#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wsu h SER 512 N 0.00 0.42 0.58 1.61 4.64 -2.05 -2.23 113.55 116.52 1wsu h SER 512 Ca 0.00 -0.73 -0.05 0.00 -0.47 0.00 0.00 61.79 60.55 1wsu h SER 512 Cb 0.00 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1wsu h SER 512 CO 0.00 1.09 -0.22 -0.08 -0.87 0.00 0.00 176.83 176.74 1wsu h GLU 513 N -0.21 0.00 -0.23 4.77 4.81 -2.05 -0.78 114.58 120.90 1wsu h GLU 513 Ca -0.05 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.03 1wsu h GLU 513 Cb 1.13 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1wsu h GLU 513 CO 0.09 0.22 -0.49 1.15 -0.73 0.00 0.00 179.01 179.25 1wsu h THR 514 N 0.00 1.31 -0.22 0.32 2.02 -1.98 -1.62 112.91 112.73 1wsu h THR 514 Ca -0.00 -1.70 -0.20 0.00 0.77 0.00 0.00 66.41 65.28 1wsu h THR 514 Cb 0.57 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 1wsu h THR 514 CO 0.03 0.54 -0.63 -0.61 0.37 0.00 0.00 175.52 175.21 1wsu h GLN 515 N 0.48 0.79 -0.99 6.66 5.75 -0.77 -2.23 115.11 124.79 1wsu h GLN 515 Ca 0.02 -0.55 0.02 0.00 -0.15 0.00 0.00 58.65 57.99 1wsu h GLN 515 Cb 1.03 0.09 -0.05 0.00 1.07 0.00 0.00 27.48 29.61 1wsu h GLN 515 CO 0.10 1.17 0.65 0.87 -2.65 0.00 0.00 178.83 178.97 1wsu h LYS 516 N 0.58 1.27 -0.35 1.69 1.79 -0.99 -1.61 116.57 118.95 1wsu h LYS 516 Ca -0.01 -0.08 -0.05 0.00 -2.18 0.00 0.00 60.65 58.33 1wsu h LYS 516 Cb 1.24 -0.29 -0.01 0.00 -1.58 0.00 0.00 32.23 31.59 1wsu h LYS 516 CO 0.13 0.84 0.02 -0.22 -1.08 0.00 0.00 179.45 179.15 1wsu h LYS 517 N 1.31 0.61 -0.78 3.15 3.64 -1.18 -2.47 116.57 120.84 1wsu h LYS 517 Ca 0.38 -0.18 0.12 0.00 -1.27 0.00 0.00 60.65 59.69 1wsu h LYS 517 Cb -0.09 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.61 1wsu h LYS 517 CO -0.10 0.70 0.51 1.25 -2.27 0.00 0.00 179.45 179.55 1wsu h LEU 518 N 0.43 0.57 -0.68 5.20 5.85 -0.74 0.17 115.31 126.11 1wsu h LEU 518 Ca 0.10 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.70 1wsu h LEU 518 Cb 0.41 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1wsu h LEU 518 CO 0.01 0.32 -0.60 -0.07 -0.34 0.00 0.00 178.44 177.77 1wsu h LEU 519 N 0.63 0.23 -0.72 2.25 3.38 -1.03 -1.28 115.31 118.77 1wsu h LEU 519 Ca 0.37 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 58.08 1wsu h LEU 519 Cb 0.59 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1wsu h LEU 519 CO -0.14 0.77 -0.61 0.11 0.09 0.00 0.00 178.44 178.66 1wsu h LYS 520 N 0.15 0.10 0.00 1.13 1.79 -0.34 -2.13 116.57 117.27 1wsu h LYS 520 Ca -0.01 -0.07 -0.14 0.00 -2.18 0.00 0.00 60.65 58.25 1wsu h LYS 520 Cb 1.09 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.73 1wsu h LYS 520 CO 0.09 0.68 -0.67 -0.44 -1.08 0.00 0.00 179.45 178.03 1wsu h ASP 521 N 0.07 0.00 -0.05 0.86 3.32 -0.59 -1.59 116.42 118.46 1wsu h ASP 521 Ca -0.01 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 1wsu h ASP 521 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1wsu h ASP 521 CO 0.09 0.67 -0.10 -0.07 -1.72 0.00 0.00 179.24 178.10 1wsu h LEU 522 N 0.00 0.17 -0.21 1.55 3.38 -1.09 -2.23 115.31 116.88 1wsu h LEU 522 Ca -0.01 -0.58 0.05 0.00 0.09 0.00 0.00 57.88 57.43 1wsu h LEU 522 Cb 1.40 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 42.06 1wsu h LEU 522 CO 0.09 0.72 -0.11 -0.08 0.09 0.00 0.00 178.44 179.15 1wsu h GLU 523 N -0.38 -0.08 -0.93 1.13 4.81 -1.39 -1.50 114.58 116.24 1wsu h GLU 523 Ca -0.00 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.34 1wsu h GLU 523 Cb 0.70 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.03 1wsu h GLU 523 CO 0.02 -0.06 0.60 -0.44 -0.73 0.00 0.00 179.01 178.40 1wsu h ASP 524 N -0.09 0.83 -0.77 1.04 3.45 -1.30 0.19 116.42 119.77 1wsu h ASP 524 Ca 0.11 0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.59 1wsu h ASP 524 Cb 0.26 -0.14 -0.04 0.00 -0.56 0.00 0.00 39.33 38.85 1wsu h ASP 524 CO -0.26 0.47 0.44 0.50 -1.57 0.00 0.00 179.24 178.82 1wsu h LYS 525 N 0.91 1.07 0.00 3.56 1.63 -0.64 0.87 116.57 123.97 1wsu h LYS 525 Ca 0.44 -0.11 -0.20 0.00 -0.85 0.00 0.00 60.65 59.93 1wsu h LYS 525 Cb 0.45 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 31.83 1wsu h LYS 525 CO -0.20 0.77 -0.97 1.88 -3.45 0.00 0.00 179.45 177.48 1wsu h TYR 526 N 1.08 0.00 -0.08 1.91 -1.99 -0.27 -2.57 116.97 115.06 1wsu h TYR 526 Ca 0.28 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.98 1wsu h TYR 526 Cb -0.00 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.73 1wsu h TYR 526 CO 0.01 0.97 -0.06 -0.09 -0.00 0.00 0.00 178.16 178.99 1wsu h ARG 527 N 0.00 0.18 0.06 4.88 2.43 -0.28 -1.61 114.38 120.03 1wsu h ARG 527 Ca -0.01 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1wsu h ARG 527 Cb 1.74 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.29 1wsu h ARG 527 CO 0.13 0.59 -0.03 0.28 -1.51 0.00 0.00 179.97 179.43 1wsu h VAL 528 N -0.24 1.06 0.00 0.20 2.07 -0.94 -2.97 116.25 115.44 1wsu h VAL 528 Ca 0.01 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1wsu h VAL 528 Cb 0.55 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1wsu h VAL 528 CO 0.02 0.09 -0.06 0.28 0.02 0.00 0.00 177.57 177.92 1wsu h SER 529 N -0.24 0.00 0.00 0.57 0.02 -1.50 -3.46 113.55 108.94 1wsu h SER 529 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1wsu h SER 529 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1wsu h SER 529 CO 0.01 0.06 0.00 0.54 -1.14 0.00 0.00 176.83 176.31 1wsu n ARG 530 N -3.39 0.00 -0.07 3.45 1.74 -0.61 -1.19 116.66 116.58 1wsu n ARG 530 Ca -0.02 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.18 1wsu n ARG 530 Cb 0.21 0.00 0.35 0.00 -1.02 0.00 0.00 32.46 32.00 1wsu n ARG 530 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1wsu n TRP 531 N 0.00 0.19 -3.14 -1.55 8.01 -1.26 -4.00 117.44 115.69 1wsu n TRP 531 Ca 0.00 -0.10 -0.20 0.00 -1.31 0.00 0.00 57.50 55.89 1wsu n TRP 531 Cb 0.00 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 29.26 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 0.60 1.42 -1.80 -0.99 3.00 -0.34 -4.82 117.38 114.46 1wsu n GLN 532 Ca 0.17 -3.68 -0.37 0.00 -0.01 0.00 0.00 57.00 53.11 1wsu n GLN 532 Cb 0.41 -1.79 0.06 0.00 0.00 0.00 0.00 30.24 28.92 1wsu n GLN 532 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1wsu s PRO 533 N -2.56 2.75 0.68 -1.09 0.04 -1.25 -4.83 135.00 128.75 1wsu s PRO 533 Ca 0.41 2.05 -0.13 0.00 0.04 0.00 0.00 61.00 63.38 1wsu s PRO 533 Cb 0.32 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.93 1wsu s PRO 533 CO -0.09 -1.44 1.08 -1.25 0.04 0.00 0.00 177.00 175.33 1wsu s PRO 534 N -3.27 2.82 0.80 0.56 0.04 -1.26 -4.99 135.00 129.70 1wsu s PRO 534 Ca 0.80 1.15 -0.10 0.00 0.04 0.00 0.00 61.00 62.88 1wsu s PRO 534 Cb -0.37 -1.97 0.10 0.00 0.04 0.00 0.00 34.50 32.31 1wsu s PRO 534 CO 0.40 -1.20 1.14 -1.54 0.04 0.00 0.00 177.00 175.84 1wsu s SER 535 N -3.23 4.31 0.13 6.66 1.04 -1.26 -4.59 113.70 116.76 1wsu s SER 535 Ca 0.62 0.49 -0.25 0.00 0.48 0.00 0.00 55.95 57.29 1wsu s SER 535 Cb -0.16 -0.94 -0.04 0.00 0.10 0.00 0.00 66.02 64.98 1wsu s SER 535 CO 0.48 -1.97 1.64 0.15 0.98 0.00 0.00 173.24 174.52 1wsu h PHE 536 N -0.99 -0.64 -0.64 5.02 3.57 -1.42 -1.83 116.94 120.01 1wsu h PHE 536 Ca -0.45 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.19 1wsu h PHE 536 Cb 1.30 0.29 -0.09 0.00 2.79 0.00 0.00 35.95 40.25 1wsu h PHE 536 CO -0.02 -0.33 0.19 0.87 -2.23 0.00 0.00 178.31 176.79 1wsu h LYS 537 N -0.35 0.32 -0.70 1.11 1.57 -1.93 -1.72 116.57 114.87 1wsu h LYS 537 Ca 0.07 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1wsu h LYS 537 Cb 0.46 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1wsu h LYS 537 CO -0.24 0.21 0.30 0.93 -0.57 0.00 0.00 179.45 180.08 1wsu h GLU 538 N 0.33 1.03 -0.65 3.15 5.08 -1.82 -2.30 114.58 119.40 1wsu h GLU 538 Ca 0.34 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 1wsu h GLU 538 Cb 0.49 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1wsu h GLU 538 CO -0.38 0.83 0.15 0.28 -1.00 0.00 0.00 179.01 178.89 1wsu h VAL 539 N 0.98 1.26 -0.17 3.13 2.07 -0.66 -1.76 116.25 121.10 1wsu h VAL 539 Ca 0.24 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.82 1wsu h VAL 539 Cb 0.17 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1wsu h VAL 539 CO -0.02 0.36 0.06 0.00 0.02 0.00 0.00 177.57 177.98 1wsu h ALA 540 N 1.06 0.18 -0.45 1.67 0.00 -1.10 -1.52 119.26 119.10 1wsu h ALA 540 Ca 0.20 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1wsu h ALA 540 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1wsu h ALA 540 CO 0.00 -0.38 0.27 0.78 0.00 0.00 0.00 179.25 179.92 1wsu h GLY 541 N 0.14 0.66 0.95 0.00 0.00 -1.25 0.18 103.07 103.74 1wsu h GLY 541 Ca 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1wsu h GLY 541 CO -0.07 0.27 0.16 1.76 0.00 0.00 0.00 176.54 178.66 1wsu h SER 542 N 0.60 0.40 -0.28 0.19 0.02 -1.07 -2.76 113.55 110.65 1wsu h SER 542 Ca 0.16 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1wsu h SER 542 Cb 0.01 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1wsu h SER 542 CO -0.03 0.39 0.00 0.49 -1.14 0.00 0.00 176.83 176.54 1wsu n PHE 543 N -4.79 0.36 -3.61 3.45 3.01 -0.59 -4.95 117.46 110.34 1wsu n PHE 543 Ca -0.02 -0.18 -0.27 0.00 1.01 0.00 0.00 57.45 58.00 1wsu n PHE 543 Cb 0.09 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.60 1wsu n PHE 543 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1wsu n ASN 544 N 0.82 -4.80 -4.49 4.37 5.03 0.42 -4.99 115.26 111.61 1wsu n ASN 544 Ca 0.17 -0.93 -0.28 0.00 0.87 0.00 0.00 54.58 54.42 1wsu n ASN 544 Cb 0.44 -3.83 -0.11 0.00 -1.02 0.00 0.00 39.78 35.26 1wsu n ASN 544 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1wsu s LEU 545 N -6.30 2.69 0.19 3.41 1.43 0.01 -5.03 118.68 115.07 1wsu s LEU 545 Ca 0.39 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.69 1wsu s LEU 545 Cb -0.12 -1.44 -0.07 0.00 0.03 0.00 0.00 46.19 44.59 1wsu s LEU 545 CO 0.83 0.13 0.54 -0.62 0.23 0.00 0.00 176.35 177.46 1wsu s ASP 546 N -2.58 6.70 0.24 2.29 2.15 -1.26 -4.65 116.67 119.57 1wsu s ASP 546 Ca 0.21 0.97 -0.12 0.00 0.43 0.00 0.00 52.55 54.05 1wsu s ASP 546 Cb -0.09 -2.25 0.33 0.00 -0.30 0.00 0.00 42.92 40.62 1wsu s ASP 546 CO 0.12 0.01 1.58 -0.65 -0.17 0.00 0.00 175.17 176.06 1wsu h PRO 547 N 3.02 -0.02 -0.73 4.34 0.11 -1.98 0.13 132.00 136.87 1wsu h PRO 547 Ca -0.48 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.79 1wsu h PRO 547 Cb 1.18 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.19 1wsu h PRO 547 CO 0.68 -0.01 0.19 0.66 -0.21 0.00 0.00 178.00 179.30 1wsu h SER 548 N -0.02 0.04 -0.04 -2.05 4.64 -1.99 0.22 113.55 114.35 1wsu h SER 548 Ca 0.39 0.14 -0.03 0.00 -0.47 0.00 0.00 61.79 61.82 1wsu h SER 548 Cb 0.62 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1wsu h SER 548 CO -0.88 -0.02 -0.08 -0.33 -0.87 0.00 0.00 176.83 174.66 1wsu h GLU 549 N 0.29 0.12 -0.56 4.77 5.08 -1.20 -3.06 114.58 120.02 1wsu h GLU 549 Ca 0.41 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.71 1wsu h GLU 549 Cb 0.68 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1wsu h GLU 549 CO -0.49 0.66 0.35 1.25 -1.00 0.00 0.00 179.01 179.78 1wsu h LEU 550 N -0.40 0.59 -0.84 1.33 5.85 -0.52 -0.69 115.31 120.63 1wsu h LEU 550 Ca 0.00 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1wsu h LEU 550 Cb 0.65 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 1wsu h LEU 550 CO 0.02 0.42 0.52 -0.08 -0.34 0.00 0.00 178.44 178.97 1wsu h GLU 551 N 0.71 0.91 -0.08 1.25 4.81 -0.66 -0.04 114.58 121.48 1wsu h GLU 551 Ca 0.22 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 59.20 1wsu h GLU 551 Cb -0.03 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.15 1wsu h GLU 551 CO -0.07 0.60 -0.76 1.49 -0.73 0.00 0.00 179.01 179.54 1wsu h GLU 552 N 0.94 0.45 -0.36 1.92 4.57 -1.35 -2.49 114.58 118.26 1wsu h GLU 552 Ca 0.37 -0.38 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1wsu h GLU 552 Cb 0.18 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 1wsu h GLU 552 CO -0.18 1.02 0.14 -0.07 -1.18 0.00 0.00 179.01 178.74 1wsu h LEU 553 N 0.30 0.49 -0.08 1.64 3.38 -0.38 -1.03 115.31 119.63 1wsu h LEU 553 Ca -0.04 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1wsu h LEU 553 Cb 1.35 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1wsu h LEU 553 CO 0.13 0.52 0.04 -0.07 0.09 0.00 0.00 178.44 179.16 1wsu h LEU 554 N 0.43 0.09 -1.39 1.67 3.38 -1.04 -0.60 115.31 117.85 1wsu h LEU 554 Ca 0.12 -0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.12 1wsu h LEU 554 Cb 0.19 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1wsu h LEU 554 CO -0.01 0.14 0.51 0.45 0.09 0.00 0.00 178.44 179.61 1wsu h HIS 555 N 0.04 0.73 -0.11 1.13 3.86 -1.32 0.50 115.15 119.99 1wsu h HIS 555 Ca 0.03 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1wsu h HIS 555 Cb 0.06 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.29 1wsu h HIS 555 CO -0.05 0.34 0.06 -0.92 0.86 0.00 0.00 177.93 178.21 1wsu h TYR 556 N 0.68 0.15 -0.39 2.45 3.20 -0.20 0.14 116.97 122.99 1wsu h TYR 556 Ca 0.36 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.23 1wsu h TYR 556 Cb 0.48 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1wsu h TYR 556 CO -0.00 0.19 0.25 -0.07 -1.64 0.00 0.00 178.16 176.89 1wsu h LEU 557 N 0.06 0.42 -0.25 2.82 3.38 0.90 0.22 115.31 122.87 1wsu h LEU 557 Ca 0.04 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1wsu h LEU 557 Cb 0.09 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1wsu h LEU 557 CO -0.01 0.30 0.09 0.58 0.09 0.00 0.00 178.44 179.50 1wsu h VAL 558 N 0.51 0.95 -0.37 1.22 2.07 0.05 -0.93 116.25 119.75 1wsu h VAL 558 Ca 0.15 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.65 1wsu h VAL 558 Cb -0.04 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1wsu h VAL 558 CO -0.04 0.04 0.25 -0.09 0.02 0.00 0.00 177.57 177.74 1wsu h ARG 559 N 0.21 0.25 -0.11 1.57 2.43 -0.09 0.98 114.38 119.62 1wsu h ARG 559 Ca 0.11 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1wsu h ARG 559 Cb 0.06 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1wsu h ARG 559 CO -0.10 0.17 0.00 0.39 -1.51 0.00 0.00 179.97 178.91 1wsu n GLU 560 N -4.48 1.40 -0.94 0.20 -0.58 0.71 -4.89 120.64 112.06 1wsu n GLU 560 Ca 0.04 -0.60 0.00 0.00 -0.42 0.00 0.00 57.16 56.18 1wsu n GLU 560 Cb 0.25 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 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 0.93 0.45 0.11 0.62 0.00 0.34 -4.90 105.19 102.75 1wsu n GLY 561 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 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 1.46 -1.96 1.61 2.07 -1.44 -3.44 116.25 114.55 1wsu h VAL 562 Ca 0.00 -2.49 -0.57 0.00 0.82 0.00 0.00 66.70 64.46 1wsu h VAL 562 Cb 0.21 3.13 -0.10 0.00 -1.52 0.00 0.00 31.29 33.01 1wsu h VAL 562 CO 0.00 0.69 -0.61 -0.76 0.02 0.00 0.00 177.57 176.91 1wsu s LEU 563 N -7.87 3.05 -0.03 2.57 1.43 -1.17 -0.88 118.68 115.78 1wsu s LEU 563 Ca -0.15 -0.90 0.01 0.00 -1.03 0.00 0.00 54.13 52.05 1wsu s LEU 563 Cb 0.01 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.79 1wsu s LEU 563 CO 0.80 -0.20 -0.01 -0.69 0.23 0.00 0.00 176.35 176.48 1wsu s VAL 564 N -2.47 0.23 -0.10 -1.59 1.01 -0.14 -4.17 120.40 113.17 1wsu s VAL 564 Ca 0.35 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 62.06 1wsu s VAL 564 Cb -0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 1wsu s VAL 564 CO 0.20 0.14 1.13 -0.75 0.00 0.00 0.00 175.10 175.82 1wsu s LYS 565 N 0.84 4.35 -0.20 2.72 2.20 -1.26 -0.70 119.74 127.69 1wsu s LYS 565 Ca -0.09 1.55 -0.05 0.00 -0.36 0.00 0.00 55.97 57.03 1wsu s LYS 565 Cb -0.12 -3.59 -0.20 0.00 -1.51 0.00 0.00 37.83 32.41 1wsu s LYS 565 CO -0.01 -0.46 0.02 -0.89 -0.36 0.00 0.00 175.35 173.65 1wsu n ILE 566 N 4.77 1.61 -2.45 5.43 -0.00 0.10 -4.95 119.36 123.87 1wsu n ILE 566 Ca 0.11 -0.55 0.00 0.00 -0.00 0.00 0.00 62.75 62.31 1wsu n ILE 566 Cb 0.47 -1.63 0.00 0.00 -0.00 0.00 0.00 39.64 38.48 1wsu n ILE 566 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 1wsu n ASN 567 N -3.53 0.00 0.20 4.38 6.94 -0.97 -4.66 115.26 117.61 1wsu n ASN 567 Ca -0.40 -0.37 0.08 0.00 -0.02 0.00 0.00 54.58 53.86 1wsu n ASN 567 Cb 0.98 0.00 0.28 0.00 -2.36 0.00 0.00 39.78 38.68 1wsu n ASN 567 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1wsu h ASP 568 N 0.00 0.00 0.17 0.53 3.32 -2.03 -3.29 116.42 115.13 1wsu h ASP 568 Ca 0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 1wsu h ASP 568 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1wsu h ASP 568 CO 0.00 0.28 -2.14 -0.62 -1.72 0.00 0.00 179.24 175.05 1wsu n GLU 569 N -3.29 0.67 -4.40 3.56 4.71 -1.26 -4.78 120.64 115.85 1wsu n GLU 569 Ca 0.01 0.14 -0.34 0.00 -0.01 0.00 0.00 57.16 56.97 1wsu n GLU 569 Cb 0.54 -1.63 -0.14 0.00 -1.01 0.00 0.00 31.44 29.20 1wsu n GLU 569 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1wsu s PHE 570 N -2.54 2.90 0.11 -0.32 0.40 -1.24 -1.11 117.98 116.19 1wsu s PHE 570 Ca -0.13 -0.69 0.07 0.00 -0.60 0.00 0.00 56.93 55.58 1wsu s PHE 570 Cb 0.07 -1.95 -0.04 0.00 0.51 0.00 0.00 43.02 41.61 1wsu s PHE 570 CO 0.79 -0.30 -0.07 0.71 0.70 0.00 0.00 175.22 177.05 1wsu s TYR 571 N 0.74 2.78 0.10 0.36 1.51 -1.26 -0.72 117.35 120.85 1wsu s TYR 571 Ca -0.04 -0.14 0.09 0.00 -1.01 0.00 0.00 57.07 55.98 1wsu s TYR 571 Cb -0.15 -1.44 -0.03 0.00 -0.11 0.00 0.00 41.96 40.23 1wsu s TYR 571 CO 0.02 0.45 -0.24 -1.58 -1.11 0.00 0.00 175.55 173.09 1wsu s TRP 572 N -1.31 2.06 0.37 2.71 0.52 0.12 -4.79 118.94 118.62 1wsu s TRP 572 Ca 0.23 -0.40 -0.27 0.00 0.02 0.00 0.00 56.10 55.68 1wsu s TRP 572 Cb -0.11 -1.15 -0.09 0.00 -1.15 0.00 0.00 33.47 30.97 1wsu s TRP 572 CO 0.15 0.23 1.25 -1.58 0.02 0.00 0.00 176.95 177.02 1wsu s HIS 573 N -1.02 3.02 0.34 -1.98 5.65 -1.26 -0.97 115.29 119.08 1wsu s HIS 573 Ca 0.10 1.47 0.04 0.00 0.25 0.00 0.00 55.06 56.92 1wsu s HIS 573 Cb -0.10 -3.57 0.66 0.00 -1.18 0.00 0.00 32.58 28.39 1wsu s HIS 573 CO 0.04 -1.69 1.95 -0.09 -0.65 0.00 0.00 174.74 174.31 1wsu h ARG 574 N 3.00 0.84 -0.07 2.88 2.43 -1.30 -1.79 114.38 120.36 1wsu h ARG 574 Ca -0.49 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 58.47 1wsu h ARG 574 Cb 1.23 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 1wsu h ARG 574 CO 0.64 0.55 -0.66 0.37 -1.51 0.00 0.00 179.97 179.36 1wsu h GLN 575 N 0.86 0.30 0.00 0.20 4.15 -1.90 -2.19 115.11 116.52 1wsu h GLN 575 Ca 0.32 -0.22 -0.11 0.00 0.77 0.00 0.00 58.65 59.41 1wsu h GLN 575 Cb 0.17 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 1wsu h GLN 575 CO -0.10 0.85 -0.51 0.00 -1.93 0.00 0.00 178.83 177.14 1wsu h ALA 576 N 1.09 1.08 -0.12 3.38 0.00 -1.76 -2.12 119.26 120.81 1wsu h ALA 576 Ca -0.02 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 1wsu h ALA 576 Cb 1.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1wsu h ALA 576 CO 0.11 0.63 -0.42 1.25 0.00 0.00 0.00 179.25 180.82 1wsu h LEU 577 N 0.00 0.58 -0.96 0.00 5.85 -1.21 -1.99 115.31 117.58 1wsu h LEU 577 Ca -0.01 -0.61 -0.00 0.00 0.84 0.00 0.00 57.88 58.10 1wsu h LEU 577 Cb 0.94 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 1wsu h LEU 577 CO 0.07 1.10 0.60 1.23 -0.34 0.00 0.00 178.44 181.09 1wsu h GLY 578 N 0.11 1.39 1.39 3.75 0.00 -1.21 -1.39 103.07 107.10 1wsu h GLY 578 Ca -0.02 -0.56 -0.16 0.00 0.00 0.00 0.00 47.33 46.59 1wsu h GLY 578 CO 0.09 0.54 -0.53 0.83 0.00 0.00 0.00 176.54 177.47 1wsu h GLU 579 N 1.32 0.64 -0.39 4.80 5.08 -1.38 -2.22 114.58 122.43 1wsu h GLU 579 Ca 0.35 -0.39 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1wsu h GLU 579 Cb -0.09 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1wsu h GLU 579 CO -0.07 1.01 0.02 0.00 -1.00 0.00 0.00 179.01 178.97 1wsu h ALA 580 N 0.91 1.30 -0.74 3.43 0.00 -0.89 -1.67 119.26 121.60 1wsu h ALA 580 Ca 0.01 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1wsu h ALA 580 Cb 1.09 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1wsu h ALA 580 CO 0.11 0.48 0.22 0.00 0.00 0.00 0.00 179.25 180.05 1wsu h ARG 581 N 0.59 1.16 -0.69 0.00 3.08 -1.00 0.34 114.38 117.86 1wsu h ARG 581 Ca 0.12 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 1wsu h ARG 581 Cb 0.35 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 1wsu h ARG 581 CO 0.01 0.99 0.26 1.49 -1.07 0.00 0.00 179.97 181.66 1wsu h GLU 582 N 1.11 1.05 -0.58 0.04 4.57 -0.79 0.22 114.58 120.20 1wsu h GLU 582 Ca 0.24 -0.20 -0.10 0.00 -1.18 0.00 0.00 59.36 58.11 1wsu h GLU 582 Cb 0.33 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 1wsu h GLU 582 CO -0.00 0.88 -0.05 0.28 -1.18 0.00 0.00 179.01 178.94 1wsu h VAL 583 N 1.00 1.27 -0.39 0.32 2.07 -0.76 -2.40 116.25 117.35 1wsu h VAL 583 Ca 0.23 -1.20 -0.13 0.00 0.82 0.00 0.00 66.70 66.42 1wsu h VAL 583 Cb 0.23 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1wsu h VAL 583 CO -0.02 0.43 -0.29 0.40 0.02 0.00 0.00 177.57 178.12 1wsu h ILE 584 N 0.95 1.28 0.14 4.57 2.04 -0.38 -2.20 117.51 123.90 1wsu h ILE 584 Ca 0.16 -1.44 0.01 0.00 1.00 0.00 0.00 64.86 64.60 1wsu h ILE 584 Cb 0.61 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 1wsu h ILE 584 CO 0.04 0.48 -0.22 0.50 0.00 0.00 0.00 178.15 178.94 1wsu h LYS 585 N 0.71 -0.42 -0.11 2.37 3.64 -0.35 -0.76 116.57 121.65 1wsu h LYS 585 Ca 0.08 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1wsu h LYS 585 Cb 0.83 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1wsu h LYS 585 CO 0.07 -0.28 -0.01 -0.91 -2.27 0.00 0.00 179.45 176.05 1wsu h ASN 586 N -0.43 0.14 0.00 4.20 -0.26 -1.39 -1.91 115.58 115.94 1wsu h ASN 586 Ca 0.02 -0.01 -0.15 0.00 -0.56 0.00 0.00 56.30 55.59 1wsu h ASN 586 Cb 0.44 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.66 1wsu h ASN 586 CO -0.11 0.18 -0.51 0.25 -1.06 0.00 0.00 177.43 176.18 1wsu h LEU 587 N 0.16 0.62 -0.18 1.61 5.85 -0.77 -3.13 115.31 119.47 1wsu h LEU 587 Ca 0.04 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1wsu h LEU 587 Cb 0.13 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1wsu h LEU 587 CO 0.00 1.02 -0.21 0.00 -0.34 0.00 0.00 178.44 178.91 1wsu n ALA 588 N -2.52 2.93 0.26 1.25 0.00 -0.35 -3.86 120.51 118.23 1wsu n ALA 588 Ca -0.03 -0.28 0.13 0.00 0.00 0.00 0.00 53.44 53.26 1wsu n ALA 588 Cb 0.58 -1.27 0.81 0.00 0.00 0.00 0.00 19.45 19.57 1wsu n ALA 588 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1wsu h SER 589 N 0.44 0.00 -0.69 0.00 4.64 -1.30 -2.17 113.55 114.46 1wsu h SER 589 Ca 0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 1wsu h SER 589 Cb 0.44 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.30 1wsu h SER 589 CO 0.00 0.00 0.20 0.35 -0.87 0.00 0.00 176.83 176.51 1wsu n THR 590 N -4.08 2.93 0.00 2.95 -2.24 -1.25 -5.05 114.28 107.53 1wsu n THR 590 Ca -0.02 -2.75 0.00 0.00 -2.27 0.00 0.00 64.05 59.02 1wsu n THR 590 Cb 0.14 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 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 -1.05 2.90 3.50 3.38 0.00 -0.82 -5.07 105.19 108.04 1wsu n GLY 591 Ca 0.47 -2.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.90 0.13 -4.14 1.61 -0.02 -1.26 -4.47 135.00 125.96 1wsu n PRO 592 Ca 0.00 0.10 -0.15 0.00 -2.02 0.00 0.00 63.50 61.42 1wsu n PRO 592 Cb 0.00 -1.98 -0.12 0.00 -0.02 0.00 0.00 33.50 31.38 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 -2.08 0.82 0.77 6.00 -0.12 -0.32 -4.85 117.98 118.21 1wsu s PHE 593 Ca 0.65 -0.41 -0.07 0.00 -0.05 0.00 0.00 56.93 57.05 1wsu s PHE 593 Cb -0.30 -0.49 0.12 0.00 -0.63 0.00 0.00 43.02 41.72 1wsu s PHE 593 CO 0.59 -0.03 1.07 0.20 -0.05 0.00 0.00 175.22 177.00 1wsu s GLY 594 N -1.34 1.74 0.19 1.99 0.00 -1.26 -1.07 107.32 107.57 1wsu s GLY 594 Ca -0.05 -1.30 -0.09 0.00 0.00 0.00 0.00 44.72 43.29 1wsu s GLY 594 CO 0.01 -0.75 1.67 -2.00 0.00 0.00 0.00 173.10 172.03 1wsu h LEU 595 N -0.81 1.06 -0.72 0.66 5.85 -1.99 -2.57 115.31 116.79 1wsu h LEU 595 Ca -0.41 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 57.98 1wsu h LEU 595 Cb 1.28 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 1wsu h LEU 595 CO 0.47 1.08 0.28 0.00 -0.34 0.00 0.00 178.44 179.93 1wsu h ALA 596 N 1.03 0.94 -0.61 1.25 0.00 -1.97 -0.41 119.26 119.49 1wsu h ALA 596 Ca 0.19 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1wsu h ALA 596 Cb 0.51 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1wsu h ALA 596 CO 0.02 0.57 0.25 0.93 0.00 0.00 0.00 179.25 181.02 1wsu h GLU 597 N 1.04 0.89 -0.55 0.00 5.08 -1.91 -0.36 114.58 118.77 1wsu h GLU 597 Ca 0.24 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1wsu h GLU 597 Cb 0.22 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1wsu h GLU 597 CO -0.02 0.73 0.07 0.00 -1.00 0.00 0.00 179.01 178.79 1wsu h ALA 598 N 1.39 0.74 -0.19 3.43 0.00 -0.97 -0.89 119.26 122.77 1wsu h ALA 598 Ca 0.21 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wsu h ALA 598 Cb 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1wsu h ALA 598 CO -0.02 0.50 0.11 -0.09 0.00 0.00 0.00 179.25 179.75 1wsu h ARG 599 N 0.82 0.26 0.08 0.00 1.12 -0.51 -2.15 114.38 114.00 1wsu h ARG 599 Ca 0.17 -0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 59.01 1wsu h ARG 599 Cb 0.44 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.35 1wsu h ARG 599 CO 0.01 0.23 -0.06 -0.44 -3.11 0.00 0.00 179.97 176.61 1wsu h ASP 600 N 0.21 -0.15 -0.37 -3.80 3.32 -0.87 0.13 116.42 114.88 1wsu h ASP 600 Ca 0.07 0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.23 1wsu h ASP 600 Cb 0.05 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1wsu h ASP 600 CO -0.01 -0.10 0.27 0.00 -1.72 0.00 0.00 179.24 177.68 1wsu h ALA 601 N 0.77 2.32 -0.01 3.45 0.00 -1.05 -1.50 119.26 123.24 1wsu h ALA 601 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1wsu h ALA 601 Cb 0.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1wsu h ALA 601 CO -0.00 -0.42 -0.75 1.28 0.00 0.00 0.00 179.25 179.36 1wsu n LEU 602 N -4.43 1.34 -3.01 0.00 4.77 -0.82 -4.97 117.00 109.87 1wsu n LEU 602 Ca 0.06 -0.55 -0.22 0.00 -0.03 0.00 0.00 56.01 55.27 1wsu n LEU 602 Cb 0.43 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.54 1wsu n LEU 602 CO 0.36 0.29 0.01 0.61 -1.33 0.00 0.00 177.39 177.33 1wsu n GLY 603 N 1.46 -0.51 0.00 -0.72 0.00 0.40 -4.98 105.19 100.85 1wsu n GLY 603 Ca 0.06 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.50 0.00 -4.13 1.61 2.88 -0.78 -5.04 113.62 105.66 1wsu n SER 604 Ca -0.11 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.35 1wsu n SER 604 Cb 0.62 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.98 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 0.29 0.75 0.40 -3.46 1.04 -1.26 -4.84 113.70 106.63 1wsu s SER 605 Ca 0.00 -1.02 0.14 0.00 0.48 0.00 0.00 55.95 55.56 1wsu s SER 605 Cb 0.00 0.16 1.00 0.00 0.10 0.00 0.00 66.02 67.28 1wsu s SER 605 CO 0.00 -0.55 1.88 0.03 0.98 0.00 0.00 173.24 175.58 1wsu h ARG 606 N 3.05 0.47 -0.80 4.02 3.08 -1.96 -0.77 114.38 121.48 1wsu h ARG 606 Ca -0.35 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 59.73 1wsu h ARG 606 Cb 1.15 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 31.05 1wsu h ARG 606 CO 0.65 0.31 0.52 -0.22 -1.07 0.00 0.00 179.97 180.17 1wsu h LYS 607 N 0.49 0.89 0.00 0.04 3.64 -2.01 -1.77 116.57 117.84 1wsu h LYS 607 Ca 0.42 -0.05 -0.32 0.00 -1.27 0.00 0.00 60.65 59.43 1wsu h LYS 607 Cb 0.92 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 32.48 1wsu h LYS 607 CO -0.16 0.59 -2.03 0.66 -2.27 0.00 0.00 179.45 176.23 1wsu n TYR 608 N -4.47 0.49 -0.02 1.91 4.02 -0.42 -4.40 117.16 114.27 1wsu n TYR 608 Ca 0.11 0.18 -0.16 0.00 -0.01 0.00 0.00 57.90 58.02 1wsu n TYR 608 Cb 0.17 -1.08 -0.10 0.00 -0.02 0.00 0.00 39.34 38.31 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 1.45 -0.78 -0.72 2.07 -1.09 -3.18 116.25 113.99 1wsu h VAL 609 Ca -0.40 -1.87 0.08 0.00 0.82 0.00 0.00 66.70 65.33 1wsu h VAL 609 Cb 2.09 2.49 -0.07 0.00 -1.52 0.00 0.00 31.29 34.28 1wsu h VAL 609 CO 0.05 0.54 0.44 0.25 0.02 0.00 0.00 177.57 178.87 1wsu h LEU 610 N -0.21 0.64 -1.15 2.57 5.85 -1.55 -0.38 115.31 121.08 1wsu h LEU 610 Ca -0.04 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1wsu h LEU 610 Cb 1.08 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1wsu h LEU 610 CO 0.08 0.38 0.09 -0.65 -0.34 0.00 0.00 178.44 178.00 1wsu h PRO 611 N 0.77 0.68 -0.07 5.25 0.11 -1.77 -1.12 132.00 135.85 1wsu h PRO 611 Ca 0.37 -0.13 -0.00 0.00 0.11 0.00 0.00 66.00 66.34 1wsu h PRO 611 Cb 0.30 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.30 1wsu h PRO 611 CO -0.23 0.64 0.03 1.25 -0.21 0.00 0.00 178.00 179.48 1wsu h LEU 612 N 0.66 0.09 -1.03 2.35 5.85 -1.12 -1.17 115.31 120.94 1wsu h LEU 612 Ca 0.15 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1wsu h LEU 612 Cb 0.28 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1wsu h LEU 612 CO 0.00 0.21 0.14 -0.07 -0.34 0.00 0.00 178.44 178.38 1wsu h LEU 613 N -0.04 0.78 -0.98 2.25 3.38 -0.79 0.18 115.31 120.09 1wsu h LEU 613 Ca 0.02 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 1wsu h LEU 613 Cb 0.15 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1wsu h LEU 613 CO -0.00 0.76 -0.16 -0.33 0.09 0.00 0.00 178.44 178.80 1wsu h GLU 614 N 0.81 0.55 -0.39 1.13 5.08 -1.10 0.67 114.58 121.33 1wsu h GLU 614 Ca 0.18 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1wsu h GLU 614 Cb 0.29 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1wsu h GLU 614 CO -0.00 0.70 -0.18 -0.92 -1.00 0.00 0.00 179.01 177.61 1wsu h TYR 615 N 0.50 0.92 -0.06 4.33 3.20 -0.11 -1.79 116.97 123.97 1wsu h TYR 615 Ca 0.09 -0.23 -0.09 0.00 3.14 0.00 0.00 58.73 61.64 1wsu h TYR 615 Cb 0.57 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1wsu h TYR 615 CO 0.02 0.97 -0.37 -0.07 -1.64 0.00 0.00 178.16 177.07 1wsu h LEU 616 N 0.60 0.13 -0.35 2.82 3.38 -0.09 -1.93 115.31 119.88 1wsu h LEU 616 Ca 0.09 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1wsu h LEU 616 Cb 0.73 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1wsu h LEU 616 CO 0.05 0.50 -0.02 0.44 0.09 0.00 0.00 178.44 179.51 1wsu h ASP 617 N 0.11 0.62 -0.10 -0.43 3.45 -0.75 0.36 116.42 119.68 1wsu h ASP 617 Ca 0.01 -0.32 0.04 0.00 0.43 0.00 0.00 57.03 57.19 1wsu h ASP 617 Cb 0.71 -0.17 -0.05 0.00 -0.56 0.00 0.00 39.33 39.26 1wsu h ASP 617 CO 0.05 0.79 -0.22 -0.61 -1.57 0.00 0.00 179.24 177.68 1wsu h GLN 618 N 0.43 -0.29 -0.12 3.56 5.75 -0.59 0.78 115.11 124.63 1wsu h GLN 618 Ca 0.10 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 1wsu h GLN 618 Cb 0.48 0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.10 1wsu h GLN 618 CO 0.02 -0.19 0.00 1.33 -2.65 0.00 0.00 178.83 177.34 1wsu n VAL 619 N -5.35 0.13 -3.47 2.39 0.24 -0.82 -4.89 118.33 106.56 1wsu n VAL 619 Ca -0.03 -0.13 -0.23 0.00 -2.04 0.00 0.00 64.34 61.91 1wsu n VAL 619 Cb 0.27 0.05 0.07 0.00 -1.47 0.00 0.00 33.84 32.76 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 -0.21 -7.26 0.07 7.34 5.02 0.27 -4.91 118.16 118.48 1wsu n LYS 620 Ca 0.03 0.82 -0.22 0.00 -2.02 0.00 0.00 58.31 56.92 1wsu n LYS 620 Cb 0.09 -5.77 -0.15 0.00 -0.02 0.00 0.00 35.03 29.18 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 -2.42 0.67 -2.05 2.13 3.57 -0.52 -3.44 116.94 114.89 1wsu h PHE 621 Ca -0.55 -0.49 -0.58 0.00 3.53 0.00 0.00 57.97 59.88 1wsu h PHE 621 Cb 1.36 -0.03 -0.13 0.00 2.79 0.00 0.00 35.95 39.94 1wsu h PHE 621 CO 0.49 1.52 -0.62 0.95 -2.23 0.00 0.00 178.31 178.42 1wsu s THR 622 N -2.52 1.83 -0.02 4.41 -4.23 -1.06 -1.51 115.64 112.54 1wsu s THR 622 Ca -0.15 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.32 1wsu s THR 622 Cb 0.04 -2.85 0.03 0.00 1.34 0.00 0.00 72.50 71.05 1wsu s THR 622 CO 0.85 -0.06 0.01 -0.60 -0.54 0.00 0.00 174.62 174.28 1wsu s ARG 623 N -3.73 0.14 -0.06 3.99 3.52 -0.31 -4.10 118.95 118.40 1wsu s ARG 623 Ca 0.34 0.12 -0.18 0.00 -0.13 0.00 0.00 55.73 55.88 1wsu s ARG 623 Cb 0.08 -0.36 -0.05 0.00 -1.56 0.00 0.00 34.95 33.06 1wsu s ARG 623 CO 0.17 -0.14 0.51 0.50 -0.81 0.00 0.00 175.30 175.52 1wsu s ARG 624 N 1.00 4.26 -0.26 5.12 3.52 -1.26 -2.24 118.95 129.09 1wsu s ARG 624 Ca -0.09 0.55 -0.02 0.00 -0.13 0.00 0.00 55.73 56.04 1wsu s ARG 624 Cb -0.13 -3.37 0.08 0.00 -1.56 0.00 0.00 34.95 29.98 1wsu s ARG 624 CO -0.02 0.32 0.08 0.08 -0.81 0.00 0.00 175.30 174.94 1wsu s VAL 625 N 0.05 0.63 0.00 7.11 1.01 -0.31 -5.01 120.40 123.89 1wsu s VAL 625 Ca 0.28 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1wsu s VAL 625 Cb -0.16 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.87 1wsu s VAL 625 CO 0.13 -0.51 0.00 0.61 0.00 0.00 0.00 175.10 175.34 1wsu n GLY 626 N 4.97 0.52 1.72 4.51 0.00 -1.26 -3.09 105.19 112.56 1wsu n GLY 626 Ca -0.05 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 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 7.11 4.44 -4.07 1.61 10.43 -1.26 -4.99 116.55 129.82 1wsu n ASP 627 Ca 0.00 -3.79 -0.10 0.00 2.57 0.00 0.00 54.79 53.47 1wsu n ASP 627 Cb 0.00 -0.55 -0.08 0.00 1.84 0.00 0.00 41.12 42.34 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 -3.52 1.29 0.13 -1.24 1.02 -1.18 -4.54 119.74 111.70 1wsu s LYS 628 Ca 0.51 -1.38 0.01 0.00 0.02 0.00 0.00 55.97 55.13 1wsu s LYS 628 Cb 0.42 0.36 -0.04 0.00 -0.52 0.00 0.00 37.83 38.05 1wsu s LYS 628 CO 0.01 -0.48 -0.02 1.03 -0.92 0.00 0.00 175.35 174.97 1wsu s ARG 629 N -4.06 0.93 0.02 1.68 0.52 -0.24 -1.16 118.95 116.65 1wsu s ARG 629 Ca 0.27 -1.42 -0.01 0.00 -0.52 0.00 0.00 55.73 54.06 1wsu s ARG 629 Cb 0.03 -0.13 -0.02 0.00 0.52 0.00 0.00 34.95 35.36 1wsu s ARG 629 CO 0.07 -0.11 -0.02 0.14 0.02 0.00 0.00 175.30 175.41 1wsu s VAL 630 N -3.73 0.10 -0.08 3.52 -7.23 -0.95 -1.17 120.40 110.87 1wsu s VAL 630 Ca 0.18 -0.86 -0.23 0.00 -1.81 0.00 0.00 61.98 59.26 1wsu s VAL 630 Cb 0.06 -0.27 -0.04 0.00 0.56 0.00 0.00 36.38 36.70 1wsu s VAL 630 CO -0.01 -0.47 0.67 -0.69 -0.31 0.00 0.00 175.10 174.29 1wsu s VAL 631 N -1.41 5.06 -2.00 1.32 1.01 -1.26 -1.16 120.40 121.97 1wsu s VAL 631 Ca -0.15 1.37 0.14 0.00 0.00 0.00 0.00 61.98 63.33 1wsu s VAL 631 Cb -0.09 -4.01 0.39 0.00 0.00 0.00 0.00 36.38 32.66 1wsu s VAL 631 CO -0.01 0.25 1.23 1.33 0.00 0.00 0.00 175.10 177.91