#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h9f n GLN 516 N 0.00 1.00 -3.92 3.97 6.02 -1.26 -5.01 117.38 118.18 3h9f n GLN 516 Ca 0.00 -2.47 -0.09 0.00 -0.01 0.00 0.00 57.00 54.43 3h9f n GLN 516 Cb 0.00 0.41 -0.06 0.00 1.02 0.00 0.00 30.24 31.61 3h9f n GLN 516 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3h9f s SER 517 N -3.15 -0.06 -0.02 1.08 1.04 -1.26 -1.72 113.70 109.61 3h9f s SER 517 Ca 0.14 -0.80 -0.16 0.00 0.48 0.00 0.00 55.95 55.61 3h9f s SER 517 Cb -0.01 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.64 3h9f s SER 517 CO 0.09 -0.98 0.34 -0.04 0.98 0.00 0.00 173.24 173.63 3h9f s MET 518 N -3.96 0.70 -0.26 4.02 1.00 0.14 -4.93 119.30 116.00 3h9f s MET 518 Ca 0.17 -0.15 -0.05 0.00 0.00 0.00 0.00 55.69 55.65 3h9f s MET 518 Cb 0.02 0.31 0.00 0.00 0.00 0.00 0.00 34.83 35.16 3h9f s MET 518 CO 0.02 -0.19 0.03 0.45 0.00 0.00 0.00 175.02 175.32 3h9f s SER 519 N -1.31 4.79 -0.21 3.03 0.15 -1.26 0.35 113.70 119.25 3h9f s SER 519 Ca -0.13 -0.57 -0.00 0.00 0.70 0.00 0.00 55.95 55.94 3h9f s SER 519 Cb -0.05 -1.82 0.02 0.00 -1.71 0.00 0.00 66.02 62.46 3h9f s SER 519 CO 0.05 -0.11 -0.13 -0.69 1.20 0.00 0.00 173.24 173.55 3h9f s VAL 520 N 1.49 2.48 -1.14 4.45 1.01 -0.46 -4.80 120.40 123.43 3h9f s VAL 520 Ca 0.04 -0.96 -0.24 0.00 0.00 0.00 0.00 61.98 60.82 3h9f s VAL 520 Cb -0.16 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.07 3h9f s VAL 520 CO 0.00 0.38 0.75 0.29 0.00 0.00 0.00 175.10 176.53 3h9f n LYS 521 N 4.64 -0.93 0.00 2.72 4.76 -1.26 -1.93 118.16 126.15 3h9f n LYS 521 Ca -0.19 0.38 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 3h9f n LYS 521 Cb 0.49 -3.59 0.00 0.00 -1.84 0.00 0.00 35.03 30.08 3h9f n LYS 521 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h9f n GLY 522 N -1.80 2.05 3.77 0.72 0.00 -1.26 -4.96 105.19 103.70 3h9f n GLY 522 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 3h9f n GLY 522 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h9f s ARG 523 N 0.00 4.36 -0.05 1.61 0.52 -0.82 -5.03 118.95 119.54 3h9f s ARG 523 Ca 0.00 0.84 -0.17 0.00 -0.52 0.00 0.00 55.73 55.88 3h9f s ARG 523 Cb 0.00 -3.33 -0.05 0.00 0.52 0.00 0.00 34.95 32.09 3h9f s ARG 523 CO 0.00 0.40 0.46 0.42 0.02 0.00 0.00 175.30 176.60 3h9f s ILE 524 N -0.36 5.07 -0.06 1.52 1.01 -1.26 -1.35 121.20 125.76 3h9f s ILE 524 Ca 0.33 0.94 0.03 0.00 0.00 0.00 0.00 60.65 61.95 3h9f s ILE 524 Cb -0.19 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 38.50 3h9f s ILE 524 CO 0.19 0.45 -0.15 -0.31 0.00 0.00 0.00 174.94 175.13 3h9f s TYR 525 N -0.23 1.59 -0.16 3.97 2.02 0.16 -3.57 117.35 121.12 3h9f s TYR 525 Ca 0.25 -0.54 -0.11 0.00 -0.37 0.00 0.00 57.07 56.30 3h9f s TYR 525 Cb -0.16 -1.12 -0.05 0.00 -0.40 0.00 0.00 41.96 40.23 3h9f s TYR 525 CO 0.12 -0.24 0.19 -1.54 -1.57 0.00 0.00 175.55 172.52 3h9f s SER 526 N 0.40 6.34 -0.13 2.29 1.04 0.63 0.25 113.70 124.52 3h9f s SER 526 Ca -0.11 0.40 -0.28 0.00 0.48 0.00 0.00 55.95 56.44 3h9f s SER 526 Cb -0.14 -2.12 -0.01 0.00 0.10 0.00 0.00 66.02 63.85 3h9f s SER 526 CO 0.03 0.21 0.96 -0.63 0.98 0.00 0.00 173.24 174.79 3h9f s ILE 527 N 0.05 4.80 -0.13 -1.02 1.01 -0.70 0.01 121.20 125.22 3h9f s ILE 527 Ca 0.13 1.92 -0.11 0.00 0.00 0.00 0.00 60.65 62.59 3h9f s ILE 527 Cb -0.12 -4.26 -0.09 0.00 0.01 0.00 0.00 42.46 38.00 3h9f s ILE 527 CO 0.02 -0.00 0.15 -0.07 0.00 0.00 0.00 174.94 175.03 3h9f h LEU 528 N 8.22 0.00 -7.05 2.97 3.38 -0.55 -3.30 115.31 118.97 3h9f h LEU 528 Ca -0.29 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.34 3h9f h LEU 528 Cb 1.13 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.71 3h9f h LEU 528 CO 0.86 0.79 0.15 -1.59 0.09 0.00 0.00 178.44 178.74 3h9f s LYS 529 N -1.95 1.07 -0.13 1.13 -2.85 -1.09 -4.67 119.74 111.25 3h9f s LYS 529 Ca -0.11 0.06 -0.29 0.00 -1.00 0.00 0.00 55.97 54.62 3h9f s LYS 529 Cb 0.01 0.50 -0.02 0.00 -2.06 0.00 0.00 37.83 36.26 3h9f s LYS 529 CO 0.27 -0.36 1.25 -1.14 0.10 0.00 0.00 175.35 175.47 3h9f s GLN 530 N -1.76 4.26 -0.07 1.78 0.74 -1.26 -0.72 119.66 122.62 3h9f s GLN 530 Ca -0.08 1.67 -0.10 0.00 0.05 0.00 0.00 55.36 56.90 3h9f s GLN 530 Cb -0.01 -3.71 -0.29 0.00 1.10 0.00 0.00 33.01 30.10 3h9f s GLN 530 CO 0.05 -0.64 0.57 0.82 -0.55 0.00 0.00 175.29 175.53 3h9f h ILE 531 N 5.36 0.84 -2.43 -2.34 2.04 -1.24 -3.45 117.51 116.28 3h9f h ILE 531 Ca -0.29 -2.45 0.18 0.00 1.00 0.00 0.00 64.86 63.30 3h9f h ILE 531 Cb 1.12 2.68 -0.05 0.00 -0.74 0.00 0.00 36.82 39.83 3h9f h ILE 531 CO 0.95 0.87 0.57 -0.83 0.00 0.00 0.00 178.15 179.71 3h9f s GLY 532 N -5.26 -0.00 0.14 5.37 0.00 -1.12 -1.74 107.32 104.70 3h9f s GLY 532 Ca -0.18 -0.17 -0.25 0.00 0.00 0.00 0.00 44.72 44.12 3h9f s GLY 532 CO 0.82 1.72 0.82 -1.35 0.00 0.00 0.00 173.10 175.11 3h9f s SER 533 N -3.27 -0.33 0.00 1.64 1.04 -0.68 -0.06 113.70 112.04 3h9f s SER 533 Ca 0.19 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.37 3h9f s SER 533 Cb -0.02 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.63 3h9f s SER 533 CO 0.04 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.94 3h9f n GLY 534 N -0.39 4.95 3.19 7.32 0.00 -0.09 -1.68 105.19 118.50 3h9f n GLY 534 Ca -0.09 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 3h9f n GLY 534 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h9f s GLY 535 N 0.00 -0.27 -0.83 -0.02 0.00 -1.26 -4.11 107.32 100.83 3h9f s GLY 535 Ca 0.00 1.34 -0.01 0.00 0.00 0.00 0.00 44.72 46.05 3h9f s GLY 535 CO 0.00 1.93 1.85 1.44 0.00 0.00 0.00 173.10 178.31 3h9f n SER 536 N 4.85 7.07 -4.73 1.64 7.64 -1.26 -5.01 113.62 123.82 3h9f n SER 536 Ca -0.15 -3.79 -0.30 0.00 1.01 0.00 0.00 58.87 55.64 3h9f n SER 536 Cb 0.52 -1.00 -0.07 0.00 -1.01 0.00 0.00 64.21 62.65 3h9f n SER 536 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3h9f s SER 537 N -1.50 5.23 -0.01 6.43 0.01 -1.26 -0.71 113.70 121.88 3h9f s SER 537 Ca 0.49 -0.13 -0.05 0.00 1.31 0.00 0.00 55.95 57.57 3h9f s SER 537 Cb 0.38 -1.31 0.00 0.00 0.21 0.00 0.00 66.02 65.31 3h9f s SER 537 CO -0.33 0.16 0.11 -0.54 0.41 0.00 0.00 173.24 173.05 3h9f s LYS 538 N -2.47 0.33 -0.07 12.44 1.02 0.02 -0.91 119.74 130.10 3h9f s LYS 538 Ca 0.28 -0.21 0.05 0.00 0.02 0.00 0.00 55.97 56.11 3h9f s LYS 538 Cb -0.12 0.14 -0.01 0.00 -0.52 0.00 0.00 37.83 37.32 3h9f s LYS 538 CO 0.20 -0.07 -0.23 0.08 -0.92 0.00 0.00 175.35 174.41 3h9f s VAL 539 N -0.85 2.24 0.15 3.17 1.01 0.91 -0.34 120.40 126.70 3h9f s VAL 539 Ca -0.09 -0.99 0.11 0.00 0.00 0.00 0.00 61.98 61.01 3h9f s VAL 539 Cb -0.05 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3h9f s VAL 539 CO 0.01 0.57 -0.26 -0.36 0.00 0.00 0.00 175.10 175.05 3h9f s PHE 540 N -0.09 2.31 -0.22 5.22 0.08 0.38 -0.69 117.98 124.96 3h9f s PHE 540 Ca -0.05 -0.37 -0.10 0.00 0.12 0.00 0.00 56.93 56.53 3h9f s PHE 540 Cb -0.14 -1.22 -0.05 0.00 -0.57 0.00 0.00 43.02 41.04 3h9f s PHE 540 CO 0.04 0.39 0.13 -1.14 -0.10 0.00 0.00 175.22 174.55 3h9f s GLN 541 N -2.26 4.07 0.26 0.44 0.74 0.10 -1.21 119.66 121.79 3h9f s GLN 541 Ca 0.16 -0.28 0.01 0.00 0.05 0.00 0.00 55.36 55.31 3h9f s GLN 541 Cb -0.09 -3.45 -0.05 0.00 1.10 0.00 0.00 33.01 30.51 3h9f s GLN 541 CO 0.07 0.14 0.11 0.14 -0.55 0.00 0.00 175.29 175.20 3h9f s VAL 542 N 0.81 0.47 0.04 1.34 -7.23 0.12 0.22 120.40 116.17 3h9f s VAL 542 Ca 0.07 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.31 3h9f s VAL 542 Cb -0.13 -2.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 3h9f s VAL 542 CO 0.02 0.00 -0.19 -0.76 -0.31 0.00 0.00 175.10 173.86 3h9f s LEU 543 N -3.30 2.17 0.00 1.32 1.43 0.10 -1.12 118.68 119.28 3h9f s LEU 543 Ca 0.38 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 3h9f s LEU 543 Cb 0.07 -0.88 0.09 0.00 0.03 0.00 0.00 46.19 45.50 3h9f s LEU 543 CO 0.14 0.13 0.57 -0.46 0.23 0.00 0.00 176.35 176.96 3h9f n ASN 544 N 1.86 0.63 0.26 2.29 0.23 -0.64 -0.27 115.26 119.62 3h9f n ASN 544 Ca -0.17 -1.56 0.10 0.00 -0.53 0.00 0.00 54.58 52.42 3h9f n ASN 544 Cb 0.54 -0.38 0.70 0.00 -2.08 0.00 0.00 39.78 38.56 3h9f n ASN 544 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3h9f h GLU 545 N 0.00 0.00 -0.48 -3.83 9.09 -1.92 -0.84 114.58 116.60 3h9f h GLU 545 Ca -0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.22 3h9f h GLU 545 Cb 0.66 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.76 3h9f h GLU 545 CO 0.19 0.07 0.00 1.63 0.05 0.00 0.00 179.01 180.95 3h9f n LYS 546 N -4.12 2.01 -3.15 1.06 5.02 -1.26 -4.91 118.16 112.81 3h9f n LYS 546 Ca -0.03 -1.17 -0.23 0.00 -2.02 0.00 0.00 58.31 54.87 3h9f n LYS 546 Cb 0.15 -1.43 0.05 0.00 -0.02 0.00 0.00 35.03 33.78 3h9f n LYS 546 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3h9f n LYS 547 N 0.35 -5.64 -4.05 1.97 4.01 -0.32 -5.00 118.16 109.48 3h9f n LYS 547 Ca 0.11 0.89 -0.30 0.00 -0.51 0.00 0.00 58.31 58.50 3h9f n LYS 547 Cb 0.39 -5.79 -0.06 0.00 -0.51 0.00 0.00 35.03 29.05 3h9f n LYS 547 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 3h9f s GLN 548 N -5.84 2.89 -0.17 1.97 -0.21 -1.26 -4.82 119.66 112.21 3h9f s GLN 548 Ca 0.37 -0.70 -0.20 0.00 0.02 0.00 0.00 55.36 54.85 3h9f s GLN 548 Cb -0.16 -2.73 -0.03 0.00 1.00 0.00 0.00 33.01 31.09 3h9f s GLN 548 CO 0.46 0.56 0.57 -1.50 -2.12 0.00 0.00 175.29 173.26 3h9f s ILE 549 N -1.42 5.08 0.32 1.08 2.07 -1.26 -1.62 121.20 125.45 3h9f s ILE 549 Ca 0.29 1.10 0.06 0.00 -1.41 0.00 0.00 60.65 60.69 3h9f s ILE 549 Cb -0.12 -3.90 -0.03 0.00 0.13 0.00 0.00 42.46 38.54 3h9f s ILE 549 CO 0.22 0.18 0.24 -0.31 -1.91 0.00 0.00 174.94 173.36 3h9f s TYR 550 N 1.51 1.68 0.14 3.50 2.02 -0.27 -4.69 117.35 121.23 3h9f s TYR 550 Ca 0.28 -1.58 0.10 0.00 -0.37 0.00 0.00 57.07 55.50 3h9f s TYR 550 Cb -0.16 -0.76 -0.04 0.00 -0.40 0.00 0.00 41.96 40.61 3h9f s TYR 550 CO 0.11 -0.76 -0.23 0.00 -1.57 0.00 0.00 175.55 173.09 3h9f s ALA 551 N -3.51 2.51 -0.09 3.71 0.00 0.23 -0.71 121.76 123.91 3h9f s ALA 551 Ca 0.38 -1.46 0.01 0.00 0.00 0.00 0.00 51.96 50.89 3h9f s ALA 551 Cb 0.03 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.70 3h9f s ALA 551 CO 0.24 0.54 -0.08 0.42 0.00 0.00 0.00 175.76 176.87 3h9f s ILE 552 N -1.19 0.99 -0.15 0.00 1.01 -0.35 -0.03 121.20 121.48 3h9f s ILE 552 Ca 0.16 -0.32 -0.13 0.00 0.00 0.00 0.00 60.65 60.36 3h9f s ILE 552 Cb -0.10 -0.98 -0.05 0.00 0.01 0.00 0.00 42.46 41.34 3h9f s ILE 552 CO 0.08 0.35 0.29 -0.75 0.00 0.00 0.00 174.94 174.90 3h9f s LYS 553 N 1.32 4.17 -0.12 2.79 2.20 -0.37 -0.47 119.74 129.26 3h9f s LYS 553 Ca -0.03 0.09 0.03 0.00 -0.36 0.00 0.00 55.97 55.71 3h9f s LYS 553 Cb -0.14 -3.39 0.01 0.00 -1.51 0.00 0.00 37.83 32.79 3h9f s LYS 553 CO -0.04 0.31 -0.22 -0.47 -0.36 0.00 0.00 175.35 174.57 3h9f s TYR 554 N 0.25 2.63 -0.10 4.03 5.04 0.54 -1.21 117.35 128.54 3h9f s TYR 554 Ca 0.17 -1.21 0.04 0.00 -2.44 0.00 0.00 57.07 53.62 3h9f s TYR 554 Cb -0.13 -1.78 -0.00 0.00 0.35 0.00 0.00 41.96 40.40 3h9f s TYR 554 CO 0.04 -0.53 -0.22 0.08 -1.34 0.00 0.00 175.55 173.58 3h9f s VAL 555 N 0.62 2.22 -0.34 3.14 1.01 -0.73 -0.80 120.40 125.52 3h9f s VAL 555 Ca -0.12 -0.97 -0.18 0.00 0.00 0.00 0.00 61.98 60.71 3h9f s VAL 555 Cb -0.16 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 3h9f s VAL 555 CO 0.03 0.56 0.52 0.21 0.00 0.00 0.00 175.10 176.42 3h9f s ASN 556 N 0.22 6.34 0.00 3.32 3.84 0.11 -1.82 114.94 126.95 3h9f s ASN 556 Ca -0.14 0.05 0.26 0.00 0.21 0.00 0.00 52.86 53.23 3h9f s ASN 556 Cb -0.17 -2.27 0.62 0.00 -0.55 0.00 0.00 41.25 38.88 3h9f s ASN 556 CO 0.07 -0.47 1.49 0.18 -2.79 0.00 0.00 177.10 175.58 3h9f n LEU 557 N 5.75 0.57 0.13 3.21 4.77 -0.54 -4.52 117.00 126.36 3h9f n LEU 557 Ca -0.04 -0.02 0.12 0.00 -0.03 0.00 0.00 56.01 56.04 3h9f n LEU 557 Cb 0.49 -0.24 0.26 0.00 -2.33 0.00 0.00 43.42 41.60 3h9f n LEU 557 CO 0.45 0.13 1.11 -0.33 -1.33 0.00 0.00 177.39 177.42 3h9f h GLU 558 N 0.24 0.00 0.00 3.23 5.08 -1.82 0.17 114.58 121.48 3h9f h GLU 558 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h9f h GLU 558 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3h9f h GLU 558 CO 0.00 0.00 0.00 -1.91 -1.00 0.00 0.00 179.01 176.10 3h9f n GLU 559 N -2.86 1.13 -2.34 2.33 2.13 -1.26 -5.07 120.64 114.69 3h9f n GLU 559 Ca 0.08 -0.90 -0.42 0.00 0.66 0.00 0.00 57.16 56.58 3h9f n GLU 559 Cb 1.12 -0.84 -0.03 0.00 0.27 0.00 0.00 31.44 31.96 3h9f n GLU 559 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3h9f s ALA 560 N -0.45 3.51 0.66 4.31 0.00 0.60 -5.04 121.76 125.35 3h9f s ALA 560 Ca 0.00 0.82 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 3h9f s ALA 560 Cb 0.00 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 3h9f s ALA 560 CO 0.00 -0.72 1.05 0.16 0.00 0.00 0.00 175.76 176.25 3h9f s ASP 561 N 1.48 5.71 0.22 0.00 -4.77 -1.26 -4.76 116.67 113.29 3h9f s ASP 561 Ca 0.60 1.56 -0.19 0.00 -3.30 0.00 0.00 52.55 51.23 3h9f s ASP 561 Cb -0.29 -2.49 0.20 0.00 -1.09 0.00 0.00 42.92 39.25 3h9f s ASP 561 CO 0.26 -1.22 1.56 0.78 0.70 0.00 0.00 175.17 177.25 3h9f h ASN 562 N -0.49 -1.39 -0.93 2.11 2.35 -1.98 0.18 115.58 115.42 3h9f h ASN 562 Ca -0.44 0.29 0.13 0.00 -0.55 0.00 0.00 56.30 55.74 3h9f h ASN 562 Cb 1.20 0.72 -0.09 0.00 0.05 0.00 0.00 38.32 40.21 3h9f h ASN 562 CO 0.59 -0.29 0.55 1.56 -1.65 0.00 0.00 177.43 178.18 3h9f h GLN 563 N -0.04 0.80 -0.03 0.81 7.50 -1.99 0.14 115.11 122.30 3h9f h GLN 563 Ca 0.31 -0.05 -0.21 0.00 0.50 0.00 0.00 58.65 59.21 3h9f h GLN 563 Cb 0.58 -0.18 0.02 0.00 0.05 0.00 0.00 27.48 27.95 3h9f h GLN 563 CO -0.91 0.53 -0.79 1.15 -1.50 0.00 0.00 178.83 177.30 3h9f h THR 564 N 0.82 1.34 -0.15 -0.54 2.02 -1.15 -0.80 112.91 114.45 3h9f h THR 564 Ca 0.48 -2.11 0.05 0.00 0.77 0.00 0.00 66.41 65.60 3h9f h THR 564 Cb 0.58 2.41 -0.06 0.00 -1.74 0.00 0.00 68.15 69.34 3h9f h THR 564 CO -0.31 0.64 -0.25 -0.07 0.37 0.00 0.00 175.52 175.90 3h9f h LEU 565 N 0.19 -0.79 -0.84 2.58 3.38 -0.40 -1.21 115.31 118.22 3h9f h LEU 565 Ca -0.09 0.13 0.11 0.00 0.09 0.00 0.00 57.88 58.12 3h9f h LEU 565 Cb 1.47 0.35 -0.08 0.00 0.09 0.00 0.00 40.66 42.49 3h9f h LEU 565 CO 0.16 -0.30 0.47 0.44 0.09 0.00 0.00 178.44 179.29 3h9f h ASP 566 N -0.31 0.64 -0.39 -0.43 3.32 -0.63 -0.94 116.42 117.69 3h9f h ASP 566 Ca 0.11 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.23 3h9f h ASP 566 Cb 0.47 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3h9f h ASP 566 CO -0.33 0.34 0.25 0.77 -1.72 0.00 0.00 179.24 178.55 3h9f h SER 567 N 0.75 0.42 0.20 6.45 4.64 -0.24 0.47 113.55 126.24 3h9f h SER 567 Ca 0.42 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.65 3h9f h SER 567 Cb 0.45 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3h9f h SER 567 CO -0.28 0.30 -0.33 1.88 -0.87 0.00 0.00 176.83 177.53 3h9f h TYR 568 N 0.51 0.22 -0.49 4.77 0.05 -0.49 -2.49 116.97 119.04 3h9f h TYR 568 Ca 0.15 -0.05 -0.09 0.00 0.05 0.00 0.00 58.73 58.79 3h9f h TYR 568 Cb -0.04 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 37.63 3h9f h TYR 568 CO -0.06 0.50 -0.05 0.00 -1.05 0.00 0.00 178.16 177.51 3h9f h ARG 569 N 0.17 0.90 -0.12 4.88 3.08 -0.62 -2.71 114.38 119.96 3h9f h ARG 569 Ca 0.02 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.76 3h9f h ARG 569 Cb 0.67 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 3h9f h ARG 569 CO 0.05 0.96 0.07 -0.97 -1.07 0.00 0.00 179.97 179.01 3h9f h ASN 570 N 0.75 0.14 0.54 7.04 -0.73 -0.59 -1.61 115.58 121.13 3h9f h ASN 570 Ca 0.13 -0.03 -0.02 0.00 1.87 0.00 0.00 56.30 58.25 3h9f h ASN 570 Cb 0.58 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 39.13 3h9f h ASN 570 CO 0.03 0.13 -0.39 -0.33 -0.37 0.00 0.00 177.43 176.51 3h9f h GLU 571 N 0.14 -0.87 -0.84 6.67 4.39 -1.48 0.13 114.58 122.73 3h9f h GLU 571 Ca 0.04 0.06 0.18 0.00 0.34 0.00 0.00 59.36 59.98 3h9f h GLU 571 Cb 0.01 0.20 -0.11 0.00 -0.10 0.00 0.00 28.75 28.75 3h9f h GLU 571 CO -0.01 -0.58 0.35 0.82 -1.16 0.00 0.00 179.01 178.44 3h9f h ILE 572 N -0.90 0.58 0.14 3.13 2.04 -1.38 0.57 117.51 121.68 3h9f h ILE 572 Ca -0.06 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 3h9f h ILE 572 Cb 0.75 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3h9f h ILE 572 CO 0.03 0.08 -0.07 0.00 0.00 0.00 0.00 178.15 178.19 3h9f h ALA 573 N 1.63 -0.18 0.13 1.87 0.00 -0.77 -0.35 119.26 121.58 3h9f h ALA 573 Ca 0.49 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 3h9f h ALA 573 Cb 0.83 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3h9f h ALA 573 CO -0.46 -0.57 -0.06 1.88 0.00 0.00 0.00 179.25 180.04 3h9f h TYR 574 N -0.26 -0.16 -1.00 0.00 -1.99 0.73 -0.95 116.97 113.33 3h9f h TYR 574 Ca -0.02 -0.00 0.26 0.00 2.00 0.00 0.00 58.73 60.97 3h9f h TYR 574 Cb 0.20 0.05 -0.13 0.00 2.00 0.00 0.00 36.73 38.86 3h9f h TYR 574 CO -0.05 0.04 0.59 1.25 -0.00 0.00 0.00 178.16 180.00 3h9f h LEU 575 N -0.35 0.65 -0.04 3.88 5.85 0.08 0.33 115.31 125.71 3h9f h LEU 575 Ca -0.02 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 3h9f h LEU 575 Cb 0.28 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 3h9f h LEU 575 CO 0.03 0.06 0.01 -1.13 -0.34 0.00 0.00 178.44 177.07 3h9f h ASN 576 N 0.53 0.06 -0.29 1.25 -1.24 -0.62 -3.15 115.58 112.12 3h9f h ASN 576 Ca 0.66 -0.25 -0.05 0.00 0.71 0.00 0.00 56.30 57.37 3h9f h ASN 576 Cb 1.31 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 40.34 3h9f h ASN 576 CO -0.50 0.29 -0.03 0.50 -1.29 0.00 0.00 177.43 176.40 3h9f h LYS 577 N -0.18 0.54 0.00 6.67 1.63 0.77 -3.11 116.57 122.89 3h9f h LYS 577 Ca 0.01 -0.19 -0.03 0.00 -0.85 0.00 0.00 60.65 59.60 3h9f h LYS 577 Cb 0.26 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.84 3h9f h LYS 577 CO 0.00 0.71 -0.13 -0.07 -3.45 0.00 0.00 179.45 176.51 3h9f h LEU 578 N 0.31 0.00 -0.81 5.20 3.38 -0.63 -3.01 115.31 119.76 3h9f h LEU 578 Ca 0.08 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.18 3h9f h LEU 578 Cb 0.49 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.10 3h9f h LEU 578 CO 0.02 0.13 -0.38 1.56 0.09 0.00 0.00 178.44 179.86 3h9f h GLN 579 N 0.00 -0.08 0.00 1.13 1.08 -1.49 -1.91 115.11 113.84 3h9f h GLN 579 Ca -0.00 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 3h9f h GLN 579 Cb 0.38 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.83 3h9f h GLN 579 CO 0.02 -0.05 -0.03 1.96 -0.95 0.00 0.00 178.83 179.77 3h9f h GLN 580 N -0.08 0.00 0.00 1.46 7.50 -1.71 -3.15 115.11 119.13 3h9f h GLN 580 Ca 0.28 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.43 3h9f h GLN 580 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.10 3h9f h GLN 580 CO -0.84 0.03 -1.04 0.72 -1.50 0.00 0.00 178.83 176.20 3h9f n HIS 581 N -4.37 0.00 -3.64 2.96 8.25 -0.75 -4.96 115.22 112.72 3h9f n HIS 581 Ca -0.03 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.36 3h9f n HIS 581 Cb 0.11 -0.07 -0.07 0.00 1.12 0.00 0.00 29.99 31.09 3h9f n HIS 581 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3h9f s SER 582 N -2.99 -0.48 -0.11 0.41 0.15 -1.02 -5.02 113.70 104.63 3h9f s SER 582 Ca 0.05 0.87 0.07 0.00 0.70 0.00 0.00 55.95 57.64 3h9f s SER 582 Cb 0.14 1.00 0.39 0.00 -1.71 0.00 0.00 66.02 65.84 3h9f s SER 582 CO 0.78 -0.15 1.11 -0.90 1.20 0.00 0.00 173.24 175.29 3h9f n ASP 583 N 2.77 3.21 -1.32 5.45 5.68 -1.26 -3.76 116.55 127.32 3h9f n ASP 583 Ca -0.15 -2.42 0.04 0.00 -0.50 0.00 0.00 54.79 51.76 3h9f n ASP 583 Cb 0.57 -0.57 0.29 0.00 -1.14 0.00 0.00 41.12 40.26 3h9f n ASP 583 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3h9f n LYS 584 N 0.32 3.30 -4.99 0.11 4.76 -1.26 -4.84 118.16 115.55 3h9f n LYS 584 Ca 0.13 -2.99 -0.32 0.00 -2.87 0.00 0.00 58.31 52.26 3h9f n LYS 584 Cb 0.68 -1.99 -0.15 0.00 -1.84 0.00 0.00 35.03 31.73 3h9f n LYS 584 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3h9f s ILE 585 N -2.91 2.70 0.16 -0.18 -1.09 -1.25 0.18 121.20 118.82 3h9f s ILE 585 Ca 0.47 -0.83 -0.34 0.00 -2.23 0.00 0.00 60.65 57.73 3h9f s ILE 585 Cb 0.38 -2.06 -0.15 0.00 -1.58 0.00 0.00 42.46 39.05 3h9f s ILE 585 CO 0.10 0.57 1.26 0.00 -1.23 0.00 0.00 174.94 175.64 3h9f n ILE 586 N 2.87 0.64 -2.72 2.92 3.06 -0.82 -4.83 119.36 120.47 3h9f n ILE 586 Ca -0.17 -0.16 -0.40 0.00 -2.50 0.00 0.00 62.75 59.51 3h9f n ILE 586 Cb 0.52 -0.97 -0.05 0.00 0.54 0.00 0.00 39.64 39.68 3h9f n ILE 586 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 3h9f s ARG 587 N -0.10 4.79 -0.17 9.51 0.52 -1.26 -4.94 118.95 127.29 3h9f s ARG 587 Ca 0.75 1.50 -0.06 0.00 -0.52 0.00 0.00 55.73 57.41 3h9f s ARG 587 Cb -0.84 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 31.29 3h9f s ARG 587 CO 0.50 0.39 0.01 -1.17 0.02 0.00 0.00 175.30 175.04 3h9f s LEU 588 N -0.75 3.51 -0.24 2.53 2.96 -1.26 -2.04 118.68 123.38 3h9f s LEU 588 Ca 0.43 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 54.33 3h9f s LEU 588 Cb -0.25 -1.87 -0.17 0.00 0.50 0.00 0.00 46.19 44.40 3h9f s LEU 588 CO 0.32 0.16 -0.20 -1.22 -1.32 0.00 0.00 176.35 174.09 3h9f n TYR 589 N 3.60 0.00 -3.46 5.38 4.01 0.74 -4.99 117.16 122.44 3h9f n TYR 589 Ca -0.17 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.47 3h9f n TYR 589 Cb 0.52 -0.95 -0.02 0.00 -0.31 0.00 0.00 39.34 38.59 3h9f n TYR 589 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3h9f s ASP 590 N -6.31 -0.47 0.04 7.72 -1.08 -1.22 -5.01 116.67 110.33 3h9f s ASP 590 Ca -0.31 0.00 -0.19 0.00 -0.52 0.00 0.00 52.55 51.52 3h9f s ASP 590 Cb 0.08 0.50 0.04 0.00 -1.46 0.00 0.00 42.92 42.08 3h9f s ASP 590 CO 0.58 -0.81 0.44 -0.72 0.52 0.00 0.00 175.17 175.19 3h9f s TYR 591 N -3.45 -0.32 -0.05 -5.34 -0.85 -1.26 -0.29 117.35 105.79 3h9f s TYR 591 Ca 0.03 0.33 0.04 0.00 -0.52 0.00 0.00 57.07 56.95 3h9f s TYR 591 Cb -0.01 0.25 -0.00 0.00 0.38 0.00 0.00 41.96 42.57 3h9f s TYR 591 CO -0.11 -0.58 -0.18 -2.00 -1.52 0.00 0.00 175.55 171.16 3h9f s GLU 592 N -2.31 2.00 -0.07 -3.49 2.12 -0.36 -4.79 118.70 111.80 3h9f s GLU 592 Ca -0.06 -0.66 -0.03 0.00 0.36 0.00 0.00 54.97 54.59 3h9f s GLU 592 Cb -0.01 -1.69 0.04 0.00 0.26 0.00 0.00 34.13 32.73 3h9f s GLU 592 CO -0.01 0.24 0.13 -1.50 -0.54 0.00 0.00 175.26 173.58 3h9f s ILE 593 N 0.10 -0.14 0.32 -3.70 2.07 -1.26 -0.51 121.20 118.09 3h9f s ILE 593 Ca -0.06 0.27 0.04 0.00 -1.41 0.00 0.00 60.65 59.49 3h9f s ILE 593 Cb -0.13 -0.23 -0.01 0.00 0.13 0.00 0.00 42.46 42.21 3h9f s ILE 593 CO 0.03 0.11 0.13 0.35 -1.91 0.00 0.00 174.94 173.65 3h9f n THR 594 N 4.72 0.00 0.27 4.00 -2.24 0.42 -5.00 114.28 116.46 3h9f n THR 594 Ca -0.16 -1.91 0.15 0.00 -2.27 0.00 0.00 64.05 59.85 3h9f n THR 594 Cb 0.51 0.72 0.77 0.00 -2.10 0.00 0.00 70.33 70.22 3h9f n THR 594 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3h9f h ASP 595 N 1.34 0.00 0.17 3.42 3.32 -2.01 -3.27 116.42 119.39 3h9f h ASP 595 Ca -0.25 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.45 3h9f h ASP 595 Cb 0.97 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.49 3h9f h ASP 595 CO 0.39 0.09 -2.06 0.00 -1.72 0.00 0.00 179.24 175.95 3h9f n GLN 596 N -3.46 0.71 -3.68 3.56 3.00 -1.26 -4.62 117.38 111.63 3h9f n GLN 596 Ca -0.01 0.23 -0.11 0.00 -0.01 0.00 0.00 57.00 57.09 3h9f n GLN 596 Cb 0.24 -1.68 -0.06 0.00 0.00 0.00 0.00 30.24 28.74 3h9f n GLN 596 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.06 178.58 3h9f s TYR 597 N -2.55 -0.18 -0.05 1.08 -0.85 -1.23 -1.46 117.35 112.11 3h9f s TYR 597 Ca -0.20 -0.02 0.05 0.00 -0.52 0.00 0.00 57.07 56.38 3h9f s TYR 597 Cb 0.07 0.19 -0.02 0.00 0.38 0.00 0.00 41.96 42.58 3h9f s TYR 597 CO 0.75 -0.61 -0.19 0.42 -1.52 0.00 0.00 175.55 174.41 3h9f s ILE 598 N -3.13 2.67 -0.08 -3.49 1.01 -0.75 -0.44 121.20 116.99 3h9f s ILE 598 Ca -0.01 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.79 3h9f s ILE 598 Cb 0.01 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.48 3h9f s ILE 598 CO -0.07 0.58 -0.14 -0.31 0.00 0.00 0.00 174.94 175.00 3h9f s TYR 599 N -0.57 1.67 -0.12 3.97 2.02 0.34 -1.77 117.35 122.88 3h9f s TYR 599 Ca 0.08 -0.67 0.01 0.00 -0.37 0.00 0.00 57.07 56.12 3h9f s TYR 599 Cb -0.11 -1.21 0.02 0.00 -0.40 0.00 0.00 41.96 40.26 3h9f s TYR 599 CO 0.01 -0.34 -0.15 -1.64 -1.57 0.00 0.00 175.55 171.85 3h9f s MET 600 N 0.75 2.25 -0.13 -0.62 -1.94 -0.35 -1.22 119.30 118.05 3h9f s MET 600 Ca -0.12 -0.56 -0.21 0.00 -1.71 0.00 0.00 55.69 53.09 3h9f s MET 600 Cb -0.16 -1.95 -0.04 0.00 2.01 0.00 0.00 34.83 34.70 3h9f s MET 600 CO 0.03 -0.11 0.59 0.08 -0.01 0.00 0.00 175.02 175.60 3h9f s VAL 601 N 1.12 5.09 0.16 -6.03 1.01 0.60 -1.24 120.40 121.11 3h9f s VAL 601 Ca -0.04 1.18 -0.03 0.00 0.00 0.00 0.00 61.98 63.09 3h9f s VAL 601 Cb -0.14 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 3h9f s VAL 601 CO -0.04 0.24 0.13 -0.04 0.00 0.00 0.00 175.10 175.39 3h9f s MET 602 N 1.07 1.05 0.63 2.72 -1.94 0.95 -0.18 119.30 123.60 3h9f s MET 602 Ca 0.30 -1.42 -0.18 0.00 -1.71 0.00 0.00 55.69 52.68 3h9f s MET 602 Cb -0.16 0.28 -0.02 0.00 2.01 0.00 0.00 34.83 36.94 3h9f s MET 602 CO 0.13 -0.33 1.29 -2.00 -0.01 0.00 0.00 175.02 174.09 3h9f s GLU 603 N -4.05 2.65 -0.22 2.03 2.12 -0.86 -0.60 118.70 119.77 3h9f s GLU 603 Ca 0.26 2.05 0.02 0.00 0.36 0.00 0.00 54.97 57.66 3h9f s GLU 603 Cb 0.06 -1.89 0.04 0.00 0.26 0.00 0.00 34.13 32.60 3h9f s GLU 603 CO 0.04 -1.52 -0.15 0.00 -0.54 0.00 0.00 175.26 173.09 3h9f n GLY 605 N 4.55 -0.99 0.14 0.00 0.00 -1.26 -4.95 105.19 102.67 3h9f n GLY 605 Ca -0.17 -1.72 -0.22 0.00 0.00 0.00 0.00 46.02 43.90 3h9f n GLY 605 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3h9f h ASN 606 N -0.54 0.61 -3.76 1.61 2.35 -1.18 -3.49 115.58 111.18 3h9f h ASN 606 Ca -0.14 -0.90 0.23 0.00 -0.55 0.00 0.00 56.30 54.95 3h9f h ASN 606 Cb 0.40 -0.20 -0.23 0.00 0.05 0.00 0.00 38.32 38.35 3h9f h ASN 606 CO 0.11 1.75 0.85 -0.51 -1.65 0.00 0.00 177.43 177.98 3h9f s ILE 607 N -2.58 0.00 0.57 2.81 2.07 -1.25 -5.05 121.20 117.78 3h9f s ILE 607 Ca -0.15 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.02 3h9f s ILE 607 Cb 0.05 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.64 3h9f s ILE 607 CO 0.86 0.00 0.90 1.51 -1.91 0.00 0.00 174.94 176.29 3h9f s ASP 608 N -1.55 5.81 0.22 4.50 -4.77 -1.26 -1.50 116.67 118.12 3h9f s ASP 608 Ca 0.08 0.86 -0.05 0.00 -3.30 0.00 0.00 52.55 50.14 3h9f s ASP 608 Cb -0.01 -1.93 0.20 0.00 -1.09 0.00 0.00 42.92 40.08 3h9f s ASP 608 CO -0.05 -0.94 1.67 0.25 0.70 0.00 0.00 175.17 176.80 3h9f h LEU 609 N -0.12 0.86 -0.03 2.11 5.85 -0.97 -2.06 115.31 120.94 3h9f h LEU 609 Ca -0.46 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.00 3h9f h LEU 609 Cb 1.24 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 3h9f h LEU 609 CO 0.61 0.98 0.01 -1.13 -0.34 0.00 0.00 178.44 178.57 3h9f h ASN 610 N 0.78 0.04 -0.98 1.25 -1.24 -1.82 0.17 115.58 113.79 3h9f h ASN 610 Ca 0.13 -0.16 0.04 0.00 0.71 0.00 0.00 56.30 57.02 3h9f h ASN 610 Cb 0.61 -0.01 -0.06 0.00 0.73 0.00 0.00 38.32 39.59 3h9f h ASN 610 CO 0.04 0.19 0.64 0.28 -1.29 0.00 0.00 177.43 177.28 3h9f h SER 611 N -0.11 1.06 -0.42 1.15 0.02 -1.91 -2.05 113.55 111.29 3h9f h SER 611 Ca 0.01 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 3h9f h SER 611 Cb 0.16 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3h9f h SER 611 CO -0.00 0.72 -0.12 -0.25 -1.14 0.00 0.00 176.83 176.04 3h9f h TRP 612 N 1.23 0.92 -0.53 3.45 7.01 -0.93 -2.37 115.95 124.73 3h9f h TRP 612 Ca 0.39 -0.20 -0.05 0.00 2.11 0.00 0.00 58.89 61.14 3h9f h TRP 612 Cb 0.02 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 26.84 3h9f h TRP 612 CO -0.01 0.94 0.15 -0.07 -2.79 0.00 0.00 178.44 176.67 3h9f h LEU 613 N 0.64 0.79 -1.71 0.65 3.38 -0.22 -2.30 115.31 116.53 3h9f h LEU 613 Ca 0.10 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3h9f h LEU 613 Cb 0.66 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3h9f h LEU 613 CO 0.04 0.80 0.18 0.11 0.09 0.00 0.00 178.44 179.67 3h9f h LYS 614 N 0.74 0.38 0.00 1.13 1.57 -1.24 -2.66 116.57 116.49 3h9f h LYS 614 Ca 0.17 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3h9f h LYS 614 Cb 0.30 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3h9f h LYS 614 CO -0.00 0.25 -0.09 0.87 -0.57 0.00 0.00 179.45 179.91 3h9f h LYS 615 N 0.39 0.00 -6.22 3.15 1.57 -0.88 -3.48 116.57 111.09 3h9f h LYS 615 Ca 0.10 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.34 3h9f h LYS 615 Cb -0.04 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 3h9f h LYS 615 CO -0.02 0.00 0.18 0.21 -0.57 0.00 0.00 179.45 179.25 3h9f s LYS 616 N -3.15 4.49 0.00 3.15 2.47 -0.98 -4.99 119.74 120.73 3h9f s LYS 616 Ca 0.09 1.08 0.00 0.00 -1.56 0.00 0.00 55.97 55.58 3h9f s LYS 616 Cb 0.10 -3.42 0.00 0.00 -1.46 0.00 0.00 37.83 33.05 3h9f s LYS 616 CO 0.64 0.12 0.94 0.36 0.16 0.00 0.00 175.35 177.57 3h9f n LYS 617 N 3.44 0.00 -3.79 4.03 2.85 -1.26 -4.97 118.16 118.46 3h9f n LYS 617 Ca 0.00 0.52 -0.09 0.00 -1.05 0.00 0.00 58.31 57.69 3h9f n LYS 617 Cb 0.51 -1.44 -0.04 0.00 -0.65 0.00 0.00 35.03 33.41 3h9f n LYS 617 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3h9f s SER 618 N -2.16 -0.23 -0.13 -5.58 1.04 -1.26 -5.13 113.70 100.25 3h9f s SER 618 Ca 0.00 -0.57 -0.05 0.00 0.48 0.00 0.00 55.95 55.81 3h9f s SER 618 Cb 0.00 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 3h9f s SER 618 CO 0.00 -1.08 0.07 -0.63 0.98 0.00 0.00 173.24 172.57 3h9f s ILE 619 N -3.90 4.87 -0.10 -1.02 1.09 -1.26 -5.08 121.20 115.80 3h9f s ILE 619 Ca 0.11 -0.02 -0.30 0.00 -1.10 0.00 0.00 60.65 59.34 3h9f s ILE 619 Cb -0.01 -3.12 -0.02 0.00 -1.06 0.00 0.00 42.46 38.24 3h9f s ILE 619 CO -0.00 0.56 1.18 -0.62 -0.10 0.00 0.00 174.94 175.96 3h9f s ASP 620 N -0.49 7.05 0.41 3.58 3.68 -1.26 -4.90 116.67 124.74 3h9f s ASP 620 Ca 0.10 1.72 0.27 0.00 2.13 0.00 0.00 52.55 56.78 3h9f s ASP 620 Cb -0.12 -2.55 1.41 0.00 -1.45 0.00 0.00 42.92 40.21 3h9f s ASP 620 CO 0.02 -0.61 1.60 -0.65 0.13 0.00 0.00 175.17 175.65 3h9f h PRO 621 N 7.58 0.04 -0.34 4.34 0.11 -1.98 0.62 132.00 142.38 3h9f h PRO 621 Ca -0.31 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.76 3h9f h PRO 621 Cb 1.14 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3h9f h PRO 621 CO 0.90 0.03 0.06 2.35 -0.21 0.00 0.00 178.00 181.14 3h9f h TRP 622 N 0.05 0.59 -0.17 0.65 7.01 -1.99 -1.49 115.95 120.59 3h9f h TRP 622 Ca 0.85 -0.08 -0.11 0.00 2.11 0.00 0.00 58.89 61.66 3h9f h TRP 622 Cb 2.52 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 29.41 3h9f h TRP 622 CO -0.01 0.62 -0.37 1.49 -2.79 0.00 0.00 178.44 177.38 3h9f h GLU 623 N 0.39 0.37 0.17 2.65 4.81 -0.23 -0.91 114.58 121.83 3h9f h GLU 623 Ca 0.10 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3h9f h GLU 623 Cb 0.34 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3h9f h GLU 623 CO 0.01 0.69 -0.08 -0.09 -0.73 0.00 0.00 179.01 178.80 3h9f h ARG 624 N 0.31 -0.22 -0.95 1.92 2.43 -0.96 0.16 114.38 117.08 3h9f h ARG 624 Ca 0.03 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.28 3h9f h ARG 624 Cb 0.79 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.33 3h9f h ARG 624 CO 0.06 0.08 0.62 -0.22 -1.51 0.00 0.00 179.97 179.00 3h9f h LYS 625 N -0.52 1.07 -0.18 0.20 3.64 -1.20 0.23 116.57 119.81 3h9f h LYS 625 Ca -0.02 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.22 3h9f h LYS 625 Cb 0.40 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3h9f h LYS 625 CO 0.04 0.71 -0.16 1.03 -2.27 0.00 0.00 179.45 178.79 3h9f h SER 626 N 1.10 0.46 -0.98 4.20 0.87 -1.00 -0.91 113.55 117.29 3h9f h SER 626 Ca 0.41 -0.47 0.02 0.00 -1.23 0.00 0.00 61.79 60.53 3h9f h SER 626 Cb 0.19 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 61.97 3h9f h SER 626 CO -0.16 0.83 0.64 1.88 -0.53 0.00 0.00 176.83 179.49 3h9f h TYR 627 N 0.10 1.21 -0.19 2.24 0.05 -0.55 -2.09 116.97 117.74 3h9f h TYR 627 Ca 0.03 0.03 0.04 0.00 0.05 0.00 0.00 58.73 58.88 3h9f h TYR 627 Cb 0.69 -0.41 -0.03 0.00 1.01 0.00 0.00 36.73 37.99 3h9f h TYR 627 CO 0.08 0.73 -0.03 2.35 -1.05 0.00 0.00 178.16 180.23 3h9f h TRP 628 N 1.27 -0.07 -0.67 4.88 2.91 -0.21 -1.30 115.95 122.77 3h9f h TRP 628 Ca 0.38 0.02 0.10 0.00 1.13 0.00 0.00 58.89 60.51 3h9f h TRP 628 Cb -0.07 0.06 -0.08 0.00 -0.51 0.00 0.00 29.16 28.57 3h9f h TRP 628 CO -0.00 -0.06 0.28 0.87 -1.03 0.00 0.00 178.44 178.49 3h9f h LYS 629 N 0.02 0.46 -0.47 2.65 1.57 -0.82 -1.08 116.57 118.91 3h9f h LYS 629 Ca 0.09 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3h9f h LYS 629 Cb 0.13 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3h9f h LYS 629 CO -0.18 0.30 0.23 -0.91 -0.57 0.00 0.00 179.45 178.32 3h9f h ASN 630 N 0.47 0.61 -0.53 0.86 -0.26 -0.95 -1.36 115.58 114.42 3h9f h ASN 630 Ca 0.34 -0.12 0.01 0.00 -0.56 0.00 0.00 56.30 55.97 3h9f h ASN 630 Cb 0.42 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 37.50 3h9f h ASN 630 CO -0.31 0.56 0.34 0.24 -1.06 0.00 0.00 177.43 177.19 3h9f h MET 631 N 0.61 0.67 -0.59 0.81 2.86 -0.78 -1.53 114.93 116.98 3h9f h MET 631 Ca 0.16 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 3h9f h MET 631 Cb 0.11 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 3h9f h MET 631 CO -0.02 0.44 0.30 -0.07 1.06 0.00 0.00 176.91 178.62 3h9f h LEU 632 N 0.69 0.76 -0.91 1.22 3.38 -0.93 -1.66 115.31 117.86 3h9f h LEU 632 Ca 0.20 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3h9f h LEU 632 Cb -0.04 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3h9f h LEU 632 CO -0.06 0.66 0.12 -0.08 0.09 0.00 0.00 178.44 179.17 3h9f h GLU 633 N 0.81 0.92 0.09 1.13 4.81 -0.75 0.20 114.58 121.79 3h9f h GLU 633 Ca 0.21 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3h9f h GLU 633 Cb 0.09 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3h9f h GLU 633 CO -0.03 0.84 -0.04 0.00 -0.73 0.00 0.00 179.01 179.05 3h9f h ALA 634 N 1.25 -0.12 -0.50 2.92 0.00 -0.94 -0.43 119.26 121.44 3h9f h ALA 634 Ca 0.19 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3h9f h ALA 634 Cb 0.35 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3h9f h ALA 634 CO 0.00 -0.34 -0.13 0.28 0.00 0.00 0.00 179.25 179.06 3h9f h VAL 635 N -0.57 1.27 -0.93 0.00 2.07 -1.22 0.15 116.25 117.02 3h9f h VAL 635 Ca -0.01 -1.26 0.10 0.00 0.82 0.00 0.00 66.70 66.35 3h9f h VAL 635 Cb 0.47 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 3h9f h VAL 635 CO 0.02 0.44 0.60 -0.74 0.02 0.00 0.00 177.57 177.91 3h9f h HIS 636 N 0.84 1.02 -0.26 1.57 6.17 -0.55 -1.64 115.15 122.31 3h9f h HIS 636 Ca 0.13 0.03 -0.08 0.00 0.71 0.00 0.00 60.37 61.16 3h9f h HIS 636 Cb 0.67 -0.33 -0.01 0.00 2.52 0.00 0.00 27.41 30.27 3h9f h HIS 636 CO 0.04 0.46 -0.15 1.15 0.71 0.00 0.00 177.93 180.14 3h9f h THR 637 N 0.94 1.30 -0.19 6.26 2.02 0.77 -2.18 112.91 121.83 3h9f h THR 637 Ca 0.44 -1.25 -0.10 0.00 0.77 0.00 0.00 66.41 66.26 3h9f h THR 637 Cb 0.41 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 3h9f h THR 637 CO -0.20 0.39 -0.32 0.16 0.37 0.00 0.00 175.52 175.93 3h9f h ILE 638 N 0.28 1.28 -0.77 3.11 3.07 -1.13 -1.82 117.51 121.52 3h9f h ILE 638 Ca 0.05 -1.36 -0.00 0.00 1.55 0.00 0.00 64.86 65.10 3h9f h ILE 638 Cb 0.67 1.49 -0.04 0.00 -0.27 0.00 0.00 36.82 38.67 3h9f h ILE 638 CO 0.04 0.42 0.47 0.45 -1.05 0.00 0.00 178.15 178.48 3h9f h HIS 639 N 0.33 1.01 0.00 0.16 3.86 -1.11 -1.25 115.15 118.15 3h9f h HIS 639 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 3h9f h HIS 639 Cb 0.73 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.86 3h9f h HIS 639 CO 0.02 0.67 0.00 1.96 0.86 0.00 0.00 177.93 181.44 3h9f h GLN 640 N 1.06 0.00 -0.42 2.45 4.20 -0.68 -2.75 115.11 118.97 3h9f h GLN 640 Ca 0.28 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.90 3h9f h GLN 640 Cb -0.05 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.67 3h9f h GLN 640 CO -0.05 0.00 0.06 0.72 -0.67 0.00 0.00 178.83 178.88 3h9f n HIS 641 N -2.78 1.44 -0.94 2.96 8.25 -0.57 -4.95 115.22 118.63 3h9f n HIS 641 Ca 0.01 -1.08 0.00 0.00 -0.26 0.00 0.00 57.72 56.39 3h9f n HIS 641 Cb 0.27 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 30.93 3h9f n HIS 641 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h9f n GLY 642 N -0.45 0.68 3.75 -1.41 0.00 -1.04 -5.01 105.19 101.72 3h9f n GLY 642 Ca 0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 3h9f n GLY 642 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h9f s ILE 643 N -2.91 4.69 -0.29 -0.61 1.01 -0.63 -5.00 121.20 117.46 3h9f s ILE 643 Ca 0.00 1.58 0.01 0.00 0.00 0.00 0.00 60.65 62.25 3h9f s ILE 643 Cb 0.00 -4.09 0.08 0.00 0.01 0.00 0.00 42.46 38.46 3h9f s ILE 643 CO 0.00 0.40 0.02 -0.69 0.00 0.00 0.00 174.94 174.67 3h9f s VAL 644 N -0.30 1.58 0.10 2.92 1.01 -1.26 -3.23 120.40 121.22 3h9f s VAL 644 Ca 0.37 -1.60 -0.34 0.00 0.00 0.00 0.00 61.98 60.41 3h9f s VAL 644 Cb -0.21 -2.03 -0.14 0.00 0.00 0.00 0.00 36.38 34.01 3h9f s VAL 644 CO 0.23 -0.40 1.57 -0.74 0.00 0.00 0.00 175.10 175.76 3h9f h HIS 645 N 7.89 -1.37 0.00 5.22 2.76 -1.95 -3.46 115.15 124.23 3h9f h HIS 645 Ca -0.13 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 3h9f h HIS 645 Cb 1.04 0.57 0.00 0.00 1.55 0.00 0.00 27.41 30.57 3h9f h HIS 645 CO 0.45 -0.60 0.00 -1.13 -1.30 0.00 0.00 177.93 175.35 3h9f n SER 646 N -5.51 0.00 -2.63 3.26 3.41 -1.26 -4.84 113.62 106.06 3h9f n SER 646 Ca -0.09 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.37 3h9f n SER 646 Cb 0.42 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.39 3h9f n SER 646 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3h9f n ASP 647 N 0.00 2.39 -4.79 4.04 2.03 -1.26 -4.79 116.55 114.18 3h9f n ASP 647 Ca 0.00 -3.02 -0.36 0.00 0.52 0.00 0.00 54.79 51.93 3h9f n ASP 647 Cb 0.00 -0.51 -0.07 0.00 -0.72 0.00 0.00 41.12 39.82 3h9f n ASP 647 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3h9f s LEU 648 N -3.23 4.28 0.18 -2.67 1.43 -1.26 -5.01 118.68 112.40 3h9f s LEU 648 Ca 0.34 1.81 -0.16 0.00 -1.03 0.00 0.00 54.13 55.09 3h9f s LEU 648 Cb 0.44 -4.09 0.02 0.00 0.03 0.00 0.00 46.19 42.59 3h9f s LEU 648 CO -0.03 -0.11 0.47 -0.54 0.23 0.00 0.00 176.35 176.37 3h9f s LYS 649 N -2.22 1.29 0.36 1.70 1.02 -1.26 -4.84 119.74 115.79 3h9f s LYS 649 Ca 0.52 -0.88 0.09 0.00 0.02 0.00 0.00 55.97 55.72 3h9f s LYS 649 Cb -0.17 0.49 0.82 0.00 -0.52 0.00 0.00 37.83 38.45 3h9f s LYS 649 CO 0.22 -0.53 1.88 -1.35 -0.92 0.00 0.00 175.35 174.64 3h9f h PRO 650 N 2.28 0.67 -0.01 -1.68 0.11 -1.95 0.02 132.00 131.43 3h9f h PRO 650 Ca -0.30 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3h9f h PRO 650 Cb 1.26 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3h9f h PRO 650 CO 0.41 0.44 0.21 0.00 -0.21 0.00 0.00 178.00 178.84 3h9f h ALA 651 N 1.60 1.25 -0.03 -0.75 0.00 -1.95 -1.44 119.26 117.93 3h9f h ALA 651 Ca 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3h9f h ALA 651 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3h9f h ALA 651 CO -0.20 -0.21 0.00 0.09 0.00 0.00 0.00 179.25 178.93 3h9f n ASN 652 N -3.01 0.92 -3.89 0.00 4.13 -0.01 -4.80 115.26 108.60 3h9f n ASN 652 Ca -0.02 -2.03 -0.12 0.00 1.68 0.00 0.00 54.58 54.08 3h9f n ASN 652 Cb 0.27 -0.36 -0.14 0.00 -1.54 0.00 0.00 39.78 38.01 3h9f n ASN 652 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3h9f s PHE 653 N -1.34 0.08 -0.10 3.10 0.08 -0.54 -1.99 117.98 117.26 3h9f s PHE 653 Ca 0.03 -0.05 0.04 0.00 0.12 0.00 0.00 56.93 57.06 3h9f s PHE 653 Cb 0.02 -0.06 -0.00 0.00 -0.57 0.00 0.00 43.02 42.41 3h9f s PHE 653 CO 0.01 -0.01 -0.24 -1.17 -0.10 0.00 0.00 175.22 173.71 3h9f s LEU 654 N -0.13 2.09 -0.36 -0.37 2.96 -0.15 -0.58 118.68 122.14 3h9f s LEU 654 Ca -0.01 -0.56 -0.23 0.00 -0.22 0.00 0.00 54.13 53.11 3h9f s LEU 654 Cb -0.01 -1.41 0.01 0.00 0.50 0.00 0.00 46.19 45.28 3h9f s LEU 654 CO -0.00 0.16 0.79 -0.63 -1.32 0.00 0.00 176.35 175.35 3h9f s ILE 655 N 0.34 4.73 -0.21 6.68 1.01 -0.56 -0.92 121.20 132.27 3h9f s ILE 655 Ca -0.19 0.90 0.00 0.00 0.00 0.00 0.00 60.65 61.37 3h9f s ILE 655 Cb -0.18 -4.21 0.05 0.00 0.01 0.00 0.00 42.46 38.13 3h9f s ILE 655 CO 0.09 -0.43 -0.05 -0.69 0.00 0.00 0.00 174.94 173.86 3h9f s VAL 656 N 3.10 1.36 -1.30 2.92 1.01 -0.07 -0.50 120.40 126.93 3h9f s VAL 656 Ca 0.32 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 3h9f s VAL 656 Cb -0.13 -1.61 -0.00 0.00 0.00 0.00 0.00 36.38 34.63 3h9f s VAL 656 CO 0.17 -0.04 0.63 -0.90 0.00 0.00 0.00 175.10 174.96 3h9f n ASP 657 N 4.75 -1.79 0.00 3.32 5.68 -1.26 -2.11 116.55 125.14 3h9f n ASP 657 Ca -0.12 -0.91 0.00 0.00 -0.50 0.00 0.00 54.79 53.26 3h9f n ASP 657 Cb 0.45 -3.66 0.00 0.00 -1.14 0.00 0.00 41.12 36.77 3h9f n ASP 657 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h9f n GLY 658 N -1.71 0.31 2.95 6.12 0.00 -1.26 -4.98 105.19 106.62 3h9f n GLY 658 Ca -0.26 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 3h9f n GLY 658 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3h9f s MET 659 N -0.78 0.73 0.14 1.61 -2.45 -0.90 -4.91 119.30 112.75 3h9f s MET 659 Ca 0.00 -0.19 -0.24 0.00 -1.25 0.00 0.00 55.69 54.01 3h9f s MET 659 Cb 0.00 -0.72 -0.08 0.00 1.25 0.00 0.00 34.83 35.29 3h9f s MET 659 CO 0.00 0.05 0.73 -0.51 1.05 0.00 0.00 175.02 176.33 3h9f s LEU 660 N 0.35 4.57 0.04 4.11 1.43 -1.26 -0.89 118.68 127.03 3h9f s LEU 660 Ca -0.05 1.54 0.05 0.00 -1.03 0.00 0.00 54.13 54.65 3h9f s LEU 660 Cb -0.09 -3.20 -0.02 0.00 0.03 0.00 0.00 46.19 42.92 3h9f s LEU 660 CO 0.00 0.21 -0.14 -0.54 0.23 0.00 0.00 176.35 176.11 3h9f s LYS 661 N -1.07 0.95 0.21 1.70 1.02 -0.10 -4.74 119.74 117.71 3h9f s LYS 661 Ca 0.34 -0.75 -0.30 0.00 0.02 0.00 0.00 55.97 55.28 3h9f s LYS 661 Cb -0.22 -0.96 -0.08 0.00 -0.52 0.00 0.00 37.83 36.05 3h9f s LYS 661 CO 0.24 0.24 1.08 -1.17 -0.92 0.00 0.00 175.35 174.82 3h9f s LEU 662 N -1.11 4.52 0.13 3.17 2.96 0.13 -0.98 118.68 127.51 3h9f s LEU 662 Ca 0.02 2.11 -0.01 0.00 -0.22 0.00 0.00 54.13 56.02 3h9f s LEU 662 Cb -0.08 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 3h9f s LEU 662 CO 0.01 -0.15 0.06 0.27 -1.32 0.00 0.00 176.35 175.22 3h9f s ILE 663 N -0.56 0.10 -1.57 6.68 -4.36 -0.84 -1.95 121.20 118.70 3h9f s ILE 663 Ca 0.47 -1.90 -0.15 0.00 -0.26 0.00 0.00 60.65 58.82 3h9f s ILE 663 Cb -0.29 -2.03 0.10 0.00 1.25 0.00 0.00 42.46 41.49 3h9f s ILE 663 CO 0.36 -0.47 0.92 0.47 0.24 0.00 0.00 174.94 176.46 3h9f n ASP 664 N -0.09 -4.28 -1.05 4.36 8.00 -1.26 -4.55 116.55 117.67 3h9f n ASP 664 Ca -0.06 -0.84 0.12 0.00 0.71 0.00 0.00 54.79 54.72 3h9f n ASP 664 Cb 0.64 -3.59 0.20 0.00 -0.02 0.00 0.00 41.12 38.35 3h9f n ASP 664 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 3h9f n PHE 665 N -4.60 0.32 -1.61 1.24 -1.74 -1.26 -4.86 117.46 104.95 3h9f n PHE 665 Ca 0.04 -0.16 -0.13 0.00 -0.56 0.00 0.00 57.45 56.64 3h9f n PHE 665 Cb 0.52 0.00 0.09 0.00 1.52 0.00 0.00 39.48 41.61 3h9f n PHE 665 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3h9f n GLY 666 N 1.44 -0.91 0.00 4.97 0.00 -1.26 -4.91 105.19 104.51 3h9f n GLY 666 Ca 0.18 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.45 3h9f n GLY 666 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3h9f n ILE 667 N -2.68 0.00 -3.55 -0.61 5.41 -1.26 -4.07 119.36 112.59 3h9f n ILE 667 Ca 0.07 1.38 -0.41 0.00 1.00 0.00 0.00 62.75 64.79 3h9f n ILE 667 Cb 0.26 -2.34 -0.06 0.00 -0.71 0.00 0.00 39.64 36.79 3h9f n ILE 667 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3h9f s ALA 668 N -2.83 3.82 -0.63 -1.39 0.00 -1.26 -4.99 121.76 114.49 3h9f s ALA 668 Ca 0.00 -3.32 0.05 0.00 0.00 0.00 0.00 51.96 48.69 3h9f s ALA 668 Cb 0.00 -3.03 0.17 0.00 0.00 0.00 0.00 23.12 20.26 3h9f s ALA 668 CO 0.00 -2.19 0.44 1.21 0.00 0.00 0.00 175.76 175.22 3h9f s ASN 669 N 1.25 4.13 -1.23 0.00 3.84 -1.26 -4.97 114.94 116.70 3h9f s ASN 669 Ca 0.18 -3.61 -0.06 0.00 0.21 0.00 0.00 52.86 49.58 3h9f s ASN 669 Cb -0.16 -1.39 0.08 0.00 -0.55 0.00 0.00 41.25 39.23 3h9f s ASN 669 CO -0.06 -0.12 2.53 0.00 -2.79 0.00 0.00 177.10 176.67 3h9f n GLN 670 N 2.27 4.19 -2.99 0.43 -0.00 -1.26 -4.99 117.38 115.03 3h9f n GLN 670 Ca 0.20 -3.12 -0.40 0.00 -0.00 0.00 0.00 57.00 53.68 3h9f n GLN 670 Cb 0.37 -2.58 -0.04 0.00 -0.00 0.00 0.00 30.24 27.98 3h9f n GLN 670 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 3h9f s MET 671 N -0.75 4.46 0.00 2.61 -1.94 -1.26 -4.31 119.30 118.11 3h9f s MET 671 Ca 0.57 0.99 0.00 0.00 -1.71 0.00 0.00 55.69 55.54 3h9f s MET 671 Cb 0.21 -3.44 -0.01 0.00 2.01 0.00 0.00 34.83 33.61 3h9f s MET 671 CO -0.10 0.07 -0.02 -0.65 -0.01 0.00 0.00 175.02 174.31 3h9f s GLN 672 N 0.73 0.15 0.74 2.03 -0.21 -0.67 -4.98 119.66 117.44 3h9f s GLN 672 Ca 0.40 -0.17 -0.15 0.00 0.02 0.00 0.00 55.36 55.46 3h9f s GLN 672 Cb -0.19 -0.07 0.04 0.00 1.00 0.00 0.00 33.01 33.80 3h9f s GLN 672 CO 0.20 0.01 1.23 -2.14 -2.12 0.00 0.00 175.29 172.48 3h9f s PRO 673 N -0.34 2.04 -0.88 2.91 0.02 -1.26 -1.69 135.00 135.80 3h9f s PRO 673 Ca -0.03 1.85 -0.02 0.00 0.02 0.00 0.00 61.00 62.83 3h9f s PRO 673 Cb -0.02 -1.81 0.34 0.00 0.02 0.00 0.00 34.50 33.03 3h9f s PRO 673 CO -0.00 -1.93 1.97 -0.25 -0.33 0.00 0.00 177.00 176.45 3h9f n ASP 674 N -2.73 7.44 -4.22 2.53 9.92 -0.71 -4.79 116.55 124.00 3h9f n ASP 674 Ca 0.14 -3.80 -0.30 0.00 -0.53 0.00 0.00 54.79 50.30 3h9f n ASP 674 Cb 0.50 -1.08 0.18 0.00 -0.64 0.00 0.00 41.12 40.08 3h9f n ASP 674 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3h9f s GLY 685 N -1.19 1.69 0.02 0.44 0.00 -1.26 -4.93 107.32 102.09 3h9f s GLY 685 Ca 0.49 -1.00 0.22 0.00 0.00 0.00 0.00 44.72 44.43 3h9f s GLY 685 CO -0.35 -0.25 0.86 -0.37 0.00 0.00 0.00 173.10 172.99 3h9f n THR 686 N -3.97 0.09 0.00 0.90 5.66 -1.26 -4.43 114.28 111.28 3h9f n THR 686 Ca 0.13 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 3h9f n THR 686 Cb 0.60 0.35 0.00 0.00 -1.55 0.00 0.00 70.33 69.73 3h9f n THR 686 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 3h9f n VAL 687 N -1.93 0.00 0.18 1.08 0.24 -1.26 -4.76 118.33 111.88 3h9f n VAL 687 Ca 0.01 -0.39 0.11 0.00 -2.04 0.00 0.00 64.34 62.03 3h9f n VAL 687 Cb 0.44 0.91 0.60 0.00 -1.47 0.00 0.00 33.84 34.33 3h9f n VAL 687 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 3h9f h ASN 688 N 0.00 0.00 -0.02 -1.34 2.35 -1.96 -2.38 115.58 112.23 3h9f h ASN 688 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h9f h ASN 688 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3h9f h ASN 688 CO 0.00 0.00 -0.01 -1.22 -1.65 0.00 0.00 177.43 174.55 3h9f n TYR 689 N -2.29 0.00 -2.38 1.19 4.01 -1.26 -4.79 117.16 111.64 3h9f n TYR 689 Ca -0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 3h9f n TYR 689 Cb 0.08 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.08 3h9f n TYR 689 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 3h9f s MET 690 N -1.51 4.39 0.45 -0.72 1.75 -0.90 -4.30 119.30 118.47 3h9f s MET 690 Ca 0.21 1.81 -0.20 0.00 -1.25 0.00 0.00 55.69 56.26 3h9f s MET 690 Cb 0.15 -3.38 -0.10 0.00 2.84 0.00 0.00 34.83 34.34 3h9f s MET 690 CO 0.23 -0.33 0.96 -1.25 -0.65 0.00 0.00 175.02 173.98 3h9f s PRO 691 N 1.33 4.15 0.20 4.11 0.04 -1.26 -4.96 135.00 138.61 3h9f s PRO 691 Ca 0.60 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.62 3h9f s PRO 691 Cb -0.30 -2.17 0.13 0.00 0.04 0.00 0.00 34.50 32.21 3h9f s PRO 691 CO 0.28 -0.10 1.85 -1.00 0.04 0.00 0.00 177.00 178.07 3h9f h PRO 692 N 1.69 0.95 -0.02 0.56 0.13 -1.90 -1.71 132.00 131.70 3h9f h PRO 692 Ca -0.49 -0.08 0.01 0.00 -0.87 0.00 0.00 66.00 64.57 3h9f h PRO 692 Cb 1.18 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 3h9f h PRO 692 CO 0.61 0.67 0.02 1.05 -0.23 0.00 0.00 178.00 180.11 3h9f h GLU 693 N 0.96 0.00 0.00 0.86 9.09 -1.92 -1.00 114.58 122.58 3h9f h GLU 693 Ca 0.25 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.56 3h9f h GLU 693 Cb -0.05 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.03 3h9f h GLU 693 CO -0.05 0.00 -0.52 0.00 0.05 0.00 0.00 179.01 178.49 3h9f h ALA 694 N 1.99 0.98 0.26 1.06 0.00 -1.61 -2.62 119.26 119.32 3h9f h ALA 694 Ca 0.01 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3h9f h ALA 694 Cb 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3h9f h ALA 694 CO -0.00 0.65 -0.12 0.82 0.00 0.00 0.00 179.25 180.59 3h9f h ILE 695 N 0.00 0.00 -1.45 0.00 2.04 -1.09 -3.32 117.51 113.69 3h9f h ILE 695 Ca -0.01 -0.43 0.47 0.00 1.00 0.00 0.00 64.86 65.89 3h9f h ILE 695 Cb 1.02 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.97 3h9f h ILE 695 CO 0.07 0.00 0.96 0.11 0.00 0.00 0.00 178.15 179.29 3h9f h LYS 696 N -0.78 0.04 -2.39 2.37 1.57 -1.34 -2.99 116.57 113.06 3h9f h LYS 696 Ca -0.04 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 3h9f h LYS 696 Cb 0.27 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 3h9f h LYS 696 CO 0.06 0.03 -0.01 -3.47 -0.57 0.00 0.00 179.45 175.49 3h9f n ASP 697 N -4.56 3.00 -2.74 0.86 2.03 -0.99 -5.11 116.55 109.04 3h9f n ASP 697 Ca 0.39 -2.04 -0.09 0.00 0.52 0.00 0.00 54.79 53.57 3h9f n ASP 697 Cb 1.57 -0.80 0.09 0.00 -0.72 0.00 0.00 41.12 41.26 3h9f n ASP 697 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3h9f n MET 698 N 2.62 1.07 -0.19 -0.67 2.81 -1.13 -5.03 117.12 116.60 3h9f n MET 698 Ca 0.22 -2.01 0.00 0.00 -1.81 0.00 0.00 57.70 54.11 3h9f n MET 698 Cb 0.50 -0.79 0.00 0.00 -0.71 0.00 0.00 33.22 32.22 3h9f n MET 698 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3h9f n SER 709 N 0.08 0.00 -0.03 7.83 2.88 -1.26 -5.15 113.62 117.97 3h9f n SER 709 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 3h9f n SER 709 Cb 0.74 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 3h9f n SER 709 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3h9f n LYS 710 N -2.00 0.05 -3.93 -1.46 5.02 -1.26 -5.05 118.16 109.52 3h9f n LYS 710 Ca 0.00 -0.54 -0.35 0.00 -2.02 0.00 0.00 58.31 55.40 3h9f n LYS 710 Cb 0.00 -0.51 -0.09 0.00 -0.02 0.00 0.00 35.03 34.41 3h9f n LYS 710 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3h9f s ILE 711 N -0.02 4.95 0.31 -0.18 1.09 -1.26 -4.77 121.20 121.32 3h9f s ILE 711 Ca 0.00 0.02 0.03 0.00 -1.10 0.00 0.00 60.65 59.60 3h9f s ILE 711 Cb 0.00 -3.24 -0.04 0.00 -1.06 0.00 0.00 42.46 38.12 3h9f s ILE 711 CO 0.00 0.46 0.13 -0.94 -0.10 0.00 0.00 174.94 174.48 3h9f s SER 712 N 0.37 1.72 0.49 3.58 1.04 -1.26 -5.02 113.70 114.62 3h9f s SER 712 Ca 0.04 -1.51 0.32 0.00 0.48 0.00 0.00 55.95 55.29 3h9f s SER 712 Cb -0.12 0.29 1.43 0.00 0.10 0.00 0.00 66.02 67.72 3h9f s SER 712 CO -0.00 -0.82 1.76 -0.65 0.98 0.00 0.00 173.24 174.51 3h9f h PRO 713 N 2.19 0.11 -0.28 4.02 0.11 -1.97 -1.46 132.00 134.71 3h9f h PRO 713 Ca -0.36 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.76 3h9f h PRO 713 Cb 1.25 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3h9f h PRO 713 CO 0.57 0.07 0.19 0.87 -0.21 0.00 0.00 178.00 179.49 3h9f h LYS 714 N 0.12 0.34 -0.96 1.05 1.79 -1.92 -2.17 116.57 114.82 3h9f h LYS 714 Ca 0.63 -0.02 0.11 0.00 -2.18 0.00 0.00 60.65 59.19 3h9f h LYS 714 Cb 2.20 -0.08 -0.08 0.00 -1.58 0.00 0.00 32.23 32.70 3h9f h LYS 714 CO -0.13 0.22 0.61 0.77 -1.08 0.00 0.00 179.45 179.85 3h9f h SER 715 N 0.35 0.88 0.41 0.86 0.02 -1.66 0.37 113.55 114.77 3h9f h SER 715 Ca 0.11 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.03 3h9f h SER 715 Cb 0.01 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 3h9f h SER 715 CO -0.02 0.49 -0.33 0.44 -1.14 0.00 0.00 176.83 176.27 3h9f h ASP 716 N 0.95 0.00 -0.36 3.07 3.32 -1.56 -2.75 116.42 119.09 3h9f h ASP 716 Ca 0.46 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.48 3h9f h ASP 716 Cb 0.46 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3h9f h ASP 716 CO -0.22 0.33 0.10 0.58 -1.72 0.00 0.00 179.24 178.30 3h9f h VAL 717 N 0.00 1.22 -0.13 -1.35 2.07 -0.97 0.52 116.25 117.61 3h9f h VAL 717 Ca -0.00 -0.73 0.04 0.00 0.82 0.00 0.00 66.70 66.82 3h9f h VAL 717 Cb 0.62 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 3h9f h VAL 717 CO 0.04 0.25 -0.42 -0.25 0.02 0.00 0.00 177.57 177.21 3h9f h TRP 718 N 0.43 -1.21 -0.42 1.57 2.91 -1.28 0.14 115.95 118.09 3h9f h TRP 718 Ca 0.11 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.19 3h9f h TRP 718 Cb 0.29 0.55 -0.02 0.00 -0.51 0.00 0.00 29.16 29.46 3h9f h TRP 718 CO 0.01 -0.48 0.27 0.77 -1.03 0.00 0.00 178.44 177.99 3h9f h SER 719 N -0.49 0.48 -0.92 2.65 0.02 -1.19 0.84 113.55 114.94 3h9f h SER 719 Ca 0.07 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3h9f h SER 719 Cb 0.63 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.00 3h9f h SER 719 CO -0.40 0.36 0.61 -0.07 -1.14 0.00 0.00 176.83 176.19 3h9f h LEU 720 N 0.56 1.06 -0.83 5.07 3.38 -0.76 -1.99 115.31 121.79 3h9f h LEU 720 Ca 0.15 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.10 3h9f h LEU 720 Cb -0.05 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 3h9f h LEU 720 CO -0.03 0.76 0.55 1.23 0.09 0.00 0.00 178.44 181.04 3h9f h GLY 721 N 1.25 1.17 1.33 0.83 0.00 0.74 -0.93 103.07 107.45 3h9f h GLY 721 Ca 0.34 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 3h9f h GLY 721 CO -0.07 0.42 0.37 0.00 0.00 0.00 0.00 176.54 177.25 3h9f h ILE 723 N 0.90 1.29 0.06 0.00 2.04 -0.62 -0.56 117.51 120.61 3h9f h ILE 723 Ca 0.23 -1.49 -0.24 0.00 1.00 0.00 0.00 64.86 64.36 3h9f h ILE 723 Cb 0.00 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3h9f h ILE 723 CO -0.04 0.48 -1.07 0.25 0.00 0.00 0.00 178.15 177.77 3h9f h LEU 724 N 0.54 0.46 0.03 1.44 5.85 -0.39 -0.91 115.31 122.33 3h9f h LEU 724 Ca 0.06 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.37 3h9f h LEU 724 Cb 0.85 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 3h9f h LEU 724 CO 0.07 1.26 -0.07 0.22 -0.34 0.00 0.00 178.44 179.58 3h9f h TYR 725 N 0.15 -0.17 -0.47 1.25 5.03 -0.10 0.86 116.97 123.52 3h9f h TYR 725 Ca -0.10 0.00 0.10 0.00 2.58 0.00 0.00 58.73 61.31 3h9f h TYR 725 Cb 1.74 0.07 -0.09 0.00 1.55 0.00 0.00 36.73 40.00 3h9f h TYR 725 CO 0.06 -0.11 -0.13 -0.92 -1.32 0.00 0.00 178.16 175.74 3h9f h TYR 726 N -0.14 -0.29 0.00 -3.82 5.03 -0.84 0.55 116.97 117.46 3h9f h TYR 726 Ca 0.02 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.37 3h9f h TYR 726 Cb 0.15 0.20 0.00 0.00 1.55 0.00 0.00 36.73 38.64 3h9f h TYR 726 CO -0.12 -0.22 0.00 0.52 -1.32 0.00 0.00 178.16 177.02 3h9f h MET 727 N -0.02 0.00 0.00 1.82 2.86 -0.65 0.15 114.93 119.10 3h9f h MET 727 Ca 0.23 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.70 3h9f h MET 727 Cb 0.36 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 3h9f h MET 727 CO -0.50 0.00 -1.05 1.15 1.06 0.00 0.00 176.91 177.57 3h9f h THR 728 N 0.00 0.68 -0.35 2.22 2.02 0.16 -3.42 112.91 114.22 3h9f h THR 728 Ca 0.00 -1.87 0.00 0.00 0.77 0.00 0.00 66.41 65.31 3h9f h THR 728 Cb 0.33 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 3h9f h THR 728 CO 0.00 0.23 0.00 -1.22 0.37 0.00 0.00 175.52 174.90 3h9f n TYR 729 N -4.48 0.45 -1.08 3.16 4.01 0.17 -4.97 117.16 114.42 3h9f n TYR 729 Ca -0.25 -0.26 -0.03 0.00 -0.16 0.00 0.00 57.90 57.20 3h9f n TYR 729 Cb 0.57 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.58 3h9f n TYR 729 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h9f n GLY 730 N 1.29 0.55 3.55 2.72 0.00 0.53 -4.96 105.19 108.86 3h9f n GLY 730 Ca 0.17 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 3h9f n GLY 730 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h9f s LYS 731 N -1.38 0.75 0.52 1.61 2.20 -1.22 -5.03 119.74 117.19 3h9f s LYS 731 Ca 0.00 0.12 -0.07 0.00 -0.36 0.00 0.00 55.97 55.66 3h9f s LYS 731 Cb 0.00 0.35 -0.03 0.00 -1.51 0.00 0.00 37.83 36.64 3h9f s LYS 731 CO 0.00 -0.25 0.86 0.95 -0.36 0.00 0.00 175.35 176.55 3h9f s THR 732 N -1.39 4.78 0.60 3.43 -4.23 -1.26 -3.43 115.64 114.13 3h9f s THR 732 Ca -0.03 0.36 0.30 0.00 -1.18 0.00 0.00 61.69 61.13 3h9f s THR 732 Cb -0.00 -3.84 0.36 0.00 1.34 0.00 0.00 72.50 70.36 3h9f s THR 732 CO 0.02 -0.90 2.11 -0.65 -0.54 0.00 0.00 174.62 174.66 3h9f h PRO 733 N 0.06 0.00 0.00 3.99 0.11 -1.87 -2.59 132.00 131.69 3h9f h PRO 733 Ca -0.46 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 3h9f h PRO 733 Cb 1.20 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.14 3h9f h PRO 733 CO 0.62 0.00 -0.72 1.19 -0.21 0.00 0.00 178.00 178.87 3h9f n PHE 734 N -3.72 0.00 0.17 0.65 3.72 -1.26 -4.77 117.46 112.25 3h9f n PHE 734 Ca 0.01 -0.95 0.16 0.00 -0.05 0.00 0.00 57.45 56.62 3h9f n PHE 734 Cb 0.32 -0.19 0.75 0.00 -0.94 0.00 0.00 39.48 39.42 3h9f n PHE 734 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3h9f h GLN 735 N 0.91 0.00 0.00 -1.08 4.15 -1.84 -2.86 115.11 114.38 3h9f h GLN 735 Ca -0.10 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.22 3h9f h GLN 735 Cb 1.43 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.10 3h9f h GLN 735 CO 0.05 0.00 -0.47 -0.56 -1.93 0.00 0.00 178.83 175.91 3h9f h GLN 736 N 0.00 0.00 -5.78 1.69 -0.00 -1.86 -3.41 115.11 105.75 3h9f h GLN 736 Ca 0.11 0.00 -0.62 0.00 -0.00 0.00 0.00 58.65 58.13 3h9f h GLN 736 Cb 0.49 0.00 -0.13 0.00 -0.00 0.00 0.00 27.48 27.84 3h9f h GLN 736 CO -0.00 0.47 0.41 0.42 -0.00 0.00 0.00 178.83 180.14 3h9f s ILE 737 N -3.67 4.57 -0.13 1.86 1.01 -1.08 -4.93 121.20 118.83 3h9f s ILE 737 Ca -0.01 0.34 0.16 0.00 0.00 0.00 0.00 60.65 61.14 3h9f s ILE 737 Cb 0.12 -4.40 -0.24 0.00 0.01 0.00 0.00 42.46 37.96 3h9f s ILE 737 CO 0.72 -0.85 0.36 -0.38 0.00 0.00 0.00 174.94 174.78 3h9f n ILE 738 N 6.14 1.47 -2.22 2.92 5.41 -1.26 -4.73 119.36 127.09 3h9f n ILE 738 Ca 0.02 -0.82 -0.40 0.00 1.00 0.00 0.00 62.75 62.54 3h9f n ILE 738 Cb 0.48 -0.72 -0.03 0.00 -0.71 0.00 0.00 39.64 38.66 3h9f n ILE 738 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3h9f s ASN 739 N -5.76 6.91 -0.13 4.38 3.84 -1.26 -4.97 114.94 117.95 3h9f s ASN 739 Ca -0.07 2.56 -0.04 0.00 0.21 0.00 0.00 52.86 55.52 3h9f s ASN 739 Cb 0.07 -2.64 -0.25 0.00 -0.55 0.00 0.00 41.25 37.88 3h9f s ASN 739 CO 0.83 -0.42 0.31 0.00 -2.79 0.00 0.00 177.10 175.03 3h9f n GLN 740 N 0.89 0.74 -0.18 0.43 1.13 -1.26 -1.43 117.38 117.70 3h9f n GLN 740 Ca -0.00 0.25 -0.01 0.00 -1.94 0.00 0.00 57.00 55.30 3h9f n GLN 740 Cb 0.43 -1.69 0.08 0.00 0.11 0.00 0.00 30.24 29.17 3h9f n GLN 740 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3h9f h ILE 741 N 0.06 0.57 -0.41 5.09 5.03 -1.99 0.28 117.51 126.15 3h9f h ILE 741 Ca -0.43 -0.05 -0.08 0.00 -0.12 0.00 0.00 64.86 64.17 3h9f h ILE 741 Cb 2.02 0.42 -0.02 0.00 -3.03 0.00 0.00 36.82 36.21 3h9f h ILE 741 CO 0.07 0.03 -0.09 0.28 -0.68 0.00 0.00 178.15 177.75 3h9f h SER 742 N 0.14 0.70 -0.08 1.72 0.02 -1.97 -1.13 113.55 112.96 3h9f h SER 742 Ca 0.29 -0.20 -0.15 0.00 -0.84 0.00 0.00 61.79 60.89 3h9f h SER 742 Cb 0.45 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.81 3h9f h SER 742 CO -0.45 0.83 -0.55 0.50 -1.14 0.00 0.00 176.83 176.01 3h9f h LYS 743 N 0.65 0.51 -0.65 3.45 3.64 -0.74 -2.44 116.57 121.00 3h9f h LYS 743 Ca 0.12 -0.45 0.05 0.00 -1.27 0.00 0.00 60.65 59.10 3h9f h LYS 743 Cb 0.54 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.41 3h9f h LYS 743 CO 0.03 1.08 0.37 -0.07 -2.27 0.00 0.00 179.45 178.60 3h9f h LEU 744 N 0.09 0.57 -0.90 5.20 3.38 -0.34 -2.29 115.31 121.02 3h9f h LEU 744 Ca -0.05 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3h9f h LEU 744 Cb 1.21 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.82 3h9f h LEU 744 CO 0.11 0.38 0.58 0.45 0.09 0.00 0.00 178.44 180.05 3h9f h HIS 745 N 0.70 1.09 -0.26 1.13 3.86 -1.18 -2.96 115.15 117.54 3h9f h HIS 745 Ca 0.28 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.38 3h9f h HIS 745 Cb 0.14 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.24 3h9f h HIS 745 CO -0.07 0.64 -0.41 0.00 0.86 0.00 0.00 177.93 178.95 3h9f h ALA 746 N 1.36 0.80 -0.48 2.45 0.00 -0.92 -2.38 119.26 120.09 3h9f h ALA 746 Ca 0.35 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3h9f h ALA 746 Cb -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3h9f h ALA 746 CO -0.11 0.65 0.18 0.82 0.00 0.00 0.00 179.25 180.79 3h9f h ILE 747 N 0.51 1.19 0.00 0.00 2.04 -1.26 -2.89 117.51 117.10 3h9f h ILE 747 Ca 0.04 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.30 3h9f h ILE 747 Cb 0.92 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 3h9f h ILE 747 CO 0.08 0.23 -0.61 2.30 0.00 0.00 0.00 178.15 180.15 3h9f n ILE 748 N -4.34 0.10 -3.00 -0.67 -5.35 -1.05 -4.73 119.36 100.32 3h9f n ILE 748 Ca 0.04 -0.09 -0.42 0.00 -0.27 0.00 0.00 62.75 62.01 3h9f n ILE 748 Cb 0.17 0.19 -0.06 0.00 -1.74 0.00 0.00 39.64 38.20 3h9f n ILE 748 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3h9f s ASP 749 N -3.37 6.47 0.43 7.28 3.68 -0.92 -4.95 116.67 125.30 3h9f s ASP 749 Ca 0.09 0.14 0.24 0.00 2.13 0.00 0.00 52.55 55.15 3h9f s ASP 749 Cb 0.16 -2.37 0.88 0.00 -1.45 0.00 0.00 42.92 40.14 3h9f s ASP 749 CO 0.72 -0.76 1.81 1.55 0.13 0.00 0.00 175.17 178.63 3h9f h PRO 750 N 8.64 0.00 -0.11 4.34 0.13 -1.89 -2.16 132.00 140.94 3h9f h PRO 750 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3h9f h PRO 750 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3h9f h PRO 750 CO 0.91 0.23 0.00 0.09 -0.23 0.00 0.00 178.00 179.00 3h9f n ASN 751 N -3.39 0.26 -4.31 1.44 3.02 -1.26 -4.27 115.26 106.75 3h9f n ASN 751 Ca 0.00 -2.00 -0.46 0.00 -0.03 0.00 0.00 54.58 52.09 3h9f n ASN 751 Cb 0.44 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.52 3h9f n ASN 751 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3h9f s HIS 752 N -1.89 3.68 0.03 3.10 2.46 -0.82 -5.05 115.29 116.81 3h9f s HIS 752 Ca 0.02 -1.94 -0.30 0.00 0.47 0.00 0.00 55.06 53.31 3h9f s HIS 752 Cb 0.01 -3.78 -0.08 0.00 -0.13 0.00 0.00 32.58 28.60 3h9f s HIS 752 CO 0.01 -0.99 1.77 -1.21 -2.47 0.00 0.00 174.74 171.85 3h9f s GLU 753 N 0.35 4.17 0.38 2.88 8.01 -1.26 -4.97 118.70 128.25 3h9f s GLU 753 Ca 0.16 2.40 -0.25 0.00 0.01 0.00 0.00 54.97 57.29 3h9f s GLU 753 Cb -0.13 -3.88 -0.09 0.00 -4.31 0.00 0.00 34.13 25.72 3h9f s GLU 753 CO -0.07 -0.84 1.08 0.42 0.01 0.00 0.00 175.26 175.85 3h9f s ILE 754 N 3.61 3.58 0.20 -1.63 1.01 -1.26 -5.04 121.20 121.67 3h9f s ILE 754 Ca 0.79 1.30 -0.16 0.00 0.00 0.00 0.00 60.65 62.58 3h9f s ILE 754 Cb -0.39 -3.72 -0.08 0.00 0.01 0.00 0.00 42.46 38.28 3h9f s ILE 754 CO 0.35 0.09 0.64 -1.61 0.00 0.00 0.00 174.94 174.41 3h9f s GLU 755 N -2.26 4.08 -0.41 2.79 2.02 -1.26 -5.03 118.70 118.63 3h9f s GLU 755 Ca 0.55 0.65 0.07 0.00 0.02 0.00 0.00 54.97 56.27 3h9f s GLU 755 Cb -0.25 -2.84 0.24 0.00 0.10 0.00 0.00 34.13 31.38 3h9f s GLU 755 CO 0.32 0.40 0.59 1.19 0.02 0.00 0.00 175.26 177.78 3h9f n PHE 756 N 0.59 -1.04 -1.62 1.61 3.72 -1.26 -5.08 117.46 114.38 3h9f n PHE 756 Ca -0.03 -3.16 -0.45 0.00 -0.05 0.00 0.00 57.45 53.77 3h9f n PHE 756 Cb 0.52 0.08 -0.02 0.00 -0.94 0.00 0.00 39.48 39.12 3h9f n PHE 756 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3h9f n PRO 757 N 1.54 1.59 -1.62 -1.08 -0.02 -1.26 -4.87 135.00 129.29 3h9f n PRO 757 Ca 0.19 0.56 -0.42 0.00 -2.02 0.00 0.00 63.50 61.80 3h9f n PRO 757 Cb 0.55 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3h9f n PRO 757 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3h9f n ASP 758 N 1.32 1.48 -4.27 2.55 5.75 -1.26 -5.02 116.55 117.10 3h9f n ASP 758 Ca 0.09 1.10 -0.15 0.00 -0.01 0.00 0.00 54.79 55.83 3h9f n ASP 758 Cb 0.32 -1.35 -0.10 0.00 -1.03 0.00 0.00 41.12 38.96 3h9f n ASP 758 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 3h9f s ILE 759 N -1.19 0.59 0.53 2.12 -4.36 -1.26 -5.05 121.20 112.58 3h9f s ILE 759 Ca 0.61 -1.99 0.22 0.00 -0.26 0.00 0.00 60.65 59.22 3h9f s ILE 759 Cb -0.60 -2.36 0.35 0.00 1.25 0.00 0.00 42.46 41.10 3h9f s ILE 759 CO 0.59 -0.25 2.06 -0.65 0.24 0.00 0.00 174.94 176.92 3h9f h PRO 760 N 2.56 0.00 -4.44 0.37 0.11 -2.05 -3.38 132.00 125.18 3h9f h PRO 760 Ca -0.37 0.00 -0.73 0.00 0.11 0.00 0.00 66.00 65.01 3h9f h PRO 760 Cb 1.22 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.12 3h9f h PRO 760 CO 0.61 0.00 0.10 -1.21 -0.21 0.00 0.00 178.00 177.29 3h9f s GLU 761 N -5.03 3.17 0.32 1.05 2.02 -1.26 -4.90 118.70 114.07 3h9f s GLU 761 Ca -0.05 -1.63 0.06 0.00 0.02 0.00 0.00 54.97 53.37 3h9f s GLU 761 Cb 0.19 -4.36 0.55 0.00 0.10 0.00 0.00 34.13 30.61 3h9f s GLU 761 CO 0.71 -1.47 1.79 0.87 0.02 0.00 0.00 175.26 177.17 3h9f h LYS 762 N 8.86 0.33 -0.27 1.61 6.56 -2.00 -2.35 116.57 129.31 3h9f h LYS 762 Ca -0.19 -0.11 -0.01 0.00 -1.06 0.00 0.00 60.65 59.27 3h9f h LYS 762 Cb 1.08 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.70 3h9f h LYS 762 CO 1.03 0.56 0.11 -0.44 -2.06 0.00 0.00 179.45 178.66 3h9f h ASP 763 N 0.30 0.37 -0.83 0.86 3.32 -1.96 -1.41 116.42 117.07 3h9f h ASP 763 Ca 0.05 -0.15 0.15 0.00 0.02 0.00 0.00 57.03 57.09 3h9f h ASP 763 Cb 0.60 -0.10 -0.09 0.00 0.22 0.00 0.00 39.33 39.96 3h9f h ASP 763 CO 0.04 0.42 0.41 0.25 -1.72 0.00 0.00 179.24 178.64 3h9f h LEU 764 N 0.29 0.47 -0.82 1.55 5.85 -1.88 -1.06 115.31 119.71 3h9f h LEU 764 Ca 0.09 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 3h9f h LEU 764 Cb 0.16 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3h9f h LEU 764 CO -0.01 0.19 0.20 -0.61 -0.34 0.00 0.00 178.44 177.87 3h9f h GLN 765 N 0.58 1.08 -0.08 1.25 4.15 -0.83 -2.48 115.11 118.77 3h9f h GLN 765 Ca 0.45 -0.23 -0.21 0.00 0.77 0.00 0.00 58.65 59.43 3h9f h GLN 765 Cb 0.66 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.20 3h9f h GLN 765 CO -0.38 0.93 -0.81 0.22 -1.93 0.00 0.00 178.83 176.86 3h9f h ASP 766 N 1.03 0.67 -0.33 -0.69 1.82 -0.35 -2.18 116.42 116.39 3h9f h ASP 766 Ca 0.22 -0.46 -0.00 0.00 -0.39 0.00 0.00 57.03 56.39 3h9f h ASP 766 Cb 0.32 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 40.11 3h9f h ASP 766 CO -0.00 1.24 0.19 0.58 -1.61 0.00 0.00 179.24 179.63 3h9f h VAL 767 N 0.36 1.13 -0.10 2.25 2.07 -1.07 -0.56 116.25 120.33 3h9f h VAL 767 Ca -0.05 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 3h9f h VAL 767 Cb 1.42 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3h9f h VAL 767 CO 0.15 0.13 0.03 -0.07 0.02 0.00 0.00 177.57 177.83 3h9f h LEU 768 N 0.41 0.14 -1.37 2.57 3.38 -1.46 0.32 115.31 119.30 3h9f h LEU 768 Ca 0.12 -0.19 0.14 0.00 0.09 0.00 0.00 57.88 58.04 3h9f h LEU 768 Cb 0.04 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 3h9f h LEU 768 CO -0.02 0.29 0.55 0.11 0.09 0.00 0.00 178.44 179.46 3h9f h LYS 769 N -0.02 0.60 0.00 1.13 1.57 -1.16 -1.26 116.57 117.43 3h9f h LYS 769 Ca 0.03 -0.04 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 3h9f h LYS 769 Cb 0.20 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3h9f h LYS 769 CO -0.00 0.40 -1.00 0.00 -0.57 0.00 0.00 179.45 178.28 3h9f n LEU 772 N -3.94 5.44 -4.70 0.00 4.77 -0.54 -4.10 117.00 113.93 3h9f n LEU 772 Ca -0.05 -2.84 -0.42 0.00 -0.03 0.00 0.00 56.01 52.67 3h9f n LEU 772 Cb 0.66 -0.72 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 3h9f n LEU 772 CO 0.49 0.77 0.91 -0.54 -1.33 0.00 0.00 177.39 177.69 3h9f s LYS 773 N -2.51 4.39 0.41 3.23 1.02 -1.23 -4.94 119.74 120.12 3h9f s LYS 773 Ca 0.44 1.68 0.17 0.00 0.02 0.00 0.00 55.97 58.28 3h9f s LYS 773 Cb 0.36 -3.48 0.87 0.00 -0.52 0.00 0.00 37.83 35.06 3h9f s LYS 773 CO 0.10 -0.35 1.87 0.00 -0.92 0.00 0.00 175.35 176.05 3h9f h ARG 774 N 7.19 0.00 -5.73 1.68 3.08 -1.95 -3.40 114.38 115.26 3h9f h ARG 774 Ca -0.37 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.05 3h9f h ARG 774 Cb 1.18 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.10 3h9f h ARG 774 CO 0.85 0.31 0.43 0.34 -1.07 0.00 0.00 179.97 180.83 3h9f s ASP 775 N -6.69 6.35 0.49 7.04 -1.08 -1.26 -4.73 116.67 116.79 3h9f s ASP 775 Ca -0.02 -0.33 0.22 0.00 -0.52 0.00 0.00 52.55 51.90 3h9f s ASP 775 Cb 0.14 -2.40 1.26 0.00 -1.46 0.00 0.00 42.92 40.46 3h9f s ASP 775 CO 0.69 -1.08 1.94 1.55 0.52 0.00 0.00 175.17 178.79 3h9f h PRO 776 N 9.15 0.18 -0.61 4.34 0.13 -1.95 0.18 132.00 143.42 3h9f h PRO 776 Ca -0.26 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.82 3h9f h PRO 776 Cb 1.08 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.14 3h9f h PRO 776 CO 1.03 0.12 0.20 0.87 -0.23 0.00 0.00 178.00 179.98 3h9f h LYS 777 N 0.18 0.92 -0.13 0.86 1.57 -1.94 -2.26 116.57 115.77 3h9f h LYS 777 Ca 0.35 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3h9f h LYS 777 Cb 1.10 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.26 3h9f h LYS 777 CO -0.06 0.78 0.00 1.04 -0.57 0.00 0.00 179.45 180.64 3h9f n GLN 778 N -4.29 1.71 -2.93 3.15 1.13 0.56 -4.90 117.38 111.81 3h9f n GLN 778 Ca 0.05 -1.06 -0.32 0.00 -1.94 0.00 0.00 57.00 53.73 3h9f n GLN 778 Cb 0.20 -1.42 -0.06 0.00 0.11 0.00 0.00 30.24 29.08 3h9f n GLN 778 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 3h9f s ARG 779 N -1.85 4.01 0.45 -1.09 3.52 -0.78 -4.92 118.95 118.29 3h9f s ARG 779 Ca 0.34 0.77 -0.22 0.00 -0.13 0.00 0.00 55.73 56.49 3h9f s ARG 779 Cb 0.18 -2.33 -0.09 0.00 -1.56 0.00 0.00 34.95 31.15 3h9f s ARG 779 CO 0.28 0.03 1.04 -1.50 -0.81 0.00 0.00 175.30 174.34 3h9f s ILE 780 N -2.17 3.78 0.40 4.11 2.07 -0.94 -5.01 121.20 123.45 3h9f s ILE 780 Ca 0.56 1.20 0.02 0.00 -1.41 0.00 0.00 60.65 61.03 3h9f s ILE 780 Cb -0.10 -3.54 -0.01 0.00 0.13 0.00 0.00 42.46 38.94 3h9f s ILE 780 CO 0.20 -0.15 0.59 -0.94 -1.91 0.00 0.00 174.94 172.74 3h9f s SER 781 N -1.82 5.91 0.11 4.50 1.04 -1.26 -4.90 113.70 117.28 3h9f s SER 781 Ca 0.63 0.14 -0.17 0.00 0.48 0.00 0.00 55.95 57.04 3h9f s SER 781 Cb -0.18 -1.48 -0.04 0.00 0.10 0.00 0.00 66.02 64.42 3h9f s SER 781 CO 0.23 -0.58 1.59 0.40 0.98 0.00 0.00 173.24 175.86 3h9f h ILE 782 N 0.59 1.23 -0.51 -1.02 1.08 -1.96 0.27 117.51 117.19 3h9f h ILE 782 Ca -0.46 -0.80 -0.03 0.00 -0.39 0.00 0.00 64.86 63.18 3h9f h ILE 782 Cb 1.25 1.13 -0.02 0.00 -3.07 0.00 0.00 36.82 36.10 3h9f h ILE 782 CO 0.56 0.27 0.18 -0.65 -0.69 0.00 0.00 178.15 177.82 3h9f h PRO 783 N 0.37 0.74 0.70 2.37 0.11 -1.99 -1.14 132.00 133.16 3h9f h PRO 783 Ca 0.10 -0.12 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 3h9f h PRO 783 Cb 0.33 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.32 3h9f h PRO 783 CO 0.00 0.63 -0.36 0.93 -0.21 0.00 0.00 178.00 178.99 3h9f h GLU 784 N 0.73 -0.94 -0.85 1.05 5.08 -1.89 -3.11 114.58 114.65 3h9f h GLU 784 Ca 0.17 0.06 0.20 0.00 -1.00 0.00 0.00 59.36 58.79 3h9f h GLU 784 Cb 0.18 0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 3h9f h GLU 784 CO -0.01 -0.62 0.57 -0.07 -1.00 0.00 0.00 179.01 177.88 3h9f h LEU 785 N -0.97 0.33 -1.06 1.33 3.38 -0.07 0.23 115.31 118.49 3h9f h LEU 785 Ca -0.09 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3h9f h LEU 785 Cb 0.76 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3h9f h LEU 785 CO 0.14 0.14 0.00 -0.07 0.09 0.00 0.00 178.44 178.74 3h9f h LEU 786 N 0.34 0.00 -1.91 1.67 3.38 -1.15 -2.46 115.31 115.17 3h9f h LEU 786 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 3h9f h LEU 786 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3h9f h LEU 786 CO -0.14 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.39 3h9f n ALA 787 N -1.94 2.45 -1.81 1.53 0.00 0.81 -4.76 120.51 116.78 3h9f n ALA 787 Ca 0.01 -0.83 -0.33 0.00 0.00 0.00 0.00 53.44 52.29 3h9f n ALA 787 Cb 0.28 -0.94 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 3h9f n ALA 787 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3h9f s HIS 788 N -1.60 3.24 0.43 0.00 5.04 -0.93 -4.88 115.29 116.59 3h9f s HIS 788 Ca 0.36 1.61 0.11 0.00 -1.54 0.00 0.00 55.06 55.59 3h9f s HIS 788 Cb 0.21 -2.91 0.94 0.00 0.04 0.00 0.00 32.58 30.86 3h9f s HIS 788 CO 0.30 -0.29 2.02 -1.35 -2.34 0.00 0.00 174.74 173.08 3h9f h PRO 789 N 1.85 0.25 -1.00 2.88 0.11 -1.94 -1.98 132.00 132.19 3h9f h PRO 789 Ca -0.49 -0.03 0.20 0.00 0.11 0.00 0.00 66.00 65.79 3h9f h PRO 789 Cb 1.19 -0.05 -0.10 0.00 0.11 0.00 0.00 31.00 32.15 3h9f h PRO 789 CO 0.61 0.27 0.61 -0.92 -0.21 0.00 0.00 178.00 178.36 3h9f h TYR 790 N 0.25 0.98 0.00 0.65 3.20 -1.88 -0.67 116.97 119.51 3h9f h TYR 790 Ca 0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3h9f h TYR 790 Cb 0.15 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.12 3h9f h TYR 790 CO 0.00 0.21 -1.41 1.33 -1.64 0.00 0.00 178.16 176.65 3h9f n VAL 791 N -4.73 0.13 -0.03 1.81 0.24 -0.88 -4.59 118.33 110.29 3h9f n VAL 791 Ca 0.23 -0.34 0.03 0.00 -2.04 0.00 0.00 64.34 62.22 3h9f n VAL 791 Cb 0.62 0.19 -0.12 0.00 -1.47 0.00 0.00 33.84 33.05 3h9f n VAL 791 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h9f n GLN 792 N -2.09 0.82 -4.40 7.34 1.13 -0.80 -4.95 117.38 114.43 3h9f n GLN 792 Ca -0.00 -0.10 -0.34 0.00 -1.94 0.00 0.00 57.00 54.61 3h9f n GLN 792 Cb 0.49 -1.39 -0.12 0.00 0.11 0.00 0.00 30.24 29.33 3h9f n GLN 792 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3h9f s ILE 793 N -2.89 3.91 -2.02 5.09 1.01 -0.31 -5.05 121.20 120.95 3h9f s ILE 793 Ca -0.06 -0.35 0.32 0.00 0.00 0.00 0.00 60.65 60.55 3h9f s ILE 793 Cb 0.09 -2.72 0.90 0.00 0.01 0.00 0.00 42.46 40.74 3h9f s ILE 793 CO 0.66 0.49 2.21 0.00 0.00 0.00 0.00 174.94 178.31