#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r31 s ASP 504 N 0.00 4.42 0.00 1.96 -1.08 -1.26 -4.42 116.67 116.29 1r31 s ASP 504 Ca 0.00 -1.25 0.25 0.00 -0.52 0.00 0.00 52.55 51.02 1r31 s ASP 504 Cb 0.00 -1.59 1.11 0.00 -1.46 0.00 0.00 42.92 40.98 1r31 s ASP 504 CO 0.00 -0.18 1.76 -1.54 0.52 0.00 0.00 175.17 175.72 1r31 n SER 505 N 4.51 1.03 -4.61 -0.34 3.41 -1.26 -4.78 113.62 111.58 1r31 n SER 505 Ca -0.15 -1.47 -0.43 0.00 -0.26 0.00 0.00 58.87 56.56 1r31 n SER 505 Cb 0.43 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.33 1r31 n SER 505 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1r31 s ARG 506 N -1.93 3.77 -0.97 4.33 0.52 -1.26 -1.03 118.95 122.38 1r31 s ARG 506 Ca 0.36 0.69 -0.06 0.00 -0.52 0.00 0.00 55.73 56.20 1r31 s ARG 506 Cb 0.18 -3.89 0.24 0.00 0.52 0.00 0.00 34.95 32.01 1r31 s ARG 506 CO 0.29 -1.32 0.91 -0.51 0.02 0.00 0.00 175.30 174.70 1r31 s LEU 507 N 4.40 5.96 0.13 2.53 1.43 -1.26 -4.98 118.68 126.88 1r31 s LEU 507 Ca 0.49 -3.57 -0.35 0.00 -1.03 0.00 0.00 54.13 49.67 1r31 s LEU 507 Cb -0.09 -2.06 -0.15 0.00 0.03 0.00 0.00 46.19 43.93 1r31 s LEU 507 CO 0.29 -0.26 1.44 -2.65 0.23 0.00 0.00 176.35 175.40 1r31 n PRO 508 N 2.64 1.62 -1.11 1.29 -0.02 -1.26 -1.12 135.00 137.04 1r31 n PRO 508 Ca 0.21 0.58 -0.05 0.00 -2.02 0.00 0.00 63.50 62.23 1r31 n PRO 508 Cb 0.39 -2.28 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 1r31 n PRO 508 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r31 n ALA 509 N 2.87 -0.08 -0.26 3.55 0.00 -1.26 -4.84 120.51 120.49 1r31 n ALA 509 Ca 0.17 0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.77 1r31 n ALA 509 Cb 0.24 -1.57 0.21 0.00 0.00 0.00 0.00 19.45 18.32 1r31 n ALA 509 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1r31 h PHE 510 N 0.00 0.43 0.00 0.00 3.57 -1.54 0.25 116.94 119.65 1r31 h PHE 510 Ca -0.10 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1r31 h PHE 510 Cb 1.05 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.72 1r31 h PHE 510 CO 0.59 -0.03 0.00 2.89 -2.23 0.00 0.00 178.31 179.53 1r31 n ARG 511 N -5.08 0.13 -0.01 1.11 1.85 -1.26 -2.29 116.66 111.11 1r31 n ARG 511 Ca 0.16 0.19 0.08 0.00 -1.00 0.00 0.00 57.85 57.28 1r31 n ARG 511 Cb 0.49 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 30.28 1r31 n ARG 511 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1r31 n ASN 512 N -1.27 1.15 -4.81 2.89 3.02 0.86 -5.00 115.26 112.09 1r31 n ASN 512 Ca 0.04 -0.18 -0.31 0.00 -0.03 0.00 0.00 54.58 54.10 1r31 n ASN 512 Cb 0.07 1.60 0.04 0.00 -0.61 0.00 0.00 39.78 40.88 1r31 n ASN 512 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1r31 s LEU 513 N -3.86 3.24 0.77 3.41 1.02 -0.97 -5.04 118.68 117.25 1r31 s LEU 513 Ca -0.04 1.68 -0.11 0.00 0.02 0.00 0.00 54.13 55.68 1r31 s LEU 513 Cb 0.11 -4.51 0.05 0.00 0.02 0.00 0.00 46.19 41.86 1r31 s LEU 513 CO 0.68 -1.38 1.09 -0.94 0.02 0.00 0.00 176.35 175.82 1r31 s SER 514 N -3.47 4.75 0.23 2.29 1.04 -1.26 -4.78 113.70 112.49 1r31 s SER 514 Ca 0.60 1.35 -0.06 0.00 0.48 0.00 0.00 55.95 58.32 1r31 s SER 514 Cb -0.15 -2.12 0.33 0.00 0.10 0.00 0.00 66.02 64.19 1r31 s SER 514 CO 0.49 -1.81 1.81 -0.65 0.98 0.00 0.00 173.24 174.06 1r31 h PRO 515 N -0.98 0.73 -0.62 4.02 0.11 -1.97 0.15 132.00 133.44 1r31 h PRO 515 Ca -0.46 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1r31 h PRO 515 Cb 1.26 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1r31 h PRO 515 CO 0.59 0.48 0.29 0.00 -0.21 0.00 0.00 178.00 179.15 1r31 h ALA 516 N 1.41 0.81 -0.56 -0.75 0.00 -1.99 0.38 119.26 118.56 1r31 h ALA 516 Ca 0.36 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1r31 h ALA 516 Cb 0.29 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1r31 h ALA 516 CO -0.22 0.38 -0.10 0.00 0.00 0.00 0.00 179.25 179.31 1r31 h ALA 517 N 1.12 0.77 -0.13 0.00 0.00 -1.76 -0.76 119.26 118.51 1r31 h ALA 517 Ca 0.21 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1r31 h ALA 517 Cb 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1r31 h ALA 517 CO -0.03 0.68 0.07 0.00 0.00 0.00 0.00 179.25 179.97 1r31 h ARG 518 N 0.93 0.18 -0.15 0.00 3.08 -0.64 0.04 114.38 117.82 1r31 h ARG 518 Ca 0.15 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.21 1r31 h ARG 518 Cb 0.67 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 1r31 h ARG 518 CO 0.05 0.19 -0.04 1.25 -1.07 0.00 0.00 179.97 180.35 1r31 h LEU 519 N 0.12 -0.14 -0.45 3.04 5.85 -0.79 -0.48 115.31 122.47 1r31 h LEU 519 Ca 0.05 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.88 1r31 h LEU 519 Cb 0.06 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 1r31 h LEU 519 CO -0.01 -0.05 0.10 0.44 -0.34 0.00 0.00 178.44 178.58 1r31 h ASP 520 N -0.00 0.03 -0.06 1.25 3.32 -0.93 -0.83 116.42 119.21 1r31 h ASP 520 Ca 0.07 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.23 1r31 h ASP 520 Cb 0.11 0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.69 1r31 h ASP 520 CO -0.16 0.05 -0.43 0.45 -1.72 0.00 0.00 179.24 177.44 1r31 h HIS 521 N 0.24 -1.23 -0.83 4.55 3.86 -0.48 -2.16 115.15 119.11 1r31 h HIS 521 Ca 0.22 0.04 0.13 0.00 -1.16 0.00 0.00 60.37 59.60 1r31 h HIS 521 Cb 0.27 0.55 -0.09 0.00 1.06 0.00 0.00 27.41 29.20 1r31 h HIS 521 CO -0.20 -0.49 0.43 0.82 0.86 0.00 0.00 177.93 179.35 1r31 h ILE 522 N -0.54 0.78 -0.43 2.45 1.08 -0.44 -0.76 117.51 119.65 1r31 h ILE 522 Ca 0.06 -0.23 -0.01 0.00 -0.39 0.00 0.00 64.86 64.29 1r31 h ILE 522 Cb 0.65 0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 34.44 1r31 h ILE 522 CO -0.36 0.12 0.24 1.23 -0.69 0.00 0.00 178.15 178.69 1r31 h GLY 523 N 0.66 0.63 0.61 5.37 0.00 -0.79 -2.10 103.07 107.44 1r31 h GLY 523 Ca 0.43 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 1r31 h GLY 523 CO -0.33 0.25 -0.29 -1.61 0.00 0.00 0.00 176.54 174.57 1r31 h GLN 524 N 0.60 -0.79 -0.87 4.80 5.75 -0.55 0.27 115.11 124.33 1r31 h GLN 524 Ca 0.16 0.05 0.15 0.00 -0.15 0.00 0.00 58.65 58.86 1r31 h GLN 524 Cb 0.01 0.18 -0.09 0.00 1.07 0.00 0.00 27.48 28.65 1r31 h GLN 524 CO -0.03 -0.53 0.46 -0.07 -2.65 0.00 0.00 178.83 176.02 1r31 h LEU 525 N -1.12 0.57 0.00 -2.39 3.38 -1.20 -2.17 115.31 112.38 1r31 h LEU 525 Ca -0.08 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1r31 h LEU 525 Cb 0.63 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1r31 h LEU 525 CO 0.14 0.24 -0.84 0.18 0.09 0.00 0.00 178.44 178.25 1r31 n LEU 526 N -4.85 0.63 -1.99 1.67 4.77 -0.80 -4.98 117.00 111.46 1r31 n LEU 526 Ca 0.18 0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 56.08 1r31 n LEU 526 Cb 0.44 -0.14 0.04 0.00 -2.33 0.00 0.00 43.42 41.43 1r31 n LEU 526 CO 0.21 0.04 0.11 0.61 -1.33 0.00 0.00 177.39 177.03 1r31 n GLY 527 N 1.38 0.22 3.77 -0.72 0.00 0.70 -4.99 105.19 105.56 1r31 n GLY 527 Ca 0.03 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 1r31 n GLY 527 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r31 s LEU 528 N -4.01 3.92 0.98 0.99 1.43 0.28 -5.02 118.68 117.24 1r31 s LEU 528 Ca 0.25 2.22 -0.15 0.00 -1.03 0.00 0.00 54.13 55.42 1r31 s LEU 528 Cb -0.11 -4.38 0.19 0.00 0.03 0.00 0.00 46.19 41.92 1r31 s LEU 528 CO 0.35 -0.99 1.21 -0.94 0.23 0.00 0.00 176.35 176.21 1r31 s SER 529 N -1.56 2.95 0.06 2.29 1.04 -1.26 -4.87 113.70 112.35 1r31 s SER 529 Ca 0.67 0.58 -0.27 0.00 0.48 0.00 0.00 55.95 57.41 1r31 s SER 529 Cb -0.26 -0.86 -0.17 0.00 0.10 0.00 0.00 66.02 64.83 1r31 s SER 529 CO 0.31 -2.86 1.55 -0.74 0.98 0.00 0.00 173.24 172.47 1r31 h HIS 530 N -1.72 -0.39 -0.63 5.02 2.76 -2.00 -2.60 115.15 115.59 1r31 h HIS 530 Ca -0.46 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 57.82 1r31 h HIS 530 Cb 1.28 0.13 -0.09 0.00 1.55 0.00 0.00 27.41 30.28 1r31 h HIS 530 CO -0.80 -0.17 0.12 -0.44 -1.30 0.00 0.00 177.93 175.34 1r31 h ASP 531 N -0.53 -0.03 0.12 3.26 3.45 -1.99 -1.27 116.42 119.43 1r31 h ASP 531 Ca -0.04 0.12 0.02 0.00 0.43 0.00 0.00 57.03 57.56 1r31 h ASP 531 Cb 0.40 0.18 -0.04 0.00 -0.56 0.00 0.00 39.33 39.30 1r31 h ASP 531 CO 0.07 -0.02 -0.34 0.44 -1.57 0.00 0.00 179.24 177.82 1r31 h ASP 532 N 0.24 -0.99 -0.66 6.45 5.19 -1.90 -1.99 116.42 122.77 1r31 h ASP 532 Ca 0.34 0.11 0.08 0.00 -0.62 0.00 0.00 57.03 56.94 1r31 h ASP 532 Cb 0.53 0.37 -0.04 0.00 0.18 0.00 0.00 39.33 40.37 1r31 h ASP 532 CO -0.44 -0.43 0.44 0.58 -3.12 0.00 0.00 179.24 176.27 1r31 h VAL 533 N -0.57 0.95 -0.04 -1.35 2.07 -1.02 -1.36 116.25 114.93 1r31 h VAL 533 Ca 0.03 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1r31 h VAL 533 Cb 0.60 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1r31 h VAL 533 CO -0.20 0.11 -0.07 0.28 0.02 0.00 0.00 177.57 177.70 1r31 h SER 534 N 0.58 0.05 0.07 0.57 0.02 -0.50 -1.23 113.55 113.11 1r31 h SER 534 Ca 0.30 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1r31 h SER 534 Cb 0.41 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 1r31 h SER 534 CO -0.09 0.14 -0.07 -0.07 -1.14 0.00 0.00 176.83 175.59 1r31 h LEU 535 N 0.06 0.00 0.00 5.07 3.38 -0.91 -2.84 115.31 120.08 1r31 h LEU 535 Ca 0.01 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.74 1r31 h LEU 535 Cb 0.17 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 1r31 h LEU 535 CO 0.01 0.07 -2.26 0.18 0.09 0.00 0.00 178.44 176.53 1r31 n LEU 536 N -4.46 0.00 0.05 1.67 4.77 -0.85 -4.38 117.00 113.81 1r31 n LEU 536 Ca -0.03 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.07 1r31 n LEU 536 Cb 0.15 0.33 0.46 0.00 -2.33 0.00 0.00 43.42 42.03 1r31 n LEU 536 CO 0.35 0.33 0.86 0.00 -1.33 0.00 0.00 177.39 177.60 1r31 n ALA 537 N -2.58 2.00 -2.64 -1.18 0.00 -0.52 -4.74 120.51 110.85 1r31 n ALA 537 Ca -0.23 -0.03 -0.20 0.00 0.00 0.00 0.00 53.44 52.98 1r31 n ALA 537 Cb 0.96 -1.39 -0.15 0.00 0.00 0.00 0.00 19.45 18.87 1r31 n ALA 537 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1r31 s ASN 538 N -3.62 1.32 0.49 0.00 0.01 -1.08 -5.06 114.94 107.00 1r31 s ASN 538 Ca 0.09 -0.22 -0.21 0.00 -0.71 0.00 0.00 52.86 51.81 1r31 s ASN 538 Cb 0.13 -0.14 -0.07 0.00 0.41 0.00 0.00 41.25 41.57 1r31 s ASN 538 CO 0.45 0.12 1.09 0.00 -1.51 0.00 0.00 177.10 177.25 1r31 s ALA 539 N -0.32 2.85 0.00 0.60 0.00 -1.26 -4.24 121.76 119.39 1r31 s ALA 539 Ca 0.04 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1r31 s ALA 539 Cb -0.05 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1r31 s ALA 539 CO -0.00 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.66 1r31 n GLY 540 N 0.06 1.42 0.33 0.00 0.00 -1.26 -4.98 105.19 100.76 1r31 n GLY 540 Ca 0.09 -0.26 0.21 0.00 0.00 0.00 0.00 46.02 46.07 1r31 n GLY 540 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r31 h ALA 541 N 0.00 1.04 -2.26 4.61 0.00 -1.79 -3.35 119.26 117.51 1r31 h ALA 541 Ca 0.00 -0.00 -0.76 0.00 0.00 0.00 0.00 54.91 54.15 1r31 h ALA 541 Cb 0.23 -0.00 -0.25 0.00 0.00 0.00 0.00 17.79 17.77 1r31 h ALA 541 CO 0.00 0.00 -0.20 -1.17 0.00 0.00 0.00 179.25 177.89 1r31 s LEU 542 N -6.28 6.21 0.52 0.00 2.96 -1.26 -4.62 118.68 116.20 1r31 s LEU 542 Ca -0.04 -1.94 -0.23 0.00 -0.22 0.00 0.00 54.13 51.70 1r31 s LEU 542 Cb 0.13 -2.19 -0.06 0.00 0.50 0.00 0.00 46.19 44.57 1r31 s LEU 542 CO 0.44 -0.80 1.40 -2.16 -1.32 0.00 0.00 176.35 173.91 1r31 s PRO 543 N 1.36 3.29 0.41 0.98 0.04 -1.26 -4.76 135.00 135.07 1r31 s PRO 543 Ca 0.05 2.33 0.10 0.00 0.04 0.00 0.00 61.00 63.53 1r31 s PRO 543 Cb -0.27 -2.39 0.93 0.00 0.04 0.00 0.00 34.50 32.81 1r31 s PRO 543 CO 0.01 -1.10 2.00 0.52 0.04 0.00 0.00 177.00 178.47 1r31 h MET 544 N 1.72 0.50 -0.05 4.56 2.86 -1.97 -0.60 114.93 121.96 1r31 h MET 544 Ca -0.51 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.04 1r31 h MET 544 Cb 1.29 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 1r31 h MET 544 CO 0.58 0.33 -0.25 0.38 1.06 0.00 0.00 176.91 179.01 1r31 h ASP 545 N 0.51 0.08 0.02 1.22 3.04 -1.98 0.32 116.42 119.64 1r31 h ASP 545 Ca 0.24 -0.02 -0.05 0.00 -3.24 0.00 0.00 57.03 53.96 1r31 h ASP 545 Cb 0.29 -0.02 0.01 0.00 -1.04 0.00 0.00 39.33 38.57 1r31 h ASP 545 CO -0.07 0.34 -0.21 0.40 -2.04 0.00 0.00 179.24 177.67 1r31 h ILE 546 N 0.08 1.65 -0.33 4.15 1.08 -1.57 -3.08 117.51 119.49 1r31 h ILE 546 Ca 0.01 -2.17 0.05 0.00 -0.39 0.00 0.00 64.86 62.37 1r31 h ILE 546 Cb 0.50 3.08 -0.05 0.00 -3.07 0.00 0.00 36.82 37.28 1r31 h ILE 546 CO 0.04 0.58 0.04 0.00 -0.69 0.00 0.00 178.15 178.11 1r31 h ALA 547 N 0.13 0.33 0.00 1.87 0.00 -0.91 -0.84 119.26 119.83 1r31 h ALA 547 Ca -0.03 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1r31 h ALA 547 Cb 1.07 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1r31 h ALA 547 CO 0.04 -0.37 -0.02 -0.97 0.00 0.00 0.00 179.25 177.93 1r31 h ASN 548 N 0.14 0.00 0.52 0.00 -1.24 -0.48 -1.03 115.58 113.49 1r31 h ASN 548 Ca 0.16 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.17 1r31 h ASN 548 Cb 0.19 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.24 1r31 h ASN 548 CO -0.23 0.02 -0.70 0.61 -1.29 0.00 0.00 177.43 175.83 1r31 n GLY 549 N -1.04 -1.25 0.09 1.57 0.00 -0.41 -4.40 105.19 99.75 1r31 n GLY 549 Ca -0.03 -0.36 -0.16 0.00 0.00 0.00 0.00 46.02 45.47 1r31 n GLY 549 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1r31 h MET 550 N 0.00 0.13 -4.99 1.61 2.86 -0.30 -3.48 114.93 110.76 1r31 h MET 550 Ca 0.00 -0.20 -0.52 0.00 -2.06 0.00 0.00 59.70 56.92 1r31 h MET 550 Cb 0.61 0.07 -0.13 0.00 0.06 0.00 0.00 31.60 32.21 1r31 h MET 550 CO 0.00 1.07 -0.51 0.96 1.06 0.00 0.00 176.91 179.49 1r31 s ILE 551 N -2.42 0.41 0.36 -1.22 -4.36 -1.23 -5.12 121.20 107.63 1r31 s ILE 551 Ca -0.17 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.24 1r31 s ILE 551 Cb -0.01 -2.39 -0.02 0.00 1.25 0.00 0.00 42.46 41.28 1r31 s ILE 551 CO 0.75 0.00 0.55 -1.61 0.24 0.00 0.00 174.94 174.87 1r31 s GLU 552 N -3.65 3.34 -1.44 0.37 8.01 -1.26 -4.49 118.70 119.58 1r31 s GLU 552 Ca 0.29 -0.49 -0.10 0.00 0.01 0.00 0.00 54.97 54.69 1r31 s GLU 552 Cb 0.03 -2.68 0.06 0.00 -4.31 0.00 0.00 34.13 27.23 1r31 s GLU 552 CO 0.18 0.07 0.69 0.09 0.01 0.00 0.00 175.26 176.30 1r31 n ASN 553 N -1.80 -4.76 -4.75 -0.19 4.13 -1.26 -4.94 115.26 101.68 1r31 n ASN 553 Ca -0.03 -0.49 -0.41 0.00 1.68 0.00 0.00 54.58 55.33 1r31 n ASN 553 Cb 0.57 -3.86 -0.03 0.00 -1.54 0.00 0.00 39.78 34.92 1r31 n ASN 553 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1r31 s VAL 554 N -3.12 3.20 0.00 2.41 1.01 -1.26 -4.93 120.40 117.71 1r31 s VAL 554 Ca 0.46 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.54 1r31 s VAL 554 Cb -0.23 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1r31 s VAL 554 CO 0.57 0.21 0.62 2.30 0.00 0.00 0.00 175.10 178.80 1r31 n ILE 555 N 1.79 0.37 -3.84 2.22 -5.35 -1.26 -5.03 119.36 108.26 1r31 n ILE 555 Ca 0.02 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 1r31 n ILE 555 Cb 0.43 0.95 0.00 0.00 -1.74 0.00 0.00 39.64 39.28 1r31 n ILE 555 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1r31 n GLY 556 N -0.18 -0.55 3.36 3.28 0.00 -1.26 -5.16 105.19 104.67 1r31 n GLY 556 Ca 0.00 -1.17 -0.18 0.00 0.00 0.00 0.00 46.02 44.67 1r31 n GLY 556 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r31 s THR 557 N -2.99 1.23 -0.07 2.61 -4.23 -1.26 -4.99 115.64 105.94 1r31 s THR 557 Ca 0.00 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 1r31 s THR 557 Cb 0.00 -2.35 0.02 0.00 1.34 0.00 0.00 72.50 71.51 1r31 s THR 557 CO 0.00 -0.34 -0.05 0.12 -0.54 0.00 0.00 174.62 173.81 1r31 s PHE 558 N -3.28 1.00 0.11 3.99 5.36 -1.26 -5.15 117.98 118.75 1r31 s PHE 558 Ca 0.28 -0.36 -0.02 0.00 -0.96 0.00 0.00 56.93 55.87 1r31 s PHE 558 Cb 0.05 -0.88 -0.05 0.00 -0.34 0.00 0.00 43.02 41.80 1r31 s PHE 558 CO 0.09 -0.30 0.29 -1.21 -1.46 0.00 0.00 175.22 172.63 1r31 s GLU 559 N 1.27 3.52 0.05 10.12 2.02 -1.26 -5.11 118.70 129.31 1r31 s GLU 559 Ca -0.05 -0.30 0.02 0.00 0.02 0.00 0.00 54.97 54.66 1r31 s GLU 559 Cb -0.14 -2.95 -0.03 0.00 0.10 0.00 0.00 34.13 31.12 1r31 s GLU 559 CO -0.02 0.53 -0.08 -0.51 0.02 0.00 0.00 175.26 175.21 1r31 s LEU 560 N -2.65 2.30 0.51 1.80 1.43 -1.26 -5.13 118.68 115.68 1r31 s LEU 560 Ca 0.38 -0.64 -0.23 0.00 -1.03 0.00 0.00 54.13 52.61 1r31 s LEU 560 Cb -0.12 -0.15 -0.06 0.00 0.03 0.00 0.00 46.19 45.88 1r31 s LEU 560 CO 0.27 -0.25 1.39 -2.84 0.23 0.00 0.00 176.35 175.15 1r31 s PRO 561 N -2.00 3.34 -0.27 1.29 0.02 -1.26 -4.91 135.00 131.21 1r31 s PRO 561 Ca -0.06 2.33 0.01 0.00 0.02 0.00 0.00 61.00 63.30 1r31 s PRO 561 Cb -0.07 -2.41 0.05 0.00 0.02 0.00 0.00 34.50 32.09 1r31 s PRO 561 CO -0.01 -1.06 -0.07 -0.47 -0.33 0.00 0.00 177.00 175.07 1r31 s TYR 562 N -1.25 3.25 0.46 6.54 5.04 -1.26 -3.53 117.35 126.59 1r31 s TYR 562 Ca 0.68 -2.12 0.04 0.00 -2.44 0.00 0.00 57.07 53.22 1r31 s TYR 562 Cb -0.42 -2.00 -0.04 0.00 0.35 0.00 0.00 41.96 39.84 1r31 s TYR 562 CO 0.52 -0.84 0.01 0.00 -1.34 0.00 0.00 175.55 173.89 1r31 s ALA 563 N 1.17 3.62 -0.09 3.97 0.00 -0.15 -4.96 121.76 125.32 1r31 s ALA 563 Ca -0.07 -1.25 -0.00 0.00 0.00 0.00 0.00 51.96 50.63 1r31 s ALA 563 Cb -0.20 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1r31 s ALA 563 CO -0.04 -0.08 -0.06 0.08 0.00 0.00 0.00 175.76 175.66 1r31 s VAL 564 N -2.84 0.85 0.26 0.00 1.01 -1.26 -0.67 120.40 117.75 1r31 s VAL 564 Ca 0.19 -0.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.70 1r31 s VAL 564 Cb 0.05 -0.89 -0.09 0.00 0.00 0.00 0.00 36.38 35.45 1r31 s VAL 564 CO 0.10 0.33 0.91 0.00 0.00 0.00 0.00 175.10 176.44 1r31 s ALA 565 N 1.63 3.32 0.44 5.51 0.00 0.90 -4.92 121.76 128.64 1r31 s ALA 565 Ca 0.02 0.53 0.08 0.00 0.00 0.00 0.00 51.96 52.59 1r31 s ALA 565 Cb -0.13 -3.14 -0.00 0.00 0.00 0.00 0.00 23.12 19.84 1r31 s ALA 565 CO -0.06 0.22 0.44 -1.54 0.00 0.00 0.00 175.76 174.81 1r31 s SER 566 N -1.35 5.10 0.00 0.00 1.04 -1.26 -3.07 113.70 114.16 1r31 s SER 566 Ca 0.43 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1r31 s SER 566 Cb -0.23 -0.43 0.00 0.00 0.10 0.00 0.00 66.02 65.47 1r31 s SER 566 CO 0.28 -0.76 0.00 0.59 0.98 0.00 0.00 173.24 174.33 1r31 n ASN 567 N -1.66 -0.71 -4.77 7.02 3.02 -0.20 -4.42 115.26 113.55 1r31 n ASN 567 Ca 0.05 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.20 1r31 n ASN 567 Cb 0.62 -1.08 -0.02 0.00 -0.61 0.00 0.00 39.78 38.68 1r31 n ASN 567 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1r31 s PHE 568 N -2.64 3.16 -0.10 3.10 0.40 -1.25 -4.43 117.98 116.22 1r31 s PHE 568 Ca 0.00 1.54 -0.03 0.00 -0.60 0.00 0.00 56.93 57.83 1r31 s PHE 568 Cb 0.00 -3.47 0.05 0.00 0.51 0.00 0.00 43.02 40.11 1r31 s PHE 568 CO 0.00 -1.36 0.16 -1.14 0.70 0.00 0.00 175.22 173.58 1r31 s GLN 569 N -1.96 0.05 -0.22 0.44 0.74 -1.26 -1.15 119.66 116.29 1r31 s GLN 569 Ca 0.52 0.50 -0.00 0.00 0.05 0.00 0.00 55.36 56.42 1r31 s GLN 569 Cb -0.34 -0.44 0.02 0.00 1.10 0.00 0.00 33.01 33.35 1r31 s GLN 569 CO 0.44 -0.36 -0.11 0.42 -0.55 0.00 0.00 175.29 175.13 1r31 s ILE 570 N 2.29 2.56 -1.55 -2.34 -1.09 0.39 -1.21 121.20 120.26 1r31 s ILE 570 Ca 0.03 -1.02 -0.11 0.00 -2.23 0.00 0.00 60.65 57.33 1r31 s ILE 570 Cb -0.13 -2.24 0.08 0.00 -1.58 0.00 0.00 42.46 38.59 1r31 s ILE 570 CO -0.06 0.31 0.72 0.59 -1.23 0.00 0.00 174.94 175.26 1r31 n ASN 571 N 4.63 -2.64 0.00 3.58 3.02 0.26 -1.53 115.26 122.59 1r31 n ASN 571 Ca -0.18 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 1r31 n ASN 571 Cb 0.48 -3.22 0.00 0.00 -0.61 0.00 0.00 39.78 36.42 1r31 n ASN 571 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r31 n GLY 572 N -1.66 1.01 3.30 7.41 0.00 -1.26 -5.04 105.19 108.94 1r31 n GLY 572 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1r31 n GLY 572 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r31 s ARG 573 N -0.34 3.17 0.34 1.61 0.52 -0.58 -5.10 118.95 118.57 1r31 s ARG 573 Ca 0.00 -0.78 -0.28 0.00 -0.52 0.00 0.00 55.73 54.15 1r31 s ARG 573 Cb 0.00 -2.45 -0.09 0.00 0.52 0.00 0.00 34.95 32.92 1r31 s ARG 573 CO 0.00 0.22 1.21 -0.51 0.02 0.00 0.00 175.30 176.23 1r31 s ASP 574 N 0.30 6.82 -0.04 0.23 1.11 -1.26 -0.46 116.67 123.36 1r31 s ASP 574 Ca -0.14 2.47 -0.06 0.00 0.18 0.00 0.00 52.55 55.00 1r31 s ASP 574 Cb -0.17 -2.63 0.01 0.00 1.07 0.00 0.00 42.92 41.20 1r31 s ASP 574 CO 0.07 -0.48 0.15 0.54 1.18 0.00 0.00 175.17 176.63 1r31 s VAL 575 N -1.23 0.02 -0.14 -1.27 0.11 -0.30 -4.87 120.40 112.72 1r31 s VAL 575 Ca 0.50 -0.18 -0.10 0.00 -2.93 0.00 0.00 61.98 59.28 1r31 s VAL 575 Cb -0.35 -0.27 -0.05 0.00 -1.53 0.00 0.00 36.38 34.18 1r31 s VAL 575 CO 0.45 -0.10 0.19 -0.76 -3.33 0.00 0.00 175.10 171.56 1r31 s LEU 576 N -0.28 4.31 -0.24 2.54 1.43 -1.26 -3.95 118.68 121.22 1r31 s LEU 576 Ca -0.04 0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 53.50 1r31 s LEU 576 Cb -0.03 -2.19 0.03 0.00 0.03 0.00 0.00 46.19 44.03 1r31 s LEU 576 CO 0.01 0.26 -0.08 -0.69 0.23 0.00 0.00 176.35 176.08 1r31 s VAL 577 N -0.26 2.74 0.31 -1.59 1.01 -1.17 -4.28 120.40 117.16 1r31 s VAL 577 Ca 0.14 -1.06 -0.27 0.00 0.00 0.00 0.00 61.98 60.78 1r31 s VAL 577 Cb -0.12 -2.39 -0.09 0.00 0.00 0.00 0.00 36.38 33.77 1r31 s VAL 577 CO 0.03 0.21 0.99 -2.84 0.00 0.00 0.00 175.10 173.50 1r31 s PRO 578 N 1.30 4.58 -0.09 2.72 0.02 -1.26 -0.07 135.00 142.20 1r31 s PRO 578 Ca -0.00 1.50 -0.05 0.00 0.02 0.00 0.00 61.00 62.46 1r31 s PRO 578 Cb -0.17 -2.94 0.04 0.00 0.02 0.00 0.00 34.50 31.45 1r31 s PRO 578 CO -0.05 0.24 0.22 -0.51 -0.33 0.00 0.00 177.00 176.57 1r31 s LEU 579 N -1.85 0.68 -0.21 -5.54 1.43 0.15 -4.34 118.68 109.00 1r31 s LEU 579 Ca 0.48 0.46 0.02 0.00 -1.03 0.00 0.00 54.13 54.06 1r31 s LEU 579 Cb -0.24 0.68 0.04 0.00 0.03 0.00 0.00 46.19 46.70 1r31 s LEU 579 CO 0.30 -0.14 -0.14 -0.69 0.23 0.00 0.00 176.35 175.91 1r31 s VAL 580 N 0.92 1.94 0.16 -1.59 1.01 -0.66 -0.98 120.40 121.20 1r31 s VAL 580 Ca -0.07 -1.17 -0.24 0.00 0.00 0.00 0.00 61.98 60.50 1r31 s VAL 580 Cb -0.08 -1.93 0.06 0.00 0.00 0.00 0.00 36.38 34.43 1r31 s VAL 580 CO -0.06 0.24 0.81 0.54 0.00 0.00 0.00 175.10 176.63 1r31 s VAL 581 N 1.27 0.00 -0.65 2.92 0.11 -1.23 -4.29 120.40 118.53 1r31 s VAL 581 Ca -0.01 -0.50 0.17 0.00 -2.93 0.00 0.00 61.98 58.71 1r31 s VAL 581 Cb -0.16 -1.61 -0.21 0.00 -1.53 0.00 0.00 36.38 32.87 1r31 s VAL 581 CO -0.09 0.00 0.66 -1.84 -3.33 0.00 0.00 175.10 170.51 1r31 n GLU 582 N -0.41 1.13 -3.29 1.54 0.00 -1.26 -4.17 120.64 114.19 1r31 n GLU 582 Ca -0.08 -0.03 -0.32 0.00 0.00 0.00 0.00 57.16 56.72 1r31 n GLU 582 Cb 0.61 -1.34 -0.06 0.00 0.00 0.00 0.00 31.44 30.66 1r31 n GLU 582 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1r31 s GLU 583 N -2.76 3.90 0.71 3.44 2.12 -1.26 -5.08 118.70 119.77 1r31 s GLU 583 Ca 0.04 0.46 -0.09 0.00 0.36 0.00 0.00 54.97 55.74 1r31 s GLU 583 Cb 0.13 -2.55 0.05 0.00 0.26 0.00 0.00 34.13 32.01 1r31 s GLU 583 CO 0.72 0.25 1.06 -2.14 -0.54 0.00 0.00 175.26 174.60 1r31 s PRO 584 N -2.88 2.38 0.00 4.30 0.02 -1.26 -4.22 135.00 133.35 1r31 s PRO 584 Ca 0.50 0.03 0.00 0.00 0.02 0.00 0.00 61.00 61.55 1r31 s PRO 584 Cb -0.11 -2.10 0.00 0.00 0.02 0.00 0.00 34.50 32.31 1r31 s PRO 584 CO 0.19 -1.21 0.00 0.43 -0.33 0.00 0.00 177.00 176.09 1r31 n SER 585 N -2.99 -1.06 -0.06 2.53 7.64 -1.26 -4.78 113.62 113.64 1r31 n SER 585 Ca 0.07 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.88 1r31 n SER 585 Cb 0.59 -1.96 -0.05 0.00 -1.01 0.00 0.00 64.21 61.78 1r31 n SER 585 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1r31 h ILE 586 N 0.00 0.62 -0.82 0.44 2.04 -1.97 -2.75 117.51 115.07 1r31 h ILE 586 Ca 0.00 -1.51 0.01 0.00 1.00 0.00 0.00 64.86 64.36 1r31 h ILE 586 Cb 0.15 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1r31 h ILE 586 CO 0.00 0.21 0.54 0.58 0.00 0.00 0.00 178.15 179.48 1r31 h VAL 587 N -1.00 1.21 -0.37 1.67 2.07 -1.86 -1.70 116.25 116.27 1r31 h VAL 587 Ca -0.03 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 1r31 h VAL 587 Cb 0.50 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1r31 h VAL 587 CO -0.02 0.20 0.08 0.00 0.02 0.00 0.00 177.57 177.85 1r31 h ALA 588 N 1.30 0.49 -0.61 1.67 0.00 -1.96 -1.61 119.26 118.54 1r31 h ALA 588 Ca 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1r31 h ALA 588 Cb -0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1r31 h ALA 588 CO -0.06 0.17 0.33 0.00 0.00 0.00 0.00 179.25 179.68 1r31 h ALA 589 N 0.93 0.78 -0.16 0.00 0.00 -1.24 0.39 119.26 119.95 1r31 h ALA 589 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1r31 h ALA 589 Cb 0.32 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1r31 h ALA 589 CO 0.00 0.31 0.10 0.00 0.00 0.00 0.00 179.25 179.66 1r31 h ALA 590 N 1.15 0.21 0.22 0.00 0.00 -1.18 -1.63 119.26 118.02 1r31 h ALA 590 Ca 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1r31 h ALA 590 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1r31 h ALA 590 CO -0.03 -0.29 -0.10 0.77 0.00 0.00 0.00 179.25 179.59 1r31 h SER 591 N 0.20 -0.25 0.30 0.00 0.02 -1.07 -1.04 113.55 111.71 1r31 h SER 591 Ca 0.06 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1r31 h SER 591 Cb 0.01 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1r31 h SER 591 CO -0.01 -0.15 -0.45 0.22 -1.14 0.00 0.00 176.83 175.30 1r31 h TYR 592 N -0.33 -1.26 -0.77 3.45 3.20 -0.82 -1.21 116.97 119.22 1r31 h TYR 592 Ca -0.03 0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.97 1r31 h TYR 592 Cb 0.25 0.51 -0.05 0.00 1.54 0.00 0.00 36.73 38.98 1r31 h TYR 592 CO -0.05 -0.58 0.51 0.52 -1.64 0.00 0.00 178.16 176.91 1r31 h MET 593 N -0.81 0.59 -0.52 1.82 2.86 -1.25 0.15 114.93 117.77 1r31 h MET 593 Ca -0.02 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 1r31 h MET 593 Cb 0.76 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 1r31 h MET 593 CO -0.15 0.39 0.11 0.00 1.06 0.00 0.00 176.91 178.32 1r31 h ALA 594 N 1.62 1.21 -0.34 6.32 0.00 -0.58 -1.65 119.26 125.84 1r31 h ALA 594 Ca 0.37 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1r31 h ALA 594 Cb 0.59 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1r31 h ALA 594 CO -0.14 0.54 0.20 -0.22 0.00 0.00 0.00 179.25 179.64 1r31 h LYS 595 N 0.77 0.46 -0.45 0.00 3.64 0.47 -2.12 116.57 119.34 1r31 h LYS 595 Ca 0.17 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 1r31 h LYS 595 Cb 0.31 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1r31 h LYS 595 CO 0.00 0.35 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.45 1r31 h LEU 596 N 0.44 0.72 -1.42 5.20 3.38 -1.12 -2.78 115.31 119.73 1r31 h LEU 596 Ca 0.12 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1r31 h LEU 596 Cb 0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1r31 h LEU 596 CO -0.02 0.80 -0.01 0.00 0.09 0.00 0.00 178.44 179.31 1r31 h ALA 597 N 1.28 1.53 -0.77 1.53 0.00 -0.88 -3.01 119.26 118.95 1r31 h ALA 597 Ca 0.14 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1r31 h ALA 597 Cb 0.46 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 1r31 h ALA 597 CO 0.02 0.34 0.42 0.00 0.00 0.00 0.00 179.25 180.03 1r31 h ARG 598 N 0.36 0.70 -0.05 0.00 3.08 -1.09 0.36 114.38 117.73 1r31 h ARG 598 Ca 0.08 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.10 1r31 h ARG 598 Cb 0.25 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1r31 h ARG 598 CO 0.01 0.46 0.10 0.00 -1.07 0.00 0.00 179.97 179.47 1r31 h ALA 599 N 1.43 1.40 -0.16 0.04 0.00 -1.64 -2.26 119.26 118.07 1r31 h ALA 599 Ca 0.37 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.21 1r31 h ALA 599 Cb 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1r31 h ALA 599 CO -0.24 -0.13 -0.21 0.09 0.00 0.00 0.00 179.25 178.76 1r31 n ASN 600 N -3.44 2.33 0.00 0.00 3.02 -0.79 -4.93 115.26 111.44 1r31 n ASN 600 Ca -0.02 -3.64 0.00 0.00 -0.03 0.00 0.00 54.58 50.90 1r31 n ASN 600 Cb 0.18 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 1r31 n ASN 600 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r31 n GLY 601 N -1.11 0.42 7.00 7.41 0.00 -0.85 -4.86 105.19 113.20 1r31 n GLY 601 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1r31 n GLY 601 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r31 n GLY 602 N -1.84 -0.48 3.87 -0.02 0.00 0.12 -4.47 105.19 102.37 1r31 n GLY 602 Ca 0.00 -1.09 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 1r31 n GLY 602 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r31 s PHE 603 N 0.00 3.63 -0.15 1.61 0.40 -0.35 -4.63 117.98 118.49 1r31 s PHE 603 Ca 0.00 0.67 -0.02 0.00 -0.60 0.00 0.00 56.93 56.98 1r31 s PHE 603 Cb 0.00 -2.05 -0.02 0.00 0.51 0.00 0.00 43.02 41.47 1r31 s PHE 603 CO 0.00 0.68 -0.10 0.99 0.70 0.00 0.00 175.22 177.49 1r31 s THR 604 N -1.12 3.28 0.24 0.64 2.01 -1.03 -0.57 115.64 119.09 1r31 s THR 604 Ca 0.21 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 61.67 1r31 s THR 604 Cb -0.14 -2.41 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 1r31 s THR 604 CO 0.10 0.50 0.02 0.42 -0.69 0.00 0.00 174.62 174.97 1r31 s THR 605 N 0.56 0.96 0.22 -0.82 -4.23 -1.26 -0.93 115.64 110.14 1r31 s THR 605 Ca -0.06 -2.02 -0.23 0.00 -1.18 0.00 0.00 61.69 58.20 1r31 s THR 605 Cb -0.15 -2.42 0.04 0.00 1.34 0.00 0.00 72.50 71.31 1r31 s THR 605 CO 0.03 -0.25 0.84 -0.94 -0.54 0.00 0.00 174.62 173.76 1r31 s SER 606 N -3.32 -0.21 0.07 3.99 1.04 -0.67 -4.98 113.70 109.63 1r31 s SER 606 Ca 0.30 -0.52 -0.26 0.00 0.48 0.00 0.00 55.95 55.95 1r31 s SER 606 Cb 0.06 0.61 0.09 0.00 0.10 0.00 0.00 66.02 66.88 1r31 s SER 606 CO 0.10 -1.13 0.77 -0.94 0.98 0.00 0.00 173.24 173.01 1r31 s SER 607 N -2.94 -0.45 0.85 7.02 1.04 -1.26 -0.44 113.70 117.51 1r31 s SER 607 Ca 0.12 -0.02 -0.07 0.00 0.48 0.00 0.00 55.95 56.47 1r31 s SER 607 Cb -0.04 0.48 0.18 0.00 0.10 0.00 0.00 66.02 66.74 1r31 s SER 607 CO 0.05 -0.78 1.16 -0.94 0.98 0.00 0.00 173.24 173.70 1r31 s SER 608 N -2.61 3.64 0.80 7.02 1.04 -0.52 -5.01 113.70 118.06 1r31 s SER 608 Ca 0.03 -0.25 -0.11 0.00 0.48 0.00 0.00 55.95 56.11 1r31 s SER 608 Cb -0.01 0.11 0.08 0.00 0.10 0.00 0.00 66.02 66.29 1r31 s SER 608 CO -0.10 -2.36 1.12 0.00 0.98 0.00 0.00 173.24 172.88 1r31 s ALA 609 N -3.49 2.04 -1.35 5.32 0.00 -1.26 -4.81 121.76 118.21 1r31 s ALA 609 Ca 0.71 0.43 -0.15 0.00 0.00 0.00 0.00 51.96 52.95 1r31 s ALA 609 Cb -0.03 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.75 1r31 s ALA 609 CO 0.49 -2.02 2.19 -0.35 0.00 0.00 0.00 175.76 176.07 1r31 n PRO 610 N -3.57 2.64 -3.41 0.00 -0.04 -1.26 -4.54 135.00 124.82 1r31 n PRO 610 Ca 0.10 -2.47 -0.37 0.00 -0.04 0.00 0.00 63.50 60.72 1r31 n PRO 610 Cb 0.52 -3.22 -0.07 0.00 -0.04 0.00 0.00 33.50 30.70 1r31 n PRO 610 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1r31 s LEU 611 N 2.00 4.24 0.12 1.53 1.43 -1.26 -1.46 118.68 125.28 1r31 s LEU 611 Ca 0.49 0.64 0.09 0.00 -1.03 0.00 0.00 54.13 54.32 1r31 s LEU 611 Cb 0.14 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 1r31 s LEU 611 CO -0.06 0.03 -0.23 -0.04 0.23 0.00 0.00 176.35 176.28 1r31 s MET 612 N 0.68 1.24 -0.02 1.70 -1.94 0.19 -3.50 119.30 117.66 1r31 s MET 612 Ca 0.21 -1.25 -0.15 0.00 -1.71 0.00 0.00 55.69 52.79 1r31 s MET 612 Cb -0.14 -1.59 -0.06 0.00 2.01 0.00 0.00 34.83 35.06 1r31 s MET 612 CO 0.07 0.37 0.40 -1.01 -0.01 0.00 0.00 175.02 174.84 1r31 s HIS 613 N -1.18 3.70 -0.22 -0.03 0.09 -1.26 -1.08 115.29 115.31 1r31 s HIS 613 Ca 0.10 0.96 0.02 0.00 -0.00 0.00 0.00 55.06 56.14 1r31 s HIS 613 Cb -0.10 -2.30 0.04 0.00 -0.00 0.00 0.00 32.58 30.23 1r31 s HIS 613 CO 0.05 0.60 -0.13 0.00 -0.00 0.00 0.00 174.74 175.26 1r31 s ALA 614 N -0.92 2.32 0.09 -1.40 0.00 -0.46 -2.19 121.76 119.20 1r31 s ALA 614 Ca 0.23 -1.44 -0.19 0.00 0.00 0.00 0.00 51.96 50.57 1r31 s ALA 614 Cb -0.16 -1.38 -0.07 0.00 0.00 0.00 0.00 23.12 21.51 1r31 s ALA 614 CO 0.13 -0.84 0.58 -0.65 0.00 0.00 0.00 175.76 174.97 1r31 s GLN 615 N 1.25 4.18 -0.26 0.00 -0.21 0.54 -0.88 119.66 124.27 1r31 s GLN 615 Ca -0.03 0.71 -0.02 0.00 0.02 0.00 0.00 55.36 56.05 1r31 s GLN 615 Cb -0.17 -3.17 0.08 0.00 1.00 0.00 0.00 33.01 30.75 1r31 s GLN 615 CO -0.08 0.60 0.06 0.08 -2.12 0.00 0.00 175.29 173.83 1r31 s VAL 616 N -1.19 0.77 -0.01 1.09 1.01 -0.21 -1.47 120.40 120.39 1r31 s VAL 616 Ca 0.31 -1.04 -0.24 0.00 0.00 0.00 0.00 61.98 61.01 1r31 s VAL 616 Cb -0.19 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 1r31 s VAL 616 CO 0.19 -0.45 0.72 -1.58 0.00 0.00 0.00 175.10 173.98 1r31 s GLN 617 N 1.71 4.44 0.08 2.72 0.74 0.16 -1.66 119.66 127.86 1r31 s GLN 617 Ca 0.04 0.95 0.10 0.00 0.05 0.00 0.00 55.36 56.50 1r31 s GLN 617 Cb -0.17 -3.39 -0.03 0.00 1.10 0.00 0.00 33.01 30.51 1r31 s GLN 617 CO -0.18 0.21 -0.26 0.42 -0.55 0.00 0.00 175.29 174.93 1r31 s ILE 618 N 0.26 2.21 0.00 -2.34 1.01 0.65 0.01 121.20 123.01 1r31 s ILE 618 Ca 0.37 -1.55 0.00 0.00 0.00 0.00 0.00 60.65 59.47 1r31 s ILE 618 Cb -0.19 -1.92 0.00 0.00 0.01 0.00 0.00 42.46 40.36 1r31 s ILE 618 CO 0.20 0.24 0.00 1.33 0.00 0.00 0.00 174.94 176.71 1r31 n VAL 619 N 1.38 0.00 -2.32 2.92 0.24 -0.54 -2.40 118.33 117.62 1r31 n VAL 619 Ca -0.17 -0.01 -0.28 0.00 -2.04 0.00 0.00 64.34 61.84 1r31 n VAL 619 Cb 0.52 1.03 0.01 0.00 -1.47 0.00 0.00 33.84 33.94 1r31 n VAL 619 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1r31 n GLY 620 N 0.02 6.04 3.62 7.63 0.00 -1.26 -4.86 105.19 116.39 1r31 n GLY 620 Ca 0.00 -2.72 -0.39 0.00 0.00 0.00 0.00 46.02 42.91 1r31 n GLY 620 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r31 s ILE 621 N -5.30 5.13 -0.18 -0.61 1.01 -1.26 -4.77 121.20 115.22 1r31 s ILE 621 Ca 0.49 0.74 0.29 0.00 0.00 0.00 0.00 60.65 62.17 1r31 s ILE 621 Cb 0.41 -3.77 0.36 0.00 0.01 0.00 0.00 42.46 39.47 1r31 s ILE 621 CO -0.16 0.14 1.83 1.56 0.00 0.00 0.00 174.94 178.31 1r31 h GLN 622 N 7.99 0.00 -2.08 2.79 4.20 -1.94 -3.33 115.11 122.74 1r31 h GLN 622 Ca -0.31 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 57.87 1r31 h GLN 622 Cb 1.15 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.53 1r31 h GLN 622 CO 0.69 0.00 -1.01 -0.40 -0.67 0.00 0.00 178.83 177.43 1r31 n ASP 623 N -2.95 1.71 -0.29 1.46 5.75 -1.26 -4.97 116.55 116.00 1r31 n ASP 623 Ca 0.02 -3.12 0.11 0.00 -0.01 0.00 0.00 54.79 51.79 1r31 n ASP 623 Cb 0.37 -0.62 0.34 0.00 -1.03 0.00 0.00 41.12 40.19 1r31 n ASP 623 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1r31 h PRO 624 N 3.31 0.75 -0.58 0.11 0.13 -1.96 0.10 132.00 133.87 1r31 h PRO 624 Ca 0.11 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 65.09 1r31 h PRO 624 Cb 0.83 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.77 1r31 h PRO 624 CO 0.59 0.49 -0.06 -0.07 -0.23 0.00 0.00 178.00 178.72 1r31 h LEU 625 N 0.77 1.05 -0.19 1.56 3.38 -1.95 -1.12 115.31 118.81 1r31 h LEU 625 Ca 0.45 -0.33 -0.17 0.00 0.09 0.00 0.00 57.88 57.92 1r31 h LEU 625 Cb 0.64 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1r31 h LEU 625 CO -0.22 1.13 -0.56 -1.13 0.09 0.00 0.00 178.44 177.75 1r31 h ASN 626 N 0.95 0.83 -0.67 -0.43 -1.24 -1.82 -3.09 115.58 110.11 1r31 h ASN 626 Ca 0.16 -0.59 0.05 0.00 0.71 0.00 0.00 56.30 56.63 1r31 h ASN 626 Cb 0.63 -0.24 -0.04 0.00 0.73 0.00 0.00 38.32 39.40 1r31 h ASN 626 CO 0.04 1.27 0.44 0.00 -1.29 0.00 0.00 177.43 177.89 1r31 h ALA 627 N 0.58 1.71 -0.75 1.57 0.00 -0.81 -1.84 119.26 119.72 1r31 h ALA 627 Ca -0.02 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1r31 h ALA 627 Cb 1.18 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1r31 h ALA 627 CO 0.12 0.19 0.50 -0.09 0.00 0.00 0.00 179.25 179.97 1r31 h ARG 628 N 0.72 0.99 0.00 0.00 2.43 -1.12 -1.77 114.38 115.63 1r31 h ARG 628 Ca 0.28 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.29 1r31 h ARG 628 Cb 0.20 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1r31 h ARG 628 CO -0.09 0.65 -0.48 -0.07 -1.51 0.00 0.00 179.97 178.48 1r31 h LEU 629 N 1.02 0.00 -0.77 3.80 3.38 -1.38 -1.71 115.31 119.65 1r31 h LEU 629 Ca 0.28 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.19 1r31 h LEU 629 Cb -0.12 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1r31 h LEU 629 CO -0.06 0.48 0.26 0.28 0.09 0.00 0.00 178.44 179.49 1r31 h SER 630 N 0.00 1.10 -0.16 -0.43 0.02 -0.91 -0.70 113.55 112.47 1r31 h SER 630 Ca -0.00 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.71 1r31 h SER 630 Cb 0.87 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 63.12 1r31 h SER 630 CO 0.06 1.00 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.61 1r31 h LEU 631 N 1.13 0.34 -1.58 5.07 3.38 -1.02 -2.94 115.31 119.70 1r31 h LEU 631 Ca 0.25 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1r31 h LEU 631 Cb 0.28 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1r31 h LEU 631 CO -0.01 0.67 -0.04 -0.07 0.09 0.00 0.00 178.44 179.07 1r31 h LEU 632 N 0.01 0.20 -1.03 1.67 3.38 -1.22 -1.44 115.31 116.87 1r31 h LEU 632 Ca 0.04 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1r31 h LEU 632 Cb 0.53 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1r31 h LEU 632 CO 0.02 0.28 0.33 -0.09 0.09 0.00 0.00 178.44 179.07 1r31 h ARG 633 N 0.21 1.02 -0.66 1.13 9.65 -1.03 -3.01 114.38 121.69 1r31 h ARG 633 Ca 0.05 -0.14 -0.38 0.00 -1.10 0.00 0.00 59.98 58.40 1r31 h ARG 633 Cb 0.22 -0.19 -0.22 0.00 -1.39 0.00 0.00 29.97 28.39 1r31 h ARG 633 CO 0.01 0.79 0.18 0.54 2.80 0.00 0.00 179.97 184.29 1r31 n ARG 634 N -4.32 2.25 -0.18 0.20 1.74 -0.61 -4.76 116.66 110.97 1r31 n ARG 634 Ca 0.07 -3.26 -0.08 0.00 -0.77 0.00 0.00 57.85 53.80 1r31 n ARG 634 Cb 0.14 -2.03 0.02 0.00 -1.02 0.00 0.00 32.46 29.57 1r31 n ARG 634 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1r31 h LYS 635 N 1.27 0.76 -0.83 5.56 2.10 -1.23 -2.03 116.57 122.16 1r31 h LYS 635 Ca 0.41 -0.12 0.04 0.00 -2.00 0.00 0.00 60.65 58.97 1r31 h LYS 635 Cb 1.85 -0.13 -0.05 0.00 -0.90 0.00 0.00 32.23 33.00 1r31 h LYS 635 CO 0.80 0.64 0.55 -0.44 -2.00 0.00 0.00 179.45 179.00 1r31 h ASP 636 N 0.69 0.88 -0.32 7.07 3.45 -1.86 0.45 116.42 126.77 1r31 h ASP 636 Ca 0.18 -0.01 -0.04 0.00 0.43 0.00 0.00 57.03 57.59 1r31 h ASP 636 Cb 0.15 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.71 1r31 h ASP 636 CO -0.02 0.60 0.05 -0.08 -1.57 0.00 0.00 179.24 178.22 1r31 h GLU 637 N 1.01 0.54 -0.36 3.56 4.81 -1.86 -1.11 114.58 121.17 1r31 h GLU 637 Ca 0.34 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 1r31 h GLU 637 Cb 0.06 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1r31 h GLU 637 CO -0.10 0.62 0.11 0.82 -0.73 0.00 0.00 179.01 179.73 1r31 h ILE 638 N 0.37 1.21 -0.59 2.32 2.04 -0.55 -2.25 117.51 120.05 1r31 h ILE 638 Ca 0.10 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 1r31 h ILE 638 Cb 0.34 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1r31 h ILE 638 CO 0.01 0.24 0.36 0.40 0.00 0.00 0.00 178.15 179.15 1r31 h ILE 639 N 0.44 1.17 -0.13 -0.67 2.04 -0.00 -1.81 117.51 118.54 1r31 h ILE 639 Ca 0.12 -0.37 -0.16 0.00 1.00 0.00 0.00 64.86 65.45 1r31 h ILE 639 Cb 0.25 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1r31 h ILE 639 CO -0.00 0.17 -0.59 -0.33 0.00 0.00 0.00 178.15 177.40 1r31 h GLU 640 N 0.81 0.43 -0.45 2.37 5.08 -0.98 -2.43 114.58 119.41 1r31 h GLU 640 Ca 0.21 -0.29 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 1r31 h GLU 640 Cb -0.03 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1r31 h GLU 640 CO -0.04 0.90 -0.18 1.25 -1.00 0.00 0.00 179.01 179.94 1r31 h LEU 641 N 0.33 0.89 -0.80 1.33 5.85 -0.83 -1.38 115.31 120.70 1r31 h LEU 641 Ca -0.00 -0.31 -0.11 0.00 0.84 0.00 0.00 57.88 58.29 1r31 h LEU 641 Cb 1.12 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1r31 h LEU 641 CO 0.10 1.06 -0.29 0.00 -0.34 0.00 0.00 178.44 178.97 1r31 h ALA 642 N 1.01 0.98 0.13 1.25 0.00 -1.25 -3.03 119.26 118.34 1r31 h ALA 642 Ca 0.11 -0.38 -0.21 0.00 0.00 0.00 0.00 54.91 54.44 1r31 h ALA 642 Cb 0.72 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.40 1r31 h ALA 642 CO 0.05 0.60 -0.88 -0.91 0.00 0.00 0.00 179.25 178.11 1r31 h ASN 643 N 0.49 0.56 0.27 0.00 2.35 -1.28 -3.17 115.58 114.81 1r31 h ASN 643 Ca 0.06 -0.90 0.00 0.00 -0.55 0.00 0.00 56.30 54.91 1r31 h ASN 643 Cb 0.75 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1r31 h ASN 643 CO 0.06 1.41 0.00 0.08 -1.65 0.00 0.00 177.43 177.33 1r31 h ARG 644 N -0.21 0.00 -0.40 0.81 0.11 -1.33 -0.18 114.38 113.18 1r31 h ARG 644 Ca -0.15 0.00 0.02 0.00 0.10 0.00 0.00 59.98 59.95 1r31 h ARG 644 Cb 1.66 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.71 1r31 h ARG 644 CO 0.17 0.00 0.23 -0.22 0.10 0.00 0.00 179.97 180.24 1r31 h LYS 645 N 0.00 0.45 -3.85 0.08 1.63 -1.50 -3.36 116.57 110.02 1r31 h LYS 645 Ca 0.00 -0.03 -0.62 0.00 -0.85 0.00 0.00 60.65 59.16 1r31 h LYS 645 Cb 0.14 -0.10 -0.40 0.00 -0.60 0.00 0.00 32.23 31.27 1r31 h LYS 645 CO 0.00 0.30 -0.73 0.34 -3.45 0.00 0.00 179.45 175.90 1r31 s ASP 646 N -5.49 4.24 0.13 4.20 -1.08 -0.08 -4.99 116.67 113.60 1r31 s ASP 646 Ca -0.13 -2.02 0.02 0.00 -0.52 0.00 0.00 52.55 49.90 1r31 s ASP 646 Cb 0.11 -1.18 -0.14 0.00 -1.46 0.00 0.00 42.92 40.25 1r31 s ASP 646 CO 0.72 -0.37 1.29 1.56 0.52 0.00 0.00 175.17 178.88 1r31 h GLN 647 N 7.66 0.14 -0.56 4.34 1.08 -1.72 -3.33 115.11 122.72 1r31 h GLN 647 Ca -0.08 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 56.89 1r31 h GLN 647 Cb 1.00 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.47 1r31 h GLN 647 CO 0.50 1.03 0.26 1.25 -0.95 0.00 0.00 178.83 180.92 1r31 h LEU 648 N 0.06 0.75 -0.45 1.46 5.85 -1.94 -2.65 115.31 118.39 1r31 h LEU 648 Ca -0.06 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.56 1r31 h LEU 648 Cb 1.71 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.51 1r31 h LEU 648 CO 0.15 0.69 0.23 0.25 -0.34 0.00 0.00 178.44 179.41 1r31 h LEU 649 N 0.77 0.33 -1.75 2.25 5.85 -1.95 -1.89 115.31 118.90 1r31 h LEU 649 Ca 0.19 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1r31 h LEU 649 Cb 0.15 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1r31 h LEU 649 CO -0.02 0.23 0.12 0.78 -0.34 0.00 0.00 178.44 179.21 1r31 h ASN 650 N 0.45 0.24 1.38 1.25 4.21 -1.63 -0.20 115.58 121.29 1r31 h ASN 650 Ca 0.20 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.70 1r31 h ASN 650 Cb 0.10 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.24 1r31 h ASN 650 CO -0.14 0.20 0.00 0.77 -1.29 0.00 0.00 177.43 176.97 1r31 h SER 651 N 0.29 0.00 0.25 5.81 4.64 -1.01 -2.82 113.55 120.71 1r31 h SER 651 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1r31 h SER 651 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1r31 h SER 651 CO -0.01 0.00 -0.26 0.18 -0.87 0.00 0.00 176.83 175.87 1r31 n LEU 652 N -2.94 0.97 0.00 5.97 4.77 -0.13 -4.93 117.00 120.72 1r31 n LEU 652 Ca 0.02 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1r31 n LEU 652 Cb 0.39 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1r31 n LEU 652 CO 0.29 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1r31 n GLY 653 N 1.34 1.14 0.00 -0.72 0.00 -1.07 -5.06 105.19 100.83 1r31 n GLY 653 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1r31 n GLY 653 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r31 n GLY 654 N -1.45 4.93 0.00 -0.02 0.00 -0.96 -4.96 105.19 102.73 1r31 n GLY 654 Ca 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1r31 n GLY 654 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r31 n GLY 655 N 5.00 2.34 3.68 -0.02 0.00 -0.31 -4.18 105.19 111.71 1r31 n GLY 655 Ca 0.00 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 1r31 n GLY 655 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r31 n ARG 657 N 6.03 0.79 -3.95 0.00 5.12 0.57 -4.95 116.66 120.27 1r31 n ARG 657 Ca 0.17 -0.11 0.01 0.00 -1.93 0.00 0.00 57.85 56.00 1r31 n ARG 657 Cb 0.40 -1.46 0.01 0.00 -1.16 0.00 0.00 32.46 30.25 1r31 n ARG 657 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1r31 s ASP 658 N -4.63 0.00 -0.01 0.55 2.15 -1.20 -5.02 116.67 108.52 1r31 s ASP 658 Ca -0.08 -0.33 -0.05 0.00 0.43 0.00 0.00 52.55 52.52 1r31 s ASP 658 Cb 0.09 0.24 0.00 0.00 -0.30 0.00 0.00 42.92 42.96 1r31 s ASP 658 CO 0.77 -0.48 0.11 0.27 -0.17 0.00 0.00 175.17 175.67 1r31 s ILE 659 N -2.07 0.06 0.19 4.11 -4.36 -1.26 -0.79 121.20 117.07 1r31 s ILE 659 Ca 0.27 -0.49 0.09 0.00 -0.26 0.00 0.00 60.65 60.25 1r31 s ILE 659 Cb -0.01 -0.32 -0.04 0.00 1.25 0.00 0.00 42.46 43.33 1r31 s ILE 659 CO 0.01 -0.27 -0.17 -1.61 0.24 0.00 0.00 174.94 173.14 1r31 s GLU 660 N -0.91 1.34 -0.04 0.37 2.02 -0.12 -4.96 118.70 116.41 1r31 s GLU 660 Ca -0.10 -1.51 0.01 0.00 0.02 0.00 0.00 54.97 53.39 1r31 s GLU 660 Cb -0.06 -1.32 0.02 0.00 0.10 0.00 0.00 34.13 32.88 1r31 s GLU 660 CO 0.01 0.25 -0.02 0.08 0.02 0.00 0.00 175.26 175.59 1r31 s VAL 661 N -2.39 0.36 0.16 2.63 1.01 -1.26 0.13 120.40 121.04 1r31 s VAL 661 Ca 0.19 -0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.24 1r31 s VAL 661 Cb -0.04 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 1r31 s VAL 661 CO 0.08 0.18 -0.19 -1.00 0.00 0.00 0.00 175.10 174.16 1r31 s HIS 662 N 0.91 1.89 0.05 5.22 3.76 0.63 -4.98 115.29 122.77 1r31 s HIS 662 Ca -0.11 -0.45 0.05 0.00 -0.15 0.00 0.00 55.06 54.41 1r31 s HIS 662 Cb -0.14 -0.95 -0.03 0.00 1.11 0.00 0.00 32.58 32.58 1r31 s HIS 662 CO -0.01 0.35 -0.15 0.95 -0.85 0.00 0.00 174.74 175.03 1r31 s THR 663 N -1.91 1.16 -0.50 1.30 -4.23 -1.26 0.30 115.64 110.50 1r31 s THR 663 Ca 0.16 -1.15 0.04 0.00 -1.18 0.00 0.00 61.69 59.56 1r31 s THR 663 Cb -0.06 -1.08 0.17 0.00 1.34 0.00 0.00 72.50 72.87 1r31 s THR 663 CO 0.07 -0.08 0.38 -0.36 -0.54 0.00 0.00 174.62 174.09 1r31 s PHE 664 N -1.03 1.87 -0.71 3.99 0.40 0.12 -4.96 117.98 117.66 1r31 s PHE 664 Ca 0.01 -2.62 0.20 0.00 -0.60 0.00 0.00 56.93 53.92 1r31 s PHE 664 Cb -0.09 -1.50 0.84 0.00 0.51 0.00 0.00 43.02 42.77 1r31 s PHE 664 CO 0.02 -0.74 1.62 0.00 0.70 0.00 0.00 175.22 176.82 1r31 n ALA 665 N 2.64 1.70 -3.92 5.36 0.00 -1.26 -0.45 120.51 124.59 1r31 n ALA 665 Ca 0.25 0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.41 1r31 n ALA 665 Cb 0.43 -1.33 -0.14 0.00 0.00 0.00 0.00 19.45 18.41 1r31 n ALA 665 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1r31 s ASP 666 N -3.72 4.26 0.07 0.00 -1.08 -1.26 -3.51 116.67 111.43 1r31 s ASP 666 Ca 0.06 -2.85 0.01 0.00 -0.52 0.00 0.00 52.55 49.25 1r31 s ASP 666 Cb 0.10 -1.54 -0.04 0.00 -1.46 0.00 0.00 42.92 39.98 1r31 s ASP 666 CO 0.35 -0.25 -0.05 0.42 0.52 0.00 0.00 175.17 176.15 1r31 s THR 667 N -0.04 0.48 0.38 1.71 -4.23 -1.11 -4.99 115.64 107.83 1r31 s THR 667 Ca 0.16 -1.69 0.38 0.00 -1.18 0.00 0.00 61.69 59.37 1r31 s THR 667 Cb -0.25 -1.36 0.39 0.00 1.34 0.00 0.00 72.50 72.62 1r31 s THR 667 CO -0.01 -0.81 2.17 1.55 -0.54 0.00 0.00 174.62 176.97 1r31 h PRO 668 N 3.39 0.00 -0.68 3.99 0.13 -1.98 0.48 132.00 137.32 1r31 h PRO 668 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1r31 h PRO 668 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1r31 h PRO 668 CO 0.60 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.91 1r31 n ARG 669 N -2.90 2.80 0.00 0.86 5.12 -1.26 -5.08 116.66 116.20 1r31 n ARG 669 Ca -0.02 -2.60 0.00 0.00 -1.93 0.00 0.00 57.85 53.30 1r31 n ARG 669 Cb 0.10 -1.55 0.00 0.00 -1.16 0.00 0.00 32.46 29.86 1r31 n ARG 669 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1r31 n GLY 670 N 1.48 -1.94 3.72 -0.13 0.00 0.17 -4.96 105.19 103.53 1r31 n GLY 670 Ca 0.23 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 1r31 n GLY 670 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1r31 s PRO 671 N -0.31 4.51 0.06 1.61 0.02 -1.23 -2.77 135.00 136.89 1r31 s PRO 671 Ca 0.00 1.73 0.07 0.00 0.02 0.00 0.00 61.00 62.82 1r31 s PRO 671 Cb 0.00 -3.32 -0.03 0.00 0.02 0.00 0.00 34.50 31.17 1r31 s PRO 671 CO 0.00 -0.09 -0.21 -1.64 -0.33 0.00 0.00 177.00 174.73 1r31 s MET 672 N 0.38 1.32 -0.09 5.54 -1.94 0.40 -4.65 119.30 120.26 1r31 s MET 672 Ca 0.54 -0.98 0.03 0.00 -1.71 0.00 0.00 55.69 53.57 1r31 s MET 672 Cb -0.29 -1.46 -0.01 0.00 2.01 0.00 0.00 34.83 35.08 1r31 s MET 672 CO 0.32 0.37 -0.20 -1.17 -0.01 0.00 0.00 175.02 174.33 1r31 s LEU 673 N -1.33 2.36 -0.20 -0.03 0.20 -1.01 -0.70 118.68 117.98 1r31 s LEU 673 Ca 0.07 -0.43 0.00 0.00 0.69 0.00 0.00 54.13 54.46 1r31 s LEU 673 Cb -0.09 -1.48 0.05 0.00 -0.43 0.00 0.00 46.19 44.23 1r31 s LEU 673 CO 0.02 0.20 -0.06 -0.69 -0.29 0.00 0.00 176.35 175.53 1r31 s VAL 674 N 0.11 1.33 0.09 1.68 1.01 0.15 -0.25 120.40 124.51 1r31 s VAL 674 Ca -0.10 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 60.86 1r31 s VAL 674 Cb -0.16 -1.53 -0.06 0.00 0.00 0.00 0.00 36.38 34.64 1r31 s VAL 674 CO 0.06 0.05 0.47 0.00 0.00 0.00 0.00 175.10 175.68 1r31 s ALA 675 N 1.52 3.66 -0.17 5.51 0.00 -0.66 -0.27 121.76 131.34 1r31 s ALA 675 Ca -0.02 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.73 1r31 s ALA 675 Cb -0.17 -2.42 0.02 0.00 0.00 0.00 0.00 23.12 20.55 1r31 s ALA 675 CO -0.07 0.49 -0.20 -1.01 0.00 0.00 0.00 175.76 174.97 1r31 s HIS 676 N -1.33 2.70 -0.08 0.00 3.76 0.12 -1.04 115.29 119.42 1r31 s HIS 676 Ca 0.32 -1.55 -0.18 0.00 -0.15 0.00 0.00 55.06 53.51 1r31 s HIS 676 Cb -0.15 -1.87 -0.05 0.00 1.11 0.00 0.00 32.58 31.62 1r31 s HIS 676 CO 0.17 -0.76 0.47 -0.51 -0.85 0.00 0.00 174.74 173.27 1r31 s LEU 677 N 1.22 4.33 -0.35 0.89 1.43 -0.06 -0.94 118.68 125.20 1r31 s LEU 677 Ca 0.03 0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 53.88 1r31 s LEU 677 Cb -0.13 -2.69 -0.00 0.00 0.03 0.00 0.00 46.19 43.39 1r31 s LEU 677 CO -0.11 0.08 0.23 -0.63 0.23 0.00 0.00 176.35 176.15 1r31 s ILE 678 N 0.19 5.04 -0.09 -0.59 -1.09 0.03 -1.36 121.20 123.32 1r31 s ILE 678 Ca 0.26 -0.43 0.03 0.00 -2.23 0.00 0.00 60.65 58.28 1r31 s ILE 678 Cb -0.16 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.07 1r31 s ILE 678 CO 0.12 -0.08 -0.21 -0.69 -1.23 0.00 0.00 174.94 172.85 1r31 s VAL 679 N 1.67 1.79 -0.41 2.92 1.01 -0.24 -0.32 120.40 126.82 1r31 s VAL 679 Ca 0.05 -0.86 -0.26 0.00 0.00 0.00 0.00 61.98 60.90 1r31 s VAL 679 Cb -0.18 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.65 1r31 s VAL 679 CO 0.09 0.50 0.97 -0.62 0.00 0.00 0.00 175.10 176.04 1r31 s ASP 680 N 0.46 6.63 0.00 3.32 -1.08 -0.77 -0.64 116.67 124.59 1r31 s ASP 680 Ca -0.17 0.45 0.23 0.00 -0.52 0.00 0.00 52.55 52.54 1r31 s ASP 680 Cb -0.17 -2.48 0.41 0.00 -1.46 0.00 0.00 42.92 39.21 1r31 s ASP 680 CO 0.07 -0.99 1.39 1.33 0.52 0.00 0.00 175.17 177.49 1r31 n VAL 681 N 6.26 0.38 -4.73 1.11 0.24 -0.54 -1.16 118.33 119.89 1r31 n VAL 681 Ca 0.08 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 1r31 n VAL 681 Cb 0.48 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.90 1r31 n VAL 681 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1r31 n ARG 682 N 1.40 0.00 0.00 7.34 5.12 -1.26 -2.53 116.66 126.72 1r31 n ARG 682 Ca 0.18 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.10 1r31 n ARG 682 Cb 0.59 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.89 1r31 n ARG 682 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1r31 n ASP 683 N 1.38 0.02 -4.97 0.55 8.00 -1.26 -4.74 116.55 115.52 1r31 n ASP 683 Ca 0.00 -1.60 -0.21 0.00 0.71 0.00 0.00 54.79 53.69 1r31 n ASP 683 Cb 0.00 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 1r31 n ASP 683 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r31 s ALA 684 N -1.98 4.00 0.10 2.24 0.00 -1.05 -0.20 121.76 124.87 1r31 s ALA 684 Ca 0.00 -1.25 -0.18 0.00 0.00 0.00 0.00 51.96 50.53 1r31 s ALA 684 Cb 0.00 -1.84 -0.05 0.00 0.00 0.00 0.00 23.12 21.23 1r31 s ALA 684 CO 0.00 -0.03 1.59 1.98 0.00 0.00 0.00 175.76 179.30 1r31 h MET 685 N 0.85 0.49 0.00 0.00 4.05 -1.79 -3.41 114.93 115.13 1r31 h MET 685 Ca -0.48 -0.13 0.00 0.00 -0.28 0.00 0.00 59.70 58.81 1r31 h MET 685 Cb 1.24 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.98 1r31 h MET 685 CO 0.57 0.58 0.00 0.41 0.23 0.00 0.00 176.91 178.70 1r31 n GLY 686 N -0.51 1.77 0.00 1.39 0.00 -1.26 -4.65 105.19 101.93 1r31 n GLY 686 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1r31 n GLY 686 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r31 n ALA 687 N 0.00 -0.10 -0.30 4.61 0.00 -1.26 -1.11 120.51 122.34 1r31 n ALA 687 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1r31 n ALA 687 Cb 0.00 0.39 0.09 0.00 0.00 0.00 0.00 19.45 19.93 1r31 n ALA 687 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1r31 h ASN 688 N 0.00 0.93 0.01 0.00 4.21 -1.98 0.35 115.58 119.10 1r31 h ASN 688 Ca 0.00 -0.02 0.02 0.00 1.21 0.00 0.00 56.30 57.51 1r31 h ASN 688 Cb 0.00 -0.22 -0.03 0.00 -1.12 0.00 0.00 38.32 36.95 1r31 h ASN 688 CO 0.00 0.66 -0.14 0.74 -1.29 0.00 0.00 177.43 177.41 1r31 h THR 689 N 1.10 0.66 -0.37 2.81 2.02 -1.96 -1.72 112.91 115.45 1r31 h THR 689 Ca 0.31 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.40 1r31 h THR 689 Cb -0.08 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1r31 h THR 689 CO -0.08 0.00 -0.14 0.58 0.37 0.00 0.00 175.52 176.25 1r31 h VAL 690 N -0.24 1.28 0.00 3.16 2.07 -0.91 -2.94 116.25 118.68 1r31 h VAL 690 Ca 0.04 -1.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.30 1r31 h VAL 690 Cb 0.29 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1r31 h VAL 690 CO -0.13 0.41 -0.14 0.78 0.02 0.00 0.00 177.57 178.52 1r31 h ASN 691 N 0.54 0.00 0.09 0.57 2.35 -0.83 -2.34 115.58 115.96 1r31 h ASN 691 Ca 0.09 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.59 1r31 h ASN 691 Cb 0.67 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.05 1r31 h ASN 691 CO 0.05 0.14 -0.99 0.74 -1.65 0.00 0.00 177.43 175.72 1r31 h THR 692 N 0.00 1.31 -0.19 2.81 2.02 -1.18 -2.74 112.91 114.94 1r31 h THR 692 Ca -0.00 -2.28 -0.19 0.00 0.77 0.00 0.00 66.41 64.71 1r31 h THR 692 Cb 0.31 2.35 0.00 0.00 -1.74 0.00 0.00 68.15 69.07 1r31 h THR 692 CO 0.02 0.70 -0.66 0.24 0.37 0.00 0.00 175.52 176.19 1r31 h MET 693 N 0.36 0.71 -0.74 6.66 2.86 -1.33 -2.37 114.93 121.07 1r31 h MET 693 Ca -0.11 -0.52 -0.01 0.00 -2.06 0.00 0.00 59.70 57.00 1r31 h MET 693 Cb 1.63 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 33.34 1r31 h MET 693 CO 0.19 1.14 0.40 0.00 1.06 0.00 0.00 176.91 179.70 1r31 h ALA 694 N 0.74 1.32 0.00 6.32 0.00 -1.44 -1.22 119.26 124.98 1r31 h ALA 694 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1r31 h ALA 694 Cb 1.26 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1r31 h ALA 694 CO 0.13 0.56 -0.27 0.39 0.00 0.00 0.00 179.25 180.06 1r31 n GLU 695 N -4.36 0.20 0.09 0.00 1.02 -1.04 -2.17 120.64 114.39 1r31 n GLU 695 Ca 0.07 0.11 0.02 0.00 -0.02 0.00 0.00 57.16 57.35 1r31 n GLU 695 Cb 0.10 -1.68 -0.03 0.00 -0.02 0.00 0.00 31.44 29.81 1r31 n GLU 695 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1r31 h ALA 696 N 2.65 0.65 0.00 0.62 0.00 -0.71 -3.33 119.26 119.13 1r31 h ALA 696 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1r31 h ALA 696 Cb 0.68 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1r31 h ALA 696 CO 0.00 0.71 -0.99 0.28 0.00 0.00 0.00 179.25 179.25 1r31 n VAL 697 N -3.02 0.48 -0.23 0.00 0.31 -0.58 -4.43 118.33 110.86 1r31 n VAL 697 Ca -0.04 -0.45 0.03 0.00 -0.01 0.00 0.00 64.34 63.86 1r31 n VAL 697 Cb 0.77 -0.21 0.12 0.00 -0.91 0.00 0.00 33.84 33.61 1r31 n VAL 697 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1r31 h ALA 698 N 2.17 0.66 -0.09 3.52 0.00 -1.55 -2.00 119.26 121.98 1r31 h ALA 698 Ca 0.00 0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1r31 h ALA 698 Cb 0.92 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1r31 h ALA 698 CO 0.00 -0.41 -0.06 -1.35 0.00 0.00 0.00 179.25 177.44 1r31 h PRO 699 N 0.10 -0.05 -0.91 0.00 0.11 -1.83 -1.70 132.00 127.71 1r31 h PRO 699 Ca 0.36 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.49 1r31 h PRO 699 Cb 0.60 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.67 1r31 h PRO 699 CO -0.60 -0.04 0.60 1.25 -0.21 0.00 0.00 178.00 179.01 1r31 h LEU 700 N -0.06 1.03 -0.88 2.35 5.85 -1.70 -1.79 115.31 120.10 1r31 h LEU 700 Ca 0.05 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 1r31 h LEU 700 Cb 0.14 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1r31 h LEU 700 CO -0.12 0.73 -0.08 0.24 -0.34 0.00 0.00 178.44 178.86 1r31 h MET 701 N 1.20 0.74 -0.63 1.25 2.86 -1.05 -1.44 114.93 117.87 1r31 h MET 701 Ca 0.35 -0.23 -0.06 0.00 -2.06 0.00 0.00 59.70 57.69 1r31 h MET 701 Cb -0.08 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.48 1r31 h MET 701 CO -0.09 0.81 0.14 0.93 1.06 0.00 0.00 176.91 179.76 1r31 h GLU 702 N 0.68 1.01 -0.64 1.72 5.08 -0.66 -0.52 114.58 121.25 1r31 h GLU 702 Ca 0.12 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1r31 h GLU 702 Cb 0.54 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1r31 h GLU 702 CO 0.03 0.92 0.24 0.00 -1.00 0.00 0.00 179.01 179.20 1r31 h ALA 703 N 1.05 0.83 -0.24 3.43 0.00 -0.98 0.44 119.26 123.79 1r31 h ALA 703 Ca 0.20 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1r31 h ALA 703 Cb 0.37 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1r31 h ALA 703 CO 0.00 0.47 -0.41 0.82 0.00 0.00 0.00 179.25 180.14 1r31 h ILE 704 N 0.91 1.31 0.00 0.00 2.04 -1.05 -3.35 117.51 117.36 1r31 h ILE 704 Ca 0.21 -1.61 -0.24 0.00 1.00 0.00 0.00 64.86 64.22 1r31 h ILE 704 Cb 0.24 1.75 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 1r31 h ILE 704 CO -0.01 0.51 -1.65 0.35 0.00 0.00 0.00 178.15 177.34 1r31 n THR 705 N -4.20 1.35 -0.88 -0.27 -2.24 -0.22 -4.93 114.28 102.89 1r31 n THR 705 Ca -0.05 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1r31 n THR 705 Cb 0.54 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 1r31 n THR 705 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r31 n GLY 706 N 1.49 0.69 2.42 3.38 0.00 0.15 -4.95 105.19 108.37 1r31 n GLY 706 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 1r31 n GLY 706 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r31 n GLY 707 N -2.59 1.98 3.38 -0.02 0.00 -1.25 -4.87 105.19 101.83 1r31 n GLY 707 Ca 0.00 -2.19 -0.35 0.00 0.00 0.00 0.00 46.02 43.47 1r31 n GLY 707 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1r31 s GLN 708 N -3.62 3.50 0.11 1.61 0.74 -1.26 -4.70 119.66 116.04 1r31 s GLN 708 Ca 0.37 -0.57 -0.31 0.00 0.05 0.00 0.00 55.36 54.91 1r31 s GLN 708 Cb -0.03 -3.09 -0.07 0.00 1.10 0.00 0.00 33.01 30.92 1r31 s GLN 708 CO 0.24 -0.14 1.30 0.08 -0.55 0.00 0.00 175.29 176.22 1r31 s VAL 709 N 1.37 3.56 0.00 1.34 1.01 -1.26 -1.46 120.40 124.96 1r31 s VAL 709 Ca 0.05 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1r31 s VAL 709 Cb -0.15 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1r31 s VAL 709 CO -0.00 0.11 0.00 0.54 0.00 0.00 0.00 175.10 175.75 1r31 n ARG 710 N 3.66 0.00 -3.35 2.72 5.12 0.10 -4.97 116.66 119.94 1r31 n ARG 710 Ca 0.09 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.63 1r31 n ARG 710 Cb 0.44 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.68 1r31 n ARG 710 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1r31 s LEU 711 N 0.00 4.37 -0.38 0.55 1.43 -1.25 -4.89 118.68 118.51 1r31 s LEU 711 Ca 0.00 0.93 0.03 0.00 -1.03 0.00 0.00 54.13 54.06 1r31 s LEU 711 Cb 0.00 -2.71 0.11 0.00 0.03 0.00 0.00 46.19 43.62 1r31 s LEU 711 CO 0.00 0.13 0.13 -0.13 0.23 0.00 0.00 176.35 176.70 1r31 s ARG 712 N -0.09 1.37 -0.01 1.70 0.52 -1.25 0.39 118.95 121.57 1r31 s ARG 712 Ca 0.26 -1.85 -0.29 0.00 -0.52 0.00 0.00 55.73 53.33 1r31 s ARG 712 Cb -0.16 -2.83 0.08 0.00 0.52 0.00 0.00 34.95 32.56 1r31 s ARG 712 CO 0.13 -1.01 0.74 -1.50 0.02 0.00 0.00 175.30 173.68 1r31 s ILE 713 N 0.76 0.00 1.05 1.52 1.10 -0.54 -4.89 121.20 120.21 1r31 s ILE 713 Ca 0.13 0.00 -0.12 0.00 -0.51 0.00 0.00 60.65 60.14 1r31 s ILE 713 Cb -0.21 -1.00 0.22 0.00 0.15 0.00 0.00 42.46 41.62 1r31 s ILE 713 CO -0.09 0.00 1.07 -1.48 -2.11 0.00 0.00 174.94 172.33 1r31 s LEU 714 N -1.71 1.36 -0.11 8.50 2.34 -1.26 -0.34 118.68 127.46 1r31 s LEU 714 Ca -0.04 1.32 0.02 0.00 0.06 0.00 0.00 54.13 55.48 1r31 s LEU 714 Cb -0.00 -3.41 -0.01 0.00 -0.56 0.00 0.00 46.19 42.21 1r31 s LEU 714 CO 0.01 -3.49 -0.19 -0.55 -1.06 0.00 0.00 176.35 171.06 1r31 s SER 715 N -3.13 3.51 0.00 1.48 0.15 -0.93 -4.69 113.70 110.08 1r31 s SER 715 Ca 0.66 -0.45 0.27 0.00 0.70 0.00 0.00 55.95 57.13 1r31 s SER 715 Cb -0.21 -1.50 1.26 0.00 -1.71 0.00 0.00 66.02 63.86 1r31 s SER 715 CO 0.60 0.16 1.89 0.59 1.20 0.00 0.00 173.24 177.68 1r31 n ASN 716 N 3.53 0.00 -4.09 5.45 3.02 -1.26 -4.16 115.26 117.75 1r31 n ASN 716 Ca -0.19 0.19 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 1r31 n ASN 716 Cb 0.53 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 1r31 n ASN 716 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1r31 n LEU 717 N -1.39 6.11 -3.39 3.41 7.94 -1.26 -3.60 117.00 124.82 1r31 n LEU 717 Ca 0.10 -4.51 -0.38 0.00 -1.11 0.00 0.00 56.01 50.11 1r31 n LEU 717 Cb 0.26 -1.55 -0.02 0.00 0.53 0.00 0.00 43.42 42.64 1r31 n LEU 717 CO 0.23 1.08 3.17 0.00 -1.11 0.00 0.00 177.39 180.75 1r31 n ALA 718 N 4.86 6.87 1.36 1.96 0.00 -1.26 -4.72 120.51 129.58 1r31 n ALA 718 Ca 0.40 -3.48 0.07 0.00 0.00 0.00 0.00 53.44 50.43 1r31 n ALA 718 Cb 0.39 -3.39 0.41 0.00 0.00 0.00 0.00 19.45 16.86 1r31 n ALA 718 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1r31 n ASP 719 N 4.22 0.00 -0.66 0.00 3.85 -1.26 -1.99 116.55 120.72 1r31 n ASP 719 Ca 0.70 -0.93 0.08 0.00 -0.71 0.00 0.00 54.79 53.94 1r31 n ASP 719 Cb 0.26 0.00 0.07 0.00 -1.35 0.00 0.00 41.12 40.09 1r31 n ASP 719 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1r31 n LEU 720 N -0.82 2.35 -3.52 -2.12 4.77 -1.26 -4.62 117.00 111.79 1r31 n LEU 720 Ca 0.10 -0.98 -0.27 0.00 -0.03 0.00 0.00 56.01 54.83 1r31 n LEU 720 Cb 0.05 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.05 1r31 n LEU 720 CO 0.08 0.42 0.03 -1.14 -1.33 0.00 0.00 177.39 175.44 1r31 n ARG 721 N 0.87 2.23 -3.67 3.23 0.63 -0.84 -4.15 116.66 114.96 1r31 n ARG 721 Ca 0.10 -4.53 -0.32 0.00 -0.92 0.00 0.00 57.85 52.18 1r31 n ARG 721 Cb 0.42 -2.20 -0.05 0.00 0.45 0.00 0.00 32.46 31.08 1r31 n ARG 721 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1r31 s LEU 722 N -2.13 4.28 0.04 6.15 1.43 -1.26 -1.36 118.68 125.83 1r31 s LEU 722 Ca 0.36 0.60 0.06 0.00 -1.03 0.00 0.00 54.13 54.12 1r31 s LEU 722 Cb 0.10 -3.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.08 1r31 s LEU 722 CO -0.06 0.08 -0.17 0.00 0.23 0.00 0.00 176.35 176.43 1r31 s ALA 723 N -1.60 1.47 0.01 4.21 0.00 -0.65 -1.44 121.76 123.76 1r31 s ALA 723 Ca 0.39 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.44 1r31 s ALA 723 Cb -0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 1r31 s ALA 723 CO 0.23 0.31 -0.07 1.03 0.00 0.00 0.00 175.76 177.26 1r31 s ARG 724 N -1.11 0.52 0.02 0.00 0.52 0.42 -2.40 118.95 116.92 1r31 s ARG 724 Ca 0.05 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 54.84 1r31 s ARG 724 Cb -0.08 -0.43 -0.02 0.00 0.52 0.00 0.00 34.95 34.94 1r31 s ARG 724 CO 0.01 0.11 -0.03 0.00 0.02 0.00 0.00 175.30 175.41 1r31 s ALA 725 N -0.59 0.18 0.07 2.13 0.00 -0.54 -1.66 121.76 121.35 1r31 s ALA 725 Ca -0.02 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 51.49 1r31 s ALA 725 Cb -0.05 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 1r31 s ALA 725 CO 0.00 -0.10 -0.12 -0.65 0.00 0.00 0.00 175.76 174.89 1r31 s GLN 726 N -1.17 0.76 0.04 0.00 -0.21 -0.10 -1.83 119.66 117.14 1r31 s GLN 726 Ca -0.12 -0.94 -0.09 0.00 0.02 0.00 0.00 55.36 54.24 1r31 s GLN 726 Cb -0.08 -0.69 0.00 0.00 1.00 0.00 0.00 33.01 33.24 1r31 s GLN 726 CO -0.01 0.15 0.17 0.54 -2.12 0.00 0.00 175.29 174.02 1r31 s VAL 727 N -1.42 0.11 -0.02 1.09 0.11 -0.96 -2.47 120.40 116.85 1r31 s VAL 727 Ca -0.03 -0.94 0.01 0.00 -2.93 0.00 0.00 61.98 58.09 1r31 s VAL 727 Cb -0.09 -0.90 0.01 0.00 -1.53 0.00 0.00 36.38 33.87 1r31 s VAL 727 CO 0.02 -0.52 -0.02 -0.60 -3.33 0.00 0.00 175.10 170.65 1r31 s ARG 728 N -2.57 0.35 -0.02 1.54 3.52 -1.26 -2.35 118.95 118.17 1r31 s ARG 728 Ca -0.05 -0.04 0.03 0.00 -0.13 0.00 0.00 55.73 55.54 1r31 s ARG 728 Cb -0.01 -0.43 -0.00 0.00 -1.56 0.00 0.00 34.95 32.95 1r31 s ARG 728 CO -0.04 -0.03 -0.09 0.42 -0.81 0.00 0.00 175.30 174.74 1r31 s ILE 729 N 0.51 0.78 0.16 4.11 -1.09 0.02 -4.68 121.20 121.01 1r31 s ILE 729 Ca -0.05 -0.39 0.02 0.00 -2.23 0.00 0.00 60.65 57.99 1r31 s ILE 729 Cb -0.08 -0.67 -0.04 0.00 -1.58 0.00 0.00 42.46 40.09 1r31 s ILE 729 CO -0.01 0.23 0.31 0.42 -1.23 0.00 0.00 174.94 174.66 1r31 s THR 730 N -0.04 5.30 0.39 2.92 -4.23 -1.26 -0.50 115.64 118.23 1r31 s THR 730 Ca 0.01 -0.62 0.10 0.00 -1.18 0.00 0.00 61.69 60.00 1r31 s THR 730 Cb -0.06 -3.74 0.32 0.00 1.34 0.00 0.00 72.50 70.35 1r31 s THR 730 CO -0.00 -0.11 1.95 1.55 -0.54 0.00 0.00 174.62 177.47 1r31 h PRO 731 N 2.10 0.56 -0.41 3.99 0.13 -1.84 -1.65 132.00 134.88 1r31 h PRO 731 Ca -0.48 -0.03 0.04 0.00 -0.87 0.00 0.00 66.00 64.65 1r31 h PRO 731 Cb 1.19 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 1r31 h PRO 731 CO 0.68 0.37 0.27 0.37 -0.23 0.00 0.00 178.00 179.47 1r31 h GLN 732 N 0.58 0.38 0.00 0.86 5.75 -1.95 -1.63 115.11 119.10 1r31 h GLN 732 Ca 0.32 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.80 1r31 h GLN 732 Cb 0.49 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.95 1r31 h GLN 732 CO -0.11 0.25 0.00 1.04 -2.65 0.00 0.00 178.83 177.37 1r31 n GLN 733 N -4.48 0.25 -0.13 1.69 6.02 -0.62 -3.60 117.38 116.52 1r31 n GLN 733 Ca 0.05 0.22 0.07 0.00 -0.01 0.00 0.00 57.00 57.33 1r31 n GLN 733 Cb 0.19 -1.80 0.14 0.00 1.02 0.00 0.00 30.24 29.79 1r31 n GLN 733 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1r31 n LEU 734 N -2.24 2.77 -4.71 1.08 4.77 -0.64 -5.00 117.00 113.04 1r31 n LEU 734 Ca 0.06 -1.53 -0.42 0.00 -0.03 0.00 0.00 56.01 54.08 1r31 n LEU 734 Cb 0.42 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1r31 n LEU 734 CO 0.30 0.62 1.17 -0.70 -1.33 0.00 0.00 177.39 177.45 1r31 s GLU 735 N -1.11 4.26 0.46 3.23 2.12 -1.09 -4.53 118.70 122.04 1r31 s GLU 735 Ca 0.25 2.22 0.06 0.00 0.36 0.00 0.00 54.97 57.86 1r31 s GLU 735 Cb 0.14 -3.28 -0.02 0.00 0.26 0.00 0.00 34.13 31.23 1r31 s GLU 735 CO 0.20 -0.55 0.22 0.95 -0.54 0.00 0.00 175.26 175.53 1r31 s THR 736 N 1.41 1.99 0.02 -1.70 -4.23 -0.11 -4.92 115.64 108.10 1r31 s THR 736 Ca 0.68 -1.68 0.32 0.00 -1.18 0.00 0.00 61.69 59.84 1r31 s THR 736 Cb -0.40 -2.67 0.36 0.00 1.34 0.00 0.00 72.50 71.13 1r31 s THR 736 CO 0.31 0.00 1.96 0.00 -0.54 0.00 0.00 174.62 176.34 1r31 h ALA 737 N 1.23 1.00 0.00 3.99 0.00 -2.00 -3.16 119.26 120.32 1r31 h ALA 737 Ca -0.41 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.12 1r31 h ALA 737 Cb 1.27 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 1r31 h ALA 737 CO 0.67 0.00 -2.42 0.39 0.00 0.00 0.00 179.25 177.89 1r31 n GLU 738 N -2.84 0.67 -4.29 0.00 4.71 -1.26 -5.02 120.64 112.62 1r31 n GLU 738 Ca 0.00 0.11 -0.20 0.00 -0.01 0.00 0.00 57.16 57.06 1r31 n GLU 738 Cb 0.24 -1.53 -0.11 0.00 -1.01 0.00 0.00 31.44 29.02 1r31 n GLU 738 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1r31 s PHE 739 N -2.51 1.62 0.76 -0.32 0.40 -1.19 -5.14 117.98 111.59 1r31 s PHE 739 Ca -0.26 -0.51 -0.11 0.00 -0.60 0.00 0.00 56.93 55.45 1r31 s PHE 739 Cb 0.08 -0.83 0.05 0.00 0.51 0.00 0.00 43.02 42.83 1r31 s PHE 739 CO 0.68 0.24 1.10 -1.54 0.70 0.00 0.00 175.22 176.40 1r31 s SER 740 N -2.53 4.91 0.30 1.36 1.04 -1.26 -0.93 113.70 116.58 1r31 s SER 740 Ca 0.12 1.22 -0.00 0.00 0.48 0.00 0.00 55.95 57.76 1r31 s SER 740 Cb -0.06 -1.97 0.46 0.00 0.10 0.00 0.00 66.02 64.55 1r31 s SER 740 CO 0.05 -1.70 1.88 1.23 0.98 0.00 0.00 173.24 175.68 1r31 h GLY 741 N -0.90 0.91 1.01 7.32 0.00 -1.79 -2.55 103.07 107.07 1r31 h GLY 741 Ca -0.46 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.39 1r31 h GLY 741 CO 0.61 0.44 0.36 0.83 0.00 0.00 0.00 176.54 178.78 1r31 h GLU 742 N 0.84 1.04 -0.56 4.80 3.07 -1.93 -2.32 114.58 119.53 1r31 h GLU 742 Ca 0.20 -0.15 -0.05 0.00 -0.50 0.00 0.00 59.36 58.87 1r31 h GLU 742 Cb 0.16 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 1r31 h GLU 742 CO -0.02 0.81 0.17 0.00 -1.40 0.00 0.00 179.01 178.56 1r31 h ALA 743 N 1.18 0.73 -0.46 3.43 0.00 -1.84 -2.09 119.26 120.21 1r31 h ALA 743 Ca 0.25 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1r31 h ALA 743 Cb 0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1r31 h ALA 743 CO -0.03 0.40 0.29 0.28 0.00 0.00 0.00 179.25 180.19 1r31 h VAL 744 N 0.78 1.14 -0.94 0.00 2.07 -1.27 -0.77 116.25 117.25 1r31 h VAL 744 Ca 0.18 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1r31 h VAL 744 Cb 0.30 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 1r31 h VAL 744 CO -0.00 0.14 0.62 0.40 0.02 0.00 0.00 177.57 178.75 1r31 h ILE 745 N 0.62 1.23 -0.47 4.57 2.04 -1.26 0.30 117.51 124.55 1r31 h ILE 745 Ca 0.17 -0.43 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 1r31 h ILE 745 Cb -0.03 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 35.88 1r31 h ILE 745 CO -0.03 0.23 -0.00 -0.33 0.00 0.00 0.00 178.15 178.02 1r31 h GLU 746 N 1.27 0.77 -0.38 2.37 4.39 -0.87 -1.18 114.58 120.94 1r31 h GLU 746 Ca 0.35 -0.20 -0.12 0.00 0.34 0.00 0.00 59.36 59.73 1r31 h GLU 746 Cb -0.13 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 1r31 h GLU 746 CO -0.08 0.78 -0.25 0.78 -1.16 0.00 0.00 179.01 179.08 1r31 h GLY 747 N 0.96 0.85 1.24 -3.84 0.00 -0.11 -2.01 103.07 100.16 1r31 h GLY 747 Ca 0.14 -0.74 -0.11 0.00 0.00 0.00 0.00 47.33 46.62 1r31 h GLY 747 CO 0.02 0.67 -0.17 -2.22 0.00 0.00 0.00 176.54 174.85 1r31 h ILE 748 N 0.67 1.27 -0.46 2.60 2.04 -0.58 -1.91 117.51 121.14 1r31 h ILE 748 Ca 0.09 -1.29 -0.06 0.00 1.00 0.00 0.00 64.86 64.59 1r31 h ILE 748 Cb 0.77 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1r31 h ILE 748 CO 0.06 0.44 0.02 -0.07 0.00 0.00 0.00 178.15 178.61 1r31 h LEU 749 N 0.77 0.69 -0.63 1.44 3.38 -1.04 -1.09 115.31 118.84 1r31 h LEU 749 Ca 0.11 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1r31 h LEU 749 Cb 0.70 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1r31 h LEU 749 CO 0.05 0.75 0.22 0.44 0.09 0.00 0.00 178.44 179.99 1r31 h ASP 750 N 0.69 0.90 -0.63 -0.43 3.32 -1.00 -1.24 116.42 118.03 1r31 h ASP 750 Ca 0.14 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 1r31 h ASP 750 Cb 0.39 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 1r31 h ASP 750 CO 0.01 0.85 0.23 0.00 -1.72 0.00 0.00 179.24 178.61 1r31 h ALA 751 N 1.08 0.82 -0.33 3.45 0.00 -0.82 -1.59 119.26 121.87 1r31 h ALA 751 Ca 0.21 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1r31 h ALA 751 Cb 0.26 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1r31 h ALA 751 CO -0.01 0.46 0.10 -0.92 0.00 0.00 0.00 179.25 178.88 1r31 h TYR 752 N 0.89 0.54 -0.96 0.00 3.20 -0.96 -2.11 116.97 117.57 1r31 h TYR 752 Ca 0.21 -0.06 0.04 0.00 3.14 0.00 0.00 58.73 62.06 1r31 h TYR 752 Cb 0.24 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.30 1r31 h TYR 752 CO 0.02 0.54 0.63 0.00 -1.64 0.00 0.00 178.16 177.70 1r31 h ALA 753 N 0.94 1.39 -0.42 1.82 0.00 -1.04 -0.77 119.26 121.18 1r31 h ALA 753 Ca 0.11 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1r31 h ALA 753 Cb 0.25 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1r31 h ALA 753 CO -0.00 0.50 0.27 0.35 0.00 0.00 0.00 179.25 180.37 1r31 h PHE 754 N 1.20 0.50 -0.10 0.00 3.57 -0.98 -2.46 116.94 118.67 1r31 h PHE 754 Ca 0.39 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.80 1r31 h PHE 754 Cb 0.04 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1r31 h PHE 754 CO -0.00 0.31 -0.38 0.00 -2.23 0.00 0.00 178.31 176.00 1r31 h ALA 755 N 1.17 1.17 0.00 2.41 0.00 -0.70 -1.94 119.26 121.37 1r31 h ALA 755 Ca 0.16 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1r31 h ALA 755 Cb -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1r31 h ALA 755 CO -0.05 0.56 -0.26 0.00 0.00 0.00 0.00 179.25 179.50 1r31 h ALA 756 N 1.43 1.17 0.00 0.00 0.00 -0.71 -3.32 119.26 117.83 1r31 h ALA 756 Ca 0.02 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 1r31 h ALA 756 Cb 0.76 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1r31 h ALA 756 CO 0.06 0.32 -1.88 1.33 0.00 0.00 0.00 179.25 179.08 1r31 n VAL 757 N -3.65 0.61 -3.86 0.00 0.24 -1.03 -4.80 118.33 105.84 1r31 n VAL 757 Ca -0.01 -0.51 -0.36 0.00 -2.04 0.00 0.00 64.34 61.42 1r31 n VAL 757 Cb 0.38 -0.33 -0.13 0.00 -1.47 0.00 0.00 33.84 32.29 1r31 n VAL 757 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1r31 s ASP 758 N -4.40 5.03 0.57 -1.34 2.15 -0.74 -4.98 116.67 112.95 1r31 s ASP 758 Ca -0.07 -1.33 0.28 0.00 0.43 0.00 0.00 52.55 51.86 1r31 s ASP 758 Cb 0.06 -1.76 1.48 0.00 -0.30 0.00 0.00 42.92 42.41 1r31 s ASP 758 CO 0.61 -0.31 1.94 -0.65 -0.17 0.00 0.00 175.17 176.60 1r31 h PRO 759 N 8.05 0.00 -0.10 4.34 0.11 -1.82 0.19 132.00 142.77 1r31 h PRO 759 Ca -0.21 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.83 1r31 h PRO 759 Cb 1.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1r31 h PRO 759 CO 0.57 0.00 -0.29 1.88 -0.21 0.00 0.00 178.00 179.95 1r31 h TYR 760 N 0.00 0.20 0.09 0.65 -1.99 -1.93 -2.19 116.97 111.79 1r31 h TYR 760 Ca 0.23 -0.04 -0.34 0.00 2.00 0.00 0.00 58.73 60.59 1r31 h TYR 760 Cb 1.12 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 39.77 1r31 h TYR 760 CO 0.00 0.46 -1.85 -0.09 -0.00 0.00 0.00 178.16 176.68 1r31 h ARG 761 N 0.16 0.19 -0.80 4.88 9.65 -1.35 -3.36 114.38 123.76 1r31 h ARG 761 Ca 0.02 -0.33 0.06 0.00 -1.10 0.00 0.00 59.98 58.63 1r31 h ARG 761 Cb 0.60 0.12 -0.06 0.00 -1.39 0.00 0.00 29.97 29.24 1r31 h ARG 761 CO 0.04 0.99 0.49 0.00 2.80 0.00 0.00 179.97 184.30 1r31 h ALA 762 N 0.40 1.09 -0.69 2.80 0.00 -1.05 0.29 119.26 122.11 1r31 h ALA 762 Ca -0.36 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.57 1r31 h ALA 762 Cb 2.03 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.57 1r31 h ALA 762 CO 0.10 0.23 0.44 0.00 0.00 0.00 0.00 179.25 180.02 1r31 h ALA 763 N 1.38 0.89 -0.27 0.00 0.00 -1.57 0.40 119.26 120.08 1r31 h ALA 763 Ca 0.35 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 1r31 h ALA 763 Cb 0.15 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1r31 h ALA 763 CO -0.16 0.23 -0.38 1.15 0.00 0.00 0.00 179.25 180.09 1r31 h THR 764 N 0.87 1.30 0.04 0.00 2.02 -1.55 -0.95 112.91 114.64 1r31 h THR 764 Ca 0.27 -1.57 0.01 0.00 0.77 0.00 0.00 66.41 65.89 1r31 h THR 764 Cb -0.03 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1r31 h THR 764 CO -0.09 0.50 -0.09 -0.74 0.37 0.00 0.00 175.52 175.48 1r31 h HIS 765 N 0.48 -0.22 -0.02 3.16 6.17 0.07 -2.14 115.15 122.65 1r31 h HIS 765 Ca 0.03 0.00 -0.08 0.00 0.71 0.00 0.00 60.37 61.03 1r31 h HIS 765 Cb 0.97 0.09 -0.01 0.00 2.52 0.00 0.00 27.41 30.98 1r31 h HIS 765 CO 0.08 -0.14 -0.39 -0.91 0.71 0.00 0.00 177.93 177.28 1r31 h ASN 766 N -0.17 0.04 -0.80 3.26 2.35 -0.22 -2.66 115.58 117.38 1r31 h ASN 766 Ca 0.02 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1r31 h ASN 766 Cb 0.19 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 1r31 h ASN 766 CO -0.06 0.42 0.51 0.50 -1.65 0.00 0.00 177.43 177.15 1r31 h LYS 767 N 0.03 1.07 -0.57 0.81 3.11 -0.68 -1.45 116.57 118.89 1r31 h LYS 767 Ca 0.00 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 57.77 1r31 h LYS 767 Cb 0.70 -0.24 -0.03 0.00 -1.00 0.00 0.00 32.23 31.67 1r31 h LYS 767 CO 0.05 0.73 0.37 0.78 -2.81 0.00 0.00 179.45 178.57 1r31 h GLY 768 N 1.10 0.81 0.95 5.01 0.00 -1.04 -1.07 103.07 108.83 1r31 h GLY 768 Ca 0.29 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 1r31 h GLY 768 CO -0.06 0.30 0.09 -2.22 0.00 0.00 0.00 176.54 174.65 1r31 h ILE 769 N 0.78 1.24 0.00 2.60 2.04 -1.22 -2.56 117.51 120.38 1r31 h ILE 769 Ca 0.21 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1r31 h ILE 769 Cb -0.07 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1r31 h ILE 769 CO -0.04 0.30 0.00 0.24 0.00 0.00 0.00 178.15 178.64 1r31 h MET 770 N 0.58 0.00 0.00 2.37 2.86 -0.57 -2.10 114.93 118.06 1r31 h MET 770 Ca 0.13 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.72 1r31 h MET 770 Cb 0.35 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1r31 h MET 770 CO 0.00 0.00 -0.27 -0.91 1.06 0.00 0.00 176.91 176.80 1r31 h ASN 771 N 0.00 0.00 0.22 1.22 2.35 -0.80 -1.21 115.58 117.36 1r31 h ASN 771 Ca 0.00 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.40 1r31 h ASN 771 Cb 0.47 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1r31 h ASN 771 CO 0.00 0.27 -1.85 1.23 -1.65 0.00 0.00 177.43 175.43 1r31 h GLY 772 N 0.96 0.31 0.13 2.83 0.00 -1.41 -3.40 103.07 102.49 1r31 h GLY 772 Ca -0.00 -0.80 -0.00 0.00 0.00 0.00 0.00 47.33 46.53 1r31 h GLY 772 CO 0.03 0.70 -0.01 -2.22 0.00 0.00 0.00 176.54 175.05 1r31 h ILE 773 N 0.07 1.48 -0.81 2.60 2.04 -1.36 -3.37 117.51 118.15 1r31 h ILE 773 Ca -0.37 -1.89 0.15 0.00 1.00 0.00 0.00 64.86 63.75 1r31 h ILE 773 Cb 2.05 2.69 -0.10 0.00 -0.74 0.00 0.00 36.82 40.72 1r31 h ILE 773 CO 0.12 0.46 0.38 0.44 0.00 0.00 0.00 178.15 179.55 1r31 h ASP 774 N -0.89 0.41 -0.19 1.72 5.19 -1.47 -1.51 116.42 119.68 1r31 h ASP 774 Ca -0.00 0.10 0.02 0.00 -0.62 0.00 0.00 57.03 56.53 1r31 h ASP 774 Cb 0.78 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.33 1r31 h ASP 774 CO 0.00 0.16 0.13 -0.65 -3.12 0.00 0.00 179.24 175.76 1r31 h PRO 775 N 0.53 0.17 0.00 3.56 0.11 -1.75 -0.38 132.00 134.24 1r31 h PRO 775 Ca 0.45 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 66.35 1r31 h PRO 775 Cb 0.68 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 1r31 h PRO 775 CO -0.39 0.11 -0.89 1.25 -0.21 0.00 0.00 178.00 177.87 1r31 h LEU 776 N 0.17 0.34 -0.19 2.35 5.85 -1.44 -1.61 115.31 120.76 1r31 h LEU 776 Ca 0.08 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 1r31 h LEU 776 Cb 0.11 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1r31 h LEU 776 CO -0.01 1.07 0.01 0.40 -0.34 0.00 0.00 178.44 179.56 1r31 h ILE 777 N 0.14 1.24 -0.40 4.05 1.08 -0.82 -2.53 117.51 120.28 1r31 h ILE 777 Ca -0.05 -0.82 -0.00 0.00 -0.39 0.00 0.00 64.86 63.59 1r31 h ILE 777 Cb 1.52 1.41 -0.02 0.00 -3.07 0.00 0.00 36.82 36.66 1r31 h ILE 777 CO 0.14 0.25 0.23 0.58 -0.69 0.00 0.00 178.15 178.66 1r31 h VAL 778 N 0.10 1.14 -0.12 1.67 2.07 -1.15 -0.70 116.25 119.27 1r31 h VAL 778 Ca 0.06 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.27 1r31 h VAL 778 Cb 0.36 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1r31 h VAL 778 CO 0.01 0.14 0.12 0.00 0.02 0.00 0.00 177.57 177.86 1r31 h ALA 779 N 1.09 1.79 -0.52 1.67 0.00 -1.31 -1.30 119.26 120.69 1r31 h ALA 779 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1r31 h ALA 779 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1r31 h ALA 779 CO -0.02 -0.18 0.00 0.25 0.00 0.00 0.00 179.25 179.30 1r31 n THR 780 N -3.98 2.08 -1.31 0.00 -2.24 -0.96 -4.17 114.28 103.70 1r31 n THR 780 Ca -0.00 -1.38 -0.11 0.00 -2.27 0.00 0.00 64.05 60.30 1r31 n THR 780 Cb 0.23 -0.01 -0.05 0.00 -2.10 0.00 0.00 70.33 68.40 1r31 n THR 780 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r31 n GLY 781 N 0.60 1.14 3.93 3.38 0.00 -0.49 -4.33 105.19 109.43 1r31 n GLY 781 Ca 0.24 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1r31 n GLY 781 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1r31 s ASN 782 N -2.61 5.23 -0.57 1.61 -0.87 -0.31 -3.30 114.94 114.12 1r31 s ASN 782 Ca 0.00 0.51 -0.28 0.00 -1.57 0.00 0.00 52.86 51.52 1r31 s ASN 782 Cb 0.00 -1.35 0.03 0.00 -0.02 0.00 0.00 41.25 39.91 1r31 s ASN 782 CO 0.00 -1.29 1.16 -0.62 -2.57 0.00 0.00 177.10 173.78 1r31 s ASP 783 N -4.41 6.45 0.45 -1.22 -1.08 -1.26 -4.47 116.67 111.13 1r31 s ASP 783 Ca 0.57 0.09 0.26 0.00 -0.52 0.00 0.00 52.55 52.94 1r31 s ASP 783 Cb -0.11 -2.54 0.60 0.00 -1.46 0.00 0.00 42.92 39.42 1r31 s ASP 783 CO 0.44 -1.43 1.70 4.11 0.52 0.00 0.00 175.17 180.51 1r31 h TRP 784 N 9.49 0.00 -0.19 -5.34 0.09 -1.93 -3.14 115.95 114.92 1r31 h TRP 784 Ca -0.25 0.00 -0.16 0.00 0.09 0.00 0.00 58.89 58.57 1r31 h TRP 784 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.29 1r31 h TRP 784 CO 1.02 0.00 -0.54 0.00 0.09 0.00 0.00 178.44 179.01 1r31 h ARG 785 N 0.00 0.57 -0.45 0.12 -0.00 -1.99 -1.95 114.38 110.68 1r31 h ARG 785 Ca 0.00 -0.36 -0.03 0.00 -0.50 0.00 0.00 59.98 59.09 1r31 h ARG 785 Cb 0.87 0.04 -0.02 0.00 0.00 0.00 0.00 29.97 30.86 1r31 h ARG 785 CO 0.00 0.97 0.15 0.00 0.00 0.00 0.00 179.97 181.09 1r31 h ALA 786 N 0.96 0.59 -0.49 0.04 0.00 -1.96 -1.61 119.26 116.79 1r31 h ALA 786 Ca 0.01 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1r31 h ALA 786 Cb 1.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1r31 h ALA 786 CO 0.10 0.23 -0.15 0.28 0.00 0.00 0.00 179.25 179.71 1r31 h VAL 787 N 0.59 1.27 -0.37 0.00 2.07 -1.52 -2.46 116.25 115.83 1r31 h VAL 787 Ca 0.15 -1.29 -0.05 0.00 0.82 0.00 0.00 66.70 66.32 1r31 h VAL 787 Cb 0.25 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1r31 h VAL 787 CO -0.01 0.45 0.02 -0.33 0.02 0.00 0.00 177.57 177.72 1r31 h GLU 788 N 0.83 0.64 -0.40 1.57 4.39 -1.24 -2.08 114.58 118.29 1r31 h GLU 788 Ca 0.12 -0.20 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 1r31 h GLU 788 Cb 0.70 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1r31 h GLU 788 CO 0.05 0.74 0.08 0.00 -1.16 0.00 0.00 179.01 178.72 1r31 h ALA 789 N 0.88 0.53 -0.61 3.43 0.00 -1.26 -1.99 119.26 120.25 1r31 h ALA 789 Ca 0.11 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1r31 h ALA 789 Cb 0.43 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1r31 h ALA 789 CO 0.02 0.22 0.20 0.78 0.00 0.00 0.00 179.25 180.47 1r31 h GLY 790 N 0.51 0.98 0.69 0.00 0.00 -1.43 -1.80 103.07 102.02 1r31 h GLY 790 Ca 0.12 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 1r31 h GLY 790 CO 0.00 0.51 -0.16 0.00 0.00 0.00 0.00 176.54 176.89 1r31 h ALA 791 N 1.33 -0.46 -0.20 3.60 0.00 -1.16 -2.47 119.26 119.90 1r31 h ALA 791 Ca 0.20 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1r31 h ALA 791 Cb 0.24 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1r31 h ALA 791 CO -0.01 -0.60 -0.44 0.45 0.00 0.00 0.00 179.25 178.65 1r31 h HIS 792 N -0.78 0.60 -0.34 0.00 3.86 -1.38 -2.14 115.15 114.96 1r31 h HIS 792 Ca -0.05 -0.18 -0.10 0.00 -1.16 0.00 0.00 60.37 58.88 1r31 h HIS 792 Cb 0.51 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 1r31 h HIS 792 CO 0.02 0.85 -0.21 0.00 0.86 0.00 0.00 177.93 179.45 1r31 h ALA 793 N 1.12 1.00 -0.32 2.45 0.00 -1.41 -2.66 119.26 119.43 1r31 h ALA 793 Ca 0.03 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 1r31 h ALA 793 Cb 0.93 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1r31 h ALA 793 CO 0.08 0.59 -0.22 -0.92 0.00 0.00 0.00 179.25 178.79 1r31 h TYR 794 N 0.58 0.69 0.00 0.00 3.20 -1.30 -2.82 116.97 117.32 1r31 h TYR 794 Ca 0.09 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 61.81 1r31 h TYR 794 Cb 0.67 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.77 1r31 h TYR 794 CO 0.03 0.78 -0.01 0.00 -1.64 0.00 0.00 178.16 177.33 1r31 h ALA 795 N 1.22 1.07 -0.06 1.82 0.00 -1.02 -2.65 119.26 119.64 1r31 h ALA 795 Ca 0.08 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1r31 h ALA 795 Cb 0.67 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 1r31 h ALA 795 CO 0.05 0.01 -0.56 0.00 0.00 0.00 0.00 179.25 178.75 1r31 h ARG 797 N 1.10 0.13 0.00 0.00 0.11 -1.42 -2.80 114.38 111.50 1r31 h ARG 797 Ca 0.02 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1r31 h ARG 797 Cb 1.09 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.16 1r31 h ARG 797 CO 0.07 0.48 0.00 -1.13 0.10 0.00 0.00 179.97 179.49 1r31 n SER 798 N -4.08 0.00 0.00 0.08 3.41 -1.26 -4.85 113.62 106.93 1r31 n SER 798 Ca -0.02 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1r31 n SER 798 Cb 0.43 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1r31 n SER 798 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r31 n GLY 799 N 0.54 1.64 3.05 5.00 0.00 -1.06 -5.06 105.19 109.31 1r31 n GLY 799 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 1r31 n GLY 799 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1r31 s HIS 800 N -2.25 1.93 -0.42 1.61 5.65 -1.26 -5.08 115.29 115.47 1r31 s HIS 800 Ca 0.00 -0.91 -0.28 0.00 0.25 0.00 0.00 55.06 54.12 1r31 s HIS 800 Cb 0.00 -1.40 -0.01 0.00 -1.18 0.00 0.00 32.58 29.99 1r31 s HIS 800 CO 0.00 -0.47 1.64 -0.47 -0.65 0.00 0.00 174.74 174.78 1r31 s TYR 801 N 1.00 2.04 0.00 3.88 5.04 -1.26 -4.36 117.35 123.69 1r31 s TYR 801 Ca -0.06 0.64 0.00 0.00 -2.44 0.00 0.00 57.07 55.21 1r31 s TYR 801 Cb -0.15 -4.21 0.00 0.00 0.35 0.00 0.00 41.96 37.95 1r31 s TYR 801 CO -0.02 -2.44 0.00 0.41 -1.34 0.00 0.00 175.55 172.16 1r31 n GLY 802 N 5.33 6.99 3.74 8.97 0.00 -0.71 -4.33 105.19 125.18 1r31 n GLY 802 Ca 0.19 -1.94 -0.40 0.00 0.00 0.00 0.00 46.02 43.87 1r31 n GLY 802 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r31 s SER 803 N 0.75 7.30 0.29 1.61 0.15 -1.26 -4.83 113.70 117.71 1r31 s SER 803 Ca 0.00 1.56 0.14 0.00 0.70 0.00 0.00 55.95 58.35 1r31 s SER 803 Cb 0.00 -2.51 0.35 0.00 -1.71 0.00 0.00 66.02 62.15 1r31 s SER 803 CO 0.00 -0.04 1.58 -0.07 1.20 0.00 0.00 173.24 175.91 1r31 h LEU 804 N 5.78 0.00-10.44 3.45 3.38 -1.93 -3.45 115.31 112.10 1r31 h LEU 804 Ca -0.43 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.12 1r31 h LEU 804 Cb 1.21 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.98 1r31 h LEU 804 CO 0.72 0.57 -0.26 0.42 0.09 0.00 0.00 178.44 179.98 1r31 s THR 805 N -3.38 2.99 0.02 0.22 -4.23 -1.26 -4.05 115.64 105.96 1r31 s THR 805 Ca 0.00 -1.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.53 1r31 s THR 805 Cb 0.11 -3.00 -0.02 0.00 1.34 0.00 0.00 72.50 70.94 1r31 s THR 805 CO 0.74 0.00 -0.06 0.42 -0.54 0.00 0.00 174.62 175.18 1r31 s THR 806 N -2.35 0.44 -0.04 3.99 -4.23 -0.95 -4.96 115.64 107.53 1r31 s THR 806 Ca 0.55 -0.75 0.01 0.00 -1.18 0.00 0.00 61.69 60.32 1r31 s THR 806 Cb -0.10 -0.47 0.02 0.00 1.34 0.00 0.00 72.50 73.29 1r31 s THR 806 CO 0.33 -0.22 -0.04 0.26 -0.54 0.00 0.00 174.62 174.40 1r31 s TRP 807 N -0.94 0.74 0.29 3.99 0.52 -1.26 -1.64 118.94 120.65 1r31 s TRP 807 Ca -0.06 -0.20 0.03 0.00 0.02 0.00 0.00 56.10 55.88 1r31 s TRP 807 Cb -0.07 -0.66 -0.03 0.00 -1.15 0.00 0.00 33.47 31.56 1r31 s TRP 807 CO 0.00 -0.19 0.28 -1.21 0.02 0.00 0.00 176.95 175.85 1r31 s GLU 808 N 0.91 1.62 -0.13 4.98 2.02 -0.26 -4.95 118.70 122.88 1r31 s GLU 808 Ca -0.11 -1.84 0.00 0.00 0.02 0.00 0.00 54.97 53.05 1r31 s GLU 808 Cb -0.14 0.34 0.02 0.00 0.10 0.00 0.00 34.13 34.44 1r31 s GLU 808 CO 0.00 -0.60 -0.13 0.21 0.02 0.00 0.00 175.26 174.76 1r31 s LYS 809 N -3.60 2.10 1.01 1.61 2.20 -1.26 -0.69 119.74 121.11 1r31 s LYS 809 Ca 0.38 -0.49 -0.16 0.00 -0.36 0.00 0.00 55.97 55.34 1r31 s LYS 809 Cb 0.03 -1.94 0.21 0.00 -1.51 0.00 0.00 37.83 34.62 1r31 s LYS 809 CO 0.21 -0.21 1.26 0.16 -0.36 0.00 0.00 175.35 176.42 1r31 s ASP 810 N 1.44 2.70 0.00 1.43 1.47 0.17 -4.82 116.67 119.07 1r31 s ASP 810 Ca 0.03 0.39 0.00 0.00 1.18 0.00 0.00 52.55 54.15 1r31 s ASP 810 Cb -0.13 -0.51 0.00 0.00 -0.34 0.00 0.00 42.92 41.94 1r31 s ASP 810 CO -0.08 -3.00 0.88 0.59 0.68 0.00 0.00 175.17 174.23 1r31 n ASN 811 N -3.97 0.00 -0.80 2.11 3.02 -1.26 0.63 115.26 115.00 1r31 n ASN 811 Ca 0.14 0.38 0.09 0.00 -0.03 0.00 0.00 54.58 55.17 1r31 n ASN 811 Cb 0.59 -0.38 0.10 0.00 -0.61 0.00 0.00 39.78 39.49 1r31 n ASN 811 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1r31 n ASN 812 N -1.38 2.71 0.00 6.41 4.13 -1.26 -4.94 115.26 120.93 1r31 n ASN 812 Ca 0.00 -1.81 0.00 0.00 1.68 0.00 0.00 54.58 54.45 1r31 n ASN 812 Cb 0.05 -0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.23 1r31 n ASN 812 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1r31 n GLY 813 N 1.08 0.79 3.77 7.41 0.00 0.21 -5.02 105.19 113.43 1r31 n GLY 813 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1r31 n GLY 813 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1r31 s HIS 814 N -3.14 3.63 -0.10 1.61 3.76 -1.25 -4.70 115.29 115.10 1r31 s HIS 814 Ca 0.00 1.76 -0.30 0.00 -0.15 0.00 0.00 55.06 56.37 1r31 s HIS 814 Cb 0.00 -3.09 -0.02 0.00 1.11 0.00 0.00 32.58 30.59 1r31 s HIS 814 CO 0.00 -0.14 1.04 -1.17 -0.85 0.00 0.00 174.74 173.62 1r31 s LEU 815 N -1.80 4.25 -0.05 0.89 2.96 0.35 -0.65 118.68 124.63 1r31 s LEU 815 Ca 0.48 1.58 0.02 0.00 -0.22 0.00 0.00 54.13 55.99 1r31 s LEU 815 Cb -0.25 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 42.90 1r31 s LEU 815 CO 0.32 -0.47 -0.07 0.68 -1.32 0.00 0.00 176.35 175.48 1r31 s VAL 816 N 2.04 0.74 0.22 1.68 -7.23 0.14 -0.80 120.40 117.19 1r31 s VAL 816 Ca 0.50 -0.26 0.09 0.00 -1.81 0.00 0.00 61.98 60.49 1r31 s VAL 816 Cb -0.19 -0.72 -0.05 0.00 0.56 0.00 0.00 36.38 35.98 1r31 s VAL 816 CO 0.19 0.26 -0.16 -0.83 -0.31 0.00 0.00 175.10 174.25 1r31 s GLY 817 N 0.72 1.50 0.13 2.32 0.00 -0.99 -1.10 107.32 109.89 1r31 s GLY 817 Ca -0.11 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 42.92 1r31 s GLY 817 CO 0.01 -1.78 0.01 -0.51 0.00 0.00 0.00 173.10 170.83 1r31 s THR 818 N -2.83 0.39 -0.21 0.90 -4.23 -0.65 -2.27 115.64 106.74 1r31 s THR 818 Ca 0.23 -1.92 -0.05 0.00 -1.18 0.00 0.00 61.69 58.77 1r31 s THR 818 Cb -0.02 -1.94 0.11 0.00 1.34 0.00 0.00 72.50 71.98 1r31 s THR 818 CO 0.08 -0.60 0.38 -0.22 -0.54 0.00 0.00 174.62 173.72 1r31 s LEU 819 N -3.07 -0.59 -0.07 4.79 2.96 -0.76 -2.23 118.68 119.70 1r31 s LEU 819 Ca 0.20 0.61 0.02 0.00 -0.22 0.00 0.00 54.13 54.74 1r31 s LEU 819 Cb 0.07 1.16 0.01 0.00 0.50 0.00 0.00 46.19 47.94 1r31 s LEU 819 CO -0.00 -0.26 -0.13 -0.70 -1.32 0.00 0.00 176.35 173.93 1r31 s GLU 820 N 2.56 1.87 0.06 1.98 2.12 -1.26 -1.47 118.70 124.56 1r31 s GLU 820 Ca 0.05 -0.46 -0.27 0.00 0.36 0.00 0.00 54.97 54.64 1r31 s GLU 820 Cb -0.13 -1.55 0.09 0.00 0.26 0.00 0.00 34.13 32.79 1r31 s GLU 820 CO -0.14 0.02 0.89 0.00 -0.54 0.00 0.00 175.26 175.50 1r31 s MET 821 N 0.71 0.98 0.42 4.30 0.23 -1.01 -4.92 119.30 120.01 1r31 s MET 821 Ca -0.13 -0.43 -0.25 0.00 -1.03 0.00 0.00 55.69 53.84 1r31 s MET 821 Cb -0.16 0.40 -0.08 0.00 -1.53 0.00 0.00 34.83 33.46 1r31 s MET 821 CO 0.03 -0.44 1.27 -2.14 -2.03 0.00 0.00 175.02 171.71 1r31 s PRO 822 N -3.22 3.92 -0.46 3.16 0.02 -1.26 -1.63 135.00 135.53 1r31 s PRO 822 Ca 0.07 2.07 0.06 0.00 0.02 0.00 0.00 61.00 63.21 1r31 s PRO 822 Cb -0.01 -2.69 0.20 0.00 0.02 0.00 0.00 34.50 32.02 1r31 s PRO 822 CO -0.06 -0.50 0.58 -0.12 -0.33 0.00 0.00 177.00 176.57 1r31 n MET 823 N 0.01 0.45 -2.91 5.54 1.56 -0.46 -4.69 117.12 116.61 1r31 n MET 823 Ca 0.04 -2.57 -0.42 0.00 -0.27 0.00 0.00 57.70 54.49 1r31 n MET 823 Cb 0.45 -1.52 -0.05 0.00 2.15 0.00 0.00 33.22 34.25 1r31 n MET 823 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1r31 s PRO 824 N 0.31 3.93 0.14 2.12 0.04 -1.26 -4.84 135.00 135.44 1r31 s PRO 824 Ca 0.32 0.58 -0.07 0.00 0.04 0.00 0.00 61.00 61.87 1r31 s PRO 824 Cb 0.06 -3.75 -0.01 0.00 0.04 0.00 0.00 34.50 30.84 1r31 s PRO 824 CO -0.14 -0.74 0.21 0.14 0.04 0.00 0.00 177.00 176.52 1r31 s VAL 825 N 3.06 0.09 0.15 -0.36 -7.23 -1.26 -4.75 120.40 110.11 1r31 s VAL 825 Ca 0.34 -1.45 0.02 0.00 -1.81 0.00 0.00 61.98 59.07 1r31 s VAL 825 Cb -0.14 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.00 1r31 s VAL 825 CO 0.14 -0.43 -0.01 -0.83 -0.31 0.00 0.00 175.10 173.66 1r31 s GLY 826 N -2.96 1.10 -0.01 2.32 0.00 -1.26 -3.72 107.32 102.79 1r31 s GLY 826 Ca 0.15 -1.53 0.14 0.00 0.00 0.00 0.00 44.72 43.49 1r31 s GLY 826 CO -0.02 -1.50 0.53 1.04 0.00 0.00 0.00 173.10 173.15 1r31 n LEU 827 N -0.19 0.49 -4.34 0.66 4.77 0.72 -4.90 117.00 114.21 1r31 n LEU 827 Ca -0.08 -0.36 -0.18 0.00 -0.03 0.00 0.00 56.01 55.37 1r31 n LEU 827 Cb 0.63 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.61 1r31 n LEU 827 CO 0.32 0.12 -0.36 0.68 -1.33 0.00 0.00 177.39 176.83 1r31 s VAL 828 N -2.55 1.24 0.00 4.08 -7.23 -1.23 -4.72 120.40 109.99 1r31 s VAL 828 Ca 0.02 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 1r31 s VAL 828 Cb 0.10 -2.26 0.00 0.00 0.56 0.00 0.00 36.38 34.78 1r31 s VAL 828 CO 0.60 -0.41 0.00 0.61 -0.31 0.00 0.00 175.10 175.59 1r31 n GLY 829 N -0.41 0.62 7.00 2.32 0.00 -1.26 -4.50 105.19 108.95 1r31 n GLY 829 Ca -0.06 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1r31 n GLY 829 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r31 n GLY 830 N 1.41 2.43 0.30 -0.02 0.00 -1.26 -2.39 105.19 105.66 1r31 n GLY 830 Ca 0.00 -0.30 0.19 0.00 0.00 0.00 0.00 46.02 45.91 1r31 n GLY 830 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r31 h ALA 831 N -0.62 1.12 -0.08 4.61 0.00 -1.96 -2.55 119.26 119.79 1r31 h ALA 831 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1r31 h ALA 831 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1r31 h ALA 831 CO 0.00 0.03 0.06 1.15 0.00 0.00 0.00 179.25 180.49 1r31 h THR 832 N 0.00 0.88 0.00 0.00 2.02 -1.46 -1.18 112.91 113.17 1r31 h THR 832 Ca -0.00 0.00 -0.39 0.00 0.77 0.00 0.00 66.41 66.79 1r31 h THR 832 Cb 0.18 0.96 -0.07 0.00 -1.74 0.00 0.00 68.15 67.48 1r31 h THR 832 CO 0.00 0.00 -2.47 0.29 0.37 0.00 0.00 175.52 173.71 1r31 n LYS 833 N -4.39 0.65 0.17 6.66 4.76 -0.98 -4.09 118.16 120.94 1r31 n LYS 833 Ca -0.01 0.16 0.05 0.00 -2.87 0.00 0.00 58.31 55.64 1r31 n LYS 833 Cb 0.17 -1.52 0.15 0.00 -1.84 0.00 0.00 35.03 31.98 1r31 n LYS 833 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1r31 h THR 834 N -0.05 0.70 -3.39 -0.18 1.35 -1.45 -3.44 112.91 106.46 1r31 h THR 834 Ca -0.58 -1.81 -0.60 0.00 -0.55 0.00 0.00 66.41 62.87 1r31 h THR 834 Cb 1.89 2.21 -0.09 0.00 -1.73 0.00 0.00 68.15 70.43 1r31 h THR 834 CO -0.10 0.37 0.47 -2.28 -0.25 0.00 0.00 175.52 173.73 1r31 s HIS 835 N -3.17 3.22 0.38 4.73 5.65 -0.45 -4.93 115.29 120.70 1r31 s HIS 835 Ca 0.03 0.93 0.12 0.00 0.25 0.00 0.00 55.06 56.39 1r31 s HIS 835 Cb 0.08 -3.25 0.92 0.00 -1.18 0.00 0.00 32.58 29.14 1r31 s HIS 835 CO 0.71 -0.56 1.85 -1.35 -0.65 0.00 0.00 174.74 174.74 1r31 h PRO 836 N 8.03 0.57 0.00 2.88 0.11 -1.85 -1.03 132.00 140.71 1r31 h PRO 836 Ca -0.23 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.75 1r31 h PRO 836 Cb 1.09 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1r31 h PRO 836 CO 0.90 0.37 -0.41 -0.07 -0.21 0.00 0.00 178.00 178.58 1r31 h LEU 837 N 0.58 0.00 -0.44 2.35 3.38 -1.92 -2.07 115.31 117.20 1r31 h LEU 837 Ca 0.47 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.31 1r31 h LEU 837 Cb 0.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1r31 h LEU 837 CO -0.21 0.41 -0.24 0.00 0.09 0.00 0.00 178.44 178.49 1r31 h ALA 838 N 1.59 0.62 -0.65 1.53 0.00 -1.37 -0.76 119.26 120.22 1r31 h ALA 838 Ca -0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 1r31 h ALA 838 Cb 1.27 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1r31 h ALA 838 CO 0.05 0.63 0.09 1.96 0.00 0.00 0.00 179.25 181.98 1r31 h GLN 839 N 0.78 1.09 -0.52 0.00 1.08 -1.37 -2.53 115.11 113.64 1r31 h GLN 839 Ca 0.09 -0.30 -0.08 0.00 -1.45 0.00 0.00 58.65 56.92 1r31 h GLN 839 Cb 0.82 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 28.11 1r31 h GLN 839 CO 0.07 1.01 0.02 1.25 -0.95 0.00 0.00 178.83 180.22 1r31 h LEU 840 N 1.00 0.84 -0.30 1.46 5.85 -1.17 -2.16 115.31 120.83 1r31 h LEU 840 Ca 0.20 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1r31 h LEU 840 Cb 0.45 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1r31 h LEU 840 CO 0.01 0.89 0.18 0.28 -0.34 0.00 0.00 178.44 179.47 1r31 h SER 841 N 0.81 0.30 -0.56 1.25 0.02 -0.83 0.14 113.55 114.68 1r31 h SER 841 Ca 0.16 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1r31 h SER 841 Cb 0.46 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 1r31 h SER 841 CO 0.02 0.22 0.33 -0.07 -1.14 0.00 0.00 176.83 176.19 1r31 h LEU 842 N 0.37 0.68 -0.08 5.07 3.38 -1.28 0.14 115.31 123.60 1r31 h LEU 842 Ca 0.12 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1r31 h LEU 842 Cb -0.01 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1r31 h LEU 842 CO -0.05 0.53 0.04 -0.09 0.09 0.00 0.00 178.44 178.96 1r31 h ARG 843 N 0.79 0.12 -0.69 1.13 2.43 -0.65 0.32 114.38 117.83 1r31 h ARG 843 Ca 0.21 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1r31 h ARG 843 Cb -0.02 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1r31 h ARG 843 CO -0.04 0.22 0.26 0.82 -1.51 0.00 0.00 179.97 179.72 1r31 h ILE 844 N -0.01 1.24 -0.30 1.20 2.04 0.01 -2.93 117.51 118.76 1r31 h ILE 844 Ca 0.03 -0.77 -0.18 0.00 1.00 0.00 0.00 64.86 64.94 1r31 h ILE 844 Cb 0.14 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1r31 h ILE 844 CO -0.00 0.31 -0.52 -0.07 0.00 0.00 0.00 178.15 177.86 1r31 h LEU 845 N 1.00 0.96 0.07 1.44 3.38 -0.43 -3.40 115.31 118.33 1r31 h LEU 845 Ca 0.23 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1r31 h LEU 845 Cb 0.21 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1r31 h LEU 845 CO -0.02 1.30 -0.02 0.61 0.09 0.00 0.00 178.44 180.40 1r31 n GLY 846 N 0.32 0.43 3.75 0.83 0.00 0.11 -4.78 105.19 105.86 1r31 n GLY 846 Ca -0.04 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 1r31 n GLY 846 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1r31 s VAL 847 N -2.04 3.59 -0.28 1.61 -7.23 -1.23 -4.96 120.40 109.85 1r31 s VAL 847 Ca 0.00 1.56 0.16 0.00 -1.81 0.00 0.00 61.98 61.90 1r31 s VAL 847 Cb 0.00 -4.00 -0.22 0.00 0.56 0.00 0.00 36.38 32.72 1r31 s VAL 847 CO 0.00 0.36 0.47 0.29 -0.31 0.00 0.00 175.10 175.91 1r31 n LYS 848 N 1.40 0.97 -4.10 4.82 4.76 -1.26 -4.99 118.16 119.76 1r31 n LYS 848 Ca -0.01 -0.09 -0.08 0.00 -2.87 0.00 0.00 58.31 55.25 1r31 n LYS 848 Cb 0.45 -1.33 -0.10 0.00 -1.84 0.00 0.00 35.03 32.21 1r31 n LYS 848 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1r31 s THR 849 N -2.89 0.34 0.28 -0.18 -4.23 -1.26 -5.05 115.64 102.65 1r31 s THR 849 Ca -0.02 -1.70 -0.02 0.00 -1.18 0.00 0.00 61.69 58.78 1r31 s THR 849 Cb 0.11 -1.37 0.19 0.00 1.34 0.00 0.00 72.50 72.77 1r31 s THR 849 CO 0.67 -0.88 1.87 0.00 -0.54 0.00 0.00 174.62 175.73 1r31 h ALA 850 N 3.35 1.26 0.00 3.99 0.00 -1.85 -2.26 119.26 123.75 1r31 h ALA 850 Ca -0.34 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1r31 h ALA 850 Cb 1.16 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1r31 h ALA 850 CO 0.61 0.54 -0.25 1.96 0.00 0.00 0.00 179.25 182.12 1r31 h GLN 851 N 0.90 0.00 -0.25 0.00 1.08 -1.89 -0.91 115.11 114.04 1r31 h GLN 851 Ca 0.21 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.30 1r31 h GLN 851 Cb 0.17 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1r31 h GLN 851 CO -0.02 0.25 -0.33 0.00 -0.95 0.00 0.00 178.83 177.78 1r31 h ALA 852 N 1.75 0.97 -0.37 3.87 0.00 -1.82 -0.85 119.26 122.80 1r31 h ALA 852 Ca -0.00 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.35 1r31 h ALA 852 Cb 0.49 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1r31 h ALA 852 CO 0.03 0.61 -0.42 1.25 0.00 0.00 0.00 179.25 180.72 1r31 h LEU 853 N 0.45 1.01 -0.82 0.00 5.85 -1.23 -2.64 115.31 117.93 1r31 h LEU 853 Ca 0.05 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1r31 h LEU 853 Cb 0.79 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1r31 h LEU 853 CO 0.06 1.28 0.53 0.00 -0.34 0.00 0.00 178.44 179.98 1r31 h ALA 854 N 0.76 1.04 -0.53 1.25 0.00 -0.85 -1.04 119.26 119.89 1r31 h ALA 854 Ca 0.05 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1r31 h ALA 854 Cb 1.02 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1r31 h ALA 854 CO 0.10 0.47 0.04 0.93 0.00 0.00 0.00 179.25 180.79 1r31 h GLU 855 N 1.12 0.87 -0.49 0.00 5.08 -1.07 -2.36 114.58 117.73 1r31 h GLU 855 Ca 0.30 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 1r31 h GLU 855 Cb -0.10 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1r31 h GLU 855 CO -0.06 0.85 -0.11 0.82 -1.00 0.00 0.00 179.01 179.51 1r31 h ILE 856 N 0.82 1.26 -0.32 3.13 2.04 -1.06 -2.64 117.51 120.74 1r31 h ILE 856 Ca 0.16 -1.22 0.03 0.00 1.00 0.00 0.00 64.86 64.83 1r31 h ILE 856 Cb 0.43 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1r31 h ILE 856 CO 0.02 0.42 0.13 0.00 0.00 0.00 0.00 178.15 178.72 1r31 h ALA 857 N 1.06 0.37 0.00 1.87 0.00 -0.70 -1.86 119.26 120.00 1r31 h ALA 857 Ca 0.13 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1r31 h ALA 857 Cb 0.63 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1r31 h ALA 857 CO 0.04 -0.26 -0.36 -0.39 0.00 0.00 0.00 179.25 178.28 1r31 h VAL 858 N 0.28 0.92 -0.58 0.00 -1.51 -1.40 -0.86 116.25 113.10 1r31 h VAL 858 Ca 0.14 -1.43 -0.08 0.00 -1.23 0.00 0.00 66.70 64.10 1r31 h VAL 858 Cb 0.08 1.86 -0.02 0.00 -2.13 0.00 0.00 31.29 31.08 1r31 h VAL 858 CO -0.12 0.36 0.05 0.00 -1.23 0.00 0.00 177.57 176.63 1r31 h ALA 859 N 1.64 0.77 -0.37 5.19 0.00 -1.05 -0.71 119.26 124.72 1r31 h ALA 859 Ca -0.00 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 1r31 h ALA 859 Cb 0.83 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1r31 h ALA 859 CO 0.05 0.56 -0.25 0.28 0.00 0.00 0.00 179.25 179.88 1r31 h VAL 860 N 0.88 1.28 -0.77 0.00 2.07 -1.01 -1.97 116.25 116.74 1r31 h VAL 860 Ca 0.17 -1.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 1r31 h VAL 860 Cb 0.47 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 1r31 h VAL 860 CO 0.02 0.47 0.41 1.23 0.02 0.00 0.00 177.57 179.71 1r31 h GLY 861 N 0.62 1.15 0.97 2.17 0.00 -0.97 -1.01 103.07 106.00 1r31 h GLY 861 Ca 0.07 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1r31 h GLY 861 CO 0.07 0.51 0.15 -2.00 0.00 0.00 0.00 176.54 175.27 1r31 h LEU 862 N 1.07 0.70 -0.73 3.11 5.85 -1.03 -1.78 115.31 122.50 1r31 h LEU 862 Ca 0.27 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1r31 h LEU 862 Cb 0.06 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1r31 h LEU 862 CO -0.04 0.72 0.30 0.00 -0.34 0.00 0.00 178.44 179.08 1r31 h ALA 863 N 1.01 0.95 -0.36 1.25 0.00 -1.09 -1.75 119.26 119.27 1r31 h ALA 863 Ca 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1r31 h ALA 863 Cb 0.27 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1r31 h ALA 863 CO -0.01 0.56 0.15 0.37 0.00 0.00 0.00 179.25 180.33 1r31 h GLN 864 N 1.04 0.54 -0.28 0.00 5.75 -0.98 -0.56 115.11 120.61 1r31 h GLN 864 Ca 0.24 -0.09 0.02 0.00 -0.15 0.00 0.00 58.65 58.68 1r31 h GLN 864 Cb 0.20 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 1r31 h GLN 864 CO -0.02 0.51 0.12 -0.97 -2.65 0.00 0.00 178.83 175.82 1r31 h ASN 865 N 0.44 0.16 -0.41 -0.69 -0.00 -1.12 -1.77 115.58 112.19 1r31 h ASN 865 Ca 0.12 0.02 0.03 0.00 -0.00 0.00 0.00 56.30 56.48 1r31 h ASN 865 Cb 0.17 -0.01 -0.04 0.00 -0.00 0.00 0.00 38.32 38.45 1r31 h ASN 865 CO -0.01 0.13 0.20 0.25 -0.00 0.00 0.00 177.43 178.00 1r31 h LEU 866 N 0.26 0.29 -0.69 0.34 5.85 -1.12 -2.06 115.31 118.19 1r31 h LEU 866 Ca 0.12 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1r31 h LEU 866 Cb 0.06 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 1r31 h LEU 866 CO -0.10 0.21 0.42 1.23 -0.34 0.00 0.00 178.44 179.86 1r31 h GLY 867 N 0.41 1.00 0.95 3.75 0.00 -0.64 -1.11 103.07 107.44 1r31 h GLY 867 Ca 0.18 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 1r31 h GLY 867 CO -0.13 0.25 0.13 0.00 0.00 0.00 0.00 176.54 176.79 1r31 h ALA 868 N 1.31 0.59 -0.43 3.60 0.00 -0.97 -2.76 119.26 120.59 1r31 h ALA 868 Ca 0.28 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1r31 h ALA 868 Cb 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1r31 h ALA 868 CO -0.12 0.25 -0.31 0.52 0.00 0.00 0.00 179.25 179.59 1r31 h MET 869 N 0.59 0.97 -0.73 0.00 2.07 -1.18 -1.59 114.93 115.06 1r31 h MET 869 Ca 0.14 -0.47 0.05 0.00 -2.07 0.00 0.00 59.70 57.36 1r31 h MET 869 Cb 0.29 -0.01 -0.05 0.00 -1.87 0.00 0.00 31.60 29.96 1r31 h MET 869 CO -0.00 1.13 0.44 -0.09 1.07 0.00 0.00 176.91 179.46 1r31 h ARG 870 N 0.81 0.79 -0.09 1.72 2.43 -1.15 0.84 114.38 119.73 1r31 h ARG 870 Ca 0.08 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1r31 h ARG 870 Cb 0.90 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1r31 h ARG 870 CO 0.08 0.52 -0.06 0.00 -1.51 0.00 0.00 179.97 179.00 1r31 h ALA 871 N 1.35 0.13 -0.21 2.80 0.00 -1.39 -1.02 119.26 120.93 1r31 h ALA 871 Ca 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1r31 h ALA 871 Cb 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1r31 h ALA 871 CO -0.16 -0.08 0.14 -0.07 0.00 0.00 0.00 179.25 179.07 1r31 h LEU 872 N -0.18 0.23 0.00 0.00 3.38 -0.96 -1.83 115.31 115.95 1r31 h LEU 872 Ca 0.02 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1r31 h LEU 872 Cb 0.54 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1r31 h LEU 872 CO 0.02 0.17 -0.81 0.00 0.09 0.00 0.00 178.44 177.91 1r31 h ALA 873 N 1.87 0.66 -0.01 1.53 0.00 -0.76 -3.33 119.26 119.23 1r31 h ALA 873 Ca 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1r31 h ALA 873 Cb -0.03 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1r31 h ALA 873 CO -0.02 0.28 -0.57 0.25 0.00 0.00 0.00 179.25 179.19 1r31 n THR 874 N -2.89 0.00 -2.17 0.00 -2.24 -0.40 -4.92 114.28 101.66 1r31 n THR 874 Ca -0.01 -0.16 -0.43 0.00 -2.27 0.00 0.00 64.05 61.19 1r31 n THR 874 Cb 0.63 0.99 -0.02 0.00 -2.10 0.00 0.00 70.33 69.83 1r31 n THR 874 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1r31 s GLU 875 N -2.64 3.40 0.68 -0.78 2.56 -0.74 -4.95 118.70 116.24 1r31 s GLU 875 Ca 0.16 1.13 -0.17 0.00 0.00 0.00 0.00 54.97 56.09 1r31 s GLU 875 Cb 0.18 -4.13 -0.06 0.00 2.00 0.00 0.00 34.13 32.12 1r31 s GLU 875 CO 0.65 -1.78 0.48 0.41 -0.56 0.00 0.00 175.26 174.46 1r31 n GLY 876 N 5.28 -1.64 0.01 -1.50 0.00 -1.26 -5.08 105.19 101.00 1r31 n GLY 876 Ca 0.19 -0.33 0.16 0.00 0.00 0.00 0.00 46.02 46.05 1r31 n GLY 876 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71