#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wsu n SER 512 N 0.00 0.00 0.00 1.61 3.41 -1.26 -5.01 113.62 112.37 1wsu n SER 512 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1wsu n SER 512 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1wsu n SER 512 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wsu n GLU 513 N 0.00 0.00 0.06 4.33 -0.58 -1.26 -4.66 120.64 118.53 1wsu n GLU 513 Ca 0.00 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.85 1wsu n GLU 513 Cb 0.00 -0.06 0.02 0.00 -0.57 0.00 0.00 31.44 30.83 1wsu n GLU 513 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1wsu n THR 514 N 0.00 0.39 0.08 2.62 -2.24 -1.26 -3.05 114.28 110.82 1wsu n THR 514 Ca 0.00 -0.41 -0.09 0.00 -2.27 0.00 0.00 64.05 61.28 1wsu n THR 514 Cb 0.04 -0.12 -0.06 0.00 -2.10 0.00 0.00 70.33 68.09 1wsu n THR 514 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1wsu h GLN 515 N 0.00 0.12 0.00 -0.78 5.75 -1.95 -2.48 115.11 115.77 1wsu h GLN 515 Ca 0.00 -0.16 -0.10 0.00 -0.15 0.00 0.00 58.65 58.24 1wsu h GLN 515 Cb 0.88 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.47 1wsu h GLN 515 CO 0.00 1.00 -0.47 0.87 -2.65 0.00 0.00 178.83 177.58 1wsu h LYS 516 N 0.05 0.00 0.00 1.69 1.57 -1.82 -1.95 116.57 116.11 1wsu h LYS 516 Ca -0.04 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1wsu h LYS 516 Cb 1.67 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.97 1wsu h LYS 516 CO 0.14 0.47 -0.37 -0.22 -0.57 0.00 0.00 179.45 178.90 1wsu h LYS 517 N 0.00 0.00 -0.29 3.15 3.64 -1.44 -2.95 116.57 118.68 1wsu h LYS 517 Ca -0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1wsu h LYS 517 Cb 0.87 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1wsu h LYS 517 CO 0.06 0.37 -0.34 1.25 -2.27 0.00 0.00 179.45 178.52 1wsu h LEU 518 N 0.00 0.67 -0.95 5.20 5.85 -0.90 0.15 115.31 125.33 1wsu h LEU 518 Ca -0.00 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.34 1wsu h LEU 518 Cb 1.14 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 1wsu h LEU 518 CO 0.05 0.95 -0.30 -0.07 -0.34 0.00 0.00 178.44 178.73 1wsu h LEU 519 N 0.54 0.42 -0.13 2.25 3.38 -1.31 -0.48 115.31 119.98 1wsu h LEU 519 Ca 0.06 -0.15 -0.19 0.00 0.09 0.00 0.00 57.88 57.69 1wsu h LEU 519 Cb 0.84 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.48 1wsu h LEU 519 CO 0.07 0.70 -0.65 0.50 0.09 0.00 0.00 178.44 179.16 1wsu h LYS 520 N 0.36 0.66 0.00 1.13 1.63 -1.35 -1.29 116.57 117.72 1wsu h LYS 520 Ca 0.05 -0.54 -0.08 0.00 -0.85 0.00 0.00 60.65 59.22 1wsu h LYS 520 Cb 0.71 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.44 1wsu h LYS 520 CO 0.05 1.16 -0.39 -0.44 -3.45 0.00 0.00 179.45 176.39 1wsu h ASP 521 N 0.33 0.00 -0.02 4.20 3.32 -0.75 -1.12 116.42 122.39 1wsu h ASP 521 Ca -0.05 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 1wsu h ASP 521 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1wsu h ASP 521 CO 0.13 0.39 -0.12 -0.07 -1.72 0.00 0.00 179.24 177.85 1wsu h LEU 522 N 0.00 0.15 -0.22 1.55 3.38 -1.01 -2.16 115.31 116.99 1wsu h LEU 522 Ca -0.00 -0.67 0.04 0.00 0.09 0.00 0.00 57.88 57.34 1wsu h LEU 522 Cb 0.86 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 1wsu h LEU 522 CO 0.05 0.79 -0.01 -0.08 0.09 0.00 0.00 178.44 179.28 1wsu h GLU 523 N -0.49 0.05 -0.20 1.13 4.81 -1.11 -1.41 114.58 117.37 1wsu h GLU 523 Ca -0.01 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1wsu h GLU 523 Cb 0.79 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1wsu h GLU 523 CO 0.02 0.03 0.14 -0.44 -0.73 0.00 0.00 179.01 178.04 1wsu h ASP 524 N 0.05 0.15 -0.63 1.04 3.32 -1.23 0.32 116.42 119.44 1wsu h ASP 524 Ca 0.10 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1wsu h ASP 524 Cb 0.14 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1wsu h ASP 524 CO -0.18 0.10 0.38 0.50 -1.72 0.00 0.00 179.24 178.32 1wsu h LYS 525 N 0.17 0.85 0.10 3.56 3.11 -0.58 0.16 116.57 123.94 1wsu h LYS 525 Ca 0.08 -0.07 -0.28 0.00 -2.81 0.00 0.00 60.65 57.57 1wsu h LYS 525 Cb 0.12 -0.18 0.02 0.00 -1.00 0.00 0.00 32.23 31.19 1wsu h LYS 525 CO -0.01 0.60 -1.19 1.88 -2.81 0.00 0.00 179.45 177.91 1wsu h TYR 526 N 0.85 0.79 -0.27 1.91 -1.99 -0.67 -1.82 116.97 115.77 1wsu h TYR 526 Ca 0.23 -0.51 -0.01 0.00 2.00 0.00 0.00 58.73 60.44 1wsu h TYR 526 Cb -0.03 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 38.62 1wsu h TYR 526 CO -0.02 1.36 0.15 -0.09 -0.00 0.00 0.00 178.16 179.56 1wsu h ARG 527 N 0.21 0.38 0.26 4.88 2.43 -0.27 -0.34 114.38 121.93 1wsu h ARG 527 Ca -0.15 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.96 1wsu h ARG 527 Cb 1.87 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.35 1wsu h ARG 527 CO 0.22 0.34 -0.12 0.28 -1.51 0.00 0.00 179.97 179.17 1wsu h VAL 528 N 0.32 0.78 -0.31 0.20 2.07 -1.03 -3.06 116.25 115.23 1wsu h VAL 528 Ca 0.10 -0.60 0.09 0.00 0.82 0.00 0.00 66.70 67.10 1wsu h VAL 528 Cb 0.07 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1wsu h VAL 528 CO -0.02 0.12 0.24 0.28 0.02 0.00 0.00 177.57 178.22 1wsu h SER 529 N -0.68 0.00 0.00 0.57 0.02 -1.30 -3.45 113.55 108.71 1wsu h SER 529 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1wsu h SER 529 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1wsu h SER 529 CO 0.06 0.00 0.00 -1.14 -1.14 0.00 0.00 176.83 174.61 1wsu n ARG 530 N -4.31 0.00 0.00 3.45 0.63 -0.14 -1.46 116.66 114.83 1wsu n ARG 530 Ca 0.05 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.12 1wsu n ARG 530 Cb 0.41 0.00 0.63 0.00 0.45 0.00 0.00 32.46 33.95 1wsu n ARG 530 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 1wsu n TRP 531 N 0.00 0.00 -2.75 -0.14 8.01 -1.26 -3.81 117.44 117.49 1wsu n TRP 531 Ca 0.00 0.00 -0.20 0.00 -1.31 0.00 0.00 57.50 55.99 1wsu n TRP 531 Cb 0.00 -0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 29.29 1wsu n TRP 531 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 1wsu n GLN 532 N -0.14 2.31 -1.57 -0.99 3.00 -0.53 -4.83 117.38 114.63 1wsu n GLN 532 Ca 0.20 -4.03 -0.39 0.00 -0.01 0.00 0.00 57.00 52.78 1wsu n GLN 532 Cb 0.29 -1.87 0.04 0.00 0.00 0.00 0.00 30.24 28.71 1wsu n GLN 532 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1wsu n PRO 533 N -0.18 0.90 -2.07 -1.09 -0.04 -1.25 -4.88 135.00 126.39 1wsu n PRO 533 Ca 0.26 0.34 -0.34 0.00 -0.04 0.00 0.00 63.50 63.73 1wsu n PRO 533 Cb 0.65 -2.01 0.01 0.00 -0.04 0.00 0.00 33.50 32.12 1wsu n PRO 533 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1wsu s PRO 534 N -2.39 3.21 0.81 0.54 0.04 -1.26 -4.99 135.00 130.97 1wsu s PRO 534 Ca 0.71 1.40 -0.09 0.00 0.04 0.00 0.00 61.00 63.06 1wsu s PRO 534 Cb -0.46 -2.00 0.13 0.00 0.04 0.00 0.00 34.50 32.21 1wsu s PRO 534 CO 0.51 -0.92 1.14 -1.54 0.04 0.00 0.00 177.00 176.23 1wsu s SER 535 N -2.33 4.04 0.15 6.66 1.04 -1.26 -4.61 113.70 117.38 1wsu s SER 535 Ca 0.68 0.22 -0.19 0.00 0.48 0.00 0.00 55.95 57.14 1wsu s SER 535 Cb -0.20 -0.56 0.03 0.00 0.10 0.00 0.00 66.02 65.39 1wsu s SER 535 CO 0.33 -2.12 1.68 0.15 0.98 0.00 0.00 173.24 174.27 1wsu h PHE 536 N -1.01 -0.18 -0.33 5.02 3.57 -1.73 -1.49 116.94 120.78 1wsu h PHE 536 Ca -0.43 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.16 1wsu h PHE 536 Cb 1.27 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 40.09 1wsu h PHE 536 CO -0.36 -0.14 0.01 0.87 -2.23 0.00 0.00 178.31 176.47 1wsu h LYS 537 N -0.02 0.11 -0.80 1.11 1.57 -1.93 0.11 116.57 116.73 1wsu h LYS 537 Ca 0.14 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1wsu h LYS 537 Cb 0.23 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1wsu h LYS 537 CO -0.30 0.07 0.31 0.93 -0.57 0.00 0.00 179.45 179.89 1wsu h GLU 538 N 0.11 1.20 -0.17 3.15 5.08 -1.85 -0.87 114.58 121.24 1wsu h GLU 538 Ca 0.16 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1wsu h GLU 538 Cb 0.21 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1wsu h GLU 538 CO -0.26 0.97 0.07 0.28 -1.00 0.00 0.00 179.01 179.07 1wsu h VAL 539 N 1.16 1.16 -0.77 3.13 2.07 -0.65 0.41 116.25 122.76 1wsu h VAL 539 Ca 0.26 -0.49 0.10 0.00 0.82 0.00 0.00 66.70 67.40 1wsu h VAL 539 Cb 0.23 1.17 -0.08 0.00 -1.52 0.00 0.00 31.29 31.10 1wsu h VAL 539 CO -0.02 0.15 0.41 0.00 0.02 0.00 0.00 177.57 178.13 1wsu h ALA 540 N 0.90 1.10 -0.45 1.67 0.00 -0.67 -1.55 119.26 120.27 1wsu h ALA 540 Ca 0.06 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1wsu h ALA 540 Cb 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1wsu h ALA 540 CO -0.00 -0.01 -0.15 0.78 0.00 0.00 0.00 179.25 179.87 1wsu h GLY 541 N 0.67 0.97 1.00 0.00 0.00 -0.79 0.48 103.07 105.40 1wsu h GLY 541 Ca 0.39 -0.83 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 1wsu h GLY 541 CO -0.28 0.75 0.22 1.76 0.00 0.00 0.00 176.54 179.00 1wsu h SER 542 N 0.73 0.85 -0.12 0.19 0.02 -0.22 -2.98 113.55 112.02 1wsu h SER 542 Ca 0.11 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1wsu h SER 542 Cb 0.71 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1wsu h SER 542 CO 0.05 0.81 0.00 0.49 -1.14 0.00 0.00 176.83 177.04 1wsu n PHE 543 N -4.44 0.13 -3.25 3.45 3.01 -0.65 -4.99 117.46 110.73 1wsu n PHE 543 Ca 0.04 -0.07 -0.06 0.00 1.01 0.00 0.00 57.45 58.36 1wsu n PHE 543 Cb 0.18 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 1wsu n PHE 543 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1wsu n ASN 544 N 1.34 -7.05 -4.32 4.37 4.05 0.14 -5.00 115.26 108.79 1wsu n ASN 544 Ca 0.15 -0.31 -0.24 0.00 0.45 0.00 0.00 54.58 54.63 1wsu n ASN 544 Cb 0.58 -4.42 -0.12 0.00 1.23 0.00 0.00 39.78 37.05 1wsu n ASN 544 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1wsu s LEU 545 N -4.28 2.34 0.23 1.20 1.43 0.34 -5.02 118.68 114.93 1wsu s LEU 545 Ca 0.01 -0.75 -0.18 0.00 -1.03 0.00 0.00 54.13 52.18 1wsu s LEU 545 Cb -0.00 -0.92 -0.08 0.00 0.03 0.00 0.00 46.19 45.22 1wsu s LEU 545 CO 0.79 0.05 0.70 -0.62 0.23 0.00 0.00 176.35 177.50 1wsu s ASP 546 N -2.16 6.97 0.21 2.29 -1.08 -1.26 -4.75 116.67 116.89 1wsu s ASP 546 Ca 0.10 1.35 -0.20 0.00 -0.52 0.00 0.00 52.55 53.28 1wsu s ASP 546 Cb -0.09 -2.39 0.18 0.00 -1.46 0.00 0.00 42.92 39.15 1wsu s ASP 546 CO 0.05 -0.01 1.57 -0.65 0.52 0.00 0.00 175.17 176.65 1wsu h PRO 547 N 3.19 -0.08 -1.00 4.34 0.11 -1.99 0.58 132.00 137.16 1wsu h PRO 547 Ca -0.48 0.01 0.17 0.00 0.11 0.00 0.00 66.00 65.81 1wsu h PRO 547 Cb 1.19 0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.22 1wsu h PRO 547 CO 0.65 -0.05 0.62 0.66 -0.21 0.00 0.00 178.00 179.67 1wsu h SER 548 N -0.08 0.81 -0.04 -2.05 4.64 -1.99 0.32 113.55 115.16 1wsu h SER 548 Ca 0.29 0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.67 1wsu h SER 548 Cb 0.57 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1wsu h SER 548 CO -0.84 0.34 -0.02 -0.33 -0.87 0.00 0.00 176.83 175.11 1wsu h GLU 549 N 0.82 0.09 -0.50 4.77 5.08 -1.31 -2.94 114.58 120.59 1wsu h GLU 549 Ca 0.55 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.86 1wsu h GLU 549 Cb 0.78 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1wsu h GLU 549 CO -0.34 0.48 0.27 1.25 -1.00 0.00 0.00 179.01 179.67 1wsu h LEU 550 N -0.31 0.63 -0.61 1.33 5.85 -0.25 -0.87 115.31 121.08 1wsu h LEU 550 Ca 0.01 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.67 1wsu h LEU 550 Cb 0.45 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1wsu h LEU 550 CO 0.01 0.55 0.35 -0.08 -0.34 0.00 0.00 178.44 178.93 1wsu h GLU 551 N 0.67 0.66 -0.19 1.25 4.81 -0.49 0.24 114.58 121.54 1wsu h GLU 551 Ca 0.18 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.21 1wsu h GLU 551 Cb 0.06 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1wsu h GLU 551 CO -0.03 0.44 -0.52 1.49 -0.73 0.00 0.00 179.01 179.66 1wsu h GLU 552 N 0.68 0.53 -0.55 1.92 4.57 -1.30 -1.59 114.58 118.84 1wsu h GLU 552 Ca 0.26 -0.32 -0.03 0.00 -1.18 0.00 0.00 59.36 58.08 1wsu h GLU 552 Cb 0.08 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 1wsu h GLU 552 CO -0.13 0.92 0.22 -0.07 -1.18 0.00 0.00 179.01 178.77 1wsu h LEU 553 N 0.41 0.76 -0.34 1.64 3.38 -0.49 -1.45 115.31 119.22 1wsu h LEU 553 Ca 0.01 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1wsu h LEU 553 Cb 1.05 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1wsu h LEU 553 CO 0.10 0.73 0.06 -0.07 0.09 0.00 0.00 178.44 179.35 1wsu h LEU 554 N 0.75 0.53 -1.61 1.67 3.38 -0.87 -0.96 115.31 118.21 1wsu h LEU 554 Ca 0.18 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1wsu h LEU 554 Cb 0.21 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1wsu h LEU 554 CO -0.01 0.65 0.01 0.45 0.09 0.00 0.00 178.44 179.62 1wsu h HIS 555 N 0.39 0.25 -0.26 1.13 3.86 -1.16 0.60 115.15 119.97 1wsu h HIS 555 Ca 0.10 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.23 1wsu h HIS 555 Cb 0.34 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 1wsu h HIS 555 CO 0.02 0.26 -0.11 -0.92 0.86 0.00 0.00 177.93 178.04 1wsu h TYR 556 N 0.25 0.61 -0.13 2.45 3.20 -0.78 -1.31 116.97 121.27 1wsu h TYR 556 Ca 0.06 -0.15 -0.03 0.00 3.14 0.00 0.00 58.73 61.75 1wsu h TYR 556 Cb 0.16 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1wsu h TYR 556 CO 0.00 0.78 -0.07 -0.07 -1.64 0.00 0.00 178.16 177.16 1wsu h LEU 557 N 0.27 0.17 -0.15 2.82 3.38 0.09 -0.29 115.31 121.60 1wsu h LEU 557 Ca 0.06 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1wsu h LEU 557 Cb 0.61 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1wsu h LEU 557 CO 0.04 0.28 -0.13 0.58 0.09 0.00 0.00 178.44 179.29 1wsu h VAL 558 N 0.18 1.34 -0.77 1.22 2.07 -0.66 0.26 116.25 119.90 1wsu h VAL 558 Ca 0.04 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 1wsu h VAL 558 Cb 0.25 1.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 1wsu h VAL 558 CO 0.01 0.38 0.45 0.03 0.02 0.00 0.00 177.57 178.46 1wsu h ARG 559 N -0.01 1.05 0.00 1.57 3.08 -0.65 0.50 114.38 119.92 1wsu h ARG 559 Ca 0.03 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1wsu h ARG 559 Cb 0.66 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1wsu h ARG 559 CO 0.03 0.75 0.00 0.39 -1.07 0.00 0.00 179.97 180.08 1wsu n GLU 560 N -4.37 0.79 -1.12 0.04 -0.58 -0.17 -4.86 120.64 110.37 1wsu n GLU 560 Ca 0.08 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.78 1wsu n GLU 560 Cb 0.08 -1.38 -0.02 0.00 -0.57 0.00 0.00 31.44 29.55 1wsu n GLU 560 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wsu n GLY 561 N 0.51 0.68 0.13 0.62 0.00 0.17 -4.92 105.19 102.37 1wsu n GLY 561 Ca 0.14 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.47 1wsu n GLY 561 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wsu h VAL 562 N 0.00 0.81 -2.17 1.61 2.07 -0.66 -3.44 116.25 114.47 1wsu h VAL 562 Ca -0.08 -2.49 -0.61 0.00 0.82 0.00 0.00 66.70 64.33 1wsu h VAL 562 Cb 0.37 2.61 -0.14 0.00 -1.52 0.00 0.00 31.29 32.62 1wsu h VAL 562 CO 0.12 0.84 -0.75 -0.76 0.02 0.00 0.00 177.57 177.04 1wsu s LEU 563 N -7.02 2.62 -0.04 2.57 1.43 -0.98 -1.60 118.68 115.66 1wsu s LEU 563 Ca -0.17 -1.05 0.01 0.00 -1.03 0.00 0.00 54.13 51.89 1wsu s LEU 563 Cb 0.06 -1.09 0.02 0.00 0.03 0.00 0.00 46.19 45.21 1wsu s LEU 563 CO 0.81 0.00 -0.04 -0.69 0.23 0.00 0.00 176.35 176.66 1wsu s VAL 564 N -2.52 0.50 -0.21 -1.59 1.01 0.18 -4.19 120.40 113.58 1wsu s VAL 564 Ca 0.30 -0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 1wsu s VAL 564 Cb -0.04 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.83 1wsu s VAL 564 CO 0.15 0.21 1.03 -0.75 0.00 0.00 0.00 175.10 175.74 1wsu s LYS 565 N 0.81 4.29 -0.15 2.72 2.20 -1.26 -0.79 119.74 127.56 1wsu s LYS 565 Ca -0.11 1.36 -0.08 0.00 -0.36 0.00 0.00 55.97 56.78 1wsu s LYS 565 Cb -0.13 -3.62 -0.24 0.00 -1.51 0.00 0.00 37.83 32.32 1wsu s LYS 565 CO 0.00 -0.57 0.27 -0.89 -0.36 0.00 0.00 175.35 173.80 1wsu n ILE 566 N 5.17 1.72 -3.79 5.43 2.08 -0.25 -4.96 119.36 124.76 1wsu n ILE 566 Ca 0.11 -0.56 -0.03 0.00 0.56 0.00 0.00 62.75 62.83 1wsu n ILE 566 Cb 0.47 -1.74 -0.00 0.00 -0.75 0.00 0.00 39.64 37.61 1wsu n ILE 566 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1wsu s ASN 567 N -6.98 -0.11 0.60 4.38 2.20 -0.87 -4.70 114.94 109.46 1wsu s ASN 567 Ca -0.25 -0.49 0.29 0.00 -0.94 0.00 0.00 52.86 51.47 1wsu s ASN 567 Cb 0.07 0.48 1.49 0.00 -2.00 0.00 0.00 41.25 41.29 1wsu s ASN 567 CO 0.72 -0.91 1.90 0.44 -2.94 0.00 0.00 177.10 176.32 1wsu h ASP 568 N 2.00 0.00 0.08 3.54 5.19 -2.03 -2.46 116.42 122.75 1wsu h ASP 568 Ca -0.26 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 55.86 1wsu h ASP 568 Cb 1.23 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.72 1wsu h ASP 568 CO 0.29 0.00 -1.56 -0.08 -3.12 0.00 0.00 179.24 174.78 1wsu h GLU 569 N 0.00 0.17 -5.20 3.56 4.81 -2.00 -3.45 114.58 112.47 1wsu h GLU 569 Ca 0.19 -0.28 -0.65 0.00 -0.13 0.00 0.00 59.36 58.48 1wsu h GLU 569 Cb 1.11 0.11 -0.26 0.00 0.63 0.00 0.00 28.75 30.34 1wsu h GLU 569 CO -0.00 1.14 -0.72 -0.06 -0.73 0.00 0.00 179.01 178.63 1wsu s PHE 570 N -2.46 2.93 0.07 0.92 0.40 -0.92 -2.10 117.98 116.80 1wsu s PHE 570 Ca -0.24 -0.64 0.04 0.00 -0.60 0.00 0.00 56.93 55.49 1wsu s PHE 570 Cb 0.06 -1.97 -0.04 0.00 0.51 0.00 0.00 43.02 41.58 1wsu s PHE 570 CO 0.71 -0.28 -0.01 0.71 0.70 0.00 0.00 175.22 177.06 1wsu s TYR 571 N 0.74 3.00 0.06 0.36 1.51 -1.26 -1.09 117.35 120.66 1wsu s TYR 571 Ca -0.03 -0.01 0.08 0.00 -1.01 0.00 0.00 57.07 56.10 1wsu s TYR 571 Cb -0.15 -1.57 -0.03 0.00 -0.11 0.00 0.00 41.96 40.11 1wsu s TYR 571 CO 0.02 0.47 -0.22 -1.58 -1.11 0.00 0.00 175.55 173.13 1wsu s TRP 572 N -1.25 1.90 0.30 2.71 0.52 0.03 -4.81 118.94 118.35 1wsu s TRP 572 Ca 0.24 -0.39 -0.29 0.00 0.02 0.00 0.00 56.10 55.68 1wsu s TRP 572 Cb -0.12 -1.12 -0.10 0.00 -1.15 0.00 0.00 33.47 30.99 1wsu s TRP 572 CO 0.16 0.12 1.31 -1.58 0.02 0.00 0.00 176.95 176.99 1wsu s HIS 573 N -0.87 3.11 0.28 -1.98 5.65 -1.26 -0.65 115.29 119.57 1wsu s HIS 573 Ca 0.08 1.35 0.02 0.00 0.25 0.00 0.00 55.06 56.76 1wsu s HIS 573 Cb -0.09 -3.66 0.59 0.00 -1.18 0.00 0.00 32.58 28.23 1wsu s HIS 573 CO 0.02 -1.89 1.81 -0.09 -0.65 0.00 0.00 174.74 173.95 1wsu h ARG 574 N 3.93 0.88 -0.32 2.88 2.43 -1.59 -1.32 114.38 121.26 1wsu h ARG 574 Ca -0.48 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 58.55 1wsu h ARG 574 Cb 1.22 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 1wsu h ARG 574 CO 0.69 0.58 -0.15 0.37 -1.51 0.00 0.00 179.97 179.95 1wsu h GLN 575 N 0.90 0.67 -0.64 0.20 5.75 -1.90 -1.26 115.11 118.84 1wsu h GLN 575 Ca 0.51 -0.29 0.08 0.00 -0.15 0.00 0.00 58.65 58.80 1wsu h GLN 575 Cb 0.59 -0.02 -0.06 0.00 1.07 0.00 0.00 27.48 29.06 1wsu h GLN 575 CO -0.30 0.89 0.30 0.00 -2.65 0.00 0.00 178.83 177.07 1wsu h ALA 576 N 0.77 0.85 -0.11 3.38 0.00 -1.66 -1.29 119.26 121.20 1wsu h ALA 576 Ca 0.07 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1wsu h ALA 576 Cb 0.68 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1wsu h ALA 576 CO 0.05 -0.08 0.07 1.25 0.00 0.00 0.00 179.25 180.53 1wsu h LEU 577 N 0.54 0.14 -1.13 0.00 5.85 -1.12 -0.63 115.31 118.97 1wsu h LEU 577 Ca 0.31 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 59.00 1wsu h LEU 577 Cb 0.30 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 1wsu h LEU 577 CO -0.25 0.16 0.59 1.23 -0.34 0.00 0.00 178.44 179.84 1wsu h GLY 578 N 0.10 1.30 1.16 3.75 0.00 -0.75 0.13 103.07 108.77 1wsu h GLY 578 Ca 0.04 -0.44 -0.18 0.00 0.00 0.00 0.00 47.33 46.74 1wsu h GLY 578 CO -0.01 0.38 -0.54 0.83 0.00 0.00 0.00 176.54 177.20 1wsu h GLU 579 N 1.12 0.89 -0.37 4.80 4.39 -0.96 -2.51 114.58 121.94 1wsu h GLU 579 Ca 0.36 -0.56 -0.04 0.00 0.34 0.00 0.00 59.36 59.47 1wsu h GLU 579 Cb 0.03 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1wsu h GLU 579 CO -0.11 1.19 0.07 0.00 -1.16 0.00 0.00 179.01 179.00 1wsu h ALA 580 N 0.70 1.44 -0.32 3.43 0.00 -0.42 -1.51 119.26 122.57 1wsu h ALA 580 Ca 0.02 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1wsu h ALA 580 Cb 1.15 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1wsu h ALA 580 CO 0.12 0.41 -0.12 0.00 0.00 0.00 0.00 179.25 179.66 1wsu h ARG 581 N 0.54 0.54 -0.33 0.00 3.08 -0.73 -0.40 114.38 117.08 1wsu h ARG 581 Ca 0.12 -0.16 -0.17 0.00 0.07 0.00 0.00 59.98 59.84 1wsu h ARG 581 Cb 0.24 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1wsu h ARG 581 CO -0.00 0.65 -0.47 1.49 -1.07 0.00 0.00 179.97 180.58 1wsu h GLU 582 N 0.50 0.90 -0.24 0.04 4.57 -0.92 0.47 114.58 119.90 1wsu h GLU 582 Ca 0.09 -0.52 -0.01 0.00 -1.18 0.00 0.00 59.36 57.74 1wsu h GLU 582 Cb 0.50 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 1wsu h GLU 582 CO 0.03 1.16 0.09 0.28 -1.18 0.00 0.00 179.01 179.39 1wsu h VAL 583 N 0.71 1.17 -0.67 0.32 2.07 -0.89 -2.11 116.25 116.85 1wsu h VAL 583 Ca 0.04 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 1wsu h VAL 583 Cb 1.06 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 1wsu h VAL 583 CO 0.11 0.17 0.25 0.40 0.02 0.00 0.00 177.57 178.52 1wsu h ILE 584 N 0.23 1.24 -0.32 4.57 2.04 -0.95 -1.38 117.51 122.94 1wsu h ILE 584 Ca 0.08 -0.77 0.03 0.00 1.00 0.00 0.00 64.86 65.20 1wsu h ILE 584 Cb 0.19 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 1wsu h ILE 584 CO -0.01 0.30 0.13 0.50 0.00 0.00 0.00 178.15 179.08 1wsu h LYS 585 N 0.97 0.28 -0.40 2.37 3.64 -0.63 -0.32 116.57 122.48 1wsu h LYS 585 Ca 0.22 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.52 1wsu h LYS 585 Cb 0.22 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1wsu h LYS 585 CO -0.02 0.18 -0.05 -0.91 -2.27 0.00 0.00 179.45 176.38 1wsu h ASN 586 N 0.28 0.64 -0.14 4.20 -0.26 -0.93 -2.57 115.58 116.80 1wsu h ASN 586 Ca 0.14 -0.16 -0.11 0.00 -0.56 0.00 0.00 56.30 55.61 1wsu h ASN 586 Cb 0.08 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.16 1wsu h ASN 586 CO -0.12 0.74 -0.28 0.25 -1.06 0.00 0.00 177.43 176.96 1wsu h LEU 587 N 0.62 0.63 0.00 1.61 5.85 -0.73 -2.82 115.31 120.47 1wsu h LEU 587 Ca 0.12 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1wsu h LEU 587 Cb 0.47 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1wsu h LEU 587 CO 0.02 0.88 0.00 0.00 -0.34 0.00 0.00 178.44 179.00 1wsu n ALA 588 N -2.50 2.03 -0.15 1.25 0.00 -0.18 -3.59 120.51 117.37 1wsu n ALA 588 Ca -0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 53.44 53.32 1wsu n ALA 588 Cb 0.44 -1.34 0.18 0.00 0.00 0.00 0.00 19.45 18.73 1wsu n ALA 588 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1wsu h SER 589 N 0.00 0.81 -0.24 0.00 0.02 -1.22 -2.88 113.55 110.03 1wsu h SER 589 Ca 0.00 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1wsu h SER 589 Cb 0.29 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1wsu h SER 589 CO 0.00 0.78 0.00 0.35 -1.14 0.00 0.00 176.83 176.82 1wsu n THR 590 N -4.28 0.32 0.00 -2.27 -2.24 -1.24 -5.02 114.28 99.56 1wsu n THR 590 Ca 0.04 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1wsu n THR 590 Cb 0.22 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1wsu n THR 590 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wsu n GLY 591 N 1.04 1.40 3.62 3.38 0.00 -1.09 -5.09 105.19 108.46 1wsu n GLY 591 Ca 0.13 -2.06 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 1wsu n GLY 591 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wsu n PRO 592 N -1.60 -0.33 -3.98 1.61 -0.02 -1.26 -4.51 135.00 124.91 1wsu n PRO 592 Ca 0.00 -0.03 -0.10 0.00 -2.02 0.00 0.00 63.50 61.35 1wsu n PRO 592 Cb 0.00 -2.27 -0.11 0.00 -0.02 0.00 0.00 33.50 31.09 1wsu n PRO 592 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1wsu s PHE 593 N -2.51 0.30 0.51 6.00 -0.12 -0.12 -4.87 117.98 117.17 1wsu s PHE 593 Ca 0.66 -0.45 0.02 0.00 -0.05 0.00 0.00 56.93 57.10 1wsu s PHE 593 Cb -0.24 -0.20 0.02 0.00 -0.63 0.00 0.00 43.02 41.97 1wsu s PHE 593 CO 0.59 -0.15 0.73 0.20 -0.05 0.00 0.00 175.22 176.54 1wsu s GLY 594 N -1.28 1.77 0.24 1.99 0.00 -1.26 -0.95 107.32 107.84 1wsu s GLY 594 Ca -0.13 -1.29 -0.04 0.00 0.00 0.00 0.00 44.72 43.26 1wsu s GLY 594 CO -0.01 -1.05 1.78 -2.00 0.00 0.00 0.00 173.10 171.83 1wsu h LEU 595 N 0.21 0.54 -1.29 0.66 5.85 -1.98 -1.69 115.31 117.61 1wsu h LEU 595 Ca -0.43 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 1wsu h LEU 595 Cb 1.28 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 1wsu h LEU 595 CO 0.53 0.28 0.33 0.00 -0.34 0.00 0.00 178.44 179.23 1wsu h ALA 596 N 1.49 1.46 -0.01 1.25 0.00 -1.96 -0.58 119.26 120.90 1wsu h ALA 596 Ca 0.41 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 55.05 1wsu h ALA 596 Cb 0.47 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1wsu h ALA 596 CO -0.30 0.45 -0.80 0.93 0.00 0.00 0.00 179.25 179.53 1wsu h GLU 597 N 0.83 0.15 -0.45 0.00 5.08 -1.72 -1.19 114.58 117.28 1wsu h GLU 597 Ca 0.21 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 1wsu h GLU 597 Cb 0.02 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1wsu h GLU 597 CO -0.04 0.87 -0.17 0.00 -1.00 0.00 0.00 179.01 178.68 1wsu h ALA 598 N 1.08 0.86 0.11 3.43 0.00 -0.77 0.54 119.26 124.51 1wsu h ALA 598 Ca -0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1wsu h ALA 598 Cb 1.40 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1wsu h ALA 598 CO 0.12 0.64 -0.05 -0.09 0.00 0.00 0.00 179.25 179.86 1wsu h ARG 599 N 0.76 -0.15 -0.40 0.00 1.12 -0.97 -1.28 114.38 113.46 1wsu h ARG 599 Ca 0.11 0.01 0.04 0.00 -1.11 0.00 0.00 59.98 59.04 1wsu h ARG 599 Cb 0.70 0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 30.65 1wsu h ARG 599 CO 0.05 0.11 0.16 -0.44 -3.11 0.00 0.00 179.97 176.74 1wsu h ASP 600 N -0.39 0.19 -0.53 -3.80 3.32 -1.08 0.26 116.42 114.39 1wsu h ASP 600 Ca -0.02 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.11 1wsu h ASP 600 Cb 0.32 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1wsu h ASP 600 CO 0.03 0.15 0.35 0.00 -1.72 0.00 0.00 179.24 178.04 1wsu h ALA 601 N 1.25 1.80 0.00 3.45 0.00 -0.75 -2.42 119.26 122.58 1wsu h ALA 601 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1wsu h ALA 601 Cb 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1wsu h ALA 601 CO -0.17 0.13 -0.83 1.28 0.00 0.00 0.00 179.25 179.66 1wsu n LEU 602 N -4.47 0.68 -1.26 0.00 4.77 -0.50 -4.94 117.00 111.28 1wsu n LEU 602 Ca 0.06 -0.16 -0.14 0.00 -0.03 0.00 0.00 56.01 55.75 1wsu n LEU 602 Cb 0.18 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 1wsu n LEU 602 CO 0.35 0.14 -0.15 0.61 -1.33 0.00 0.00 177.39 177.00 1wsu n GLY 603 N 1.46 0.77 0.00 -0.72 0.00 0.84 -4.99 105.19 102.55 1wsu n GLY 603 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1wsu n GLY 603 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wsu n SER 604 N -0.38 0.00 -3.98 1.61 2.88 -1.01 -5.04 113.62 107.70 1wsu n SER 604 Ca -0.15 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.31 1wsu n SER 604 Cb 0.52 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.89 1wsu n SER 604 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wsu s SER 605 N -0.79 0.31 0.27 -3.46 1.04 -1.26 -4.85 113.70 104.95 1wsu s SER 605 Ca 0.00 -0.82 0.01 0.00 0.48 0.00 0.00 55.95 55.62 1wsu s SER 605 Cb 0.00 0.26 0.58 0.00 0.10 0.00 0.00 66.02 66.96 1wsu s SER 605 CO 0.00 -0.65 1.76 0.03 0.98 0.00 0.00 173.24 175.36 1wsu h ARG 606 N 3.01 0.63 -0.80 4.02 3.08 -1.97 0.70 114.38 123.06 1wsu h ARG 606 Ca -0.34 -0.04 0.15 0.00 0.07 0.00 0.00 59.98 59.83 1wsu h ARG 606 Cb 1.17 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 31.02 1wsu h ARG 606 CO 0.61 0.42 0.53 -0.22 -1.07 0.00 0.00 179.97 180.24 1wsu h LYS 607 N 0.65 0.47 0.00 0.04 3.64 -2.01 -1.08 116.57 118.28 1wsu h LYS 607 Ca 0.49 -0.03 -0.34 0.00 -1.27 0.00 0.00 60.65 59.50 1wsu h LYS 607 Cb 0.71 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.37 1wsu h LYS 607 CO -0.37 0.31 -2.13 0.66 -2.27 0.00 0.00 179.45 175.65 1wsu n TYR 608 N -4.50 0.38 0.05 1.91 4.02 -0.02 -4.46 117.16 114.53 1wsu n TYR 608 Ca 0.16 0.14 -0.20 0.00 -0.01 0.00 0.00 57.90 57.98 1wsu n TYR 608 Cb 0.53 -1.07 -0.14 0.00 -0.02 0.00 0.00 39.34 38.65 1wsu n TYR 608 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1wsu h VAL 609 N 0.00 1.46 -0.42 -0.72 2.07 -0.71 -3.29 116.25 114.65 1wsu h VAL 609 Ca -0.45 -2.42 0.07 0.00 0.82 0.00 0.00 66.70 64.72 1wsu h VAL 609 Cb 2.15 3.01 -0.06 0.00 -1.52 0.00 0.00 31.29 34.87 1wsu h VAL 609 CO 0.05 0.70 0.06 0.25 0.02 0.00 0.00 177.57 178.65 1wsu h LEU 610 N -0.23 -0.04 -2.14 2.57 5.85 -1.44 -1.06 115.31 118.82 1wsu h LEU 610 Ca -0.14 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1wsu h LEU 610 Cb 1.61 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.76 1wsu h LEU 610 CO 0.16 0.01 -0.01 -0.65 -0.34 0.00 0.00 178.44 177.61 1wsu h PRO 611 N 0.18 0.00 -0.09 5.25 0.11 -1.78 -0.48 132.00 135.20 1wsu h PRO 611 Ca 0.20 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.20 1wsu h PRO 611 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.38 1wsu h PRO 611 CO -0.29 0.01 -0.39 1.25 -0.21 0.00 0.00 178.00 178.37 1wsu h LEU 612 N 0.00 0.49 -0.93 2.35 5.85 -1.31 -2.52 115.31 119.24 1wsu h LEU 612 Ca -0.00 -0.64 -0.10 0.00 0.84 0.00 0.00 57.88 57.98 1wsu h LEU 612 Cb 0.02 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1wsu h LEU 612 CO 0.00 1.05 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.80 1wsu h LEU 613 N -0.03 0.45 -0.86 2.25 3.38 -0.50 0.88 115.31 120.87 1wsu h LEU 613 Ca -0.02 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 1wsu h LEU 613 Cb 1.04 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1wsu h LEU 613 CO 0.08 0.72 -0.25 -0.33 0.09 0.00 0.00 178.44 178.75 1wsu h GLU 614 N 0.39 0.56 -0.41 1.13 5.08 -1.15 -0.24 114.58 119.94 1wsu h GLU 614 Ca 0.05 -0.22 -0.12 0.00 -1.00 0.00 0.00 59.36 58.08 1wsu h GLU 614 Cb 0.70 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1wsu h GLU 614 CO 0.05 0.76 -0.21 -0.92 -1.00 0.00 0.00 179.01 177.69 1wsu h TYR 615 N 0.49 1.00 -0.13 4.33 3.20 -0.96 -2.02 116.97 122.87 1wsu h TYR 615 Ca 0.07 -0.25 -0.10 0.00 3.14 0.00 0.00 58.73 61.59 1wsu h TYR 615 Cb 0.70 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 1wsu h TYR 615 CO 0.03 1.03 -0.36 -0.07 -1.64 0.00 0.00 178.16 177.14 1wsu h LEU 616 N 0.68 0.27 -0.52 2.82 3.38 -0.42 -1.82 115.31 119.70 1wsu h LEU 616 Ca 0.09 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1wsu h LEU 616 Cb 0.78 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1wsu h LEU 616 CO 0.06 0.62 0.02 0.44 0.09 0.00 0.00 178.44 179.67 1wsu h ASP 617 N 0.22 0.88 -0.79 -0.43 3.32 -0.90 0.03 116.42 118.75 1wsu h ASP 617 Ca 0.03 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 1wsu h ASP 617 Cb 0.75 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 1wsu h ASP 617 CO 0.06 0.96 0.45 -0.61 -1.72 0.00 0.00 179.24 178.37 1wsu h GLN 618 N 0.77 1.10 -0.36 3.56 5.75 -0.85 -0.94 115.11 124.15 1wsu h GLN 618 Ca 0.15 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1wsu h GLN 618 Cb 0.49 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.82 1wsu h GLN 618 CO 0.02 0.80 0.00 1.33 -2.65 0.00 0.00 178.83 178.33 1wsu n VAL 619 N -4.35 0.47 -3.06 2.39 0.24 -0.73 -4.93 118.33 108.36 1wsu n VAL 619 Ca 0.08 -0.52 -0.19 0.00 -2.04 0.00 0.00 64.34 61.67 1wsu n VAL 619 Cb 0.09 0.35 0.04 0.00 -1.47 0.00 0.00 33.84 32.85 1wsu n VAL 619 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1wsu n LYS 620 N 0.69 -4.89 0.03 7.34 5.02 -0.36 -4.90 118.16 121.09 1wsu n LYS 620 Ca 0.15 0.73 -0.19 0.00 -2.02 0.00 0.00 58.31 56.98 1wsu n LYS 620 Cb 0.37 -5.28 -0.14 0.00 -0.02 0.00 0.00 35.03 29.95 1wsu n LYS 620 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1wsu h PHE 621 N -1.51 0.45 -2.92 2.13 3.57 -1.24 -3.38 116.94 114.05 1wsu h PHE 621 Ca -0.45 -0.33 -0.45 0.00 3.53 0.00 0.00 57.97 60.28 1wsu h PHE 621 Cb 1.30 -0.02 -0.14 0.00 2.79 0.00 0.00 35.95 39.88 1wsu h PHE 621 CO 0.43 1.55 -0.67 0.95 -2.23 0.00 0.00 178.31 178.33 1wsu s THR 622 N -2.58 1.40 -0.04 4.41 -4.23 -1.12 -1.27 115.64 112.20 1wsu s THR 622 Ca -0.15 -2.09 0.01 0.00 -1.18 0.00 0.00 61.69 58.28 1wsu s THR 622 Cb 0.07 -2.39 0.02 0.00 1.34 0.00 0.00 72.50 71.54 1wsu s THR 622 CO 0.82 -0.32 -0.04 -0.60 -0.54 0.00 0.00 174.62 173.93 1wsu s ARG 623 N -3.78 0.79 -0.17 3.99 3.52 -0.13 -4.09 118.95 119.08 1wsu s ARG 623 Ca 0.29 -0.10 -0.18 0.00 -0.13 0.00 0.00 55.73 55.61 1wsu s ARG 623 Cb 0.04 -0.81 -0.04 0.00 -1.56 0.00 0.00 34.95 32.59 1wsu s ARG 623 CO 0.10 -0.08 0.51 0.50 -0.81 0.00 0.00 175.30 175.52 1wsu s ARG 624 N 0.90 4.25 -0.23 5.12 3.52 -1.26 -1.73 118.95 129.51 1wsu s ARG 624 Ca -0.11 0.43 0.02 0.00 -0.13 0.00 0.00 55.73 55.94 1wsu s ARG 624 Cb -0.14 -3.51 0.05 0.00 -1.56 0.00 0.00 34.95 29.78 1wsu s ARG 624 CO 0.00 -0.03 -0.12 0.08 -0.81 0.00 0.00 175.30 174.42 1wsu s VAL 625 N 1.25 1.94 0.00 7.11 1.01 -0.34 -4.98 120.40 126.39 1wsu s VAL 625 Ca 0.25 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 60.93 1wsu s VAL 625 Cb -0.15 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1wsu s VAL 625 CO 0.10 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1wsu n GLY 626 N 4.56 2.57 0.83 4.51 0.00 -1.26 -2.44 105.19 113.96 1wsu n GLY 626 Ca -0.15 -0.29 0.02 0.00 0.00 0.00 0.00 46.02 45.59 1wsu n GLY 626 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wsu n ASP 627 N 7.63 2.03 -4.24 1.61 10.43 -1.26 -5.00 116.55 127.75 1wsu n ASP 627 Ca 0.00 -3.85 -0.16 0.00 2.57 0.00 0.00 54.79 53.35 1wsu n ASP 627 Cb 0.00 -0.57 -0.10 0.00 1.84 0.00 0.00 41.12 42.29 1wsu n ASP 627 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1wsu s LYS 628 N -3.24 1.42 0.09 -1.24 -0.14 -1.02 -4.52 119.74 111.10 1wsu s LYS 628 Ca 0.41 -1.78 0.02 0.00 -1.36 0.00 0.00 55.97 53.26 1wsu s LYS 628 Cb 0.38 -0.16 -0.04 0.00 -1.68 0.00 0.00 37.83 36.33 1wsu s LYS 628 CO -0.04 -0.34 -0.06 1.03 -0.76 0.00 0.00 175.35 175.18 1wsu s ARG 629 N -4.01 0.82 0.01 1.68 0.52 -0.13 -1.20 118.95 116.64 1wsu s ARG 629 Ca 0.37 -1.32 0.02 0.00 -0.52 0.00 0.00 55.73 54.28 1wsu s ARG 629 Cb 0.07 -0.19 -0.01 0.00 0.52 0.00 0.00 34.95 35.35 1wsu s ARG 629 CO 0.14 -0.02 -0.06 0.54 0.02 0.00 0.00 175.30 175.93 1wsu s VAL 630 N -3.59 0.41 -0.14 3.52 0.11 -0.71 -0.95 120.40 119.06 1wsu s VAL 630 Ca 0.11 -0.48 -0.20 0.00 -2.93 0.00 0.00 61.98 58.48 1wsu s VAL 630 Cb 0.05 -0.40 -0.03 0.00 -1.53 0.00 0.00 36.38 34.47 1wsu s VAL 630 CO -0.05 -0.06 0.59 -0.69 -3.33 0.00 0.00 175.10 171.57 1wsu s VAL 631 N -0.52 5.09 -0.10 2.04 1.01 -1.26 -0.96 120.40 125.70 1wsu s VAL 631 Ca -0.02 1.16 0.13 0.00 0.00 0.00 0.00 61.98 63.25 1wsu s VAL 631 Cb -0.04 -3.92 -0.18 0.00 0.00 0.00 0.00 36.38 32.23 1wsu s VAL 631 CO -0.00 0.22 0.13 1.33 0.00 0.00 0.00 175.10 176.78 1wsu n VAL 632 N 4.12 0.64 -3.00 2.92 0.24 -0.40 -4.98 118.33 117.88 1wsu n VAL 632 Ca -0.03 -0.49 -0.10 0.00 -2.04 0.00 0.00 64.34 61.68 1wsu n VAL 632 Cb 0.51 -0.40 0.03 0.00 -1.47 0.00 0.00 33.84 32.51 1wsu n VAL 632 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wsu n GLY 633 N 2.03 1.90 0.00 7.63 0.00 -0.56 -5.04 105.19 111.15 1wsu n GLY 633 Ca -0.16 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.69 1wsu n GLY 633 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48