#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wsu h LEU 518 N 0.00 0.00 0.00 3.14 5.85 -2.05 -1.12 115.31 121.13 1wsu h LEU 518 Ca 0.00 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 1wsu h LEU 518 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1wsu h LEU 518 CO 0.00 0.12 -0.78 -0.07 -0.34 0.00 0.00 178.44 177.37 1wsu h LEU 519 N 0.00 0.00 0.05 2.25 3.38 -2.00 -2.33 115.31 116.66 1wsu h LEU 519 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1wsu h LEU 519 Cb 0.34 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.11 1wsu h LEU 519 CO 0.02 0.71 -0.75 0.11 0.09 0.00 0.00 178.44 178.62 1wsu h LYS 520 N 0.00 0.42 -0.63 1.13 1.79 -1.78 -2.76 116.57 114.73 1wsu h LYS 520 Ca -0.02 -0.52 -0.09 0.00 -2.18 0.00 0.00 60.65 57.84 1wsu h LYS 520 Cb 1.56 0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 32.35 1wsu h LYS 520 CO 0.09 1.18 0.05 -0.44 -1.08 0.00 0.00 179.45 179.26 1wsu h ASP 521 N -0.11 1.03 -0.56 0.86 5.19 -1.32 -1.34 116.42 120.18 1wsu h ASP 521 Ca -0.11 -0.27 0.02 0.00 -0.62 0.00 0.00 57.03 56.06 1wsu h ASP 521 Cb 1.49 -0.28 -0.04 0.00 0.18 0.00 0.00 39.33 40.68 1wsu h ASP 521 CO 0.14 1.05 0.34 -0.07 -3.12 0.00 0.00 179.24 177.59 1wsu h LEU 522 N 0.99 0.56 -0.08 1.55 3.38 -1.48 -0.89 115.31 119.33 1wsu h LEU 522 Ca 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1wsu h LEU 522 Cb 0.49 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1wsu h LEU 522 CO 0.02 0.39 0.04 -0.08 0.09 0.00 0.00 178.44 178.91 1wsu h GLU 523 N 0.68 0.12 -0.39 1.13 4.81 -1.17 -2.84 114.58 116.91 1wsu h GLU 523 Ca 0.22 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1wsu h GLU 523 Cb 0.01 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1wsu h GLU 523 CO -0.09 0.18 0.25 -0.44 -0.73 0.00 0.00 179.01 178.17 1wsu h ASP 524 N 0.03 0.42 -0.82 1.04 3.45 -1.02 0.15 116.42 119.66 1wsu h ASP 524 Ca 0.03 -0.01 0.17 0.00 0.43 0.00 0.00 57.03 57.66 1wsu h ASP 524 Cb 0.10 -0.10 -0.11 0.00 -0.56 0.00 0.00 39.33 38.66 1wsu h ASP 524 CO -0.00 0.30 0.35 0.50 -1.57 0.00 0.00 179.24 178.81 1wsu h LYS 525 N 0.51 0.43 0.07 3.56 1.63 -1.08 0.86 116.57 122.56 1wsu h LYS 525 Ca 0.15 -0.03 -0.29 0.00 -0.85 0.00 0.00 60.65 59.64 1wsu h LYS 525 Cb -0.03 -0.10 0.03 0.00 -0.60 0.00 0.00 32.23 31.53 1wsu h LYS 525 CO -0.05 0.29 -1.16 1.88 -3.45 0.00 0.00 179.45 176.96 1wsu h TYR 526 N 0.45 1.02 -0.33 1.91 -1.99 -1.19 -2.78 116.97 114.05 1wsu h TYR 526 Ca 0.48 -0.61 -0.02 0.00 2.00 0.00 0.00 58.73 60.58 1wsu h TYR 526 Cb 0.79 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 39.41 1wsu h TYR 526 CO -0.15 1.45 0.15 -0.09 -0.00 0.00 0.00 178.16 179.51 1wsu h ARG 527 N 0.31 0.49 -0.57 4.88 2.43 0.58 -0.35 114.38 122.16 1wsu h ARG 527 Ca -0.17 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 58.87 1wsu h ARG 527 Cb 1.83 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 31.27 1wsu h ARG 527 CO 0.22 0.47 0.14 0.28 -1.51 0.00 0.00 179.97 179.57 1wsu h VAL 528 N 0.40 1.25 -0.18 0.20 2.07 0.58 -2.95 116.25 117.62 1wsu h VAL 528 Ca 0.11 -0.89 -0.08 0.00 0.82 0.00 0.00 66.70 66.66 1wsu h VAL 528 Cb 0.16 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1wsu h VAL 528 CO -0.01 0.33 -0.24 0.28 0.02 0.00 0.00 177.57 177.95 1wsu h SER 529 N 0.81 0.32 0.00 0.57 0.02 -1.31 -3.48 113.55 110.49 1wsu h SER 529 Ca 0.18 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1wsu h SER 529 Cb 0.35 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1wsu h SER 529 CO 0.00 0.57 0.00 0.54 -1.14 0.00 0.00 176.83 176.80 1wsu n ARG 530 N -4.15 0.00 0.00 3.45 5.12 -0.16 -2.49 116.66 118.43 1wsu n ARG 530 Ca -0.01 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.95 1wsu n ARG 530 Cb 0.37 0.00 0.24 0.00 -1.16 0.00 0.00 32.46 31.91 1wsu n ARG 530 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 1wsu n TRP 531 N 13.75 0.00 -3.19 -1.55 8.01 -1.26 -3.62 117.44 129.58 1wsu n TRP 531 Ca 0.00 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 55.97 1wsu n TRP 531 Cb 0.00 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.24 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 -0.66 0.81 -2.07 -0.99 6.02 -1.04 -4.83 117.38 114.63 1wsu n GLN 532 Ca 0.06 -3.28 -0.34 0.00 -0.01 0.00 0.00 57.00 53.43 1wsu n GLN 532 Cb 0.03 -1.40 0.02 0.00 1.02 0.00 0.00 30.24 29.90 1wsu n GLN 532 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1wsu s PRO 533 N -1.65 3.21 0.51 -1.09 0.04 -1.24 -4.81 135.00 129.97 1wsu s PRO 533 Ca 0.37 1.40 -0.19 0.00 0.04 0.00 0.00 61.00 62.62 1wsu s PRO 533 Cb 0.24 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.70 1wsu s PRO 533 CO -0.10 -0.93 1.04 -1.25 0.04 0.00 0.00 177.00 175.80 1wsu s PRO 534 N -3.75 3.71 0.91 0.56 0.04 -1.26 -4.95 135.00 130.27 1wsu s PRO 534 Ca 0.68 1.29 -0.13 0.00 0.04 0.00 0.00 61.00 62.88 1wsu s PRO 534 Cb -0.20 -2.09 0.14 0.00 0.04 0.00 0.00 34.50 32.40 1wsu s PRO 534 CO 0.33 -0.49 1.16 0.45 0.04 0.00 0.00 177.00 178.49 1wsu s SER 535 N -2.23 3.53 0.22 6.66 0.15 -1.26 -4.29 113.70 116.49 1wsu s SER 535 Ca 0.66 0.84 -0.08 0.00 0.70 0.00 0.00 55.95 58.06 1wsu s SER 535 Cb -0.16 -1.32 0.21 0.00 -1.71 0.00 0.00 66.02 63.05 1wsu s SER 535 CO 0.24 -2.52 1.88 0.15 1.20 0.00 0.00 173.24 174.19 1wsu h PHE 536 N -1.48 1.00 -0.12 3.44 -0.00 -1.09 -2.05 116.94 116.64 1wsu h PHE 536 Ca -0.49 0.03 -0.02 0.00 -0.00 0.00 0.00 57.97 57.49 1wsu h PHE 536 Cb 1.32 -0.34 -0.00 0.00 -0.00 0.00 0.00 35.95 36.93 1wsu h PHE 536 CO 0.01 0.60 0.01 0.87 -0.00 0.00 0.00 178.31 179.81 1wsu h LYS 537 N 1.06 0.20 -0.63 1.11 1.57 -1.91 0.27 116.57 118.24 1wsu h LYS 537 Ca 0.31 -0.06 0.11 0.00 -1.87 0.00 0.00 60.65 59.15 1wsu h LYS 537 Cb -0.05 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.15 1wsu h LYS 537 CO -0.09 0.41 0.19 0.93 -0.57 0.00 0.00 179.45 180.32 1wsu h GLU 538 N -0.04 0.33 -0.01 3.15 5.08 -1.85 -0.70 114.58 120.54 1wsu h GLU 538 Ca 0.03 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.21 1wsu h GLU 538 Cb 0.32 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1wsu h GLU 538 CO 0.00 0.22 -0.76 -0.39 -1.00 0.00 0.00 179.01 177.08 1wsu h VAL 539 N 0.34 1.50 -4.08 3.13 -1.51 -1.28 -3.48 116.25 110.86 1wsu h VAL 539 Ca 0.33 -2.47 -0.52 0.00 -1.23 0.00 0.00 66.70 62.81 1wsu h VAL 539 Cb 0.47 2.34 0.10 0.00 -2.13 0.00 0.00 31.29 32.07 1wsu h VAL 539 CO -0.38 0.71 0.47 0.00 -1.23 0.00 0.00 177.57 177.15 1wsu s ALA 540 N -3.36 2.66 0.00 5.19 0.00 0.94 -5.10 121.76 122.08 1wsu s ALA 540 Ca -0.02 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1wsu s ALA 540 Cb 0.11 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1wsu s ALA 540 CO 0.80 -0.99 0.00 -1.91 0.00 0.00 0.00 175.76 173.65 1wsu n GLU 551 N -1.34 0.00 -0.06 0.00 4.07 -1.26 -4.92 120.64 117.14 1wsu n GLU 551 Ca 0.12 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.13 1wsu n GLU 551 Cb 0.50 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.85 1wsu n GLU 551 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1wsu h GLU 552 N 0.00 0.26 0.00 5.31 4.57 -2.06 -2.28 114.58 120.38 1wsu h GLU 552 Ca 0.00 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 1wsu h GLU 552 Cb 0.00 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1wsu h GLU 552 CO 0.00 0.17 -0.24 -0.07 -1.18 0.00 0.00 179.01 177.69 1wsu h LEU 553 N 0.27 0.00 -0.50 1.64 3.38 -2.02 -3.34 115.31 114.74 1wsu h LEU 553 Ca 0.10 -0.69 0.10 0.00 0.09 0.00 0.00 57.88 57.47 1wsu h LEU 553 Cb 0.01 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.67 1wsu h LEU 553 CO -0.06 0.99 -0.17 -0.07 0.09 0.00 0.00 178.44 179.22 1wsu h LEU 554 N -1.00 -0.60 -1.40 1.67 3.38 -2.01 0.94 115.31 116.29 1wsu h LEU 554 Ca -0.06 0.16 0.16 0.00 0.09 0.00 0.00 57.88 58.24 1wsu h LEU 554 Cb 0.86 0.36 -0.07 0.00 0.09 0.00 0.00 40.66 41.90 1wsu h LEU 554 CO -0.04 -0.21 0.57 -0.74 0.09 0.00 0.00 178.44 178.11 1wsu h HIS 555 N -0.05 0.68 0.03 1.13 2.76 -1.59 -0.03 115.15 118.07 1wsu h HIS 555 Ca 0.24 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.43 1wsu h HIS 555 Cb 0.42 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.17 1wsu h HIS 555 CO -0.46 0.23 -0.01 -0.92 -1.30 0.00 0.00 177.93 175.46 1wsu h TYR 556 N 0.55 -0.04 -0.34 5.26 3.20 -0.95 -1.93 116.97 122.72 1wsu h TYR 556 Ca 0.44 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.28 1wsu h TYR 556 Cb 0.88 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 1wsu h TYR 556 CO -0.00 0.18 0.08 -0.07 -1.64 0.00 0.00 178.16 176.70 1wsu h LEU 557 N -0.25 0.46 -0.47 2.82 3.38 -0.72 -1.46 115.31 119.07 1wsu h LEU 557 Ca -0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1wsu h LEU 557 Cb 0.23 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1wsu h LEU 557 CO 0.01 0.47 0.21 0.58 0.09 0.00 0.00 178.44 179.80 1wsu h VAL 558 N 0.50 1.20 0.00 1.22 2.07 -0.89 -0.70 116.25 119.64 1wsu h VAL 558 Ca 0.12 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1wsu h VAL 558 Cb 0.20 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1wsu h VAL 558 CO -0.00 0.22 0.00 -1.14 0.02 0.00 0.00 177.57 176.67 1wsu n ARG 559 N -4.61 0.14 0.00 1.57 0.63 -0.74 -2.56 116.66 111.09 1wsu n ARG 559 Ca 0.01 0.33 0.11 0.00 -0.92 0.00 0.00 57.85 57.38 1wsu n ARG 559 Cb 0.13 -1.75 0.03 0.00 0.45 0.00 0.00 32.46 31.32 1wsu n ARG 559 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1wsu n GLU 560 N -2.02 1.63 -0.75 -0.14 -0.58 -0.61 -4.96 120.64 113.21 1wsu n GLU 560 Ca 0.03 -1.32 0.00 0.00 -0.42 0.00 0.00 57.16 55.46 1wsu n GLU 560 Cb 0.25 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 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 1.35 0.79 0.09 0.62 0.00 -0.87 -4.93 105.19 102.24 1wsu n GLY 561 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 1.57 -1.71 1.61 2.07 -1.40 -3.42 116.25 114.98 1wsu h VAL 562 Ca 0.00 -1.92 -0.63 0.00 0.82 0.00 0.00 66.70 64.97 1wsu h VAL 562 Cb 0.00 2.81 -0.13 0.00 -1.52 0.00 0.00 31.29 32.45 1wsu h VAL 562 CO 0.00 0.52 -0.61 -0.76 0.02 0.00 0.00 177.57 176.73 1wsu s LEU 563 N -8.55 2.86 -0.12 2.57 1.43 -1.07 -1.33 118.68 114.47 1wsu s LEU 563 Ca -0.16 -1.34 -0.06 0.00 -1.03 0.00 0.00 54.13 51.54 1wsu s LEU 563 Cb 0.00 -0.92 0.05 0.00 0.03 0.00 0.00 46.19 45.35 1wsu s LEU 563 CO 0.72 -0.41 0.27 -0.69 0.23 0.00 0.00 176.35 176.48 1wsu s VAL 564 N -2.69 -0.05 -0.07 -1.59 1.01 -0.69 -4.19 120.40 112.14 1wsu s VAL 564 Ca 0.35 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 1wsu s VAL 564 Cb 0.09 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 1wsu s VAL 564 CO 0.18 0.06 1.16 -0.75 0.00 0.00 0.00 175.10 175.75 1wsu s LYS 565 N 1.31 4.36 -0.18 2.72 2.20 -1.26 -2.03 119.74 126.86 1wsu s LYS 565 Ca -0.09 1.62 0.01 0.00 -0.36 0.00 0.00 55.97 57.14 1wsu s LYS 565 Cb -0.10 -3.55 -0.22 0.00 -1.51 0.00 0.00 37.83 32.45 1wsu s LYS 565 CO -0.09 -0.42 0.09 -0.89 -0.36 0.00 0.00 175.35 173.68 1wsu n ILE 566 N 4.61 1.61 -3.69 5.43 -0.00 -1.25 -4.98 119.36 121.08 1wsu n ILE 566 Ca 0.11 -0.64 -0.05 0.00 -0.00 0.00 0.00 62.75 62.16 1wsu n ILE 566 Cb 0.47 -1.44 0.02 0.00 -0.00 0.00 0.00 39.64 38.69 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 -3.29 -1.59 0.27 4.38 6.94 -1.25 -4.70 115.26 116.02 1wsu n ASN 567 Ca -0.37 -2.00 0.14 0.00 -0.02 0.00 0.00 54.58 52.33 1wsu n ASN 567 Cb 1.03 2.62 0.74 0.00 -2.36 0.00 0.00 39.78 41.81 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 1.53 0.00 0.00 0.53 3.32 -2.04 -3.34 116.42 116.42 1wsu h ASP 568 Ca -0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1wsu h ASP 568 Cb 0.94 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1wsu h ASP 568 CO 0.31 0.10 0.00 -0.62 -1.72 0.00 0.00 179.24 177.31 1wsu n GLU 569 N -3.46 0.00 -4.22 3.56 1.02 -1.26 -4.76 120.64 111.52 1wsu n GLU 569 Ca -0.01 0.14 -0.14 0.00 -0.02 0.00 0.00 57.16 57.13 1wsu n GLU 569 Cb 0.26 -0.91 -0.10 0.00 -0.02 0.00 0.00 31.44 30.67 1wsu n GLU 569 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1wsu s PHE 570 N -0.96 1.16 0.31 -0.32 -0.12 -1.25 -0.50 117.98 116.30 1wsu s PHE 570 Ca 0.00 -0.74 0.07 0.00 -0.05 0.00 0.00 56.93 56.21 1wsu s PHE 570 Cb 0.00 -0.61 -0.03 0.00 -0.63 0.00 0.00 43.02 41.75 1wsu s PHE 570 CO 0.00 0.03 0.28 0.71 -0.05 0.00 0.00 175.22 176.19 1wsu s TYR 571 N -3.06 2.97 0.12 3.49 2.02 -1.26 -3.77 117.35 117.85 1wsu s TYR 571 Ca 0.13 -0.25 0.11 0.00 -0.37 0.00 0.00 57.07 56.68 1wsu s TYR 571 Cb 0.01 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 39.82 1wsu s TYR 571 CO -0.00 0.26 -0.26 -1.58 -1.57 0.00 0.00 175.55 172.39 1wsu s TRP 572 N -2.26 2.27 0.36 2.71 0.52 -0.86 -4.71 118.94 116.97 1wsu s TRP 572 Ca 0.39 -0.39 -0.26 0.00 0.02 0.00 0.00 56.10 55.86 1wsu s TRP 572 Cb -0.06 -1.25 -0.09 0.00 -1.15 0.00 0.00 33.47 30.92 1wsu s TRP 572 CO 0.26 0.30 1.13 -1.58 0.02 0.00 0.00 176.95 177.09 1wsu s HIS 573 N -1.03 3.26 0.29 -1.98 5.65 -1.26 -1.70 115.29 118.51 1wsu s HIS 573 Ca 0.13 1.61 0.02 0.00 0.25 0.00 0.00 55.06 57.07 1wsu s HIS 573 Cb -0.10 -3.32 0.44 0.00 -1.18 0.00 0.00 32.58 28.42 1wsu s HIS 573 CO 0.05 -0.98 1.76 -0.09 -0.65 0.00 0.00 174.74 174.84 1wsu h ARG 574 N 3.00 0.56 -0.30 2.88 2.43 -1.47 0.58 114.38 122.06 1wsu h ARG 574 Ca -0.48 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 58.47 1wsu h ARG 574 Cb 1.22 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 1wsu h ARG 574 CO 0.64 0.69 0.00 1.96 -1.51 0.00 0.00 179.97 181.75 1wsu h GLN 575 N 0.51 0.53 -0.73 0.20 7.50 -1.90 0.36 115.11 121.58 1wsu h GLN 575 Ca 0.09 -0.17 -0.01 0.00 0.50 0.00 0.00 58.65 59.07 1wsu h GLN 575 Cb 0.55 -0.05 -0.03 0.00 0.05 0.00 0.00 27.48 27.99 1wsu h GLN 575 CO 0.03 0.67 0.43 0.00 -1.50 0.00 0.00 178.83 178.46 1wsu h ALA 576 N 0.84 0.93 -0.24 3.87 0.00 -1.88 -0.09 119.26 122.69 1wsu h ALA 576 Ca 0.09 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1wsu h ALA 576 Cb 0.43 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1wsu h ALA 576 CO 0.01 0.40 -0.08 1.25 0.00 0.00 0.00 179.25 180.84 1wsu h LEU 577 N 0.99 0.36 0.00 0.00 5.85 -0.60 -2.18 115.31 119.73 1wsu h LEU 577 Ca 0.26 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1wsu h LEU 577 Cb -0.02 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1wsu h LEU 577 CO -0.05 0.49 0.00 0.61 -0.34 0.00 0.00 178.44 179.15 1wsu n GLY 578 N -0.84 -2.53 0.00 3.75 0.00 0.12 -1.19 105.19 104.50 1wsu n GLY 578 Ca 0.00 0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.13 1wsu n GLY 578 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wsu n GLU 579 N -1.95 0.00 0.06 1.61 0.00 -0.90 -0.96 120.64 118.50 1wsu n GLU 579 Ca 0.00 0.29 -0.13 0.00 0.00 0.00 0.00 57.16 57.32 1wsu n GLU 579 Cb 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 29.91 1wsu n GLU 579 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1wsu h ALA 580 N 2.43 0.41 -0.07 -1.84 0.00 -1.24 -1.94 119.26 117.00 1wsu h ALA 580 Ca 0.00 -0.68 -0.18 0.00 0.00 0.00 0.00 54.91 54.05 1wsu h ALA 580 Cb 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1wsu h ALA 580 CO 0.00 0.79 -0.72 -0.09 0.00 0.00 0.00 179.25 179.23 1wsu h ARG 581 N 0.26 0.35 -0.23 0.00 2.43 0.45 -2.56 114.38 115.08 1wsu h ARG 581 Ca -0.07 -0.28 -0.08 0.00 -0.81 0.00 0.00 59.98 58.74 1wsu h ARG 581 Cb 1.51 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.11 1wsu h ARG 581 CO 0.16 0.93 -0.22 1.49 -1.51 0.00 0.00 179.97 180.82 1wsu h GLU 582 N 0.24 0.42 -0.27 0.20 4.81 -1.23 -1.09 114.58 117.64 1wsu h GLU 582 Ca -0.03 -0.14 -0.13 0.00 -0.13 0.00 0.00 59.36 58.93 1wsu h GLU 582 Cb 1.29 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 1wsu h GLU 582 CO 0.12 0.61 -0.34 0.28 -0.73 0.00 0.00 179.01 178.95 1wsu h VAL 583 N 0.38 1.30 -0.61 0.32 2.07 -1.22 -2.10 116.25 116.38 1wsu h VAL 583 Ca 0.06 -1.52 -0.05 0.00 0.82 0.00 0.00 66.70 66.01 1wsu h VAL 583 Cb 0.59 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1wsu h VAL 583 CO 0.04 0.49 0.20 0.40 0.02 0.00 0.00 177.57 178.72 1wsu h ILE 584 N 0.45 1.24 -0.68 4.57 1.08 -1.17 -2.43 117.51 120.56 1wsu h ILE 584 Ca 0.04 -0.82 -0.03 0.00 -0.39 0.00 0.00 64.86 63.65 1wsu h ILE 584 Cb 0.92 0.62 -0.03 0.00 -3.07 0.00 0.00 36.82 35.26 1wsu h ILE 584 CO 0.08 0.31 0.29 0.50 -0.69 0.00 0.00 178.15 178.65 1wsu h LYS 585 N 0.87 1.01 0.00 2.37 3.64 -1.16 -1.53 116.57 121.78 1wsu h LYS 585 Ca 0.20 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1wsu h LYS 585 Cb 0.28 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1wsu h LYS 585 CO -0.01 0.83 0.00 -0.97 -2.27 0.00 0.00 179.45 177.03 1wsu h ASN 586 N 0.97 0.00 0.00 4.20 -1.24 -1.23 -3.08 115.58 115.20 1wsu h ASN 586 Ca 0.23 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 57.16 1wsu h ASN 586 Cb 0.18 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.22 1wsu h ASN 586 CO -0.02 0.00 -0.45 0.25 -1.29 0.00 0.00 177.43 175.91 1wsu h LEU 587 N 0.00 0.00 0.00 0.34 5.85 -0.90 -3.32 115.31 117.27 1wsu h LEU 587 Ca 0.00 -0.68 0.00 0.00 0.84 0.00 0.00 57.88 58.04 1wsu h LEU 587 Cb 0.48 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1wsu h LEU 587 CO 0.00 1.10 0.00 0.00 -0.34 0.00 0.00 178.44 179.20 1wsu n ALA 588 N -2.96 1.70 -0.32 1.25 0.00 -0.63 -2.62 120.51 116.93 1wsu n ALA 588 Ca -0.16 -0.05 -0.04 0.00 0.00 0.00 0.00 53.44 53.19 1wsu n ALA 588 Cb 0.49 -1.13 0.08 0.00 0.00 0.00 0.00 19.45 18.89 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 1.02 -0.83 0.00 0.02 -1.64 -2.65 113.55 109.47 1wsu h SER 589 Ca 0.00 -0.05 -0.51 0.00 -0.84 0.00 0.00 61.79 60.39 1wsu h SER 589 Cb 0.03 -0.26 -0.21 0.00 0.14 0.00 0.00 62.40 62.10 1wsu h SER 589 CO 0.00 0.76 0.65 1.07 -1.14 0.00 0.00 176.83 178.17 1wsu n THR 590 N -4.45 3.23 0.00 -2.27 5.66 -1.08 -5.01 114.28 110.36 1wsu n THR 590 Ca 0.09 -2.45 0.00 0.00 -3.05 0.00 0.00 64.05 58.64 1wsu n THR 590 Cb 0.04 -1.28 0.00 0.00 -1.55 0.00 0.00 70.33 67.54 1wsu n THR 590 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wsu n GLY 591 N -0.19 -2.25 1.79 1.09 0.00 -1.00 -5.03 105.19 99.61 1wsu n GLY 591 Ca 0.47 -2.07 -0.17 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.00 -3.40 -3.64 1.61 -0.02 -1.26 -4.30 135.00 123.99 1wsu n PRO 592 Ca 0.00 -0.79 -0.04 0.00 -2.02 0.00 0.00 63.50 60.65 1wsu n PRO 592 Cb 0.00 -1.06 -0.07 0.00 -0.02 0.00 0.00 33.50 32.36 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 -1.60 -0.35 0.75 6.00 -0.12 -1.03 -4.82 117.98 116.81 1wsu s PHE 593 Ca 0.36 0.77 -0.01 0.00 -0.05 0.00 0.00 56.93 58.00 1wsu s PHE 593 Cb -0.06 0.32 0.15 0.00 -0.63 0.00 0.00 43.02 42.80 1wsu s PHE 593 CO 0.30 -0.17 1.04 0.41 -0.05 0.00 0.00 175.22 176.75 1wsu n GLY 594 N 2.74 0.60 0.19 1.99 0.00 -1.26 -1.30 105.19 108.15 1wsu n GLY 594 Ca -0.15 -2.03 -0.05 0.00 0.00 0.00 0.00 46.02 43.79 1wsu n GLY 594 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wsu h LEU 595 N 0.00 0.36 -0.17 0.99 5.85 -1.98 -2.49 115.31 117.87 1wsu h LEU 595 Ca -0.34 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.45 1wsu h LEU 595 Cb 1.26 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.17 1wsu h LEU 595 CO 0.36 0.26 -0.30 0.00 -0.34 0.00 0.00 178.44 178.42 1wsu h ALA 596 N 1.24 -0.30 -1.00 1.25 0.00 -2.00 -1.37 119.26 117.08 1wsu h ALA 596 Ca 0.20 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.22 1wsu h ALA 596 Cb 0.09 0.58 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 1wsu h ALA 596 CO -0.13 -0.76 0.64 0.93 0.00 0.00 0.00 179.25 179.93 1wsu h GLU 597 N -0.35 1.11 -0.27 0.00 5.08 -1.90 -2.17 114.58 116.09 1wsu h GLU 597 Ca 0.11 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1wsu h GLU 597 Cb 0.52 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1wsu h GLU 597 CO -0.37 0.73 0.12 0.00 -1.00 0.00 0.00 179.01 178.50 1wsu h ALA 598 N 1.47 0.32 -0.92 3.43 0.00 -0.85 -2.67 119.26 120.03 1wsu h ALA 598 Ca 0.44 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.46 1wsu h ALA 598 Cb 0.22 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 1wsu h ALA 598 CO -0.19 -0.27 0.59 -0.09 0.00 0.00 0.00 179.25 179.29 1wsu h ARG 599 N 0.27 0.91 -0.21 0.00 2.43 -0.63 -2.69 114.38 114.45 1wsu h ARG 599 Ca 0.11 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1wsu h ARG 599 Cb 0.04 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1wsu h ARG 599 CO -0.08 0.60 0.06 -0.44 -1.51 0.00 0.00 179.97 178.60 1wsu h ASP 600 N 0.94 0.31 -0.72 -3.80 3.32 -1.24 0.36 116.42 115.59 1wsu h ASP 600 Ca 0.43 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 1wsu h ASP 600 Cb 0.39 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 1wsu h ASP 600 CO -0.19 0.44 0.32 0.00 -1.72 0.00 0.00 179.24 178.09 1wsu h ALA 601 N 0.88 1.18 0.00 3.45 0.00 -1.38 -2.57 119.26 120.82 1wsu h ALA 601 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1wsu h ALA 601 Cb 0.24 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1wsu h ALA 601 CO -0.00 0.61 -0.53 1.28 0.00 0.00 0.00 179.25 180.61 1wsu n LEU 602 N -4.31 0.54 -2.66 0.00 4.77 -1.04 -4.95 117.00 109.35 1wsu n LEU 602 Ca 0.07 0.11 -0.21 0.00 -0.03 0.00 0.00 56.01 55.95 1wsu n LEU 602 Cb 0.16 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.02 1wsu n LEU 602 CO 0.40 0.05 -0.16 0.61 -1.33 0.00 0.00 177.39 176.96 1wsu n GLY 603 N 1.44 -0.51 0.00 -0.72 0.00 0.12 -4.97 105.19 100.55 1wsu n GLY 603 Ca 0.05 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1wsu n GLY 603 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wsu n SER 604 N -2.20 0.00 -3.73 1.61 7.64 -0.99 -5.04 113.62 110.92 1wsu n SER 604 Ca -0.19 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.56 1wsu n SER 604 Cb 0.65 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.77 1wsu n SER 604 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wsu s SER 605 N -0.93 -0.29 0.56 6.43 1.04 -1.26 -4.93 113.70 114.32 1wsu s SER 605 Ca 0.00 0.30 0.42 0.00 0.48 0.00 0.00 55.95 57.15 1wsu s SER 605 Cb 0.00 0.44 1.56 0.00 0.10 0.00 0.00 66.02 68.12 1wsu s SER 605 CO 0.00 -0.40 1.64 0.03 0.98 0.00 0.00 173.24 175.48 1wsu h ARG 606 N 4.09 0.00 0.42 4.02 3.08 -1.95 0.10 114.38 124.14 1wsu h ARG 606 Ca -0.29 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 1wsu h ARG 606 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 1wsu h ARG 606 CO 0.37 0.00 -0.31 -0.22 -1.07 0.00 0.00 179.97 178.74 1wsu h LYS 607 N 0.00 -0.69 0.04 0.04 3.64 -2.01 -2.03 116.57 115.56 1wsu h LYS 607 Ca 0.71 0.05 -0.25 0.00 -1.27 0.00 0.00 60.65 59.89 1wsu h LYS 607 Cb 3.01 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 34.97 1wsu h LYS 607 CO -0.01 -0.46 -1.22 1.88 -2.27 0.00 0.00 179.45 177.38 1wsu h TYR 608 N -0.72 0.16 0.00 1.91 -1.99 -1.22 -3.36 116.97 111.75 1wsu h TYR 608 Ca -0.04 -0.12 -0.10 0.00 2.00 0.00 0.00 58.73 60.47 1wsu h TYR 608 Cb 0.61 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.32 1wsu h TYR 608 CO -0.14 1.11 -0.50 0.28 -0.00 0.00 0.00 178.16 178.92 1wsu h VAL 609 N 0.02 1.26 -0.11 -2.88 2.07 -1.17 -3.08 116.25 112.36 1wsu h VAL 609 Ca -0.10 -1.76 -0.04 0.00 0.82 0.00 0.00 66.70 65.62 1wsu h VAL 609 Cb 1.88 1.97 -0.00 0.00 -1.52 0.00 0.00 31.29 33.62 1wsu h VAL 609 CO 0.14 0.49 -0.08 0.25 0.02 0.00 0.00 177.57 178.39 1wsu h LEU 610 N 0.00 0.26 -0.29 2.57 5.85 -1.50 -2.03 115.31 120.16 1wsu h LEU 610 Ca -0.00 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1wsu h LEU 610 Cb 0.93 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 1wsu h LEU 610 CO 0.06 0.65 0.16 -0.65 -0.34 0.00 0.00 178.44 178.32 1wsu h PRO 611 N -0.13 0.41 -0.12 5.25 0.11 -1.73 -1.55 132.00 134.24 1wsu h PRO 611 Ca 0.02 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.12 1wsu h PRO 611 Cb 0.56 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.55 1wsu h PRO 611 CO 0.02 0.36 -0.16 1.25 -0.21 0.00 0.00 178.00 179.26 1wsu h LEU 612 N 0.35 -0.50 -1.80 2.35 5.85 -1.58 0.30 115.31 120.30 1wsu h LEU 612 Ca 0.10 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1wsu h LEU 612 Cb 0.07 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1wsu h LEU 612 CO -0.02 -0.21 -0.08 -0.07 -0.34 0.00 0.00 178.44 177.73 1wsu h LEU 613 N -0.20 0.02 -0.26 2.25 3.38 -1.22 -1.65 115.31 117.63 1wsu h LEU 613 Ca 0.09 -0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.85 1wsu h LEU 613 Cb 0.34 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1wsu h LEU 613 CO -0.24 0.11 -0.83 -0.08 0.09 0.00 0.00 178.44 177.48 1wsu h GLU 614 N 0.03 0.47 -0.43 1.13 4.57 -0.40 -2.80 114.58 117.15 1wsu h GLU 614 Ca 0.01 -0.43 -0.03 0.00 -1.18 0.00 0.00 59.36 57.72 1wsu h GLU 614 Cb 0.16 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 1wsu h GLU 614 CO 0.01 1.08 0.13 -0.92 -1.18 0.00 0.00 179.01 178.12 1wsu h TYR 615 N 0.30 0.63 -0.01 0.92 3.20 -0.08 -2.21 116.97 119.72 1wsu h TYR 615 Ca -0.06 -0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.64 1wsu h TYR 615 Cb 1.44 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.50 1wsu h TYR 615 CO 0.06 0.53 -0.61 -0.07 -1.64 0.00 0.00 178.16 176.43 1wsu h LEU 616 N 0.62 0.04 -0.83 2.82 3.38 -1.24 -1.75 115.31 118.34 1wsu h LEU 616 Ca 0.15 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 1wsu h LEU 616 Cb 0.20 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1wsu h LEU 616 CO -0.01 0.64 -0.41 0.44 0.09 0.00 0.00 178.44 179.19 1wsu h ASP 617 N 0.02 0.38 0.09 -0.43 3.32 -1.15 0.37 116.42 119.02 1wsu h ASP 617 Ca -0.01 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 1wsu h ASP 617 Cb 1.09 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1wsu h ASP 617 CO 0.08 0.75 -0.04 -0.61 -1.72 0.00 0.00 179.24 177.70 1wsu h GLN 618 N 0.30 -0.12 0.00 3.56 4.15 -1.06 -3.10 115.11 118.84 1wsu h GLN 618 Ca 0.03 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1wsu h GLN 618 Cb 0.86 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.58 1wsu h GLN 618 CO 0.07 -0.08 0.00 1.33 -1.93 0.00 0.00 178.83 178.22 1wsu n VAL 619 N -2.47 0.00 -1.72 2.39 0.24 -0.69 -4.76 118.33 111.32 1wsu n VAL 619 Ca -0.02 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.18 1wsu n VAL 619 Cb 0.05 -0.77 -0.02 0.00 -1.47 0.00 0.00 33.84 31.62 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 -0.79 -0.74 0.13 7.34 4.76 -1.01 -4.92 118.16 122.92 1wsu n LYS 620 Ca 0.01 0.68 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 1wsu n LYS 620 Cb 0.00 -4.66 0.08 0.00 -1.84 0.00 0.00 35.03 28.62 1wsu n LYS 620 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1wsu h PHE 621 N 0.00 0.00 -1.50 2.13 3.57 -0.54 -3.43 116.94 117.17 1wsu h PHE 621 Ca -0.22 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1wsu h PHE 621 Cb 0.90 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.64 1wsu h PHE 621 CO 0.27 0.63 0.00 0.25 -2.23 0.00 0.00 178.31 177.23 1wsu n THR 622 N -3.42 0.00 -0.16 4.41 -2.24 -0.90 -2.84 114.28 109.13 1wsu n THR 622 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1wsu n THR 622 Cb 0.72 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 1wsu n THR 622 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1wsu n ARG 623 N 0.00 0.00 0.00 -0.78 1.85 -0.89 -4.35 116.66 112.49 1wsu n ARG 623 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1wsu n ARG 623 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1wsu n ARG 623 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1wsu n LYS 628 N 0.00 0.00 -3.72 2.89 5.02 -1.26 -2.57 118.16 118.53 1wsu n LYS 628 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 1wsu n LYS 628 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 1wsu n LYS 628 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1wsu s ARG 629 N 0.00 0.78 -0.03 1.97 1.81 -0.42 -4.90 118.95 118.16 1wsu s ARG 629 Ca 0.00 -0.23 -0.05 0.00 -1.72 0.00 0.00 55.73 53.73 1wsu s ARG 629 Cb 0.00 0.35 0.01 0.00 -0.45 0.00 0.00 34.95 34.86 1wsu s ARG 629 CO 0.00 -0.24 0.12 0.08 -0.68 0.00 0.00 175.30 174.58 1wsu s VAL 630 N -1.74 0.03 -0.49 3.52 1.01 -1.06 -2.47 120.40 119.21 1wsu s VAL 630 Ca -0.10 -0.24 -0.26 0.00 0.00 0.00 0.00 61.98 61.38 1wsu s VAL 630 Cb -0.03 -0.26 0.03 0.00 0.00 0.00 0.00 36.38 36.12 1wsu s VAL 630 CO 0.02 -0.13 0.98 -0.69 0.00 0.00 0.00 175.10 175.28 1wsu s VAL 631 N -0.40 4.38 -2.56 2.92 1.01 -1.26 -2.10 120.40 122.39 1wsu s VAL 631 Ca -0.05 0.76 0.27 0.00 0.00 0.00 0.00 61.98 62.97 1wsu s VAL 631 Cb -0.03 -4.50 0.50 0.00 0.00 0.00 0.00 36.38 32.35 1wsu s VAL 631 CO 0.00 -0.94 1.68 1.33 0.00 0.00 0.00 175.10 177.17