#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pa1 s LEU 498 N 0.00 4.35 -0.21 3.14 2.96 -1.26 -5.06 118.68 122.60 1pa1 s LEU 498 Ca 0.00 0.89 -0.05 0.00 -0.22 0.00 0.00 54.13 54.75 1pa1 s LEU 498 Cb 0.00 -2.68 0.11 0.00 0.50 0.00 0.00 46.19 44.12 1pa1 s LEU 498 CO 0.00 0.12 0.40 -0.70 -1.32 0.00 0.00 176.35 174.85 1pa1 s GLU 499 N -0.01 0.33 0.29 1.98 2.12 -1.26 -5.15 118.70 117.00 1pa1 s GLU 499 Ca 0.25 0.83 -0.28 0.00 0.36 0.00 0.00 54.97 56.13 1pa1 s GLU 499 Cb -0.16 0.00 -0.09 0.00 0.26 0.00 0.00 34.13 34.14 1pa1 s GLU 499 CO 0.12 -0.41 0.95 -0.06 -0.54 0.00 0.00 175.26 175.31 1pa1 s PHE 500 N 2.58 3.81 0.56 5.30 0.08 -1.26 -5.04 117.98 124.02 1pa1 s PHE 500 Ca 0.05 1.84 -0.15 0.00 0.12 0.00 0.00 56.93 58.79 1pa1 s PHE 500 Cb -0.13 -2.96 -0.06 0.00 -0.57 0.00 0.00 43.02 39.30 1pa1 s PHE 500 CO -0.14 0.28 1.01 -1.64 -0.10 0.00 0.00 175.22 174.64 1pa1 s MET 501 N -1.66 3.67 0.26 0.44 -1.94 -1.26 -4.90 119.30 113.91 1pa1 s MET 501 Ca 0.46 0.97 -0.03 0.00 -1.71 0.00 0.00 55.69 55.39 1pa1 s MET 501 Cb -0.22 -2.09 0.42 0.00 2.01 0.00 0.00 34.83 34.94 1pa1 s MET 501 CO 0.28 -0.51 1.85 0.93 -0.01 0.00 0.00 175.02 177.57 1pa1 h GLU 502 N 0.47 0.99 0.00 2.03 4.39 -1.96 -0.52 114.58 119.98 1pa1 h GLU 502 Ca -0.46 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.14 1pa1 h GLU 502 Cb 1.20 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.62 1pa1 h GLU 502 CO 0.60 0.66 -0.18 0.00 -1.16 0.00 0.00 179.01 178.93 1pa1 h MET 503 N 1.02 0.00 -0.30 2.33 -0.00 -1.90 -1.09 114.93 114.99 1pa1 h MET 503 Ca 0.43 0.00 -0.19 0.00 -0.00 0.00 0.00 59.70 59.94 1pa1 h MET 503 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.87 1pa1 h MET 503 CO -0.20 0.18 -0.54 0.93 -0.00 0.00 0.00 176.91 177.27 1pa1 h GLU 504 N 0.00 0.88 -0.55 -0.10 5.08 -1.48 0.03 114.58 118.45 1pa1 h GLU 504 Ca -0.00 -0.55 -0.09 0.00 -1.00 0.00 0.00 59.36 57.72 1pa1 h GLU 504 Cb 0.57 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1pa1 h GLU 504 CO 0.02 1.19 0.01 0.87 -1.00 0.00 0.00 179.01 180.10 1pa1 h LYS 505 N 0.68 0.96 -0.45 2.33 1.57 -0.80 -1.17 116.57 119.69 1pa1 h LYS 505 Ca 0.02 -0.30 -0.06 0.00 -1.87 0.00 0.00 60.65 58.44 1pa1 h LYS 505 Cb 1.15 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 1pa1 h LYS 505 CO 0.12 0.97 0.06 1.49 -0.57 0.00 0.00 179.45 181.52 1pa1 h GLU 506 N 0.84 0.76 -0.42 3.15 4.81 -1.15 -1.75 114.58 120.82 1pa1 h GLU 506 Ca 0.16 -0.21 0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1pa1 h GLU 506 Cb 0.53 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 1pa1 h GLU 506 CO 0.03 0.79 0.10 0.35 -0.73 0.00 0.00 179.01 179.54 1pa1 h PHE 507 N 0.62 0.17 -0.82 0.92 3.57 -0.75 -1.12 116.94 119.53 1pa1 h PHE 507 Ca 0.14 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 1pa1 h PHE 507 Cb 0.41 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 1pa1 h PHE 507 CO 0.03 0.03 0.39 1.49 -2.23 0.00 0.00 178.31 178.02 1pa1 h GLU 508 N 0.24 1.18 -0.66 1.11 4.22 -0.99 -0.15 114.58 119.53 1pa1 h GLU 508 Ca 0.20 -0.17 -0.04 0.00 0.08 0.00 0.00 59.36 59.43 1pa1 h GLU 508 Cb 0.23 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1pa1 h GLU 508 CO -0.25 0.91 0.26 1.96 -2.18 0.00 0.00 179.01 179.71 1pa1 h GLN 509 N 1.16 1.00 -0.29 1.92 4.20 -0.68 0.75 115.11 123.17 1pa1 h GLN 509 Ca 0.28 -0.18 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 1pa1 h GLN 509 Cb 0.12 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1pa1 h GLN 509 CO -0.04 0.83 -0.16 0.82 -0.67 0.00 0.00 178.83 179.62 1pa1 h ILE 510 N 0.94 1.30 -0.05 2.54 2.04 -0.93 -2.32 117.51 121.03 1pa1 h ILE 510 Ca 0.22 -1.27 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 1pa1 h ILE 510 Cb 0.21 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1pa1 h ILE 510 CO -0.02 0.40 0.02 -0.78 0.00 0.00 0.00 178.15 177.78 1pa1 h ASP 511 N 0.36 0.06 -0.85 1.72 3.58 -0.85 0.13 116.42 120.57 1pa1 h ASP 511 Ca 0.06 -0.15 0.06 0.00 0.42 0.00 0.00 57.03 57.42 1pa1 h ASP 511 Cb 0.69 -0.02 -0.06 0.00 1.72 0.00 0.00 39.33 41.66 1pa1 h ASP 511 CO 0.05 0.20 0.52 0.50 -2.88 0.00 0.00 179.24 177.63 1pa1 h LYS 512 N -0.08 0.93 0.00 0.28 3.64 -0.87 -1.81 116.57 118.66 1pa1 h LYS 512 Ca 0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1pa1 h LYS 512 Cb 0.15 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1pa1 h LYS 512 CO -0.00 0.61 -0.26 -1.13 -2.27 0.00 0.00 179.45 176.40 1pa1 n SER 513 N -4.63 0.51 -2.84 4.20 3.41 -0.88 -4.95 113.62 108.45 1pa1 n SER 513 Ca 0.12 0.28 -0.18 0.00 -0.26 0.00 0.00 58.87 58.84 1pa1 n SER 513 Cb 0.17 -0.27 0.06 0.00 -0.26 0.00 0.00 64.21 63.91 1pa1 n SER 513 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pa1 n GLY 514 N 1.40 -0.18 1.50 5.00 0.00 0.37 -4.94 105.19 108.34 1pa1 n GLY 514 Ca 0.05 0.02 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 1pa1 n GLY 514 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pa1 n SER 515 N -1.99 3.60 -0.24 1.61 3.41 -0.72 -4.64 113.62 114.65 1pa1 n SER 515 Ca -0.02 -3.44 -0.06 0.00 -0.26 0.00 0.00 58.87 55.09 1pa1 n SER 515 Cb 0.55 -0.68 0.05 0.00 -0.26 0.00 0.00 64.21 63.87 1pa1 n SER 515 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1pa1 h TRP 516 N 1.60 0.90 -0.49 7.33 4.06 -1.93 -1.00 115.95 126.42 1pa1 h TRP 516 Ca 0.26 -0.01 0.01 0.00 2.06 0.00 0.00 58.89 61.21 1pa1 h TRP 516 Cb 1.99 -0.29 -0.03 0.00 -1.00 0.00 0.00 29.16 29.83 1pa1 h TRP 516 CO 1.08 0.62 0.31 0.00 -3.56 0.00 0.00 178.44 176.89 1pa1 h ALA 517 N 1.20 0.63 -0.51 1.49 0.00 -1.92 0.86 119.26 121.01 1pa1 h ALA 517 Ca 0.24 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1pa1 h ALA 517 Cb -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1pa1 h ALA 517 CO -0.04 0.04 0.11 0.00 0.00 0.00 0.00 179.25 179.36 1pa1 h ALA 518 N 1.20 0.67 -0.36 0.00 0.00 -1.83 0.13 119.26 119.07 1pa1 h ALA 518 Ca 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1pa1 h ALA 518 Cb -0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1pa1 h ALA 518 CO -0.06 0.37 0.20 0.82 0.00 0.00 0.00 179.25 180.58 1pa1 h ILE 519 N 0.71 1.14 -0.36 0.00 1.08 -0.90 -1.83 117.51 117.34 1pa1 h ILE 519 Ca 0.16 -0.36 -0.04 0.00 -0.39 0.00 0.00 64.86 64.23 1pa1 h ILE 519 Cb 0.35 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 1pa1 h ILE 519 CO 0.00 0.14 0.09 0.22 -0.69 0.00 0.00 178.15 177.92 1pa1 h TYR 520 N 0.46 0.61 0.00 1.37 3.20 -0.62 -2.74 116.97 119.24 1pa1 h TYR 520 Ca 0.13 -0.07 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 1pa1 h TYR 520 Cb 0.05 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1pa1 h TYR 520 CO -0.03 0.61 -0.18 1.96 -1.64 0.00 0.00 178.16 178.88 1pa1 h GLN 521 N 0.44 0.00 -0.24 1.82 1.08 -0.60 -1.55 115.11 116.06 1pa1 h GLN 521 Ca 0.11 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.20 1pa1 h GLN 521 Cb 0.30 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 1pa1 h GLN 521 CO 0.00 0.18 -0.34 0.22 -0.95 0.00 0.00 178.83 177.94 1pa1 h ASP 522 N 0.00 0.54 -0.40 1.46 3.58 -1.09 -0.21 116.42 120.30 1pa1 h ASP 522 Ca -0.00 -0.22 -0.07 0.00 0.42 0.00 0.00 57.03 57.16 1pa1 h ASP 522 Cb 0.35 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1pa1 h ASP 522 CO 0.02 0.85 -0.04 0.40 -2.88 0.00 0.00 179.24 177.59 1pa1 h ILE 523 N 0.44 1.27 -0.85 2.25 2.04 -1.03 -1.45 117.51 120.18 1pa1 h ILE 523 Ca 0.05 -1.09 0.04 0.00 1.00 0.00 0.00 64.86 64.86 1pa1 h ILE 523 Cb 0.81 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 1pa1 h ILE 523 CO 0.07 0.37 0.55 0.03 0.00 0.00 0.00 178.15 179.16 1pa1 h ARG 524 N 0.55 1.02 -0.39 2.37 3.08 -0.97 -0.13 114.38 119.92 1pa1 h ARG 524 Ca 0.11 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 1pa1 h ARG 524 Cb 0.54 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1pa1 h ARG 524 CO 0.03 0.68 -0.03 1.25 -1.07 0.00 0.00 179.97 180.82 1pa1 h HIS 525 N 1.05 0.67 -0.00 3.04 2.76 -0.70 -2.95 115.15 119.02 1pa1 h HIS 525 Ca 0.34 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 1pa1 h HIS 525 Cb 0.02 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 28.80 1pa1 h HIS 525 CO -0.02 0.66 -0.41 0.39 -1.30 0.00 0.00 177.93 177.25 1pa1 n GLU 526 N -4.23 0.19 -1.81 5.26 -0.58 -0.58 -4.96 120.64 113.94 1pa1 n GLU 526 Ca 0.02 -0.10 -0.38 0.00 -0.42 0.00 0.00 57.16 56.27 1pa1 n GLU 526 Cb 0.29 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.71 1pa1 n GLU 526 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1pa1 s ALA 527 N -2.88 2.71 0.61 0.62 0.00 -0.11 -4.95 121.76 117.76 1pa1 s ALA 527 Ca 0.14 1.27 -0.19 0.00 0.00 0.00 0.00 51.96 53.19 1pa1 s ALA 527 Cb 0.18 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 1pa1 s ALA 527 CO 0.65 -1.38 1.14 0.43 0.00 0.00 0.00 175.76 176.60 1pa1 n SER 528 N -1.24 1.54 -3.83 0.00 7.64 -1.26 -5.03 113.62 111.45 1pa1 n SER 528 Ca 0.12 0.84 -0.27 0.00 1.01 0.00 0.00 58.87 60.57 1pa1 n SER 528 Cb 0.46 -1.48 -0.17 0.00 -1.01 0.00 0.00 64.21 62.02 1pa1 n SER 528 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1pa1 s ASP 529 N -1.24 2.55 0.14 6.43 2.15 -1.26 -4.96 116.67 120.49 1pa1 s ASP 529 Ca 0.78 -0.56 0.05 0.00 0.43 0.00 0.00 52.55 53.24 1pa1 s ASP 529 Cb -0.41 -0.73 -0.04 0.00 -0.30 0.00 0.00 42.92 41.45 1pa1 s ASP 529 CO 0.45 -0.21 -0.12 -0.36 -0.17 0.00 0.00 175.17 174.76 1pa1 s PHE 530 N 1.77 1.34 0.53 -5.34 0.08 -1.26 -5.14 117.98 109.96 1pa1 s PHE 530 Ca 0.01 -0.67 -0.20 0.00 0.12 0.00 0.00 56.93 56.19 1pa1 s PHE 530 Cb -0.15 -0.68 -0.06 0.00 -0.57 0.00 0.00 43.02 41.56 1pa1 s PHE 530 CO -0.07 0.13 1.12 -1.25 -0.10 0.00 0.00 175.22 175.05 1pa1 s PRO 531 N -3.38 3.43 -0.39 0.24 0.04 -1.26 -4.87 135.00 128.81 1pa1 s PRO 531 Ca 0.14 1.60 0.11 0.00 0.04 0.00 0.00 61.00 62.89 1pa1 s PRO 531 Cb -0.00 -2.04 0.43 0.00 0.04 0.00 0.00 34.50 32.93 1pa1 s PRO 531 CO 0.02 -0.79 1.03 0.00 0.04 0.00 0.00 177.00 177.30 1pa1 h ARG 533 N 2.79 0.88 -0.37 0.00 1.12 -1.93 -2.68 114.38 114.19 1pa1 h ARG 533 Ca 0.12 -0.05 -0.06 0.00 -1.11 0.00 0.00 59.98 58.88 1pa1 h ARG 533 Cb 1.02 -0.20 -0.01 0.00 -0.01 0.00 0.00 29.97 30.76 1pa1 h ARG 533 CO 0.69 0.59 0.01 0.28 -3.11 0.00 0.00 179.97 178.43 1pa1 h VAL 534 N 0.91 1.25 -0.43 0.20 2.07 -1.92 -2.65 116.25 115.69 1pa1 h VAL 534 Ca 0.28 -0.96 0.10 0.00 0.82 0.00 0.00 66.70 66.95 1pa1 h VAL 534 Cb -0.02 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1pa1 h VAL 534 CO -0.10 0.32 0.30 0.00 0.02 0.00 0.00 177.57 178.11 1pa1 h ALA 535 N 0.88 2.22 -0.02 1.67 0.00 -1.79 -2.03 119.26 120.20 1pa1 h ALA 535 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1pa1 h ALA 535 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1pa1 h ALA 535 CO 0.02 -0.33 -0.05 1.63 0.00 0.00 0.00 179.25 180.51 1pa1 n LYS 536 N -4.45 1.58 -1.84 0.00 4.76 -1.02 -4.60 118.16 112.59 1pa1 n LYS 536 Ca 0.07 -0.97 -0.40 0.00 -2.87 0.00 0.00 58.31 54.13 1pa1 n LYS 536 Cb 0.41 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 1pa1 n LYS 536 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1pa1 s LEU 537 N -2.09 4.24 0.30 -0.35 1.43 -0.77 -4.88 118.68 116.56 1pa1 s LEU 537 Ca 0.34 2.95 0.05 0.00 -1.03 0.00 0.00 54.13 56.45 1pa1 s LEU 537 Cb 0.21 -3.78 0.74 0.00 0.03 0.00 0.00 46.19 43.38 1pa1 s LEU 537 CO 0.37 -0.96 1.76 -0.65 0.23 0.00 0.00 176.35 177.09 1pa1 h PRO 538 N 2.75 0.65 0.00 1.29 0.11 -1.91 0.39 132.00 135.28 1pa1 h PRO 538 Ca -0.51 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1pa1 h PRO 538 Cb 1.25 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1pa1 h PRO 538 CO 0.63 0.43 0.00 1.57 -0.21 0.00 0.00 178.00 180.42 1pa1 h LYS 539 N 0.67 0.00 -0.13 1.05 2.10 -1.95 -2.54 116.57 115.77 1pa1 h LYS 539 Ca 0.58 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.23 1pa1 h LYS 539 Cb 0.95 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.28 1pa1 h LYS 539 CO -0.41 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.13 1pa1 n ASN 540 N -2.43 2.91 -0.22 7.07 3.02 0.12 -4.55 115.26 121.18 1pa1 n ASN 540 Ca -0.00 -1.89 0.01 0.00 -0.03 0.00 0.00 54.58 52.67 1pa1 n ASN 540 Cb 0.14 -0.07 0.13 0.00 -0.61 0.00 0.00 39.78 39.36 1pa1 n ASN 540 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1pa1 h LYS 541 N 4.05 0.39 0.00 3.52 3.64 -1.42 0.44 116.57 127.18 1pa1 h LYS 541 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1pa1 h LYS 541 Cb 0.88 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1pa1 h LYS 541 CO 0.00 0.26 0.00 0.27 -2.27 0.00 0.00 179.45 177.71 1pa1 n ASN 542 N -5.01 0.00 -0.90 4.20 0.23 -1.26 -2.50 115.26 110.02 1pa1 n ASN 542 Ca 0.10 -1.26 0.12 0.00 -0.53 0.00 0.00 54.58 53.00 1pa1 n ASN 542 Cb 0.31 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 38.10 1pa1 n ASN 542 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1pa1 n ARG 543 N -0.81 2.18 -4.64 -3.83 1.74 0.14 -4.90 116.66 106.52 1pa1 n ARG 543 Ca 0.14 -1.81 -0.33 0.00 -0.77 0.00 0.00 57.85 55.07 1pa1 n ARG 543 Cb 0.06 -1.46 -0.14 0.00 -1.02 0.00 0.00 32.46 29.91 1pa1 n ARG 543 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1pa1 s ASN 544 N -2.03 4.30 0.10 0.55 0.01 -1.04 -4.45 114.94 112.37 1pa1 s ASN 544 Ca 0.27 -0.25 -0.09 0.00 -0.71 0.00 0.00 52.86 52.07 1pa1 s ASN 544 Cb 0.20 -1.67 -0.17 0.00 0.41 0.00 0.00 41.25 40.02 1pa1 s ASN 544 CO 0.33 0.17 1.24 -0.09 -1.51 0.00 0.00 177.10 177.23 1pa1 h ARG 545 N 6.68 0.54 -4.82 -0.60 2.43 -1.89 -3.44 114.38 113.28 1pa1 h ARG 545 Ca -0.28 -0.60 -0.55 0.00 -0.81 0.00 0.00 59.98 57.75 1pa1 h ARG 545 Cb 1.20 0.17 -0.33 0.00 -0.42 0.00 0.00 29.97 30.60 1pa1 h ARG 545 CO 0.58 1.22 -0.83 0.71 -1.51 0.00 0.00 179.97 180.14 1pa1 s TYR 546 N -3.25 1.67 0.37 2.20 2.02 -1.26 -5.03 117.35 114.08 1pa1 s TYR 546 Ca -0.08 -0.60 0.28 0.00 -0.37 0.00 0.00 57.07 56.30 1pa1 s TYR 546 Cb 0.08 -1.18 1.43 0.00 -0.40 0.00 0.00 41.96 41.89 1pa1 s TYR 546 CO 0.89 -0.27 2.05 0.07 -1.57 0.00 0.00 175.55 176.72 1pa1 h ARG 547 N 6.77 0.00 -0.73 -0.62 0.11 -1.97 -2.77 114.38 115.16 1pa1 h ARG 547 Ca -0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.79 1pa1 h ARG 547 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1pa1 h ARG 547 CO 0.47 0.12 0.00 -0.40 0.10 0.00 0.00 179.97 180.26 1pa1 n ASP 548 N -3.54 3.94 -3.93 0.08 5.75 -1.26 -4.77 116.55 112.81 1pa1 n ASP 548 Ca -0.01 -2.00 -0.30 0.00 -0.01 0.00 0.00 54.79 52.46 1pa1 n ASP 548 Cb 0.26 -0.49 -0.15 0.00 -1.03 0.00 0.00 41.12 39.70 1pa1 n ASP 548 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1pa1 s VAL 549 N -1.02 1.56 0.07 2.12 1.01 -1.05 -5.08 120.40 118.01 1pa1 s VAL 549 Ca 0.49 -1.36 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1pa1 s VAL 549 Cb 0.26 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 1pa1 s VAL 549 CO 0.34 -0.20 -0.08 -0.44 0.00 0.00 0.00 175.10 174.72 1pa1 s SER 550 N 1.36 1.04 0.25 3.32 0.01 -1.26 -4.65 113.70 113.77 1pa1 s SER 550 Ca -0.03 -0.74 -0.26 0.00 1.31 0.00 0.00 55.95 56.23 1pa1 s SER 550 Cb -0.19 0.05 -0.09 0.00 0.21 0.00 0.00 66.02 66.00 1pa1 s SER 550 CO -0.08 -0.29 0.87 -2.16 0.41 0.00 0.00 173.24 171.99 1pa1 s PRO 551 N -2.48 4.63 0.54 12.44 0.04 -1.26 -4.54 135.00 144.36 1pa1 s PRO 551 Ca -0.01 1.28 -0.21 0.00 0.04 0.00 0.00 61.00 62.11 1pa1 s PRO 551 Cb -0.04 -3.07 -0.05 0.00 0.04 0.00 0.00 34.50 31.37 1pa1 s PRO 551 CO -0.01 0.44 1.24 -0.06 0.04 0.00 0.00 177.00 178.65 1pa1 s PHE 552 N -1.35 2.50 0.29 0.56 0.08 -1.26 -4.56 117.98 114.25 1pa1 s PHE 552 Ca 0.43 1.48 -0.02 0.00 0.12 0.00 0.00 56.93 58.94 1pa1 s PHE 552 Cb -0.22 -3.55 0.44 0.00 -0.57 0.00 0.00 43.02 39.12 1pa1 s PHE 552 CO 0.27 -2.21 1.92 -0.44 -0.10 0.00 0.00 175.22 174.65 1pa1 h ASP 553 N 1.41 0.87 0.65 1.36 3.32 -1.02 -2.03 116.42 120.98 1pa1 h ASP 553 Ca -0.50 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 56.44 1pa1 h ASP 553 Cb 1.28 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 1pa1 h ASP 553 CO 0.57 0.71 -0.19 1.12 -1.72 0.00 0.00 179.24 179.74 1pa1 h HIS 554 N 0.98 0.00 -0.05 4.55 2.07 -1.92 -3.15 115.15 117.65 1pa1 h HIS 554 Ca 0.25 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.77 1pa1 h HIS 554 Cb 0.04 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.02 1pa1 h HIS 554 CO 0.01 0.19 0.00 -1.13 -3.07 0.00 0.00 177.93 173.92 1pa1 n SER 555 N -3.51 2.01 -4.78 3.10 3.41 -1.14 -5.05 113.62 107.67 1pa1 n SER 555 Ca -0.01 -1.88 -0.35 0.00 -0.26 0.00 0.00 58.87 56.36 1pa1 n SER 555 Cb 0.34 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.25 1pa1 n SER 555 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pa1 s ARG 556 N -0.89 3.58 -0.02 4.33 1.70 -0.78 -0.54 118.95 126.33 1pa1 s ARG 556 Ca 0.03 1.60 -0.27 0.00 -0.47 0.00 0.00 55.73 56.63 1pa1 s ARG 556 Cb 0.02 -2.15 -0.04 0.00 -0.57 0.00 0.00 34.95 32.21 1pa1 s ARG 556 CO 0.02 -0.66 0.85 0.42 -1.08 0.00 0.00 175.30 174.85 1pa1 s ILE 557 N -1.74 4.92 -0.19 4.99 -1.09 -0.69 -4.79 121.20 122.61 1pa1 s ILE 557 Ca 0.69 1.79 -0.09 0.00 -2.23 0.00 0.00 60.65 60.81 1pa1 s ILE 557 Cb -0.24 -4.20 -0.05 0.00 -1.58 0.00 0.00 42.46 36.40 1pa1 s ILE 557 CO 0.28 0.22 0.10 -0.54 -1.23 0.00 0.00 174.94 173.76 1pa1 s LYS 558 N 0.81 4.08 0.53 2.79 1.02 -1.26 -4.22 119.74 123.48 1pa1 s LYS 558 Ca 0.45 -0.27 -0.18 0.00 0.02 0.00 0.00 55.97 55.99 1pa1 s LYS 558 Cb -0.20 -3.32 -0.07 0.00 -0.52 0.00 0.00 37.83 33.72 1pa1 s LYS 558 CO 0.24 0.30 1.04 -0.51 -0.92 0.00 0.00 175.35 175.50 1pa1 s LEU 559 N 0.32 3.68 -0.68 3.17 1.43 -0.04 -5.02 118.68 121.54 1pa1 s LEU 559 Ca 0.06 1.83 0.05 0.00 -1.03 0.00 0.00 54.13 55.03 1pa1 s LEU 559 Cb -0.12 -4.54 0.28 0.00 0.03 0.00 0.00 46.19 41.84 1pa1 s LEU 559 CO -0.01 -0.89 0.90 1.41 0.23 0.00 0.00 176.35 177.99 1pa1 n HIS 560 N -1.45 3.58 -3.44 0.29 8.25 -1.26 -4.59 115.22 116.60 1pa1 n HIS 560 Ca 0.09 -3.91 -0.10 0.00 -0.26 0.00 0.00 57.72 53.53 1pa1 n HIS 560 Cb 0.53 -0.64 -0.09 0.00 1.12 0.00 0.00 29.99 30.91 1pa1 n HIS 560 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1pa1 s GLN 561 N -2.80 0.31 0.00 -0.41 -0.21 -1.26 -5.05 119.66 110.23 1pa1 s GLN 561 Ca 0.41 0.59 0.00 0.00 0.02 0.00 0.00 55.36 56.38 1pa1 s GLN 561 Cb 0.17 -0.40 0.00 0.00 1.00 0.00 0.00 33.01 33.78 1pa1 s GLN 561 CO -0.03 -0.56 0.00 0.39 -2.12 0.00 0.00 175.29 172.97 1pa1 n GLU 562 N 5.36 0.00 0.00 2.91 4.71 -1.26 -4.37 120.64 127.99 1pa1 n GLU 562 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.10 1pa1 n GLU 562 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.93 1pa1 n GLU 562 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1pa1 n ASP 563 N 0.00 0.00 -4.67 1.62 2.03 -1.26 -5.11 116.55 109.16 1pa1 n ASP 563 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1pa1 n ASP 563 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 1pa1 n ASP 563 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1pa1 s ASN 564 N -4.00 7.01 -0.01 1.67 3.84 -1.26 -4.96 114.94 117.22 1pa1 s ASN 564 Ca 0.00 1.24 0.13 0.00 0.21 0.00 0.00 52.86 54.44 1pa1 s ASN 564 Cb 0.00 -2.48 0.38 0.00 -0.55 0.00 0.00 41.25 38.61 1pa1 s ASN 564 CO 0.00 -0.45 1.30 -0.90 -2.79 0.00 0.00 177.10 174.26 1pa1 n ASP 565 N 5.41 2.42 -4.73 -4.21 5.68 -1.26 -4.86 116.55 114.99 1pa1 n ASP 565 Ca 0.06 -2.05 -0.39 0.00 -0.50 0.00 0.00 54.79 51.91 1pa1 n ASP 565 Cb 0.48 -0.32 -0.05 0.00 -1.14 0.00 0.00 41.12 40.09 1pa1 n ASP 565 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1pa1 s TYR 566 N -1.49 3.56 -0.00 2.11 5.04 -1.26 -0.86 117.35 124.46 1pa1 s TYR 566 Ca 0.29 1.06 -0.01 0.00 -2.44 0.00 0.00 57.07 55.96 1pa1 s TYR 566 Cb 0.16 -2.64 -0.01 0.00 0.35 0.00 0.00 41.96 39.82 1pa1 s TYR 566 CO 0.18 0.18 0.02 -1.50 -1.34 0.00 0.00 175.55 173.10 1pa1 s ILE 567 N 0.52 0.05 -1.05 3.14 2.07 -1.26 -4.93 121.20 119.73 1pa1 s ILE 567 Ca 0.30 -0.39 -0.21 0.00 -1.41 0.00 0.00 60.65 58.94 1pa1 s ILE 567 Cb -0.16 -0.17 0.07 0.00 0.13 0.00 0.00 42.46 42.33 1pa1 s ILE 567 CO 0.14 -0.22 1.44 0.21 -1.91 0.00 0.00 174.94 174.60 1pa1 s ASN 568 N -0.65 6.59 -0.13 4.50 3.84 -1.26 -4.65 114.94 123.18 1pa1 s ASN 568 Ca -0.07 -1.75 -0.25 0.00 0.21 0.00 0.00 52.86 51.00 1pa1 s ASN 568 Cb -0.04 -2.54 0.06 0.00 -0.55 0.00 0.00 41.25 38.18 1pa1 s ASN 568 CO -0.00 -1.36 0.60 0.00 -2.79 0.00 0.00 177.10 173.55 1pa1 s ALA 569 N 4.36 -1.53 0.01 1.71 0.00 -1.26 -2.89 121.76 122.15 1pa1 s ALA 569 Ca 0.45 1.38 0.05 0.00 0.00 0.00 0.00 51.96 53.83 1pa1 s ALA 569 Cb -0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 1pa1 s ALA 569 CO -0.07 -0.32 -0.14 -1.12 0.00 0.00 0.00 175.76 174.11 1pa1 s SER 570 N -0.53 1.65 -0.39 0.00 0.01 -0.02 -1.71 113.70 112.71 1pa1 s SER 570 Ca -0.06 -0.34 -0.20 0.00 1.31 0.00 0.00 55.95 56.66 1pa1 s SER 570 Cb -0.03 -0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.06 1pa1 s SER 570 CO 0.05 0.11 0.59 -0.22 0.41 0.00 0.00 173.24 174.18 1pa1 s LEU 571 N -0.67 4.44 -0.65 2.44 2.96 0.30 -1.16 118.68 126.33 1pa1 s LEU 571 Ca 0.04 -0.18 -0.21 0.00 -0.22 0.00 0.00 54.13 53.57 1pa1 s LEU 571 Cb -0.06 -2.67 0.09 0.00 0.50 0.00 0.00 46.19 44.05 1pa1 s LEU 571 CO 0.00 -0.63 0.87 -0.63 -1.32 0.00 0.00 176.35 174.64 1pa1 s ILE 572 N 2.61 4.56 -0.49 6.68 -1.09 0.64 -4.87 121.20 129.24 1pa1 s ILE 572 Ca 0.21 -0.71 -0.14 0.00 -2.23 0.00 0.00 60.65 57.78 1pa1 s ILE 572 Cb -0.15 -4.61 0.10 0.00 -1.58 0.00 0.00 42.46 36.22 1pa1 s ILE 572 CO 0.16 -1.33 0.40 -0.75 -1.23 0.00 0.00 174.94 172.20 1pa1 s LYS 573 N 3.40 2.86 -0.71 2.79 2.20 -1.26 -1.53 119.74 127.48 1pa1 s LYS 573 Ca 0.18 -1.53 -0.20 0.00 -0.36 0.00 0.00 55.97 54.06 1pa1 s LYS 573 Cb -0.19 -4.11 0.10 0.00 -1.51 0.00 0.00 37.83 32.13 1pa1 s LYS 573 CO 0.07 -1.13 0.91 -1.64 -0.36 0.00 0.00 175.35 173.20 1pa1 s MET 574 N 1.56 3.23 0.09 4.03 -1.94 -0.75 -4.92 119.30 120.61 1pa1 s MET 574 Ca 0.04 -1.28 -0.27 0.00 -1.71 0.00 0.00 55.69 52.47 1pa1 s MET 574 Cb -0.26 -4.42 -0.14 0.00 2.01 0.00 0.00 34.83 32.02 1pa1 s MET 574 CO 0.04 -1.70 1.68 1.49 -0.01 0.00 0.00 175.02 176.52 1pa1 h GLU 575 N 9.19 -0.38 -0.42 2.03 4.81 -1.95 0.63 114.58 128.50 1pa1 h GLU 575 Ca -0.16 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 1pa1 h GLU 575 Cb 1.06 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1pa1 h GLU 575 CO 1.12 -0.25 0.19 1.49 -0.73 0.00 0.00 179.01 180.84 1pa1 h GLU 576 N -0.39 0.62 0.00 1.92 4.81 -1.96 -2.80 114.58 116.77 1pa1 h GLU 576 Ca -0.01 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1pa1 h GLU 576 Cb 0.34 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 1pa1 h GLU 576 CO -0.01 0.54 -0.12 0.00 -0.73 0.00 0.00 179.01 178.69 1pa1 h ALA 577 N 1.04 1.00 -4.90 2.92 0.00 -1.93 -3.47 119.26 113.91 1pa1 h ALA 577 Ca 0.14 -0.11 -0.32 0.00 0.00 0.00 0.00 54.91 54.63 1pa1 h ALA 577 Cb 0.14 -0.02 0.12 0.00 0.00 0.00 0.00 17.79 18.02 1pa1 h ALA 577 CO -0.02 0.15 -0.56 1.04 0.00 0.00 0.00 179.25 179.87 1pa1 n GLN 578 N -3.24 -6.31 -3.91 0.00 1.13 0.20 -4.90 117.38 100.36 1pa1 n GLN 578 Ca 0.01 0.67 -0.11 0.00 -1.94 0.00 0.00 57.00 55.63 1pa1 n GLN 578 Cb 0.41 -5.22 -0.12 0.00 0.11 0.00 0.00 30.24 25.41 1pa1 n GLN 578 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1pa1 s ARG 579 N -5.95 0.21 0.14 -1.09 3.52 -1.13 -4.93 118.95 109.71 1pa1 s ARG 579 Ca 0.42 -0.28 0.08 0.00 -0.13 0.00 0.00 55.73 55.82 1pa1 s ARG 579 Cb -0.18 0.08 -0.04 0.00 -1.56 0.00 0.00 34.95 33.25 1pa1 s ARG 579 CO 0.59 -0.04 -0.20 -1.12 -0.81 0.00 0.00 175.30 173.72 1pa1 s SER 580 N -0.77 2.65 0.03 -2.12 0.01 -1.26 -1.80 113.70 110.43 1pa1 s SER 580 Ca -0.09 -0.78 0.01 0.00 1.31 0.00 0.00 55.95 56.41 1pa1 s SER 580 Cb -0.05 -0.15 -0.02 0.00 0.21 0.00 0.00 66.02 66.00 1pa1 s SER 580 CO -0.00 0.01 -0.06 -0.31 0.41 0.00 0.00 173.24 173.30 1pa1 s TYR 581 N -1.62 0.47 -0.23 2.43 1.51 -0.58 -4.02 117.35 115.32 1pa1 s TYR 581 Ca 0.12 -0.51 -0.06 0.00 -1.01 0.00 0.00 57.07 55.61 1pa1 s TYR 581 Cb -0.08 -0.30 -0.02 0.00 -0.11 0.00 0.00 41.96 41.45 1pa1 s TYR 581 CO 0.06 -0.13 0.03 0.42 -1.11 0.00 0.00 175.55 174.81 1pa1 s ILE 582 N -1.39 4.03 -0.16 2.71 1.01 0.27 -0.26 121.20 127.40 1pa1 s ILE 582 Ca -0.13 -0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.20 1pa1 s ILE 582 Cb -0.10 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 1pa1 s ILE 582 CO -0.00 0.39 0.01 -0.76 0.00 0.00 0.00 174.94 174.58 1pa1 s LEU 583 N 1.34 3.54 0.11 2.97 1.02 -0.31 -0.18 118.68 127.18 1pa1 s LEU 583 Ca 0.05 -0.01 -0.06 0.00 0.02 0.00 0.00 54.13 54.13 1pa1 s LEU 583 Cb -0.15 -1.87 -0.02 0.00 0.02 0.00 0.00 46.19 44.18 1pa1 s LEU 583 CO 0.02 0.19 0.15 0.28 0.02 0.00 0.00 176.35 177.00 1pa1 s THR 584 N 0.26 0.13 0.76 5.49 -1.32 -0.63 -0.84 115.64 119.50 1pa1 s THR 584 Ca 0.00 -1.48 -0.11 0.00 -1.21 0.00 0.00 61.69 58.89 1pa1 s THR 584 Cb -0.13 -1.63 0.05 0.00 -1.51 0.00 0.00 72.50 69.27 1pa1 s THR 584 CO 0.02 -0.59 1.09 0.00 -2.21 0.00 0.00 174.62 172.92 1pa1 s GLN 585 N -3.93 2.42 0.13 7.08 -2.07 -1.14 -3.77 119.66 118.37 1pa1 s GLN 585 Ca 0.12 0.68 -0.31 0.00 -1.82 0.00 0.00 55.36 54.02 1pa1 s GLN 585 Cb 0.06 -1.95 -0.09 0.00 -1.09 0.00 0.00 33.01 29.93 1pa1 s GLN 585 CO -0.06 -1.40 1.56 0.20 -1.32 0.00 0.00 175.29 174.28 1pa1 s GLY 586 N -3.96 1.62 0.70 2.60 0.00 0.46 -4.83 107.32 103.90 1pa1 s GLY 586 Ca 0.60 1.28 -0.16 0.00 0.00 0.00 0.00 44.72 46.44 1pa1 s GLY 586 CO 0.54 2.66 1.27 2.56 0.00 0.00 0.00 173.10 180.13 1pa1 s PRO 587 N 1.57 2.23 0.47 2.90 0.04 -1.26 -4.71 135.00 136.24 1pa1 s PRO 587 Ca 0.70 1.97 0.02 0.00 0.04 0.00 0.00 61.00 63.73 1pa1 s PRO 587 Cb -0.42 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.32 1pa1 s PRO 587 CO 0.31 -1.82 0.68 -0.51 0.04 0.00 0.00 177.00 175.71 1pa1 s LEU 588 N -4.82 3.54 0.56 -3.56 1.43 -1.26 -0.83 118.68 113.73 1pa1 s LEU 588 Ca 0.80 0.05 0.27 0.00 -1.03 0.00 0.00 54.13 54.22 1pa1 s LEU 588 Cb -0.35 -2.96 1.49 0.00 0.03 0.00 0.00 46.19 44.41 1pa1 s LEU 588 CO 0.43 -0.85 2.02 -0.65 0.23 0.00 0.00 176.35 177.53 1pa1 h PRO 589 N 0.34 0.00 -0.03 1.29 0.11 -1.96 -0.75 132.00 131.00 1pa1 h PRO 589 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1pa1 h PRO 589 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1pa1 h PRO 589 CO 0.54 0.00 -0.07 0.27 -0.21 0.00 0.00 178.00 178.53 1pa1 n ASN 590 N -4.07 2.67 -0.04 -2.05 6.94 -1.26 -4.38 115.26 113.07 1pa1 n ASN 590 Ca 0.06 -1.86 0.05 0.00 -0.02 0.00 0.00 54.58 52.81 1pa1 n ASN 590 Cb 0.51 0.07 0.07 0.00 -2.36 0.00 0.00 39.78 38.06 1pa1 n ASN 590 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1pa1 n THR 591 N 1.00 1.42 -0.03 5.53 -2.24 -0.30 -4.67 114.28 115.00 1pa1 n THR 591 Ca 0.14 -1.60 -0.08 0.00 -2.27 0.00 0.00 64.05 60.24 1pa1 n THR 591 Cb 0.55 0.15 0.09 0.00 -2.10 0.00 0.00 70.33 69.02 1pa1 n THR 591 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pa1 h GLY 593 N 1.01 0.80 1.01 0.00 0.00 -1.90 -2.16 103.07 101.82 1pa1 h GLY 593 Ca 0.04 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 46.92 1pa1 h GLY 593 CO 0.08 0.44 0.53 0.45 0.00 0.00 0.00 176.54 178.04 1pa1 h HIS 594 N 0.64 1.02 -0.10 5.60 3.86 -1.78 -0.39 115.15 124.00 1pa1 h HIS 594 Ca 0.16 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.40 1pa1 h HIS 594 Cb 0.26 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 1pa1 h HIS 594 CO 0.01 0.64 0.00 0.35 0.86 0.00 0.00 177.93 179.80 1pa1 h PHE 595 N 1.09 -0.00 0.00 2.45 3.57 -0.73 0.15 116.94 123.48 1pa1 h PHE 595 Ca 0.30 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.72 1pa1 h PHE 595 Cb -0.12 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 1pa1 h PHE 595 CO -0.02 -0.01 -0.39 -1.49 -2.23 0.00 0.00 178.31 174.18 1pa1 h TRP 596 N 0.04 0.00 -0.54 0.41 4.06 -1.18 -1.41 115.95 117.33 1pa1 h TRP 596 Ca 0.04 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.92 1pa1 h TRP 596 Cb 0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.19 1pa1 h TRP 596 CO -0.13 0.39 0.06 1.49 -3.56 0.00 0.00 178.44 176.69 1pa1 h GLU 597 N 0.00 0.92 -0.37 0.49 4.81 -0.61 -0.29 114.58 119.53 1pa1 h GLU 597 Ca -0.00 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 58.94 1pa1 h GLU 597 Cb 0.83 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 1pa1 h GLU 597 CO 0.05 0.91 0.15 1.98 -0.73 0.00 0.00 179.01 181.36 1pa1 h MET 598 N 0.80 0.56 -0.54 1.92 4.05 -0.52 0.11 114.93 121.30 1pa1 h MET 598 Ca 0.16 -0.10 0.05 0.00 -0.28 0.00 0.00 59.70 59.53 1pa1 h MET 598 Cb 0.45 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.11 1pa1 h MET 598 CO 0.02 0.54 0.26 0.28 0.23 0.00 0.00 176.91 178.24 1pa1 h VAL 599 N 0.45 0.93 0.68 -5.77 2.07 -0.99 -0.01 116.25 113.61 1pa1 h VAL 599 Ca 0.12 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 1pa1 h VAL 599 Cb 0.19 0.38 0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1pa1 h VAL 599 CO -0.01 0.09 -0.33 -0.25 0.02 0.00 0.00 177.57 177.10 1pa1 h TRP 600 N 0.51 -0.85 -0.59 1.57 2.91 -0.67 -2.23 115.95 116.60 1pa1 h TRP 600 Ca 0.25 -0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.27 1pa1 h TRP 600 Cb 0.18 0.28 -0.03 0.00 -0.51 0.00 0.00 29.16 29.08 1pa1 h TRP 600 CO -0.11 -0.50 0.39 0.93 -1.03 0.00 0.00 178.44 178.12 1pa1 h GLU 601 N -1.01 0.72 -0.01 2.65 5.08 -0.68 -1.90 114.58 119.43 1pa1 h GLU 601 Ca -0.09 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1pa1 h GLU 601 Cb 0.73 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1pa1 h GLU 601 CO 0.15 0.47 -0.07 1.04 -1.00 0.00 0.00 179.01 179.60 1pa1 n GLN 602 N -4.46 1.22 -2.37 2.33 1.13 -0.03 -4.94 117.38 110.26 1pa1 n GLN 602 Ca 0.06 -0.60 -0.19 0.00 -1.94 0.00 0.00 57.00 54.34 1pa1 n GLN 602 Cb 0.10 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 28.95 1pa1 n GLN 602 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1pa1 n LYS 603 N -0.37 -1.59 -2.19 -1.09 5.02 -0.71 -4.01 118.16 113.21 1pa1 n LYS 603 Ca 0.17 0.90 -0.36 0.00 -2.02 0.00 0.00 58.31 57.00 1pa1 n LYS 603 Cb 0.30 -5.44 0.00 0.00 -0.02 0.00 0.00 35.03 29.88 1pa1 n LYS 603 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1pa1 s SER 604 N -2.18 5.84 -0.10 4.39 0.01 -0.95 -1.12 113.70 119.58 1pa1 s SER 604 Ca 0.01 2.31 0.13 0.00 1.31 0.00 0.00 55.95 59.72 1pa1 s SER 604 Cb -0.00 -2.60 -0.19 0.00 0.21 0.00 0.00 66.02 63.43 1pa1 s SER 604 CO 0.01 -1.15 0.14 -1.14 0.41 0.00 0.00 173.24 171.52 1pa1 n ARG 605 N -0.92 1.31 -4.18 12.44 0.00 -1.26 -4.87 116.66 119.18 1pa1 n ARG 605 Ca 0.10 -0.05 -0.18 0.00 -0.00 0.00 0.00 57.85 57.72 1pa1 n ARG 605 Cb 0.49 -1.36 -0.12 0.00 0.00 0.00 0.00 32.46 31.47 1pa1 n ARG 605 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1pa1 s GLY 606 N -4.43 0.90 -0.09 5.14 0.00 -1.26 -1.01 107.32 106.57 1pa1 s GLY 606 Ca -0.07 -1.07 0.02 0.00 0.00 0.00 0.00 44.72 43.60 1pa1 s GLY 606 CO 0.60 -1.11 -0.14 0.14 0.00 0.00 0.00 173.10 172.59 1pa1 s VAL 607 N -1.54 1.37 -0.26 1.40 1.01 0.05 -1.95 120.40 120.48 1pa1 s VAL 607 Ca 0.01 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 1pa1 s VAL 607 Cb -0.08 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 35.05 1pa1 s VAL 607 CO 0.02 0.41 0.01 -0.69 0.00 0.00 0.00 175.10 174.85 1pa1 s VAL 608 N 0.88 3.59 -0.21 2.92 1.01 0.14 -0.53 120.40 128.21 1pa1 s VAL 608 Ca -0.09 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 1pa1 s VAL 608 Cb -0.15 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 1pa1 s VAL 608 CO 0.01 0.25 -0.02 -0.32 0.00 0.00 0.00 175.10 175.01 1pa1 s MET 609 N 1.47 3.48 -0.04 2.72 0.00 0.31 -1.15 119.30 126.09 1pa1 s MET 609 Ca 0.04 -0.58 0.14 0.00 0.00 0.00 0.00 55.69 55.28 1pa1 s MET 609 Cb -0.16 -3.04 0.41 0.00 0.00 0.00 0.00 34.83 32.04 1pa1 s MET 609 CO -0.01 -0.12 1.34 1.28 0.00 0.00 0.00 175.02 177.52 1pa1 n LEU 610 N 4.59 3.34 -4.40 4.11 4.77 -0.42 -0.66 117.00 128.33 1pa1 n LEU 610 Ca -0.18 -2.20 -0.20 0.00 -0.03 0.00 0.00 56.01 53.41 1pa1 n LEU 610 Cb 0.51 -0.34 -0.10 0.00 -2.33 0.00 0.00 43.42 41.16 1pa1 n LEU 610 CO 0.30 0.76 -0.25 0.54 -1.33 0.00 0.00 177.39 177.40 1pa1 s ASN 611 N -1.14 1.93 0.15 -1.43 4.22 -1.25 -4.68 114.94 112.75 1pa1 s ASN 611 Ca 0.31 -1.42 0.04 0.00 -2.14 0.00 0.00 52.86 49.65 1pa1 s ASN 611 Cb 0.19 0.09 -0.04 0.00 1.28 0.00 0.00 41.25 42.77 1pa1 s ASN 611 CO 0.17 -0.70 0.22 -0.13 -2.04 0.00 0.00 177.10 174.62 1pa1 s ARG 612 N -3.93 3.20 0.23 3.55 0.52 -1.26 -4.81 118.95 116.46 1pa1 s ARG 612 Ca 0.36 -0.72 -0.08 0.00 -0.52 0.00 0.00 55.73 54.78 1pa1 s ARG 612 Cb 0.08 -2.83 0.22 0.00 0.52 0.00 0.00 34.95 32.94 1pa1 s ARG 612 CO 0.15 0.51 1.91 0.28 0.02 0.00 0.00 175.30 178.16 1pa1 h VAL 613 N 1.82 1.22 -3.33 3.52 2.07 -1.95 -3.39 116.25 116.21 1pa1 h VAL 613 Ca -0.48 -0.41 -0.66 0.00 0.82 0.00 0.00 66.70 65.97 1pa1 h VAL 613 Cb 1.20 -0.09 -0.27 0.00 -1.52 0.00 0.00 31.29 30.60 1pa1 h VAL 613 CO 0.66 0.22 -0.74 -0.32 0.02 0.00 0.00 177.57 177.41 1pa1 s MET 614 N -6.12 3.38 -0.01 1.57 -2.45 -1.26 -0.56 119.30 113.85 1pa1 s MET 614 Ca -0.13 -0.65 0.01 0.00 -1.25 0.00 0.00 55.69 53.67 1pa1 s MET 614 Cb 0.17 -2.82 0.00 0.00 1.25 0.00 0.00 34.83 33.43 1pa1 s MET 614 CO 0.80 0.01 -0.03 -1.21 1.05 0.00 0.00 175.02 175.64 1pa1 s GLU 615 N 0.91 0.31 -1.60 4.11 2.02 -0.46 -4.85 118.70 119.14 1pa1 s GLU 615 Ca -0.02 -0.09 -0.16 0.00 0.02 0.00 0.00 54.97 54.73 1pa1 s GLU 615 Cb -0.15 -0.34 0.12 0.00 0.10 0.00 0.00 34.13 33.86 1pa1 s GLU 615 CO 0.00 0.03 0.91 1.63 0.02 0.00 0.00 175.26 177.85 1pa1 n LYS 616 N 3.26 -4.59 -0.90 1.61 5.02 -1.26 -1.54 118.16 119.76 1pa1 n LYS 616 Ca -0.16 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 1pa1 n LYS 616 Cb 0.57 -5.33 0.00 0.00 -0.02 0.00 0.00 35.03 30.24 1pa1 n LYS 616 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pa1 n GLY 617 N -1.58 0.59 3.32 0.72 0.00 -1.26 -5.00 105.19 101.99 1pa1 n GLY 617 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 1pa1 n GLY 617 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pa1 s SER 618 N -2.48 2.74 -0.56 1.61 0.15 -0.59 -5.09 113.70 109.48 1pa1 s SER 618 Ca 0.00 -0.78 -0.24 0.00 0.70 0.00 0.00 55.95 55.63 1pa1 s SER 618 Cb 0.00 -0.16 0.04 0.00 -1.71 0.00 0.00 66.02 64.19 1pa1 s SER 618 CO 0.00 0.04 0.97 -0.76 1.20 0.00 0.00 173.24 174.69 1pa1 s LEU 619 N -2.28 4.05 0.00 3.45 1.43 -1.26 -1.35 118.68 122.72 1pa1 s LEU 619 Ca 0.12 -0.35 0.26 0.00 -1.03 0.00 0.00 54.13 53.12 1pa1 s LEU 619 Cb -0.08 -2.83 0.64 0.00 0.03 0.00 0.00 46.19 43.95 1pa1 s LEU 619 CO 0.06 -1.27 1.50 0.29 0.23 0.00 0.00 176.35 177.16 1pa1 n LYS 620 N 7.58 0.25 -3.61 1.70 4.76 0.27 -4.89 118.16 124.22 1pa1 n LYS 620 Ca 0.02 -0.14 -0.11 0.00 -2.87 0.00 0.00 58.31 55.21 1pa1 n LYS 620 Cb 0.47 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 32.10 1pa1 n LYS 620 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pa1 s ALA 622 N -0.13 2.57 -1.12 0.00 0.00 -0.01 -4.73 121.76 118.34 1pa1 s ALA 622 Ca 0.00 0.22 -0.19 0.00 0.00 0.00 0.00 51.96 51.99 1pa1 s ALA 622 Cb -0.04 -3.22 0.08 0.00 0.00 0.00 0.00 23.12 19.95 1pa1 s ALA 622 CO -0.02 -1.29 1.50 -1.14 0.00 0.00 0.00 175.76 174.80 1pa1 s GLN 623 N -4.77 3.79 0.00 0.00 2.00 -1.26 -4.78 119.66 114.64 1pa1 s GLN 623 Ca 0.60 -1.70 0.28 0.00 -2.00 0.00 0.00 55.36 52.54 1pa1 s GLN 623 Cb -0.16 -5.31 1.00 0.00 0.80 0.00 0.00 33.01 29.35 1pa1 s GLN 623 CO 0.51 -2.10 1.72 2.48 -0.50 0.00 0.00 175.29 177.40 1pa1 n TYR 624 N 7.94 0.01 -4.29 1.67 0.18 -1.26 -4.87 117.16 116.53 1pa1 n TYR 624 Ca 0.37 -0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.99 1pa1 n TYR 624 Cb 0.48 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.34 1pa1 n TYR 624 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 1pa1 s TRP 625 N -1.99 1.46 0.19 -3.48 -2.14 -1.26 -5.06 118.94 106.65 1pa1 s TRP 625 Ca 0.37 -0.67 -0.30 0.00 2.66 0.00 0.00 56.10 58.17 1pa1 s TRP 625 Cb 0.21 -0.71 -0.08 0.00 -3.10 0.00 0.00 33.47 29.79 1pa1 s TRP 625 CO 0.33 0.20 1.08 -2.14 -2.66 0.00 0.00 176.95 173.76 1pa1 s PRO 626 N -3.65 4.63 0.05 3.25 0.02 -1.26 -4.95 135.00 133.08 1pa1 s PRO 626 Ca 0.19 1.69 0.23 0.00 0.02 0.00 0.00 61.00 63.13 1pa1 s PRO 626 Cb 0.01 -3.27 0.12 0.00 0.02 0.00 0.00 34.50 31.37 1pa1 s PRO 626 CO 0.03 0.13 1.09 1.04 -0.33 0.00 0.00 177.00 178.97 1pa1 n GLN 627 N 2.19 0.23 -4.19 5.54 6.02 -1.26 -4.65 117.38 121.26 1pa1 n GLN 627 Ca 0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.84 1pa1 n GLN 627 Cb 0.46 -1.58 -0.15 0.00 1.02 0.00 0.00 30.24 29.99 1pa1 n GLN 627 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1pa1 s LYS 628 N -3.15 0.58 0.26 -1.09 1.02 -1.26 -5.05 119.74 111.05 1pa1 s LYS 628 Ca 0.05 -0.18 -0.03 0.00 0.02 0.00 0.00 55.97 55.83 1pa1 s LYS 628 Cb 0.15 -0.58 0.52 0.00 -0.52 0.00 0.00 37.83 37.40 1pa1 s LYS 628 CO 0.79 0.06 1.67 0.93 -0.92 0.00 0.00 175.35 177.88 1pa1 h GLU 629 N 6.37 0.22 -0.00 1.68 3.07 -1.90 -1.21 114.58 122.81 1pa1 h GLU 629 Ca -0.32 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.52 1pa1 h GLU 629 Cb 1.18 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 1pa1 h GLU 629 CO 0.49 0.15 -0.00 -0.85 -1.40 0.00 0.00 179.01 177.40 1pa1 n GLU 630 N -5.20 1.02 -3.44 2.33 0.00 -1.26 -4.10 120.64 109.99 1pa1 n GLU 630 Ca 0.16 -0.10 -0.28 0.00 0.00 0.00 0.00 57.16 56.94 1pa1 n GLU 630 Cb 0.52 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 30.38 1pa1 n GLU 630 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1pa1 n LYS 631 N -0.90 2.59 -1.37 3.44 4.76 -0.46 -5.08 118.16 121.14 1pa1 n LYS 631 Ca 0.23 -4.66 -0.31 0.00 -2.87 0.00 0.00 58.31 50.70 1pa1 n LYS 631 Cb 0.15 -2.28 0.08 0.00 -1.84 0.00 0.00 35.03 31.14 1pa1 n LYS 631 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1pa1 s GLU 632 N -2.43 2.47 -0.09 1.97 1.03 -1.26 -4.63 118.70 115.77 1pa1 s GLU 632 Ca 0.38 1.12 -0.00 0.00 0.03 0.00 0.00 54.97 56.50 1pa1 s GLU 632 Cb 0.13 -1.93 -0.03 0.00 -0.80 0.00 0.00 34.13 31.51 1pa1 s GLU 632 CO -0.02 -1.47 -0.07 -1.64 -1.33 0.00 0.00 175.26 170.73 1pa1 s MET 633 N -4.90 3.01 -0.15 -4.83 -1.94 -0.02 -4.97 119.30 105.50 1pa1 s MET 633 Ca 0.61 -0.56 0.01 0.00 -1.71 0.00 0.00 55.69 54.04 1pa1 s MET 633 Cb -0.16 -2.66 0.00 0.00 2.01 0.00 0.00 34.83 34.02 1pa1 s MET 633 CO 0.55 0.52 -0.18 0.42 -0.01 0.00 0.00 175.02 176.32 1pa1 s ILE 634 N -0.43 2.39 -0.51 2.53 1.01 -1.26 -0.32 121.20 124.62 1pa1 s ILE 634 Ca 0.06 -0.86 -0.15 0.00 0.00 0.00 0.00 60.65 59.69 1pa1 s ILE 634 Cb -0.12 -1.99 0.11 0.00 0.01 0.00 0.00 42.46 40.47 1pa1 s ILE 634 CO 0.02 0.53 0.45 -0.36 0.00 0.00 0.00 174.94 175.58 1pa1 s PHE 635 N 0.82 3.25 0.18 3.97 0.40 0.37 -4.94 117.98 122.04 1pa1 s PHE 635 Ca -0.06 -1.17 -0.11 0.00 -0.60 0.00 0.00 56.93 54.99 1pa1 s PHE 635 Cb -0.15 -3.53 0.10 0.00 0.51 0.00 0.00 43.02 39.95 1pa1 s PHE 635 CO -0.01 -0.93 1.74 0.93 0.70 0.00 0.00 175.22 177.65 1pa1 h GLU 636 N 8.81 0.97 -0.77 0.44 4.39 -1.97 0.17 114.58 126.62 1pa1 h GLU 636 Ca -0.29 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.21 1pa1 h GLU 636 Cb 1.10 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.56 1pa1 h GLU 636 CO 0.97 0.82 0.39 0.38 -1.16 0.00 0.00 179.01 180.40 1pa1 h ASP 637 N 0.91 0.98 -0.14 1.42 2.03 -1.97 -3.08 116.42 116.57 1pa1 h ASP 637 Ca 0.22 -0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 1pa1 h ASP 637 Cb 0.21 -0.25 0.00 0.00 -0.83 0.00 0.00 39.33 38.46 1pa1 h ASP 637 CO -0.02 0.82 0.00 0.35 -1.03 0.00 0.00 179.24 179.36 1pa1 n THR 638 N -4.33 0.28 -3.54 1.15 -2.24 -1.18 -5.01 114.28 99.40 1pa1 n THR 638 Ca 0.08 -0.64 -0.20 0.00 -2.27 0.00 0.00 64.05 61.01 1pa1 n THR 638 Cb 0.12 1.08 0.05 0.00 -2.10 0.00 0.00 70.33 69.49 1pa1 n THR 638 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1pa1 n ASN 639 N 0.81 -3.03 -4.20 3.42 5.15 0.56 -4.93 115.26 113.05 1pa1 n ASN 639 Ca 0.10 -0.78 -0.21 0.00 -0.60 0.00 0.00 54.58 53.10 1pa1 n ASN 639 Cb 0.39 -4.45 -0.13 0.00 -0.53 0.00 0.00 39.78 35.07 1pa1 n ASN 639 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1pa1 s LEU 640 N -6.31 2.24 -0.05 1.20 1.43 -0.96 -1.67 118.68 114.56 1pa1 s LEU 640 Ca 0.16 -0.58 0.05 0.00 -1.03 0.00 0.00 54.13 52.73 1pa1 s LEU 640 Cb -0.04 -0.66 -0.02 0.00 0.03 0.00 0.00 46.19 45.51 1pa1 s LEU 640 CO 0.79 0.01 -0.22 -0.75 0.23 0.00 0.00 176.35 176.40 1pa1 s LYS 641 N -1.56 2.52 -0.10 1.70 2.20 -0.09 -0.48 119.74 123.93 1pa1 s LYS 641 Ca 0.02 -0.85 0.01 0.00 -0.36 0.00 0.00 55.97 54.79 1pa1 s LYS 641 Cb -0.09 -2.23 0.02 0.00 -1.51 0.00 0.00 37.83 34.02 1pa1 s LYS 641 CO 0.02 0.46 -0.10 -1.17 -0.36 0.00 0.00 175.35 174.20 1pa1 s LEU 642 N -0.33 1.42 -0.03 5.43 2.96 0.56 -0.45 118.68 128.24 1pa1 s LEU 642 Ca 0.02 -0.32 0.06 0.00 -0.22 0.00 0.00 54.13 53.66 1pa1 s LEU 642 Cb -0.12 -0.88 -0.01 0.00 0.50 0.00 0.00 46.19 45.68 1pa1 s LEU 642 CO 0.02 -0.05 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.91 1pa1 s THR 643 N 1.28 1.66 -0.23 3.68 2.01 -0.49 -0.84 115.64 122.70 1pa1 s THR 643 Ca -0.03 -0.87 -0.29 0.00 0.31 0.00 0.00 61.69 60.82 1pa1 s THR 643 Cb -0.14 -1.39 0.01 0.00 0.01 0.00 0.00 72.50 70.99 1pa1 s THR 643 CO -0.04 0.47 1.02 -0.22 -0.69 0.00 0.00 174.62 175.16 1pa1 s LEU 644 N -0.26 4.10 -0.17 4.42 2.96 -1.26 -0.99 118.68 127.48 1pa1 s LEU 644 Ca 0.02 1.36 -0.06 0.00 -0.22 0.00 0.00 54.13 55.23 1pa1 s LEU 644 Cb -0.10 -3.51 -0.22 0.00 0.50 0.00 0.00 46.19 42.85 1pa1 s LEU 644 CO 0.01 -0.65 0.15 -0.38 -1.32 0.00 0.00 176.35 174.16 1pa1 n ILE 645 N 5.30 1.67 -3.65 6.68 2.08 0.38 -4.29 119.36 127.53 1pa1 n ILE 645 Ca 0.11 -0.56 -0.03 0.00 0.56 0.00 0.00 62.75 62.83 1pa1 n ILE 645 Cb 0.46 -1.68 -0.01 0.00 -0.75 0.00 0.00 39.64 37.65 1pa1 n ILE 645 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1pa1 s SER 646 N -6.91 -0.18 -0.06 4.38 1.04 -1.12 -4.99 113.70 105.86 1pa1 s SER 646 Ca -0.27 -0.21 -0.16 0.00 0.48 0.00 0.00 55.95 55.78 1pa1 s SER 646 Cb 0.08 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.57 1pa1 s SER 646 CO 0.69 -0.62 0.38 -1.83 0.98 0.00 0.00 173.24 172.85 1pa1 s GLU 647 N -2.93 0.65 -0.29 4.02 -1.05 -1.26 -0.68 118.70 117.16 1pa1 s GLU 647 Ca 0.11 0.11 0.03 0.00 -0.15 0.00 0.00 54.97 55.07 1pa1 s GLU 647 Cb 0.00 0.30 0.07 0.00 -0.44 0.00 0.00 34.13 34.07 1pa1 s GLU 647 CO -0.02 -0.16 -0.05 0.34 0.95 0.00 0.00 175.26 176.32 1pa1 s ASP 648 N -0.81 4.58 -0.26 0.83 2.15 0.35 -4.99 116.67 118.52 1pa1 s ASP 648 Ca -0.09 -1.67 -0.17 0.00 0.43 0.00 0.00 52.55 51.05 1pa1 s ASP 648 Cb -0.04 -1.59 -0.03 0.00 -0.30 0.00 0.00 42.92 40.97 1pa1 s ASP 648 CO 0.04 -0.26 0.46 -0.63 -0.17 0.00 0.00 175.17 174.60 1pa1 s ILE 649 N 1.03 5.11 0.54 4.11 1.01 -1.26 -1.29 121.20 130.46 1pa1 s ILE 649 Ca -0.02 0.76 0.06 0.00 0.00 0.00 0.00 60.65 61.46 1pa1 s ILE 649 Cb -0.20 -3.78 0.05 0.00 0.01 0.00 0.00 42.46 38.54 1pa1 s ILE 649 CO -0.06 0.12 0.49 -0.54 0.00 0.00 0.00 174.94 174.95 1pa1 s LYS 650 N 2.19 2.28 0.41 2.79 -0.14 0.51 -5.01 119.74 122.77 1pa1 s LYS 650 Ca 0.19 -1.91 0.11 0.00 -1.36 0.00 0.00 55.97 53.00 1pa1 s LYS 650 Cb -0.16 -2.23 0.88 0.00 -1.68 0.00 0.00 37.83 34.65 1pa1 s LYS 650 CO 0.09 -0.65 1.96 0.66 -0.76 0.00 0.00 175.35 176.65 1pa1 h SER 651 N 0.64 0.14 0.00 2.83 4.64 -1.30 -3.29 113.55 117.21 1pa1 h SER 651 Ca -0.35 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1pa1 h SER 651 Cb 1.30 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1pa1 h SER 651 CO 0.54 0.29 0.00 0.00 -0.87 0.00 0.00 176.83 176.79 1pa1 n TYR 652 N -4.31 0.00 -3.61 4.77 0.18 -1.26 -5.00 117.16 107.93 1pa1 n TYR 652 Ca -0.01 -0.03 -0.11 0.00 1.88 0.00 0.00 57.90 59.62 1pa1 n TYR 652 Cb 0.24 -0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.16 1pa1 n TYR 652 CO 0.00 0.00 0.00 1.52 -2.08 0.00 0.00 176.86 176.30 1pa1 s TYR 653 N -0.06 -0.27 0.00 -3.48 -0.85 -1.24 -0.71 117.35 110.74 1pa1 s TYR 653 Ca 0.00 0.04 0.02 0.00 -0.52 0.00 0.00 57.07 56.60 1pa1 s TYR 653 Cb 0.00 0.30 -0.01 0.00 0.38 0.00 0.00 41.96 42.63 1pa1 s TYR 653 CO 0.00 -0.70 -0.06 0.99 -1.52 0.00 0.00 175.55 174.27 1pa1 s THR 654 N -3.50 0.44 -0.14 -3.49 2.01 0.06 -0.36 115.64 110.66 1pa1 s THR 654 Ca 0.01 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 61.64 1pa1 s THR 654 Cb 0.01 -0.40 -0.01 0.00 0.01 0.00 0.00 72.50 72.11 1pa1 s THR 654 CO -0.10 0.03 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.01 1pa1 s VAL 655 N -0.34 2.65 0.05 3.82 1.01 -0.41 -0.44 120.40 126.74 1pa1 s VAL 655 Ca -0.00 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.27 1pa1 s VAL 655 Cb -0.03 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 1pa1 s VAL 655 CO -0.00 0.53 -0.19 -0.13 0.00 0.00 0.00 175.10 175.30 1pa1 s ARG 656 N 0.57 1.99 -0.25 2.72 0.52 0.20 -0.50 118.95 124.21 1pa1 s ARG 656 Ca -0.10 -1.02 -0.08 0.00 -0.52 0.00 0.00 55.73 54.00 1pa1 s ARG 656 Cb -0.16 -2.15 -0.04 0.00 0.52 0.00 0.00 34.95 33.13 1pa1 s ARG 656 CO 0.04 0.53 0.10 -1.14 0.02 0.00 0.00 175.30 174.85 1pa1 s GLN 657 N -1.49 3.77 0.15 3.54 0.74 0.15 -0.76 119.66 125.75 1pa1 s GLN 657 Ca 0.15 -0.42 0.11 0.00 0.05 0.00 0.00 55.36 55.24 1pa1 s GLN 657 Cb -0.10 -3.41 -0.04 0.00 1.10 0.00 0.00 33.01 30.55 1pa1 s GLN 657 CO 0.05 -0.15 -0.24 -0.51 -0.55 0.00 0.00 175.29 173.90 1pa1 s LEU 658 N 1.55 2.44 -0.20 3.68 1.43 -0.01 -0.47 118.68 127.10 1pa1 s LEU 658 Ca 0.06 -0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 52.40 1pa1 s LEU 658 Cb -0.15 -1.27 0.01 0.00 0.03 0.00 0.00 46.19 44.81 1pa1 s LEU 658 CO 0.05 0.16 -0.14 -0.70 0.23 0.00 0.00 176.35 175.96 1pa1 s GLU 659 N -2.30 3.14 -0.21 1.70 2.12 -0.16 -0.71 118.70 122.28 1pa1 s GLU 659 Ca 0.17 -0.75 -0.06 0.00 0.36 0.00 0.00 54.97 54.69 1pa1 s GLU 659 Cb -0.09 -2.75 -0.03 0.00 0.26 0.00 0.00 34.13 31.52 1pa1 s GLU 659 CO 0.08 -0.21 0.04 -1.17 -0.54 0.00 0.00 175.26 173.47 1pa1 s LEU 660 N 1.37 3.48 -0.11 2.70 2.96 0.33 -1.40 118.68 128.00 1pa1 s LEU 660 Ca 0.05 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 53.87 1pa1 s LEU 660 Cb -0.14 -1.90 -0.00 0.00 0.50 0.00 0.00 46.19 44.65 1pa1 s LEU 660 CO -0.09 0.06 -0.21 -0.70 -1.32 0.00 0.00 176.35 174.10 1pa1 s GLU 661 N 1.03 3.15 -0.48 1.98 2.12 0.40 -0.68 118.70 126.22 1pa1 s GLU 661 Ca 0.03 -0.82 -0.25 0.00 0.36 0.00 0.00 54.97 54.29 1pa1 s GLU 661 Cb -0.14 -2.41 0.03 0.00 0.26 0.00 0.00 34.13 31.87 1pa1 s GLU 661 CO 0.03 0.18 0.95 1.21 -0.54 0.00 0.00 175.26 177.08 1pa1 s ASN 662 N 0.37 6.47 0.40 -1.70 3.84 -0.41 -0.91 114.94 123.00 1pa1 s ASN 662 Ca -0.16 0.05 0.29 0.00 0.21 0.00 0.00 52.86 53.25 1pa1 s ASN 662 Cb -0.17 -2.46 1.35 0.00 -0.55 0.00 0.00 41.25 39.42 1pa1 s ASN 662 CO 0.07 -1.11 1.86 -0.07 -2.79 0.00 0.00 177.10 175.07 1pa1 h LEU 663 N 10.73 0.00 0.11 3.21 3.38 -1.63 0.58 115.31 131.69 1pa1 h LEU 663 Ca -0.24 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.45 1pa1 h LEU 663 Cb 1.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.83 1pa1 h LEU 663 CO 1.05 0.00 -1.23 0.74 0.09 0.00 0.00 178.44 179.09 1pa1 h THR 664 N 0.00 1.48 0.00 0.22 2.02 -1.91 -3.36 112.91 111.37 1pa1 h THR 664 Ca 0.00 -3.00 0.00 0.00 0.77 0.00 0.00 66.41 64.18 1pa1 h THR 664 Cb 0.24 2.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 1pa1 h THR 664 CO 0.00 0.88 -0.70 0.35 0.37 0.00 0.00 175.52 176.41 1pa1 n THR 665 N -3.56 0.00 -1.18 3.16 -2.24 -1.06 -4.98 114.28 104.41 1pa1 n THR 665 Ca -0.09 -0.26 -0.06 0.00 -2.27 0.00 0.00 64.05 61.37 1pa1 n THR 665 Cb 1.01 0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 70.02 1pa1 n THR 665 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pa1 n GLN 666 N -1.38 -1.15 -2.65 -0.78 6.02 0.20 -4.98 117.38 112.65 1pa1 n GLN 666 Ca 0.01 0.63 -0.38 0.00 -0.01 0.00 0.00 57.00 57.25 1pa1 n GLN 666 Cb 0.17 -4.66 -0.05 0.00 1.02 0.00 0.00 30.24 26.72 1pa1 n GLN 666 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1pa1 s GLU 667 N -2.16 4.53 0.11 -1.09 2.12 -1.21 -4.84 118.70 116.16 1pa1 s GLU 667 Ca 0.00 1.50 0.08 0.00 0.36 0.00 0.00 54.97 56.91 1pa1 s GLU 667 Cb 0.00 -2.89 -0.04 0.00 0.26 0.00 0.00 34.13 31.46 1pa1 s GLU 667 CO 0.00 0.20 -0.20 0.95 -0.54 0.00 0.00 175.26 175.67 1pa1 s THR 668 N -1.46 1.66 0.02 -1.70 -4.23 -1.26 -1.29 115.64 107.38 1pa1 s THR 668 Ca 0.49 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 1pa1 s THR 668 Cb -0.23 -1.54 -0.02 0.00 1.34 0.00 0.00 72.50 72.04 1pa1 s THR 668 CO 0.30 -0.11 -0.03 -0.13 -0.54 0.00 0.00 174.62 174.10 1pa1 s ARG 669 N -2.00 0.36 -0.20 3.99 0.52 0.14 -4.98 118.95 116.78 1pa1 s ARG 669 Ca 0.07 -0.68 -0.19 0.00 -0.52 0.00 0.00 55.73 54.40 1pa1 s ARG 669 Cb -0.09 0.09 -0.03 0.00 0.52 0.00 0.00 34.95 35.43 1pa1 s ARG 669 CO 0.04 -0.05 0.55 -2.00 0.02 0.00 0.00 175.30 173.87 1pa1 s GLU 670 N -1.72 4.20 -0.09 3.54 2.12 -1.26 -0.52 118.70 124.98 1pa1 s GLU 670 Ca -0.13 0.48 0.02 0.00 0.36 0.00 0.00 54.97 55.70 1pa1 s GLU 670 Cb -0.08 -3.56 -0.02 0.00 0.26 0.00 0.00 34.13 30.73 1pa1 s GLU 670 CO -0.02 -0.17 -0.14 0.42 -0.54 0.00 0.00 175.26 174.81 1pa1 s ILE 671 N 1.69 3.00 -0.17 -3.70 -1.09 0.11 -4.88 121.20 116.16 1pa1 s ILE 671 Ca 0.26 -0.71 -0.09 0.00 -2.23 0.00 0.00 60.65 57.88 1pa1 s ILE 671 Cb -0.16 -2.21 -0.05 0.00 -1.58 0.00 0.00 42.46 38.46 1pa1 s ILE 671 CO 0.10 0.56 0.13 -0.76 -1.23 0.00 0.00 174.94 173.73 1pa1 s LEU 672 N -0.17 4.22 -0.26 2.97 1.43 -0.18 -0.83 118.68 125.86 1pa1 s LEU 672 Ca -0.00 0.28 -0.05 0.00 -1.03 0.00 0.00 54.13 53.33 1pa1 s LEU 672 Cb -0.13 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.02 1pa1 s LEU 672 CO 0.03 0.25 0.02 -2.28 0.23 0.00 0.00 176.35 174.60 1pa1 s HIS 673 N -0.05 3.07 -0.34 0.29 2.46 0.06 -0.77 115.29 120.02 1pa1 s HIS 673 Ca 0.10 -0.97 -0.08 0.00 0.47 0.00 0.00 55.06 54.58 1pa1 s HIS 673 Cb -0.11 -2.18 0.03 0.00 -0.13 0.00 0.00 32.58 30.19 1pa1 s HIS 673 CO -0.00 -0.56 0.13 -0.06 -2.47 0.00 0.00 174.74 171.78 1pa1 s PHE 674 N 1.48 3.24 -0.33 3.88 0.40 0.31 -0.63 117.98 126.33 1pa1 s PHE 674 Ca 0.04 -1.24 -0.03 0.00 -0.60 0.00 0.00 56.93 55.09 1pa1 s PHE 674 Cb -0.16 -2.31 0.06 0.00 0.51 0.00 0.00 43.02 41.12 1pa1 s PHE 674 CO -0.00 -0.69 0.07 -1.58 0.70 0.00 0.00 175.22 173.72 1pa1 s HIS 675 N 1.45 3.32 -0.39 0.36 2.46 0.41 -0.53 115.29 122.38 1pa1 s HIS 675 Ca -0.00 -1.83 -0.23 0.00 0.47 0.00 0.00 55.06 53.47 1pa1 s HIS 675 Cb -0.19 -2.37 0.01 0.00 -0.13 0.00 0.00 32.58 29.90 1pa1 s HIS 675 CO 0.04 -0.81 0.76 -0.47 -2.47 0.00 0.00 174.74 171.78 1pa1 s TYR 676 N 1.28 3.08 -0.52 3.88 6.14 0.17 -0.76 117.35 130.61 1pa1 s TYR 676 Ca -0.02 0.38 0.03 0.00 0.64 0.00 0.00 57.07 58.11 1pa1 s TYR 676 Cb -0.20 -3.44 0.41 0.00 0.42 0.00 0.00 41.96 39.15 1pa1 s TYR 676 CO -0.00 -0.80 1.34 0.25 0.64 0.00 0.00 175.55 176.97 1pa1 n THR 677 N 5.87 2.68 -1.66 4.34 -2.24 0.11 -3.77 114.28 119.61 1pa1 n THR 677 Ca 0.02 -4.70 0.00 0.00 -2.27 0.00 0.00 64.05 57.10 1pa1 n THR 677 Cb 0.48 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 1pa1 n THR 677 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1pa1 n THR 678 N -0.52 0.00 -1.50 4.28 -2.24 -1.23 -4.82 114.28 108.24 1pa1 n THR 678 Ca 0.43 0.00 -0.47 0.00 -2.27 0.00 0.00 64.05 61.74 1pa1 n THR 678 Cb 0.59 0.66 -0.06 0.00 -2.10 0.00 0.00 70.33 69.43 1pa1 n THR 678 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1pa1 n TRP 679 N 0.00 1.72 -1.04 4.78 -0.00 -1.26 -4.77 117.44 116.87 1pa1 n TRP 679 Ca 0.00 0.12 -0.35 0.00 -0.00 0.00 0.00 57.50 57.27 1pa1 n TRP 679 Cb 0.27 -2.61 -0.02 0.00 -0.00 0.00 0.00 31.31 28.95 1pa1 n TRP 679 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 1pa1 n PRO 680 N 8.44 0.00 -0.15 5.87 -0.02 -1.26 -4.84 135.00 143.03 1pa1 n PRO 680 Ca 0.37 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.82 1pa1 n PRO 680 Cb 0.32 -0.75 0.04 0.00 -0.02 0.00 0.00 33.50 33.08 1pa1 n PRO 680 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1pa1 h ASP 681 N 0.64 -0.37 -4.06 2.55 2.03 -2.02 -3.41 116.42 111.78 1pa1 h ASP 681 Ca -0.23 0.14 -0.45 0.00 -0.73 0.00 0.00 57.03 55.76 1pa1 h ASP 681 Cb 1.09 0.27 -0.19 0.00 -0.83 0.00 0.00 39.33 39.66 1pa1 h ASP 681 CO 0.41 -0.13 -0.77 -0.36 -1.03 0.00 0.00 179.24 177.36 1pa1 s PHE 682 N -6.21 1.48 0.41 4.15 0.08 -1.26 -5.04 117.98 111.59 1pa1 s PHE 682 Ca -0.14 -0.51 0.00 0.00 0.12 0.00 0.00 56.93 56.40 1pa1 s PHE 682 Cb 0.16 -0.78 0.00 0.00 -0.57 0.00 0.00 43.02 41.83 1pa1 s PHE 682 CO 0.72 0.16 0.00 0.41 -0.10 0.00 0.00 175.22 176.41 1pa1 n GLY 683 N 0.68 -4.26 3.81 4.36 0.00 -1.26 -4.95 105.19 103.57 1pa1 n GLY 683 Ca -0.16 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.71 1pa1 n GLY 683 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pa1 s VAL 684 N -3.15 3.97 0.39 1.61 0.11 -1.26 -4.27 120.40 117.80 1pa1 s VAL 684 Ca 0.00 1.14 -0.22 0.00 -2.93 0.00 0.00 61.98 59.97 1pa1 s VAL 684 Cb 0.00 -3.49 -0.14 0.00 -1.53 0.00 0.00 36.38 31.22 1pa1 s VAL 684 CO 0.00 -0.34 0.35 -2.65 -3.33 0.00 0.00 175.10 169.13 1pa1 n PRO 685 N -1.15 0.29 -0.15 1.54 -0.02 -1.26 -4.88 135.00 129.36 1pa1 n PRO 685 Ca 0.09 0.10 -0.06 0.00 -2.02 0.00 0.00 63.50 61.61 1pa1 n PRO 685 Cb 0.53 -1.25 0.02 0.00 -0.02 0.00 0.00 33.50 32.78 1pa1 n PRO 685 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1pa1 h GLU 686 N 0.62 0.53 -5.07 -0.52 5.08 -2.01 -3.45 114.58 109.76 1pa1 h GLU 686 Ca -0.38 -0.03 -0.34 0.00 -1.00 0.00 0.00 59.36 57.61 1pa1 h GLU 686 Cb 1.42 -0.12 -0.15 0.00 0.50 0.00 0.00 28.75 30.41 1pa1 h GLU 686 CO 0.50 0.35 -0.70 -1.54 -1.00 0.00 0.00 179.01 176.62 1pa1 s SER 687 N -5.54 1.79 0.32 1.42 1.04 -1.26 -5.06 113.70 106.40 1pa1 s SER 687 Ca -0.13 -1.06 0.24 0.00 0.48 0.00 0.00 55.95 55.48 1pa1 s SER 687 Cb 0.12 -0.00 0.52 0.00 0.10 0.00 0.00 66.02 66.76 1pa1 s SER 687 CO 0.73 -0.37 1.64 1.55 0.98 0.00 0.00 173.24 177.76 1pa1 h PRO 688 N 2.71 0.00 -0.74 4.02 0.13 -1.91 -3.37 132.00 132.85 1pa1 h PRO 688 Ca -0.37 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.92 1pa1 h PRO 688 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 1pa1 h PRO 688 CO 0.64 0.00 -0.13 0.00 -0.23 0.00 0.00 178.00 178.27 1pa1 h ALA 689 N 2.24 0.57 -0.51 -0.56 0.00 -1.96 0.44 119.26 119.49 1pa1 h ALA 689 Ca 0.00 0.28 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1pa1 h ALA 689 Cb 0.88 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1pa1 h ALA 689 CO 0.00 -0.42 0.31 0.77 0.00 0.00 0.00 179.25 179.91 1pa1 h SER 690 N 0.02 0.60 -0.13 0.00 0.02 -1.83 0.26 113.55 112.49 1pa1 h SER 690 Ca 0.37 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1pa1 h SER 690 Cb 0.59 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1pa1 h SER 690 CO -0.73 0.47 0.07 0.15 -1.14 0.00 0.00 176.83 175.65 1pa1 h PHE 691 N 0.68 0.18 -0.48 3.45 3.57 -1.11 -2.67 116.94 120.57 1pa1 h PHE 691 Ca 0.18 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.57 1pa1 h PHE 691 Cb -0.02 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 1pa1 h PHE 691 CO -0.03 0.21 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.07 1pa1 h LEU 692 N 0.10 0.88 -0.78 0.59 3.38 -0.06 -0.22 115.31 119.20 1pa1 h LEU 692 Ca 0.05 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.79 1pa1 h LEU 692 Cb 0.10 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 1pa1 h LEU 692 CO -0.01 1.01 0.47 -1.13 0.09 0.00 0.00 178.44 178.88 1pa1 h ASN 693 N 0.79 0.72 -0.13 -0.43 -1.24 -0.91 0.95 115.58 115.33 1pa1 h ASN 693 Ca 0.13 0.02 -0.04 0.00 0.71 0.00 0.00 56.30 57.12 1pa1 h ASN 693 Cb 0.65 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.57 1pa1 h ASN 693 CO 0.04 0.46 -0.06 0.15 -1.29 0.00 0.00 177.43 176.73 1pa1 h PHE 694 N 0.85 0.32 -0.96 0.67 3.57 -1.07 -2.05 116.94 118.27 1pa1 h PHE 694 Ca 0.35 -0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.80 1pa1 h PHE 694 Cb 0.19 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.80 1pa1 h PHE 694 CO -0.05 0.61 0.63 1.25 -2.23 0.00 0.00 178.31 178.52 1pa1 h LEU 695 N -0.06 1.06 -1.31 0.59 5.85 -0.70 -1.42 115.31 119.32 1pa1 h LEU 695 Ca 0.03 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1pa1 h LEU 695 Cb 0.53 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1pa1 h LEU 695 CO 0.02 0.73 -0.34 -0.26 -0.34 0.00 0.00 178.44 178.25 1pa1 h PHE 696 N 1.23 0.00 -0.49 1.25 -1.00 -0.73 -0.55 116.94 116.65 1pa1 h PHE 696 Ca 0.38 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 61.08 1pa1 h PHE 696 Cb -0.03 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 1pa1 h PHE 696 CO -0.01 0.34 -0.01 0.87 -1.61 0.00 0.00 178.31 177.90 1pa1 h LYS 697 N 0.00 0.88 -0.27 1.51 1.79 -0.54 0.15 116.57 120.09 1pa1 h LYS 697 Ca -0.00 -0.28 -0.01 0.00 -2.18 0.00 0.00 60.65 58.17 1pa1 h LYS 697 Cb 0.63 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 1pa1 h LYS 697 CO 0.04 0.92 0.11 0.28 -1.08 0.00 0.00 179.45 179.72 1pa1 h VAL 698 N 0.74 1.17 -0.28 0.50 2.07 -0.67 -2.38 116.25 117.39 1pa1 h VAL 698 Ca 0.14 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.19 1pa1 h VAL 698 Cb 0.53 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1pa1 h VAL 698 CO 0.03 0.17 0.05 0.03 0.02 0.00 0.00 177.57 177.87 1pa1 h ARG 699 N 0.29 0.14 0.00 1.57 3.08 -0.93 -2.71 114.38 115.82 1pa1 h ARG 699 Ca 0.09 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1pa1 h ARG 699 Cb 0.17 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 1pa1 h ARG 699 CO -0.01 0.09 -0.14 0.93 -1.07 0.00 0.00 179.97 179.78 1pa1 h GLU 700 N 0.14 0.00 0.00 0.04 5.08 -0.55 -1.94 114.58 117.35 1pa1 h GLU 700 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1pa1 h GLU 700 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1pa1 h GLU 700 CO -0.18 0.14 0.00 0.66 -1.00 0.00 0.00 179.01 178.63 1pa1 h SER 701 N 0.00 0.00 0.00 1.42 4.64 -1.09 -3.46 113.55 115.06 1pa1 h SER 701 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pa1 h SER 701 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1pa1 h SER 701 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1pa1 n GLY 702 N -0.27 0.82 0.29 -0.77 0.00 -0.73 -4.93 105.19 99.60 1pa1 n GLY 702 Ca 0.01 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.20 1pa1 n GLY 702 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1pa1 h SER 703 N 0.00 0.00 -0.29 1.61 0.02 -1.77 -2.11 113.55 111.00 1pa1 h SER 703 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pa1 h SER 703 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1pa1 h SER 703 CO 0.00 0.05 0.00 0.18 -1.14 0.00 0.00 176.83 175.92 1pa1 n LEU 704 N -3.34 2.44 -4.77 5.07 4.77 -1.26 -4.53 117.00 115.38 1pa1 n LEU 704 Ca -0.02 -1.07 -0.40 0.00 -0.03 0.00 0.00 56.01 54.50 1pa1 n LEU 704 Cb 0.20 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.11 1pa1 n LEU 704 CO 0.26 0.53 1.10 -0.55 -1.33 0.00 0.00 177.39 177.40 1pa1 s SER 705 N -1.45 6.01 0.00 -1.43 0.15 -0.80 -4.86 113.70 111.31 1pa1 s SER 705 Ca 0.34 2.98 0.09 0.00 0.70 0.00 0.00 55.95 60.07 1pa1 s SER 705 Cb 0.19 -2.66 0.41 0.00 -1.71 0.00 0.00 66.02 62.25 1pa1 s SER 705 CO 0.27 -1.09 1.30 -0.81 1.20 0.00 0.00 173.24 174.11 1pa1 n PRO 706 N 0.00 0.01 0.13 5.44 -0.04 -1.26 -1.59 135.00 137.69 1pa1 n PRO 706 Ca 0.04 0.33 0.13 0.00 -0.04 0.00 0.00 63.50 63.96 1pa1 n PRO 706 Cb 0.41 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.79 1pa1 n PRO 706 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1pa1 h GLU 707 N 0.00 0.00 -6.20 0.54 4.39 -1.94 -3.45 114.58 107.92 1pa1 h GLU 707 Ca 0.00 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.21 1pa1 h GLU 707 Cb 0.16 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 1pa1 h GLU 707 CO 0.00 0.00 -0.41 -1.01 -1.16 0.00 0.00 179.01 176.43 1pa1 s HIS 708 N -3.19 2.82 1.11 4.33 3.76 -0.62 -5.12 115.29 118.38 1pa1 s HIS 708 Ca 0.08 -0.38 -0.16 0.00 -0.15 0.00 0.00 55.06 54.45 1pa1 s HIS 708 Cb 0.11 -1.98 0.24 0.00 1.11 0.00 0.00 32.58 32.06 1pa1 s HIS 708 CO 0.55 0.03 1.10 0.20 -0.85 0.00 0.00 174.74 175.77 1pa1 s GLY 709 N -4.07 1.57 0.35 -2.22 0.00 -0.28 -4.91 107.32 97.76 1pa1 s GLY 709 Ca 0.44 -0.68 -0.29 0.00 0.00 0.00 0.00 44.72 44.20 1pa1 s GLY 709 CO 0.27 0.08 1.44 -4.14 0.00 0.00 0.00 173.10 170.76 1pa1 s PRO 710 N -5.19 4.19 0.47 2.90 0.02 -1.26 -4.42 135.00 131.71 1pa1 s PRO 710 Ca 0.68 2.45 -0.24 0.00 0.02 0.00 0.00 61.00 63.92 1pa1 s PRO 710 Cb -0.14 -3.01 -0.07 0.00 0.02 0.00 0.00 34.50 31.29 1pa1 s PRO 710 CO 0.57 -0.44 1.30 0.54 -0.33 0.00 0.00 177.00 178.65 1pa1 s VAL 711 N -0.93 2.49 -0.22 3.83 0.11 -1.26 -4.45 120.40 119.97 1pa1 s VAL 711 Ca 0.53 0.40 -0.11 0.00 -2.93 0.00 0.00 61.98 59.86 1pa1 s VAL 711 Cb -0.44 -3.22 -0.05 0.00 -1.53 0.00 0.00 36.38 31.14 1pa1 s VAL 711 CO 0.57 0.02 0.20 -0.69 -3.33 0.00 0.00 175.10 171.87 1pa1 s VAL 712 N -1.33 5.34 -0.05 2.04 1.01 -0.82 -0.57 120.40 126.02 1pa1 s VAL 712 Ca 0.64 0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.94 1pa1 s VAL 712 Cb -0.37 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1pa1 s VAL 712 CO 0.46 0.35 -0.21 -0.69 0.00 0.00 0.00 175.10 175.01 1pa1 s VAL 713 N 0.95 1.73 0.16 2.92 1.01 0.75 0.28 120.40 128.20 1pa1 s VAL 713 Ca 0.10 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 61.05 1pa1 s VAL 713 Cb -0.13 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.79 1pa1 s VAL 713 CO 0.04 0.49 0.42 -1.38 0.00 0.00 0.00 175.10 174.66 1pa1 s HIS 714 N -0.01 -0.05 0.00 5.22 -3.43 -0.30 -1.60 115.29 115.12 1pa1 s HIS 714 Ca -0.05 -0.30 0.00 0.00 -0.80 0.00 0.00 55.06 53.91 1pa1 s HIS 714 Cb -0.13 0.24 0.00 0.00 -1.43 0.00 0.00 32.58 31.26 1pa1 s HIS 714 CO 0.03 -0.78 0.00 -0.40 -2.00 0.00 0.00 174.74 171.59 1pa1 n ASP 715 N -0.26 0.00 -0.06 7.38 5.75 -1.26 -1.30 116.55 126.80 1pa1 n ASP 715 Ca -0.12 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.62 1pa1 n ASP 715 Cb 0.63 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.71 1pa1 n ASP 715 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 1pa1 h SER 716 N 0.00 0.00 1.54 -1.12 0.87 -1.90 -2.32 113.55 110.62 1pa1 h SER 716 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1pa1 h SER 716 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1pa1 h SER 716 CO 0.00 0.67 -0.42 0.00 -0.53 0.00 0.00 176.83 176.54 1pa1 h ALA 717 N -1.11 0.78 -0.47 6.23 0.00 -1.88 0.13 119.26 122.95 1pa1 h ALA 717 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1pa1 h ALA 717 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1pa1 h ALA 717 CO 0.00 0.00 -0.06 0.41 0.00 0.00 0.00 179.25 179.60 1pa1 n GLY 718 N 1.15 0.35 0.00 0.00 0.00 -1.25 -3.94 105.19 101.50 1pa1 n GLY 718 Ca 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1pa1 n GLY 718 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1pa1 n ILE 719 N -3.83 0.00 0.00 -0.61 -5.35 -1.26 -4.41 119.36 103.90 1pa1 n ILE 719 Ca -0.02 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1pa1 n ILE 719 Cb 0.52 -0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.14 1pa1 n ILE 719 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pa1 n GLY 720 N 1.47 0.32 0.34 3.28 0.00 -1.26 -1.21 105.19 108.13 1pa1 n GLY 720 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1pa1 n GLY 720 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1pa1 h ARG 721 N 0.00 1.16 -0.91 1.61 3.08 -1.96 -1.09 114.38 116.27 1pa1 h ARG 721 Ca 0.00 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 1pa1 h ARG 721 Cb 0.00 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 29.81 1pa1 h ARG 721 CO 0.00 0.93 0.52 0.77 -1.07 0.00 0.00 179.97 181.13 1pa1 h SER 722 N 1.14 1.12 -0.44 7.04 0.02 -1.88 -1.15 113.55 119.39 1pa1 h SER 722 Ca 0.26 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 61.05 1pa1 h SER 722 Cb 0.20 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1pa1 h SER 722 CO -0.02 0.88 0.00 1.23 -1.14 0.00 0.00 176.83 177.77 1pa1 h GLY 723 N 1.26 0.91 0.86 -3.77 0.00 -0.86 -1.83 103.07 99.65 1pa1 h GLY 723 Ca 0.32 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1pa1 h GLY 723 CO -0.06 0.57 0.06 -0.84 0.00 0.00 0.00 176.54 176.28 1pa1 h THR 724 N 0.79 1.19 -0.31 4.70 2.02 -0.50 0.50 112.91 121.29 1pa1 h THR 724 Ca 0.15 -0.60 0.04 0.00 0.77 0.00 0.00 66.41 66.77 1pa1 h THR 724 Cb 0.47 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 68.06 1pa1 h THR 724 CO 0.02 0.19 0.08 0.15 0.37 0.00 0.00 175.52 176.33 1pa1 h PHE 725 N 0.14 0.14 -0.44 3.16 3.57 -1.13 -1.48 116.94 120.89 1pa1 h PHE 725 Ca 0.06 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1pa1 h PHE 725 Cb 0.23 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1pa1 h PHE 725 CO 0.00 0.04 0.16 0.00 -2.23 0.00 0.00 178.31 176.29 1pa1 h LEU 727 N 0.57 0.55 -0.43 0.00 5.85 -0.76 -0.86 115.31 120.22 1pa1 h LEU 727 Ca 0.15 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 1pa1 h LEU 727 Cb 0.22 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1pa1 h LEU 727 CO -0.01 0.65 0.07 0.00 -0.34 0.00 0.00 178.44 178.81 1pa1 h ALA 728 N 0.92 0.57 -0.43 1.25 0.00 -1.19 -1.10 119.26 119.28 1pa1 h ALA 728 Ca 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1pa1 h ALA 728 Cb 0.33 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1pa1 h ALA 728 CO 0.00 0.29 0.22 0.22 0.00 0.00 0.00 179.25 179.99 1pa1 h ASP 729 N 0.57 0.55 -0.55 0.00 3.58 -1.17 -1.57 116.42 117.84 1pa1 h ASP 729 Ca 0.13 -0.11 -0.08 0.00 0.42 0.00 0.00 57.03 57.39 1pa1 h ASP 729 Cb 0.38 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 1pa1 h ASP 729 CO 0.01 0.50 0.03 0.74 -2.88 0.00 0.00 179.24 177.64 1pa1 h THR 730 N 0.56 1.26 -0.84 2.25 2.02 -1.03 -0.24 112.91 116.89 1pa1 h THR 730 Ca 0.15 -1.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.23 1pa1 h THR 730 Cb 0.09 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 1pa1 h THR 730 CO -0.02 0.38 0.39 0.00 0.37 0.00 0.00 175.52 176.64 1pa1 h LEU 732 N 1.21 0.87 -0.53 0.00 3.38 -1.08 -1.67 115.31 117.49 1pa1 h LEU 732 Ca 0.29 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1pa1 h LEU 732 Cb 0.14 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1pa1 h LEU 732 CO -0.03 1.13 0.10 0.25 0.09 0.00 0.00 178.44 179.97 1pa1 h LEU 733 N 0.69 0.83 -0.54 1.67 5.85 -0.50 -0.08 115.31 123.22 1pa1 h LEU 733 Ca 0.07 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1pa1 h LEU 733 Cb 0.90 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 1pa1 h LEU 733 CO 0.08 0.87 0.31 -0.07 -0.34 0.00 0.00 178.44 179.29 1pa1 h LEU 734 N 0.75 0.66 -1.01 2.25 3.38 -0.79 0.11 115.31 120.67 1pa1 h LEU 734 Ca 0.16 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1pa1 h LEU 734 Cb 0.39 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1pa1 h LEU 734 CO 0.01 0.55 0.52 -0.03 0.09 0.00 0.00 178.44 179.57 1pa1 h MET 735 N 0.73 1.21 -0.25 1.13 4.05 -1.07 -2.39 114.93 118.33 1pa1 h MET 735 Ca 0.19 -0.12 -0.07 0.00 -0.28 0.00 0.00 59.70 59.43 1pa1 h MET 735 Cb 0.02 -0.25 -0.01 0.00 -0.80 0.00 0.00 31.60 30.56 1pa1 h MET 735 CO -0.03 0.85 -0.10 0.22 0.23 0.00 0.00 176.91 178.08 1pa1 h ASP 736 N 1.22 0.53 -0.65 1.39 3.58 -0.30 0.79 116.42 122.97 1pa1 h ASP 736 Ca 0.32 -0.39 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 1pa1 h ASP 736 Cb -0.03 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 40.84 1pa1 h ASP 736 CO -0.06 0.80 0.32 0.50 -2.88 0.00 0.00 179.24 177.92 1pa1 h LYS 737 N 0.25 0.96 0.00 0.28 3.64 -0.56 -2.75 116.57 118.38 1pa1 h LYS 737 Ca 0.06 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1pa1 h LYS 737 Cb 0.59 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1pa1 h LYS 737 CO 0.03 0.74 -0.87 0.54 -2.27 0.00 0.00 179.45 177.63 1pa1 n ARG 738 N -4.34 0.10 -4.04 1.90 1.74 -0.92 -4.97 116.66 106.13 1pa1 n ARG 738 Ca 0.06 -0.01 -0.28 0.00 -0.77 0.00 0.00 57.85 56.86 1pa1 n ARG 738 Cb 0.14 -1.53 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 1pa1 n ARG 738 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1pa1 n LYS 739 N -1.65 -3.04 -3.22 5.56 4.76 0.27 -4.95 118.16 115.89 1pa1 n LYS 739 Ca 0.04 0.37 -0.02 0.00 -2.87 0.00 0.00 58.31 55.82 1pa1 n LYS 739 Cb 0.37 -4.53 -0.03 0.00 -1.84 0.00 0.00 35.03 29.00 1pa1 n LYS 739 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1pa1 s ASP 740 N -4.18 -0.71 0.51 4.39 3.68 -0.98 -5.03 116.67 114.34 1pa1 s ASP 740 Ca 0.13 -0.01 0.18 0.00 2.13 0.00 0.00 52.55 54.98 1pa1 s ASP 740 Cb -0.07 1.62 1.25 0.00 -1.45 0.00 0.00 42.92 44.27 1pa1 s ASP 740 CO 0.91 -0.32 2.08 -0.65 0.13 0.00 0.00 175.17 177.31 1pa1 h PRO 741 N 8.07 0.09 0.00 4.34 0.11 -1.92 -2.52 132.00 140.17 1pa1 h PRO 741 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1pa1 h PRO 741 Cb 1.16 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1pa1 h PRO 741 CO 0.21 0.06 0.00 0.66 -0.21 0.00 0.00 178.00 178.71 1pa1 h SER 742 N 0.09 0.00 -0.12 -2.05 4.64 -1.98 -1.63 113.55 112.49 1pa1 h SER 742 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1pa1 h SER 742 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1pa1 h SER 742 CO -0.01 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.41 1pa1 n SER 743 N -2.71 0.84 -4.33 4.97 3.41 -0.95 -4.75 113.62 110.12 1pa1 n SER 743 Ca 0.00 -1.78 -0.36 0.00 -0.26 0.00 0.00 58.87 56.47 1pa1 n SER 743 Cb 0.21 -0.08 -0.13 0.00 -0.26 0.00 0.00 64.21 63.95 1pa1 n SER 743 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1pa1 s VAL 744 N -1.84 3.74 -0.62 -3.33 1.01 -0.62 -4.98 120.40 113.77 1pa1 s VAL 744 Ca 0.20 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 1pa1 s VAL 744 Cb 0.10 -2.87 0.16 0.00 0.00 0.00 0.00 36.38 33.78 1pa1 s VAL 744 CO 0.16 0.18 0.44 -0.62 0.00 0.00 0.00 175.10 175.26 1pa1 s ASP 745 N 1.48 5.42 0.24 3.32 -1.08 -1.26 -4.90 116.67 119.89 1pa1 s ASP 745 Ca 0.03 -2.70 -0.05 0.00 -0.52 0.00 0.00 52.55 49.30 1pa1 s ASP 745 Cb -0.16 -1.90 0.35 0.00 -1.46 0.00 0.00 42.92 39.75 1pa1 s ASP 745 CO 0.01 -0.43 1.82 -0.29 0.52 0.00 0.00 175.17 176.80 1pa1 h ILE 746 N 5.38 0.96 -0.76 4.11 2.10 -1.98 -0.80 117.51 126.52 1pa1 h ILE 746 Ca -0.03 -0.28 -0.04 0.00 1.08 0.00 0.00 64.86 65.59 1pa1 h ILE 746 Cb 0.98 0.06 -0.03 0.00 -1.09 0.00 0.00 36.82 36.73 1pa1 h ILE 746 CO 0.72 0.15 0.30 0.11 -1.08 0.00 0.00 178.15 178.36 1pa1 h LYS 747 N 0.82 1.13 -0.70 2.19 1.57 -1.99 -0.85 116.57 118.73 1pa1 h LYS 747 Ca 0.37 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1pa1 h LYS 747 Cb 0.28 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1pa1 h LYS 747 CO -0.21 0.91 0.31 -0.22 -0.57 0.00 0.00 179.45 179.67 1pa1 h LYS 748 N 1.10 1.04 -0.68 3.15 3.64 -1.77 -1.15 116.57 121.90 1pa1 h LYS 748 Ca 0.25 -0.17 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 1pa1 h LYS 748 Cb 0.20 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1pa1 h LYS 748 CO -0.02 0.84 0.17 0.28 -2.27 0.00 0.00 179.45 178.45 1pa1 h VAL 749 N 1.00 1.26 -0.56 2.00 2.07 -0.77 -0.84 116.25 120.40 1pa1 h VAL 749 Ca 0.24 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 1pa1 h VAL 749 Cb 0.17 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1pa1 h VAL 749 CO -0.02 0.36 0.25 0.25 0.02 0.00 0.00 177.57 178.42 1pa1 h LEU 750 N 1.01 0.75 -1.28 2.57 5.85 -0.86 -0.29 115.31 123.06 1pa1 h LEU 750 Ca 0.21 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1pa1 h LEU 750 Cb 0.36 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1pa1 h LEU 750 CO 0.00 0.69 0.02 -0.07 -0.34 0.00 0.00 178.44 178.74 1pa1 h LEU 751 N 0.76 0.47 -0.26 2.25 3.38 -0.91 -0.10 115.31 120.89 1pa1 h LEU 751 Ca 0.19 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1pa1 h LEU 751 Cb 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1pa1 h LEU 751 CO -0.02 0.53 0.04 -0.08 0.09 0.00 0.00 178.44 179.00 1pa1 h GLU 752 N 0.49 0.43 -0.78 1.13 4.57 -0.50 -2.70 114.58 117.22 1pa1 h GLU 752 Ca 0.11 -0.12 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1pa1 h GLU 752 Cb 0.29 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.79 1pa1 h GLU 752 CO 0.01 0.56 0.47 0.52 -1.18 0.00 0.00 179.01 179.39 1pa1 h MET 753 N 0.24 1.05 0.00 1.92 2.86 -0.56 -1.36 114.93 119.08 1pa1 h MET 753 Ca 0.08 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1pa1 h MET 753 Cb 0.34 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1pa1 h MET 753 CO 0.01 0.73 0.00 0.54 1.06 0.00 0.00 176.91 179.25 1pa1 n ARG 754 N -4.38 0.07 0.26 1.72 1.74 -0.10 -0.82 116.66 115.15 1pa1 n ARG 754 Ca 0.08 0.27 0.15 0.00 -0.77 0.00 0.00 57.85 57.58 1pa1 n ARG 754 Cb 0.06 -1.50 0.53 0.00 -1.02 0.00 0.00 32.46 30.53 1pa1 n ARG 754 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1pa1 h LYS 755 N 0.00 0.00 0.00 5.56 1.57 -1.05 -3.33 116.57 119.32 1pa1 h LYS 755 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1pa1 h LYS 755 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1pa1 h LYS 755 CO 0.00 0.03 -1.91 1.19 -0.57 0.00 0.00 179.45 178.20 1pa1 n PHE 756 N -3.13 0.00 -3.71 -1.35 3.01 0.00 -4.96 117.46 107.33 1pa1 n PHE 756 Ca 0.01 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.35 1pa1 n PHE 756 Cb 0.38 -0.55 -0.09 0.00 -0.01 0.00 0.00 39.48 39.21 1pa1 n PHE 756 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1pa1 s ARG 757 N -2.87 0.54 0.57 -1.08 3.52 -1.16 -4.50 118.95 113.97 1pa1 s ARG 757 Ca -0.07 0.70 -0.18 0.00 -0.13 0.00 0.00 55.73 56.05 1pa1 s ARG 757 Cb 0.08 0.23 -0.05 0.00 -1.56 0.00 0.00 34.95 33.65 1pa1 s ARG 757 CO 0.69 -0.08 1.12 0.00 -0.81 0.00 0.00 175.30 176.22 1pa1 s MET 758 N 0.46 3.25 -1.49 5.12 0.23 -1.26 -4.17 119.30 121.44 1pa1 s MET 758 Ca -0.02 1.55 0.00 0.00 -1.03 0.00 0.00 55.69 56.20 1pa1 s MET 758 Cb -0.04 -2.00 0.00 0.00 -1.53 0.00 0.00 34.83 31.26 1pa1 s MET 758 CO -0.02 -0.92 0.00 0.41 -2.03 0.00 0.00 175.02 172.46 1pa1 n GLY 759 N -0.01 1.43 3.70 3.16 0.00 -1.26 -4.88 105.19 107.32 1pa1 n GLY 759 Ca 0.11 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1pa1 n GLY 759 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pa1 s LEU 760 N -3.20 4.39 0.00 0.99 1.43 -1.26 -4.02 118.68 117.01 1pa1 s LEU 760 Ca 0.00 2.73 0.00 0.00 -1.03 0.00 0.00 54.13 55.83 1pa1 s LEU 760 Cb 0.00 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1pa1 s LEU 760 CO 0.00 -0.98 0.00 -0.38 0.23 0.00 0.00 176.35 175.22 1pa1 n ILE 761 N 4.61 -2.91 0.99 -0.59 2.08 -0.35 -4.99 119.36 118.19 1pa1 n ILE 761 Ca 0.17 0.25 0.10 0.00 0.56 0.00 0.00 62.75 63.84 1pa1 n ILE 761 Cb 0.38 -3.17 -0.04 0.00 -0.75 0.00 0.00 39.64 36.06 1pa1 n ILE 761 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1pa1 n GLN 762 N 0.15 0.01 -4.03 0.38 1.13 -1.26 -4.92 117.38 108.84 1pa1 n GLN 762 Ca 0.00 -0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.98 1pa1 n GLN 762 Cb 0.00 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 28.75 1pa1 n GLN 762 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1pa1 s THR 763 N -3.01 0.20 0.36 5.09 -4.23 -1.26 -5.04 115.64 107.75 1pa1 s THR 763 Ca 0.08 -1.62 0.08 0.00 -1.18 0.00 0.00 61.69 59.05 1pa1 s THR 763 Cb 0.16 -1.42 0.14 0.00 1.34 0.00 0.00 72.50 72.73 1pa1 s THR 763 CO 0.83 -0.89 1.88 0.00 -0.54 0.00 0.00 174.62 175.90 1pa1 h ALA 764 N 3.12 1.42 -0.02 3.99 0.00 -1.93 -2.28 119.26 123.56 1pa1 h ALA 764 Ca -0.34 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.23 1pa1 h ALA 764 Cb 1.16 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1pa1 h ALA 764 CO 0.63 0.40 -0.52 0.22 0.00 0.00 0.00 179.25 179.97 1pa1 h ASP 765 N 0.30 0.06 0.01 0.00 3.58 -1.96 -0.49 116.42 117.92 1pa1 h ASP 765 Ca 0.06 -0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.38 1pa1 h ASP 765 Cb 0.41 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 1pa1 h ASP 765 CO 0.02 0.57 -0.29 1.56 -2.88 0.00 0.00 179.24 178.23 1pa1 h GLN 766 N 0.04 0.42 -0.24 0.28 4.20 -1.83 0.11 115.11 118.10 1pa1 h GLN 766 Ca -0.00 -0.17 -0.06 0.00 0.06 0.00 0.00 58.65 58.48 1pa1 h GLN 766 Cb 0.94 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 1pa1 h GLN 766 CO 0.07 0.68 -0.09 1.25 -0.67 0.00 0.00 178.83 180.06 1pa1 h LEU 767 N 0.37 0.50 -0.64 1.46 5.85 -1.06 -0.33 115.31 121.47 1pa1 h LEU 767 Ca 0.05 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.40 1pa1 h LEU 767 Cb 0.70 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 1pa1 h LEU 767 CO 0.05 0.78 0.40 -0.09 -0.34 0.00 0.00 178.44 179.25 1pa1 h ARG 768 N 0.22 0.77 -0.84 1.25 2.43 -0.88 -1.98 114.38 115.34 1pa1 h ARG 768 Ca 0.06 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1pa1 h ARG 768 Cb 0.58 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 1pa1 h ARG 768 CO 0.03 0.51 0.40 0.35 -1.51 0.00 0.00 179.97 179.75 1pa1 h PHE 769 N 0.79 1.22 -0.79 2.20 3.57 -0.59 -1.71 116.94 121.63 1pa1 h PHE 769 Ca 0.25 -0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.74 1pa1 h PHE 769 Cb -0.00 -0.38 -0.05 0.00 2.79 0.00 0.00 35.95 38.31 1pa1 h PHE 769 CO -0.05 0.89 0.49 0.77 -2.23 0.00 0.00 178.31 178.18 1pa1 h SER 770 N 1.21 0.78 -0.16 0.41 0.02 -0.35 0.12 113.55 115.58 1pa1 h SER 770 Ca 0.29 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1pa1 h SER 770 Cb 0.13 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1pa1 h SER 770 CO -0.03 0.52 0.11 1.88 -1.14 0.00 0.00 176.83 178.16 1pa1 h TYR 771 N 0.92 0.21 -0.68 3.45 -1.99 -0.75 -1.17 116.97 116.96 1pa1 h TYR 771 Ca 0.33 0.00 0.05 0.00 2.00 0.00 0.00 58.73 61.12 1pa1 h TYR 771 Cb 0.10 -0.07 -0.05 0.00 2.00 0.00 0.00 36.73 38.70 1pa1 h TYR 771 CO -0.04 0.15 0.39 -0.07 -0.00 0.00 0.00 178.16 178.59 1pa1 h LEU 772 N 0.21 0.59 -0.52 3.88 3.38 -0.49 0.41 115.31 122.77 1pa1 h LEU 772 Ca 0.06 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1pa1 h LEU 772 Cb -0.01 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1pa1 h LEU 772 CO -0.01 0.39 0.19 0.00 0.09 0.00 0.00 178.44 179.10 1pa1 h ALA 773 N 1.34 0.68 -0.40 1.53 0.00 -0.53 -1.56 119.26 120.32 1pa1 h ALA 773 Ca 0.30 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1pa1 h ALA 773 Cb 0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1pa1 h ALA 773 CO -0.17 0.31 -0.19 0.28 0.00 0.00 0.00 179.25 179.48 1pa1 h VAL 774 N 0.71 1.28 -0.54 0.00 2.07 -0.85 0.48 116.25 119.40 1pa1 h VAL 774 Ca 0.17 -1.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 1pa1 h VAL 774 Cb 0.22 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1pa1 h VAL 774 CO -0.01 0.45 0.27 0.40 0.02 0.00 0.00 177.57 178.70 1pa1 h ILE 775 N 0.66 1.20 -0.28 4.57 2.04 -0.82 -0.91 117.51 123.96 1pa1 h ILE 775 Ca 0.09 -0.54 -0.16 0.00 1.00 0.00 0.00 64.86 65.25 1pa1 h ILE 775 Cb 0.75 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1pa1 h ILE 775 CO 0.06 0.22 -0.46 -0.08 0.00 0.00 0.00 178.15 177.88 1pa1 h GLU 776 N 0.73 0.81 0.00 2.37 4.57 -1.25 -3.05 114.58 118.75 1pa1 h GLU 776 Ca 0.19 -0.49 -0.03 0.00 -1.18 0.00 0.00 59.36 57.85 1pa1 h GLU 776 Cb 0.10 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1pa1 h GLU 776 CO -0.03 1.13 -0.12 0.78 -1.18 0.00 0.00 179.01 179.59 1pa1 h GLY 777 N 0.57 0.00 1.71 1.92 0.00 -0.70 -2.36 103.07 104.22 1pa1 h GLY 777 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.39 1pa1 h GLY 777 CO 0.11 0.00 0.10 0.00 0.00 0.00 0.00 176.54 176.75 1pa1 h ALA 778 N 1.88 2.10 -0.71 3.60 0.00 -1.05 -1.70 119.26 123.39 1pa1 h ALA 778 Ca -0.00 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1pa1 h ALA 778 Cb 0.25 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1pa1 h ALA 778 CO 0.02 -0.18 0.43 0.87 0.00 0.00 0.00 179.25 180.39 1pa1 h LYS 779 N 0.00 0.79 -0.06 0.00 1.57 -1.55 -0.55 116.57 116.76 1pa1 h LYS 779 Ca 0.07 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1pa1 h LYS 779 Cb 0.27 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1pa1 h LYS 779 CO -0.00 0.52 -0.14 0.35 -0.57 0.00 0.00 179.45 179.61 1pa1 h PHE 780 N 0.81 0.26 -0.77 -1.35 3.57 -1.48 -0.94 116.94 117.05 1pa1 h PHE 780 Ca 0.30 -0.10 0.13 0.00 3.53 0.00 0.00 57.97 61.84 1pa1 h PHE 780 Cb 0.10 -0.05 -0.09 0.00 2.79 0.00 0.00 35.95 38.70 1pa1 h PHE 780 CO -0.05 0.74 0.34 0.82 -2.23 0.00 0.00 178.31 177.93 1pa1 h ILE 781 N -0.30 0.71 -0.17 1.41 1.08 -1.18 -1.65 117.51 117.41 1pa1 h ILE 781 Ca 0.00 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 1pa1 h ILE 781 Cb 0.73 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 1pa1 h ILE 781 CO 0.03 0.09 0.00 0.23 -0.69 0.00 0.00 178.15 177.81 1pa1 n MET 782 N -4.94 1.82 0.00 2.37 2.81 -0.24 -4.88 117.12 114.05 1pa1 n MET 782 Ca 0.14 -0.80 0.00 0.00 -1.81 0.00 0.00 57.70 55.24 1pa1 n MET 782 Cb 0.39 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 1pa1 n MET 782 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pa1 n GLY 783 N 0.43 0.81 3.28 3.03 0.00 -0.62 -5.03 105.19 107.09 1pa1 n GLY 783 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 1pa1 n GLY 783 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pa1 n ASP 784 N 0.00 5.61 0.08 1.61 -0.08 -0.36 -4.86 116.55 118.55 1pa1 n ASP 784 Ca 0.00 -3.10 0.09 0.00 -1.51 0.00 0.00 54.79 50.27 1pa1 n ASP 784 Cb 0.00 -1.40 0.55 0.00 2.34 0.00 0.00 41.12 42.61 1pa1 n ASP 784 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1pa1 h SER 785 N 6.46 0.23 -0.21 1.67 0.02 -1.82 -2.84 113.55 117.06 1pa1 h SER 785 Ca 0.22 -0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.23 1pa1 h SER 785 Cb 0.81 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 1pa1 h SER 785 CO 1.15 0.15 0.25 0.77 -1.14 0.00 0.00 176.83 178.02 1pa1 h SER 786 N 0.26 0.00 0.06 3.07 4.64 -1.96 -2.16 113.55 117.46 1pa1 h SER 786 Ca 0.13 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 1pa1 h SER 786 Cb 0.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1pa1 h SER 786 CO -0.03 0.00 -0.04 -0.37 -0.87 0.00 0.00 176.83 175.52 1pa1 h VAL 787 N 0.00 0.77 -0.80 0.95 -1.51 -1.89 -2.11 116.25 111.66 1pa1 h VAL 787 Ca 0.10 -0.14 -0.04 0.00 -1.23 0.00 0.00 66.70 65.39 1pa1 h VAL 787 Cb 0.60 1.08 -0.04 0.00 -2.13 0.00 0.00 31.29 30.81 1pa1 h VAL 787 CO -0.00 0.04 0.35 -0.61 -1.23 0.00 0.00 177.57 176.11 1pa1 h GLN 788 N 0.00 1.17 -0.18 5.19 4.15 -1.62 0.30 115.11 124.11 1pa1 h GLN 788 Ca -0.00 -0.19 -0.10 0.00 0.77 0.00 0.00 58.65 59.13 1pa1 h GLN 788 Cb 0.08 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 1pa1 h GLN 788 CO 0.00 0.92 -0.31 -0.44 -1.93 0.00 0.00 178.83 177.08 1pa1 h ASP 789 N 1.15 0.36 -0.49 -0.69 3.32 -1.58 -1.93 116.42 116.56 1pa1 h ASP 789 Ca 0.27 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 57.10 1pa1 h ASP 789 Cb 0.17 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1pa1 h ASP 789 CO -0.03 0.66 -0.03 1.56 -1.72 0.00 0.00 179.24 179.68 1pa1 h GLN 790 N 0.31 0.89 -0.70 3.56 4.20 -1.10 -2.23 115.11 120.04 1pa1 h GLN 790 Ca 0.04 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.40 1pa1 h GLN 790 Cb 0.70 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 1pa1 h GLN 790 CO 0.05 0.94 0.23 -1.49 -0.67 0.00 0.00 178.83 177.90 1pa1 h TRP 791 N 0.75 1.11 -0.70 2.96 6.55 -0.62 -0.90 115.95 125.11 1pa1 h TRP 791 Ca 0.14 -0.11 0.04 0.00 0.95 0.00 0.00 58.89 59.91 1pa1 h TRP 791 Cb 0.56 -0.32 -0.05 0.00 -0.86 0.00 0.00 29.16 28.49 1pa1 h TRP 791 CO 0.04 0.88 0.42 -0.22 -1.05 0.00 0.00 178.44 178.52 1pa1 h LYS 792 N 1.02 0.78 -0.13 0.49 3.64 -1.13 0.11 116.57 121.36 1pa1 h LYS 792 Ca 0.23 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 1pa1 h LYS 792 Cb 0.28 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1pa1 h LYS 792 CO -0.01 0.52 -0.03 0.93 -2.27 0.00 0.00 179.45 178.59 1pa1 h GLU 793 N 0.81 0.24 0.00 1.90 4.39 -1.02 -3.06 114.58 117.84 1pa1 h GLU 793 Ca 0.29 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 1pa1 h GLU 793 Cb 0.08 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1pa1 h GLU 793 CO -0.13 0.55 -0.11 -0.07 -1.16 0.00 0.00 179.01 178.08 1pa1 h LEU 794 N -0.07 0.00 -0.80 1.33 3.38 -0.92 -2.19 115.31 116.03 1pa1 h LEU 794 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1pa1 h LEU 794 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1pa1 h LEU 794 CO 0.01 0.11 0.00 0.77 0.09 0.00 0.00 178.44 179.43 1pa1 h SER 795 N 0.00 0.00 -6.20 -0.43 4.64 -0.68 -3.45 113.55 107.42 1pa1 h SER 795 Ca -0.00 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.86 1pa1 h SER 795 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1pa1 h SER 795 CO 0.01 0.00 -0.74 1.41 -0.87 0.00 0.00 176.83 176.64 1pa1 n HIS 796 N -2.97 -2.43 0.23 4.77 8.25 -0.82 -4.86 115.22 117.38 1pa1 n HIS 796 Ca 0.02 0.93 0.09 0.00 -0.26 0.00 0.00 57.72 58.50 1pa1 n HIS 796 Cb 0.38 -4.22 0.52 0.00 1.12 0.00 0.00 29.99 27.80 1pa1 n HIS 796 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 1pa1 h GLU 797 N -2.23 0.00 0.00 -0.41 4.11 -1.84 -3.43 114.58 110.78 1pa1 h GLU 797 Ca -0.58 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.85 1pa1 h GLU 797 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1pa1 h GLU 797 CO 0.65 0.24 0.00 -0.25 0.07 0.00 0.00 179.01 179.72