#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ld8 h VAL 518 N 0.00 0.01 -0.21 0.52 -1.51 -2.06 -2.80 116.25 110.20 1ld8 h VAL 518 Ca 0.00 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 1ld8 h VAL 518 Cb 0.00 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 1ld8 h VAL 518 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 177.57 173.67 1ld8 n TRP 519 N -3.10 0.27 -3.87 5.19 4.27 -1.26 -4.78 117.44 114.17 1ld8 n TRP 519 Ca -0.01 -0.14 -0.16 0.00 -3.89 0.00 0.00 57.50 53.31 1ld8 n TRP 519 Cb 0.23 0.00 -0.16 0.00 -1.36 0.00 0.00 31.31 30.02 1ld8 n TRP 519 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1ld8 s SER 520 N -1.39 0.25 -0.21 -0.67 0.15 -1.06 -4.20 113.70 106.57 1ld8 s SER 520 Ca 0.29 0.00 -0.03 0.00 0.70 0.00 0.00 55.95 56.91 1ld8 s SER 520 Cb 0.15 -0.14 0.07 0.00 -1.71 0.00 0.00 66.02 64.39 1ld8 s SER 520 CO 0.23 -0.10 0.04 -0.70 1.20 0.00 0.00 173.24 173.91 1ld8 s GLU 521 N 0.92 0.68 0.37 5.44 2.12 -0.12 -4.63 118.70 123.49 1ld8 s GLU 521 Ca -0.09 -0.51 -0.27 0.00 0.36 0.00 0.00 54.97 54.46 1ld8 s GLU 521 Cb -0.12 -2.09 -0.12 0.00 0.26 0.00 0.00 34.13 32.06 1ld8 s GLU 521 CO -0.02 -0.69 1.26 -2.30 -0.54 0.00 0.00 175.26 172.97 1ld8 n PRO 522 N 5.02 2.01 -4.75 4.30 -0.02 -1.26 -4.82 135.00 135.47 1ld8 n PRO 522 Ca -0.08 0.71 -0.32 0.00 -2.02 0.00 0.00 63.50 61.79 1ld8 n PRO 522 Cb 0.46 -2.31 -0.13 0.00 -0.02 0.00 0.00 33.50 31.50 1ld8 n PRO 522 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ld8 s LEU 523 N -1.13 2.69 0.19 2.45 1.43 -1.26 -5.02 118.68 118.02 1ld8 s LEU 523 Ca 0.57 -0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 53.24 1ld8 s LEU 523 Cb -0.55 -1.56 0.12 0.00 0.03 0.00 0.00 46.19 44.23 1ld8 s LEU 523 CO 0.61 0.29 1.83 0.22 0.23 0.00 0.00 176.35 179.53 1ld8 h TYR 524 N 4.87 0.68 0.00 0.29 3.20 -1.94 -2.05 116.97 122.01 1ld8 h TYR 524 Ca -0.47 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.42 1ld8 h TYR 524 Cb 1.15 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1ld8 h TYR 524 CO 0.52 0.40 0.00 0.77 -1.64 0.00 0.00 178.16 178.20 1ld8 h SER 525 N 0.72 0.00 -0.03 -2.11 0.02 -1.95 -2.77 113.55 107.43 1ld8 h SER 525 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1ld8 h SER 525 Cb -0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1ld8 h SER 525 CO -0.09 0.00 -0.10 0.18 -1.14 0.00 0.00 176.83 175.68 1ld8 n LEU 526 N -2.39 2.69 -4.75 5.07 4.77 -0.79 -4.87 117.00 116.72 1ld8 n LEU 526 Ca 0.01 -0.95 -0.37 0.00 -0.03 0.00 0.00 56.01 54.67 1ld8 n LEU 526 Cb 0.21 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.33 1ld8 n LEU 526 CO 0.19 0.46 0.90 -0.13 -1.33 0.00 0.00 177.39 177.49 1ld8 s ARG 527 N -2.01 3.15 0.34 3.23 0.52 -1.05 -4.91 118.95 118.22 1ld8 s ARG 527 Ca 0.25 2.01 0.02 0.00 -0.52 0.00 0.00 55.73 57.48 1ld8 s ARG 527 Cb 0.19 -2.15 0.59 0.00 0.52 0.00 0.00 34.95 34.10 1ld8 s ARG 527 CO 0.34 -1.12 1.96 -1.00 0.02 0.00 0.00 175.30 175.51 1ld8 h PRO 528 N 1.31 0.78 0.00 3.54 0.13 -1.93 -1.73 132.00 134.10 1ld8 h PRO 528 Ca -0.50 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1ld8 h PRO 528 Cb 1.29 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1ld8 h PRO 528 CO 0.57 0.58 0.00 0.93 -0.23 0.00 0.00 178.00 179.85 1ld8 h GLU 529 N 0.79 0.00 0.00 0.86 3.07 -1.95 -2.93 114.58 114.43 1ld8 h GLU 529 Ca 0.20 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.05 1ld8 h GLU 529 Cb 0.03 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1ld8 h GLU 529 CO -0.03 0.00 -0.06 1.25 -1.40 0.00 0.00 179.01 178.77 1ld8 h HIS 530 N 0.00 0.00 0.00 4.33 2.76 -1.60 -1.36 115.15 119.27 1ld8 h HIS 530 Ca 0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1ld8 h HIS 530 Cb 0.32 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.28 1ld8 h HIS 530 CO 0.00 0.06 -0.03 0.00 -1.30 0.00 0.00 177.93 176.66 1ld8 h ALA 531 N 1.94 1.44 0.00 5.26 0.00 -1.68 -0.35 119.26 125.86 1ld8 h ALA 531 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ld8 h ALA 531 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ld8 h ALA 531 CO 0.01 0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.84 1ld8 n ARG 532 N -3.76 0.07 -0.00 0.00 3.00 -0.51 -2.58 116.66 112.88 1ld8 n ARG 532 Ca -0.03 0.15 0.14 0.00 -0.01 0.00 0.00 57.85 58.10 1ld8 n ARG 532 Cb 0.12 -1.50 0.66 0.00 0.00 0.00 0.00 32.46 31.74 1ld8 n ARG 532 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1ld8 n GLU 533 N -1.45 1.43 -1.90 5.56 -0.58 -0.14 -4.90 120.64 118.66 1ld8 n GLU 533 Ca 0.06 -0.63 -0.35 0.00 -0.42 0.00 0.00 57.16 55.81 1ld8 n GLU 533 Cb 0.21 -1.48 0.04 0.00 -0.57 0.00 0.00 31.44 29.65 1ld8 n GLU 533 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1ld8 s ARG 534 N -1.99 2.83 0.28 3.49 1.81 -1.06 -4.17 118.95 120.13 1ld8 s ARG 534 Ca 0.41 1.79 -0.30 0.00 -1.72 0.00 0.00 55.73 55.91 1ld8 s ARG 534 Cb 0.21 -1.92 -0.13 0.00 -0.45 0.00 0.00 34.95 32.66 1ld8 s ARG 534 CO 0.34 -1.31 1.32 -0.11 -0.68 0.00 0.00 175.30 174.86 1ld8 n LEU 535 N -1.82 3.06 -4.14 2.53 7.94 -1.26 -4.97 117.00 118.33 1ld8 n LEU 535 Ca 0.13 1.17 -0.36 0.00 -1.11 0.00 0.00 56.01 55.84 1ld8 n LEU 535 Cb 0.50 -1.42 -0.12 0.00 0.53 0.00 0.00 43.42 42.90 1ld8 n LEU 535 CO 0.45 -0.62 -0.23 -1.10 -1.11 0.00 0.00 177.39 174.79 1ld8 s GLN 536 N -1.04 2.14 0.00 1.96 -0.21 -1.26 -4.96 119.66 116.29 1ld8 s GLN 536 Ca 0.63 -1.63 0.12 0.00 0.02 0.00 0.00 55.36 54.50 1ld8 s GLN 536 Cb -0.63 -3.46 0.47 0.00 1.00 0.00 0.00 33.01 30.38 1ld8 s GLN 536 CO 0.55 -0.92 1.34 -0.40 -2.12 0.00 0.00 175.29 173.74 1ld8 n ASP 537 N 4.61 1.08 -1.67 5.90 5.68 -1.26 -4.90 116.55 125.99 1ld8 n ASP 537 Ca -0.06 -1.84 -0.15 0.00 -0.50 0.00 0.00 54.79 52.25 1ld8 n ASP 537 Cb 0.42 -0.11 -0.05 0.00 -1.14 0.00 0.00 41.12 40.24 1ld8 n ASP 537 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1ld8 n ASP 538 N 0.02 -4.03 -1.49 -1.12 8.00 -1.26 -0.72 116.55 115.95 1ld8 n ASP 538 Ca 0.10 0.31 -0.16 0.00 0.71 0.00 0.00 54.79 55.75 1ld8 n ASP 538 Cb 0.20 -3.63 -0.04 0.00 -0.02 0.00 0.00 41.12 37.62 1ld8 n ASP 538 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ld8 n SER 539 N -0.96 -4.86 -3.91 -2.24 7.64 -1.26 -4.97 113.62 103.06 1ld8 n SER 539 Ca -0.15 0.22 -0.30 0.00 1.01 0.00 0.00 58.87 59.64 1ld8 n SER 539 Cb 0.52 -3.86 -0.15 0.00 -1.01 0.00 0.00 64.21 59.70 1ld8 n SER 539 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ld8 s VAL 540 N -2.68 1.65 -0.02 0.44 1.01 0.10 -5.11 120.40 115.79 1ld8 s VAL 540 Ca 0.00 -1.76 -0.18 0.00 0.00 0.00 0.00 61.98 60.04 1ld8 s VAL 540 Cb 0.00 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 1ld8 s VAL 540 CO 0.00 -0.49 0.52 -1.61 0.00 0.00 0.00 175.10 173.52 1ld8 s GLU 541 N 1.25 4.21 0.15 2.72 2.02 -1.26 -4.91 118.70 122.88 1ld8 s GLU 541 Ca 0.06 0.59 -0.01 0.00 0.02 0.00 0.00 54.97 55.63 1ld8 s GLU 541 Cb -0.18 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.69 1ld8 s GLU 541 CO -0.13 0.44 0.08 0.95 0.02 0.00 0.00 175.26 176.63 1ld8 s THR 542 N -0.37 0.08 0.31 3.63 -4.23 -1.26 -5.02 115.64 108.78 1ld8 s THR 542 Ca 0.28 -1.90 0.08 0.00 -1.18 0.00 0.00 61.69 58.96 1ld8 s THR 542 Cb -0.17 -2.12 0.30 0.00 1.34 0.00 0.00 72.50 71.85 1ld8 s THR 542 CO 0.15 -0.36 1.74 0.58 -0.54 0.00 0.00 174.62 176.18 1ld8 h VAL 543 N 2.80 0.57 0.19 2.29 2.07 -1.99 -1.68 116.25 120.50 1ld8 h VAL 543 Ca -0.35 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1ld8 h VAL 543 Cb 1.21 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1ld8 h VAL 543 CO 0.57 0.11 -0.12 0.74 0.02 0.00 0.00 177.57 178.89 1ld8 h THR 544 N 0.60 0.74 -0.33 2.57 2.02 -1.96 -1.96 112.91 114.60 1ld8 h THR 544 Ca 0.61 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.70 1ld8 h THR 544 Cb 1.11 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 1ld8 h THR 544 CO -0.46 0.00 -0.20 0.77 0.37 0.00 0.00 175.52 176.00 1ld8 h SER 545 N -0.30 0.62 -0.41 4.18 4.64 -1.73 -1.88 113.55 118.67 1ld8 h SER 545 Ca -0.02 -0.20 -0.02 0.00 -0.47 0.00 0.00 61.79 61.08 1ld8 h SER 545 Cb 0.25 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 1ld8 h SER 545 CO 0.01 0.82 0.18 0.40 -0.87 0.00 0.00 176.83 177.38 1ld8 h ILE 546 N 0.55 1.18 -0.47 0.95 2.04 -1.25 0.10 117.51 120.62 1ld8 h ILE 546 Ca 0.09 -0.53 -0.12 0.00 1.00 0.00 0.00 64.86 65.29 1ld8 h ILE 546 Cb 0.65 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1ld8 h ILE 546 CO 0.05 0.20 -0.19 -0.33 0.00 0.00 0.00 178.15 177.87 1ld8 h GLU 547 N 0.51 0.96 -0.47 2.37 4.39 -1.23 -2.09 114.58 119.03 1ld8 h GLU 547 Ca 0.14 -0.40 -0.02 0.00 0.34 0.00 0.00 59.36 59.42 1ld8 h GLU 547 Cb 0.14 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1ld8 h GLU 547 CO -0.02 1.07 0.23 0.37 -1.16 0.00 0.00 179.01 179.50 1ld8 h GLN 548 N 0.81 0.67 -0.54 2.33 5.75 -1.18 -2.24 115.11 120.72 1ld8 h GLN 548 Ca 0.11 -0.10 -0.04 0.00 -0.15 0.00 0.00 58.65 58.47 1ld8 h GLN 548 Cb 0.76 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.17 1ld8 h GLN 548 CO 0.06 0.57 0.17 0.00 -2.65 0.00 0.00 178.83 176.98 1ld8 h ALA 549 N 1.07 1.30 -0.53 3.38 0.00 -0.87 -1.48 119.26 122.12 1ld8 h ALA 549 Ca 0.16 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1ld8 h ALA 549 Cb 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1ld8 h ALA 549 CO -0.02 0.51 0.12 0.87 0.00 0.00 0.00 179.25 180.73 1ld8 h LYS 550 N 0.78 0.86 -0.27 0.00 1.57 -1.02 -1.19 116.57 117.29 1ld8 h LYS 550 Ca 0.18 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1ld8 h LYS 550 Cb 0.22 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1ld8 h LYS 550 CO -0.01 0.82 0.08 0.28 -0.57 0.00 0.00 179.45 180.05 1ld8 h VAL 551 N 0.75 1.20 -1.00 0.50 2.07 -1.07 -2.73 116.25 115.98 1ld8 h VAL 551 Ca 0.17 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 67.05 1ld8 h VAL 551 Cb 0.35 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 1ld8 h VAL 551 CO 0.00 0.21 0.66 -0.33 0.02 0.00 0.00 177.57 178.14 1ld8 h GLU 552 N 0.28 1.30 -0.53 1.57 5.08 -1.09 -0.29 114.58 120.90 1ld8 h GLU 552 Ca 0.09 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1ld8 h GLU 552 Cb 0.25 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1ld8 h GLU 552 CO -0.00 0.86 0.26 1.49 -1.00 0.00 0.00 179.01 180.62 1ld8 h GLU 553 N 1.34 0.76 -0.44 2.33 4.57 -1.10 -0.27 114.58 121.78 1ld8 h GLU 553 Ca 0.37 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 58.39 1ld8 h GLU 553 Cb -0.14 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.29 1ld8 h GLU 553 CO -0.08 0.62 0.08 -0.22 -1.18 0.00 0.00 179.01 178.23 1ld8 h LYS 554 N 0.71 0.71 -0.59 1.92 1.63 -1.14 -2.74 116.57 117.07 1ld8 h LYS 554 Ca 0.18 -0.19 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 1ld8 h LYS 554 Cb 0.11 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.62 1ld8 h LYS 554 CO -0.02 0.74 0.22 0.82 -3.45 0.00 0.00 179.45 177.75 1ld8 h ILE 555 N 0.58 1.22 -0.69 2.00 1.08 -0.75 -2.02 117.51 118.93 1ld8 h ILE 555 Ca 0.13 -0.70 -0.05 0.00 -0.39 0.00 0.00 64.86 63.85 1ld8 h ILE 555 Cb 0.36 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 34.61 1ld8 h ILE 555 CO 0.01 0.28 0.23 -0.61 -0.69 0.00 0.00 178.15 177.37 1ld8 h GLN 556 N 0.85 1.06 -0.56 2.37 5.75 -0.91 0.47 115.11 124.14 1ld8 h GLN 556 Ca 0.20 -0.22 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1ld8 h GLN 556 Cb 0.19 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 1ld8 h GLN 556 CO -0.02 0.90 0.36 0.93 -2.65 0.00 0.00 178.83 178.36 1ld8 h GLU 557 N 1.00 0.75 0.03 1.69 5.08 -1.15 -0.41 114.58 121.56 1ld8 h GLU 557 Ca 0.22 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1ld8 h GLU 557 Cb 0.27 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1ld8 h GLU 557 CO -0.01 0.51 -0.01 0.28 -1.00 0.00 0.00 179.01 178.78 1ld8 h VAL 558 N 0.76 1.08 -0.40 3.13 2.07 -0.96 -2.43 116.25 119.49 1ld8 h VAL 558 Ca 0.20 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 67.49 1ld8 h VAL 558 Cb -0.06 1.29 -0.07 0.00 -1.52 0.00 0.00 31.29 30.92 1ld8 h VAL 558 CO -0.04 0.08 -0.08 -0.26 0.02 0.00 0.00 177.57 177.29 1ld8 h PHE 559 N -0.17 -0.18 -0.08 1.57 0.05 -0.65 -0.93 116.94 116.55 1ld8 h PHE 559 Ca -0.00 0.03 0.02 0.00 3.82 0.00 0.00 57.97 61.84 1ld8 h PHE 559 Cb 0.16 0.14 -0.00 0.00 2.00 0.00 0.00 35.95 38.25 1ld8 h PHE 559 CO -0.03 -0.16 0.06 0.77 -0.18 0.00 0.00 178.31 178.78 1ld8 h SER 560 N 0.02 0.00 0.58 2.17 0.02 -0.94 -1.67 113.55 113.73 1ld8 h SER 560 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1ld8 h SER 560 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1ld8 h SER 560 CO -0.40 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 173.75 1ld8 n SER 561 N -4.27 0.10 -0.94 3.07 3.41 -0.36 -2.20 113.62 112.43 1ld8 n SER 561 Ca -0.01 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 59.23 1ld8 n SER 561 Cb 0.17 -0.54 0.14 0.00 -0.26 0.00 0.00 64.21 63.72 1ld8 n SER 561 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1ld8 n TYR 562 N -1.61 0.24 -5.01 7.33 4.02 -0.63 -4.93 117.16 116.58 1ld8 n TYR 562 Ca 0.04 -0.14 -0.32 0.00 -0.01 0.00 0.00 57.90 57.46 1ld8 n TYR 562 Cb 0.19 -0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.36 1ld8 n TYR 562 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1ld8 s LYS 563 N -1.54 2.89 -0.54 -0.72 2.20 -0.93 -4.38 119.74 116.72 1ld8 s LYS 563 Ca 0.30 -0.78 0.06 0.00 -0.36 0.00 0.00 55.97 55.19 1ld8 s LYS 563 Cb 0.19 -2.39 0.23 0.00 -1.51 0.00 0.00 37.83 34.35 1ld8 s LYS 563 CO 0.27 0.35 0.59 1.19 -0.36 0.00 0.00 175.35 177.39 1ld8 n PHE 564 N 3.08 1.75 0.00 4.03 3.01 -0.21 -4.98 117.46 124.14 1ld8 n PHE 564 Ca -0.18 -3.89 0.00 0.00 1.01 0.00 0.00 57.45 54.39 1ld8 n PHE 564 Cb 0.52 -0.40 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 1ld8 n PHE 564 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1ld8 n ASN 565 N 1.42 0.00 -0.01 4.37 3.02 -1.26 -1.01 115.26 121.79 1ld8 n ASN 565 Ca 0.26 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.95 1ld8 n ASN 565 Cb 0.45 0.00 0.70 0.00 -0.61 0.00 0.00 39.78 40.32 1ld8 n ASN 565 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1ld8 n HIS 566 N 14.00 0.00 -3.22 3.10 -0.00 -1.26 -4.70 115.22 123.14 1ld8 n HIS 566 Ca 0.00 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.78 1ld8 n HIS 566 Cb 0.00 -0.31 -0.07 0.00 -0.12 0.00 0.00 29.99 29.48 1ld8 n HIS 566 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1ld8 s LEU 567 N -2.65 4.06 -0.44 0.27 2.96 -0.18 -5.01 118.68 117.69 1ld8 s LEU 567 Ca 0.25 0.56 0.02 0.00 -0.22 0.00 0.00 54.13 54.74 1ld8 s LEU 567 Cb 0.20 -2.70 0.14 0.00 0.50 0.00 0.00 46.19 44.33 1ld8 s LEU 567 CO 0.48 -0.29 0.26 -0.69 -1.32 0.00 0.00 176.35 174.79 1ld8 s VAL 568 N 2.30 1.21 0.45 1.68 1.01 -1.26 -1.04 120.40 124.74 1ld8 s VAL 568 Ca 0.22 -2.54 -0.24 0.00 0.00 0.00 0.00 61.98 59.42 1ld8 s VAL 568 Cb -0.16 -1.84 -0.09 0.00 0.00 0.00 0.00 36.38 34.29 1ld8 s VAL 568 CO 0.09 -0.95 1.10 -2.65 0.00 0.00 0.00 175.10 172.69 1ld8 n PRO 569 N 3.46 1.48 -1.77 2.72 -0.02 -1.26 -0.94 135.00 138.67 1ld8 n PRO 569 Ca 0.12 0.53 -0.41 0.00 -2.02 0.00 0.00 63.50 61.72 1ld8 n PRO 569 Cb 0.36 -2.19 0.01 0.00 -0.02 0.00 0.00 33.50 31.66 1ld8 n PRO 569 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ld8 n ARG 570 N -0.10 2.51 -2.46 -0.52 1.74 -1.26 -4.72 116.66 111.86 1ld8 n ARG 570 Ca 0.09 0.89 -0.37 0.00 -0.77 0.00 0.00 57.85 57.69 1ld8 n ARG 570 Cb 0.41 -2.66 -0.03 0.00 -1.02 0.00 0.00 32.46 29.16 1ld8 n ARG 570 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ld8 s LEU 571 N -2.31 4.14 -0.09 0.55 1.43 -1.26 -4.72 118.68 116.41 1ld8 s LEU 571 Ca 0.56 2.13 0.03 0.00 -1.03 0.00 0.00 54.13 55.82 1ld8 s LEU 571 Cb -0.46 -4.15 0.01 0.00 0.03 0.00 0.00 46.19 41.61 1ld8 s LEU 571 CO 0.61 -0.58 -0.17 -0.69 0.23 0.00 0.00 176.35 175.75 1ld8 s VAL 572 N -1.59 1.56 -0.22 -1.59 1.01 -1.26 -2.15 120.40 116.16 1ld8 s VAL 572 Ca 0.58 -0.71 -0.25 0.00 0.00 0.00 0.00 61.98 61.60 1ld8 s VAL 572 Cb -0.25 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 1ld8 s VAL 572 CO 0.31 0.45 0.83 -0.22 0.00 0.00 0.00 175.10 176.47 1ld8 s LEU 573 N 0.62 4.11 -1.39 3.92 2.96 -1.26 -4.94 118.68 122.70 1ld8 s LEU 573 Ca -0.14 1.08 -0.13 0.00 -0.22 0.00 0.00 54.13 54.72 1ld8 s LEU 573 Cb -0.16 -3.20 -0.04 0.00 0.50 0.00 0.00 46.19 43.29 1ld8 s LEU 573 CO 0.04 -0.48 2.45 0.00 -1.32 0.00 0.00 176.35 177.04 1ld8 n GLN 574 N 5.75 2.93 -0.23 1.98 1.13 -1.26 -4.78 117.38 122.90 1ld8 n GLN 574 Ca 0.05 -2.26 -0.09 0.00 -1.94 0.00 0.00 57.00 52.76 1ld8 n GLN 574 Cb 0.48 -2.99 -0.05 0.00 0.11 0.00 0.00 30.24 27.79 1ld8 n GLN 574 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ld8 h ARG 575 N 5.88 -0.20 -0.94 -1.09 3.08 -1.97 -1.76 114.38 117.38 1ld8 h ARG 575 Ca 0.66 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.76 1ld8 h ARG 575 Cb 0.47 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.51 1ld8 h ARG 575 CO 1.82 -0.14 0.62 0.93 -1.07 0.00 0.00 179.97 182.13 1ld8 h GLU 576 N -0.21 1.12 -0.32 0.04 4.39 -1.99 0.15 114.58 117.76 1ld8 h GLU 576 Ca 0.17 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.75 1ld8 h GLU 576 Cb 0.55 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1ld8 h GLU 576 CO -0.72 0.74 -0.01 0.87 -1.16 0.00 0.00 179.01 178.73 1ld8 h LYS 577 N 1.16 0.57 -0.67 2.33 1.57 -1.78 -2.09 116.57 117.66 1ld8 h LYS 577 Ca 0.38 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1ld8 h LYS 577 Cb 0.05 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1ld8 h LYS 577 CO -0.12 0.71 0.31 0.45 -0.57 0.00 0.00 179.45 180.23 1ld8 h HIS 578 N 0.37 0.97 -0.20 -1.35 3.86 -0.79 -2.36 115.15 115.65 1ld8 h HIS 578 Ca 0.09 -0.05 0.03 0.00 -1.16 0.00 0.00 60.37 59.27 1ld8 h HIS 578 Cb 0.46 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.61 1ld8 h HIS 578 CO 0.04 0.73 0.03 0.35 0.86 0.00 0.00 177.93 179.94 1ld8 h PHE 579 N 0.93 0.05 -0.50 2.45 3.57 -0.57 -0.57 116.94 122.30 1ld8 h PHE 579 Ca 0.23 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.69 1ld8 h PHE 579 Cb 0.14 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1ld8 h PHE 579 CO 0.01 0.01 0.11 0.45 -2.23 0.00 0.00 178.31 176.65 1ld8 h HIS 580 N 0.11 0.79 -0.28 0.41 3.86 -1.23 0.20 115.15 119.01 1ld8 h HIS 580 Ca 0.09 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 1ld8 h HIS 580 Cb 0.09 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 1ld8 h HIS 580 CO -0.15 0.68 0.04 -0.92 0.86 0.00 0.00 177.93 178.44 1ld8 h TYR 581 N 0.74 0.49 -0.19 2.45 3.20 -1.10 -2.18 116.97 120.37 1ld8 h TYR 581 Ca 0.16 -0.07 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 1ld8 h TYR 581 Cb 0.30 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1ld8 h TYR 581 CO 0.02 0.56 0.01 -0.07 -1.64 0.00 0.00 178.16 177.04 1ld8 h LEU 582 N 0.27 0.32 -0.80 2.82 3.38 -0.75 -2.18 115.31 118.36 1ld8 h LEU 582 Ca 0.08 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 57.85 1ld8 h LEU 582 Cb 0.34 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 1ld8 h LEU 582 CO 0.01 0.53 0.46 0.50 0.09 0.00 0.00 178.44 180.03 1ld8 h LYS 583 N 0.10 0.77 -0.27 1.13 3.64 -0.60 -1.95 116.57 119.39 1ld8 h LYS 583 Ca 0.06 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1ld8 h LYS 583 Cb 0.36 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1ld8 h LYS 583 CO 0.01 0.51 -0.04 -0.09 -2.27 0.00 0.00 179.45 177.57 1ld8 h ARG 584 N 0.80 0.51 0.00 1.90 9.65 -1.31 -3.15 114.38 122.78 1ld8 h ARG 584 Ca 0.38 -0.19 -0.03 0.00 -1.10 0.00 0.00 59.98 59.04 1ld8 h ARG 584 Cb 0.31 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.85 1ld8 h ARG 584 CO -0.23 0.71 -0.13 0.78 2.80 0.00 0.00 179.97 183.90 1ld8 h GLY 585 N 0.28 0.00 2.00 2.80 0.00 -0.86 -2.57 103.07 104.72 1ld8 h GLY 585 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1ld8 h GLY 585 CO 0.02 0.00 -0.03 -2.00 0.00 0.00 0.00 176.54 174.53 1ld8 h LEU 586 N 0.00 0.00 0.00 3.11 5.85 -1.32 -3.33 115.31 119.62 1ld8 h LEU 586 Ca -0.00 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 1ld8 h LEU 586 Cb 0.28 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1ld8 h LEU 586 CO 0.02 0.03 -1.50 0.54 -0.34 0.00 0.00 178.44 177.19 1ld8 n ARG 587 N -3.19 0.49 -4.15 1.25 5.12 -0.99 -5.07 116.66 110.11 1ld8 n ARG 587 Ca -0.01 0.20 -0.10 0.00 -1.93 0.00 0.00 57.85 56.02 1ld8 n ARG 587 Cb 0.24 -1.34 -0.10 0.00 -1.16 0.00 0.00 32.46 30.10 1ld8 n ARG 587 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1ld8 s GLN 588 N -2.65 0.79 0.01 5.56 -0.21 -1.07 -5.16 119.66 116.92 1ld8 s GLN 588 Ca -0.29 -1.31 -0.08 0.00 0.02 0.00 0.00 55.36 53.70 1ld8 s GLN 588 Cb 0.08 -0.10 0.00 0.00 1.00 0.00 0.00 33.01 33.99 1ld8 s GLN 588 CO 0.40 -0.05 0.15 -0.51 -2.12 0.00 0.00 175.29 173.16 1ld8 s LEU 589 N -3.02 1.51 0.90 2.90 1.43 -1.26 -4.29 118.68 116.85 1ld8 s LEU 589 Ca 0.11 -0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 52.84 1ld8 s LEU 589 Cb 0.06 0.74 0.13 0.00 0.03 0.00 0.00 46.19 47.15 1ld8 s LEU 589 CO -0.06 -0.41 1.15 0.42 0.23 0.00 0.00 176.35 177.68 1ld8 s THR 590 N -1.65 1.99 -1.64 5.49 -4.23 -1.26 -4.88 115.64 109.46 1ld8 s THR 590 Ca -0.13 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.45 1ld8 s THR 590 Cb -0.06 -2.80 0.15 0.00 1.34 0.00 0.00 72.50 71.12 1ld8 s THR 590 CO 0.01 0.00 1.00 -0.90 -0.54 0.00 0.00 174.62 174.18 1ld8 n ASP 591 N -3.69 0.00 0.26 3.99 5.68 -1.26 -1.39 116.55 120.14 1ld8 n ASP 591 Ca 0.07 0.04 0.18 0.00 -0.50 0.00 0.00 54.79 54.58 1ld8 n ASP 591 Cb 0.60 -0.18 0.82 0.00 -1.14 0.00 0.00 41.12 41.21 1ld8 n ASP 591 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ld8 h ALA 592 N 2.36 1.00 -0.54 2.12 0.00 -2.06 -1.64 119.26 120.50 1ld8 h ALA 592 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ld8 h ALA 592 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ld8 h ALA 592 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 1ld8 n TYR 593 N -2.87 1.32 0.25 0.00 4.02 -0.49 -4.24 117.16 115.16 1ld8 n TYR 593 Ca -0.01 -0.52 0.10 0.00 -0.01 0.00 0.00 57.90 57.47 1ld8 n TYR 593 Cb 0.19 -0.24 0.66 0.00 -0.02 0.00 0.00 39.34 39.94 1ld8 n TYR 593 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1ld8 h GLU 594 N 3.47 0.00 0.00 -0.72 5.08 -1.50 -0.87 114.58 120.04 1ld8 h GLU 594 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ld8 h GLU 594 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1ld8 h GLU 594 CO 0.22 0.12 0.00 0.00 -1.00 0.00 0.00 179.01 178.36 1ld8 n LEU 596 N -1.58 3.11 0.17 0.00 4.77 -0.34 -4.66 117.00 118.47 1ld8 n LEU 596 Ca 0.03 -2.80 0.12 0.00 -0.03 0.00 0.00 56.01 53.33 1ld8 n LEU 596 Cb 0.17 -0.41 0.60 0.00 -2.33 0.00 0.00 43.42 41.44 1ld8 n LEU 596 CO 0.13 0.68 0.87 -0.78 -1.33 0.00 0.00 177.39 176.96 1ld8 h ASP 597 N 1.12 0.00 -0.32 -1.43 3.58 -1.37 -0.25 116.42 117.75 1ld8 h ASP 597 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ld8 h ASP 597 Cb 1.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1ld8 h ASP 597 CO 0.10 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.46 1ld8 n ALA 598 N -1.81 3.13 -2.50 -0.78 0.00 -1.26 -4.38 120.51 112.91 1ld8 n ALA 598 Ca -0.00 -2.21 0.01 0.00 0.00 0.00 0.00 53.44 51.24 1ld8 n ALA 598 Cb 0.11 -0.78 0.02 0.00 0.00 0.00 0.00 19.45 18.79 1ld8 n ALA 598 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ld8 n SER 599 N -0.27 0.68 0.03 0.00 7.64 -0.11 -4.03 113.62 117.57 1ld8 n SER 599 Ca 0.22 -2.02 0.02 0.00 1.01 0.00 0.00 58.87 58.11 1ld8 n SER 599 Cb 0.94 -0.19 0.37 0.00 -1.01 0.00 0.00 64.21 64.31 1ld8 n SER 599 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1ld8 h ARG 600 N 1.18 0.45 0.00 1.43 3.08 -1.19 -1.10 114.38 118.23 1ld8 h ARG 600 Ca -0.27 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.68 1ld8 h ARG 600 Cb 1.66 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.63 1ld8 h ARG 600 CO 0.04 0.43 -0.14 -1.35 -1.07 0.00 0.00 179.97 177.89 1ld8 h PRO 601 N 0.44 0.00 -0.50 0.04 0.11 -1.84 -1.43 132.00 128.82 1ld8 h PRO 601 Ca 0.10 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.13 1ld8 h PRO 601 Cb 0.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 1ld8 h PRO 601 CO -0.00 0.14 -0.03 -1.49 -0.21 0.00 0.00 178.00 176.41 1ld8 h TRP 602 N 0.00 0.99 -0.80 0.65 4.06 -1.51 -0.97 115.95 118.38 1ld8 h TRP 602 Ca -0.00 -0.18 -0.01 0.00 2.06 0.00 0.00 58.89 60.76 1ld8 h TRP 602 Cb 0.33 -0.25 -0.04 0.00 -1.00 0.00 0.00 29.16 28.20 1ld8 h TRP 602 CO 0.00 0.94 0.46 -0.07 -3.56 0.00 0.00 178.44 176.21 1ld8 h LEU 603 N 0.77 0.98 -0.17 -4.49 3.38 -1.09 0.17 115.31 114.86 1ld8 h LEU 603 Ca 0.14 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1ld8 h LEU 603 Cb 0.56 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1ld8 h LEU 603 CO 0.03 0.77 0.10 0.00 0.09 0.00 0.00 178.44 179.43 1ld8 h TYR 605 N 0.19 -0.27 -0.75 0.00 3.20 -0.80 -0.24 116.97 118.30 1ld8 h TYR 605 Ca 0.06 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.00 1ld8 h TYR 605 Cb 0.04 0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.33 1ld8 h TYR 605 CO -0.05 -0.04 0.42 -1.49 -1.64 0.00 0.00 178.16 175.36 1ld8 h TRP 606 N -0.47 0.77 -0.09 -3.82 6.55 -0.66 0.54 115.95 118.77 1ld8 h TRP 606 Ca -0.03 0.03 -0.05 0.00 0.95 0.00 0.00 58.89 59.79 1ld8 h TRP 606 Cb 0.35 -0.23 -0.00 0.00 -0.86 0.00 0.00 29.16 28.42 1ld8 h TRP 606 CO -0.01 0.34 -0.14 0.82 -1.05 0.00 0.00 178.44 178.39 1ld8 h ILE 607 N 0.74 1.39 -0.66 1.49 2.04 -1.28 -2.14 117.51 119.09 1ld8 h ILE 607 Ca 0.35 -1.39 -0.05 0.00 1.00 0.00 0.00 64.86 64.76 1ld8 h ILE 607 Cb 0.27 2.09 -0.03 0.00 -0.74 0.00 0.00 36.82 38.41 1ld8 h ILE 607 CO -0.22 0.40 0.20 -0.07 0.00 0.00 0.00 178.15 178.46 1ld8 h LEU 608 N -0.19 0.94 -0.61 1.44 3.38 -0.83 -1.20 115.31 118.24 1ld8 h LEU 608 Ca 0.01 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 57.67 1ld8 h LEU 608 Cb 0.71 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1ld8 h LEU 608 CO 0.03 0.88 -0.51 -0.74 0.09 0.00 0.00 178.44 178.19 1ld8 h HIS 609 N 0.97 0.59 -0.34 1.13 2.76 -0.94 0.05 115.15 119.37 1ld8 h HIS 609 Ca 0.21 -0.20 -0.05 0.00 -2.20 0.00 0.00 60.37 58.13 1ld8 h HIS 609 Cb 0.28 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 1ld8 h HIS 609 CO 0.02 0.89 0.01 0.77 -1.30 0.00 0.00 177.93 178.32 1ld8 h SER 610 N 0.37 0.59 -0.73 3.26 0.02 -1.06 0.34 113.55 116.33 1ld8 h SER 610 Ca 0.01 -0.30 -0.05 0.00 -0.84 0.00 0.00 61.79 60.62 1ld8 h SER 610 Cb 1.03 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.38 1ld8 h SER 610 CO 0.09 0.75 0.27 -0.07 -1.14 0.00 0.00 176.83 176.73 1ld8 h LEU 611 N 0.42 1.03 -0.50 5.07 3.38 -1.11 -1.05 115.31 122.55 1ld8 h LEU 611 Ca 0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1ld8 h LEU 611 Cb 0.44 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1ld8 h LEU 611 CO 0.02 0.93 0.28 -0.08 0.09 0.00 0.00 178.44 179.68 1ld8 h GLU 612 N 1.06 0.69 -0.57 1.13 4.81 -0.76 0.90 114.58 121.84 1ld8 h GLU 612 Ca 0.24 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1ld8 h GLU 612 Cb 0.24 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1ld8 h GLU 612 CO -0.02 0.53 0.19 -0.07 -0.73 0.00 0.00 179.01 178.91 1ld8 h LEU 613 N 0.66 0.79 -0.08 1.64 3.38 -0.51 -1.40 115.31 119.79 1ld8 h LEU 613 Ca 0.18 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1ld8 h LEU 613 Cb 0.03 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1ld8 h LEU 613 CO -0.03 0.74 0.00 0.18 0.09 0.00 0.00 178.44 179.42 1ld8 n LEU 614 N -4.30 0.12 -3.77 1.67 4.77 -0.43 -0.98 117.00 114.08 1ld8 n LEU 614 Ca 0.04 -0.05 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 1ld8 n LEU 614 Cb 0.20 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 41.33 1ld8 n LEU 614 CO 0.39 0.02 0.15 -0.67 -1.33 0.00 0.00 177.39 175.96 1ld8 n ASP 615 N -0.77 -5.15 -4.58 -1.43 2.03 -0.53 -4.96 116.55 101.16 1ld8 n ASP 615 Ca 0.17 -0.68 -0.38 0.00 0.52 0.00 0.00 54.79 54.42 1ld8 n ASP 615 Cb 0.10 -4.38 -0.11 0.00 -0.72 0.00 0.00 41.12 36.01 1ld8 n ASP 615 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1ld8 s GLU 616 N -6.43 3.92 0.56 -0.67 0.41 0.21 -5.03 118.70 111.67 1ld8 s GLU 616 Ca 0.58 -0.34 -0.21 0.00 -0.41 0.00 0.00 54.97 54.59 1ld8 s GLU 616 Cb -0.28 -3.60 -0.04 0.00 -1.78 0.00 0.00 34.13 28.43 1ld8 s GLU 616 CO 0.79 -0.15 1.32 -1.25 -0.49 0.00 0.00 175.26 175.47 1ld8 s PRO 617 N 1.65 3.11 -0.34 0.39 0.04 -1.26 -4.46 135.00 134.12 1ld8 s PRO 617 Ca 0.07 2.13 -0.11 0.00 0.04 0.00 0.00 61.00 63.13 1ld8 s PRO 617 Cb -0.16 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1ld8 s PRO 617 CO 0.09 -1.18 0.19 0.42 0.04 0.00 0.00 177.00 176.57 1ld8 s ILE 618 N -1.37 4.75 0.41 0.56 1.01 -1.26 -5.06 121.20 120.24 1ld8 s ILE 618 Ca 0.73 -0.54 -0.25 0.00 0.00 0.00 0.00 60.65 60.59 1ld8 s ILE 618 Cb -0.38 -3.51 -0.11 0.00 0.01 0.00 0.00 42.46 38.47 1ld8 s ILE 618 CO 0.44 -0.06 1.00 -2.65 0.00 0.00 0.00 174.94 173.67 1ld8 n PRO 619 N 5.02 1.35 -0.31 2.79 -0.02 -1.26 -4.74 135.00 137.83 1ld8 n PRO 619 Ca -0.13 0.48 0.04 0.00 -2.02 0.00 0.00 63.50 61.88 1ld8 n PRO 619 Cb 0.48 -2.02 0.19 0.00 -0.02 0.00 0.00 33.50 32.13 1ld8 n PRO 619 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1ld8 h GLN 620 N 1.59 0.83 -0.34 -0.52 -0.00 -1.99 -0.27 115.11 114.42 1ld8 h GLN 620 Ca -0.44 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.15 1ld8 h GLN 620 Cb 1.34 -0.19 -0.02 0.00 0.00 0.00 0.00 27.48 28.61 1ld8 h GLN 620 CO 0.57 0.55 0.18 0.82 0.00 0.00 0.00 178.83 180.95 1ld8 h ILE 621 N 0.86 1.15 -0.68 2.39 2.04 -1.99 -0.61 117.51 120.66 1ld8 h ILE 621 Ca 0.43 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1ld8 h ILE 621 Cb 0.40 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1ld8 h ILE 621 CO -0.25 0.15 0.33 0.58 0.00 0.00 0.00 178.15 178.96 1ld8 h VAL 622 N 0.42 1.23 -0.25 1.67 2.07 -1.75 -0.99 116.25 118.64 1ld8 h VAL 622 Ca 0.12 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 67.02 1ld8 h VAL 622 Cb 0.09 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1ld8 h VAL 622 CO -0.02 0.26 0.15 0.00 0.02 0.00 0.00 177.57 177.98 1ld8 h ALA 623 N 1.16 0.31 -0.37 1.67 0.00 -0.70 -0.48 119.26 120.85 1ld8 h ALA 623 Ca 0.23 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 1ld8 h ALA 623 Cb 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1ld8 h ALA 623 CO -0.03 -0.24 -0.14 1.79 0.00 0.00 0.00 179.25 180.63 1ld8 h THR 624 N 0.30 1.25 -0.58 0.00 1.35 -0.90 -1.72 112.91 112.61 1ld8 h THR 624 Ca 0.10 -1.15 -0.06 0.00 -0.55 0.00 0.00 66.41 64.75 1ld8 h THR 624 Cb -0.01 1.12 -0.02 0.00 -1.73 0.00 0.00 68.15 67.51 1ld8 h THR 624 CO -0.04 0.38 0.14 0.44 -0.25 0.00 0.00 175.52 176.19 1ld8 h ASP 625 N 0.60 0.89 -0.43 5.36 3.45 -0.77 -0.71 116.42 124.82 1ld8 h ASP 625 Ca 0.10 -0.24 -0.01 0.00 0.43 0.00 0.00 57.03 57.31 1ld8 h ASP 625 Cb 0.58 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.09 1ld8 h ASP 625 CO 0.04 0.90 0.21 0.58 -1.57 0.00 0.00 179.24 179.40 1ld8 h VAL 626 N 0.85 1.17 -0.27 -1.35 2.07 -0.84 -1.00 116.25 116.87 1ld8 h VAL 626 Ca 0.18 -0.48 0.05 0.00 0.82 0.00 0.00 66.70 67.28 1ld8 h VAL 626 Cb 0.36 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1ld8 h VAL 626 CO 0.00 0.19 -0.01 0.00 0.02 0.00 0.00 177.57 177.77 1ld8 h GLN 628 N 0.07 1.20 -0.34 0.00 4.20 -0.85 -0.90 115.11 118.49 1ld8 h GLN 628 Ca 0.13 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 1ld8 h GLN 628 Cb 0.18 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1ld8 h GLN 628 CO -0.23 0.83 0.05 0.35 -0.67 0.00 0.00 178.83 179.16 1ld8 h PHE 629 N 1.22 0.62 0.00 2.96 3.57 -0.65 -2.22 116.94 122.43 1ld8 h PHE 629 Ca 0.32 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.67 1ld8 h PHE 629 Cb -0.07 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 1ld8 h PHE 629 CO -0.00 0.65 -0.31 -0.07 -2.23 0.00 0.00 178.31 176.35 1ld8 h LEU 630 N 0.41 0.00 -0.90 0.59 3.38 -0.79 -1.38 115.31 116.61 1ld8 h LEU 630 Ca 0.10 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1ld8 h LEU 630 Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1ld8 h LEU 630 CO 0.01 0.31 -0.03 -0.08 0.09 0.00 0.00 178.44 178.74 1ld8 h GLU 631 N 0.00 0.78 0.00 1.13 4.81 -0.88 -1.72 114.58 118.70 1ld8 h GLU 631 Ca -0.00 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 1ld8 h GLU 631 Cb 0.57 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1ld8 h GLU 631 CO 0.04 0.80 -0.19 -0.07 -0.73 0.00 0.00 179.01 178.87 1ld8 h LEU 632 N 0.72 0.00 0.00 1.64 3.38 -0.66 -2.56 115.31 117.83 1ld8 h LEU 632 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1ld8 h LEU 632 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1ld8 h LEU 632 CO 0.02 0.19 -0.39 0.00 0.09 0.00 0.00 178.44 178.35 1ld8 s GLN 634 N -3.16 4.43 0.23 0.00 0.74 -0.80 -0.85 119.66 120.25 1ld8 s GLN 634 Ca 0.07 1.85 -0.19 0.00 0.05 0.00 0.00 55.36 57.14 1ld8 s GLN 634 Cb 0.12 -3.30 -0.08 0.00 1.10 0.00 0.00 33.01 30.85 1ld8 s GLN 634 CO 0.68 -0.25 0.72 0.45 -0.55 0.00 0.00 175.29 176.34 1ld8 s SER 635 N 0.85 7.02 0.62 6.67 0.15 0.02 -4.93 113.70 124.11 1ld8 s SER 635 Ca 0.58 1.39 0.41 0.00 0.70 0.00 0.00 55.95 59.03 1ld8 s SER 635 Cb -0.31 -2.41 2.04 0.00 -1.71 0.00 0.00 66.02 63.63 1ld8 s SER 635 CO 0.31 0.01 2.23 1.55 1.20 0.00 0.00 173.24 178.54 1ld8 h PRO 636 N 3.31 0.00 -0.01 5.44 0.13 -1.95 0.42 132.00 139.34 1ld8 h PRO 636 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ld8 h PRO 636 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ld8 h PRO 636 CO 0.65 0.00 -0.05 -0.85 -0.23 0.00 0.00 178.00 177.52 1ld8 n GLU 637 N -3.07 1.24 0.00 0.86 0.28 -1.26 -4.98 120.64 113.71 1ld8 n GLU 637 Ca -0.02 -0.57 0.00 0.00 -0.16 0.00 0.00 57.16 56.41 1ld8 n GLU 637 Cb 0.15 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.54 1ld8 n GLU 637 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ld8 n GLY 638 N 1.18 2.47 0.00 -1.84 0.00 0.14 -4.17 105.19 102.97 1ld8 n GLY 638 Ca 0.18 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1ld8 n GLY 638 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ld8 n GLY 639 N 1.30 -1.54 3.40 -0.02 0.00 -1.26 -4.46 105.19 102.60 1ld8 n GLY 639 Ca 0.00 -1.53 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 1ld8 n GLY 639 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ld8 s PHE 640 N -1.49 2.34 0.53 1.61 0.40 -1.26 -0.80 117.98 119.32 1ld8 s PHE 640 Ca 0.00 -0.37 0.08 0.00 -0.60 0.00 0.00 56.93 56.04 1ld8 s PHE 640 Cb 0.00 -1.28 0.05 0.00 0.51 0.00 0.00 43.02 42.30 1ld8 s PHE 640 CO 0.00 0.33 0.58 0.20 0.70 0.00 0.00 175.22 177.03 1ld8 s GLY 641 N -1.99 2.04 0.00 4.36 0.00 -0.03 -1.14 107.32 110.57 1ld8 s GLY 641 Ca 0.14 -1.75 0.16 0.00 0.00 0.00 0.00 44.72 43.28 1ld8 s GLY 641 CO 0.06 -1.77 1.52 0.61 0.00 0.00 0.00 173.10 173.52 1ld8 n GLY 642 N -1.95 -1.06 3.74 0.20 0.00 -1.26 -4.69 105.19 100.17 1ld8 n GLY 642 Ca 0.07 -0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.05 1ld8 n GLY 642 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ld8 s GLY 643 N -3.01 -0.28 0.18 -0.02 0.00 -1.26 -1.42 107.32 101.50 1ld8 s GLY 643 Ca 0.08 0.39 -0.33 0.00 0.00 0.00 0.00 44.72 44.86 1ld8 s GLY 643 CO 0.30 1.50 1.63 -1.05 0.00 0.00 0.00 173.10 175.48 1ld8 n PRO 644 N -0.60 2.36 -0.19 2.90 -0.02 -1.26 -1.98 135.00 136.22 1ld8 n PRO 644 Ca -0.05 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1ld8 n PRO 644 Cb 0.61 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1ld8 n PRO 644 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ld8 n GLY 645 N 3.61 2.02 3.85 -1.23 0.00 -1.26 -5.03 105.19 107.15 1ld8 n GLY 645 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1ld8 n GLY 645 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ld8 s GLN 646 N -0.21 3.91 0.65 1.61 -0.21 -0.84 -5.03 119.66 119.53 1ld8 s GLN 646 Ca 0.00 0.84 -0.17 0.00 0.02 0.00 0.00 55.36 56.05 1ld8 s GLN 646 Cb 0.00 -2.20 -0.01 0.00 1.00 0.00 0.00 33.01 31.81 1ld8 s GLN 646 CO 0.00 -0.22 1.17 0.71 -2.12 0.00 0.00 175.29 174.83 1ld8 s TYR 647 N -2.57 2.40 0.63 0.91 4.12 -1.26 -4.45 117.35 117.13 1ld8 s TYR 647 Ca 0.57 1.55 -0.16 0.00 0.02 0.00 0.00 57.07 59.05 1ld8 s TYR 647 Cb -0.10 -3.36 -0.02 0.00 -1.52 0.00 0.00 41.96 36.97 1ld8 s TYR 647 CO 0.31 -2.08 1.13 -1.25 0.02 0.00 0.00 175.55 173.68 1ld8 s PRO 648 N -3.72 2.91 -0.13 -1.71 0.04 -1.26 -4.09 135.00 127.04 1ld8 s PRO 648 Ca 0.73 1.51 -0.12 0.00 0.04 0.00 0.00 61.00 63.16 1ld8 s PRO 648 Cb -0.26 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.36 1ld8 s PRO 648 CO 0.38 -1.18 0.35 -1.58 0.04 0.00 0.00 177.00 175.01 1ld8 s HIS 649 N -2.10 -0.38 0.50 0.56 2.46 -0.29 -4.63 115.29 111.40 1ld8 s HIS 649 Ca 0.70 0.94 0.17 0.00 0.47 0.00 0.00 55.06 57.33 1ld8 s HIS 649 Cb -0.23 0.13 1.22 0.00 -0.13 0.00 0.00 32.58 33.57 1ld8 s HIS 649 CO 0.37 -0.19 2.10 -0.07 -2.47 0.00 0.00 174.74 174.48 1ld8 h LEU 650 N 5.57 0.00 0.53 8.88 3.38 -1.04 -1.71 115.31 130.92 1ld8 h LEU 650 Ca -0.26 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 1ld8 h LEU 650 Cb 1.19 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.94 1ld8 h LEU 650 CO 0.29 0.07 -0.26 0.00 0.09 0.00 0.00 178.44 178.63 1ld8 h ALA 651 N 1.93 -0.72 0.00 1.53 0.00 -1.92 -0.77 119.26 119.32 1ld8 h ALA 651 Ca -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1ld8 h ALA 651 Cb 0.12 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ld8 h ALA 651 CO 0.01 -0.74 -0.11 -1.00 0.00 0.00 0.00 179.25 177.40 1ld8 h PRO 652 N -1.03 0.00 -0.25 0.00 0.13 -1.81 -2.05 132.00 126.99 1ld8 h PRO 652 Ca -0.07 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.02 1ld8 h PRO 652 Cb 0.62 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 1ld8 h PRO 652 CO 0.12 0.11 -0.01 1.15 -0.23 0.00 0.00 178.00 179.15 1ld8 h THR 653 N 0.00 1.26 -0.35 1.56 2.02 -1.19 0.24 112.91 116.45 1ld8 h THR 653 Ca -0.00 -0.92 0.02 0.00 0.77 0.00 0.00 66.41 66.28 1ld8 h THR 653 Cb 0.46 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 1ld8 h THR 653 CO 0.01 0.29 0.20 0.22 0.37 0.00 0.00 175.52 176.61 1ld8 h TYR 654 N 0.21 0.37 -0.52 3.16 3.20 -0.69 -1.52 116.97 121.18 1ld8 h TYR 654 Ca 0.07 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 1ld8 h TYR 654 Cb 0.42 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 1ld8 h TYR 654 CO 0.04 0.21 0.12 0.00 -1.64 0.00 0.00 178.16 176.88 1ld8 h ALA 655 N 1.16 0.69 -0.41 1.82 0.00 -1.20 -1.83 119.26 119.49 1ld8 h ALA 655 Ca 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1ld8 h ALA 655 Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1ld8 h ALA 655 CO -0.08 0.40 0.16 0.00 0.00 0.00 0.00 179.25 179.74 1ld8 h ALA 656 N 1.00 0.53 -0.66 0.00 0.00 -0.32 -0.49 119.26 119.33 1ld8 h ALA 656 Ca 0.16 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1ld8 h ALA 656 Cb 0.35 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1ld8 h ALA 656 CO 0.00 0.14 0.20 0.28 0.00 0.00 0.00 179.25 179.87 1ld8 h VAL 657 N 0.52 1.25 -0.59 0.00 2.07 -1.21 -0.86 116.25 117.43 1ld8 h VAL 657 Ca 0.14 -0.87 -0.05 0.00 0.82 0.00 0.00 66.70 66.73 1ld8 h VAL 657 Cb 0.19 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1ld8 h VAL 657 CO -0.01 0.34 0.16 0.78 0.02 0.00 0.00 177.57 178.85 1ld8 h ASN 658 N 0.95 0.88 -0.32 0.57 4.21 -1.13 -1.50 115.58 119.24 1ld8 h ASN 658 Ca 0.21 -0.22 -0.01 0.00 1.21 0.00 0.00 56.30 57.49 1ld8 h ASN 658 Cb 0.31 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.26 1ld8 h ASN 658 CO -0.01 0.87 0.17 0.00 -1.29 0.00 0.00 177.43 177.18 1ld8 h ALA 659 N 1.04 0.41 -0.62 -0.83 0.00 -0.81 -0.84 119.26 117.62 1ld8 h ALA 659 Ca 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1ld8 h ALA 659 Cb 0.32 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1ld8 h ALA 659 CO -0.00 -0.05 0.31 -0.07 0.00 0.00 0.00 179.25 179.44 1ld8 h LEU 660 N 0.39 0.78 -0.76 0.00 3.38 -1.02 -2.10 115.31 115.98 1ld8 h LEU 660 Ca 0.11 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1ld8 h LEU 660 Cb 0.08 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1ld8 h LEU 660 CO -0.02 0.65 -0.58 0.00 0.09 0.00 0.00 178.44 178.58 1ld8 h ILE 662 N 0.00 1.27 -0.43 0.00 2.04 -0.53 -2.59 117.51 117.27 1ld8 h ILE 662 Ca -0.01 -1.33 -0.03 0.00 1.00 0.00 0.00 64.86 64.49 1ld8 h ILE 662 Cb 1.09 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 1ld8 h ILE 662 CO 0.08 0.46 0.14 0.40 0.00 0.00 0.00 178.15 179.23 1ld8 h ILE 663 N 0.82 1.22 -1.24 -0.67 2.04 -1.24 -3.47 117.51 114.96 1ld8 h ILE 663 Ca 0.11 -0.71 -0.37 0.00 1.00 0.00 0.00 64.86 64.89 1ld8 h ILE 663 Cb 0.75 0.87 -0.12 0.00 -0.74 0.00 0.00 36.82 37.58 1ld8 h ILE 663 CO 0.06 0.26 -0.37 0.61 0.00 0.00 0.00 178.15 178.71 1ld8 n GLY 664 N -0.68 1.30 3.95 5.37 0.00 -0.44 -5.02 105.19 109.68 1ld8 n GLY 664 Ca 0.00 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 1ld8 n GLY 664 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ld8 s THR 665 N -2.72 5.19 0.43 2.61 -4.23 -1.26 -4.95 115.64 110.71 1ld8 s THR 665 Ca 0.00 -0.72 0.09 0.00 -1.18 0.00 0.00 61.69 59.88 1ld8 s THR 665 Cb 0.00 -3.85 0.27 0.00 1.34 0.00 0.00 72.50 70.25 1ld8 s THR 665 CO 0.00 -0.43 2.08 -0.33 -0.54 0.00 0.00 174.62 175.40 1ld8 h GLU 666 N 1.02 0.44 -0.36 3.99 5.08 -1.98 -0.15 114.58 122.63 1ld8 h GLU 666 Ca -0.51 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 57.84 1ld8 h GLU 666 Cb 1.22 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1ld8 h GLU 666 CO 0.62 0.29 0.22 1.49 -1.00 0.00 0.00 179.01 180.62 1ld8 h GLU 667 N 0.45 0.43 -0.10 2.33 4.81 -1.98 -0.16 114.58 120.36 1ld8 h GLU 667 Ca 0.12 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1ld8 h GLU 667 Cb -0.05 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 1ld8 h GLU 667 CO -0.03 0.28 0.02 0.00 -0.73 0.00 0.00 179.01 178.56 1ld8 h ALA 668 N 1.15 0.14 -0.50 2.92 0.00 -1.49 -3.07 119.26 118.41 1ld8 h ALA 668 Ca 0.14 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1ld8 h ALA 668 Cb -0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1ld8 h ALA 668 CO -0.06 -0.22 0.25 1.88 0.00 0.00 0.00 179.25 181.10 1ld8 h TYR 669 N -0.05 0.46 0.00 0.00 0.99 -0.89 -2.71 116.97 114.77 1ld8 h TYR 669 Ca 0.03 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.78 1ld8 h TYR 669 Cb 0.27 -0.13 0.00 0.00 1.00 0.00 0.00 36.73 37.87 1ld8 h TYR 669 CO 0.01 0.22 0.00 -0.25 -0.00 0.00 0.00 178.16 178.14 1ld8 n ASP 670 N -4.89 0.00 -0.06 3.88 8.00 -0.09 -2.79 116.55 120.60 1ld8 n ASP 670 Ca 0.04 0.50 -0.05 0.00 0.71 0.00 0.00 54.79 55.99 1ld8 n ASP 670 Cb 0.14 -0.50 0.17 0.00 -0.02 0.00 0.00 41.12 40.90 1ld8 n ASP 670 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1ld8 h ILE 671 N 0.00 1.25 -2.59 0.53 2.04 -1.38 -3.43 117.51 113.94 1ld8 h ILE 671 Ca 0.00 -1.13 -0.54 0.00 1.00 0.00 0.00 64.86 64.19 1ld8 h ILE 671 Cb 0.27 1.09 0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1ld8 h ILE 671 CO 0.00 0.38 1.09 -0.63 0.00 0.00 0.00 178.15 178.99 1ld8 s ILE 672 N -4.76 3.29 -0.84 -0.67 1.01 -1.12 -4.93 121.20 113.18 1ld8 s ILE 672 Ca -0.09 0.50 -0.21 0.00 0.00 0.00 0.00 60.65 60.85 1ld8 s ILE 672 Cb 0.14 -3.32 0.09 0.00 0.01 0.00 0.00 42.46 39.39 1ld8 s ILE 672 CO 0.81 -0.03 1.12 0.21 0.00 0.00 0.00 174.94 177.04 1ld8 s ASN 673 N 3.26 6.43 0.23 3.58 3.84 -1.26 -4.87 114.94 126.14 1ld8 s ASN 673 Ca 0.77 -1.53 -0.06 0.00 0.21 0.00 0.00 52.86 52.24 1ld8 s ASN 673 Cb -0.37 -2.43 0.22 0.00 -0.55 0.00 0.00 41.25 38.11 1ld8 s ASN 673 CO 0.33 -1.29 1.78 0.03 -2.79 0.00 0.00 177.10 175.16 1ld8 h ARG 674 N 9.27 1.09 0.03 0.43 3.08 -1.95 -1.17 114.38 125.16 1ld8 h ARG 674 Ca -0.01 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 59.83 1ld8 h ARG 674 Cb 1.04 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 1ld8 h ARG 674 CO 1.18 0.92 -0.06 0.93 -1.07 0.00 0.00 179.97 181.87 1ld8 h GLU 675 N 1.05 -0.11 -0.10 0.04 3.07 -1.96 -2.10 114.58 114.46 1ld8 h GLU 675 Ca 0.23 0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 58.99 1ld8 h GLU 675 Cb 0.27 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1ld8 h GLU 675 CO -0.01 -0.08 -0.44 0.87 -1.40 0.00 0.00 179.01 177.95 1ld8 h LYS 676 N -0.12 0.23 -0.42 2.33 1.79 -1.88 -2.72 116.57 115.78 1ld8 h LYS 676 Ca 0.02 -0.11 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 1ld8 h LYS 676 Cb 0.14 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 1ld8 h LYS 676 CO -0.04 0.63 0.23 1.25 -1.08 0.00 0.00 179.45 180.43 1ld8 h LEU 677 N 0.19 0.53 -0.51 2.94 5.85 -0.93 0.93 115.31 124.32 1ld8 h LEU 677 Ca 0.01 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 1ld8 h LEU 677 Cb 0.86 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1ld8 h LEU 677 CO 0.07 0.47 0.09 0.25 -0.34 0.00 0.00 178.44 178.98 1ld8 h LEU 678 N 0.55 0.81 -0.89 2.25 5.85 -1.31 -0.94 115.31 121.62 1ld8 h LEU 678 Ca 0.15 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1ld8 h LEU 678 Cb 0.06 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1ld8 h LEU 678 CO -0.02 0.86 0.52 1.56 -0.34 0.00 0.00 178.44 181.01 1ld8 h GLN 679 N 0.72 1.22 -0.27 1.25 4.20 -1.23 -1.29 115.11 119.72 1ld8 h GLN 679 Ca 0.16 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 1ld8 h GLN 679 Cb 0.39 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1ld8 h GLN 679 CO 0.01 0.87 0.15 -0.92 -0.67 0.00 0.00 178.83 178.27 1ld8 h TYR 680 N 1.23 0.37 -0.79 2.96 3.20 -0.42 -0.67 116.97 122.85 1ld8 h TYR 680 Ca 0.32 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.21 1ld8 h TYR 680 Cb -0.02 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.09 1ld8 h TYR 680 CO 0.00 0.30 0.50 -0.07 -1.64 0.00 0.00 178.16 177.26 1ld8 h LEU 681 N 0.32 0.83 -1.08 2.82 3.38 -0.76 -0.72 115.31 120.11 1ld8 h LEU 681 Ca 0.09 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1ld8 h LEU 681 Cb 0.05 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 1ld8 h LEU 681 CO -0.02 0.57 0.62 1.88 0.09 0.00 0.00 178.44 181.59 1ld8 h TYR 682 N 0.98 1.16 0.00 1.13 -1.99 -0.77 -1.01 116.97 116.48 1ld8 h TYR 682 Ca 0.32 0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.08 1ld8 h TYR 682 Cb 0.02 -0.39 0.00 0.00 2.00 0.00 0.00 36.73 38.36 1ld8 h TYR 682 CO -0.03 0.68 0.00 -1.13 -0.00 0.00 0.00 178.16 177.68 1ld8 n SER 683 N -4.43 0.00 -0.00 3.88 3.41 -0.30 -2.37 113.62 113.80 1ld8 n SER 683 Ca 0.12 0.47 0.04 0.00 -0.26 0.00 0.00 58.87 59.25 1ld8 n SER 683 Cb 0.08 -0.48 -0.05 0.00 -0.26 0.00 0.00 64.21 63.50 1ld8 n SER 683 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ld8 n LEU 684 N -1.48 0.42 -4.69 1.04 4.77 -0.44 -4.93 117.00 111.69 1ld8 n LEU 684 Ca 0.03 -0.49 -0.42 0.00 -0.03 0.00 0.00 56.01 55.10 1ld8 n LEU 684 Cb 0.13 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1ld8 n LEU 684 CO 0.10 0.11 1.07 -0.75 -1.33 0.00 0.00 177.39 176.58 1ld8 s LYS 685 N -1.88 4.31 0.17 3.23 2.47 -0.88 -1.18 119.74 125.98 1ld8 s LYS 685 Ca 0.03 1.92 -0.01 0.00 -1.56 0.00 0.00 55.97 56.36 1ld8 s LYS 685 Cb 0.07 -3.51 -0.04 0.00 -1.46 0.00 0.00 37.83 32.89 1ld8 s LYS 685 CO 0.37 -0.51 0.35 -0.65 0.16 0.00 0.00 175.35 175.08 1ld8 s GLN 686 N 2.07 3.51 0.57 4.03 -1.52 0.44 -4.98 119.66 123.77 1ld8 s GLN 686 Ca 0.62 -0.35 0.28 0.00 -1.95 0.00 0.00 55.36 53.96 1ld8 s GLN 686 Cb -0.31 -2.88 1.70 0.00 -0.22 0.00 0.00 33.01 31.30 1ld8 s GLN 686 CO 0.27 0.45 2.21 -1.00 -0.25 0.00 0.00 175.29 176.96 1ld8 h PRO 687 N 2.25 0.00 -0.10 2.91 0.13 -1.96 -2.03 132.00 133.21 1ld8 h PRO 687 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ld8 h PRO 687 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ld8 h PRO 687 CO 0.70 0.03 0.00 -0.40 -0.23 0.00 0.00 178.00 178.10 1ld8 n ASP 688 N -3.85 0.76 0.00 1.44 3.85 -1.26 -4.89 116.55 112.61 1ld8 n ASP 688 Ca -0.03 -1.67 0.00 0.00 -0.71 0.00 0.00 54.79 52.39 1ld8 n ASP 688 Cb 0.12 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 39.83 1ld8 n ASP 688 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ld8 n GLY 689 N 0.89 1.86 3.93 6.12 0.00 -0.76 -4.49 105.19 112.73 1ld8 n GLY 689 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1ld8 n GLY 689 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ld8 s SER 690 N -1.52 4.27 0.05 1.61 1.04 -1.26 -3.75 113.70 114.15 1ld8 s SER 690 Ca 0.00 0.42 0.06 0.00 0.48 0.00 0.00 55.95 56.91 1ld8 s SER 690 Cb 0.00 -0.85 -0.02 0.00 0.10 0.00 0.00 66.02 65.24 1ld8 s SER 690 CO 0.00 -1.99 -0.16 -0.36 0.98 0.00 0.00 173.24 171.72 1ld8 s PHE 691 N -3.49 1.36 0.47 5.02 0.40 -1.26 -0.42 117.98 120.06 1ld8 s PHE 691 Ca 0.65 -0.38 -0.19 0.00 -0.60 0.00 0.00 56.93 56.41 1ld8 s PHE 691 Cb -0.09 -0.79 -0.09 0.00 0.51 0.00 0.00 43.02 42.56 1ld8 s PHE 691 CO 0.48 0.06 0.96 -0.51 0.70 0.00 0.00 175.22 176.91 1ld8 s LEU 692 N -1.34 3.79 0.33 -0.37 1.43 -0.33 -4.32 118.68 117.88 1ld8 s LEU 692 Ca 0.02 1.61 0.15 0.00 -1.03 0.00 0.00 54.13 54.88 1ld8 s LEU 692 Cb -0.09 -4.50 0.53 0.00 0.03 0.00 0.00 46.19 42.16 1ld8 s LEU 692 CO 0.02 -0.46 1.68 0.24 0.23 0.00 0.00 176.35 178.05 1ld8 h MET 693 N 1.44 0.00 -2.32 1.70 2.86 -1.16 -3.46 114.93 114.00 1ld8 h MET 693 Ca -0.48 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 57.33 1ld8 h MET 693 Cb 1.18 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.75 1ld8 h MET 693 CO 0.61 0.49 0.49 -3.38 1.06 0.00 0.00 176.91 176.18 1ld8 s HIS 694 N -3.61 -0.17 0.07 -0.22 0.00 -1.26 -0.45 115.29 109.65 1ld8 s HIS 694 Ca -0.01 -0.11 -0.34 0.00 -3.00 0.00 0.00 55.06 51.61 1ld8 s HIS 694 Cb 0.12 0.62 -0.13 0.00 -4.00 0.00 0.00 32.58 29.19 1ld8 s HIS 694 CO 0.72 -0.77 1.69 0.28 -1.00 0.00 0.00 174.74 175.66 1ld8 n VAL 695 N -0.43 0.21 -1.42 -5.38 0.31 -1.26 0.23 118.33 110.59 1ld8 n VAL 695 Ca -0.07 -0.04 -0.13 0.00 -0.01 0.00 0.00 64.34 64.09 1ld8 n VAL 695 Cb 0.61 -1.67 -0.05 0.00 -0.91 0.00 0.00 33.84 31.82 1ld8 n VAL 695 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ld8 n GLY 696 N 3.78 1.34 4.00 2.92 0.00 -1.26 -4.99 105.19 110.97 1ld8 n GLY 696 Ca 0.19 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 1ld8 n GLY 696 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ld8 s GLY 697 N -2.84 1.92 0.68 -0.02 0.00 0.14 -5.10 107.32 102.09 1ld8 s GLY 697 Ca 0.00 -1.87 -0.11 0.00 0.00 0.00 0.00 44.72 42.74 1ld8 s GLY 697 CO 0.00 -1.80 1.06 -1.83 0.00 0.00 0.00 173.10 170.53 1ld8 s GLU 698 N -4.58 3.09 -0.05 2.90 1.03 -1.26 -4.57 118.70 115.26 1ld8 s GLU 698 Ca 0.53 0.80 0.06 0.00 0.03 0.00 0.00 54.97 56.38 1ld8 s GLU 698 Cb -0.04 -2.02 -0.01 0.00 -0.80 0.00 0.00 34.13 31.26 1ld8 s GLU 698 CO 0.33 -0.95 -0.23 0.54 -1.33 0.00 0.00 175.26 173.63 1ld8 s VAL 699 N -3.14 1.85 0.15 1.83 0.11 -1.26 -0.70 120.40 119.24 1ld8 s VAL 699 Ca 0.57 -0.96 -0.25 0.00 -2.93 0.00 0.00 61.98 58.41 1ld8 s VAL 699 Cb -0.13 -1.57 0.06 0.00 -1.53 0.00 0.00 36.38 33.22 1ld8 s VAL 699 CO 0.54 0.52 0.90 1.51 -3.33 0.00 0.00 175.10 175.24 1ld8 s ASP 700 N -0.14 -0.24 0.65 3.54 1.47 -1.26 -4.88 116.67 115.81 1ld8 s ASP 700 Ca -0.02 -0.36 0.32 0.00 1.18 0.00 0.00 52.55 53.67 1ld8 s ASP 700 Cb -0.13 0.52 1.73 0.00 -0.34 0.00 0.00 42.92 44.70 1ld8 s ASP 700 CO 0.03 -0.93 1.99 0.58 0.68 0.00 0.00 175.17 177.52 1ld8 h VAL 701 N 2.00 0.07 -0.90 2.11 2.07 -0.96 -1.89 116.25 118.75 1ld8 h VAL 701 Ca -0.23 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.34 1ld8 h VAL 701 Cb 1.24 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 1ld8 h VAL 701 CO 0.26 0.00 0.59 0.03 0.02 0.00 0.00 177.57 178.47 1ld8 h ARG 702 N 0.00 1.03 -0.54 1.57 3.08 -1.91 -2.62 114.38 114.99 1ld8 h ARG 702 Ca 0.03 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1ld8 h ARG 702 Cb 0.61 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1ld8 h ARG 702 CO -0.00 0.68 0.32 0.66 -1.07 0.00 0.00 179.97 180.57 1ld8 h SER 703 N 1.06 0.66 -0.82 7.04 4.64 -1.63 -0.59 113.55 123.91 1ld8 h SER 703 Ca 0.37 -0.06 0.02 0.00 -0.47 0.00 0.00 61.79 61.65 1ld8 h SER 703 Cb 0.12 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 62.00 1ld8 h SER 703 CO -0.13 0.53 0.53 0.00 -0.87 0.00 0.00 176.83 176.89 1ld8 h ALA 704 N 1.16 1.07 -0.19 5.18 0.00 -1.63 -0.33 119.26 124.51 1ld8 h ALA 704 Ca 0.19 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1ld8 h ALA 704 Cb -0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1ld8 h ALA 704 CO -0.04 0.39 -0.14 -0.92 0.00 0.00 0.00 179.25 178.55 1ld8 h TYR 705 N 1.06 0.50 -0.51 0.00 3.20 -1.31 -0.68 116.97 119.23 1ld8 h TYR 705 Ca 0.32 -0.14 0.03 0.00 3.14 0.00 0.00 58.73 62.08 1ld8 h TYR 705 Cb -0.05 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.08 1ld8 h TYR 705 CO -0.02 0.76 0.28 0.00 -1.64 0.00 0.00 178.16 177.54 1ld8 h ALA 707 N 1.25 -0.01 -0.83 0.00 0.00 -1.04 -2.34 119.26 116.29 1ld8 h ALA 707 Ca 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1ld8 h ALA 707 Cb 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1ld8 h ALA 707 CO -0.12 -0.40 0.44 0.00 0.00 0.00 0.00 179.25 179.17 1ld8 h ALA 708 N 0.77 1.21 0.55 0.00 0.00 -0.93 -0.91 119.26 119.96 1ld8 h ALA 708 Ca -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1ld8 h ALA 708 Cb 0.22 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1ld8 h ALA 708 CO 0.00 0.63 -0.27 1.03 0.00 0.00 0.00 179.25 180.64 1ld8 h SER 709 N 1.17 -0.63 -0.25 0.00 0.87 -0.69 -1.75 113.55 112.26 1ld8 h SER 709 Ca 0.29 -0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.74 1ld8 h SER 709 Cb 0.05 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 1ld8 h SER 709 CO -0.04 -0.36 -0.12 -0.37 -0.53 0.00 0.00 176.83 175.41 1ld8 h VAL 710 N -0.88 1.25 -0.46 2.23 -1.51 -1.37 -2.13 116.25 113.38 1ld8 h VAL 710 Ca -0.08 -1.11 -0.13 0.00 -1.23 0.00 0.00 66.70 64.15 1ld8 h VAL 710 Cb 0.62 1.09 -0.01 0.00 -2.13 0.00 0.00 31.29 30.86 1ld8 h VAL 710 CO 0.13 0.37 -0.24 0.00 -1.23 0.00 0.00 177.57 176.60 1ld8 h ALA 711 N 1.27 0.71 -0.18 5.19 0.00 -1.17 -1.72 119.26 123.35 1ld8 h ALA 711 Ca 0.11 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 1ld8 h ALA 711 Cb 0.55 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ld8 h ALA 711 CO 0.03 0.67 -0.45 0.66 0.00 0.00 0.00 179.25 180.16 1ld8 h SER 712 N 0.82 0.71 -0.59 0.00 4.64 -1.25 -0.59 113.55 117.29 1ld8 h SER 712 Ca 0.10 -0.57 -0.02 0.00 -0.47 0.00 0.00 61.79 60.83 1ld8 h SER 712 Cb 0.81 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.67 1ld8 h SER 712 CO 0.07 1.16 0.30 -0.07 -0.87 0.00 0.00 176.83 177.42 1ld8 h LEU 713 N 0.30 0.75 -1.16 5.97 3.38 -1.37 -2.91 115.31 120.27 1ld8 h LEU 713 Ca -0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1ld8 h LEU 713 Cb 1.06 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1ld8 h LEU 713 CO 0.10 0.65 0.00 0.35 0.09 0.00 0.00 178.44 179.62 1ld8 n THR 714 N -4.56 0.25 -3.56 0.22 -2.24 -0.65 -4.15 114.28 99.59 1ld8 n THR 714 Ca 0.04 -0.37 -0.24 0.00 -2.27 0.00 0.00 64.05 61.20 1ld8 n THR 714 Cb 0.10 0.37 0.05 0.00 -2.10 0.00 0.00 70.33 68.75 1ld8 n THR 714 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1ld8 n ASN 715 N 0.38 -4.66 -0.14 3.42 5.15 -0.61 -4.86 115.26 113.95 1ld8 n ASN 715 Ca 0.16 -0.88 0.05 0.00 -0.60 0.00 0.00 54.58 53.31 1ld8 n ASN 715 Cb 0.33 -4.10 0.07 0.00 -0.53 0.00 0.00 39.78 35.55 1ld8 n ASN 715 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1ld8 n ILE 716 N -3.92 1.11 -2.45 -1.44 -5.35 -0.33 -4.32 119.36 102.66 1ld8 n ILE 716 Ca -0.14 -1.29 -0.42 0.00 -0.27 0.00 0.00 62.75 60.63 1ld8 n ILE 716 Cb 0.62 0.20 -0.03 0.00 -1.74 0.00 0.00 39.64 38.69 1ld8 n ILE 716 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1ld8 s ILE 717 N -1.58 4.15 0.28 7.28 1.01 -1.24 -4.89 121.20 126.22 1ld8 s ILE 717 Ca 0.15 1.53 0.09 0.00 0.00 0.00 0.00 60.65 62.42 1ld8 s ILE 717 Cb 0.13 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1ld8 s ILE 717 CO 0.01 0.09 0.09 0.42 0.00 0.00 0.00 174.94 175.55 1ld8 s THR 718 N 1.39 3.59 0.43 2.92 -4.23 -1.26 -5.02 115.64 113.45 1ld8 s THR 718 Ca 0.58 -1.71 0.11 0.00 -1.18 0.00 0.00 61.69 59.48 1ld8 s THR 718 Cb -0.28 -3.03 0.30 0.00 1.34 0.00 0.00 72.50 70.83 1ld8 s THR 718 CO 0.27 -0.31 2.02 1.55 -0.54 0.00 0.00 174.62 177.61 1ld8 h PRO 719 N 1.68 0.44 0.00 3.99 0.13 -1.96 -2.90 132.00 133.38 1ld8 h PRO 719 Ca -0.45 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ld8 h PRO 719 Cb 1.25 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1ld8 h PRO 719 CO 0.61 0.29 -0.96 -0.40 -0.23 0.00 0.00 178.00 177.31 1ld8 n ASP 720 N -4.48 0.67 -0.21 1.44 5.75 -1.26 -4.33 116.55 114.13 1ld8 n ASP 720 Ca 0.06 0.05 0.02 0.00 -0.01 0.00 0.00 54.79 54.91 1ld8 n ASP 720 Cb 0.22 0.58 0.12 0.00 -1.03 0.00 0.00 41.12 41.01 1ld8 n ASP 720 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1ld8 h LEU 721 N 0.00 -0.12 -3.53 -2.12 5.85 -1.92 -2.18 115.31 111.29 1ld8 h LEU 721 Ca 0.00 0.14 -0.13 0.00 0.84 0.00 0.00 57.88 58.73 1ld8 h LEU 721 Cb 0.83 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 42.00 1ld8 h LEU 721 CO 0.00 -0.06 0.12 0.49 -0.34 0.00 0.00 178.44 178.65 1ld8 n PHE 722 N -5.20 1.81 -1.77 1.25 3.01 -1.26 -4.95 117.46 110.34 1ld8 n PHE 722 Ca 0.10 -1.12 -0.42 0.00 1.01 0.00 0.00 57.45 57.02 1ld8 n PHE 722 Cb 0.37 -0.54 -0.03 0.00 -0.01 0.00 0.00 39.48 39.27 1ld8 n PHE 722 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1ld8 s GLU 723 N -2.96 4.15 0.00 -1.08 2.56 -0.82 -1.59 118.70 118.96 1ld8 s GLU 723 Ca 0.50 2.52 0.00 0.00 0.00 0.00 0.00 54.97 57.99 1ld8 s GLU 723 Cb 0.41 -3.70 0.00 0.00 2.00 0.00 0.00 34.13 32.83 1ld8 s GLU 723 CO 0.11 -0.83 0.00 0.41 -0.56 0.00 0.00 175.26 174.38 1ld8 n GLY 724 N 4.22 2.75 0.12 -1.50 0.00 -1.26 -4.37 105.19 105.15 1ld8 n GLY 724 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 1ld8 n GLY 724 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ld8 h THR 725 N 0.00 1.07 -0.82 2.61 2.02 -1.38 -1.73 112.91 114.68 1ld8 h THR 725 Ca 0.00 -0.15 0.06 0.00 0.77 0.00 0.00 66.41 67.10 1ld8 h THR 725 Cb 0.00 0.73 -0.06 0.00 -1.74 0.00 0.00 68.15 67.08 1ld8 h THR 725 CO 0.00 0.07 0.50 0.00 0.37 0.00 0.00 175.52 176.46 1ld8 h ALA 726 N 1.08 1.12 -0.61 6.16 0.00 -1.89 -0.57 119.26 124.54 1ld8 h ALA 726 Ca 0.09 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1ld8 h ALA 726 Cb -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1ld8 h ALA 726 CO -0.02 0.22 -0.00 0.93 0.00 0.00 0.00 179.25 180.38 1ld8 h GLU 727 N 0.91 1.09 -0.63 0.00 3.07 -1.88 -1.71 114.58 115.42 1ld8 h GLU 727 Ca 0.36 -0.35 -0.05 0.00 -0.50 0.00 0.00 59.36 58.82 1ld8 h GLU 727 Cb 0.18 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 1ld8 h GLU 727 CO -0.18 1.06 0.20 2.35 -1.40 0.00 0.00 179.01 181.05 1ld8 h TRP 728 N 0.99 1.01 -0.46 4.33 7.01 -0.64 -2.12 115.95 126.07 1ld8 h TRP 728 Ca 0.17 -0.10 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 1ld8 h TRP 728 Cb 0.57 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 27.31 1ld8 h TRP 728 CO 0.04 0.82 0.19 0.82 -2.79 0.00 0.00 178.44 177.53 1ld8 h ILE 729 N 0.91 1.20 -0.59 2.65 2.04 -0.91 -2.27 117.51 120.53 1ld8 h ILE 729 Ca 0.20 -0.61 0.04 0.00 1.00 0.00 0.00 64.86 65.50 1ld8 h ILE 729 Cb 0.28 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1ld8 h ILE 729 CO -0.01 0.23 0.39 0.00 0.00 0.00 0.00 178.15 178.76 1ld8 h ALA 730 N 1.04 1.75 0.00 1.87 0.00 -1.08 0.17 119.26 123.00 1ld8 h ALA 730 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ld8 h ALA 730 Cb 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ld8 h ALA 730 CO -0.01 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.41 1ld8 h ARG 731 N 0.64 0.00 0.00 0.00 3.08 -0.78 -2.00 114.38 115.32 1ld8 h ARG 731 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1ld8 h ARG 731 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1ld8 h ARG 731 CO -0.07 0.00 -0.18 0.00 -1.07 0.00 0.00 179.97 178.65 1ld8 s GLN 733 N -3.18 4.47 0.05 0.00 0.74 -0.75 -0.77 119.66 120.22 1ld8 s GLN 733 Ca 0.07 1.96 0.00 0.00 0.05 0.00 0.00 55.36 57.44 1ld8 s GLN 733 Cb 0.09 -3.20 0.00 0.00 1.10 0.00 0.00 33.01 31.01 1ld8 s GLN 733 CO 0.66 -0.09 0.01 0.27 -0.55 0.00 0.00 175.29 175.59 1ld8 n ASN 734 N 2.08 1.89 0.26 6.67 6.94 -0.55 -4.91 115.26 127.65 1ld8 n ASN 734 Ca 0.03 -1.21 0.18 0.00 -0.02 0.00 0.00 54.58 53.56 1ld8 n ASN 734 Cb 0.44 0.03 0.86 0.00 -2.36 0.00 0.00 39.78 38.75 1ld8 n ASN 734 CO 0.00 0.00 0.00 4.11 -1.03 0.00 0.00 177.26 180.34 1ld8 h TRP 735 N 0.90 0.00 0.00 -2.53 5.08 -1.94 -0.92 115.95 116.53 1ld8 h TRP 735 Ca -0.04 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.85 1ld8 h TRP 735 Cb 0.13 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.27 1ld8 h TRP 735 CO 0.00 0.00 -0.39 0.93 -1.28 0.00 0.00 178.44 177.70 1ld8 h GLU 736 N 0.00 0.00 0.00 0.12 5.08 -1.96 -3.47 114.58 114.35 1ld8 h GLU 736 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1ld8 h GLU 736 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1ld8 h GLU 736 CO -0.00 0.39 0.00 0.41 -1.00 0.00 0.00 179.01 178.81 1ld8 n GLY 737 N 0.97 2.17 1.74 -3.84 0.00 -0.35 -4.54 105.19 101.34 1ld8 n GLY 737 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1ld8 n GLY 737 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ld8 n GLY 738 N -0.27 -0.92 3.31 -0.02 0.00 -1.26 -3.37 105.19 102.66 1ld8 n GLY 738 Ca 0.00 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 1ld8 n GLY 738 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ld8 s ILE 739 N -2.11 2.21 0.43 -0.61 1.01 -1.26 -1.48 121.20 119.39 1ld8 s ILE 739 Ca 0.33 -1.03 0.08 0.00 0.00 0.00 0.00 60.65 60.03 1ld8 s ILE 739 Cb -0.01 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.68 1ld8 s ILE 739 CO 0.23 0.57 0.57 -0.83 0.00 0.00 0.00 174.94 175.48 1ld8 s GLY 740 N -0.37 1.95 0.32 6.18 0.00 0.05 -1.53 107.32 113.93 1ld8 s GLY 740 Ca 0.03 -1.72 0.03 0.00 0.00 0.00 0.00 44.72 43.05 1ld8 s GLY 740 CO 0.02 -1.53 1.90 -1.33 0.00 0.00 0.00 173.10 172.16 1ld8 h GLY 741 N 0.64 1.31 -2.68 0.20 0.00 -1.84 -3.43 103.07 97.27 1ld8 h GLY 741 Ca -0.39 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 46.44 1ld8 h GLY 741 CO 0.46 0.23 -0.34 -1.34 0.00 0.00 0.00 176.54 175.55 1ld8 s VAL 742 N -5.84 0.05 0.19 4.60 -7.23 -1.26 -0.35 120.40 110.56 1ld8 s VAL 742 Ca -0.11 -1.47 -0.33 0.00 -1.81 0.00 0.00 61.98 58.26 1ld8 s VAL 742 Cb 0.21 -1.95 -0.14 0.00 0.56 0.00 0.00 36.38 35.06 1ld8 s VAL 742 CO 0.80 -0.25 1.46 -2.65 -0.31 0.00 0.00 175.10 174.15 1ld8 n PRO 743 N -0.23 1.98 0.00 4.82 -0.02 -1.26 -1.95 135.00 138.33 1ld8 n PRO 743 Ca -0.06 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1ld8 n PRO 743 Cb 0.63 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1ld8 n PRO 743 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ld8 n GLY 744 N 2.67 3.21 3.86 -1.23 0.00 -1.26 -5.03 105.19 107.41 1ld8 n GLY 744 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1ld8 n GLY 744 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ld8 s MET 745 N -0.43 3.73 0.35 1.61 -1.94 -0.82 -5.01 119.30 116.79 1ld8 s MET 745 Ca 0.00 0.78 -0.28 0.00 -1.71 0.00 0.00 55.69 54.48 1ld8 s MET 745 Cb 0.00 -2.13 -0.12 0.00 2.01 0.00 0.00 34.83 34.59 1ld8 s MET 745 CO 0.00 -0.42 1.31 -1.91 -0.01 0.00 0.00 175.02 173.99 1ld8 n GLU 746 N -2.24 2.19 -2.07 2.03 2.13 -1.26 -4.07 120.64 117.35 1ld8 n GLU 746 Ca 0.06 0.77 -0.42 0.00 0.66 0.00 0.00 57.16 58.23 1ld8 n GLU 746 Cb 0.54 -2.38 -0.03 0.00 0.27 0.00 0.00 31.44 29.85 1ld8 n GLU 746 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ld8 s ALA 747 N -1.10 3.66 -0.01 4.31 0.00 -1.26 -4.02 121.76 123.33 1ld8 s ALA 747 Ca 0.55 1.24 0.01 0.00 0.00 0.00 0.00 51.96 53.76 1ld8 s ALA 747 Cb -0.55 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.01 1ld8 s ALA 747 CO 0.62 -0.68 -0.03 -1.58 0.00 0.00 0.00 175.76 174.09 1ld8 s HIS 748 N 0.81 0.27 0.33 0.00 2.46 -0.58 -4.63 115.29 113.95 1ld8 s HIS 748 Ca 0.65 -0.04 0.08 0.00 0.47 0.00 0.00 55.06 56.21 1ld8 s HIS 748 Cb -0.40 -0.20 0.78 0.00 -0.13 0.00 0.00 32.58 32.63 1ld8 s HIS 748 CO 0.34 -0.02 1.81 0.78 -2.47 0.00 0.00 174.74 175.18 1ld8 h GLY 749 N 6.24 1.53 0.90 1.59 0.00 -1.03 0.16 103.07 112.46 1ld8 h GLY 749 Ca -0.29 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 46.71 1ld8 h GLY 749 CO 0.50 0.00 -0.01 -1.33 0.00 0.00 0.00 176.54 175.70 1ld8 h GLY 750 N 0.73 -0.03 2.00 4.60 0.00 -1.86 -0.18 103.07 108.33 1ld8 h GLY 750 Ca 0.53 0.01 -0.11 0.00 0.00 0.00 0.00 47.33 47.77 1ld8 h GLY 750 CO -0.30 -0.01 -0.50 -0.97 0.00 0.00 0.00 176.54 174.75 1ld8 h TYR 751 N -0.13 0.00 -0.30 5.60 0.99 -1.66 -2.48 116.97 118.99 1ld8 h TYR 751 Ca -0.00 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.58 1ld8 h TYR 751 Cb 0.12 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 37.85 1ld8 h TYR 751 CO -0.04 0.50 -0.39 1.15 -0.00 0.00 0.00 178.16 179.38 1ld8 h THR 752 N 0.00 1.29 0.00 -2.88 2.02 -0.53 0.26 112.91 113.08 1ld8 h THR 752 Ca -0.01 -1.57 -0.00 0.00 0.77 0.00 0.00 66.41 65.60 1ld8 h THR 752 Cb 1.04 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 1ld8 h THR 752 CO 0.07 0.51 -0.00 0.15 0.37 0.00 0.00 175.52 176.62 1ld8 h PHE 753 N 0.57 -0.00 -0.48 3.16 3.57 -0.96 -1.18 116.94 121.63 1ld8 h PHE 753 Ca 0.04 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.61 1ld8 h PHE 753 Cb 0.98 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.67 1ld8 h PHE 753 CO 0.07 0.11 0.15 0.00 -2.23 0.00 0.00 178.31 176.41 1ld8 h GLY 755 N 0.31 -0.09 1.09 0.00 0.00 -0.76 -1.62 103.07 101.99 1ld8 h GLY 755 Ca 0.23 0.04 -0.14 0.00 0.00 0.00 0.00 47.33 47.46 1ld8 h GLY 755 CO -0.26 -0.03 -0.28 -2.00 0.00 0.00 0.00 176.54 173.97 1ld8 h LEU 756 N -0.24 0.97 -0.90 3.11 5.85 -1.10 -1.83 115.31 121.17 1ld8 h LEU 756 Ca -0.01 -0.43 -0.03 0.00 0.84 0.00 0.00 57.88 58.25 1ld8 h LEU 756 Cb 0.21 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 1ld8 h LEU 756 CO 0.02 1.19 0.36 0.00 -0.34 0.00 0.00 178.44 179.67 1ld8 h ALA 757 N 0.81 1.14 -0.42 1.25 0.00 -1.02 0.24 119.26 121.26 1ld8 h ALA 757 Ca 0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1ld8 h ALA 757 Cb 0.86 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1ld8 h ALA 757 CO 0.08 0.64 0.09 0.00 0.00 0.00 0.00 179.25 180.06 1ld8 h ALA 758 N 1.25 0.55 -0.38 0.00 0.00 -1.16 -2.17 119.26 117.35 1ld8 h ALA 758 Ca 0.27 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1ld8 h ALA 758 Cb 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1ld8 h ALA 758 CO -0.03 0.24 -0.01 -0.07 0.00 0.00 0.00 179.25 179.38 1ld8 h LEU 759 N 0.54 0.57 -0.61 0.00 3.38 -0.84 -1.34 115.31 117.01 1ld8 h LEU 759 Ca 0.13 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1ld8 h LEU 759 Cb 0.34 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1ld8 h LEU 759 CO 0.00 0.65 0.22 0.58 0.09 0.00 0.00 178.44 179.98 1ld8 h VAL 760 N 0.57 1.24 -0.78 1.22 2.07 -0.73 0.27 116.25 120.11 1ld8 h VAL 760 Ca 0.12 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 1ld8 h VAL 760 Cb 0.39 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1ld8 h VAL 760 CO 0.02 0.30 0.40 0.40 0.02 0.00 0.00 177.57 178.70 1ld8 h ILE 761 N 0.86 1.24 -0.00 4.57 2.04 -0.86 -1.85 117.51 123.50 1ld8 h ILE 761 Ca 0.20 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1ld8 h ILE 761 Cb 0.24 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1ld8 h ILE 761 CO -0.01 0.28 -0.03 0.18 0.00 0.00 0.00 178.15 178.57 1ld8 n LEU 762 N -4.40 0.18 -3.54 1.44 4.77 -0.56 -4.91 117.00 109.99 1ld8 n LEU 762 Ca 0.07 0.09 -0.24 0.00 -0.03 0.00 0.00 56.01 55.91 1ld8 n LEU 762 Cb 0.11 -0.16 0.08 0.00 -2.33 0.00 0.00 43.42 41.12 1ld8 n LEU 762 CO 0.39 0.03 0.23 0.29 -1.33 0.00 0.00 177.39 177.00 1ld8 n LYS 763 N -1.05 -7.70 -0.76 3.23 5.02 0.68 -4.91 118.16 112.67 1ld8 n LYS 763 Ca 0.17 0.84 0.06 0.00 -2.02 0.00 0.00 58.31 57.36 1ld8 n LYS 763 Cb 0.22 -5.87 0.13 0.00 -0.02 0.00 0.00 35.03 29.49 1ld8 n LYS 763 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ld8 n ARG 764 N -4.92 0.98 -0.25 1.97 5.12 0.33 -4.84 116.66 115.06 1ld8 n ARG 764 Ca -0.00 -2.66 0.15 0.00 -1.93 0.00 0.00 57.85 53.40 1ld8 n ARG 764 Cb 0.57 -1.07 0.44 0.00 -1.16 0.00 0.00 32.46 31.24 1ld8 n ARG 764 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1ld8 h GLU 765 N 0.78 0.54 0.00 5.56 3.07 -1.91 -0.63 114.58 121.98 1ld8 h GLU 765 Ca -0.06 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 1ld8 h GLU 765 Cb 1.28 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 1ld8 h GLU 765 CO 0.03 0.35 0.00 0.54 -1.40 0.00 0.00 179.01 178.53 1ld8 n ARG 766 N -4.55 0.00 0.17 2.33 1.74 -1.26 -1.47 116.66 113.61 1ld8 n ARG 766 Ca 0.18 0.47 0.13 0.00 -0.77 0.00 0.00 57.85 57.87 1ld8 n ARG 766 Cb 0.57 -1.50 0.53 0.00 -1.02 0.00 0.00 32.46 31.04 1ld8 n ARG 766 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1ld8 h SER 767 N 0.00 0.00 -1.86 0.55 0.02 -1.50 -3.44 113.55 107.32 1ld8 h SER 767 Ca 0.00 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.50 1ld8 h SER 767 Cb 0.02 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 1ld8 h SER 767 CO 0.00 0.00 -0.36 -0.76 -1.14 0.00 0.00 176.83 174.57 1ld8 s LEU 768 N -4.91 3.99 -0.76 5.07 1.43 -0.54 -4.84 118.68 118.12 1ld8 s LEU 768 Ca 0.04 -0.17 -0.20 0.00 -1.03 0.00 0.00 54.13 52.76 1ld8 s LEU 768 Cb 0.09 -2.73 0.11 0.00 0.03 0.00 0.00 46.19 43.69 1ld8 s LEU 768 CO 0.44 -0.37 0.96 0.21 0.23 0.00 0.00 176.35 177.82 1ld8 s ASN 769 N -4.13 6.37 0.50 2.29 3.84 -1.26 -4.87 114.94 117.68 1ld8 s ASN 769 Ca 0.43 -1.56 0.25 0.00 0.21 0.00 0.00 52.86 52.19 1ld8 s ASN 769 Cb -0.09 -2.38 1.32 0.00 -0.55 0.00 0.00 41.25 39.55 1ld8 s ASN 769 CO 0.30 -1.19 2.02 -0.07 -2.79 0.00 0.00 177.10 175.38 1ld8 h LEU 770 N 10.55 0.00 -0.00 3.21 3.38 -1.92 -2.54 115.31 127.98 1ld8 h LEU 770 Ca -0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1ld8 h LEU 770 Cb 1.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1ld8 h LEU 770 CO 1.12 0.15 -0.00 0.50 0.09 0.00 0.00 178.44 180.30 1ld8 h LYS 771 N 0.00 0.01 -0.00 1.13 3.64 -1.98 -0.69 116.57 118.68 1ld8 h LYS 771 Ca -0.00 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1ld8 h LYS 771 Cb 0.40 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1ld8 h LYS 771 CO 0.02 0.41 -0.44 0.66 -2.27 0.00 0.00 179.45 177.83 1ld8 h SER 772 N -0.39 0.01 -0.21 4.20 4.64 -1.88 -1.93 113.55 117.98 1ld8 h SER 772 Ca 0.00 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1ld8 h SER 772 Cb 0.41 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1ld8 h SER 772 CO 0.00 0.45 -0.22 0.25 -0.87 0.00 0.00 176.83 176.44 1ld8 h LEU 773 N 0.01 0.56 -0.28 5.97 6.46 -1.40 -1.65 115.31 124.98 1ld8 h LEU 773 Ca -0.00 -0.48 -0.00 0.00 -0.12 0.00 0.00 57.88 57.27 1ld8 h LEU 773 Cb 0.79 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.54 1ld8 h LEU 773 CO 0.06 0.93 0.17 0.25 -0.62 0.00 0.00 178.44 179.22 1ld8 h LEU 774 N 0.21 0.35 -1.01 2.25 5.85 -0.93 -0.95 115.31 121.07 1ld8 h LEU 774 Ca 0.03 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1ld8 h LEU 774 Cb 0.77 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1ld8 h LEU 774 CO 0.05 0.31 0.06 -0.61 -0.34 0.00 0.00 178.44 177.92 1ld8 h GLN 775 N 0.35 0.78 0.22 1.25 4.15 -1.36 -2.19 115.11 118.31 1ld8 h GLN 775 Ca 0.10 -0.18 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 1ld8 h GLN 775 Cb 0.03 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.62 1ld8 h GLN 775 CO -0.02 0.74 -0.10 2.35 -1.93 0.00 0.00 178.83 179.87 1ld8 h TRP 776 N 0.74 -0.27 -0.66 3.99 7.01 -0.92 -2.64 115.95 123.20 1ld8 h TRP 776 Ca 0.16 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.11 1ld8 h TRP 776 Cb 0.36 0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.48 1ld8 h TRP 776 CO 0.02 0.03 0.28 -0.24 -2.79 0.00 0.00 178.44 175.74 1ld8 h VAL 777 N -0.57 1.24 -0.08 2.65 3.04 -1.13 -2.25 116.25 119.14 1ld8 h VAL 777 Ca -0.03 -0.72 -0.02 0.00 -1.01 0.00 0.00 66.70 64.92 1ld8 h VAL 777 Cb 0.42 0.47 -0.01 0.00 -2.01 0.00 0.00 31.29 30.16 1ld8 h VAL 777 CO 0.05 0.29 -0.05 0.71 -1.01 0.00 0.00 177.57 177.56 1ld8 h THR 778 N 0.93 1.08 0.00 3.17 1.35 -1.45 -0.32 112.91 117.68 1ld8 h THR 778 Ca 0.22 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1ld8 h THR 778 Cb 0.18 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1ld8 h THR 778 CO -0.02 0.11 0.00 0.28 -0.25 0.00 0.00 175.52 175.64 1ld8 h SER 779 N 0.11 0.00 0.90 5.36 0.02 -1.02 -3.00 113.55 115.92 1ld8 h SER 779 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1ld8 h SER 779 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1ld8 h SER 779 CO 0.01 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.24 1ld8 n ARG 780 N -2.46 0.05 -2.80 3.45 5.12 -0.13 -4.74 116.66 115.14 1ld8 n ARG 780 Ca 0.03 0.02 -0.41 0.00 -1.93 0.00 0.00 57.85 55.56 1ld8 n ARG 780 Cb 0.30 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 30.06 1ld8 n ARG 780 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1ld8 s GLN 781 N -2.95 4.53 -0.17 5.56 0.74 -1.13 -1.39 119.66 124.84 1ld8 s GLN 781 Ca 0.15 1.28 -0.29 0.00 0.05 0.00 0.00 55.36 56.54 1ld8 s GLN 781 Cb 0.18 -3.45 -0.01 0.00 1.10 0.00 0.00 33.01 30.83 1ld8 s GLN 781 CO 0.50 -0.00 1.16 -1.64 -0.55 0.00 0.00 175.29 174.76 1ld8 s MET 782 N 0.89 4.26 0.41 1.67 -1.94 0.68 -4.93 119.30 120.35 1ld8 s MET 782 Ca 0.48 1.54 0.13 0.00 -1.71 0.00 0.00 55.69 56.13 1ld8 s MET 782 Cb -0.20 -3.69 0.98 0.00 2.01 0.00 0.00 34.83 33.93 1ld8 s MET 782 CO 0.25 -0.63 1.93 0.07 -0.01 0.00 0.00 175.02 176.63 1ld8 h ARG 783 N 7.80 0.48 0.00 2.03 0.11 -1.90 0.05 114.38 122.96 1ld8 h ARG 783 Ca -0.25 -0.03 -0.10 0.00 0.10 0.00 0.00 59.98 59.71 1ld8 h ARG 783 Cb 1.10 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 32.05 1ld8 h ARG 783 CO 0.96 0.32 -0.84 0.34 0.10 0.00 0.00 179.97 180.85 1ld8 n PHE 784 N -4.49 0.94 0.06 4.08 7.35 -1.26 -4.53 117.46 119.61 1ld8 n PHE 784 Ca 0.13 0.41 -0.02 0.00 -0.76 0.00 0.00 57.45 57.22 1ld8 n PHE 784 Cb 0.45 -0.90 0.25 0.00 0.35 0.00 0.00 39.48 39.63 1ld8 n PHE 784 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1ld8 h GLU 785 N -1.00 0.37 0.00 -4.13 3.07 -1.93 -3.47 114.58 107.49 1ld8 h GLU 785 Ca -0.15 -0.13 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 1ld8 h GLU 785 Cb 0.84 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.72 1ld8 h GLU 785 CO -0.09 0.60 0.00 0.41 -1.40 0.00 0.00 179.01 178.53 1ld8 n GLY 786 N -0.48 3.17 0.78 -3.84 0.00 0.00 -4.41 105.19 100.41 1ld8 n GLY 786 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 1ld8 n GLY 786 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ld8 n GLY 787 N -1.44 -0.25 3.56 -0.02 0.00 -1.26 -3.33 105.19 102.45 1ld8 n GLY 787 Ca 0.00 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 1ld8 n GLY 787 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ld8 s PHE 788 N -1.02 2.70 0.30 1.61 0.40 -1.26 -0.23 117.98 120.48 1ld8 s PHE 788 Ca 0.14 -0.17 0.06 0.00 -0.60 0.00 0.00 56.93 56.36 1ld8 s PHE 788 Cb -0.01 -1.42 -0.02 0.00 0.51 0.00 0.00 43.02 42.08 1ld8 s PHE 788 CO 0.10 0.41 0.44 1.14 0.70 0.00 0.00 175.22 178.01 1ld8 s GLN 789 N -2.14 3.24 0.16 0.44 -2.07 -0.49 -1.60 119.66 117.19 1ld8 s GLN 789 Ca 0.20 -0.89 0.15 0.00 -1.82 0.00 0.00 55.36 53.00 1ld8 s GLN 789 Cb -0.11 -2.84 -0.06 0.00 -1.09 0.00 0.00 33.01 28.92 1ld8 s GLN 789 CO 0.13 0.18 1.13 0.78 -1.32 0.00 0.00 175.29 176.19 1ld8 h GLY 790 N 0.97 0.00 -3.21 2.60 0.00 -1.89 -3.45 103.07 98.09 1ld8 h GLY 790 Ca -0.48 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 1ld8 h GLY 790 CO 0.56 0.00 0.10 1.09 0.00 0.00 0.00 176.54 178.29 1ld8 s ARG 791 N -2.91 1.16 0.23 4.80 1.70 -1.26 -0.41 118.95 122.26 1ld8 s ARG 791 Ca 0.00 -0.44 -0.31 0.00 -0.47 0.00 0.00 55.73 54.51 1ld8 s ARG 791 Cb 0.08 0.53 -0.14 0.00 -0.57 0.00 0.00 34.95 34.85 1ld8 s ARG 791 CO 0.78 -0.47 1.32 0.00 -1.08 0.00 0.00 175.30 175.85 1ld8 n ASN 793 N 2.00 -4.66 -3.67 0.00 3.02 -1.26 -5.01 115.26 105.68 1ld8 n ASN 793 Ca 0.12 0.25 -0.19 0.00 -0.03 0.00 0.00 54.58 54.73 1ld8 n ASN 793 Cb 0.30 -3.54 -0.03 0.00 -0.61 0.00 0.00 39.78 35.90 1ld8 n ASN 793 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ld8 n LYS 794 N -2.53 1.18 -2.99 3.52 5.02 -0.98 -4.96 118.16 116.43 1ld8 n LYS 794 Ca -0.15 -2.23 -0.29 0.00 -2.02 0.00 0.00 58.31 53.62 1ld8 n LYS 794 Cb 0.52 0.51 -0.03 0.00 -0.02 0.00 0.00 35.03 36.01 1ld8 n LYS 794 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ld8 s LEU 795 N 0.00 3.88 0.63 -0.35 1.43 -1.26 -4.85 118.68 118.16 1ld8 s LEU 795 Ca 0.05 0.95 -0.18 0.00 -1.03 0.00 0.00 54.13 53.93 1ld8 s LEU 795 Cb -0.00 -3.83 -0.01 0.00 0.03 0.00 0.00 46.19 42.38 1ld8 s LEU 795 CO 0.03 -0.36 1.22 0.54 0.23 0.00 0.00 176.35 178.01 1ld8 s VAL 796 N -2.33 2.49 -0.28 -1.59 0.11 -1.26 -4.00 120.40 113.53 1ld8 s VAL 796 Ca 0.48 0.29 -0.14 0.00 -2.93 0.00 0.00 61.98 59.68 1ld8 s VAL 796 Cb -0.10 -3.04 0.10 0.00 -1.53 0.00 0.00 36.38 31.81 1ld8 s VAL 796 CO 0.33 -0.08 0.67 -0.62 -3.33 0.00 0.00 175.10 172.06 1ld8 s ASP 797 N -1.70 -1.01 0.46 3.54 -1.08 -0.63 -4.84 116.67 111.41 1ld8 s ASP 797 Ca 0.77 1.53 0.23 0.00 -0.52 0.00 0.00 52.55 54.56 1ld8 s ASP 797 Cb -0.31 1.72 1.23 0.00 -1.46 0.00 0.00 42.92 44.11 1ld8 s ASP 797 CO 0.37 -0.23 1.84 1.23 0.52 0.00 0.00 175.17 178.90 1ld8 h GLY 798 N 7.39 0.64 2.00 2.66 0.00 -0.78 -1.63 103.07 113.34 1ld8 h GLY 798 Ca -0.26 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 1ld8 h GLY 798 CO 0.14 -0.03 -0.19 0.00 0.00 0.00 0.00 176.54 176.46 1ld8 n TYR 800 N -3.83 0.00 0.28 0.00 0.53 -0.61 -1.80 117.16 111.73 1ld8 n TYR 800 Ca -0.02 0.00 0.12 0.00 -1.02 0.00 0.00 57.90 56.98 1ld8 n TYR 800 Cb 0.29 -0.22 0.79 0.00 -1.03 0.00 0.00 39.34 39.17 1ld8 n TYR 800 CO 0.00 0.00 0.00 0.77 -1.02 0.00 0.00 176.86 176.61 1ld8 h SER 801 N 0.00 0.00 0.00 7.72 0.02 -1.28 -1.33 113.55 118.68 1ld8 h SER 801 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1ld8 h SER 801 Cb 0.13 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1ld8 h SER 801 CO 0.00 0.02 -1.39 0.33 -1.14 0.00 0.00 176.83 174.65 1ld8 n PHE 802 N -4.09 0.05 -0.28 3.45 7.35 -0.74 -3.63 117.46 119.57 1ld8 n PHE 802 Ca -0.03 0.02 0.07 0.00 -0.76 0.00 0.00 57.45 56.76 1ld8 n PHE 802 Cb 0.10 -0.65 0.22 0.00 0.35 0.00 0.00 39.48 39.51 1ld8 n PHE 802 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1ld8 h TRP 803 N -1.00 0.67 0.00 -5.13 -0.00 -1.56 0.41 115.95 109.34 1ld8 h TRP 803 Ca -0.19 0.04 -0.05 0.00 -0.00 0.00 0.00 58.89 58.69 1ld8 h TRP 803 Cb 1.15 -0.17 -0.01 0.00 -0.00 0.00 0.00 29.16 30.13 1ld8 h TRP 803 CO -0.32 0.11 -0.56 1.96 -0.00 0.00 0.00 178.44 179.62 1ld8 h GLN 804 N 0.53 0.00 -0.05 0.49 1.08 -1.49 -3.37 115.11 112.31 1ld8 h GLN 804 Ca 0.46 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.67 1ld8 h GLN 804 Cb 0.71 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.13 1ld8 h GLN 804 CO -0.40 0.25 0.03 0.00 -0.95 0.00 0.00 178.83 177.76 1ld8 h ALA 805 N -0.85 2.04 0.00 3.87 0.00 -1.56 -0.33 119.26 122.43 1ld8 h ALA 805 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ld8 h ALA 805 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1ld8 h ALA 805 CO -0.04 -0.05 0.00 0.78 0.00 0.00 0.00 179.25 179.93 1ld8 h GLY 806 N 0.00 0.00 2.00 0.00 0.00 -0.32 -2.04 103.07 102.72 1ld8 h GLY 806 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 1ld8 h GLY 806 CO -0.00 0.00 -0.26 1.41 0.00 0.00 0.00 176.54 177.69 1ld8 h LEU 807 N 0.00 0.00 -0.46 3.11 3.38 -1.21 -3.25 115.31 116.88 1ld8 h LEU 807 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1ld8 h LEU 807 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1ld8 h LEU 807 CO 0.00 0.26 -0.32 -0.07 0.09 0.00 0.00 178.44 178.40 1ld8 h LEU 808 N 0.00 0.98 -0.89 1.67 3.38 -1.51 0.50 115.31 119.44 1ld8 h LEU 808 Ca -0.00 -0.41 -0.11 0.00 0.09 0.00 0.00 57.88 57.44 1ld8 h LEU 808 Cb 0.77 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1ld8 h LEU 808 CO 0.03 1.20 -0.39 -0.65 0.09 0.00 0.00 178.44 178.73 1ld8 h PRO 809 N 0.78 0.33 -0.46 1.13 0.11 -1.72 0.57 132.00 132.74 1ld8 h PRO 809 Ca 0.08 -0.15 -0.07 0.00 0.11 0.00 0.00 66.00 65.96 1ld8 h PRO 809 Cb 0.90 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 1ld8 h PRO 809 CO 0.08 0.67 0.00 -0.07 -0.21 0.00 0.00 178.00 178.47 1ld8 h LEU 810 N 0.28 0.80 -0.53 2.35 3.38 -1.54 -1.47 115.31 118.58 1ld8 h LEU 810 Ca 0.03 -0.31 -0.11 0.00 0.09 0.00 0.00 57.88 57.58 1ld8 h LEU 810 Cb 0.81 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1ld8 h LEU 810 CO 0.06 0.91 -0.10 -0.07 0.09 0.00 0.00 178.44 179.33 1ld8 h LEU 811 N 0.67 1.00 -0.13 1.67 3.38 -0.69 -1.44 115.31 119.77 1ld8 h LEU 811 Ca 0.13 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.78 1ld8 h LEU 811 Cb 0.50 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1ld8 h LEU 811 CO 0.02 1.12 -0.06 -0.74 0.09 0.00 0.00 178.44 178.87 1ld8 h HIS 812 N 0.87 -0.15 -0.50 1.13 2.76 -0.68 0.71 115.15 119.28 1ld8 h HIS 812 Ca 0.14 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.34 1ld8 h HIS 812 Cb 0.67 0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.69 1ld8 h HIS 812 CO 0.05 -0.10 0.32 -0.09 -1.30 0.00 0.00 177.93 176.80 1ld8 h ARG 813 N -0.05 0.62 -0.31 5.26 9.65 -1.16 0.12 114.38 128.50 1ld8 h ARG 813 Ca 0.07 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.91 1ld8 h ARG 813 Cb 0.16 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 1ld8 h ARG 813 CO -0.17 0.41 0.16 0.00 2.80 0.00 0.00 179.97 183.17 1ld8 h ALA 814 N 1.20 0.39 -0.31 2.80 0.00 -0.77 -1.10 119.26 121.48 1ld8 h ALA 814 Ca 0.19 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1ld8 h ALA 814 Cb -0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1ld8 h ALA 814 CO -0.07 -0.06 -0.37 -0.07 0.00 0.00 0.00 179.25 178.68 1ld8 h LEU 815 N 0.37 0.76 -1.22 0.00 3.38 -0.70 -2.89 115.31 115.00 1ld8 h LEU 815 Ca 0.11 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1ld8 h LEU 815 Cb 0.09 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1ld8 h LEU 815 CO -0.02 1.05 0.18 -0.74 0.09 0.00 0.00 178.44 179.00 1ld8 h HIS 816 N 0.60 0.72 0.00 1.13 2.76 -0.56 -1.25 115.15 118.54 1ld8 h HIS 816 Ca 0.06 -0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.15 1ld8 h HIS 816 Cb 0.90 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.64 1ld8 h HIS 816 CO 0.05 0.58 -0.18 0.00 -1.30 0.00 0.00 177.93 177.07 1ld8 h ALA 817 N 1.49 1.27 -0.08 5.26 0.00 -1.00 -1.90 119.26 124.29 1ld8 h ALA 817 Ca 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ld8 h ALA 817 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ld8 h ALA 817 CO -0.01 0.23 0.00 1.04 0.00 0.00 0.00 179.25 180.50 1ld8 n GLN 818 N -3.69 1.81 -1.94 0.00 6.02 -0.52 -4.94 117.38 114.12 1ld8 n GLN 818 Ca -0.01 -1.19 -0.01 0.00 -0.01 0.00 0.00 57.00 55.78 1ld8 n GLN 818 Cb 0.30 -1.45 -0.00 0.00 1.02 0.00 0.00 30.24 30.10 1ld8 n GLN 818 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ld8 n GLY 819 N 1.20 0.33 3.60 1.08 0.00 -0.71 -4.97 105.19 105.72 1ld8 n GLY 819 Ca 0.18 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 1ld8 n GLY 819 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ld8 s ASP 820 N -2.94 5.56 0.00 1.61 -1.08 -0.94 -4.85 116.67 114.03 1ld8 s ASP 820 Ca 0.00 1.83 0.22 0.00 -0.52 0.00 0.00 52.55 54.07 1ld8 s ASP 820 Cb 0.00 -2.51 0.99 0.00 -1.46 0.00 0.00 42.92 39.94 1ld8 s ASP 820 CO 0.00 -1.89 1.70 -0.81 0.52 0.00 0.00 175.17 174.69 1ld8 n PRO 821 N 8.66 0.13 0.00 4.34 -0.04 -1.26 -3.34 135.00 143.49 1ld8 n PRO 821 Ca 0.28 0.11 0.11 0.00 -0.04 0.00 0.00 63.50 63.97 1ld8 n PRO 821 Cb 0.45 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.50 1ld8 n PRO 821 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ld8 n ALA 822 N -1.41 3.77 -1.75 0.55 0.00 -1.26 -4.98 120.51 115.43 1ld8 n ALA 822 Ca 0.07 -0.54 -0.40 0.00 0.00 0.00 0.00 53.44 52.57 1ld8 n ALA 822 Cb 0.22 -0.91 0.01 0.00 0.00 0.00 0.00 19.45 18.77 1ld8 n ALA 822 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ld8 n LEU 823 N -0.77 4.80 -4.78 0.00 4.77 -1.21 -4.97 117.00 114.84 1ld8 n LEU 823 Ca 0.08 1.13 -0.34 0.00 -0.03 0.00 0.00 56.01 56.86 1ld8 n LEU 823 Cb 0.39 -1.58 0.02 0.00 -2.33 0.00 0.00 43.42 39.91 1ld8 n LEU 823 CO 0.33 -0.23 0.75 -0.55 -1.33 0.00 0.00 177.39 176.35 1ld8 s SER 824 N -0.44 5.57 -0.11 -1.43 0.15 -1.26 -4.95 113.70 111.22 1ld8 s SER 824 Ca 0.60 2.02 0.14 0.00 0.70 0.00 0.00 55.95 59.41 1ld8 s SER 824 Cb -0.47 -2.56 0.39 0.00 -1.71 0.00 0.00 66.02 61.67 1ld8 s SER 824 CO 0.59 -1.32 1.30 0.23 1.20 0.00 0.00 173.24 175.24 1ld8 n MET 825 N -1.81 2.68 0.00 5.44 0.00 -1.26 -4.68 117.12 117.50 1ld8 n MET 825 Ca 0.10 -2.48 0.00 0.00 0.00 0.00 0.00 57.70 55.33 1ld8 n MET 825 Cb 0.52 -1.57 0.00 0.00 0.00 0.00 0.00 33.22 32.17 1ld8 n MET 825 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1ld8 n SER 826 N -0.37 0.00 -4.05 7.83 3.41 -1.26 -4.76 113.62 114.42 1ld8 n SER 826 Ca 0.16 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.67 1ld8 n SER 826 Cb 0.68 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.52 1ld8 n SER 826 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1ld8 s HIS 827 N 0.00 0.49 0.66 7.33 3.76 -1.26 -4.68 115.29 121.58 1ld8 s HIS 827 Ca 0.00 -0.70 -0.11 0.00 -0.15 0.00 0.00 55.06 54.10 1ld8 s HIS 827 Cb 0.00 -0.33 -0.01 0.00 1.11 0.00 0.00 32.58 33.35 1ld8 s HIS 827 CO 0.00 -0.21 1.05 -1.58 -0.85 0.00 0.00 174.74 173.16 1ld8 s TRP 828 N -2.29 3.47 -0.67 1.40 0.23 -1.26 -4.67 118.94 115.16 1ld8 s TRP 828 Ca -0.06 1.15 -0.06 0.00 -2.03 0.00 0.00 56.10 55.10 1ld8 s TRP 828 Cb -0.04 -2.88 -0.03 0.00 0.03 0.00 0.00 33.47 30.55 1ld8 s TRP 828 CO -0.03 -0.92 2.94 -1.33 0.96 0.00 0.00 176.95 178.56 1ld8 n MET 829 N -2.86 2.93 -3.87 4.98 2.81 -1.26 -4.80 117.12 115.04 1ld8 n MET 829 Ca 0.06 -2.21 -0.09 0.00 -1.81 0.00 0.00 57.70 53.65 1ld8 n MET 829 Cb 0.56 -2.29 -0.05 0.00 -0.71 0.00 0.00 33.22 30.73 1ld8 n MET 829 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 1ld8 s PHE 830 N -0.40 0.13 -0.93 2.03 -0.12 -1.26 -4.83 117.98 112.60 1ld8 s PHE 830 Ca 0.61 -0.49 -0.24 0.00 -0.05 0.00 0.00 56.93 56.76 1ld8 s PHE 830 Cb 0.30 0.25 0.04 0.00 -0.63 0.00 0.00 43.02 42.98 1ld8 s PHE 830 CO -0.12 -0.91 1.41 -1.58 -0.05 0.00 0.00 175.22 173.98 1ld8 s HIS 831 N -3.94 2.43 0.23 3.49 5.65 -1.26 -4.84 115.29 117.04 1ld8 s HIS 831 Ca 0.15 -0.54 -0.07 0.00 0.25 0.00 0.00 55.06 54.84 1ld8 s HIS 831 Cb -0.00 -4.66 0.27 0.00 -1.18 0.00 0.00 32.58 27.02 1ld8 s HIS 831 CO 0.02 -1.98 1.85 1.96 -0.65 0.00 0.00 174.74 175.94 1ld8 h GLN 832 N 9.97 0.91 -0.10 2.88 4.20 -1.89 -2.25 115.11 128.83 1ld8 h GLN 832 Ca 0.04 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1ld8 h GLN 832 Cb 1.02 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.59 1ld8 h GLN 832 CO 1.38 0.60 -0.00 0.37 -0.67 0.00 0.00 178.83 180.51 1ld8 h GLN 833 N 0.94 0.17 -0.99 1.46 4.15 -1.88 -2.57 115.11 116.40 1ld8 h GLN 833 Ca 0.34 -0.06 0.07 0.00 0.77 0.00 0.00 58.65 59.77 1ld8 h GLN 833 Cb 0.10 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.71 1ld8 h GLN 833 CO -0.15 0.44 0.64 0.00 -1.93 0.00 0.00 178.83 177.83 1ld8 h ALA 834 N 0.73 1.44 -0.52 3.38 0.00 -1.84 -0.62 119.26 121.83 1ld8 h ALA 834 Ca 0.03 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1ld8 h ALA 834 Cb 0.36 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1ld8 h ALA 834 CO 0.01 0.40 0.02 1.25 0.00 0.00 0.00 179.25 180.93 1ld8 h LEU 835 N 1.13 0.88 -1.16 0.00 5.85 -1.35 -1.47 115.31 119.19 1ld8 h LEU 835 Ca 0.43 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1ld8 h LEU 835 Cb 0.21 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1ld8 h LEU 835 CO -0.18 0.96 0.18 1.56 -0.34 0.00 0.00 178.44 180.62 1ld8 h GLN 836 N 0.78 0.77 -0.48 1.25 4.20 -0.92 -1.48 115.11 119.23 1ld8 h GLN 836 Ca 0.15 -0.13 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 1ld8 h GLN 836 Cb 0.49 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 1ld8 h GLN 836 CO 0.02 0.66 -0.03 0.93 -0.67 0.00 0.00 178.83 179.74 1ld8 h GLU 837 N 0.76 0.86 -0.14 1.46 5.08 -0.77 -0.46 114.58 121.38 1ld8 h GLU 837 Ca 0.18 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1ld8 h GLU 837 Cb 0.20 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1ld8 h GLU 837 CO -0.01 0.92 0.05 -0.92 -1.00 0.00 0.00 179.01 178.05 1ld8 h TYR 838 N 0.71 0.21 0.40 4.33 3.20 -0.87 -0.93 116.97 124.03 1ld8 h TYR 838 Ca 0.13 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 1ld8 h TYR 838 Cb 0.55 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.76 1ld8 h TYR 838 CO 0.04 0.30 -0.19 0.82 -1.64 0.00 0.00 178.16 177.49 1ld8 h ILE 839 N 0.06 0.60 -0.75 1.81 2.04 -1.21 0.85 117.51 120.91 1ld8 h ILE 839 Ca 0.05 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 1ld8 h ILE 839 Cb 0.18 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1ld8 h ILE 839 CO -0.00 0.04 0.25 -0.07 0.00 0.00 0.00 178.15 178.36 1ld8 h LEU 840 N -0.65 1.08 0.03 1.44 3.38 -1.10 -0.79 115.31 118.70 1ld8 h LEU 840 Ca -0.06 -0.20 -0.29 0.00 0.09 0.00 0.00 57.88 57.42 1ld8 h LEU 840 Cb 0.47 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1ld8 h LEU 840 CO 0.09 1.00 -1.62 0.24 0.09 0.00 0.00 178.44 178.24 1ld8 h MET 841 N 1.11 0.07 0.00 1.13 2.86 -1.21 -3.41 114.93 115.47 1ld8 h MET 841 Ca 0.25 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1ld8 h MET 841 Cb 0.29 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1ld8 h MET 841 CO -0.01 0.73 -1.11 0.00 1.06 0.00 0.00 176.91 177.59 1ld8 s GLN 844 N -1.43 4.01 -0.10 0.00 -0.21 -1.24 -0.74 119.66 119.96 1ld8 s GLN 844 Ca 0.31 -0.32 -0.25 0.00 0.02 0.00 0.00 55.36 55.12 1ld8 s GLN 844 Cb 0.19 -3.29 -0.03 0.00 1.00 0.00 0.00 33.01 30.89 1ld8 s GLN 844 CO 0.16 0.24 0.78 0.00 -2.12 0.00 0.00 175.29 174.36 1ld8 h PRO 846 N 6.99 0.35 -0.03 0.00 0.11 -1.98 0.19 132.00 137.64 1ld8 h PRO 846 Ca -0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1ld8 h PRO 846 Cb 1.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1ld8 h PRO 846 CO 0.78 0.23 0.00 0.00 -0.21 0.00 0.00 178.00 178.81 1ld8 n ALA 847 N -2.53 2.62 0.00 -0.75 0.00 -1.26 -4.99 120.51 113.60 1ld8 n ALA 847 Ca 0.20 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1ld8 n ALA 847 Cb 0.76 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1ld8 n ALA 847 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ld8 n GLY 848 N 0.98 2.65 0.00 0.00 0.00 0.65 -4.83 105.19 104.65 1ld8 n GLY 848 Ca 0.19 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1ld8 n GLY 848 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ld8 n GLY 849 N 1.08 1.85 3.62 -0.02 0.00 -1.26 -4.61 105.19 105.84 1ld8 n GLY 849 Ca 0.00 -1.86 -0.28 0.00 0.00 0.00 0.00 46.02 43.88 1ld8 n GLY 849 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ld8 s LEU 850 N -0.32 2.53 0.00 0.99 1.02 -1.26 -0.69 118.68 120.95 1ld8 s LEU 850 Ca 0.00 -1.47 -0.06 0.00 0.02 0.00 0.00 54.13 52.62 1ld8 s LEU 850 Cb 0.00 -0.70 0.02 0.00 0.02 0.00 0.00 46.19 45.54 1ld8 s LEU 850 CO 0.00 -0.62 0.54 0.00 0.02 0.00 0.00 176.35 176.29 1ld8 n LEU 851 N -0.99 0.00 0.26 1.79 -0.00 0.08 -3.45 117.00 114.69 1ld8 n LEU 851 Ca -0.08 -2.50 -0.10 0.00 -0.00 0.00 0.00 56.01 53.32 1ld8 n LEU 851 Cb 0.67 2.71 -0.05 0.00 -0.00 0.00 0.00 43.42 46.75 1ld8 n LEU 851 CO 0.44 -0.66 0.51 -0.78 -0.00 0.00 0.00 177.39 176.90 1ld8 h ASP 852 N 1.79 -0.56 -5.05 1.45 1.82 -1.88 -3.35 116.42 110.64 1ld8 h ASP 852 Ca -0.27 0.02 0.02 0.00 -0.39 0.00 0.00 57.03 56.41 1ld8 h ASP 852 Cb 1.09 0.14 -0.08 0.00 0.68 0.00 0.00 39.33 41.17 1ld8 h ASP 852 CO 0.35 -0.39 0.14 -1.59 -1.61 0.00 0.00 179.24 176.14 1ld8 s LYS 853 N -4.39 1.58 0.16 0.28 -2.85 -1.26 -0.28 119.74 112.98 1ld8 s LYS 853 Ca -0.10 -0.91 -0.34 0.00 -1.00 0.00 0.00 55.97 53.63 1ld8 s LYS 853 Cb 0.01 0.57 -0.15 0.00 -2.06 0.00 0.00 37.83 36.20 1ld8 s LYS 853 CO 0.29 -0.70 1.47 -2.30 0.10 0.00 0.00 175.35 174.20 1ld8 n PRO 854 N -0.41 1.83 0.00 1.78 -0.02 -1.23 -1.60 135.00 135.35 1ld8 n PRO 854 Ca -0.07 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1ld8 n PRO 854 Cb 0.61 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1ld8 n PRO 854 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ld8 n GLY 855 N 2.89 2.58 3.93 -1.23 0.00 -1.26 -5.07 105.19 107.03 1ld8 n GLY 855 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1ld8 n GLY 855 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ld8 s LYS 856 N -0.76 3.37 0.24 1.61 -0.14 -0.63 -5.09 119.74 118.35 1ld8 s LYS 856 Ca 0.00 -0.14 -0.05 0.00 -1.36 0.00 0.00 55.97 54.42 1ld8 s LYS 856 Cb 0.00 -2.50 -0.05 0.00 -1.68 0.00 0.00 37.83 33.59 1ld8 s LYS 856 CO 0.00 -0.14 0.50 -1.54 -0.76 0.00 0.00 175.35 173.41 1ld8 s SER 857 N -4.12 6.47 0.68 2.83 1.04 -1.26 -4.91 113.70 114.43 1ld8 s SER 857 Ca 0.46 0.67 -0.14 0.00 0.48 0.00 0.00 55.95 57.42 1ld8 s SER 857 Cb -0.10 -2.13 0.01 0.00 0.10 0.00 0.00 66.02 63.91 1ld8 s SER 857 CO 0.40 -0.11 1.12 0.00 0.98 0.00 0.00 173.24 175.63 1ld8 s ARG 858 N -3.25 2.64 0.12 4.02 1.70 -1.26 -4.72 118.95 118.20 1ld8 s ARG 858 Ca 0.43 1.39 -0.24 0.00 -0.47 0.00 0.00 55.73 56.84 1ld8 s ARG 858 Cb -0.11 -1.93 0.07 0.00 -0.57 0.00 0.00 34.95 32.41 1ld8 s ARG 858 CO 0.27 -1.38 0.63 0.16 -1.08 0.00 0.00 175.30 173.91 1ld8 s ASP 859 N -2.65 -0.56 0.39 -2.89 1.47 -1.22 -5.04 116.67 106.17 1ld8 s ASP 859 Ca 0.67 0.09 0.13 0.00 1.18 0.00 0.00 52.55 54.61 1ld8 s ASP 859 Cb -0.21 0.58 0.80 0.00 -0.34 0.00 0.00 42.92 43.75 1ld8 s ASP 859 CO 0.44 -0.90 1.88 -0.26 0.68 0.00 0.00 175.17 177.01 1ld8 h PHE 860 N 2.12 0.04 0.29 2.11 -1.00 -1.97 -1.92 116.94 116.62 1ld8 h PHE 860 Ca -0.32 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.44 1ld8 h PHE 860 Cb 1.28 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.84 1ld8 h PHE 860 CO 0.25 0.33 -0.14 -0.92 -1.61 0.00 0.00 178.31 176.22 1ld8 h TYR 861 N 0.04 -0.36 -0.04 -0.55 3.20 -1.94 -0.59 116.97 116.72 1ld8 h TYR 861 Ca 0.00 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 1ld8 h TYR 861 Cb 0.53 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 1ld8 h TYR 861 CO 0.00 -0.17 -0.38 0.45 -1.64 0.00 0.00 178.16 176.42 1ld8 h HIS 862 N -0.46 0.09 -0.46 -3.82 3.86 -1.80 -1.81 115.15 110.75 1ld8 h HIS 862 Ca -0.04 -0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.12 1ld8 h HIS 862 Cb 0.35 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 1ld8 h HIS 862 CO -0.04 0.44 0.15 1.15 0.86 0.00 0.00 177.93 180.49 1ld8 h THR 863 N 0.07 1.22 0.12 2.45 2.02 -1.11 0.59 112.91 118.27 1ld8 h THR 863 Ca 0.01 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 1ld8 h THR 863 Cb 0.70 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1ld8 h THR 863 CO 0.05 0.26 -0.06 0.00 0.37 0.00 0.00 175.52 176.15 1ld8 h TYR 865 N -0.35 0.00 -0.34 0.00 -1.99 -1.30 0.02 116.97 113.01 1ld8 h TYR 865 Ca -0.02 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.64 1ld8 h TYR 865 Cb 0.28 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.00 1ld8 h TYR 865 CO -0.01 0.71 -0.07 0.00 -0.00 0.00 0.00 178.16 178.78 1ld8 h LEU 867 N 0.43 1.00 -0.59 0.00 3.38 -1.40 -0.62 115.31 117.51 1ld8 h LEU 867 Ca 0.09 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.66 1ld8 h LEU 867 Cb 0.56 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1ld8 h LEU 867 CO 0.03 1.18 0.39 0.28 0.09 0.00 0.00 178.44 180.41 1ld8 h SER 868 N 0.82 0.68 -0.36 -0.43 0.02 -0.88 -1.41 113.55 111.99 1ld8 h SER 868 Ca 0.10 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.93 1ld8 h SER 868 Cb 0.80 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 1ld8 h SER 868 CO 0.07 0.49 -0.17 1.23 -1.14 0.00 0.00 176.83 177.30 1ld8 h GLY 869 N 0.80 0.90 1.01 -3.77 0.00 -0.88 -2.43 103.07 98.69 1ld8 h GLY 869 Ca 0.22 -0.74 -0.00 0.00 0.00 0.00 0.00 47.33 46.81 1ld8 h GLY 869 CO -0.05 0.67 0.47 -2.00 0.00 0.00 0.00 176.54 175.63 1ld8 h LEU 870 N 0.73 0.90 -0.56 3.11 5.85 -0.64 -1.24 115.31 123.46 1ld8 h LEU 870 Ca 0.11 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1ld8 h LEU 870 Cb 0.69 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1ld8 h LEU 870 CO 0.05 0.69 0.26 -1.28 -0.34 0.00 0.00 178.44 177.82 1ld8 h SER 871 N 1.03 0.74 -0.72 1.25 0.87 -1.08 -1.18 113.55 114.46 1ld8 h SER 871 Ca 0.27 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 1ld8 h SER 871 Cb -0.06 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.68 1ld8 h SER 871 CO -0.05 0.66 0.34 0.40 -0.53 0.00 0.00 176.83 177.65 1ld8 h ILE 872 N 0.76 1.24 0.00 2.23 2.04 -1.09 -1.68 117.51 121.00 1ld8 h ILE 872 Ca 0.19 -0.69 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 1ld8 h ILE 872 Cb 0.13 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1ld8 h ILE 872 CO -0.02 0.29 -0.25 0.00 0.00 0.00 0.00 178.15 178.16 1ld8 h ALA 873 N 1.16 1.31 0.00 1.87 0.00 -0.85 -3.02 119.26 119.74 1ld8 h ALA 873 Ca 0.25 -0.23 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 1ld8 h ALA 873 Cb 0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1ld8 h ALA 873 CO -0.03 0.32 -1.20 1.96 0.00 0.00 0.00 179.25 180.30 1ld8 h GLN 874 N 0.00 0.00 -5.09 0.00 4.20 -0.76 -3.43 115.11 110.02 1ld8 h GLN 874 Ca -0.00 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 58.04 1ld8 h GLN 874 Cb 0.54 0.00 -0.35 0.00 0.30 0.00 0.00 27.48 27.98 1ld8 h GLN 874 CO 0.03 0.68 -0.86 -1.01 -0.67 0.00 0.00 178.83 177.00 1ld8 s HIS 875 N -2.74 2.68 -0.08 2.96 3.76 -0.68 -0.76 115.29 120.43 1ld8 s HIS 875 Ca -0.01 -1.47 -0.01 0.00 -0.15 0.00 0.00 55.06 53.42 1ld8 s HIS 875 Cb 0.09 -1.84 -0.03 0.00 1.11 0.00 0.00 32.58 31.91 1ld8 s HIS 875 CO 0.81 -0.71 -0.04 0.12 -0.85 0.00 0.00 174.74 174.08 1ld8 s PHE 876 N 1.08 3.04 -0.24 1.40 5.36 -0.78 -4.79 117.98 123.05 1ld8 s PHE 876 Ca -0.01 0.08 -0.10 0.00 -0.96 0.00 0.00 56.93 55.95 1ld8 s PHE 876 Cb -0.14 -1.76 0.09 0.00 -0.34 0.00 0.00 43.02 40.87 1ld8 s PHE 876 CO -0.08 0.37 0.53 0.20 -1.46 0.00 0.00 175.22 174.79 1ld8 s GLY 877 N -0.78 -0.51 -0.20 13.12 0.00 -1.26 -1.76 107.32 115.92 1ld8 s GLY 877 Ca 0.12 1.93 -0.06 0.00 0.00 0.00 0.00 44.72 46.71 1ld8 s GLY 877 CO 0.02 2.45 0.39 -0.45 0.00 0.00 0.00 173.10 175.51 1ld8 s SER 878 N 2.26 -0.06 1.59 1.64 0.15 -0.28 -5.03 113.70 113.97 1ld8 s SER 878 Ca -0.06 0.75 0.00 0.00 0.70 0.00 0.00 55.95 57.34 1ld8 s SER 878 Cb -0.10 1.22 0.00 0.00 -1.71 0.00 0.00 66.02 65.43 1ld8 s SER 878 CO -0.16 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.64 1ld8 n GLY 879 N 5.38 2.87 0.65 9.45 0.00 -1.26 -1.35 105.19 120.93 1ld8 n GLY 879 Ca -0.07 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.84 1ld8 n GLY 879 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ld8 n ALA 880 N 11.28 3.01 -2.71 4.61 0.00 -1.26 -4.92 120.51 130.52 1ld8 n ALA 880 Ca 0.00 -0.62 -0.41 0.00 0.00 0.00 0.00 53.44 52.41 1ld8 n ALA 880 Cb 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 18.55 1ld8 n ALA 880 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1ld8 s MET 881 N -2.26 4.47 -0.05 0.00 1.00 -0.46 -5.05 119.30 116.96 1ld8 s MET 881 Ca 0.24 1.14 0.00 0.00 0.00 0.00 0.00 55.69 57.07 1ld8 s MET 881 Cb 0.19 -3.47 0.02 0.00 0.00 0.00 0.00 34.83 31.58 1ld8 s MET 881 CO 0.44 -0.04 -0.03 -0.51 0.00 0.00 0.00 175.02 174.89 1ld8 s LEU 882 N 1.08 1.10 -0.12 -0.03 1.43 -1.26 -1.13 118.68 119.75 1ld8 s LEU 882 Ca 0.44 -0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 53.40 1ld8 s LEU 882 Cb -0.19 -0.42 0.05 0.00 0.03 0.00 0.00 46.19 45.66 1ld8 s LEU 882 CO 0.22 -0.10 0.08 -2.28 0.23 0.00 0.00 176.35 174.50 1ld8 s HIS 883 N 1.23 0.12 -0.02 0.29 2.46 -0.72 -5.02 115.29 113.63 1ld8 s HIS 883 Ca -0.06 -0.04 -0.05 0.00 0.47 0.00 0.00 55.06 55.38 1ld8 s HIS 883 Cb -0.14 -0.59 -0.04 0.00 -0.13 0.00 0.00 32.58 31.68 1ld8 s HIS 883 CO -0.02 -0.38 0.21 -0.51 -2.47 0.00 0.00 174.74 171.57 1ld8 s ASP 884 N 2.16 6.42 -0.44 9.88 -0.00 -1.26 -1.86 116.67 131.57 1ld8 s ASP 884 Ca 0.03 0.44 0.03 0.00 -0.00 0.00 0.00 52.55 53.06 1ld8 s ASP 884 Cb -0.14 -2.04 0.16 0.00 -0.00 0.00 0.00 42.92 40.89 1ld8 s ASP 884 CO -0.07 0.27 0.31 -0.69 -0.00 0.00 0.00 175.17 175.00 1ld8 s VAL 885 N -1.28 0.84 -0.53 -1.27 1.01 0.06 -5.03 120.40 114.21 1ld8 s VAL 885 Ca 0.26 -2.64 -0.18 0.00 0.00 0.00 0.00 61.98 59.42 1ld8 s VAL 885 Cb -0.13 -1.59 0.08 0.00 0.00 0.00 0.00 36.38 34.74 1ld8 s VAL 885 CO 0.16 -1.08 0.61 -0.69 0.00 0.00 0.00 175.10 174.09 1ld8 s VAL 886 N 0.14 4.93 0.35 2.92 1.01 -1.26 -4.37 120.40 124.11 1ld8 s VAL 886 Ca 0.26 -0.76 -0.27 0.00 0.00 0.00 0.00 61.98 61.21 1ld8 s VAL 886 Cb -0.09 -4.33 -0.09 0.00 0.00 0.00 0.00 36.38 31.87 1ld8 s VAL 886 CO -0.11 -0.87 1.08 -0.22 0.00 0.00 0.00 175.10 174.99 1ld8 s LEU 887 N 2.46 4.33 0.00 3.92 2.96 -1.26 -4.84 118.68 126.25 1ld8 s LEU 887 Ca 0.12 2.17 0.00 0.00 -0.22 0.00 0.00 54.13 56.19 1ld8 s LEU 887 Cb -0.22 -3.92 0.00 0.00 0.50 0.00 0.00 46.19 42.55 1ld8 s LEU 887 CO 0.09 -0.35 0.00 0.61 -1.32 0.00 0.00 176.35 175.38 1ld8 n GLY 888 N 0.76 -0.89 3.77 7.98 0.00 -1.26 -4.83 105.19 110.71 1ld8 n GLY 888 Ca 0.02 -1.44 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 1ld8 n GLY 888 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ld8 s VAL 889 N 0.00 2.80 0.56 1.61 -7.23 -0.91 -4.83 120.40 112.40 1ld8 s VAL 889 Ca 0.00 0.72 0.29 0.00 -1.81 0.00 0.00 61.98 61.18 1ld8 s VAL 889 Cb 0.00 -3.42 0.42 0.00 0.56 0.00 0.00 36.38 33.94 1ld8 s VAL 889 CO 0.00 0.11 1.91 1.55 -0.31 0.00 0.00 175.10 178.35 1ld8 h PRO 890 N 2.79 0.00 0.00 4.82 0.13 -1.89 -0.22 132.00 137.64 1ld8 h PRO 890 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1ld8 h PRO 890 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ld8 h PRO 890 CO 0.63 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.79 1ld8 n GLU 891 N -4.00 0.11 0.29 0.86 4.71 -1.26 -2.01 120.64 119.33 1ld8 n GLU 891 Ca 0.12 0.49 0.19 0.00 -0.01 0.00 0.00 57.16 57.95 1ld8 n GLU 891 Cb 0.76 -1.78 0.83 0.00 -1.01 0.00 0.00 31.44 30.24 1ld8 n GLU 891 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 1ld8 h ASN 892 N 0.00 0.00 -2.05 1.62 2.35 -1.35 -3.44 115.58 112.71 1ld8 h ASN 892 Ca 0.00 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.13 1ld8 h ASN 892 Cb 0.14 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.54 1ld8 h ASN 892 CO 0.00 0.00 1.03 0.00 -1.65 0.00 0.00 177.43 176.81 1ld8 n ALA 893 N -2.08 0.89 -2.37 -0.83 0.00 -0.85 -4.97 120.51 110.29 1ld8 n ALA 893 Ca -0.00 0.32 -0.19 0.00 0.00 0.00 0.00 53.44 53.57 1ld8 n ALA 893 Cb 0.24 -2.45 -0.00 0.00 0.00 0.00 0.00 19.45 17.23 1ld8 n ALA 893 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ld8 s LEU 894 N 3.43 3.87 0.45 0.00 1.43 -1.26 -5.02 118.68 121.58 1ld8 s LEU 894 Ca 0.90 -0.27 -0.22 0.00 -1.03 0.00 0.00 54.13 53.51 1ld8 s LEU 894 Cb -0.71 -2.69 -0.08 0.00 0.03 0.00 0.00 46.19 42.74 1ld8 s LEU 894 CO 0.50 -0.50 1.08 -1.10 0.23 0.00 0.00 176.35 176.56 1ld8 s GLN 895 N -4.20 3.89 0.88 1.70 -1.52 -0.15 -5.00 119.66 115.25 1ld8 s GLN 895 Ca 0.47 1.55 -0.11 0.00 -1.95 0.00 0.00 55.36 55.32 1ld8 s GLN 895 Cb -0.09 -2.34 0.12 0.00 -0.22 0.00 0.00 33.01 30.47 1ld8 s GLN 895 CO 0.31 -0.39 1.10 -1.25 -0.25 0.00 0.00 175.29 174.81 1ld8 s PRO 896 N -2.81 1.39 0.03 2.91 0.04 -1.26 -4.83 135.00 130.47 1ld8 s PRO 896 Ca 0.63 1.15 0.04 0.00 0.04 0.00 0.00 61.00 62.86 1ld8 s PRO 896 Cb -0.22 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1ld8 s PRO 896 CO 0.27 -2.25 -0.11 -0.08 0.04 0.00 0.00 177.00 174.88 1ld8 s THR 897 N -2.81 0.82 -0.02 1.26 -1.32 -1.26 -4.37 115.64 107.94 1ld8 s THR 897 Ca 0.64 -0.91 -0.30 0.00 -1.21 0.00 0.00 61.69 59.91 1ld8 s THR 897 Cb -0.19 -0.78 -0.03 0.00 -1.51 0.00 0.00 72.50 69.98 1ld8 s THR 897 CO 0.57 -0.11 1.10 -2.28 -2.21 0.00 0.00 174.62 171.70 1ld8 s HIS 898 N -0.91 3.45 0.47 9.09 2.46 -0.18 -4.79 115.29 124.88 1ld8 s HIS 898 Ca -0.02 1.45 0.27 0.00 0.47 0.00 0.00 55.06 57.22 1ld8 s HIS 898 Cb -0.08 -3.29 1.51 0.00 -0.13 0.00 0.00 32.58 30.59 1ld8 s HIS 898 CO 0.01 -0.72 2.12 -1.00 -2.47 0.00 0.00 174.74 172.68 1ld8 h PRO 899 N 7.04 0.00 0.00 2.88 0.13 -1.93 0.17 132.00 140.30 1ld8 h PRO 899 Ca -0.37 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.72 1ld8 h PRO 899 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1ld8 h PRO 899 CO 0.82 0.09 -0.27 0.28 -0.23 0.00 0.00 178.00 178.70 1ld8 h VAL 900 N 0.00 0.90 0.00 1.56 2.07 -1.92 -3.41 116.25 115.45 1ld8 h VAL 900 Ca -0.00 -1.76 -0.10 0.00 0.82 0.00 0.00 66.70 65.66 1ld8 h VAL 900 Cb 0.23 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1ld8 h VAL 900 CO 0.01 0.30 -1.33 -1.22 0.02 0.00 0.00 177.57 175.36 1ld8 n TYR 901 N -4.63 0.90 -3.29 1.57 4.02 -1.23 -4.98 117.16 109.51 1ld8 n TYR 901 Ca -0.10 0.28 -0.16 0.00 -0.01 0.00 0.00 57.90 57.91 1ld8 n TYR 901 Cb 0.34 -1.01 0.08 0.00 -0.02 0.00 0.00 39.34 38.73 1ld8 n TYR 901 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1ld8 n ASN 902 N -2.77 -2.55 -4.03 7.72 5.15 0.60 -5.01 115.26 114.37 1ld8 n ASN 902 Ca -0.06 -0.54 -0.08 0.00 -0.60 0.00 0.00 54.58 53.29 1ld8 n ASN 902 Cb 0.73 -4.59 -0.09 0.00 -0.53 0.00 0.00 39.78 35.30 1ld8 n ASN 902 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1ld8 s ILE 903 N -3.31 0.15 0.33 -1.44 -4.36 -1.26 -4.88 121.20 106.43 1ld8 s ILE 903 Ca 0.07 -1.61 -0.27 0.00 -0.26 0.00 0.00 60.65 58.58 1ld8 s ILE 903 Cb -0.03 -1.65 -0.13 0.00 1.25 0.00 0.00 42.46 41.90 1ld8 s ILE 903 CO 0.65 -0.68 0.97 0.61 0.24 0.00 0.00 174.94 176.73 1ld8 n GLY 904 N -0.03 -0.34 0.32 6.27 0.00 -1.26 -1.01 105.19 109.14 1ld8 n GLY 904 Ca -0.11 0.26 0.04 0.00 0.00 0.00 0.00 46.02 46.21 1ld8 n GLY 904 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ld8 h PRO 905 N 1.80 0.59 -0.57 1.61 0.11 -1.87 -0.14 132.00 133.53 1ld8 h PRO 905 Ca -0.41 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 1ld8 h PRO 905 Cb 1.34 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1ld8 h PRO 905 CO 0.59 0.39 0.13 0.38 -0.21 0.00 0.00 178.00 179.29 1ld8 h ASP 906 N 0.61 0.82 -0.23 -2.05 2.03 -1.93 -1.83 116.42 113.84 1ld8 h ASP 906 Ca 0.17 -0.15 -0.13 0.00 -0.73 0.00 0.00 57.03 56.20 1ld8 h ASP 906 Cb -0.04 -0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 38.23 1ld8 h ASP 906 CO -0.04 0.80 -0.30 0.11 -1.03 0.00 0.00 179.24 178.78 1ld8 h LYS 907 N 0.84 0.73 -0.05 4.15 1.79 -1.38 -1.79 116.57 120.86 1ld8 h LYS 907 Ca 0.18 -0.33 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 1ld8 h LYS 907 Cb 0.31 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1ld8 h LYS 907 CO -0.00 0.94 0.01 0.28 -1.08 0.00 0.00 179.45 179.60 1ld8 h VAL 908 N 0.63 1.19 -0.30 0.50 2.07 -0.95 -1.35 116.25 118.03 1ld8 h VAL 908 Ca 0.07 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 1ld8 h VAL 908 Cb 0.82 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1ld8 h VAL 908 CO 0.07 0.16 0.18 0.40 0.02 0.00 0.00 177.57 178.40 1ld8 h ILE 909 N -0.13 1.10 -0.58 4.57 2.04 -1.30 -0.01 117.51 123.21 1ld8 h ILE 909 Ca 0.02 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1ld8 h ILE 909 Cb 0.24 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1ld8 h ILE 909 CO 0.00 0.10 0.29 -0.61 0.00 0.00 0.00 178.15 177.93 1ld8 h GLN 910 N 0.38 0.82 0.09 2.37 4.15 -1.31 -0.22 115.11 121.40 1ld8 h GLN 910 Ca 0.11 -0.11 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 1ld8 h GLN 910 Cb 0.01 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.55 1ld8 h GLN 910 CO -0.02 0.66 -0.04 0.00 -1.93 0.00 0.00 178.83 177.49 1ld8 h ALA 911 N 1.12 -0.13 -0.91 3.38 0.00 -1.06 -1.58 119.26 120.08 1ld8 h ALA 911 Ca 0.20 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1ld8 h ALA 911 Cb 0.09 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1ld8 h ALA 911 CO -0.03 -0.37 0.60 1.79 0.00 0.00 0.00 179.25 181.24 1ld8 h THR 912 N -0.52 1.16 -0.42 0.00 1.35 -0.96 -0.48 112.91 113.03 1ld8 h THR 912 Ca -0.01 -0.39 -0.04 0.00 -0.55 0.00 0.00 66.41 65.41 1ld8 h THR 912 Cb 0.43 -0.09 -0.02 0.00 -1.73 0.00 0.00 68.15 66.74 1ld8 h THR 912 CO 0.02 0.21 0.11 0.74 -0.25 0.00 0.00 175.52 176.35 1ld8 h THR 913 N 1.15 1.23 0.40 6.82 2.02 -0.99 -0.42 112.91 123.12 1ld8 h THR 913 Ca 0.36 -0.79 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 1ld8 h THR 913 Cb 0.01 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1ld8 h THR 913 CO -0.11 0.28 -0.19 0.22 0.37 0.00 0.00 175.52 176.09 1ld8 h TYR 914 N 0.55 -0.50 0.00 3.16 3.20 -0.52 -3.09 116.97 119.76 1ld8 h TYR 914 Ca 0.13 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 1ld8 h TYR 914 Cb 0.31 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1ld8 h TYR 914 CO 0.02 -0.29 -0.25 0.74 -1.64 0.00 0.00 178.16 176.74 1ld8 h PHE 915 N -0.58 0.00 0.00 -3.82 -1.00 -1.09 -2.48 116.94 107.97 1ld8 h PHE 915 Ca -0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.72 1ld8 h PHE 915 Cb 0.44 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.00 1ld8 h PHE 915 CO -0.04 0.25 0.00 -0.07 -1.61 0.00 0.00 178.31 176.84 1ld8 h LEU 916 N 0.00 0.00 -0.31 1.54 3.38 -0.98 -0.59 115.31 118.35 1ld8 h LEU 916 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ld8 h LEU 916 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1ld8 h LEU 916 CO 0.03 0.00 -0.08 0.00 0.09 0.00 0.00 178.44 178.48 1ld8 n GLN 917 N -2.43 0.89 -4.13 1.13 6.02 -0.93 -4.81 117.38 113.11 1ld8 n GLN 917 Ca 0.00 -0.31 -0.28 0.00 -0.01 0.00 0.00 57.00 56.41 1ld8 n GLN 917 Cb 0.16 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 29.86 1ld8 n GLN 917 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1ld8 s LYS 918 N -2.33 2.64 0.61 -1.09 1.02 -0.23 -5.12 119.74 115.25 1ld8 s LYS 918 Ca 0.33 -0.92 -0.10 0.00 0.02 0.00 0.00 55.97 55.31 1ld8 s LYS 918 Cb 0.20 -2.53 -0.03 0.00 -0.52 0.00 0.00 37.83 34.96 1ld8 s LYS 918 CO 0.44 0.50 0.98 -1.25 -0.92 0.00 0.00 175.35 175.10 1ld8 s PRO 919 N -2.77 3.39 0.01 -1.68 0.04 -1.26 -4.99 135.00 127.73 1ld8 s PRO 919 Ca 0.28 0.52 -0.30 0.00 0.04 0.00 0.00 61.00 61.54 1ld8 s PRO 919 Cb -0.10 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 1ld8 s PRO 919 CO 0.20 -0.60 1.30 0.08 0.04 0.00 0.00 177.00 178.03 1ld8 s VAL 920 N -3.11 3.89 -0.42 -0.36 1.01 -1.26 -4.88 120.40 115.27 1ld8 s VAL 920 Ca 0.54 1.29 -0.42 0.00 0.00 0.00 0.00 61.98 63.39 1ld8 s VAL 920 Cb -0.11 -3.83 -0.17 0.00 0.00 0.00 0.00 36.38 32.28 1ld8 s VAL 920 CO 0.51 0.03 1.94 -2.65 0.00 0.00 0.00 175.10 174.93 1ld8 n PRO 921 N 4.91 0.50 -1.11 2.72 -0.02 -1.26 0.78 135.00 141.51 1ld8 n PRO 921 Ca 0.12 0.16 -0.04 0.00 -2.02 0.00 0.00 63.50 61.72 1ld8 n PRO 921 Cb 0.45 -1.84 -0.02 0.00 -0.02 0.00 0.00 33.50 32.07 1ld8 n PRO 921 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ld8 n GLY 922 N 5.78 0.56 3.99 -1.23 0.00 -1.26 -5.04 105.19 107.99 1ld8 n GLY 922 Ca 0.40 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1ld8 n GLY 922 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65