15 179.12 1aug h VAL 543 N 0.72 1.13 -0.50 1.67 2.07 -1.20 -1.31 116.25 118.83 1aug h VAL 543 Ca 0.19 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 1aug h VAL 543 Cb 0.05 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1aug h VAL 543 CO -0.03 0.12 0.16 -0.33 0.02 0.00 0.00 177.57 177.51 1aug h GLU 544 N 0.18 0.73 -0.28 1.57 4.39 -1.21 -2.26 114.58 117.71 1aug h GLU 544 Ca 0.07 -0.12 -0.15 0.00 0.34 0.00 0.00 59.36 59.50 1aug h GLU 544 Cb 0.11 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1aug h GLU 544 CO -0.01 0.64 -0.39 0.93 -1.16 0.00 0.00 179.01 179.02 1aug h GLU 545 N 0.72 0.76 -0.70 2.33 4.39 -1.16 -1.49 114.58 119.43 1aug h GLU 545 Ca 0.17 -0.44 -0.04 0.00 0.34 0.00 0.00 59.36 59.38 1aug h GLU 545 Cb 0.21 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 1aug h GLU 545 CO -0.01 1.07 0.27 0.82 -1.16 0.00 0.00 179.01 180.01 1aug h ILE 546 N 0.52 1.25 -0.45 3.13 2.04 -1.07 -2.69 117.51 120.23 1aug h ILE 546 Ca 0.03 -0.78 -0.06 0.00 1.00 0.00 0.00 64.86 65.05 1aug h ILE 546 Cb 0.98 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 1aug h ILE 546 CO 0.09 0.31 0.03 0.11 0.00 0.00 0.00 178.15 178.69 1aug h LYS 547 N 1.00 0.72 0.00 2.37 1.57 -1.39 -1.67 116.57 119.16 1aug h LYS 547 Ca 0.23 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1aug h LYS 547 Cb 0.22 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1aug h LYS 547 CO -0.02 0.71 -0.00 0.87 -0.57 0.00 0.00 179.45 180.44 1aug h LYS 548 N 0.68 0.00 -0.56 3.15 1.57 -0.93 -0.83 116.57 119.65 1aug h LYS 548 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1aug h LYS 548 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1aug h LYS 548 CO 0.01 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.29 1aug n GLU 549 N -4.47 2.22 -1.04 3.15 -0.58 -0.65 -4.90 120.64 114.36 1aug n GLU 549 Ca -0.03 -1.28 -0.01 0.00 -0.42 0.00 0.00 57.16 55.41 1aug n GLU 549 Cb 0.09 -1.53 -0.01 0.00 -0.57 0.00 0.00 31.44 29.43 1aug n GLU 549 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1aug n GLY 550 N 0.68 0.51 3.33 0.62 0.00 -0.32 -5.05 105.19 104.95 1aug n GLY 550 Ca 0.12 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 1aug n GLY 550 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1aug s ILE 551 N -2.04 2.26 0.31 -0.61 2.07 -1.09 -5.02 121.20 117.08 1aug s ILE 551 Ca 0.00 -1.01 -0.29 0.00 -1.41 0.00 0.00 60.65 57.94 1aug s ILE 551 Cb 0.00 -1.82 -0.10 0.00 0.13 0.00 0.00 42.46 40.67 1aug s ILE 551 CO 0.00 0.58 1.30 -2.16 -1.91 0.00 0.00 174.94 172.75 1aug s PRO 552 N -0.44 4.37 -0.05 3.50 0.04 -1.26 -3.28 135.00 137.87 1aug s PRO 552 Ca 0.05 2.18 -0.23 0.00 0.04 0.00 0.00 61.00 63.04 1aug s PRO 552 Cb -0.12 -3.09 0.05 0.00 0.04 0.00 0.00 34.50 31.38 1aug s PRO 552 CO 0.01 -0.18 0.51 0.00 0.04 0.00 0.00 177.00 177.37 1aug s ALA 553 N -0.96 -1.30 0.08 8.56 0.00 -1.26 -1.07 121.76 125.80 1aug s ALA 553 Ca 0.50 0.91 -0.26 0.00 0.00 0.00 0.00 51.96 53.11 1aug s ALA 553 Cb -0.39 -0.05 0.07 0.00 0.00 0.00 0.00 23.12 22.74 1aug s ALA 553 CO 0.50 -0.31 0.64 0.00 0.00 0.00 0.00 175.76 176.59 1aug s ALA 554 N -1.10 -1.67 0.11 0.00 0.00 -0.80 -4.91 121.76 113.39 1aug s ALA 554 Ca -0.11 0.81 -0.21 0.00 0.00 0.00 0.00 51.96 52.45 1aug s ALA 554 Cb -0.03 0.54 -0.07 0.00 0.00 0.00 0.00 23.12 23.57 1aug s ALA 554 CO 0.07 -0.62 0.63 0.54 0.00 0.00 0.00 175.76 176.38 1aug s VAL 555 N -2.79 4.63 0.07 0.00 0.11 -1.26 -3.68 120.40 117.47 1aug s VAL 555 Ca -0.03 1.34 0.02 0.00 -2.93 0.00 0.00 61.98 60.38 1aug s VAL 555 Cb -0.01 -3.96 -0.04 0.00 -1.53 0.00 0.00 36.38 30.85 1aug s VAL 555 CO -0.05 0.52 0.10 -0.55 -3.33 0.00 0.00 175.10 171.80 1aug s SER 556 N -1.17 5.69 -0.01 3.54 0.15 -0.81 -4.98 113.70 116.11 1aug s SER 556 Ca 0.32 0.05 0.06 0.00 0.70 0.00 0.00 55.95 57.08 1aug s SER 556 Cb -0.20 -1.58 0.18 0.00 -1.71 0.00 0.00 66.02 62.71 1aug s SER 556 CO 0.21 0.18 1.14 -1.22 1.20 0.00 0.00 173.24 174.76 1aug n TYR 557 N 0.50 0.26 -3.74 3.44 4.01 -1.26 -1.30 117.16 119.07 1aug n TYR 557 Ca -0.08 -0.53 -0.12 0.00 -0.16 0.00 0.00 57.90 57.01 1aug n TYR 557 Cb 0.52 -0.05 -0.12 0.00 -0.31 0.00 0.00 39.34 39.37 1aug n TYR 557 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1aug s THR 558 N -1.11 -0.03 -0.48 -0.72 -1.32 -1.26 -4.73 115.64 105.99 1aug s THR 558 Ca 0.14 0.10 0.16 0.00 -1.21 0.00 0.00 61.69 60.88 1aug s THR 558 Cb 0.08 -0.41 0.64 0.00 -1.51 0.00 0.00 72.50 71.30 1aug s THR 558 CO 0.08 0.04 1.55 0.00 -2.21 0.00 0.00 174.62 174.08 1aug n ALA 559 N 3.90 3.20 0.00 11.08 0.00 -1.26 -5.04 120.51 132.40 1aug n ALA 559 Ca -0.22 -1.93 0.00 0.00 0.00 0.00 0.00 53.44 51.29 1aug n ALA 559 Cb 0.55 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1aug n ALA 559 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aug n GLY 560 N 0.28 -1.91 0.36 0.00 0.00 -1.26 -3.91 105.19 98.77 1aug n GLY 560 Ca 0.23 -1.52 0.01 0.00 0.00 0.00 0.00 46.02 44.74 1aug n GLY 560 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aug n THR 561 N 0.00 0.22 -1.41 2.61 -2.24 -1.26 -4.67 114.28 107.52 1aug n THR 561 Ca 0.00 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1aug n THR 561 Cb 0.00 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1aug n THR 561 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1aug n PHE 562 N -0.16 0.00 0.10 4.78 7.35 -1.26 -1.33 117.46 126.94 1aug n PHE 562 Ca 0.02 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.72 1aug n PHE 562 Cb 0.65 0.00 0.35 0.00 0.35 0.00 0.00 39.48 40.83 1aug n PHE 562 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1aug h VAL 563 N 0.00 1.21 -0.44 -2.13 2.07 -1.96 -2.51 116.25 112.49 1aug h VAL 563 Ca 0.00 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 1aug h VAL 563 Cb 0.00 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1aug h VAL 563 CO 0.00 0.29 0.16 0.00 0.02 0.00 0.00 177.57 178.04 1aug h ASN 565 N 0.57 0.26 0.01 0.00 -1.24 -1.62 -2.36 115.58 111.20 1aug h ASN 565 Ca 0.15 -0.13 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1aug h ASN 565 Cb 0.22 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.20 1aug h ASN 565 CO -0.01 0.72 -0.01 -0.74 -1.29 0.00 0.00 177.43 176.10 1aug h HIS 566 N 0.19 -0.02 -0.43 0.67 2.76 -1.08 0.75 115.15 117.98 1aug h HIS 566 Ca 0.01 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.06 1aug h HIS 566 Cb 0.95 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.91 1aug h HIS 566 CO 0.02 -0.02 -0.22 1.25 -1.30 0.00 0.00 177.93 177.66 1aug h LEU 567 N -0.02 0.89 -0.12 0.26 5.85 -0.97 -1.00 115.31 120.19 1aug h LEU 567 Ca 0.00 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 1aug h LEU 567 Cb 0.02 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1aug h LEU 567 CO -0.01 1.07 0.06 0.15 -0.34 0.00 0.00 178.44 179.38 1aug h PHE 568 N 0.76 0.17 -0.05 1.25 3.57 -1.05 0.57 116.94 122.16 1aug h PHE 568 Ca 0.10 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1aug h PHE 568 Cb 0.76 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 1aug h PHE 568 CO 0.04 0.20 0.02 -0.92 -2.23 0.00 0.00 178.31 175.42 1aug h TYR 569 N 0.09 0.07 -0.93 0.41 3.20 -0.78 -2.18 116.97 116.86 1aug h TYR 569 Ca 0.04 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.00 1aug h TYR 569 Cb 0.09 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.27 1aug h TYR 569 CO -0.04 0.20 0.60 0.78 -1.64 0.00 0.00 178.16 178.06 1aug h GLY 570 N -0.08 1.38 0.88 1.82 0.00 -1.09 -0.50 103.07 105.48 1aug h GLY 570 Ca 0.02 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1aug h GLY 570 CO -0.00 0.23 0.03 -2.00 0.00 0.00 0.00 176.54 174.80 1aug h LEU 571 N 0.97 0.09 -1.20 3.11 5.85 -0.68 -1.99 115.31 121.45 1aug h LEU 571 Ca 0.42 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.93 1aug h LEU 571 Cb 0.35 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1aug h LEU 571 CO -0.18 0.19 -0.40 0.24 -0.34 0.00 0.00 178.44 177.95 1aug h MET 572 N -0.02 0.00 -0.01 1.25 2.86 -0.72 -0.91 114.93 117.37 1aug h MET 572 Ca 0.02 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1aug h MET 572 Cb 0.13 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1aug h MET 572 CO -0.00 0.40 -0.00 0.22 1.06 0.00 0.00 176.91 178.58 1aug h ASP 573 N 0.00 0.02 -0.56 1.22 3.58 -1.07 -1.18 116.42 118.43 1aug h ASP 573 Ca -0.00 -0.36 0.03 0.00 0.42 0.00 0.00 57.03 57.12 1aug h ASP 573 Cb 0.71 -0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.71 1aug h ASP 573 CO 0.05 0.38 0.32 -0.33 -2.88 0.00 0.00 179.24 176.78 1aug h GLU 574 N -0.34 0.61 -0.05 0.28 4.39 -1.12 -1.93 114.58 116.42 1aug h GLU 574 Ca 0.00 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1aug h GLU 574 Cb 0.37 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1aug h GLU 574 CO 0.00 0.41 0.03 0.82 -1.16 0.00 0.00 179.01 179.10 1aug h ILE 575 N 0.63 1.05 -0.52 3.13 2.04 -1.10 0.10 117.51 122.85 1aug h ILE 575 Ca 0.23 -0.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.88 1aug h ILE 575 Cb 0.07 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1aug h ILE 575 CO -0.12 0.04 0.03 -1.28 0.00 0.00 0.00 178.15 176.82 1aug h SER 576 N 0.02 0.82 0.41 1.72 0.87 -1.04 -0.58 113.55 115.77 1aug h SER 576 Ca 0.02 -0.19 -0.31 0.00 -1.23 0.00 0.00 61.79 60.08 1aug h SER 576 Cb 0.05 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 61.74 1aug h SER 576 CO -0.00 0.87 -1.81 0.54 -0.53 0.00 0.00 176.83 175.90 1aug n ARG 577 N -4.22 0.65 0.00 2.24 1.74 -0.74 -4.74 116.66 111.58 1aug n ARG 577 Ca 0.03 0.26 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 1aug n ARG 577 Cb 0.29 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 1aug n ARG 577 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1aug n HIS 578 N -3.04 0.00 -3.06 -1.55 8.25 0.01 -4.95 115.22 110.88 1aug n HIS 578 Ca -0.20 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.10 1aug n HIS 578 Cb 1.06 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.17 1aug n HIS 578 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1aug n HIS 579 N -0.56 -0.89 0.45 4.41 8.25 -0.26 -4.98 115.22 121.63 1aug n HIS 579 Ca 0.00 -3.23 0.05 0.00 -0.26 0.00 0.00 57.72 54.28 1aug n HIS 579 Cb 0.00 0.19 0.24 0.00 1.12 0.00 0.00 29.99 31.54 1aug n HIS 579 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1aug n PRO 580 N 0.69 0.13 0.09 -0.41 -0.04 -0.97 -1.10 135.00 133.39 1aug n PRO 580 Ca 0.19 0.20 0.12 0.00 -0.04 0.00 0.00 63.50 63.96 1aug n PRO 580 Cb 0.63 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.66 1aug n PRO 580 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1aug h HIS 581 N 0.00 0.00 -3.75 0.54 2.07 -1.94 -3.47 115.15 108.60 1aug h HIS 581 Ca 0.00 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 57.02 1aug h HIS 581 Cb 0.09 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.06 1aug h HIS 581 CO 0.00 0.00 0.39 0.42 -3.07 0.00 0.00 177.93 175.67 1aug s ILE 582 N -3.29 3.92 -0.29 6.12 1.01 -0.26 -4.96 121.20 123.46 1aug s ILE 582 Ca 0.02 1.92 -0.11 0.00 0.00 0.00 0.00 60.65 62.48 1aug s ILE 582 Cb 0.11 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 1aug s ILE 582 CO 0.76 0.45 0.20 -0.13 0.00 0.00 0.00 174.94 176.22 1aug s ARG 583 N -1.19 3.88 0.11 2.79 0.52 -0.73 -5.00 118.95 119.33 1aug s ARG 583 Ca 0.42 -0.37 0.03 0.00 -0.52 0.00 0.00 55.73 55.29 1aug s ARG 583 Cb -0.28 -3.68 -0.04 0.00 0.52 0.00 0.00 34.95 31.48 1aug s ARG 583 CO 0.34 -0.22 -0.08 0.20 0.02 0.00 0.00 175.30 175.56 1aug s GLY 584 N 1.75 0.85 0.01 -3.53 0.00 -1.26 -1.00 107.32 104.14 1aug s GLY 584 Ca 0.07 -1.34 -0.02 0.00 0.00 0.00 0.00 44.72 43.43 1aug s GLY 584 CO 0.11 -1.44 0.10 0.61 0.00 0.00 0.00 173.10 172.48 1aug n GLY 585 N 0.06 0.95 2.95 0.20 0.00 -0.85 -1.02 105.19 107.49 1aug n GLY 585 Ca -0.13 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 1aug n GLY 585 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1aug s PHE 586 N -4.45 0.32 -0.06 1.61 2.19 -1.26 -1.80 117.98 114.52 1aug s PHE 586 Ca 0.02 -0.21 0.02 0.00 0.33 0.00 0.00 56.93 57.09 1aug s PHE 586 Cb -0.00 -0.20 0.01 0.00 -1.31 0.00 0.00 43.02 41.52 1aug s PHE 586 CO 0.00 -0.05 -0.10 0.42 1.83 0.00 0.00 175.22 177.32 1aug s ILE 587 N -0.54 0.98 0.01 3.12 1.01 -0.43 -1.64 121.20 123.70 1aug s ILE 587 Ca -0.04 -0.39 -0.05 0.00 0.00 0.00 0.00 60.65 60.17 1aug s ILE 587 Cb -0.04 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.47 1aug s ILE 587 CO -0.00 0.32 0.25 -1.00 0.00 0.00 0.00 174.94 174.50 1aug s HIS 588 N 0.70 3.56 0.14 3.97 3.76 -0.10 -2.01 115.29 125.32 1aug s HIS 588 Ca -0.14 0.50 0.07 0.00 -0.15 0.00 0.00 55.06 55.35 1aug s HIS 588 Cb -0.15 -1.94 -0.04 0.00 1.11 0.00 0.00 32.58 31.56 1aug s HIS 588 CO 0.03 0.62 -0.16 0.96 -0.85 0.00 0.00 174.74 175.33 1aug s ILE 589 N -1.32 1.57 1.20 0.60 -4.36 -0.00 -1.28 121.20 117.60 1aug s ILE 589 Ca 0.28 -1.80 -0.17 0.00 -0.26 0.00 0.00 60.65 58.70 1aug s ILE 589 Cb -0.13 -1.67 0.28 0.00 1.25 0.00 0.00 42.46 42.19 1aug s ILE 589 CO 0.17 -0.35 1.06 -2.84 0.24 0.00 0.00 174.94 173.22 1aug s PRO 590 N -2.69 -1.16 0.78 0.37 0.02 -1.26 -0.17 135.00 130.89 1aug s PRO 590 Ca 0.12 0.24 -0.14 0.00 0.02 0.00 0.00 61.00 61.25 1aug s PRO 590 Cb -0.06 -1.58 0.07 0.00 0.02 0.00 0.00 34.50 32.96 1aug s PRO 590 CO 0.05 -3.73 1.19 0.71 -0.33 0.00 0.00 177.00 174.89 1aug s TYR 591 N -2.77 1.94 0.36 6.54 2.02 -1.26 -4.69 117.35 119.49 1aug s TYR 591 Ca 0.69 1.65 0.01 0.00 -0.37 0.00 0.00 57.07 59.04 1aug s TYR 591 Cb -0.15 -3.44 -0.03 0.00 -0.40 0.00 0.00 41.96 37.94 1aug s TYR 591 CO 0.58 -2.68 0.56 0.96 -1.57 0.00 0.00 175.55 173.40 1aug s ILE 592 N -2.16 4.82 0.27 2.71 -4.36 -1.26 -1.94 121.20 119.28 1aug s ILE 592 Ca 0.72 -0.53 -0.00 0.00 -0.26 0.00 0.00 60.65 60.58 1aug s ILE 592 Cb -0.28 -3.76 0.26 0.00 1.25 0.00 0.00 42.46 39.93 1aug s ILE 592 CO 0.49 -0.48 1.71 -0.65 0.24 0.00 0.00 174.94 176.25 1aug h PRO 593 N 0.70 0.40 0.00 0.37 0.11 -1.92 -1.34 132.00 130.32 1aug h PRO 593 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1aug h PRO 593 Cb 1.23 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1aug h PRO 593 CO 0.60 0.26 0.17 0.93 -0.21 0.00 0.00 178.00 179.75 1aug h GLU 594 N 0.41 0.00 -0.00 1.05 3.07 -1.95 0.13 114.58 117.28 1aug h GLU 594 Ca 0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 1aug h GLU 594 Cb 0.84 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.75 1aug h GLU 594 CO -0.48 0.00 -0.63 1.04 -1.40 0.00 0.00 179.01 177.54 1aug n GLN 595 N -2.93 0.35 -1.13 2.33 6.02 -0.50 -4.29 117.38 117.22 1aug n GLN 595 Ca -0.02 -0.25 -0.14 0.00 -0.01 0.00 0.00 57.00 56.57 1aug n GLN 595 Cb 0.22 -1.49 0.15 0.00 1.02 0.00 0.00 30.24 30.14 1aug n GLN 595 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1aug n THR 596 N -1.10 2.79 0.11 5.09 -2.24 0.45 -4.71 114.28 114.66 1aug n THR 596 Ca 0.07 -2.92 -0.21 0.00 -2.27 0.00 0.00 64.05 58.71 1aug n THR 596 Cb 0.36 -0.59 -0.15 0.00 -2.10 0.00 0.00 70.33 67.85 1aug n THR 596 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1aug h LEU 597 N 1.32 0.63 0.00 3.22 4.07 -1.75 -3.34 115.31 119.47 1aug h LEU 597 Ca 0.35 -0.77 0.00 0.00 0.08 0.00 0.00 57.88 57.54 1aug h LEU 597 Cb 1.68 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 43.21 1aug h LEU 597 CO 0.71 1.62 -1.14 0.00 -1.08 0.00 0.00 178.44 178.56 1aug n GLN 598 N -3.60 0.16 -3.85 1.13 3.00 -1.26 -4.85 117.38 108.11 1aug n GLN 598 Ca -0.18 -0.04 -0.28 0.00 -0.01 0.00 0.00 57.00 56.50 1aug n GLN 598 Cb 1.07 -1.52 -0.16 0.00 0.00 0.00 0.00 30.24 29.63 1aug n GLN 598 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 1aug s LYS 599 N -3.12 1.22 -0.01 -1.09 -2.85 -1.25 -5.10 119.74 107.54 1aug s LYS 599 Ca 0.05 -0.61 -0.30 0.00 -1.00 0.00 0.00 55.97 54.11 1aug s LYS 599 Cb 0.16 -2.18 -0.05 0.00 -2.06 0.00 0.00 37.83 33.69 1aug s LYS 599 CO 0.85 -0.54 1.44 -1.54 0.10 0.00 0.00 175.35 175.67 1aug s SER 600 N 1.64 6.81 0.07 0.03 1.04 -1.26 -4.50 113.70 117.52 1aug s SER 600 Ca -0.02 2.14 -0.11 0.00 0.48 0.00 0.00 55.95 58.44 1aug s SER 600 Cb -0.17 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.41 1aug s SER 600 CO -0.07 -0.76 0.25 0.00 0.98 0.00 0.00 173.24 173.63 1aug s ALA 601 N 2.68 -0.47 0.85 5.32 0.00 -1.26 -5.12 121.76 123.75 1aug s ALA 601 Ca 0.65 -0.28 -0.11 0.00 0.00 0.00 0.00 51.96 52.22 1aug s ALA 601 Cb -0.32 0.40 0.11 0.00 0.00 0.00 0.00 23.12 23.31 1aug s ALA 601 CO 0.27 -0.45 1.15 -2.14 0.00 0.00 0.00 175.76 174.59 1aug s PRO 602 N -3.10 1.48 0.28 0.00 0.02 -1.26 -4.89 135.00 127.52 1aug s PRO 602 Ca -0.01 1.54 -0.14 0.00 0.02 0.00 0.00 61.00 62.41 1aug s PRO 602 Cb 0.01 -1.78 0.01 0.00 0.02 0.00 0.00 34.50 32.76 1aug s PRO 602 CO -0.07 -2.28 0.57 -1.54 -0.33 0.00 0.00 177.00 173.35 1aug s SER 603 N -2.63 -0.02 0.02 2.53 1.04 -1.26 -4.33 113.70 109.04 1aug s SER 603 Ca 0.68 -0.93 0.02 0.00 0.48 0.00 0.00 55.95 56.20 1aug s SER 603 Cb -0.23 0.66 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 1aug s SER 603 CO 0.55 -1.26 -0.06 -0.76 0.98 0.00 0.00 173.24 172.68 1aug s LEU 604 N -3.02 2.11 0.61 2.42 1.43 -0.82 -4.92 118.68 116.49 1aug s LEU 604 Ca 0.20 -0.28 -0.18 0.00 -1.03 0.00 0.00 54.13 52.84 1aug s LEU 604 Cb -0.02 -0.23 -0.02 0.00 0.03 0.00 0.00 46.19 45.94 1aug s LEU 604 CO 0.10 -0.04 1.16 -0.94 0.23 0.00 0.00 176.35 176.85 1aug s SER 605 N -0.73 5.21 0.52 2.29 1.04 -1.26 -4.18 113.70 116.60 1aug s SER 605 Ca -0.03 2.21 0.24 0.00 0.48 0.00 0.00 55.95 58.86 1aug s SER 605 Cb -0.05 -2.58 1.36 0.00 0.10 0.00 0.00 66.02 64.85 1aug s SER 605 CO 0.00 -1.57 2.00 0.25 0.98 0.00 0.00 173.24 174.91 1aug h LEU 606 N 0.61 0.03 -0.61 2.42 5.85 -1.98 -0.31 115.31 121.32 1aug h LEU 606 Ca -0.49 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.09 1aug h LEU 606 Cb 1.27 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1aug h LEU 606 CO 0.55 0.01 -0.40 0.44 -0.34 0.00 0.00 178.44 178.71 1aug h ASP 607 N 0.03 0.69 0.14 1.25 3.32 -2.00 -1.09 116.42 118.77 1aug h ASP 607 Ca 0.24 -0.31 -0.21 0.00 0.02 0.00 0.00 57.03 56.77 1aug h ASP 607 Cb 0.92 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1aug h ASP 607 CO -0.01 1.01 -0.81 0.45 -1.72 0.00 0.00 179.24 178.17 1aug h HIS 608 N 0.54 0.74 -0.07 4.55 3.86 -1.44 -2.48 115.15 120.84 1aug h HIS 608 Ca 0.05 -0.35 -0.01 0.00 -1.16 0.00 0.00 60.37 58.90 1aug h HIS 608 Cb 0.92 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 29.28 1aug h HIS 608 CO 0.04 1.14 -0.01 0.82 0.86 0.00 0.00 177.93 180.78 1aug h ILE 609 N 0.35 1.28 -0.24 2.45 2.04 -1.28 -1.02 117.51 121.09 1aug h ILE 609 Ca -0.05 -0.88 -0.07 0.00 1.00 0.00 0.00 64.86 64.85 1aug h ILE 609 Cb 1.41 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 39.20 1aug h ILE 609 CO 0.15 0.25 -0.16 0.71 0.00 0.00 0.00 178.15 179.09 1aug h THR 610 N -0.18 1.23 -0.59 -0.27 1.35 -1.24 -1.60 112.91 111.61 1aug h THR 610 Ca 0.02 -1.04 -0.03 0.00 -0.55 0.00 0.00 66.41 64.80 1aug h THR 610 Cb 0.39 1.23 -0.03 0.00 -1.73 0.00 0.00 68.15 68.02 1aug h THR 610 CO 0.01 0.33 0.24 0.50 -0.25 0.00 0.00 175.52 176.35 1aug h LYS 611 N 0.39 0.87 -0.71 4.72 3.64 -1.38 -1.37 116.57 122.73 1aug h LYS 611 Ca 0.07 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 59.24 1aug h LYS 611 Cb 0.52 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1aug h LYS 611 CO 0.03 0.74 0.21 0.00 -2.27 0.00 0.00 179.45 178.16 1aug h ALA 612 N 1.09 1.02 -0.22 5.00 0.00 -0.55 -1.90 119.26 123.71 1aug h ALA 612 Ca 0.20 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1aug h ALA 612 Cb 0.19 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1aug h ALA 612 CO -0.02 0.65 -0.37 -0.07 0.00 0.00 0.00 179.25 179.44 1aug h LEU 613 N 1.06 0.51 -0.33 0.00 4.07 -1.04 -0.40 115.31 119.18 1aug h LEU 613 Ca 0.23 -0.21 -0.14 0.00 0.08 0.00 0.00 57.88 57.84 1aug h LEU 613 Cb 0.32 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 1aug h LEU 613 CO -0.00 0.84 -0.34 0.50 -1.08 0.00 0.00 178.44 178.36 1aug h LYS 614 N 0.41 0.82 -0.53 1.13 3.64 -1.08 -2.16 116.57 118.79 1aug h LYS 614 Ca 0.04 -0.43 -0.07 0.00 -1.27 0.00 0.00 60.65 58.92 1aug h LYS 614 Cb 0.84 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 1aug h LYS 614 CO 0.07 1.07 0.06 0.82 -2.27 0.00 0.00 179.45 179.19 1aug h ILE 615 N 0.60 1.24 -0.22 2.00 2.04 -0.97 -1.94 117.51 120.26 1aug h ILE 615 Ca 0.05 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 1aug h ILE 615 Cb 0.92 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1aug h ILE 615 CO 0.08 0.35 0.06 0.00 0.00 0.00 0.00 178.15 178.64 1aug h ALA 616 N 1.25 0.29 -0.62 1.87 0.00 -0.90 -0.56 119.26 120.58 1aug h ALA 616 Ca 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1aug h ALA 616 Cb 0.41 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1aug h ALA 616 CO 0.01 -0.06 0.33 0.00 0.00 0.00 0.00 179.25 179.53 1aug h ALA 617 N 0.87 0.80 -0.22 0.00 0.00 -1.24 -0.78 119.26 118.69 1aug h ALA 617 Ca 0.07 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1aug h ALA 617 Cb 0.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1aug h ALA 617 CO 0.00 0.33 -0.10 0.28 0.00 0.00 0.00 179.25 179.76 1aug h VAL 618 N 0.85 1.30 -0.77 0.00 2.07 -1.32 -1.03 116.25 117.35 1aug h VAL 618 Ca 0.22 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 1aug h VAL 618 Cb 0.07 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 1aug h VAL 618 CO -0.03 0.35 0.34 0.74 0.02 0.00 0.00 177.57 178.99 1aug h THR 619 N 0.17 1.25 -0.10 2.57 2.02 -0.90 -1.30 112.91 116.62 1aug h THR 619 Ca 0.05 -0.73 -0.12 0.00 0.77 0.00 0.00 66.41 66.39 1aug h THR 619 Cb 0.59 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1aug h THR 619 CO 0.03 0.30 -0.46 0.00 0.37 0.00 0.00 175.52 175.77 1aug h ALA 620 N 1.28 1.04 -0.34 6.16 0.00 -1.07 0.12 119.26 126.45 1aug h ALA 620 Ca 0.26 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 1aug h ALA 620 Cb 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1aug h ALA 620 CO -0.03 0.62 -0.28 0.00 0.00 0.00 0.00 179.25 179.57 1aug h ALA 621 N 1.33 0.49 0.11 0.00 0.00 -0.44 -3.30 119.26 117.45 1aug h ALA 621 Ca 0.01 -0.40 -0.28 0.00 0.00 0.00 0.00 54.91 54.24 1aug h ALA 621 Cb 0.89 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.58 1aug h ALA 621 CO 0.07 0.50 -1.20 0.28 0.00 0.00 0.00 179.25 178.91 1aug h VAL 622 N 0.56 1.37 -3.29 0.00 2.07 -1.24 -3.45 116.25 112.27 1aug h VAL 622 Ca 0.06 -2.65 -0.66 0.00 0.82 0.00 0.00 66.70 64.27 1aug h VAL 622 Cb 0.85 2.73 -0.29 0.00 -1.52 0.00 0.00 31.29 33.06 1aug h VAL 622 CO 0.07 0.79 -0.77 -1.00 0.02 0.00 0.00 177.57 176.68 1aug s HIS 623 N -2.92 2.86 0.01 1.57 3.76 0.02 -4.96 115.29 115.63 1aug s HIS 623 Ca -0.07 -1.03 -0.25 0.00 -0.15 0.00 0.00 55.06 53.56 1aug s HIS 623 Cb 0.07 -1.98 -0.19 0.00 1.11 0.00 0.00 32.58 31.59 1aug s HIS 623 CO 0.91 -0.51 1.38 1.05 -0.85 0.00 0.00 174.74 176.71 1aug h GLU 624 N 7.63 -0.04 -5.91 1.40 9.09 -1.85 -3.42 114.58 121.48 1aug h GLU 624 Ca -0.37 0.00 -0.62 0.00 0.05 0.00 0.00 59.36 58.42 1aug h GLU 624 Cb 1.17 0.01 -0.13 0.00 -1.65 0.00 0.00 28.75 28.15 1aug h GLU 624 CO 0.59 0.31 -0.66 0.16 0.05 0.00 0.00 179.01 179.47 1aug s ASP 625 N -5.51 3.82 0.22 3.06 -4.77 -1.26 -4.76 116.67 107.48 1aug s ASP 625 Ca -0.15 -1.19 0.05 0.00 -3.30 0.00 0.00 52.55 47.96 1aug s ASP 625 Cb 0.03 -0.38 -0.03 0.00 -1.09 0.00 0.00 42.92 41.44 1aug s ASP 625 CO 0.66 -0.25 0.30 -0.62 0.70 0.00 0.00 175.17 175.96 1aug s ASP 626 N -3.64 6.11 0.44 2.11 -1.08 -1.26 -4.89 116.67 114.45 1aug s ASP 626 Ca 0.33 0.01 -0.03 0.00 -0.52 0.00 0.00 52.55 52.35 1aug s ASP 626 Cb 0.03 -1.75 -0.03 0.00 -1.46 0.00 0.00 42.92 39.71 1aug s ASP 626 CO 0.17 -0.03 0.70 0.27 0.52 0.00 0.00 175.17 176.80 1aug s ILE 627 N -1.94 4.85 -0.99 4.11 -5.25 -1.26 -5.04 121.20 115.68 1aug s ILE 627 Ca 0.34 -0.10 -0.02 0.00 -0.99 0.00 0.00 60.65 59.88 1aug s ILE 627 Cb -0.09 -3.82 0.30 0.00 2.95 0.00 0.00 42.46 41.80 1aug s ILE 627 CO 0.28 -0.69 1.35 1.21 -1.79 0.00 0.00 174.94 175.30 1aug n GLU 628 N -2.10 4.14 -4.08 0.37 4.07 -1.26 -4.82 120.64 116.97 1aug n GLU 628 Ca -0.01 -4.59 -0.33 0.00 -0.06 0.00 0.00 57.16 52.17 1aug n GLU 628 Cb 0.56 -2.46 -0.15 0.00 -0.06 0.00 0.00 31.44 29.32 1aug n GLU 628 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1aug s THR 629 N -2.81 2.26 0.00 6.31 2.01 -1.26 -5.24 115.64 116.91 1aug s THR 629 Ca 0.33 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 61.26 1aug s THR 629 Cb 0.07 -2.06 0.00 0.00 0.01 0.00 0.00 72.50 70.52 1aug s THR 629 CO 0.08 0.37 0.00 0.61 -0.69 0.00 0.00 174.62 174.99