#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h6i s SER 516 N 0.00 6.35 0.69 4.04 0.01 -1.26 -5.10 113.70 118.43 2h6i s SER 516 Ca 0.00 0.23 -0.14 0.00 1.31 0.00 0.00 55.95 57.36 2h6i s SER 516 Cb 0.00 -1.94 0.01 0.00 0.21 0.00 0.00 66.02 64.31 2h6i s SER 516 CO 0.00 0.04 1.10 -2.84 0.41 0.00 0.00 173.24 171.95 2h6i s PRO 517 N -3.21 2.68 0.66 12.44 0.02 -1.26 -4.89 135.00 141.43 2h6i s PRO 517 Ca 0.35 1.30 0.43 0.00 0.02 0.00 0.00 61.00 63.11 2h6i s PRO 517 Cb -0.11 -1.94 2.36 0.00 0.02 0.00 0.00 34.50 34.83 2h6i s PRO 517 CO 0.29 -1.33 2.33 -0.39 -0.33 0.00 0.00 177.00 177.56 2h6i h VAL 518 N -0.31 0.00 -0.15 3.83 -1.51 -2.04 -1.89 116.25 114.18 2h6i h VAL 518 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2h6i h VAL 518 Cb 1.24 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 2h6i h VAL 518 CO 0.54 0.00 0.00 -2.67 -1.23 0.00 0.00 177.57 174.21 2h6i n TRP 519 N -3.04 0.19 -4.31 5.19 4.27 -1.26 -4.80 117.44 113.67 2h6i n TRP 519 Ca -0.03 -0.09 -0.20 0.00 -3.89 0.00 0.00 57.50 53.29 2h6i n TRP 519 Cb 0.08 0.00 -0.16 0.00 -1.36 0.00 0.00 31.31 29.88 2h6i n TRP 519 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 2h6i s SER 520 N -1.66 1.11 -0.15 -0.67 0.15 -0.71 -4.14 113.70 107.62 2h6i s SER 520 Ca 0.34 -0.17 -0.03 0.00 0.70 0.00 0.00 55.95 56.79 2h6i s SER 520 Cb 0.19 -0.39 0.05 0.00 -1.71 0.00 0.00 66.02 64.16 2h6i s SER 520 CO 0.28 0.02 0.05 -0.70 1.20 0.00 0.00 173.24 174.10 2h6i s GLU 521 N 0.44 0.35 0.31 5.44 2.12 -0.05 -4.44 118.70 122.88 2h6i s GLU 521 Ca -0.07 -0.13 -0.29 0.00 0.36 0.00 0.00 54.97 54.84 2h6i s GLU 521 Cb -0.11 -1.65 -0.11 0.00 0.26 0.00 0.00 34.13 32.52 2h6i s GLU 521 CO 0.01 -0.56 1.57 -2.14 -0.54 0.00 0.00 175.26 173.60 2h6i s PRO 522 N 2.01 4.11 -0.03 4.30 0.02 -1.26 -4.80 135.00 139.35 2h6i s PRO 522 Ca 0.02 2.59 0.03 0.00 0.02 0.00 0.00 61.00 63.66 2h6i s PRO 522 Cb -0.15 -3.01 -0.03 0.00 0.02 0.00 0.00 34.50 31.33 2h6i s PRO 522 CO -0.07 -0.62 -0.12 -0.51 -0.33 0.00 0.00 177.00 175.35 2h6i s LEU 523 N -0.89 2.87 0.24 -5.54 1.43 -1.26 -5.02 118.68 110.52 2h6i s LEU 523 Ca 0.61 -0.18 -0.05 0.00 -1.03 0.00 0.00 54.13 53.48 2h6i s LEU 523 Cb -0.48 -1.62 0.35 0.00 0.03 0.00 0.00 46.19 44.48 2h6i s LEU 523 CO 0.52 0.33 1.84 0.22 0.23 0.00 0.00 176.35 179.48 2h6i h TYR 524 N 5.10 0.94 0.00 0.29 3.20 -1.95 -1.76 116.97 122.79 2h6i h TYR 524 Ca -0.47 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.43 2h6i h TYR 524 Cb 1.16 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.13 2h6i h TYR 524 CO 0.53 0.45 0.00 0.43 -1.64 0.00 0.00 178.16 177.93 2h6i n SER 525 N -4.66 0.53 -0.80 -2.11 7.64 -1.26 -2.86 113.62 110.11 2h6i n SER 525 Ca 0.13 0.64 0.08 0.00 1.01 0.00 0.00 58.87 60.73 2h6i n SER 525 Cb 0.21 -0.75 0.14 0.00 -1.01 0.00 0.00 64.21 62.80 2h6i n SER 525 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2h6i n LEU 526 N -2.09 2.82 -4.77 -3.43 4.77 -0.67 -4.89 117.00 108.73 2h6i n LEU 526 Ca 0.02 -1.40 -0.40 0.00 -0.03 0.00 0.00 56.01 54.20 2h6i n LEU 526 Cb 0.21 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 2h6i n LEU 526 CO 0.18 0.60 0.94 -0.13 -1.33 0.00 0.00 177.39 177.65 2h6i s ARG 527 N -1.25 4.08 0.40 3.23 0.52 -1.13 -4.90 118.95 119.90 2h6i s ARG 527 Ca 0.26 2.11 0.12 0.00 -0.52 0.00 0.00 55.73 57.70 2h6i s ARG 527 Cb 0.16 -2.82 0.94 0.00 0.52 0.00 0.00 34.95 33.75 2h6i s ARG 527 CO 0.22 -0.38 1.94 -1.00 0.02 0.00 0.00 175.30 176.10 2h6i h PRO 528 N 2.84 0.52 0.00 3.54 0.13 -1.94 0.74 132.00 137.83 2h6i h PRO 528 Ca -0.49 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2h6i h PRO 528 Cb 1.24 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2h6i h PRO 528 CO 0.63 0.34 0.00 -0.85 -0.23 0.00 0.00 178.00 177.89 2h6i n GLU 529 N -4.49 0.13 0.30 0.86 0.00 -1.26 -2.84 120.64 113.34 2h6i n GLU 529 Ca 0.13 0.29 0.20 0.00 0.00 0.00 0.00 57.16 57.77 2h6i n GLU 529 Cb 0.41 -1.72 0.95 0.00 0.00 0.00 0.00 31.44 31.08 2h6i n GLU 529 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2h6i h HIS 530 N 0.00 0.00 0.00 -1.84 2.76 -1.15 -1.99 115.15 112.93 2h6i h HIS 530 Ca 0.00 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 2h6i h HIS 530 Cb 0.42 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.38 2h6i h HIS 530 CO 0.00 0.00 -0.16 0.00 -1.30 0.00 0.00 177.93 176.47 2h6i h ALA 531 N 2.01 1.56 0.00 5.26 0.00 -1.68 -2.38 119.26 124.04 2h6i h ALA 531 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2h6i h ALA 531 Cb 0.22 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2h6i h ALA 531 CO 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 179.25 179.39 2h6i h ARG 532 N 0.00 0.00 0.00 0.00 3.08 -1.60 -2.61 114.38 113.24 2h6i h ARG 532 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2h6i h ARG 532 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2h6i h ARG 532 CO 0.02 0.07 0.00 0.39 -1.07 0.00 0.00 179.97 179.38 2h6i n GLU 533 N -3.54 0.83 -2.35 0.04 -0.58 -0.90 -4.84 120.64 109.31 2h6i n GLU 533 Ca -0.02 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.37 2h6i n GLU 533 Cb 0.19 -1.42 -0.01 0.00 -0.57 0.00 0.00 31.44 29.63 2h6i n GLU 533 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2h6i s ARG 534 N -2.00 3.55 0.24 3.49 1.81 -0.99 -4.22 118.95 120.83 2h6i s ARG 534 Ca 0.34 1.56 -0.30 0.00 -1.72 0.00 0.00 55.73 55.60 2h6i s ARG 534 Cb 0.15 -2.09 -0.15 0.00 -0.45 0.00 0.00 34.95 32.42 2h6i s ARG 534 CO 0.26 -0.68 1.09 -0.11 -0.68 0.00 0.00 175.30 175.18 2h6i n LEU 535 N -1.08 1.72 -4.05 2.53 7.94 -1.26 -4.98 117.00 117.82 2h6i n LEU 535 Ca 0.10 1.16 -0.33 0.00 -1.11 0.00 0.00 56.01 55.83 2h6i n LEU 535 Cb 0.51 -1.26 -0.14 0.00 0.53 0.00 0.00 43.42 43.06 2h6i n LEU 535 CO 0.42 -1.33 -0.25 -1.10 -1.11 0.00 0.00 177.39 174.02 2h6i s GLN 536 N -1.01 1.74 -0.03 1.96 -0.21 -1.26 -4.97 119.66 115.87 2h6i s GLN 536 Ca 0.65 -1.94 0.05 0.00 0.02 0.00 0.00 55.36 54.14 2h6i s GLN 536 Cb -0.76 -3.37 0.19 0.00 1.00 0.00 0.00 33.01 30.07 2h6i s GLN 536 CO 0.56 -1.01 0.98 -0.40 -2.12 0.00 0.00 175.29 173.30 2h6i n ASP 537 N 4.26 1.59 -1.95 5.90 5.68 -1.26 -4.88 116.55 125.89 2h6i n ASP 537 Ca 0.02 -2.12 -0.07 0.00 -0.50 0.00 0.00 54.79 52.13 2h6i n ASP 537 Cb 0.41 -0.33 -0.01 0.00 -1.14 0.00 0.00 41.12 40.04 2h6i n ASP 537 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2h6i n ASP 538 N 0.10 -2.32 -1.48 -1.12 8.00 -1.26 0.37 116.55 118.85 2h6i n ASP 538 Ca 0.07 0.26 -0.19 0.00 0.71 0.00 0.00 54.79 55.64 2h6i n ASP 538 Cb 0.32 -2.17 -0.08 0.00 -0.02 0.00 0.00 41.12 39.17 2h6i n ASP 538 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2h6i n SER 539 N -0.90 -5.33 -3.97 -2.24 7.64 -1.26 -4.94 113.62 102.61 2h6i n SER 539 Ca -0.08 0.48 -0.31 0.00 1.01 0.00 0.00 58.87 59.97 2h6i n SER 539 Cb 0.43 -4.53 -0.15 0.00 -1.01 0.00 0.00 64.21 58.95 2h6i n SER 539 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2h6i s VAL 540 N -2.71 2.07 0.07 0.44 1.01 0.16 -5.10 120.40 116.34 2h6i s VAL 540 Ca 0.00 -2.23 -0.19 0.00 0.00 0.00 0.00 61.98 59.56 2h6i s VAL 540 Cb 0.00 -2.54 -0.07 0.00 0.00 0.00 0.00 36.38 33.78 2h6i s VAL 540 CO 0.00 -0.62 0.57 -1.61 0.00 0.00 0.00 175.10 173.44 2h6i s GLU 541 N 0.98 4.19 0.23 2.72 2.02 -1.26 -4.91 118.70 122.67 2h6i s GLU 541 Ca 0.11 0.73 -0.02 0.00 0.02 0.00 0.00 54.97 55.80 2h6i s GLU 541 Cb -0.19 -3.23 -0.03 0.00 0.10 0.00 0.00 34.13 30.78 2h6i s GLU 541 CO -0.10 0.64 0.22 0.95 0.02 0.00 0.00 175.26 176.99 2h6i s THR 542 N -1.12 0.00 0.32 3.63 -4.23 -1.26 -5.02 115.64 107.96 2h6i s THR 542 Ca 0.29 -1.88 0.08 0.00 -1.18 0.00 0.00 61.69 59.00 2h6i s THR 542 Cb -0.19 -2.46 0.31 0.00 1.34 0.00 0.00 72.50 71.50 2h6i s THR 542 CO 0.19 0.00 1.78 0.58 -0.54 0.00 0.00 174.62 176.63 2h6i h VAL 543 N 2.48 0.68 0.13 2.29 2.07 -1.99 -2.00 116.25 119.91 2h6i h VAL 543 Ca -0.33 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2h6i h VAL 543 Cb 1.25 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2h6i h VAL 543 CO 0.47 0.13 -0.10 0.74 0.02 0.00 0.00 177.57 178.83 2h6i h THR 544 N 0.69 0.78 -0.44 2.57 2.02 -1.96 -1.48 112.91 115.10 2h6i h THR 544 Ca 0.58 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.63 2h6i h THR 544 Cb 1.00 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 2h6i h THR 544 CO -0.37 0.00 -0.22 0.77 0.37 0.00 0.00 175.52 176.08 2h6i h SER 545 N -0.24 0.91 -0.35 4.18 4.64 -1.83 -2.17 113.55 118.68 2h6i h SER 545 Ca -0.00 -0.33 0.01 0.00 -0.47 0.00 0.00 61.79 60.99 2h6i h SER 545 Cb 0.22 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 2h6i h SER 545 CO -0.01 1.09 0.21 0.40 -0.87 0.00 0.00 176.83 177.65 2h6i h ILE 546 N 0.77 1.05 -0.45 0.95 2.04 -1.26 0.62 117.51 121.22 2h6i h ILE 546 Ca 0.10 -0.15 -0.14 0.00 1.00 0.00 0.00 64.86 65.68 2h6i h ILE 546 Cb 0.76 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 2h6i h ILE 546 CO 0.06 0.08 -0.25 -0.33 0.00 0.00 0.00 178.15 177.71 2h6i h GLU 547 N 0.42 0.96 -0.34 2.37 4.39 -1.25 -2.64 114.58 118.50 2h6i h GLU 547 Ca 0.13 -0.43 -0.01 0.00 0.34 0.00 0.00 59.36 59.40 2h6i h GLU 547 Cb -0.01 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 2h6i h GLU 547 CO -0.06 1.09 0.18 0.37 -1.16 0.00 0.00 179.01 179.43 2h6i h GLN 548 N 0.82 0.48 -0.92 2.33 5.75 -1.16 -2.59 115.11 119.81 2h6i h GLN 548 Ca 0.10 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.54 2h6i h GLN 548 Cb 0.83 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 29.24 2h6i h GLN 548 CO 0.07 0.41 0.60 0.00 -2.65 0.00 0.00 178.83 177.27 2h6i h ALA 549 N 1.04 1.17 -0.27 3.38 0.00 -0.85 -1.58 119.26 122.16 2h6i h ALA 549 Ca 0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2h6i h ALA 549 Cb 0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2h6i h ALA 549 CO -0.02 0.58 0.17 0.87 0.00 0.00 0.00 179.25 180.85 2h6i h LYS 550 N 1.26 0.36 -0.20 0.00 1.57 -1.29 -0.75 116.57 117.52 2h6i h LYS 550 Ca 0.34 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 2h6i h LYS 550 Cb -0.13 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 2h6i h LYS 550 CO -0.07 0.28 0.10 0.28 -0.57 0.00 0.00 179.45 179.46 2h6i h VAL 551 N 0.34 1.13 -0.98 0.50 2.07 -1.26 -2.37 116.25 115.69 2h6i h VAL 551 Ca 0.10 -0.37 0.10 0.00 0.82 0.00 0.00 66.70 67.35 2h6i h VAL 551 Cb 0.00 1.01 -0.08 0.00 -1.52 0.00 0.00 31.29 30.70 2h6i h VAL 551 CO -0.02 0.13 0.62 -0.33 0.02 0.00 0.00 177.57 177.98 2h6i h GLU 552 N 0.20 0.99 -0.43 1.57 5.08 -1.10 0.47 114.58 121.37 2h6i h GLU 552 Ca 0.07 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2h6i h GLU 552 Cb 0.11 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2h6i h GLU 552 CO -0.01 0.66 0.27 1.49 -1.00 0.00 0.00 179.01 180.42 2h6i h GLU 553 N 1.02 0.53 -0.50 2.33 4.57 -0.68 -0.08 114.58 121.78 2h6i h GLU 553 Ca 0.47 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.51 2h6i h GLU 553 Cb 0.39 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 2h6i h GLU 553 CO -0.24 0.35 -0.09 -0.22 -1.18 0.00 0.00 179.01 177.64 2h6i h LYS 554 N 0.55 0.94 -0.19 1.92 1.63 -0.81 -2.79 116.57 117.81 2h6i h LYS 554 Ca 0.16 -0.34 -0.09 0.00 -0.85 0.00 0.00 60.65 59.53 2h6i h LYS 554 Cb -0.03 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 2h6i h LYS 554 CO -0.06 1.00 -0.27 0.82 -3.45 0.00 0.00 179.45 177.49 2h6i h ILE 555 N 0.79 1.26 -0.37 2.00 1.08 -0.65 -1.60 117.51 120.02 2h6i h ILE 555 Ca 0.13 -1.25 -0.05 0.00 -0.39 0.00 0.00 64.86 63.30 2h6i h ILE 555 Cb 0.63 1.42 -0.01 0.00 -3.07 0.00 0.00 36.82 35.79 2h6i h ILE 555 CO 0.04 0.39 0.03 -0.61 -0.69 0.00 0.00 178.15 177.31 2h6i h GLN 556 N 0.33 0.63 -0.33 2.37 5.75 -0.94 -0.07 115.11 122.85 2h6i h GLN 556 Ca 0.05 -0.18 0.05 0.00 -0.15 0.00 0.00 58.65 58.41 2h6i h GLN 556 Cb 0.66 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 29.10 2h6i h GLN 556 CO 0.05 0.72 0.07 0.93 -2.65 0.00 0.00 178.83 177.94 2h6i h GLU 557 N 0.46 0.18 0.26 1.69 5.08 -1.19 -0.20 114.58 120.87 2h6i h GLU 557 Ca 0.11 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2h6i h GLU 557 Cb 0.41 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2h6i h GLU 557 CO 0.01 0.12 -0.19 0.28 -1.00 0.00 0.00 179.01 178.23 2h6i h VAL 558 N 0.19 0.59 -0.54 3.13 2.07 -1.10 -2.33 116.25 118.25 2h6i h VAL 558 Ca 0.15 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.78 2h6i h VAL 558 Cb 0.17 0.59 -0.10 0.00 -1.52 0.00 0.00 31.29 30.43 2h6i h VAL 558 CO -0.20 0.00 -0.09 -0.26 0.02 0.00 0.00 177.57 177.04 2h6i h PHE 559 N -0.46 -0.21 -0.06 1.57 0.05 -0.55 -0.58 116.94 116.70 2h6i h PHE 559 Ca -0.02 0.05 0.02 0.00 3.82 0.00 0.00 57.97 61.83 2h6i h PHE 559 Cb 0.40 0.18 -0.00 0.00 2.00 0.00 0.00 35.95 38.52 2h6i h PHE 559 CO -0.11 -0.20 0.04 0.77 -0.18 0.00 0.00 178.31 178.63 2h6i h SER 560 N 0.03 0.00 0.49 2.17 0.02 -0.80 -1.67 113.55 113.79 2h6i h SER 560 Ca 0.27 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2h6i h SER 560 Cb 0.42 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2h6i h SER 560 CO -0.53 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 173.62 2h6i n SER 561 N -4.52 0.32 -1.14 3.07 3.41 -0.23 -2.10 113.62 112.42 2h6i n SER 561 Ca -0.02 0.59 0.11 0.00 -0.26 0.00 0.00 58.87 59.30 2h6i n SER 561 Cb 0.15 -0.65 0.22 0.00 -0.26 0.00 0.00 64.21 63.66 2h6i n SER 561 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2h6i n TYR 562 N -1.86 0.54 -5.06 7.33 4.02 -0.63 -4.92 117.16 116.58 2h6i n TYR 562 Ca 0.02 -0.28 -0.32 0.00 -0.01 0.00 0.00 57.90 57.31 2h6i n TYR 562 Cb 0.16 -0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.34 2h6i n TYR 562 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 2h6i s LYS 563 N -1.40 2.45 -0.45 -0.72 2.20 -0.89 -4.44 119.74 116.49 2h6i s LYS 563 Ca 0.39 -0.79 0.08 0.00 -0.36 0.00 0.00 55.97 55.28 2h6i s LYS 563 Cb 0.22 -2.27 0.27 0.00 -1.51 0.00 0.00 37.83 34.54 2h6i s LYS 563 CO 0.31 0.55 0.62 1.19 -0.36 0.00 0.00 175.35 177.65 2h6i n PHE 564 N 2.51 0.77 0.00 4.03 3.01 -0.48 -5.00 117.46 122.30 2h6i n PHE 564 Ca -0.17 -3.74 0.00 0.00 1.01 0.00 0.00 57.45 54.55 2h6i n PHE 564 Cb 0.52 -0.41 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 2h6i n PHE 564 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2h6i n ASN 565 N 1.05 0.00 0.00 4.37 3.02 -1.26 -1.52 115.26 120.92 2h6i n ASN 565 Ca 0.24 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.93 2h6i n ASN 565 Cb 0.52 0.00 0.86 0.00 -0.61 0.00 0.00 39.78 40.54 2h6i n ASN 565 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2h6i n HIS 566 N 13.77 0.00 -3.45 3.10 -0.00 -1.26 -4.69 115.22 122.69 2h6i n HIS 566 Ca 0.00 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.79 2h6i n HIS 566 Cb 0.00 -0.01 -0.10 0.00 -0.12 0.00 0.00 29.99 29.77 2h6i n HIS 566 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 2h6i s LEU 567 N -2.01 4.14 -0.50 0.27 2.96 -0.58 -5.02 118.68 117.94 2h6i s LEU 567 Ca 0.43 0.06 0.04 0.00 -0.22 0.00 0.00 54.13 54.44 2h6i s LEU 567 Cb 0.20 -2.31 0.16 0.00 0.50 0.00 0.00 46.19 44.74 2h6i s LEU 567 CO 0.34 -0.18 0.36 -0.69 -1.32 0.00 0.00 176.35 174.85 2h6i s VAL 568 N 1.96 1.36 0.46 1.68 1.01 -1.26 -1.38 120.40 124.23 2h6i s VAL 568 Ca 0.12 -3.08 -0.22 0.00 0.00 0.00 0.00 61.98 58.80 2h6i s VAL 568 Cb -0.16 -1.92 -0.11 0.00 0.00 0.00 0.00 36.38 34.19 2h6i s VAL 568 CO 0.11 -1.07 0.71 -2.65 0.00 0.00 0.00 175.10 172.19 2h6i n PRO 569 N 2.81 0.81 -1.88 2.72 -0.02 -1.26 -0.87 135.00 137.30 2h6i n PRO 569 Ca 0.21 0.30 -0.41 0.00 -2.02 0.00 0.00 63.50 61.57 2h6i n PRO 569 Cb 0.40 -1.75 -0.01 0.00 -0.02 0.00 0.00 33.50 32.12 2h6i n PRO 569 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2h6i s ARG 570 N -1.90 4.18 0.38 -0.52 0.52 -1.26 -4.72 118.95 115.63 2h6i s ARG 570 Ca 0.65 2.47 -0.26 0.00 -0.52 0.00 0.00 55.73 58.08 2h6i s ARG 570 Cb -0.54 -3.02 -0.09 0.00 0.52 0.00 0.00 34.95 31.82 2h6i s ARG 570 CO 0.56 -0.48 1.15 -0.51 0.02 0.00 0.00 175.30 176.04 2h6i s LEU 571 N -1.43 4.23 -0.08 2.53 1.43 -1.26 -4.73 118.68 119.37 2h6i s LEU 571 Ca 0.55 2.31 0.01 0.00 -1.03 0.00 0.00 54.13 55.98 2h6i s LEU 571 Cb -0.45 -3.99 0.02 0.00 0.03 0.00 0.00 46.19 41.80 2h6i s LEU 571 CO 0.55 -0.59 -0.10 -0.69 0.23 0.00 0.00 176.35 175.75 2h6i s VAL 572 N -1.41 1.05 -0.12 -1.59 1.01 -1.26 -1.84 120.40 116.24 2h6i s VAL 572 Ca 0.55 -0.38 -0.28 0.00 0.00 0.00 0.00 61.98 61.88 2h6i s VAL 572 Cb -0.30 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 2h6i s VAL 572 CO 0.38 0.35 0.92 -0.22 0.00 0.00 0.00 175.10 176.53 2h6i s LEU 573 N 1.06 4.23 -1.55 3.92 2.96 -1.26 -4.94 118.68 123.09 2h6i s LEU 573 Ca -0.07 1.39 -0.11 0.00 -0.22 0.00 0.00 54.13 55.12 2h6i s LEU 573 Cb -0.15 -3.41 -0.03 0.00 0.50 0.00 0.00 46.19 43.10 2h6i s LEU 573 CO -0.01 -0.40 2.70 0.00 -1.32 0.00 0.00 176.35 177.32 2h6i n GLN 574 N 4.97 3.57 -0.30 1.98 1.13 -1.26 -4.83 117.38 122.65 2h6i n GLN 574 Ca 0.06 -2.45 0.11 0.00 -1.94 0.00 0.00 57.00 52.79 2h6i n GLN 574 Cb 0.49 -2.91 0.25 0.00 0.11 0.00 0.00 30.24 28.18 2h6i n GLN 574 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 2h6i h ARG 575 N 5.24 0.12 -0.35 -1.09 2.43 -1.97 -2.59 114.38 116.15 2h6i h ARG 575 Ca 0.77 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.89 2h6i h ARG 575 Cb 0.38 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2h6i h ARG 575 CO 1.78 0.08 0.04 0.93 -1.51 0.00 0.00 179.97 181.29 2h6i h GLU 576 N 0.12 0.60 -0.93 0.20 4.39 -1.99 0.18 114.58 117.14 2h6i h GLU 576 Ca 0.53 -0.17 0.01 0.00 0.34 0.00 0.00 59.36 60.06 2h6i h GLU 576 Cb 1.04 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.58 2h6i h GLU 576 CO -0.73 0.68 0.61 0.87 -1.16 0.00 0.00 179.01 179.28 2h6i h LYS 577 N 0.43 1.24 -0.18 2.33 1.57 -1.84 -1.14 116.57 118.97 2h6i h LYS 577 Ca 0.11 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2h6i h LYS 577 Cb 0.38 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2h6i h LYS 577 CO 0.01 0.83 -0.04 0.45 -0.57 0.00 0.00 179.45 180.13 2h6i h HIS 578 N 1.27 0.39 -0.69 -1.35 3.86 -1.34 -2.53 115.15 114.76 2h6i h HIS 578 Ca 0.34 -0.08 0.07 0.00 -1.16 0.00 0.00 60.37 59.53 2h6i h HIS 578 Cb -0.13 -0.10 -0.06 0.00 1.06 0.00 0.00 27.41 28.19 2h6i h HIS 578 CO -0.00 0.60 0.38 0.35 0.86 0.00 0.00 177.93 180.12 2h6i h PHE 579 N 0.07 0.70 -0.05 2.45 3.57 -0.24 -0.90 116.94 122.54 2h6i h PHE 579 Ca 0.05 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.46 2h6i h PHE 579 Cb 0.47 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2h6i h PHE 579 CO 0.05 0.32 -0.47 0.45 -2.23 0.00 0.00 178.31 176.43 2h6i h HIS 580 N 0.70 0.16 -0.00 0.41 3.86 -1.19 -0.37 115.15 118.71 2h6i h HIS 580 Ca 0.31 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.48 2h6i h HIS 580 Cb 0.22 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.65 2h6i h HIS 580 CO -0.08 0.58 -0.00 -0.92 0.86 0.00 0.00 177.93 178.37 2h6i h TYR 581 N 0.11 0.01 0.86 2.45 3.20 -0.99 -2.99 116.97 119.61 2h6i h TYR 581 Ca 0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2h6i h TYR 581 Cb 0.88 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.15 2h6i h TYR 581 CO 0.01 0.42 -0.48 -0.07 -1.64 0.00 0.00 178.16 176.40 2h6i h LEU 582 N -0.41 -1.18 -1.24 2.82 3.38 -1.11 -1.77 115.31 115.81 2h6i h LEU 582 Ca 0.00 0.06 0.35 0.00 0.09 0.00 0.00 57.88 58.37 2h6i h LEU 582 Cb 0.42 0.33 -0.13 0.00 0.09 0.00 0.00 40.66 41.37 2h6i h LEU 582 CO 0.00 -0.76 0.69 0.50 0.09 0.00 0.00 178.44 178.96 2h6i h LYS 583 N -1.24 0.25 -0.00 1.13 3.64 -1.16 0.22 116.57 119.41 2h6i h LYS 583 Ca -0.12 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2h6i h LYS 583 Cb 0.97 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 2h6i h LYS 583 CO 0.15 0.16 -0.00 -0.09 -2.27 0.00 0.00 179.45 177.40 2h6i h ARG 584 N 0.26 0.00 -0.12 1.90 9.65 -1.35 -3.25 114.38 121.47 2h6i h ARG 584 Ca 0.73 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.59 2h6i h ARG 584 Cb 1.95 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.52 2h6i h ARG 584 CO -0.46 0.60 0.01 0.78 2.80 0.00 0.00 179.97 183.70 2h6i h GLY 585 N -0.60 0.18 1.62 2.80 0.00 0.25 -1.51 103.07 105.80 2h6i h GLY 585 Ca -0.00 -0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.30 2h6i h GLY 585 CO 0.00 0.08 0.14 -2.00 0.00 0.00 0.00 176.54 174.76 2h6i h LEU 586 N 0.17 0.00 0.00 3.11 5.85 -1.04 -3.15 115.31 120.24 2h6i h LEU 586 Ca 0.04 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.53 2h6i h LEU 586 Cb 0.10 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2h6i h LEU 586 CO 0.00 0.00 -1.59 0.54 -0.34 0.00 0.00 178.44 177.05 2h6i n ARG 587 N -4.32 0.55 -4.14 1.25 5.12 -0.88 -5.05 116.66 109.20 2h6i n ARG 587 Ca 0.01 0.35 -0.16 0.00 -1.93 0.00 0.00 57.85 56.12 2h6i n ARG 587 Cb 0.27 -1.56 -0.12 0.00 -1.16 0.00 0.00 32.46 29.90 2h6i n ARG 587 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2h6i s GLN 588 N -2.54 0.73 0.00 5.56 0.74 -0.62 -5.15 119.66 118.37 2h6i s GLN 588 Ca -0.31 -0.91 0.01 0.00 0.05 0.00 0.00 55.36 54.20 2h6i s GLN 588 Cb 0.08 -0.63 -0.01 0.00 1.10 0.00 0.00 33.01 33.56 2h6i s GLN 588 CO 0.46 0.13 -0.02 -0.51 -0.55 0.00 0.00 175.29 174.80 2h6i s LEU 589 N -1.74 2.05 1.31 3.68 1.43 -1.26 -3.95 118.68 120.20 2h6i s LEU 589 Ca -0.04 -0.13 -0.21 0.00 -1.03 0.00 0.00 54.13 52.71 2h6i s LEU 589 Cb -0.09 -0.06 0.33 0.00 0.03 0.00 0.00 46.19 46.40 2h6i s LEU 589 CO 0.01 -0.04 1.03 0.42 0.23 0.00 0.00 176.35 178.01 2h6i s THR 590 N -0.33 1.39 -1.53 5.49 -4.23 -1.26 -4.88 115.64 110.29 2h6i s THR 590 Ca -0.03 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 60.70 2h6i s THR 590 Cb -0.03 -2.32 0.42 0.00 1.34 0.00 0.00 72.50 71.92 2h6i s THR 590 CO -0.00 0.00 1.70 -0.90 -0.54 0.00 0.00 174.62 174.88 2h6i n ASP 591 N -5.18 0.00 0.20 3.99 5.68 -1.26 -2.51 116.55 117.47 2h6i n ASP 591 Ca 0.14 -0.14 0.15 0.00 -0.50 0.00 0.00 54.79 54.43 2h6i n ASP 591 Cb 0.60 -0.23 0.62 0.00 -1.14 0.00 0.00 41.12 40.96 2h6i n ASP 591 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2h6i h ALA 592 N 3.09 1.00 -0.53 2.12 0.00 -2.06 -1.53 119.26 121.35 2h6i h ALA 592 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2h6i h ALA 592 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2h6i h ALA 592 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 2h6i n TYR 593 N -2.62 1.61 0.23 0.00 4.02 -1.04 -4.26 117.16 115.10 2h6i n TYR 593 Ca 0.01 -0.58 0.08 0.00 -0.01 0.00 0.00 57.90 57.39 2h6i n TYR 593 Cb 0.24 -0.37 0.55 0.00 -0.02 0.00 0.00 39.34 39.74 2h6i n TYR 593 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2h6i h GLU 594 N 3.51 0.00 0.00 -0.72 5.08 -1.49 -1.49 114.58 119.47 2h6i h GLU 594 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2h6i h GLU 594 Cb 1.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.84 2h6i h GLU 594 CO 0.34 0.21 0.00 0.00 -1.00 0.00 0.00 179.01 178.56 2h6i n LEU 596 N -1.25 2.48 0.32 0.00 4.77 -0.56 -4.71 117.00 118.04 2h6i n LEU 596 Ca 0.09 -2.96 0.21 0.00 -0.03 0.00 0.00 56.01 53.32 2h6i n LEU 596 Cb 0.14 -0.40 1.10 0.00 -2.33 0.00 0.00 43.42 41.93 2h6i n LEU 596 CO 0.14 0.69 1.14 -0.78 -1.33 0.00 0.00 177.39 177.24 2h6i h ASP 597 N 0.21 0.00 -0.56 -1.43 3.58 -1.49 0.42 116.42 117.16 2h6i h ASP 597 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2h6i h ASP 597 Cb 0.99 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.04 2h6i h ASP 597 CO 0.02 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.38 2h6i n ALA 598 N -2.06 3.29 -2.77 -0.78 0.00 -1.26 -4.23 120.51 112.69 2h6i n ALA 598 Ca -0.02 -1.79 -0.03 0.00 0.00 0.00 0.00 53.44 51.61 2h6i n ALA 598 Cb 0.11 -0.97 0.06 0.00 0.00 0.00 0.00 19.45 18.64 2h6i n ALA 598 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2h6i n SER 599 N 0.70 1.04 0.03 0.00 7.64 0.13 -3.93 113.62 119.24 2h6i n SER 599 Ca 0.25 -2.23 -0.19 0.00 1.01 0.00 0.00 58.87 57.72 2h6i n SER 599 Cb 0.97 -0.29 -0.12 0.00 -1.01 0.00 0.00 64.21 63.76 2h6i n SER 599 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2h6i h ARG 600 N 2.49 0.47 -0.17 1.43 3.08 -1.18 -2.13 114.38 118.38 2h6i h ARG 600 Ca -0.17 -0.56 0.05 0.00 0.07 0.00 0.00 59.98 59.37 2h6i h ARG 600 Cb 1.25 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.47 2h6i h ARG 600 CO 0.20 1.20 0.13 -1.35 -1.07 0.00 0.00 179.97 179.09 2h6i h PRO 601 N -0.02 0.00 -0.40 0.04 0.11 -1.83 0.14 132.00 130.05 2h6i h PRO 601 Ca -0.11 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.87 2h6i h PRO 601 Cb 1.51 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.61 2h6i h PRO 601 CO 0.15 0.00 -0.28 1.15 -0.21 0.00 0.00 178.00 178.81 2h6i h THR 602 N 0.00 1.27 -0.32 -1.15 2.02 -1.82 -1.28 112.91 111.63 2h6i h THR 602 Ca 0.08 -1.43 -0.08 0.00 0.77 0.00 0.00 66.41 65.74 2h6i h THR 602 Cb 0.34 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 2h6i h THR 602 CO -0.00 0.48 -0.15 -0.07 0.37 0.00 0.00 175.52 176.14 2h6i h LEU 603 N 0.72 0.55 0.71 2.58 3.38 -0.14 -1.00 115.31 122.12 2h6i h LEU 603 Ca 0.08 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2h6i h LEU 603 Cb 0.83 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2h6i h LEU 603 CO 0.07 0.73 -0.38 0.00 0.09 0.00 0.00 178.44 178.96 2h6i h TYR 605 N -1.00 0.03 -0.16 0.00 3.20 -1.07 -0.04 116.97 117.93 2h6i h TYR 605 Ca -0.09 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.84 2h6i h TYR 605 Cb 0.78 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 39.01 2h6i h TYR 605 CO -0.05 -0.01 -0.27 -1.49 -1.64 0.00 0.00 178.16 174.69 2h6i h TRP 606 N 0.10 -0.74 -0.38 -3.82 6.55 -1.17 -0.07 115.95 116.42 2h6i h TRP 606 Ca 0.11 0.04 -0.04 0.00 0.95 0.00 0.00 58.89 59.94 2h6i h TRP 606 Cb 0.12 0.35 -0.02 0.00 -0.86 0.00 0.00 29.16 28.76 2h6i h TRP 606 CO -0.17 -0.35 0.06 0.82 -1.05 0.00 0.00 178.44 177.75 2h6i h ILE 607 N -0.33 1.24 -0.36 1.49 2.04 -1.11 -1.90 117.51 118.58 2h6i h ILE 607 Ca 0.11 -0.85 -0.05 0.00 1.00 0.00 0.00 64.86 65.07 2h6i h ILE 607 Cb 0.49 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2h6i h ILE 607 CO -0.35 0.29 0.02 -0.07 0.00 0.00 0.00 178.15 178.04 2h6i h LEU 608 N 0.48 0.61 -1.09 1.44 3.38 -0.90 -1.82 115.31 117.41 2h6i h LEU 608 Ca 0.12 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 2h6i h LEU 608 Cb 0.36 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2h6i h LEU 608 CO 0.01 0.76 0.22 -0.74 0.09 0.00 0.00 178.44 178.77 2h6i h HIS 609 N 0.45 0.87 -0.37 1.13 2.76 -1.01 0.42 115.15 119.39 2h6i h HIS 609 Ca 0.10 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 2h6i h HIS 609 Cb 0.43 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.11 2h6i h HIS 609 CO 0.03 0.68 0.18 0.77 -1.30 0.00 0.00 177.93 178.29 2h6i h SER 610 N 0.85 0.49 -0.48 3.26 0.02 -1.14 0.28 113.55 116.83 2h6i h SER 610 Ca 0.20 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 2h6i h SER 610 Cb 0.19 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 2h6i h SER 610 CO -0.02 0.48 0.10 -0.07 -1.14 0.00 0.00 176.83 176.19 2h6i h LEU 611 N 0.47 0.74 0.17 5.07 3.38 -0.85 -0.84 115.31 123.45 2h6i h LEU 611 Ca 0.13 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2h6i h LEU 611 Cb 0.13 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2h6i h LEU 611 CO -0.02 0.79 -0.22 -0.08 0.09 0.00 0.00 178.44 179.01 2h6i h GLU 612 N 0.65 -0.42 -0.88 1.13 4.81 0.18 0.39 114.58 120.45 2h6i h GLU 612 Ca 0.15 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.50 2h6i h GLU 612 Cb 0.35 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.76 2h6i h GLU 612 CO 0.00 -0.28 0.53 -0.07 -0.73 0.00 0.00 179.01 178.46 2h6i h LEU 613 N -0.44 0.78 0.00 1.64 3.38 -0.29 0.14 115.31 120.52 2h6i h LEU 613 Ca 0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2h6i h LEU 613 Cb 0.43 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2h6i h LEU 613 CO -0.09 0.46 0.00 0.18 0.09 0.00 0.00 178.44 179.08 2h6i n LEU 614 N -4.68 0.00 -3.82 1.67 4.77 -0.33 -1.01 117.00 113.60 2h6i n LEU 614 Ca 0.14 0.02 -0.28 0.00 -0.03 0.00 0.00 56.01 55.86 2h6i n LEU 614 Cb 0.26 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.37 2h6i n LEU 614 CO 0.28 -0.00 0.11 -0.67 -1.33 0.00 0.00 177.39 175.78 2h6i n ASP 615 N -1.02 -4.51 -4.47 -1.43 2.03 0.48 -4.96 116.55 102.66 2h6i n ASP 615 Ca 0.18 -0.74 -0.40 0.00 0.52 0.00 0.00 54.79 54.35 2h6i n ASP 615 Cb 0.09 -4.13 -0.11 0.00 -0.72 0.00 0.00 41.12 36.25 2h6i n ASP 615 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2h6i s GLU 616 N -6.46 3.33 0.64 -0.67 0.41 -0.22 -5.03 118.70 110.70 2h6i s GLU 616 Ca 0.55 -0.74 -0.18 0.00 -0.41 0.00 0.00 54.97 54.19 2h6i s GLU 616 Cb -0.27 -3.69 -0.02 0.00 -1.78 0.00 0.00 34.13 28.37 2h6i s GLU 616 CO 0.81 -0.47 1.18 -0.35 -0.49 0.00 0.00 175.26 175.93 2h6i n PRO 617 N 5.04 1.03 -3.58 0.39 -0.04 -1.26 -4.49 135.00 132.08 2h6i n PRO 617 Ca -0.13 0.40 -0.40 0.00 -0.04 0.00 0.00 63.50 63.33 2h6i n PRO 617 Cb 0.49 -2.40 -0.11 0.00 -0.04 0.00 0.00 33.50 31.43 2h6i n PRO 617 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2h6i s ILE 618 N -1.43 4.90 0.26 0.52 -1.09 -1.26 -5.07 121.20 118.03 2h6i s ILE 618 Ca 0.81 -0.44 -0.31 0.00 -2.23 0.00 0.00 60.65 58.48 2h6i s ILE 618 Cb -0.39 -3.56 -0.13 0.00 -1.58 0.00 0.00 42.46 36.80 2h6i s ILE 618 CO 0.42 -0.04 1.51 -2.65 -1.23 0.00 0.00 174.94 172.95 2h6i n PRO 619 N 5.04 2.34 -0.37 2.79 -0.02 -1.26 -4.74 135.00 138.79 2h6i n PRO 619 Ca -0.13 0.84 0.29 0.00 -2.02 0.00 0.00 63.50 62.48 2h6i n PRO 619 Cb 0.49 -2.56 0.55 0.00 -0.02 0.00 0.00 33.50 31.96 2h6i n PRO 619 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2h6i h GLN 620 N 4.64 0.22 -0.20 -0.52 4.20 -1.99 0.13 115.11 121.59 2h6i h GLN 620 Ca -0.46 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.21 2h6i h GLN 620 Cb 1.25 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 2h6i h GLN 620 CO 0.79 0.14 -0.01 0.82 -0.67 0.00 0.00 178.83 179.90 2h6i h ILE 621 N 0.22 1.26 -0.42 2.54 1.08 -1.99 -2.01 117.51 118.20 2h6i h ILE 621 Ca 0.75 -0.89 -0.03 0.00 -0.39 0.00 0.00 64.86 64.30 2h6i h ILE 621 Cb 2.02 1.45 -0.02 0.00 -3.07 0.00 0.00 36.82 37.20 2h6i h ILE 621 CO -0.50 0.27 0.15 0.58 -0.69 0.00 0.00 178.15 177.96 2h6i h VAL 622 N 0.11 1.21 -0.62 1.67 2.07 -1.18 -1.33 116.25 118.19 2h6i h VAL 622 Ca 0.06 -0.68 0.07 0.00 0.82 0.00 0.00 66.70 66.97 2h6i h VAL 622 Cb 0.41 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 2h6i h VAL 622 CO 0.01 0.24 0.31 0.00 0.02 0.00 0.00 177.57 178.15 2h6i h ALA 623 N 0.99 0.82 -0.10 1.67 0.00 -1.06 -0.14 119.26 121.44 2h6i h ALA 623 Ca 0.14 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2h6i h ALA 623 Cb 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2h6i h ALA 623 CO -0.01 -0.06 -0.36 1.15 0.00 0.00 0.00 179.25 179.98 2h6i h THR 624 N 0.56 1.28 -0.33 0.00 2.02 -1.10 -1.09 112.91 114.25 2h6i h THR 624 Ca 0.29 -1.36 -0.14 0.00 0.77 0.00 0.00 66.41 65.97 2h6i h THR 624 Cb 0.24 1.60 -0.00 0.00 -1.74 0.00 0.00 68.15 68.25 2h6i h THR 624 CO -0.22 0.41 -0.33 0.44 0.37 0.00 0.00 175.52 176.19 2h6i h ASP 625 N 0.18 0.86 -0.77 4.18 3.45 -0.37 -2.09 116.42 121.86 2h6i h ASP 625 Ca 0.02 -0.47 -0.01 0.00 0.43 0.00 0.00 57.03 57.00 2h6i h ASP 625 Cb 0.72 -0.24 -0.04 0.00 -0.56 0.00 0.00 39.33 39.21 2h6i h ASP 625 CO 0.05 1.16 0.44 0.58 -1.57 0.00 0.00 179.24 179.90 2h6i h VAL 626 N 0.58 1.23 -0.20 -1.35 2.07 -0.74 -0.96 116.25 116.88 2h6i h VAL 626 Ca 0.05 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.06 2h6i h VAL 626 Cb 0.92 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 2h6i h VAL 626 CO 0.08 0.25 -0.01 0.00 0.02 0.00 0.00 177.57 177.91 2h6i h GLN 628 N 0.06 0.40 -0.33 0.00 4.20 -1.08 -0.92 115.11 117.44 2h6i h GLN 628 Ca 0.09 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.81 2h6i h GLN 628 Cb 0.12 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 2h6i h GLN 628 CO -0.17 0.33 0.06 0.35 -0.67 0.00 0.00 178.83 178.73 2h6i h PHE 629 N 0.36 0.10 0.00 2.96 3.57 -0.78 -0.02 116.94 123.12 2h6i h PHE 629 Ca 0.10 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 2h6i h PHE 629 Cb 0.04 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 2h6i h PHE 629 CO -0.04 0.01 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.85 2h6i h LEU 630 N 0.18 0.00 -0.38 0.59 3.38 -0.84 -1.28 115.31 116.95 2h6i h LEU 630 Ca 0.16 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.95 2h6i h LEU 630 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2h6i h LEU 630 CO -0.21 0.14 -0.54 -0.08 0.09 0.00 0.00 178.44 177.84 2h6i h GLU 631 N 0.00 0.77 0.00 1.13 4.81 0.37 -2.30 114.58 119.36 2h6i h GLU 631 Ca -0.00 -0.48 -0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2h6i h GLU 631 Cb 0.38 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 2h6i h GLU 631 CO 0.02 1.11 -0.00 -0.07 -0.73 0.00 0.00 179.01 179.33 2h6i h LEU 632 N 0.59 0.00 0.00 1.64 3.38 0.01 -2.44 115.31 118.49 2h6i h LEU 632 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2h6i h LEU 632 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2h6i h LEU 632 CO 0.11 0.00 -0.82 0.00 0.09 0.00 0.00 178.44 177.83 2h6i s GLN 634 N -3.16 4.41 0.39 0.00 0.74 -0.90 -1.48 119.66 119.66 2h6i s GLN 634 Ca 0.06 2.02 -0.12 0.00 0.05 0.00 0.00 55.36 57.37 2h6i s GLN 634 Cb 0.14 -3.20 -0.07 0.00 1.10 0.00 0.00 33.01 30.98 2h6i s GLN 634 CO 0.76 -0.21 0.77 0.45 -0.55 0.00 0.00 175.29 176.51 2h6i s SER 635 N 0.25 6.59 0.44 6.67 0.15 -0.31 -4.93 113.70 122.57 2h6i s SER 635 Ca 0.55 1.20 0.24 0.00 0.70 0.00 0.00 55.95 58.64 2h6i s SER 635 Cb -0.36 -2.35 0.89 0.00 -1.71 0.00 0.00 66.02 62.50 2h6i s SER 635 CO 0.38 -0.36 1.81 1.55 1.20 0.00 0.00 173.24 177.82 2h6i h PRO 636 N 1.48 0.00 -0.01 5.44 0.13 -1.95 -2.11 132.00 134.99 2h6i h PRO 636 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2h6i h PRO 636 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2h6i h PRO 636 CO 0.64 0.20 -0.02 -0.85 -0.23 0.00 0.00 178.00 177.74 2h6i n GLU 637 N -3.33 1.16 0.00 0.86 0.28 -1.26 -4.99 120.64 113.36 2h6i n GLU 637 Ca 0.00 -0.38 0.00 0.00 -0.16 0.00 0.00 57.16 56.63 2h6i n GLU 637 Cb 0.44 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.82 2h6i n GLU 637 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2h6i n GLY 638 N 1.12 2.44 3.60 -1.84 0.00 -0.79 -4.24 105.19 105.48 2h6i n GLY 638 Ca 0.20 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2h6i n GLY 638 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h6i n GLY 639 N 1.38 -2.26 3.17 -0.02 0.00 -1.26 -4.40 105.19 101.79 2h6i n GLY 639 Ca 0.00 -1.58 -0.21 0.00 0.00 0.00 0.00 46.02 44.23 2h6i n GLY 639 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2h6i s PHE 640 N -0.38 1.33 0.50 1.61 0.40 -1.26 -1.16 117.98 119.03 2h6i s PHE 640 Ca 0.00 -0.37 0.08 0.00 -0.60 0.00 0.00 56.93 56.04 2h6i s PHE 640 Cb 0.00 -0.79 0.08 0.00 0.51 0.00 0.00 43.02 42.83 2h6i s PHE 640 CO 0.00 0.05 0.69 0.41 0.70 0.00 0.00 175.22 177.07 2h6i n GLY 641 N 1.80 1.90 0.17 4.36 0.00 -0.55 -0.50 105.19 112.37 2h6i n GLY 641 Ca -0.18 -2.20 0.13 0.00 0.00 0.00 0.00 46.02 43.77 2h6i n GLY 641 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2h6i h GLY 642 N 0.06 0.00 -2.79 -0.02 0.00 -1.71 -3.43 103.07 95.18 2h6i h GLY 642 Ca -0.23 0.00 0.26 0.00 0.00 0.00 0.00 47.33 47.36 2h6i h GLY 642 CO 0.33 0.00 0.71 -0.32 0.00 0.00 0.00 176.54 177.26 2h6i s GLY 643 N -3.76 -0.35 0.19 4.60 0.00 -1.26 -1.29 107.32 105.44 2h6i s GLY 643 Ca 0.05 0.64 -0.32 0.00 0.00 0.00 0.00 44.72 45.09 2h6i s GLY 643 CO 0.49 0.14 1.24 -1.05 0.00 0.00 0.00 173.10 173.92 2h6i n PRO 644 N -0.43 1.41 -0.16 2.90 -0.02 -1.26 -1.19 135.00 136.25 2h6i n PRO 644 Ca -0.07 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2h6i n PRO 644 Cb 0.62 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 2h6i n PRO 644 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h6i n GLY 645 N 2.09 2.65 3.79 -1.23 0.00 -1.26 -5.02 105.19 106.22 2h6i n GLY 645 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 2h6i n GLY 645 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2h6i s GLN 646 N -0.01 4.46 0.82 1.61 -0.21 -0.33 -5.04 119.66 120.95 2h6i s GLN 646 Ca 0.00 1.23 -0.13 0.00 0.02 0.00 0.00 55.36 56.48 2h6i s GLN 646 Cb 0.00 -2.64 0.08 0.00 1.00 0.00 0.00 33.01 31.45 2h6i s GLN 646 CO 0.00 0.21 1.15 0.66 -2.12 0.00 0.00 175.29 175.18 2h6i n TYR 647 N 0.25 1.08 -2.39 0.91 0.53 -1.26 -4.29 117.16 111.99 2h6i n TYR 647 Ca 0.03 0.40 -0.34 0.00 -1.02 0.00 0.00 57.90 56.97 2h6i n TYR 647 Cb 0.51 -2.08 -0.02 0.00 -1.03 0.00 0.00 39.34 36.72 2h6i n TYR 647 CO 0.00 0.00 0.00 -1.25 -1.02 0.00 0.00 176.86 174.59 2h6i s PRO 648 N -4.08 3.61 -0.15 -0.72 0.04 -1.26 -3.95 135.00 128.49 2h6i s PRO 648 Ca 0.72 1.40 -0.13 0.00 0.04 0.00 0.00 61.00 63.04 2h6i s PRO 648 Cb -0.29 -2.06 0.04 0.00 0.04 0.00 0.00 34.50 32.23 2h6i s PRO 648 CO 0.52 -0.60 0.39 -1.58 0.04 0.00 0.00 177.00 175.77 2h6i s HIS 649 N -2.00 -0.45 0.52 0.56 2.46 0.35 -4.57 115.29 112.17 2h6i s HIS 649 Ca 0.68 1.07 0.16 0.00 0.47 0.00 0.00 55.06 57.44 2h6i s HIS 649 Cb -0.18 0.16 1.28 0.00 -0.13 0.00 0.00 32.58 33.70 2h6i s HIS 649 CO 0.24 -0.22 2.15 -0.07 -2.47 0.00 0.00 174.74 174.37 2h6i h LEU 650 N 5.76 0.00 0.60 8.88 3.38 -1.38 0.62 115.31 133.17 2h6i h LEU 650 Ca -0.28 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 2h6i h LEU 650 Cb 1.18 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.94 2h6i h LEU 650 CO 0.27 0.00 -0.29 0.00 0.09 0.00 0.00 178.44 178.51 2h6i h ALA 651 N 2.00 -1.18 0.00 1.53 0.00 -1.92 0.24 119.26 119.93 2h6i h ALA 651 Ca 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2h6i h ALA 651 Cb 0.02 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2h6i h ALA 651 CO -0.00 -1.12 -0.18 -1.00 0.00 0.00 0.00 179.25 176.96 2h6i h PRO 652 N -0.82 0.00 -0.27 0.00 0.13 -1.79 -1.88 132.00 127.36 2h6i h PRO 652 Ca -0.08 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 2h6i h PRO 652 Cb 0.61 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 2h6i h PRO 652 CO 0.13 0.18 0.07 1.15 -0.23 0.00 0.00 178.00 179.30 2h6i h THR 653 N 0.00 1.21 -0.13 1.56 2.02 -0.64 0.23 112.91 117.16 2h6i h THR 653 Ca -0.00 -0.69 0.02 0.00 0.77 0.00 0.00 66.41 66.51 2h6i h THR 653 Cb 0.35 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 2h6i h THR 653 CO 0.02 0.23 -0.02 0.22 0.37 0.00 0.00 175.52 176.34 2h6i h TYR 654 N 0.27 -0.05 -0.41 3.16 3.20 -0.03 -1.94 116.97 121.17 2h6i h TYR 654 Ca 0.09 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.98 2h6i h TYR 654 Cb 0.28 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 2h6i h TYR 654 CO 0.01 -0.04 0.26 0.00 -1.64 0.00 0.00 178.16 176.75 2h6i h ALA 655 N 1.12 0.52 -0.57 1.82 0.00 -1.13 -2.33 119.26 118.69 2h6i h ALA 655 Ca 0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2h6i h ALA 655 Cb 0.09 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2h6i h ALA 655 CO -0.12 -0.05 0.21 0.00 0.00 0.00 0.00 179.25 179.29 2h6i h ALA 656 N 1.16 1.30 -0.11 0.00 0.00 -0.28 0.62 119.26 121.95 2h6i h ALA 656 Ca 0.16 -0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 2h6i h ALA 656 Cb -0.03 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.54 2h6i h ALA 656 CO -0.05 0.51 -0.83 0.28 0.00 0.00 0.00 179.25 179.17 2h6i h VAL 657 N 0.82 1.28 -0.66 0.00 2.07 -1.19 -2.57 116.25 116.00 2h6i h VAL 657 Ca 0.19 -2.03 -0.08 0.00 0.82 0.00 0.00 66.70 65.60 2h6i h VAL 657 Cb 0.19 2.10 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 2h6i h VAL 657 CO -0.02 0.64 0.08 0.78 0.02 0.00 0.00 177.57 179.07 2h6i h ASN 658 N 0.47 1.07 -0.63 0.57 4.21 -1.15 -0.94 115.58 119.18 2h6i h ASN 658 Ca -0.07 -0.27 -0.03 0.00 1.21 0.00 0.00 56.30 57.14 2h6i h ASN 658 Cb 1.47 -0.28 -0.03 0.00 -1.12 0.00 0.00 38.32 38.35 2h6i h ASN 658 CO 0.17 1.07 0.27 0.00 -1.29 0.00 0.00 177.43 177.65 2h6i h ALA 659 N 1.05 0.81 -0.12 -0.83 0.00 -0.90 -0.57 119.26 118.69 2h6i h ALA 659 Ca 0.20 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2h6i h ALA 659 Cb 0.48 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2h6i h ALA 659 CO 0.02 0.40 -0.29 -0.07 0.00 0.00 0.00 179.25 179.32 2h6i h LEU 660 N 0.87 0.22 -0.01 0.00 3.38 -1.15 -2.08 115.31 116.54 2h6i h LEU 660 Ca 0.21 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 2h6i h LEU 660 Cb 0.17 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2h6i h LEU 660 CO -0.02 0.51 -0.69 0.00 0.09 0.00 0.00 178.44 178.33 2h6i h ILE 662 N 0.00 1.28 -0.49 0.00 2.04 -0.82 -2.87 117.51 116.65 2h6i h ILE 662 Ca -0.01 -1.34 -0.08 0.00 1.00 0.00 0.00 64.86 64.43 2h6i h ILE 662 Cb 1.53 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.86 2h6i h ILE 662 CO 0.09 0.45 -0.03 0.40 0.00 0.00 0.00 178.15 179.06 2h6i h ILE 663 N 0.67 1.25 -0.79 -0.67 2.04 -1.37 -3.47 117.51 115.17 2h6i h ILE 663 Ca 0.09 -1.08 -0.24 0.00 1.00 0.00 0.00 64.86 64.63 2h6i h ILE 663 Cb 0.76 0.91 -0.10 0.00 -0.74 0.00 0.00 36.82 37.65 2h6i h ILE 663 CO 0.06 0.38 -0.22 0.61 0.00 0.00 0.00 178.15 178.98 2h6i n GLY 664 N -0.54 1.14 3.91 5.37 0.00 -0.70 -4.99 105.19 109.37 2h6i n GLY 664 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 2h6i n GLY 664 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2h6i s THR 665 N -1.96 5.01 0.48 2.61 -4.23 -1.26 -4.94 115.64 111.36 2h6i s THR 665 Ca 0.00 -0.03 0.18 0.00 -1.18 0.00 0.00 61.69 60.66 2h6i s THR 665 Cb 0.00 -3.80 0.24 0.00 1.34 0.00 0.00 72.50 70.28 2h6i s THR 665 CO 0.00 -0.51 2.08 -0.33 -0.54 0.00 0.00 174.62 175.32 2h6i h GLU 666 N 1.09 0.00 -0.11 3.99 5.08 -1.97 -0.06 114.58 122.61 2h6i h GLU 666 Ca -0.48 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2h6i h GLU 666 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2h6i h GLU 666 CO 0.64 0.10 0.06 1.49 -1.00 0.00 0.00 179.01 180.30 2h6i h GLU 667 N 0.00 0.15 -0.18 2.33 4.81 -1.99 -0.76 114.58 118.94 2h6i h GLU 667 Ca -0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2h6i h GLU 667 Cb 0.19 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2h6i h GLU 667 CO 0.01 0.16 0.10 0.00 -0.73 0.00 0.00 179.01 178.55 2h6i h ALA 668 N 0.98 0.23 -0.38 2.92 0.00 -1.52 -3.03 119.26 118.46 2h6i h ALA 668 Ca 0.04 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2h6i h ALA 668 Cb 0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2h6i h ALA 668 CO -0.01 -0.25 0.18 1.88 0.00 0.00 0.00 179.25 181.05 2h6i h TYR 669 N 0.19 0.32 0.00 0.00 0.99 -0.93 -2.81 116.97 114.74 2h6i h TYR 669 Ca 0.06 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.81 2h6i h TYR 669 Cb 0.05 -0.09 0.00 0.00 1.00 0.00 0.00 36.73 37.69 2h6i h TYR 669 CO -0.04 0.16 0.00 -0.25 -0.00 0.00 0.00 178.16 178.03 2h6i n ASP 670 N -4.95 0.41 0.19 3.88 8.00 -0.30 -2.76 116.55 121.01 2h6i n ASP 670 Ca 0.01 0.60 0.03 0.00 0.71 0.00 0.00 54.79 56.14 2h6i n ASP 670 Cb 0.10 -0.68 0.42 0.00 -0.02 0.00 0.00 41.12 40.94 2h6i n ASP 670 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2h6i h ILE 671 N 0.00 1.20 -2.92 0.53 2.04 -1.38 -3.42 117.51 113.56 2h6i h ILE 671 Ca 0.00 -0.92 -0.55 0.00 1.00 0.00 0.00 64.86 64.39 2h6i h ILE 671 Cb 0.34 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 2h6i h ILE 671 CO 0.00 0.27 0.84 -0.63 0.00 0.00 0.00 178.15 178.63 2h6i s ILE 672 N -4.47 3.92 -0.83 -0.67 1.01 -1.11 -4.94 121.20 114.11 2h6i s ILE 672 Ca -0.04 1.24 -0.22 0.00 0.00 0.00 0.00 60.65 61.64 2h6i s ILE 672 Cb 0.15 -3.80 0.08 0.00 0.01 0.00 0.00 42.46 38.90 2h6i s ILE 672 CO 0.72 -0.03 1.16 0.21 0.00 0.00 0.00 174.94 176.99 2h6i s ASN 673 N 1.96 6.39 0.21 3.58 3.84 -1.26 -4.88 114.94 124.79 2h6i s ASN 673 Ca 0.61 -1.38 -0.08 0.00 0.21 0.00 0.00 52.86 52.23 2h6i s ASN 673 Cb -0.28 -2.46 0.16 0.00 -0.55 0.00 0.00 41.25 38.12 2h6i s ASN 673 CO 0.24 -1.37 1.79 0.03 -2.79 0.00 0.00 177.10 174.99 2h6i h ARG 674 N 9.42 1.19 -0.27 0.43 3.08 -1.94 -1.62 114.38 124.67 2h6i h ARG 674 Ca -0.04 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 59.82 2h6i h ARG 674 Cb 1.04 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 2h6i h ARG 674 CO 1.22 0.95 0.16 0.93 -1.07 0.00 0.00 179.97 182.15 2h6i h GLU 675 N 1.16 0.32 -0.04 0.04 3.07 -1.96 -1.81 114.58 115.34 2h6i h GLU 675 Ca 0.27 -0.02 -0.14 0.00 -0.50 0.00 0.00 59.36 58.97 2h6i h GLU 675 Cb 0.19 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 2h6i h GLU 675 CO -0.03 0.21 -0.60 0.87 -1.40 0.00 0.00 179.01 178.06 2h6i h LYS 676 N 0.33 0.15 -0.82 2.33 1.79 -1.89 -2.88 116.57 115.58 2h6i h LYS 676 Ca 0.10 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2h6i h LYS 676 Cb -0.01 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.62 2h6i h LYS 676 CO -0.04 0.70 0.51 1.25 -1.08 0.00 0.00 179.45 180.79 2h6i h LEU 677 N 0.11 0.96 -0.46 2.94 5.85 -0.91 0.16 115.31 123.96 2h6i h LEU 677 Ca -0.01 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 2h6i h LEU 677 Cb 1.08 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 2h6i h LEU 677 CO 0.09 0.73 -0.11 0.25 -0.34 0.00 0.00 178.44 179.05 2h6i h LEU 678 N 1.12 0.89 -1.00 2.25 5.85 -1.26 -1.70 115.31 121.46 2h6i h LEU 678 Ca 0.30 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 2h6i h LEU 678 Cb -0.08 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.67 2h6i h LEU 678 CO -0.06 1.05 0.44 1.56 -0.34 0.00 0.00 178.44 181.09 2h6i h GLN 679 N 0.73 1.15 -0.47 1.25 4.20 -1.16 -1.34 115.11 119.45 2h6i h GLN 679 Ca 0.12 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 2h6i h GLN 679 Cb 0.66 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 2h6i h GLN 679 CO 0.05 0.84 0.12 -0.92 -0.67 0.00 0.00 178.83 178.25 2h6i h TYR 680 N 1.15 0.80 -0.67 2.96 3.20 -0.49 -1.12 116.97 122.79 2h6i h TYR 680 Ca 0.29 -0.09 0.01 0.00 3.14 0.00 0.00 58.73 62.07 2h6i h TYR 680 Cb 0.04 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.05 2h6i h TYR 680 CO 0.01 0.72 0.44 -0.07 -1.64 0.00 0.00 178.16 177.62 2h6i h LEU 681 N 0.64 0.77 -1.38 2.82 3.38 -0.79 -1.99 115.31 118.76 2h6i h LEU 681 Ca 0.15 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.10 2h6i h LEU 681 Cb 0.32 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2h6i h LEU 681 CO 0.00 0.56 0.42 1.88 0.09 0.00 0.00 178.44 181.39 2h6i h TYR 682 N 0.91 0.79 0.00 1.13 -1.99 -0.65 -1.80 116.97 115.36 2h6i h TYR 682 Ca 0.25 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.99 2h6i h TYR 682 Cb -0.10 -0.27 0.00 0.00 2.00 0.00 0.00 36.73 38.36 2h6i h TYR 682 CO -0.03 0.50 0.00 -1.13 -0.00 0.00 0.00 178.16 177.50 2h6i n SER 683 N -4.44 0.00 -0.00 3.88 3.41 -0.48 -2.53 113.62 113.46 2h6i n SER 683 Ca 0.06 -0.26 0.03 0.00 -0.26 0.00 0.00 58.87 58.45 2h6i n SER 683 Cb 0.04 -0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 63.79 2h6i n SER 683 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2h6i n LEU 684 N -1.17 0.31 -4.71 1.04 4.77 -0.70 -4.91 117.00 111.64 2h6i n LEU 684 Ca 0.12 -0.50 -0.42 0.00 -0.03 0.00 0.00 56.01 55.17 2h6i n LEU 684 Cb 0.12 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 2h6i n LEU 684 CO 0.13 0.08 0.94 -0.75 -1.33 0.00 0.00 177.39 176.46 2h6i s LYS 685 N -1.60 4.39 0.26 3.23 2.47 -1.05 -1.28 119.74 126.17 2h6i s LYS 685 Ca 0.02 1.84 0.06 0.00 -1.56 0.00 0.00 55.97 56.33 2h6i s LYS 685 Cb 0.05 -3.35 -0.03 0.00 -1.46 0.00 0.00 37.83 33.04 2h6i s LYS 685 CO 0.26 -0.33 0.36 -0.65 0.16 0.00 0.00 175.35 175.16 2h6i s GLN 686 N 1.23 3.29 0.43 4.03 -1.52 -0.15 -4.99 119.66 121.99 2h6i s GLN 686 Ca 0.60 -0.86 0.22 0.00 -1.95 0.00 0.00 55.36 53.37 2h6i s GLN 686 Cb -0.31 -2.82 0.91 0.00 -0.22 0.00 0.00 33.01 30.57 2h6i s GLN 686 CO 0.29 0.34 1.83 -1.00 -0.25 0.00 0.00 175.29 176.50 2h6i h PRO 687 N 1.15 0.00 -0.19 2.91 0.13 -1.96 -2.93 132.00 131.11 2h6i h PRO 687 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2h6i h PRO 687 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2h6i h PRO 687 CO 0.59 0.27 0.00 -0.40 -0.23 0.00 0.00 178.00 178.23 2h6i n ASP 688 N -3.53 0.59 0.00 1.44 3.85 -1.26 -4.86 116.55 112.77 2h6i n ASP 688 Ca -0.00 -2.01 0.00 0.00 -0.71 0.00 0.00 54.79 52.06 2h6i n ASP 688 Cb 0.42 -0.12 0.00 0.00 -1.35 0.00 0.00 41.12 40.08 2h6i n ASP 688 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2h6i n GLY 689 N 0.56 2.76 3.95 6.12 0.00 -1.11 -4.56 105.19 112.90 2h6i n GLY 689 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 2h6i n GLY 689 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2h6i s SER 690 N -1.30 3.97 0.02 1.61 1.04 -1.26 -3.63 113.70 114.15 2h6i s SER 690 Ca 0.00 0.17 0.04 0.00 0.48 0.00 0.00 55.95 56.64 2h6i s SER 690 Cb 0.00 -0.49 -0.01 0.00 0.10 0.00 0.00 66.02 65.62 2h6i s SER 690 CO 0.00 -2.16 -0.11 -0.36 0.98 0.00 0.00 173.24 171.59 2h6i s PHE 691 N -3.50 0.97 0.53 5.02 0.40 -1.26 -0.97 117.98 119.16 2h6i s PHE 691 Ca 0.68 -0.27 -0.17 0.00 -0.60 0.00 0.00 56.93 56.57 2h6i s PHE 691 Cb -0.06 -0.60 -0.07 0.00 0.51 0.00 0.00 43.02 42.80 2h6i s PHE 691 CO 0.48 -0.00 1.01 -0.51 0.70 0.00 0.00 175.22 176.89 2h6i s LEU 692 N -0.73 3.61 0.24 -0.37 1.43 -0.41 -4.27 118.68 118.18 2h6i s LEU 692 Ca 0.01 1.65 0.10 0.00 -1.03 0.00 0.00 54.13 54.87 2h6i s LEU 692 Cb -0.06 -4.52 0.24 0.00 0.03 0.00 0.00 46.19 41.89 2h6i s LEU 692 CO 0.00 -0.74 1.54 0.24 0.23 0.00 0.00 176.35 177.62 2h6i h MET 693 N 0.84 0.00 -2.45 1.70 2.86 -1.36 -3.47 114.93 113.06 2h6i h MET 693 Ca -0.47 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.22 2h6i h MET 693 Cb 1.20 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.70 2h6i h MET 693 CO 0.60 0.69 0.37 -3.38 1.06 0.00 0.00 176.91 176.26 2h6i s HIS 694 N -3.42 -0.44 -0.06 -0.22 0.00 -1.26 -1.09 115.29 108.80 2h6i s HIS 694 Ca -0.01 0.37 -0.39 0.00 -3.00 0.00 0.00 55.06 52.03 2h6i s HIS 694 Cb 0.12 0.53 -0.17 0.00 -4.00 0.00 0.00 32.58 29.06 2h6i s HIS 694 CO 0.77 -0.64 1.44 0.28 -1.00 0.00 0.00 174.74 175.59 2h6i n VAL 695 N -0.11 0.09 -1.12 -5.38 0.31 -1.26 0.13 118.33 110.98 2h6i n VAL 695 Ca -0.13 -0.02 -0.04 0.00 -0.01 0.00 0.00 64.34 64.15 2h6i n VAL 695 Cb 0.62 -0.83 -0.02 0.00 -0.91 0.00 0.00 33.84 32.70 2h6i n VAL 695 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2h6i n GLY 696 N 2.96 0.63 1.21 2.92 0.00 -1.26 -4.99 105.19 106.65 2h6i n GLY 696 Ca 0.21 -0.21 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 2h6i n GLY 696 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h6i n GLY 697 N -1.23 1.34 3.85 -0.02 0.00 0.35 -5.10 105.19 104.38 2h6i n GLY 697 Ca -0.04 -2.07 -0.32 0.00 0.00 0.00 0.00 46.02 43.59 2h6i n GLY 697 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2h6i s GLU 698 N -3.02 3.83 -0.08 1.61 1.03 -1.26 -4.66 118.70 116.15 2h6i s GLU 698 Ca 0.20 0.85 0.04 0.00 0.03 0.00 0.00 54.97 56.08 2h6i s GLU 698 Cb -0.01 -2.14 -0.01 0.00 -0.80 0.00 0.00 34.13 31.16 2h6i s GLU 698 CO 0.13 -0.34 -0.20 0.08 -1.33 0.00 0.00 175.26 173.60 2h6i s VAL 699 N -2.77 2.51 0.02 1.83 1.01 -1.26 -1.05 120.40 120.68 2h6i s VAL 699 Ca 0.57 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 2h6i s VAL 699 Cb -0.10 -1.97 0.10 0.00 0.00 0.00 0.00 36.38 34.41 2h6i s VAL 699 CO 0.38 0.56 1.17 1.51 0.00 0.00 0.00 175.10 178.72 2h6i s ASP 700 N -0.04 -0.11 0.65 3.32 1.47 -1.26 -4.90 116.67 115.80 2h6i s ASP 700 Ca -0.05 -0.20 0.30 0.00 1.18 0.00 0.00 52.55 53.77 2h6i s ASP 700 Cb -0.14 0.27 1.63 0.00 -0.34 0.00 0.00 42.92 44.34 2h6i s ASP 700 CO 0.05 -0.49 1.94 1.62 0.68 0.00 0.00 175.17 178.96 2h6i h VAL 701 N 2.00 0.08 -0.68 2.11 3.04 -1.29 -2.17 116.25 119.34 2h6i h VAL 701 Ca -0.27 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.50 2h6i h VAL 701 Cb 1.21 0.68 -0.06 0.00 -2.01 0.00 0.00 31.29 31.11 2h6i h VAL 701 CO 0.27 0.00 0.36 0.03 -1.01 0.00 0.00 177.57 177.22 2h6i h ARG 702 N 0.00 0.61 -0.44 4.17 3.08 -1.90 -2.57 114.38 117.32 2h6i h ARG 702 Ca 0.04 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.09 2h6i h ARG 702 Cb 0.71 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 2h6i h ARG 702 CO -0.00 0.40 0.29 0.66 -1.07 0.00 0.00 179.97 180.26 2h6i h SER 703 N 0.63 0.39 -0.24 7.04 4.64 -1.68 0.23 113.55 124.55 2h6i h SER 703 Ca 0.32 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.46 2h6i h SER 703 Cb 0.28 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2h6i h SER 703 CO -0.23 0.27 -0.55 0.00 -0.87 0.00 0.00 176.83 175.45 2h6i h ALA 704 N 1.75 0.50 -0.21 5.18 0.00 -1.62 -2.10 119.26 122.76 2h6i h ALA 704 Ca 0.18 -0.52 -0.19 0.00 0.00 0.00 0.00 54.91 54.39 2h6i h ALA 704 Cb 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2h6i h ALA 704 CO -0.04 0.68 -0.62 -0.92 0.00 0.00 0.00 179.25 178.35 2h6i h TYR 705 N 0.64 0.93 0.19 0.00 3.20 -1.10 -1.67 116.97 119.15 2h6i h TYR 705 Ca 0.01 -0.35 -0.01 0.00 3.14 0.00 0.00 58.73 61.52 2h6i h TYR 705 Cb 1.15 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.26 2h6i h TYR 705 CO 0.07 1.15 -0.09 0.00 -1.64 0.00 0.00 178.16 177.65 2h6i h ALA 707 N 0.45 -0.72 -0.97 0.00 0.00 -1.38 -1.70 119.26 114.93 2h6i h ALA 707 Ca -0.03 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2h6i h ALA 707 Cb 0.27 0.72 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 2h6i h ALA 707 CO 0.04 -0.98 0.65 0.00 0.00 0.00 0.00 179.25 178.96 2h6i h ALA 708 N -0.13 1.24 0.72 0.00 0.00 -1.33 0.08 119.26 119.84 2h6i h ALA 708 Ca 0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2h6i h ALA 708 Cb 0.67 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2h6i h ALA 708 CO -0.27 0.62 -0.48 1.03 0.00 0.00 0.00 179.25 180.14 2h6i h SER 709 N 1.31 -1.22 -0.56 0.00 0.87 -0.78 -1.07 113.55 112.09 2h6i h SER 709 Ca 0.36 0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.90 2h6i h SER 709 Cb -0.14 0.37 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 2h6i h SER 709 CO -0.08 -0.72 -0.02 -0.37 -0.53 0.00 0.00 176.83 175.11 2h6i h VAL 710 N -1.14 1.27 -0.27 2.23 -1.51 -1.28 -2.40 116.25 113.15 2h6i h VAL 710 Ca -0.09 -1.16 0.01 0.00 -1.23 0.00 0.00 66.70 64.23 2h6i h VAL 710 Cb 0.92 0.88 -0.02 0.00 -2.13 0.00 0.00 31.29 30.95 2h6i h VAL 710 CO 0.07 0.41 0.15 0.00 -1.23 0.00 0.00 177.57 176.97 2h6i h ALA 711 N 0.96 0.33 -0.34 5.19 0.00 -0.90 -2.06 119.26 122.43 2h6i h ALA 711 Ca 0.16 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 2h6i h ALA 711 Cb 0.57 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2h6i h ALA 711 CO 0.03 -0.24 -0.45 0.66 0.00 0.00 0.00 179.25 179.25 2h6i h SER 712 N 0.30 0.98 0.02 0.00 4.64 -1.21 -0.85 113.55 117.43 2h6i h SER 712 Ca 0.11 -0.48 -0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2h6i h SER 712 Cb 0.01 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 61.82 2h6i h SER 712 CO -0.06 1.28 -0.01 -0.07 -0.87 0.00 0.00 176.83 177.10 2h6i h LEU 713 N 0.72 -0.02 -0.10 5.97 3.38 -1.33 -2.90 115.31 121.03 2h6i h LEU 713 Ca 0.04 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2h6i h LEU 713 Cb 1.05 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2h6i h LEU 713 CO 0.11 0.10 0.00 0.35 0.09 0.00 0.00 178.44 179.09 2h6i n THR 714 N -5.05 0.01 -3.38 0.22 -2.24 -0.79 -4.14 114.28 98.92 2h6i n THR 714 Ca -0.08 -0.03 -0.20 0.00 -2.27 0.00 0.00 64.05 61.48 2h6i n THR 714 Cb 0.09 -0.30 0.06 0.00 -2.10 0.00 0.00 70.33 68.09 2h6i n THR 714 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2h6i n ASN 715 N -0.77 -6.20 -0.41 3.42 5.15 -0.88 -4.82 115.26 110.75 2h6i n ASN 715 Ca 0.18 -0.80 0.05 0.00 -0.60 0.00 0.00 54.58 53.41 2h6i n ASN 715 Cb 0.11 -4.68 0.08 0.00 -0.53 0.00 0.00 39.78 34.75 2h6i n ASN 715 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 2h6i n ILE 716 N -3.52 1.02 -2.83 -1.44 -5.35 -0.38 -4.34 119.36 102.52 2h6i n ILE 716 Ca -0.08 -1.37 -0.42 0.00 -0.27 0.00 0.00 62.75 60.62 2h6i n ILE 716 Cb 0.61 0.15 -0.04 0.00 -1.74 0.00 0.00 39.64 38.63 2h6i n ILE 716 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2h6i s ILE 717 N -1.54 4.85 0.25 7.28 1.01 -1.25 -4.89 121.20 126.90 2h6i s ILE 717 Ca 0.20 1.76 0.07 0.00 0.00 0.00 0.00 60.65 62.68 2h6i s ILE 717 Cb 0.19 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 2h6i s ILE 717 CO -0.01 0.01 0.20 0.42 0.00 0.00 0.00 174.94 175.56 2h6i s THR 718 N 2.15 4.46 0.45 2.92 -4.23 -1.26 -5.02 115.64 115.10 2h6i s THR 718 Ca 0.41 -1.40 0.12 0.00 -1.18 0.00 0.00 61.69 59.64 2h6i s THR 718 Cb -0.17 -3.41 0.29 0.00 1.34 0.00 0.00 72.50 70.55 2h6i s THR 718 CO 0.14 -0.35 2.07 1.55 -0.54 0.00 0.00 174.62 177.48 2h6i h PRO 719 N 1.49 0.33 0.00 3.99 0.13 -2.02 -2.95 132.00 132.96 2h6i h PRO 719 Ca -0.49 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.58 2h6i h PRO 719 Cb 1.24 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2h6i h PRO 719 CO 0.61 0.22 -1.12 -0.40 -0.23 0.00 0.00 178.00 177.07 2h6i n ASP 720 N -4.49 0.84 -0.25 1.44 5.75 -1.26 -4.24 116.55 114.34 2h6i n ASP 720 Ca 0.03 0.33 0.00 0.00 -0.01 0.00 0.00 54.79 55.15 2h6i n ASP 720 Cb 0.16 0.41 0.07 0.00 -1.03 0.00 0.00 41.12 40.73 2h6i n ASP 720 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 2h6i h LEU 721 N 0.00 -0.75 -3.73 -2.12 5.85 -1.93 -1.45 115.31 111.18 2h6i h LEU 721 Ca -0.04 0.22 -0.31 0.00 0.84 0.00 0.00 57.88 58.60 2h6i h LEU 721 Cb 1.14 0.47 -0.18 0.00 0.37 0.00 0.00 40.66 42.46 2h6i h LEU 721 CO 0.01 -0.25 0.33 0.49 -0.34 0.00 0.00 178.44 178.68 2h6i n PHE 722 N -5.48 2.33 -1.98 1.25 3.01 -1.26 -4.96 117.46 110.37 2h6i n PHE 722 Ca 0.09 -1.49 -0.42 0.00 1.01 0.00 0.00 57.45 56.64 2h6i n PHE 722 Cb 0.37 -0.72 -0.03 0.00 -0.01 0.00 0.00 39.48 39.09 2h6i n PHE 722 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2h6i s GLU 723 N -3.14 4.22 0.00 -1.08 2.12 -0.55 -2.21 118.70 118.06 2h6i s GLU 723 Ca 0.53 2.28 0.00 0.00 0.36 0.00 0.00 54.97 58.14 2h6i s GLU 723 Cb 0.44 -3.43 0.00 0.00 0.26 0.00 0.00 34.13 31.40 2h6i s GLU 723 CO 0.10 -0.65 0.00 0.41 -0.54 0.00 0.00 175.26 174.57 2h6i n GLY 724 N 3.84 1.14 0.14 -1.50 0.00 -1.26 -4.29 105.19 103.26 2h6i n GLY 724 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 2h6i n GLY 724 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2h6i h THR 725 N 0.00 1.38 -0.79 2.61 2.02 -1.51 -2.45 112.91 114.17 2h6i h THR 725 Ca 0.00 -1.50 0.01 0.00 0.77 0.00 0.00 66.41 65.70 2h6i h THR 725 Cb 0.00 2.05 -0.04 0.00 -1.74 0.00 0.00 68.15 68.42 2h6i h THR 725 CO 0.00 0.44 0.52 0.00 0.37 0.00 0.00 175.52 176.85 2h6i h ALA 726 N 0.54 1.00 -0.74 6.16 0.00 -1.88 -0.16 119.26 124.18 2h6i h ALA 726 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2h6i h ALA 726 Cb 0.81 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2h6i h ALA 726 CO 0.05 0.40 0.44 0.93 0.00 0.00 0.00 179.25 181.08 2h6i h GLU 727 N 1.06 1.01 -0.58 0.00 3.07 -1.94 -1.54 114.58 115.66 2h6i h GLU 727 Ca 0.29 -0.09 -0.08 0.00 -0.50 0.00 0.00 59.36 58.98 2h6i h GLU 727 Cb -0.11 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 27.57 2h6i h GLU 727 CO -0.07 0.72 0.05 2.35 -1.40 0.00 0.00 179.01 180.67 2h6i h TRP 728 N 1.02 1.07 -0.53 4.33 7.01 -0.88 -2.31 115.95 125.66 2h6i h TRP 728 Ca 0.27 -0.16 -0.08 0.00 2.11 0.00 0.00 58.89 61.02 2h6i h TRP 728 Cb -0.03 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 26.72 2h6i h TRP 728 CO -0.01 0.94 0.00 0.82 -2.79 0.00 0.00 178.44 177.40 2h6i h ILE 729 N 0.88 1.25 -0.48 2.65 2.04 -0.69 -2.84 117.51 120.33 2h6i h ILE 729 Ca 0.17 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.95 2h6i h ILE 729 Cb 0.48 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 2h6i h ILE 729 CO 0.02 0.38 0.22 0.00 0.00 0.00 0.00 178.15 178.77 2h6i h ALA 730 N 1.17 0.62 0.00 1.87 0.00 -1.14 -0.56 119.26 121.21 2h6i h ALA 730 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2h6i h ALA 730 Cb 0.49 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2h6i h ALA 730 CO 0.02 0.19 0.14 0.54 0.00 0.00 0.00 179.25 180.15 2h6i n ARG 731 N -4.61 0.09 0.10 0.00 1.74 -0.88 -0.52 116.66 112.58 2h6i n ARG 731 Ca 0.01 0.55 0.12 0.00 -0.77 0.00 0.00 57.85 57.77 2h6i n ARG 731 Cb 0.13 -1.93 0.09 0.00 -1.02 0.00 0.00 32.46 29.72 2h6i n ARG 731 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2h6i s GLN 733 N -3.27 4.52 0.13 0.00 0.74 0.33 -1.46 119.66 120.65 2h6i s GLN 733 Ca 0.03 1.94 0.00 0.00 0.05 0.00 0.00 55.36 57.38 2h6i s GLN 733 Cb 0.11 -3.17 0.00 0.00 1.10 0.00 0.00 33.01 31.05 2h6i s GLN 733 CO 0.75 0.02 0.01 0.27 -0.55 0.00 0.00 175.29 175.78 2h6i n ASN 734 N 1.48 2.30 0.17 6.67 6.94 -0.36 -4.92 115.26 127.53 2h6i n ASN 734 Ca 0.01 -1.56 0.18 0.00 -0.02 0.00 0.00 54.58 53.19 2h6i n ASN 734 Cb 0.44 0.08 0.75 0.00 -2.36 0.00 0.00 39.78 38.69 2h6i n ASN 734 CO 0.00 0.00 0.00 4.11 -1.03 0.00 0.00 177.26 180.34 2h6i h TRP 735 N 1.03 0.00 0.00 -2.53 5.08 -1.95 0.31 115.95 117.90 2h6i h TRP 735 Ca -0.11 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 59.72 2h6i h TRP 735 Cb 0.33 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.47 2h6i h TRP 735 CO 0.00 0.00 -0.68 0.93 -1.28 0.00 0.00 178.44 177.41 2h6i h GLU 736 N 0.00 0.00 0.00 0.12 5.08 -1.96 -3.47 114.58 114.35 2h6i h GLU 736 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2h6i h GLU 736 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2h6i h GLU 736 CO -0.00 0.68 0.00 0.41 -1.00 0.00 0.00 179.01 179.10 2h6i n GLY 737 N 0.91 2.78 0.21 -3.84 0.00 0.11 -4.62 105.19 100.75 2h6i n GLY 737 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2h6i n GLY 737 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h6i n GLY 738 N -0.94 -0.08 3.38 -0.02 0.00 -1.26 -3.12 105.19 103.16 2h6i n GLY 738 Ca 0.00 -1.83 -0.31 0.00 0.00 0.00 0.00 46.02 43.88 2h6i n GLY 738 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h6i s ILE 739 N -0.48 2.39 0.51 -0.61 1.01 -1.26 -1.22 121.20 121.54 2h6i s ILE 739 Ca 0.04 -1.18 0.07 0.00 0.00 0.00 0.00 60.65 59.59 2h6i s ILE 739 Cb -0.00 -1.93 0.03 0.00 0.01 0.00 0.00 42.46 40.58 2h6i s ILE 739 CO 0.03 0.45 0.52 -0.83 0.00 0.00 0.00 174.94 175.11 2h6i s GLY 740 N -1.05 2.09 0.24 6.18 0.00 -0.53 -1.40 107.32 112.85 2h6i s GLY 740 Ca 0.12 -1.72 -0.02 0.00 0.00 0.00 0.00 44.72 43.10 2h6i s GLY 740 CO 0.02 -1.77 1.68 -1.33 0.00 0.00 0.00 173.10 171.70 2h6i h GLY 741 N 0.65 0.79 -3.13 0.20 0.00 -1.85 -3.44 103.07 96.30 2h6i h GLY 741 Ca -0.36 -0.62 -0.10 0.00 0.00 0.00 0.00 47.33 46.25 2h6i h GLY 741 CO 0.52 0.57 -0.46 -1.34 0.00 0.00 0.00 176.54 175.82 2h6i s VAL 742 N -4.70 0.15 -0.04 4.60 -7.23 -1.26 -0.87 120.40 111.05 2h6i s VAL 742 Ca -0.09 -1.40 -0.38 0.00 -1.81 0.00 0.00 61.98 58.30 2h6i s VAL 742 Cb 0.14 -1.47 -0.16 0.00 0.56 0.00 0.00 36.38 35.45 2h6i s VAL 742 CO 0.82 -0.70 1.49 -2.65 -0.31 0.00 0.00 175.10 173.75 2h6i n PRO 743 N -0.03 1.19 0.00 4.82 -0.02 -1.26 -1.64 135.00 138.07 2h6i n PRO 743 Ca -0.14 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 2h6i n PRO 743 Cb 0.62 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 2h6i n PRO 743 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h6i n GLY 744 N 3.14 2.89 3.84 -1.23 0.00 -1.26 -5.04 105.19 107.52 2h6i n GLY 744 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 2h6i n GLY 744 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2h6i s MET 745 N -0.26 2.74 0.58 1.61 -1.94 -0.65 -5.02 119.30 116.37 2h6i s MET 745 Ca 0.00 0.72 -0.20 0.00 -1.71 0.00 0.00 55.69 54.50 2h6i s MET 745 Cb 0.00 -1.99 -0.05 0.00 2.01 0.00 0.00 34.83 34.81 2h6i s MET 745 CO 0.00 -1.18 1.16 -1.91 -0.01 0.00 0.00 175.02 173.09 2h6i n GLU 746 N -3.15 1.23 -2.15 2.03 2.13 -1.26 -4.29 120.64 115.18 2h6i n GLU 746 Ca 0.07 0.47 -0.42 0.00 0.66 0.00 0.00 57.16 57.94 2h6i n GLU 746 Cb 0.55 -2.36 -0.03 0.00 0.27 0.00 0.00 31.44 29.87 2h6i n GLU 746 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2h6i s ALA 747 N -1.39 3.58 -0.09 4.31 0.00 -1.26 -3.88 121.76 123.02 2h6i s ALA 747 Ca 0.75 1.16 -0.04 0.00 0.00 0.00 0.00 51.96 53.84 2h6i s ALA 747 Cb -0.42 -3.52 0.05 0.00 0.00 0.00 0.00 23.12 19.23 2h6i s ALA 747 CO 0.47 -0.61 0.19 -1.58 0.00 0.00 0.00 175.76 174.23 2h6i s HIS 748 N 0.44 -0.24 0.32 0.00 2.46 -0.49 -4.66 115.29 113.11 2h6i s HIS 748 Ca 0.60 0.67 0.08 0.00 0.47 0.00 0.00 55.06 56.88 2h6i s HIS 748 Cb -0.38 -0.14 0.92 0.00 -0.13 0.00 0.00 32.58 32.85 2h6i s HIS 748 CO 0.36 -0.26 1.60 0.78 -2.47 0.00 0.00 174.74 174.76 2h6i h GLY 749 N 7.95 1.61 0.84 1.59 0.00 -1.12 0.36 103.07 114.30 2h6i h GLY 749 Ca -0.24 -0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 2h6i h GLY 749 CO 0.23 -0.54 -0.16 -1.33 0.00 0.00 0.00 176.54 174.74 2h6i h GLY 750 N 0.09 0.53 1.97 4.60 0.00 -1.88 -0.58 103.07 107.81 2h6i h GLY 750 Ca 0.66 -0.52 -0.12 0.00 0.00 0.00 0.00 47.33 47.35 2h6i h GLY 750 CO -0.78 0.47 -0.57 -0.97 0.00 0.00 0.00 176.54 174.69 2h6i h TYR 751 N 0.18 0.03 -0.40 5.60 0.99 -1.34 -2.36 116.97 119.67 2h6i h TYR 751 Ca 0.04 -0.01 -0.13 0.00 2.00 0.00 0.00 58.73 60.63 2h6i h TYR 751 Cb 0.69 -0.01 -0.01 0.00 1.00 0.00 0.00 36.73 38.40 2h6i h TYR 751 CO 0.07 0.59 -0.26 1.15 -0.00 0.00 0.00 178.16 179.71 2h6i h THR 752 N 0.02 1.28 -0.06 -2.88 2.02 -0.17 -0.01 112.91 113.10 2h6i h THR 752 Ca -0.01 -1.42 0.00 0.00 0.77 0.00 0.00 66.41 65.75 2h6i h THR 752 Cb 1.01 1.32 -0.00 0.00 -1.74 0.00 0.00 68.15 68.74 2h6i h THR 752 CO 0.08 0.48 0.04 0.15 0.37 0.00 0.00 175.52 176.63 2h6i h PHE 753 N 0.70 0.08 -0.38 3.16 3.57 -0.98 -2.21 116.94 120.88 2h6i h PHE 753 Ca 0.08 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.66 2h6i h PHE 753 Cb 0.84 -0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.47 2h6i h PHE 753 CO 0.06 0.07 -0.23 0.00 -2.23 0.00 0.00 178.31 175.98 2h6i h GLY 755 N -0.17 0.23 0.73 0.00 0.00 -0.78 -2.26 103.07 100.83 2h6i h GLY 755 Ca 0.18 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 2h6i h GLY 755 CO -0.48 0.10 0.00 -2.00 0.00 0.00 0.00 176.54 174.16 2h6i h LEU 756 N 0.17 0.03 -1.63 3.11 5.85 -1.30 -1.52 115.31 120.03 2h6i h LEU 756 Ca 0.06 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.51 2h6i h LEU 756 Cb 0.04 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2h6i h LEU 756 CO -0.01 0.31 0.28 0.00 -0.34 0.00 0.00 178.44 178.67 2h6i h ALA 757 N 0.73 1.77 -0.10 1.25 0.00 -1.46 0.16 119.26 121.61 2h6i h ALA 757 Ca 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2h6i h ALA 757 Cb 0.29 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2h6i h ALA 757 CO 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 179.25 179.43 2h6i h ALA 758 N 1.75 0.14 -0.03 0.00 0.00 -1.17 -1.81 119.26 118.13 2h6i h ALA 758 Ca 0.16 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2h6i h ALA 758 Cb 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2h6i h ALA 758 CO -0.04 -0.14 -0.32 -0.07 0.00 0.00 0.00 179.25 178.69 2h6i h LEU 759 N -0.13 0.05 -0.72 0.00 3.38 -0.69 -0.88 115.31 116.32 2h6i h LEU 759 Ca 0.03 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2h6i h LEU 759 Cb 0.42 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2h6i h LEU 759 CO 0.01 0.37 -0.03 0.58 0.09 0.00 0.00 178.44 179.46 2h6i h VAL 760 N 0.05 1.26 -0.52 1.22 2.07 -0.51 0.28 116.25 120.10 2h6i h VAL 760 Ca 0.00 -1.14 -0.08 0.00 0.82 0.00 0.00 66.70 66.31 2h6i h VAL 760 Cb 0.58 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 2h6i h VAL 760 CO 0.04 0.41 0.03 0.40 0.02 0.00 0.00 177.57 178.47 2h6i h ILE 761 N 0.87 1.26 -0.00 4.57 2.04 -0.77 -2.30 117.51 123.18 2h6i h ILE 761 Ca 0.16 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.97 2h6i h ILE 761 Cb 0.55 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2h6i h ILE 761 CO 0.03 0.37 -0.00 0.18 0.00 0.00 0.00 178.15 178.73 2h6i n LEU 762 N -4.33 0.06 -3.64 1.44 4.77 -0.39 -4.90 117.00 110.01 2h6i n LEU 762 Ca 0.01 0.02 -0.21 0.00 -0.03 0.00 0.00 56.01 55.80 2h6i n LEU 762 Cb 0.30 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.40 2h6i n LEU 762 CO 0.42 0.01 -0.04 0.29 -1.33 0.00 0.00 177.39 176.74 2h6i n LYS 763 N -0.99 -4.88 -0.76 3.23 5.02 0.33 -4.92 118.16 115.19 2h6i n LYS 763 Ca 0.23 0.66 0.02 0.00 -2.02 0.00 0.00 58.31 57.20 2h6i n LYS 763 Cb 0.14 -5.26 0.03 0.00 -0.02 0.00 0.00 35.03 29.91 2h6i n LYS 763 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2h6i n ARG 764 N -4.20 0.21 -0.30 1.97 5.12 0.72 -4.88 116.66 115.30 2h6i n ARG 764 Ca -0.28 -1.57 0.30 0.00 -1.93 0.00 0.00 57.85 54.37 2h6i n ARG 764 Cb 0.67 -0.50 0.67 0.00 -1.16 0.00 0.00 32.46 32.14 2h6i n ARG 764 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2h6i h GLU 765 N 0.35 0.12 0.00 5.56 3.07 -1.91 0.12 114.58 121.89 2h6i h GLU 765 Ca -0.07 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 2h6i h GLU 765 Cb 1.49 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.37 2h6i h GLU 765 CO 0.03 0.08 0.00 0.54 -1.40 0.00 0.00 179.01 178.26 2h6i n ARG 766 N -4.34 0.15 0.00 2.33 1.74 -1.26 -1.58 116.66 113.70 2h6i n ARG 766 Ca 0.24 0.61 0.07 0.00 -0.77 0.00 0.00 57.85 58.01 2h6i n ARG 766 Cb 1.08 -1.96 0.34 0.00 -1.02 0.00 0.00 32.46 30.91 2h6i n ARG 766 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2h6i n SER 767 N -2.27 0.00 -4.72 0.55 7.64 0.41 -4.74 113.62 110.48 2h6i n SER 767 Ca -0.01 0.37 -0.23 0.00 1.01 0.00 0.00 58.87 60.02 2h6i n SER 767 Cb 0.07 -0.44 -0.06 0.00 -1.01 0.00 0.00 64.21 62.77 2h6i n SER 767 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2h6i s LEU 768 N -2.88 3.47 -1.06 -3.43 1.43 -0.62 -4.83 118.68 110.76 2h6i s LEU 768 Ca 0.09 -0.46 -0.22 0.00 -1.03 0.00 0.00 54.13 52.51 2h6i s LEU 768 Cb 0.10 -2.00 0.06 0.00 0.03 0.00 0.00 46.19 44.38 2h6i s LEU 768 CO 0.27 -0.01 1.48 0.21 0.23 0.00 0.00 176.35 178.52 2h6i s ASN 769 N -3.70 6.56 0.60 2.29 3.84 -1.26 -4.82 114.94 118.45 2h6i s ASN 769 Ca 0.32 -1.64 0.32 0.00 0.21 0.00 0.00 52.86 52.06 2h6i s ASN 769 Cb -0.07 -2.56 1.89 0.00 -0.55 0.00 0.00 41.25 39.95 2h6i s ASN 769 CO 0.22 -1.43 2.24 -0.07 -2.79 0.00 0.00 177.10 175.27 2h6i h LEU 770 N 12.62 0.00 -0.17 3.21 3.38 -1.92 -2.18 115.31 130.25 2h6i h LEU 770 Ca 0.24 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.08 2h6i h LEU 770 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2h6i h LEU 770 CO 1.42 0.00 -0.38 0.50 0.09 0.00 0.00 178.44 180.07 2h6i h LYS 771 N 0.00 0.55 -0.04 1.13 3.64 -1.98 -1.08 116.57 118.80 2h6i h LYS 771 Ca 0.01 -0.37 -0.14 0.00 -1.27 0.00 0.00 60.65 58.88 2h6i h LYS 771 Cb 0.10 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2h6i h LYS 771 CO -0.00 0.99 -0.62 0.66 -2.27 0.00 0.00 179.45 178.21 2h6i h SER 772 N 0.20 0.16 -0.33 4.20 4.64 -1.77 -2.52 113.55 118.13 2h6i h SER 772 Ca -0.00 -0.10 -0.09 0.00 -0.47 0.00 0.00 61.79 61.13 2h6i h SER 772 Cb 0.99 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 2h6i h SER 772 CO 0.08 0.74 -0.16 0.25 -0.87 0.00 0.00 176.83 176.87 2h6i h LEU 773 N 0.10 0.71 -0.04 5.97 5.85 -1.35 -1.26 115.31 125.29 2h6i h LEU 773 Ca -0.01 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 2h6i h LEU 773 Cb 1.11 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 2h6i h LEU 773 CO 0.09 0.96 0.02 0.25 -0.34 0.00 0.00 178.44 179.42 2h6i h LEU 774 N 0.46 0.06 -1.73 2.25 5.85 -1.13 -1.99 115.31 119.07 2h6i h LEU 774 Ca 0.07 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 2h6i h LEU 774 Cb 0.69 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 2h6i h LEU 774 CO 0.05 0.16 -0.17 -0.61 -0.34 0.00 0.00 178.44 177.53 2h6i h GLN 775 N -0.05 0.00 0.12 1.25 4.15 -1.42 -2.05 115.11 117.12 2h6i h GLN 775 Ca 0.02 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 2h6i h GLN 775 Cb 0.11 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.81 2h6i h GLN 775 CO -0.00 0.17 -0.06 2.35 -1.93 0.00 0.00 178.83 179.36 2h6i h TRP 776 N 0.00 -0.15 -0.79 3.99 7.01 -0.86 -3.04 115.95 122.10 2h6i h TRP 776 Ca -0.00 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.95 2h6i h TRP 776 Cb 0.40 0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.48 2h6i h TRP 776 CO 0.00 0.32 0.34 -0.24 -2.79 0.00 0.00 178.44 176.07 2h6i h VAL 777 N -0.77 1.26 0.00 2.65 3.04 -1.23 -1.93 116.25 119.27 2h6i h VAL 777 Ca -0.02 -0.78 -0.04 0.00 -1.01 0.00 0.00 66.70 64.84 2h6i h VAL 777 Cb 0.55 0.29 -0.01 0.00 -2.01 0.00 0.00 31.29 30.11 2h6i h VAL 777 CO 0.03 0.32 -0.21 0.71 -1.01 0.00 0.00 177.57 177.41 2h6i h THR 778 N 1.15 0.68 -0.00 3.17 1.35 -1.49 -1.07 112.91 116.71 2h6i h THR 778 Ca 0.27 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 2h6i h THR 778 Cb 0.18 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 2h6i h THR 778 CO -0.03 0.21 -0.01 -1.20 -0.25 0.00 0.00 175.52 174.24 2h6i n SER 779 N -3.61 0.01 -0.03 5.36 7.64 -0.74 -3.27 113.62 118.97 2h6i n SER 779 Ca -0.01 0.15 0.14 0.00 1.01 0.00 0.00 58.87 60.16 2h6i n SER 779 Cb 0.34 -0.38 0.53 0.00 -1.01 0.00 0.00 64.21 63.69 2h6i n SER 779 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2h6i n ARG 780 N -1.38 0.23 -2.84 1.43 5.12 -0.40 -4.78 116.66 114.04 2h6i n ARG 780 Ca 0.11 -0.07 -0.42 0.00 -1.93 0.00 0.00 57.85 55.54 2h6i n ARG 780 Cb 0.29 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 30.06 2h6i n ARG 780 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2h6i s GLN 781 N -2.82 4.38 -0.05 5.56 0.74 -1.20 -1.87 119.66 124.39 2h6i s GLN 781 Ca 0.18 1.15 -0.30 0.00 0.05 0.00 0.00 55.36 56.44 2h6i s GLN 781 Cb 0.19 -3.53 -0.05 0.00 1.10 0.00 0.00 33.01 30.72 2h6i s GLN 781 CO 0.55 -0.24 1.46 -1.64 -0.55 0.00 0.00 175.29 174.88 2h6i s MET 782 N 1.80 4.24 0.53 1.67 -1.94 0.28 -4.91 119.30 120.96 2h6i s MET 782 Ca 0.42 1.99 0.24 0.00 -1.71 0.00 0.00 55.69 56.64 2h6i s MET 782 Cb -0.18 -3.74 1.39 0.00 2.01 0.00 0.00 34.83 34.31 2h6i s MET 782 CO 0.16 -0.69 2.02 0.07 -0.01 0.00 0.00 175.02 176.57 2h6i h ARG 783 N 8.47 0.00 0.00 2.03 0.11 -1.90 -0.90 114.38 122.19 2h6i h ARG 783 Ca -0.36 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.46 2h6i h ARG 783 Cb 1.16 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.21 2h6i h ARG 783 CO 0.93 0.00 -1.62 0.34 0.10 0.00 0.00 179.97 179.72 2h6i n PHE 784 N -4.38 0.48 -0.18 4.08 7.35 -1.26 -4.62 117.46 118.93 2h6i n PHE 784 Ca 0.08 0.21 -0.09 0.00 -0.76 0.00 0.00 57.45 56.88 2h6i n PHE 784 Cb 0.52 -0.94 0.01 0.00 0.35 0.00 0.00 39.48 39.42 2h6i n PHE 784 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2h6i h GLU 785 N -1.00 0.86 0.00 -4.13 3.07 -1.93 -3.47 114.58 107.97 2h6i h GLU 785 Ca -0.39 -0.24 0.00 0.00 -0.50 0.00 0.00 59.36 58.23 2h6i h GLU 785 Cb 1.28 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 2h6i h GLU 785 CO -0.24 0.85 0.00 0.41 -1.40 0.00 0.00 179.01 178.63 2h6i n GLY 786 N -0.50 1.29 0.00 -3.84 0.00 -0.34 -4.43 105.19 97.36 2h6i n GLY 786 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2h6i n GLY 786 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h6i n GLY 787 N -2.00 1.77 3.42 -0.02 0.00 -1.26 -2.89 105.19 104.21 2h6i n GLY 787 Ca 0.00 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.66 2h6i n GLY 787 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2h6i s PHE 788 N 1.35 2.42 0.27 1.61 0.40 -1.26 -0.56 117.98 122.21 2h6i s PHE 788 Ca 0.00 -0.33 0.05 0.00 -0.60 0.00 0.00 56.93 56.05 2h6i s PHE 788 Cb 0.00 -1.35 -0.02 0.00 0.51 0.00 0.00 43.02 42.16 2h6i s PHE 788 CO 0.00 0.29 0.39 1.14 0.70 0.00 0.00 175.22 177.74 2h6i s GLN 789 N -1.80 3.34 0.01 0.44 -2.07 -0.78 -1.46 119.66 117.34 2h6i s GLN 789 Ca 0.15 -0.84 0.15 0.00 -1.82 0.00 0.00 55.36 53.00 2h6i s GLN 789 Cb -0.10 -2.87 -0.18 0.00 -1.09 0.00 0.00 33.01 28.77 2h6i s GLN 789 CO 0.06 0.32 0.74 0.41 -1.32 0.00 0.00 175.29 175.50 2h6i n GLY 790 N -1.48 -1.11 3.00 2.60 0.00 -1.26 -4.84 105.19 102.10 2h6i n GLY 790 Ca -0.06 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 2h6i n GLY 790 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h6i s ARG 791 N -2.79 0.37 0.32 1.61 0.52 -1.26 -0.56 118.95 117.17 2h6i s ARG 791 Ca -0.04 -0.72 -0.29 0.00 -0.52 0.00 0.00 55.73 54.16 2h6i s ARG 791 Cb 0.08 0.11 -0.12 0.00 0.52 0.00 0.00 34.95 35.54 2h6i s ARG 791 CO 0.82 -0.06 1.49 0.00 0.02 0.00 0.00 175.30 177.57 2h6i n ASN 793 N 1.44 -4.92 -4.35 0.00 3.02 -1.26 -5.04 115.26 104.16 2h6i n ASN 793 Ca 0.06 -0.20 -0.18 0.00 -0.03 0.00 0.00 54.58 54.24 2h6i n ASN 793 Cb 0.36 -3.79 -0.10 0.00 -0.61 0.00 0.00 39.78 35.64 2h6i n ASN 793 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2h6i s LYS 794 N -5.35 1.38 0.73 3.52 1.02 -0.97 -4.99 119.74 115.08 2h6i s LYS 794 Ca 0.21 -1.70 -0.12 0.00 0.02 0.00 0.00 55.97 54.38 2h6i s LYS 794 Cb -0.09 -0.69 0.04 0.00 -0.52 0.00 0.00 37.83 36.57 2h6i s LYS 794 CO 0.26 -0.09 1.09 -0.51 -0.92 0.00 0.00 175.35 175.18 2h6i s LEU 795 N -3.33 3.14 0.62 3.17 1.43 -1.26 -4.79 118.68 117.65 2h6i s LEU 795 Ca 0.29 1.84 -0.16 0.00 -1.03 0.00 0.00 54.13 55.07 2h6i s LEU 795 Cb 0.06 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.73 2h6i s LEU 795 CO 0.09 -1.86 1.12 0.54 0.23 0.00 0.00 176.35 176.47 2h6i s VAL 796 N -2.78 3.21 -0.22 -1.59 0.11 -1.26 -4.24 120.40 113.63 2h6i s VAL 796 Ca 0.62 0.62 -0.11 0.00 -2.93 0.00 0.00 61.98 60.17 2h6i s VAL 796 Cb -0.18 -3.15 0.07 0.00 -1.53 0.00 0.00 36.38 31.59 2h6i s VAL 796 CO 0.52 -0.29 0.53 -0.62 -3.33 0.00 0.00 175.10 171.91 2h6i s ASP 797 N -2.33 -0.69 0.40 3.54 -1.08 -0.54 -4.84 116.67 111.13 2h6i s ASP 797 Ca 0.69 1.18 0.14 0.00 -0.52 0.00 0.00 52.55 54.03 2h6i s ASP 797 Cb -0.22 1.16 0.98 0.00 -1.46 0.00 0.00 42.92 43.38 2h6i s ASP 797 CO 0.37 -0.22 1.87 1.23 0.52 0.00 0.00 175.17 178.94 2h6i h GLY 798 N 7.25 0.98 2.00 2.66 0.00 -0.22 -2.17 103.07 113.57 2h6i h GLY 798 Ca -0.31 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 2h6i h GLY 798 CO 0.22 0.03 -0.01 0.00 0.00 0.00 0.00 176.54 176.78 2h6i h TYR 800 N 0.00 0.00 -1.14 0.00 -1.99 -1.66 -2.98 116.97 109.20 2h6i h TYR 800 Ca -0.00 0.00 0.32 0.00 2.00 0.00 0.00 58.73 61.05 2h6i h TYR 800 Cb 0.35 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.02 2h6i h TYR 800 CO 0.00 0.00 0.80 0.77 -0.00 0.00 0.00 178.16 179.73 2h6i h SER 801 N 0.00 0.13 0.01 3.88 0.02 -1.36 0.55 113.55 116.78 2h6i h SER 801 Ca 0.00 0.03 -0.38 0.00 -0.84 0.00 0.00 61.79 60.60 2h6i h SER 801 Cb 0.60 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.09 2h6i h SER 801 CO 0.00 0.02 -2.12 0.33 -1.14 0.00 0.00 176.83 173.92 2h6i n PHE 802 N -4.32 0.42 -0.17 3.45 7.35 -1.13 -3.43 117.46 119.63 2h6i n PHE 802 Ca 0.26 0.15 -0.02 0.00 -0.76 0.00 0.00 57.45 57.08 2h6i n PHE 802 Cb 1.15 -1.05 0.08 0.00 0.35 0.00 0.00 39.48 40.01 2h6i n PHE 802 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 2h6i h TRP 803 N -0.75 0.34 0.00 -5.13 -0.00 -1.29 0.21 115.95 109.32 2h6i h TRP 803 Ca -0.56 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.36 2h6i h TRP 803 Cb 1.61 -0.07 0.00 0.00 -0.00 0.00 0.00 29.16 30.70 2h6i h TRP 803 CO -0.00 0.10 -0.01 1.96 -0.00 0.00 0.00 178.44 180.49 2h6i h GLN 804 N 0.37 0.00 -0.89 0.49 1.08 -0.17 -3.34 115.11 112.65 2h6i h GLN 804 Ca 0.26 0.00 0.26 0.00 -1.45 0.00 0.00 58.65 57.72 2h6i h GLN 804 Cb 0.29 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.68 2h6i h GLN 804 CO -0.26 0.00 0.68 0.00 -0.95 0.00 0.00 178.83 178.30 2h6i h ALA 805 N -1.79 2.80 0.00 3.87 0.00 -1.59 0.55 119.26 123.10 2h6i h ALA 805 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2h6i h ALA 805 Cb 0.01 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2h6i h ALA 805 CO 0.00 -1.14 -0.05 0.78 0.00 0.00 0.00 179.25 178.84 2h6i h GLY 806 N 0.00 0.00 1.67 0.00 0.00 -1.10 -2.27 103.07 101.37 2h6i h GLY 806 Ca 0.42 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.66 2h6i h GLY 806 CO -0.00 0.00 -0.27 1.41 0.00 0.00 0.00 176.54 177.68 2h6i h LEU 807 N 0.00 0.39 -0.40 3.11 3.38 -0.01 -3.21 115.31 118.57 2h6i h LEU 807 Ca -0.00 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.87 2h6i h LEU 807 Cb 0.34 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2h6i h LEU 807 CO 0.01 0.66 0.20 -0.07 0.09 0.00 0.00 178.44 179.32 2h6i h LEU 808 N 0.35 0.29 -1.24 1.67 -0.00 -1.53 0.21 115.31 115.05 2h6i h LEU 808 Ca 0.05 0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 57.90 2h6i h LEU 808 Cb 0.65 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.26 2h6i h LEU 808 CO 0.05 0.21 0.01 -0.65 -0.00 0.00 0.00 178.44 178.06 2h6i h PRO 809 N 0.40 0.52 -0.34 1.13 0.11 -1.71 0.14 132.00 132.26 2h6i h PRO 809 Ca 0.17 -0.11 -0.05 0.00 0.11 0.00 0.00 66.00 66.12 2h6i h PRO 809 Cb 0.08 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2h6i h PRO 809 CO -0.12 0.54 -0.00 -0.07 -0.21 0.00 0.00 178.00 178.14 2h6i h LEU 810 N 0.50 0.58 -0.35 2.35 3.38 -1.40 -1.64 115.31 118.74 2h6i h LEU 810 Ca 0.11 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 2h6i h LEU 810 Cb 0.31 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2h6i h LEU 810 CO 0.01 0.75 0.12 -0.07 0.09 0.00 0.00 178.44 179.34 2h6i h LEU 811 N 0.40 0.50 -0.46 1.67 3.38 -0.45 0.04 115.31 120.40 2h6i h LEU 811 Ca 0.09 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 57.96 2h6i h LEU 811 Cb 0.46 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 2h6i h LEU 811 CO 0.02 0.55 0.04 -0.74 0.09 0.00 0.00 178.44 178.40 2h6i h HIS 812 N 0.41 0.05 -0.43 1.13 2.76 -0.64 0.23 115.15 118.67 2h6i h HIS 812 Ca 0.11 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 2h6i h HIS 812 Cb 0.22 0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.21 2h6i h HIS 812 CO 0.00 -0.05 0.22 -0.09 -1.30 0.00 0.00 177.93 176.71 2h6i h ARG 813 N 0.16 0.61 -0.25 5.26 9.65 -0.98 0.15 114.38 128.98 2h6i h ARG 813 Ca 0.23 -0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 59.02 2h6i h ARG 813 Cb 0.32 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.77 2h6i h ARG 813 CO -0.34 0.50 0.12 0.00 2.80 0.00 0.00 179.97 183.05 2h6i h ALA 814 N 1.07 0.33 -0.60 2.80 0.00 -0.11 -2.12 119.26 120.63 2h6i h ALA 814 Ca 0.15 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2h6i h ALA 814 Cb 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2h6i h ALA 814 CO -0.02 -0.11 -0.03 -0.07 0.00 0.00 0.00 179.25 179.02 2h6i h LEU 815 N 0.28 1.06 -1.42 0.00 3.38 -0.42 -2.90 115.31 115.29 2h6i h LEU 815 Ca 0.09 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 2h6i h LEU 815 Cb 0.12 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2h6i h LEU 815 CO -0.01 1.12 -0.00 -0.74 0.09 0.00 0.00 178.44 178.90 2h6i h HIS 816 N 0.97 0.38 0.00 1.13 2.76 -0.60 -0.99 115.15 118.80 2h6i h HIS 816 Ca 0.17 -0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.25 2h6i h HIS 816 Cb 0.60 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 2h6i h HIS 816 CO 0.04 0.39 -0.30 0.00 -1.30 0.00 0.00 177.93 176.76 2h6i h ALA 817 N 1.64 1.01 -0.02 5.26 0.00 -1.19 -2.29 119.26 123.68 2h6i h ALA 817 Ca 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2h6i h ALA 817 Cb 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2h6i h ALA 817 CO 0.01 0.38 0.00 1.04 0.00 0.00 0.00 179.25 180.67 2h6i n GLN 818 N -3.47 1.35 -2.67 0.00 6.02 -0.41 -4.93 117.38 113.27 2h6i n GLN 818 Ca -0.00 -0.52 -0.07 0.00 -0.01 0.00 0.00 57.00 56.41 2h6i n GLN 818 Cb 0.47 -1.47 0.02 0.00 1.02 0.00 0.00 30.24 30.27 2h6i n GLN 818 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2h6i n GLY 819 N 1.08 0.45 3.60 1.08 0.00 -0.86 -4.97 105.19 105.56 2h6i n GLY 819 Ca 0.21 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 2h6i n GLY 819 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2h6i s ASP 820 N -3.02 6.10 0.33 1.61 -1.08 -0.98 -4.88 116.67 114.76 2h6i s ASP 820 Ca 0.13 1.20 0.26 0.00 -0.52 0.00 0.00 52.55 53.63 2h6i s ASP 820 Cb -0.06 -2.53 1.07 0.00 -1.46 0.00 0.00 42.92 39.94 2h6i s ASP 820 CO 0.16 -1.56 1.78 1.55 0.52 0.00 0.00 175.17 177.63 2h6i h PRO 821 N 11.89 0.00 -0.37 4.34 0.13 -1.93 -3.12 132.00 142.95 2h6i h PRO 821 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2h6i h PRO 821 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2h6i h PRO 821 CO 1.04 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.81 2h6i n ALA 822 N -1.86 2.45 -1.77 -0.56 0.00 -1.26 -4.95 120.51 112.56 2h6i n ALA 822 Ca 0.02 -0.82 -0.38 0.00 0.00 0.00 0.00 53.44 52.26 2h6i n ALA 822 Cb 0.26 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 2h6i n ALA 822 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2h6i s LEU 823 N -1.35 4.20 0.63 0.00 1.43 -1.18 -5.02 118.68 117.39 2h6i s LEU 823 Ca 0.36 2.25 -0.15 0.00 -1.03 0.00 0.00 54.13 55.55 2h6i s LEU 823 Cb 0.20 -4.05 -0.02 0.00 0.03 0.00 0.00 46.19 42.35 2h6i s LEU 823 CO 0.27 -0.59 1.09 -0.55 0.23 0.00 0.00 176.35 176.80 2h6i s SER 824 N -1.25 5.43 -0.12 2.29 0.15 -1.26 -4.96 113.70 113.97 2h6i s SER 824 Ca 0.57 1.91 0.15 0.00 0.70 0.00 0.00 55.95 59.28 2h6i s SER 824 Cb -0.28 -2.54 0.35 0.00 -1.71 0.00 0.00 66.02 61.84 2h6i s SER 824 CO 0.35 -1.41 1.25 0.23 1.20 0.00 0.00 173.24 174.86 2h6i n MET 825 N -2.24 2.22 0.00 5.44 0.00 -1.26 -4.68 117.12 116.59 2h6i n MET 825 Ca 0.10 -2.53 0.00 0.00 0.00 0.00 0.00 57.70 55.27 2h6i n MET 825 Cb 0.52 -1.56 0.00 0.00 0.00 0.00 0.00 33.22 32.18 2h6i n MET 825 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2h6i n SER 826 N -0.83 0.00 -4.01 7.83 3.41 -1.26 -4.83 113.62 113.93 2h6i n SER 826 Ca 0.16 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.69 2h6i n SER 826 Cb 0.68 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.53 2h6i n SER 826 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2h6i s HIS 827 N 0.00 0.36 0.33 7.33 3.76 -1.26 -4.75 115.29 121.06 2h6i s HIS 827 Ca 0.00 -0.78 -0.16 0.00 -0.15 0.00 0.00 55.06 53.97 2h6i s HIS 827 Cb 0.00 -0.26 -0.09 0.00 1.11 0.00 0.00 32.58 33.33 2h6i s HIS 827 CO 0.00 -0.34 0.76 -1.58 -0.85 0.00 0.00 174.74 172.73 2h6i s TRP 828 N -3.01 3.38 -0.41 1.40 0.23 -1.26 -4.67 118.94 114.59 2h6i s TRP 828 Ca -0.01 1.28 -0.06 0.00 -2.03 0.00 0.00 56.10 55.27 2h6i s TRP 828 Cb 0.01 -2.58 -0.19 0.00 0.03 0.00 0.00 33.47 30.75 2h6i s TRP 828 CO -0.07 0.08 3.04 -1.33 0.96 0.00 0.00 176.95 179.63 2h6i n MET 829 N -0.34 2.15 -4.02 4.98 2.81 -1.26 -4.73 117.12 116.70 2h6i n MET 829 Ca 0.04 -1.18 -0.10 0.00 -1.81 0.00 0.00 57.70 54.64 2h6i n MET 829 Cb 0.53 -2.15 -0.05 0.00 -0.71 0.00 0.00 33.22 30.84 2h6i n MET 829 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 2h6i s PHE 830 N 1.66 0.53 -0.97 2.03 -0.12 -1.26 -4.84 117.98 115.03 2h6i s PHE 830 Ca 0.58 -0.88 -0.21 0.00 -0.05 0.00 0.00 56.93 56.38 2h6i s PHE 830 Cb 0.24 0.11 0.09 0.00 -0.63 0.00 0.00 43.02 42.83 2h6i s PHE 830 CO -0.02 -1.02 1.29 -1.58 -0.05 0.00 0.00 175.22 173.84 2h6i s HIS 831 N -3.79 2.81 0.21 3.49 5.65 -1.26 -4.84 115.29 117.56 2h6i s HIS 831 Ca 0.25 -1.08 -0.09 0.00 0.25 0.00 0.00 55.06 54.39 2h6i s HIS 831 Cb -0.00 -4.49 0.25 0.00 -1.18 0.00 0.00 32.58 27.15 2h6i s HIS 831 CO 0.11 -1.72 1.82 1.96 -0.65 0.00 0.00 174.74 176.26 2h6i h GLN 832 N 9.35 0.71 -0.19 2.88 4.20 -1.87 -1.35 115.11 128.84 2h6i h GLN 832 Ca 0.16 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 2h6i h GLN 832 Cb 1.02 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 2h6i h GLN 832 CO 1.27 0.47 -0.04 0.37 -0.67 0.00 0.00 178.83 180.23 2h6i h GLN 833 N 0.73 0.37 -0.78 1.46 4.15 -1.88 -2.24 115.11 116.93 2h6i h GLN 833 Ca 0.31 -0.14 0.09 0.00 0.77 0.00 0.00 58.65 59.68 2h6i h GLN 833 Cb 0.17 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.77 2h6i h GLN 833 CO -0.17 0.62 0.42 0.00 -1.93 0.00 0.00 178.83 177.77 2h6i h ALA 834 N 0.74 1.10 -0.72 3.38 0.00 -1.80 -0.23 119.26 121.73 2h6i h ALA 834 Ca 0.05 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2h6i h ALA 834 Cb 0.48 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2h6i h ALA 834 CO 0.02 0.04 0.22 1.25 0.00 0.00 0.00 179.25 180.78 2h6i h LEU 835 N 0.71 1.04 -1.02 0.00 5.85 -1.10 -1.85 115.31 118.94 2h6i h LEU 835 Ca 0.38 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.84 2h6i h LEU 835 Cb 0.37 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2h6i h LEU 835 CO -0.26 0.96 -0.05 1.56 -0.34 0.00 0.00 178.44 180.32 2h6i h GLN 836 N 1.06 0.65 -0.13 1.25 4.20 -0.58 -1.81 115.11 119.75 2h6i h GLN 836 Ca 0.23 -0.18 -0.13 0.00 0.06 0.00 0.00 58.65 58.64 2h6i h GLN 836 Cb 0.30 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2h6i h GLN 836 CO -0.01 0.70 -0.48 0.93 -0.67 0.00 0.00 178.83 179.31 2h6i h GLU 837 N 0.61 0.34 -0.15 1.46 5.08 -0.56 -1.54 114.58 119.81 2h6i h GLU 837 Ca 0.12 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2h6i h GLU 837 Cb 0.45 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2h6i h GLU 837 CO 0.02 0.75 -0.13 -0.92 -1.00 0.00 0.00 179.01 177.73 2h6i h TYR 838 N 0.27 0.42 0.65 4.33 3.20 -0.97 -1.63 116.97 123.24 2h6i h TYR 838 Ca 0.01 -0.12 -0.03 0.00 3.14 0.00 0.00 58.73 61.73 2h6i h TYR 838 Cb 0.95 -0.09 0.01 0.00 1.54 0.00 0.00 36.73 39.13 2h6i h TYR 838 CO 0.02 0.73 -0.31 0.82 -1.64 0.00 0.00 178.16 177.79 2h6i h ILE 839 N -0.02 0.27 -0.90 1.81 2.04 -1.34 -0.60 117.51 118.78 2h6i h ILE 839 Ca 0.02 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2h6i h ILE 839 Cb 0.66 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 2h6i h ILE 839 CO 0.03 0.02 0.57 -0.07 0.00 0.00 0.00 178.15 178.71 2h6i h LEU 840 N -1.04 1.05 0.00 1.44 3.38 -1.37 -0.92 115.31 117.85 2h6i h LEU 840 Ca -0.09 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2h6i h LEU 840 Cb 0.71 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 2h6i h LEU 840 CO 0.15 0.78 -1.42 0.23 0.09 0.00 0.00 178.44 178.27 2h6i n MET 841 N -4.38 0.63 -0.02 1.13 2.81 -0.61 -4.58 117.12 112.10 2h6i n MET 841 Ca 0.10 -0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.97 2h6i n MET 841 Cb 0.04 -1.70 -0.04 0.00 -0.71 0.00 0.00 33.22 30.80 2h6i n MET 841 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2h6i s GLN 844 N -1.75 3.92 -0.19 0.00 -0.21 -1.25 -1.07 119.66 119.11 2h6i s GLN 844 Ca 0.34 -0.13 -0.20 0.00 0.02 0.00 0.00 55.36 55.39 2h6i s GLN 844 Cb 0.20 -3.33 -0.03 0.00 1.00 0.00 0.00 33.01 30.84 2h6i s GLN 844 CO 0.29 0.48 0.58 0.00 -2.12 0.00 0.00 175.29 174.52 2h6i h PRO 846 N 7.39 0.44 0.00 0.00 0.13 -1.97 0.63 132.00 138.62 2h6i h PRO 846 Ca -0.33 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2h6i h PRO 846 Cb 1.15 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2h6i h PRO 846 CO 0.76 0.29 0.00 0.00 -0.23 0.00 0.00 178.00 178.82 2h6i n ALA 847 N -2.48 2.53 0.00 -0.56 0.00 -1.26 -4.99 120.51 113.75 2h6i n ALA 847 Ca 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2h6i n ALA 847 Cb 0.73 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2h6i n ALA 847 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h6i n GLY 848 N 0.93 2.64 0.00 0.00 0.00 0.22 -4.83 105.19 104.16 2h6i n GLY 848 Ca 0.19 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.55 2h6i n GLY 848 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h6i n GLY 849 N 1.05 1.10 3.65 -0.02 0.00 -1.26 -4.61 105.19 105.10 2h6i n GLY 849 Ca 0.00 -1.80 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 2h6i n GLY 849 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h6i s LEU 850 N -0.92 2.75 0.00 0.99 1.02 -1.26 -1.03 118.68 120.22 2h6i s LEU 850 Ca 0.00 -1.43 -0.02 0.00 0.02 0.00 0.00 54.13 52.70 2h6i s LEU 850 Cb 0.00 -0.87 0.01 0.00 0.02 0.00 0.00 46.19 45.35 2h6i s LEU 850 CO 0.00 -0.54 0.40 0.00 0.02 0.00 0.00 176.35 176.22 2h6i n LEU 851 N -1.04 0.00 0.24 1.79 -0.00 -0.24 -3.49 117.00 114.26 2h6i n LEU 851 Ca -0.08 -2.20 -0.09 0.00 -0.00 0.00 0.00 56.01 53.63 2h6i n LEU 851 Cb 0.67 2.05 -0.04 0.00 -0.00 0.00 0.00 43.42 46.09 2h6i n LEU 851 CO 0.46 -0.52 0.51 -0.78 -0.00 0.00 0.00 177.39 177.07 2h6i h ASP 852 N 1.53 -0.51 -5.01 1.45 1.82 -1.89 -3.36 116.42 110.45 2h6i h ASP 852 Ca -0.21 0.02 0.05 0.00 -0.39 0.00 0.00 57.03 56.49 2h6i h ASP 852 Cb 0.93 0.13 -0.07 0.00 0.68 0.00 0.00 39.33 41.00 2h6i h ASP 852 CO 0.29 -0.37 0.21 -1.59 -1.61 0.00 0.00 179.24 176.18 2h6i s LYS 853 N -4.31 1.68 0.06 0.28 -2.85 -1.26 0.39 119.74 113.73 2h6i s LYS 853 Ca -0.09 -0.89 -0.34 0.00 -1.00 0.00 0.00 55.97 53.65 2h6i s LYS 853 Cb 0.01 0.60 -0.13 0.00 -2.06 0.00 0.00 37.83 36.25 2h6i s LYS 853 CO 0.27 -0.76 1.69 -2.30 0.10 0.00 0.00 175.35 174.35 2h6i n PRO 854 N -0.44 2.14 0.00 1.78 -0.02 -1.24 -1.76 135.00 135.46 2h6i n PRO 854 Ca -0.07 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2h6i n PRO 854 Cb 0.60 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2h6i n PRO 854 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h6i n GLY 855 N 3.77 1.95 3.94 -1.23 0.00 -1.26 -5.06 105.19 107.31 2h6i n GLY 855 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 2h6i n GLY 855 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h6i s LYS 856 N -0.51 3.44 0.17 1.61 -0.14 -0.72 -5.10 119.74 118.49 2h6i s LYS 856 Ca 0.00 -0.38 0.01 0.00 -1.36 0.00 0.00 55.97 54.24 2h6i s LYS 856 Cb 0.00 -2.66 -0.04 0.00 -1.68 0.00 0.00 37.83 33.45 2h6i s LYS 856 CO 0.00 0.12 0.33 -1.54 -0.76 0.00 0.00 175.35 173.50 2h6i s SER 857 N -4.05 6.36 1.08 2.83 1.04 -1.26 -4.91 113.70 114.79 2h6i s SER 857 Ca 0.41 0.29 -0.13 0.00 0.48 0.00 0.00 55.95 57.00 2h6i s SER 857 Cb -0.10 -1.96 0.24 0.00 0.10 0.00 0.00 66.02 64.30 2h6i s SER 857 CO 0.36 0.01 1.06 0.00 0.98 0.00 0.00 173.24 175.65 2h6i s ARG 858 N -3.25 -0.25 -0.26 4.02 1.70 -1.26 -4.73 118.95 114.93 2h6i s ARG 858 Ca 0.36 0.61 -0.30 0.00 -0.47 0.00 0.00 55.73 55.93 2h6i s ARG 858 Cb -0.11 -1.65 0.18 0.00 -0.57 0.00 0.00 34.95 32.79 2h6i s ARG 858 CO 0.29 -3.21 1.29 0.16 -1.08 0.00 0.00 175.30 172.74 2h6i s ASP 859 N -3.08 -0.10 0.54 -2.89 1.47 -1.23 -5.05 116.67 106.34 2h6i s ASP 859 Ca 0.67 0.10 0.21 0.00 1.18 0.00 0.00 52.55 54.71 2h6i s ASP 859 Cb -0.21 0.08 1.45 0.00 -0.34 0.00 0.00 42.92 43.90 2h6i s ASP 859 CO 0.61 -0.10 2.17 -0.26 0.68 0.00 0.00 175.17 178.26 2h6i h PHE 860 N 2.14 0.00 0.74 2.11 -1.00 -1.98 -1.01 116.94 117.94 2h6i h PHE 860 Ca -0.10 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.65 2h6i h PHE 860 Cb 1.18 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.75 2h6i h PHE 860 CO 0.22 0.00 -0.36 -0.92 -1.61 0.00 0.00 178.31 175.64 2h6i h TYR 861 N 0.00 -0.93 -0.86 -0.55 3.20 -1.95 -0.78 116.97 115.11 2h6i h TYR 861 Ca 0.02 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.91 2h6i h TYR 861 Cb 0.09 0.31 -0.05 0.00 1.54 0.00 0.00 36.73 38.61 2h6i h TYR 861 CO 0.00 -0.58 0.56 0.45 -1.64 0.00 0.00 178.16 176.95 2h6i h HIS 862 N -1.23 1.01 -0.03 -3.82 3.86 -1.74 -1.39 115.15 111.81 2h6i h HIS 862 Ca -0.10 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.15 2h6i h HIS 862 Cb 0.77 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 2h6i h HIS 862 CO 0.01 0.57 -0.07 1.15 0.86 0.00 0.00 177.93 180.45 2h6i h THR 863 N 1.03 0.81 0.06 2.45 2.02 -1.17 0.23 112.91 118.35 2h6i h THR 863 Ca 0.35 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.54 2h6i h THR 863 Cb 0.08 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 2h6i h THR 863 CO -0.11 0.00 -0.11 0.00 0.37 0.00 0.00 175.52 175.67 2h6i h PHE 865 N -0.22 0.21 -0.89 0.00 -1.00 -1.12 -1.35 116.94 112.58 2h6i h PHE 865 Ca 0.02 -0.11 0.01 0.00 2.81 0.00 0.00 57.97 60.70 2h6i h PHE 865 Cb 0.23 -0.03 -0.04 0.00 3.61 0.00 0.00 35.95 39.72 2h6i h PHE 865 CO -0.14 0.89 0.59 0.00 -1.61 0.00 0.00 178.31 178.04 2h6i h LEU 867 N 1.20 0.87 -0.71 0.00 3.38 -1.47 -1.03 115.31 117.55 2h6i h LEU 867 Ca 0.33 -0.53 0.04 0.00 0.09 0.00 0.00 57.88 57.81 2h6i h LEU 867 Cb -0.13 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.32 2h6i h LEU 867 CO -0.07 1.23 0.43 0.28 0.09 0.00 0.00 178.44 180.41 2h6i h SER 868 N 0.54 0.70 -0.32 -0.43 0.02 -0.82 -0.92 113.55 112.32 2h6i h SER 868 Ca 0.02 0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.83 2h6i h SER 868 Cb 1.07 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.47 2h6i h SER 868 CO 0.11 0.47 -0.37 1.23 -1.14 0.00 0.00 176.83 177.13 2h6i h GLY 869 N 0.83 0.88 1.00 -3.77 0.00 -1.04 -2.59 103.07 98.38 2h6i h GLY 869 Ca 0.30 -0.93 0.06 0.00 0.00 0.00 0.00 47.33 46.76 2h6i h GLY 869 CO -0.13 0.84 0.51 -2.00 0.00 0.00 0.00 176.54 175.75 2h6i h LEU 870 N 0.58 0.74 -0.47 3.11 5.85 -0.64 0.12 115.31 124.60 2h6i h LEU 870 Ca 0.04 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.63 2h6i h LEU 870 Cb 0.95 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 2h6i h LEU 870 CO 0.09 0.48 -0.27 -1.28 -0.34 0.00 0.00 178.44 177.11 2h6i h SER 871 N 0.84 1.01 -0.42 1.25 0.87 -1.03 -1.94 113.55 114.12 2h6i h SER 871 Ca 0.33 -0.41 -0.12 0.00 -1.23 0.00 0.00 61.79 60.36 2h6i h SER 871 Cb 0.23 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2h6i h SER 871 CO -0.11 1.21 -0.20 0.40 -0.53 0.00 0.00 176.83 177.59 2h6i h ILE 872 N 0.82 1.27 0.00 2.23 2.04 -0.98 -2.14 117.51 120.75 2h6i h ILE 872 Ca 0.09 -1.35 -0.05 0.00 1.00 0.00 0.00 64.86 64.55 2h6i h ILE 872 Cb 0.86 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 2h6i h ILE 872 CO 0.08 0.46 -0.24 0.00 0.00 0.00 0.00 178.15 178.45 2h6i h ALA 873 N 0.96 1.34 0.00 1.87 0.00 -0.60 -3.10 119.26 119.73 2h6i h ALA 873 Ca 0.11 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2h6i h ALA 873 Cb 0.76 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2h6i h ALA 873 CO 0.06 0.30 -1.26 1.04 0.00 0.00 0.00 179.25 179.39 2h6i n GLN 874 N -3.87 0.61 -4.76 0.00 6.02 -0.75 -4.74 117.38 109.90 2h6i n GLN 874 Ca -0.02 0.18 -0.33 0.00 -0.01 0.00 0.00 57.00 56.83 2h6i n GLN 874 Cb 0.33 -1.81 -0.16 0.00 1.02 0.00 0.00 30.24 29.62 2h6i n GLN 874 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2h6i s HIS 875 N -3.10 2.69 -0.05 1.08 3.76 -0.82 -0.67 115.29 118.18 2h6i s HIS 875 Ca -0.02 -1.13 0.06 0.00 -0.15 0.00 0.00 55.06 53.83 2h6i s HIS 875 Cb 0.09 -1.82 -0.01 0.00 1.11 0.00 0.00 32.58 31.95 2h6i s HIS 875 CO 0.80 -0.49 -0.24 0.12 -0.85 0.00 0.00 174.74 174.08 2h6i s PHE 876 N 0.67 2.44 -0.15 1.40 5.36 -1.02 -4.79 117.98 121.89 2h6i s PHE 876 Ca -0.10 -0.59 -0.12 0.00 -0.96 0.00 0.00 56.93 55.16 2h6i s PHE 876 Cb -0.16 -1.58 0.04 0.00 -0.34 0.00 0.00 43.02 40.98 2h6i s PHE 876 CO 0.02 -0.13 0.38 0.20 -1.46 0.00 0.00 175.22 174.23 2h6i s GLY 877 N -0.33 -0.29 -0.30 13.12 0.00 -1.26 -1.63 107.32 116.63 2h6i s GLY 877 Ca 0.01 1.15 -0.08 0.00 0.00 0.00 0.00 44.72 45.81 2h6i s GLY 877 CO 0.02 1.06 0.81 -0.45 0.00 0.00 0.00 173.10 174.54 2h6i s SER 878 N 0.42 -0.95 1.49 1.64 0.15 -0.59 -5.03 113.70 110.84 2h6i s SER 878 Ca -0.02 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.34 2h6i s SER 878 Cb -0.04 1.84 0.00 0.00 -1.71 0.00 0.00 66.02 66.11 2h6i s SER 878 CO -0.02 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.85 2h6i n GLY 879 N 5.40 2.08 0.77 9.45 0.00 -1.26 -1.82 105.19 119.82 2h6i n GLY 879 Ca -0.05 -0.38 0.12 0.00 0.00 0.00 0.00 46.02 45.71 2h6i n GLY 879 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h6i n ALA 880 N 10.98 2.49 -2.68 4.61 0.00 -1.26 -4.91 120.51 129.73 2h6i n ALA 880 Ca 0.00 -0.67 -0.40 0.00 0.00 0.00 0.00 53.44 52.37 2h6i n ALA 880 Cb 0.00 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 2h6i n ALA 880 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2h6i s MET 881 N -1.76 4.29 -0.07 0.00 1.00 -0.75 -5.07 119.30 116.94 2h6i s MET 881 Ca 0.34 0.66 0.01 0.00 0.00 0.00 0.00 55.69 56.71 2h6i s MET 881 Cb 0.20 -3.52 0.02 0.00 0.00 0.00 0.00 34.83 31.52 2h6i s MET 881 CO 0.29 -0.10 -0.09 -0.51 0.00 0.00 0.00 175.02 174.61 2h6i s LEU 882 N 1.44 1.44 -0.21 -0.03 1.02 -1.26 -1.54 118.68 119.54 2h6i s LEU 882 Ca 0.31 -0.25 -0.04 0.00 0.02 0.00 0.00 54.13 54.17 2h6i s LEU 882 Cb -0.16 -0.72 0.09 0.00 0.02 0.00 0.00 46.19 45.42 2h6i s LEU 882 CO 0.12 -0.03 0.18 -2.28 0.02 0.00 0.00 176.35 174.37 2h6i s HIS 883 N 0.97 -0.11 0.21 0.29 2.46 -0.65 -5.02 115.29 113.44 2h6i s HIS 883 Ca -0.09 -0.06 -0.08 0.00 0.47 0.00 0.00 55.06 55.30 2h6i s HIS 883 Cb -0.15 -0.51 -0.07 0.00 -0.13 0.00 0.00 32.58 31.73 2h6i s HIS 883 CO 0.00 -0.63 0.51 -0.51 -2.47 0.00 0.00 174.74 171.64 2h6i s ASP 884 N 2.26 6.58 -0.38 9.88 -0.00 -1.26 -2.44 116.67 131.31 2h6i s ASP 884 Ca 0.06 0.83 0.02 0.00 -0.00 0.00 0.00 52.55 53.46 2h6i s ASP 884 Cb -0.16 -2.19 0.16 0.00 -0.00 0.00 0.00 42.92 40.73 2h6i s ASP 884 CO -0.15 -0.05 0.32 -0.69 -0.00 0.00 0.00 175.17 174.60 2h6i s VAL 885 N -1.79 0.02 -0.55 -1.27 1.01 0.16 -5.02 120.40 112.96 2h6i s VAL 885 Ca 0.46 -1.79 -0.17 0.00 0.00 0.00 0.00 61.98 60.48 2h6i s VAL 885 Cb -0.11 -0.99 0.12 0.00 0.00 0.00 0.00 36.38 35.40 2h6i s VAL 885 CO 0.22 -0.92 0.54 -0.69 0.00 0.00 0.00 175.10 174.26 2h6i s VAL 886 N 0.83 5.11 0.49 2.92 1.01 -1.26 -4.25 120.40 125.25 2h6i s VAL 886 Ca 0.23 -1.33 -0.22 0.00 0.00 0.00 0.00 61.98 60.66 2h6i s VAL 886 Cb -0.12 -4.36 -0.07 0.00 0.00 0.00 0.00 36.38 31.83 2h6i s VAL 886 CO -0.07 -0.91 1.15 -0.22 0.00 0.00 0.00 175.10 175.06 2h6i s LEU 887 N 1.88 3.93 0.00 3.92 2.96 -1.26 -4.82 118.68 125.29 2h6i s LEU 887 Ca 0.05 2.26 0.00 0.00 -0.22 0.00 0.00 54.13 56.23 2h6i s LEU 887 Cb -0.28 -4.35 0.00 0.00 0.50 0.00 0.00 46.19 42.06 2h6i s LEU 887 CO 0.04 -1.01 0.00 0.61 -1.32 0.00 0.00 176.35 174.67 2h6i n GLY 888 N 0.35 -0.81 3.76 7.98 0.00 -1.26 -4.84 105.19 110.38 2h6i n GLY 888 Ca 0.09 -1.26 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 2h6i n GLY 888 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2h6i s VAL 889 N 0.00 2.96 0.41 1.61 -7.23 -0.76 -4.83 120.40 112.55 2h6i s VAL 889 Ca 0.00 0.93 0.25 0.00 -1.81 0.00 0.00 61.98 61.35 2h6i s VAL 889 Cb 0.00 -3.59 0.44 0.00 0.56 0.00 0.00 36.38 33.78 2h6i s VAL 889 CO 0.00 0.21 1.66 -0.65 -0.31 0.00 0.00 175.10 176.01 2h6i h PRO 890 N 3.82 0.18 -0.04 4.82 0.11 -1.89 0.10 132.00 139.10 2h6i h PRO 890 Ca -0.48 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.63 2h6i h PRO 890 Cb 1.22 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2h6i h PRO 890 CO 0.68 0.12 0.10 0.93 -0.21 0.00 0.00 178.00 179.62 2h6i h GLU 891 N 0.19 0.00 -0.01 1.05 3.07 -1.96 -2.30 114.58 114.62 2h6i h GLU 891 Ca 0.75 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.61 2h6i h GLU 891 Cb 2.17 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 30.08 2h6i h GLU 891 CO -0.42 0.00 0.02 -0.91 -1.40 0.00 0.00 179.01 176.30 2h6i h ASN 892 N 0.00 0.00 -2.05 1.42 2.35 -1.11 -3.44 115.58 112.75 2h6i h ASN 892 Ca 0.02 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.14 2h6i h ASN 892 Cb 0.22 0.00 0.06 0.00 0.05 0.00 0.00 38.32 38.65 2h6i h ASN 892 CO -0.00 0.00 0.62 0.00 -1.65 0.00 0.00 177.43 176.40 2h6i n ALA 893 N -2.15 0.30 -2.50 -0.83 0.00 -0.87 -4.96 120.51 109.49 2h6i n ALA 893 Ca -0.03 0.47 -0.21 0.00 0.00 0.00 0.00 53.44 53.67 2h6i n ALA 893 Cb 0.09 -2.22 -0.04 0.00 0.00 0.00 0.00 19.45 17.29 2h6i n ALA 893 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2h6i s LEU 894 N 0.67 3.55 0.41 0.00 1.43 -1.26 -5.02 118.68 118.46 2h6i s LEU 894 Ca 0.80 -0.54 -0.24 0.00 -1.03 0.00 0.00 54.13 53.12 2h6i s LEU 894 Cb -0.80 -2.14 -0.08 0.00 0.03 0.00 0.00 46.19 43.20 2h6i s LEU 894 CO 0.43 -0.35 1.13 -1.10 0.23 0.00 0.00 176.35 176.69 2h6i s GLN 895 N -3.97 4.04 0.82 1.70 -1.52 -0.18 -4.99 119.66 115.56 2h6i s GLN 895 Ca 0.40 1.73 -0.11 0.00 -1.95 0.00 0.00 55.36 55.43 2h6i s GLN 895 Cb -0.05 -2.59 0.09 0.00 -0.22 0.00 0.00 33.01 30.23 2h6i s GLN 895 CO 0.26 -0.30 1.14 -1.25 -0.25 0.00 0.00 175.29 174.88 2h6i s PRO 896 N -2.41 1.75 0.01 2.91 0.04 -1.26 -4.84 135.00 131.21 2h6i s PRO 896 Ca 0.58 1.45 0.03 0.00 0.04 0.00 0.00 61.00 63.10 2h6i s PRO 896 Cb -0.28 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 2h6i s PRO 896 CO 0.35 -2.07 -0.10 -0.08 0.04 0.00 0.00 177.00 175.13 2h6i s THR 897 N -2.60 0.82 -0.13 1.26 -1.32 -1.26 -4.28 115.64 108.12 2h6i s THR 897 Ca 0.66 -0.68 -0.29 0.00 -1.21 0.00 0.00 61.69 60.17 2h6i s THR 897 Cb -0.22 -0.73 -0.02 0.00 -1.51 0.00 0.00 72.50 70.02 2h6i s THR 897 CO 0.54 0.06 1.28 -2.28 -2.21 0.00 0.00 174.62 172.00 2h6i s HIS 898 N -0.58 2.87 0.58 9.09 2.46 0.20 -4.80 115.29 125.11 2h6i s HIS 898 Ca 0.01 1.00 0.28 0.00 0.47 0.00 0.00 55.06 56.82 2h6i s HIS 898 Cb -0.06 -3.52 1.76 0.00 -0.13 0.00 0.00 32.58 30.64 2h6i s HIS 898 CO 0.00 -1.78 2.24 -1.00 -2.47 0.00 0.00 174.74 171.74 2h6i h PRO 899 N 8.10 0.00 0.00 2.88 0.13 -1.93 1.35 132.00 142.53 2h6i h PRO 899 Ca -0.29 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.76 2h6i h PRO 899 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2h6i h PRO 899 CO 0.95 0.00 -0.43 0.28 -0.23 0.00 0.00 178.00 178.57 2h6i h VAL 900 N 0.00 1.47 0.00 1.56 2.07 -1.94 -3.40 116.25 116.01 2h6i h VAL 900 Ca -0.00 -2.27 0.00 0.00 0.82 0.00 0.00 66.70 65.25 2h6i h VAL 900 Cb 0.00 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 2h6i h VAL 900 CO 0.00 0.50 -1.43 -1.22 0.02 0.00 0.00 177.57 175.44 2h6i n TYR 901 N -4.55 0.44 -3.52 1.57 4.02 -1.18 -4.98 117.16 108.95 2h6i n TYR 901 Ca -0.17 0.13 -0.22 0.00 -0.01 0.00 0.00 57.90 57.62 2h6i n TYR 901 Cb 0.54 -0.67 0.05 0.00 -0.02 0.00 0.00 39.34 39.24 2h6i n TYR 901 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2h6i n ASN 902 N -2.37 -4.40 -3.84 7.72 5.15 0.46 -4.98 115.26 113.00 2h6i n ASN 902 Ca -0.01 -0.83 -0.09 0.00 -0.60 0.00 0.00 54.58 53.04 2h6i n ASN 902 Cb 0.54 -4.32 -0.06 0.00 -0.53 0.00 0.00 39.78 35.40 2h6i n ASN 902 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2h6i s ILE 903 N -3.49 0.09 0.17 -1.44 -4.36 -1.25 -4.86 121.20 106.06 2h6i s ILE 903 Ca 0.31 -1.11 -0.32 0.00 -0.26 0.00 0.00 60.65 59.27 2h6i s ILE 903 Cb -0.07 -1.52 -0.16 0.00 1.25 0.00 0.00 42.46 41.95 2h6i s ILE 903 CO 0.80 -0.41 0.95 0.61 0.24 0.00 0.00 174.94 177.13 2h6i n GLY 904 N -0.17 -0.54 0.35 6.27 0.00 -1.26 -0.62 105.19 109.22 2h6i n GLY 904 Ca -0.12 0.48 0.02 0.00 0.00 0.00 0.00 46.02 46.40 2h6i n GLY 904 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2h6i h PRO 905 N 2.44 0.99 -0.60 1.61 0.11 -1.87 -0.95 132.00 133.72 2h6i h PRO 905 Ca -0.40 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 2h6i h PRO 905 Cb 1.38 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 2h6i h PRO 905 CO 0.64 0.65 0.32 0.38 -0.21 0.00 0.00 178.00 179.78 2h6i h ASP 906 N 1.02 0.76 -0.89 -2.05 2.03 -1.93 -1.96 116.42 113.40 2h6i h ASP 906 Ca 0.31 -0.11 -0.01 0.00 -0.73 0.00 0.00 57.03 56.48 2h6i h ASP 906 Cb -0.02 -0.20 -0.04 0.00 -0.83 0.00 0.00 39.33 38.24 2h6i h ASP 906 CO -0.08 0.65 0.50 0.11 -1.03 0.00 0.00 179.24 179.39 2h6i h LYS 907 N 0.82 1.23 -0.03 4.15 1.79 -1.53 -1.25 116.57 121.75 2h6i h LYS 907 Ca 0.21 -0.14 -0.00 0.00 -2.18 0.00 0.00 60.65 58.54 2h6i h LYS 907 Cb 0.07 -0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 30.48 2h6i h LYS 907 CO -0.03 0.89 0.01 0.28 -1.08 0.00 0.00 179.45 179.52 2h6i h VAL 908 N 1.24 1.10 -0.31 0.50 2.07 -0.97 -1.69 116.25 118.18 2h6i h VAL 908 Ca 0.31 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.56 2h6i h VAL 908 Cb 0.01 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2h6i h VAL 908 CO -0.05 0.08 0.21 0.40 0.02 0.00 0.00 177.57 178.22 2h6i h ILE 909 N -0.07 1.08 0.08 4.57 2.04 -1.19 -1.35 117.51 122.67 2h6i h ILE 909 Ca 0.01 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.73 2h6i h ILE 909 Cb 0.11 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2h6i h ILE 909 CO -0.00 0.08 -0.11 -0.61 0.00 0.00 0.00 178.15 177.51 2h6i h GLN 910 N 0.42 -0.22 0.52 2.37 4.15 -1.16 -1.40 115.11 119.79 2h6i h GLN 910 Ca 0.11 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 2h6i h GLN 910 Cb -0.05 0.05 0.01 0.00 0.21 0.00 0.00 27.48 27.70 2h6i h GLN 910 CO -0.02 -0.15 -0.25 0.00 -1.93 0.00 0.00 178.83 176.48 2h6i h ALA 911 N 0.67 -0.69 -0.98 3.38 0.00 -1.26 -0.82 119.26 119.56 2h6i h ALA 911 Ca 0.02 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.85 2h6i h ALA 911 Cb 0.24 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 2h6i h ALA 911 CO -0.06 -0.88 0.63 1.79 0.00 0.00 0.00 179.25 180.73 2h6i h THR 912 N -0.71 1.03 -0.09 0.00 1.35 -1.26 -0.63 112.91 112.59 2h6i h THR 912 Ca -0.07 -0.37 -0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2h6i h THR 912 Cb 0.54 -0.16 -0.00 0.00 -1.73 0.00 0.00 68.15 66.80 2h6i h THR 912 CO 0.12 0.20 0.05 0.74 -0.25 0.00 0.00 175.52 176.38 2h6i h THR 913 N 1.09 1.08 0.20 6.82 2.02 -1.08 0.16 112.91 123.21 2h6i h THR 913 Ca 0.44 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.39 2h6i h THR 913 Cb 0.26 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 2h6i h THR 913 CO -0.20 0.07 -0.31 0.22 0.37 0.00 0.00 175.52 175.67 2h6i h TYR 914 N 0.06 -0.89 0.00 3.16 3.20 -0.43 -3.02 116.97 119.05 2h6i h TYR 914 Ca 0.03 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 2h6i h TYR 914 Cb 0.07 0.36 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 2h6i h TYR 914 CO -0.05 -0.39 -0.07 0.74 -1.64 0.00 0.00 178.16 176.76 2h6i h PHE 915 N -0.54 0.00 0.00 -3.82 -1.00 -1.12 -0.92 116.94 109.53 2h6i h PHE 915 Ca -0.02 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.74 2h6i h PHE 915 Cb 0.50 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.06 2h6i h PHE 915 CO -0.28 0.07 -0.06 -0.07 -1.61 0.00 0.00 178.31 176.37 2h6i h LEU 916 N 0.00 0.00 0.00 1.54 3.38 -0.83 -0.32 115.31 119.09 2h6i h LEU 916 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2h6i h LEU 916 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2h6i h LEU 916 CO 0.01 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.60 2h6i n GLN 917 N -3.63 0.06 -4.13 1.13 6.02 -0.35 -4.72 117.38 111.76 2h6i n GLN 917 Ca -0.02 0.14 -0.28 0.00 -0.01 0.00 0.00 57.00 56.82 2h6i n GLN 917 Cb 0.16 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 29.85 2h6i n GLN 917 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2h6i s LYS 918 N -2.92 2.64 0.65 -1.09 1.02 -0.13 -5.10 119.74 114.80 2h6i s LYS 918 Ca 0.12 -0.90 -0.12 0.00 0.02 0.00 0.00 55.97 55.09 2h6i s LYS 918 Cb 0.14 -2.54 -0.02 0.00 -0.52 0.00 0.00 37.83 34.89 2h6i s LYS 918 CO 0.36 0.51 1.04 -1.25 -0.92 0.00 0.00 175.35 175.09 2h6i s PRO 919 N -2.70 3.27 -0.00 -1.68 0.04 -1.26 -4.98 135.00 127.68 2h6i s PRO 919 Ca 0.28 0.92 -0.30 0.00 0.04 0.00 0.00 61.00 61.94 2h6i s PRO 919 Cb -0.11 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 2h6i s PRO 919 CO 0.20 -0.83 1.34 0.08 0.04 0.00 0.00 177.00 177.83 2h6i s VAL 920 N -2.99 3.84 -0.54 -0.36 1.01 -1.26 -4.85 120.40 115.25 2h6i s VAL 920 Ca 0.58 1.22 -0.41 0.00 0.00 0.00 0.00 61.98 63.37 2h6i s VAL 920 Cb -0.13 -3.78 -0.18 0.00 0.00 0.00 0.00 36.38 32.28 2h6i s VAL 920 CO 0.51 0.01 2.22 -2.65 0.00 0.00 0.00 175.10 175.19 2h6i n PRO 921 N 5.18 0.17 -2.21 2.72 -0.02 -1.26 -1.24 135.00 138.34 2h6i n PRO 921 Ca 0.12 0.04 -0.21 0.00 -2.02 0.00 0.00 63.50 61.44 2h6i n PRO 921 Cb 0.44 -1.66 -0.03 0.00 -0.02 0.00 0.00 33.50 32.23 2h6i n PRO 921 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h6i n GLY 922 N 7.22 0.09 2.98 -1.23 0.00 -1.26 -4.98 105.19 108.00 2h6i n GLY 922 Ca 0.54 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.46 2h6i n GLY 922 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2h6i s PHE 923 N -2.98 0.29 0.00 1.61 5.36 -0.37 -5.25 117.98 116.63 2h6i s PHE 923 Ca 0.00 -0.52 0.00 0.00 -0.96 0.00 0.00 56.93 55.45 2h6i s PHE 923 Cb 0.00 -0.20 0.00 0.00 -0.34 0.00 0.00 43.02 42.48 2h6i s PHE 923 CO 0.00 -0.18 0.07 0.39 -1.46 0.00 0.00 175.22 174.04