#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hmn s ILE 518 N -3.93 1.19 -0.20 0.00 1.01 -0.32 -4.97 121.20 113.98 3hmn s ILE 518 Ca 0.20 -0.48 -0.14 0.00 0.00 0.00 0.00 60.65 60.23 3hmn s ILE 518 Cb 0.07 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 3hmn s ILE 518 CO -0.01 0.38 0.31 -0.55 0.00 0.00 0.00 174.94 175.07 3hmn s SER 519 N 0.94 6.36 -0.20 3.58 0.15 -1.26 -0.95 113.70 122.32 3hmn s SER 519 Ca -0.09 0.42 -0.01 0.00 0.70 0.00 0.00 55.95 56.97 3hmn s SER 519 Cb -0.15 -2.19 0.06 0.00 -1.71 0.00 0.00 66.02 62.03 3hmn s SER 519 CO 0.00 0.01 -0.00 -0.69 1.20 0.00 0.00 173.24 173.76 3hmn s VAL 520 N 1.01 0.89 -1.33 4.45 1.01 -0.57 -4.80 120.40 121.05 3hmn s VAL 520 Ca 0.16 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 3hmn s VAL 520 Cb -0.14 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 34.97 3hmn s VAL 520 CO 0.06 -0.14 0.79 0.29 0.00 0.00 0.00 175.10 176.10 3hmn n LYS 521 N 4.92 -5.29 -3.48 2.72 4.76 -1.26 -2.70 118.16 117.82 3hmn n LYS 521 Ca -0.10 0.65 -0.18 0.00 -2.87 0.00 0.00 58.31 55.80 3hmn n LYS 521 Cb 0.46 -5.32 0.08 0.00 -1.84 0.00 0.00 35.03 28.41 3hmn n LYS 521 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hmn n GLY 522 N -1.57 -0.36 2.92 0.72 0.00 -1.26 -5.02 105.19 100.62 3hmn n GLY 522 Ca -0.24 0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 3hmn n GLY 522 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hmn s ARG 523 N -5.51 0.09 -0.10 1.61 0.52 -1.10 -5.13 118.95 109.32 3hmn s ARG 523 Ca 0.04 0.61 -0.26 0.00 -0.52 0.00 0.00 55.73 55.61 3hmn s ARG 523 Cb -0.02 -0.17 -0.02 0.00 0.52 0.00 0.00 34.95 35.26 3hmn s ARG 523 CO 0.74 -0.28 0.83 0.42 0.02 0.00 0.00 175.30 177.03 3hmn s ILE 524 N 2.18 4.93 -0.03 1.52 -1.09 -1.26 -1.51 121.20 125.93 3hmn s ILE 524 Ca 0.01 1.67 0.07 0.00 -2.23 0.00 0.00 60.65 60.17 3hmn s ILE 524 Cb -0.12 -4.15 -0.02 0.00 -1.58 0.00 0.00 42.46 36.59 3hmn s ILE 524 CO -0.07 0.12 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.21 3hmn s TYR 525 N 1.50 2.39 -0.11 3.97 2.02 -0.13 -3.93 117.35 123.06 3hmn s TYR 525 Ca 0.41 -0.41 -0.03 0.00 -0.37 0.00 0.00 57.07 56.67 3hmn s TYR 525 Cb -0.18 -1.52 -0.03 0.00 -0.40 0.00 0.00 41.96 39.82 3hmn s TYR 525 CO 0.17 -0.02 0.03 -1.54 -1.57 0.00 0.00 175.55 172.63 3hmn s SER 526 N -0.61 5.44 -0.48 2.29 1.04 0.17 -1.18 113.70 120.37 3hmn s SER 526 Ca 0.10 0.17 -0.24 0.00 0.48 0.00 0.00 55.95 56.46 3hmn s SER 526 Cb -0.10 -1.64 0.03 0.00 0.10 0.00 0.00 66.02 64.41 3hmn s SER 526 CO -0.01 0.35 0.86 -0.63 0.98 0.00 0.00 173.24 174.79 3hmn s ILE 527 N -0.70 4.54 -0.00 -1.02 1.01 -1.17 -1.18 121.20 122.68 3hmn s ILE 527 Ca 0.11 0.45 -0.25 0.00 0.00 0.00 0.00 60.65 60.96 3hmn s ILE 527 Cb -0.12 -4.41 -0.19 0.00 0.01 0.00 0.00 42.46 37.76 3hmn s ILE 527 CO 0.02 -0.85 1.33 -0.07 0.00 0.00 0.00 174.94 175.37 3hmn h LEU 528 N 10.45 -0.04 -7.48 2.97 3.38 -1.31 -3.44 115.31 119.84 3hmn h LEU 528 Ca -0.25 -0.38 0.17 0.00 0.09 0.00 0.00 57.88 57.51 3hmn h LEU 528 Cb 1.08 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.74 3hmn h LEU 528 CO 1.01 0.36 0.51 -1.59 0.09 0.00 0.00 178.44 178.82 3hmn s LYS 529 N -4.59 1.06 -0.08 1.13 -2.85 -1.18 -5.02 119.74 108.22 3hmn s LYS 529 Ca -0.15 -0.55 -0.19 0.00 -1.00 0.00 0.00 55.97 54.08 3hmn s LYS 529 Cb 0.02 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 36.14 3hmn s LYS 529 CO 0.66 -0.48 0.53 -1.14 0.10 0.00 0.00 175.35 175.01 3hmn s GLN 530 N -3.20 4.32 -0.14 1.78 0.74 -1.26 -0.49 119.66 121.40 3hmn s GLN 530 Ca 0.11 0.57 -0.20 0.00 0.05 0.00 0.00 55.36 55.88 3hmn s GLN 530 Cb -0.01 -3.40 -0.03 0.00 1.10 0.00 0.00 33.01 30.66 3hmn s GLN 530 CO -0.01 0.22 0.59 0.42 -0.55 0.00 0.00 175.29 175.97 3hmn s ILE 531 N 0.36 5.08 0.00 -2.34 1.01 -0.17 -4.87 121.20 120.28 3hmn s ILE 531 Ca 0.29 1.16 0.00 0.00 0.00 0.00 0.00 60.65 62.10 3hmn s ILE 531 Cb -0.16 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.39 3hmn s ILE 531 CO 0.13 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.90 3hmn n GLY 532 N 3.47 1.35 2.97 6.18 0.00 -1.26 -4.28 105.19 113.63 3hmn n GLY 532 Ca -0.03 -0.64 0.02 0.00 0.00 0.00 0.00 46.02 45.37 3hmn n GLY 532 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hmn s SER 533 N -4.00 -0.84 0.73 1.61 1.04 -1.26 -5.03 113.70 105.95 3hmn s SER 533 Ca 0.00 -0.36 -0.05 0.00 0.48 0.00 0.00 55.95 56.02 3hmn s SER 533 Cb 0.00 1.12 0.10 0.00 0.10 0.00 0.00 66.02 67.34 3hmn s SER 533 CO 0.00 -0.10 1.02 -0.83 0.98 0.00 0.00 173.24 174.31 3hmn s GLY 534 N 2.03 1.75 -0.24 7.32 0.00 -1.24 -5.09 107.32 111.85 3hmn s GLY 534 Ca 0.16 -1.32 0.01 0.00 0.00 0.00 0.00 44.72 43.56 3hmn s GLY 534 CO -0.13 -0.82 -0.10 -0.32 0.00 0.00 0.00 173.10 171.73 3hmn s GLY 535 N -4.64 1.60 0.00 0.20 0.00 -1.26 -4.62 107.32 98.60 3hmn s GLY 535 Ca 0.64 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.79 3hmn s GLY 535 CO 0.45 0.52 0.00 -1.14 0.00 0.00 0.00 173.10 172.93 3hmn n SER 536 N 4.56 0.00 -4.19 1.64 3.41 -1.26 -4.94 113.62 112.84 3hmn n SER 536 Ca -0.16 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.17 3hmn n SER 536 Cb 0.45 -0.18 -0.16 0.00 -0.26 0.00 0.00 64.21 64.06 3hmn n SER 536 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3hmn s SER 537 N -1.78 2.51 -0.06 4.04 0.15 -1.26 -0.73 113.70 116.57 3hmn s SER 537 Ca 0.00 -0.41 -0.04 0.00 0.70 0.00 0.00 55.95 56.19 3hmn s SER 537 Cb 0.00 -0.65 0.03 0.00 -1.71 0.00 0.00 66.02 63.68 3hmn s SER 537 CO 0.00 0.20 0.16 -0.54 1.20 0.00 0.00 173.24 174.25 3hmn s LYS 538 N -0.08 0.15 -0.13 5.44 1.02 0.16 -3.61 119.74 122.69 3hmn s LYS 538 Ca -0.03 0.29 -0.04 0.00 0.02 0.00 0.00 55.97 56.21 3hmn s LYS 538 Cb -0.12 -0.02 -0.04 0.00 -0.52 0.00 0.00 37.83 37.14 3hmn s LYS 538 CO 0.02 -0.08 0.02 0.08 -0.92 0.00 0.00 175.35 174.48 3hmn s VAL 539 N 0.54 4.48 -0.07 3.17 1.01 -1.26 0.32 120.40 128.60 3hmn s VAL 539 Ca -0.04 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.82 3hmn s VAL 539 Cb -0.05 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.38 3hmn s VAL 539 CO -0.03 0.54 -0.19 -0.36 0.00 0.00 0.00 175.10 175.07 3hmn s PHE 540 N -0.25 1.99 -0.09 5.22 0.08 -0.01 -1.00 117.98 123.93 3hmn s PHE 540 Ca 0.07 -0.73 -0.30 0.00 0.12 0.00 0.00 56.93 56.09 3hmn s PHE 540 Cb -0.12 -1.36 -0.03 0.00 -0.57 0.00 0.00 43.02 40.94 3hmn s PHE 540 CO 0.02 -0.30 1.21 -1.14 -0.10 0.00 0.00 175.22 174.90 3hmn s GLN 541 N 0.36 4.32 0.10 0.44 0.74 0.35 -0.30 119.66 125.67 3hmn s GLN 541 Ca -0.13 1.65 0.00 0.00 0.05 0.00 0.00 55.36 56.93 3hmn s GLN 541 Cb -0.16 -3.61 -0.04 0.00 1.10 0.00 0.00 33.01 30.30 3hmn s GLN 541 CO 0.05 -0.51 -0.02 0.14 -0.55 0.00 0.00 175.29 174.40 3hmn s VAL 542 N 2.55 0.40 -0.03 1.34 -7.23 -0.23 -0.77 120.40 116.42 3hmn s VAL 542 Ca 0.55 -1.89 0.06 0.00 -1.81 0.00 0.00 61.98 58.89 3hmn s VAL 542 Cb -0.24 -1.75 -0.01 0.00 0.56 0.00 0.00 36.38 34.94 3hmn s VAL 542 CO 0.20 -0.79 -0.21 -0.76 -0.31 0.00 0.00 175.10 173.23 3hmn s LEU 543 N -3.02 2.01 0.00 1.32 1.43 -0.33 -0.53 118.68 119.57 3hmn s LEU 543 Ca 0.14 -0.41 -0.09 0.00 -1.03 0.00 0.00 54.13 52.75 3hmn s LEU 543 Cb 0.07 -1.12 0.14 0.00 0.03 0.00 0.00 46.19 45.30 3hmn s LEU 543 CO -0.04 0.22 0.86 -0.46 0.23 0.00 0.00 176.35 177.16 3hmn n ASN 544 N 2.83 0.26 -0.31 2.29 6.94 -0.71 -0.66 115.26 125.91 3hmn n ASN 544 Ca -0.17 -1.43 0.11 0.00 -0.02 0.00 0.00 54.58 53.07 3hmn n ASN 544 Cb 0.53 -0.64 0.33 0.00 -2.36 0.00 0.00 39.78 37.64 3hmn n ASN 544 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 3hmn h GLU 545 N 0.00 0.76 -0.64 -3.83 4.81 -1.92 -1.45 114.58 112.31 3hmn h GLU 545 Ca -0.28 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3hmn h GLU 545 Cb 0.81 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.02 3hmn h GLU 545 CO 0.21 0.50 0.00 1.63 -0.73 0.00 0.00 179.01 180.63 3hmn n LYS 546 N -4.60 2.48 -2.41 1.92 5.02 -1.26 -4.90 118.16 114.41 3hmn n LYS 546 Ca 0.19 -1.42 -0.19 0.00 -2.02 0.00 0.00 58.31 54.87 3hmn n LYS 546 Cb 0.46 -1.65 -0.01 0.00 -0.02 0.00 0.00 35.03 33.82 3hmn n LYS 546 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3hmn n LYS 547 N 0.38 -1.78 -3.15 1.97 4.76 -0.55 -5.00 118.16 114.80 3hmn n LYS 547 Ca 0.13 0.91 -0.39 0.00 -2.87 0.00 0.00 58.31 56.09 3hmn n LYS 547 Cb 0.55 -5.48 -0.06 0.00 -1.84 0.00 0.00 35.03 28.20 3hmn n LYS 547 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3hmn s GLN 548 N -5.01 4.35 0.04 1.97 -0.21 -1.26 -4.84 119.66 114.71 3hmn s GLN 548 Ca 0.02 0.86 -0.21 0.00 0.02 0.00 0.00 55.36 56.05 3hmn s GLN 548 Cb -0.01 -3.30 -0.06 0.00 1.00 0.00 0.00 33.01 30.64 3hmn s GLN 548 CO 0.03 0.47 0.61 -1.50 -2.12 0.00 0.00 175.29 172.78 3hmn s ILE 549 N -0.60 4.78 0.22 1.08 2.07 -1.26 -1.73 121.20 125.76 3hmn s ILE 549 Ca 0.32 1.30 0.00 0.00 -1.41 0.00 0.00 60.65 60.87 3hmn s ILE 549 Cb -0.20 -3.95 -0.04 0.00 0.13 0.00 0.00 42.46 38.40 3hmn s ILE 549 CO 0.20 0.48 0.15 -0.31 -1.91 0.00 0.00 174.94 173.55 3hmn s TYR 550 N -0.61 1.26 -0.13 3.50 2.02 0.31 -4.51 117.35 119.19 3hmn s TYR 550 Ca 0.31 -1.41 0.02 0.00 -0.37 0.00 0.00 57.07 55.63 3hmn s TYR 550 Cb -0.19 -0.60 0.00 0.00 -0.40 0.00 0.00 41.96 40.77 3hmn s TYR 550 CO 0.19 -0.65 -0.20 0.00 -1.57 0.00 0.00 175.55 173.32 3hmn s ALA 551 N -4.04 2.33 -0.27 3.71 0.00 0.36 -1.07 121.76 122.79 3hmn s ALA 551 Ca 0.39 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 3hmn s ALA 551 Cb 0.06 -1.02 0.02 0.00 0.00 0.00 0.00 23.12 22.19 3hmn s ALA 551 CO 0.14 0.11 -0.00 0.42 0.00 0.00 0.00 175.76 176.43 3hmn s ILE 552 N 0.60 3.32 -0.18 0.00 1.01 0.59 -0.35 121.20 126.19 3hmn s ILE 552 Ca -0.11 -0.92 -0.25 0.00 0.00 0.00 0.00 60.65 59.38 3hmn s ILE 552 Cb -0.16 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 39.58 3hmn s ILE 552 CO 0.03 0.13 0.80 -0.75 0.00 0.00 0.00 174.94 175.15 3hmn s LYS 553 N 1.39 4.28 -0.15 2.79 2.20 -0.70 -0.83 119.74 128.72 3hmn s LYS 553 Ca 0.01 0.96 -0.04 0.00 -0.36 0.00 0.00 55.97 56.53 3hmn s LYS 553 Cb -0.17 -3.58 -0.03 0.00 -1.51 0.00 0.00 37.83 32.54 3hmn s LYS 553 CO -0.01 -0.32 -0.00 -0.47 -0.36 0.00 0.00 175.35 174.18 3hmn s TYR 554 N 2.15 3.11 -0.09 4.03 5.04 0.15 -1.04 117.35 130.70 3hmn s TYR 554 Ca 0.37 -0.10 0.02 0.00 -2.44 0.00 0.00 57.07 54.91 3hmn s TYR 554 Cb -0.16 -1.96 0.01 0.00 0.35 0.00 0.00 41.96 40.21 3hmn s TYR 554 CO 0.12 0.11 -0.13 0.08 -1.34 0.00 0.00 175.55 174.39 3hmn s VAL 555 N 0.12 1.29 -0.11 3.14 1.01 -0.42 -0.66 120.40 124.76 3hmn s VAL 555 Ca 0.01 -0.54 -0.23 0.00 0.00 0.00 0.00 61.98 61.22 3hmn s VAL 555 Cb -0.13 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 3hmn s VAL 555 CO 0.02 0.39 0.70 0.21 0.00 0.00 0.00 175.10 176.42 3hmn s ASN 556 N 0.87 6.92 0.00 3.32 3.84 0.10 -0.83 114.94 129.15 3hmn s ASN 556 Ca -0.10 1.11 0.19 0.00 0.21 0.00 0.00 52.86 54.28 3hmn s ASN 556 Cb -0.15 -2.40 0.11 0.00 -0.55 0.00 0.00 41.25 38.25 3hmn s ASN 556 CO 0.01 -0.18 1.07 0.18 -2.79 0.00 0.00 177.10 175.39 3hmn n LEU 557 N 4.20 2.39 0.31 3.21 4.77 -0.19 -4.64 117.00 127.05 3hmn n LEU 557 Ca -0.01 -0.93 0.18 0.00 -0.03 0.00 0.00 56.01 55.23 3hmn n LEU 557 Cb 0.51 0.00 0.99 0.00 -2.33 0.00 0.00 43.42 42.58 3hmn n LEU 557 CO 0.47 0.42 1.11 -0.33 -1.33 0.00 0.00 177.39 177.72 3hmn h GLU 558 N 3.32 0.00 -0.45 3.23 5.08 -1.80 -1.03 114.58 122.93 3hmn h GLU 558 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hmn h GLU 558 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3hmn h GLU 558 CO 0.00 0.02 0.00 0.39 -1.00 0.00 0.00 179.01 178.42 3hmn n GLU 559 N -3.41 2.88 -3.14 2.33 -0.58 -1.26 -5.00 120.64 112.46 3hmn n GLU 559 Ca -0.02 -2.28 -0.40 0.00 -0.42 0.00 0.00 57.16 54.04 3hmn n GLU 559 Cb 0.13 -1.40 -0.06 0.00 -0.57 0.00 0.00 31.44 29.54 3hmn n GLU 559 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hmn s ALA 560 N -1.12 3.54 1.09 0.62 0.00 -0.39 -5.07 121.76 120.43 3hmn s ALA 560 Ca 0.32 -0.30 -0.17 0.00 0.00 0.00 0.00 51.96 51.81 3hmn s ALA 560 Cb 0.17 -2.94 0.24 0.00 0.00 0.00 0.00 23.12 20.59 3hmn s ALA 560 CO 0.20 -0.54 1.16 0.16 0.00 0.00 0.00 175.76 176.75 3hmn s ASP 561 N 1.20 1.92 0.17 0.00 1.47 -1.26 -4.79 116.67 115.38 3hmn s ASP 561 Ca 0.28 0.63 -0.09 0.00 1.18 0.00 0.00 52.55 54.54 3hmn s ASP 561 Cb -0.16 -0.89 0.04 0.00 -0.34 0.00 0.00 42.92 41.57 3hmn s ASP 561 CO 0.10 -3.50 1.57 0.78 0.68 0.00 0.00 175.17 174.80 3hmn h ASN 562 N -2.16 1.01 -0.85 2.11 2.35 -1.98 -0.81 115.58 115.24 3hmn h ASN 562 Ca -0.46 -0.37 -0.03 0.00 -0.55 0.00 0.00 56.30 54.89 3hmn h ASN 562 Cb 1.29 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 39.34 3hmn h ASN 562 CO 0.41 1.16 0.42 -0.61 -1.65 0.00 0.00 177.43 177.16 3hmn h GLN 563 N 0.86 1.22 0.01 0.81 4.15 -1.99 0.22 115.11 120.39 3hmn h GLN 563 Ca 0.12 -0.17 -0.00 0.00 0.77 0.00 0.00 58.65 59.36 3hmn h GLN 563 Cb 0.76 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.23 3hmn h GLN 563 CO 0.06 0.93 -0.01 1.15 -1.93 0.00 0.00 178.83 179.03 3hmn h THR 564 N 1.21 1.15 -0.49 2.39 2.02 -1.88 -1.97 112.91 115.34 3hmn h THR 564 Ca 0.29 -0.48 0.07 0.00 0.77 0.00 0.00 66.41 67.06 3hmn h THR 564 Cb 0.10 1.47 -0.06 0.00 -1.74 0.00 0.00 68.15 67.93 3hmn h THR 564 CO -0.04 0.12 0.17 -0.07 0.37 0.00 0.00 175.52 176.07 3hmn h LEU 565 N -0.22 0.16 -0.60 2.58 3.38 -0.88 -0.69 115.31 119.03 3hmn h LEU 565 Ca -0.00 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.10 3hmn h LEU 565 Cb 0.21 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 3hmn h LEU 565 CO 0.00 0.12 0.29 -0.78 0.09 0.00 0.00 178.44 178.16 3hmn h ASP 566 N 0.34 0.38 0.55 -0.43 3.58 -0.46 -0.77 116.42 119.60 3hmn h ASP 566 Ca 0.24 0.05 -0.15 0.00 0.42 0.00 0.00 57.03 57.58 3hmn h ASP 566 Cb 0.26 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 3hmn h ASP 566 CO -0.25 0.24 -0.67 0.77 -2.88 0.00 0.00 179.24 176.45 3hmn h SER 567 N 0.53 0.13 -0.44 2.28 4.64 -0.87 -1.11 113.55 118.70 3hmn h SER 567 Ca 0.28 -0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.47 3hmn h SER 567 Cb 0.25 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 3hmn h SER 567 CO -0.22 0.76 0.08 1.88 -0.87 0.00 0.00 176.83 178.46 3hmn h TYR 568 N 0.07 0.76 -0.43 4.77 -1.99 -0.68 -1.55 116.97 117.92 3hmn h TYR 568 Ca -0.01 -0.10 -0.10 0.00 2.00 0.00 0.00 58.73 60.51 3hmn h TYR 568 Cb 1.20 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 39.70 3hmn h TYR 568 CO 0.01 0.72 -0.14 0.00 -0.00 0.00 0.00 178.16 178.75 3hmn h ARG 569 N 0.58 0.80 -0.50 4.88 3.08 -1.05 -2.02 114.38 120.15 3hmn h ARG 569 Ca 0.13 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 3hmn h ARG 569 Cb 0.36 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3hmn h ARG 569 CO 0.01 0.89 0.10 -0.97 -1.07 0.00 0.00 179.97 178.93 3hmn h ASN 570 N 0.71 0.77 -0.14 7.04 -0.73 -1.06 0.63 115.58 122.81 3hmn h ASN 570 Ca 0.11 -0.25 -0.12 0.00 1.87 0.00 0.00 56.30 57.92 3hmn h ASN 570 Cb 0.64 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 39.01 3hmn h ASN 570 CO 0.04 0.82 -0.32 -0.08 -0.37 0.00 0.00 177.43 177.52 3hmn h GLU 571 N 0.69 0.64 -0.66 6.67 4.81 -1.20 -1.65 114.58 123.87 3hmn h GLU 571 Ca 0.15 -0.29 -0.06 0.00 -0.13 0.00 0.00 59.36 59.03 3hmn h GLU 571 Cb 0.36 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 3hmn h GLU 571 CO 0.01 0.88 0.16 0.82 -0.73 0.00 0.00 179.01 180.15 3hmn h ILE 572 N 0.54 1.25 0.29 2.32 2.04 -1.18 -1.10 117.51 121.67 3hmn h ILE 572 Ca 0.06 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 3hmn h ILE 572 Cb 0.82 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3hmn h ILE 572 CO 0.07 0.35 -0.14 0.00 0.00 0.00 0.00 178.15 178.43 3hmn h ALA 573 N 1.19 -0.39 -0.48 1.87 0.00 -0.53 -1.59 119.26 119.32 3hmn h ALA 573 Ca 0.21 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3hmn h ALA 573 Cb 0.34 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3hmn h ALA 573 CO -0.00 -0.70 -0.05 1.88 0.00 0.00 0.00 179.25 180.38 3hmn h TYR 574 N -0.43 0.98 -0.19 0.00 -1.99 -1.26 -1.24 116.97 112.84 3hmn h TYR 574 Ca -0.04 -0.19 0.00 0.00 2.00 0.00 0.00 58.73 60.50 3hmn h TYR 574 Cb 0.33 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 38.80 3hmn h TYR 574 CO -0.05 0.94 0.13 1.25 -0.00 0.00 0.00 178.16 180.43 3hmn h LEU 575 N 0.74 0.22 -0.98 3.88 5.85 -1.20 0.20 115.31 124.02 3hmn h LEU 575 Ca 0.13 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.92 3hmn h LEU 575 Cb 0.58 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 3hmn h LEU 575 CO 0.03 0.16 0.63 -1.13 -0.34 0.00 0.00 178.44 177.80 3hmn h ASN 576 N 0.26 0.99 -0.00 1.25 -1.24 -1.19 -2.91 115.58 112.73 3hmn h ASN 576 Ca 0.07 0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.07 3hmn h ASN 576 Cb -0.03 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 38.84 3hmn h ASN 576 CO -0.02 0.61 -0.12 0.50 -1.29 0.00 0.00 177.43 177.11 3hmn h LYS 577 N 1.11 0.09 0.00 6.67 1.63 -0.62 -3.33 116.57 122.12 3hmn h LYS 577 Ca 0.44 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 60.15 3hmn h LYS 577 Cb 0.23 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 3hmn h LYS 577 CO -0.19 0.85 0.00 1.28 -3.45 0.00 0.00 179.45 177.93 3hmn n LEU 578 N -4.61 0.45 -0.21 5.20 4.77 0.66 -3.83 117.00 119.42 3hmn n LEU 578 Ca -0.10 0.57 -0.03 0.00 -0.03 0.00 0.00 56.01 56.42 3hmn n LEU 578 Cb 0.44 -0.47 0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3hmn n LEU 578 CO 0.36 -0.28 0.66 1.56 -1.33 0.00 0.00 177.39 178.36 3hmn h GLN 579 N 0.00 -0.11 0.00 3.23 4.20 -1.62 -1.94 115.11 118.87 3hmn h GLN 579 Ca 0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3hmn h GLN 579 Cb 0.47 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.28 3hmn h GLN 579 CO 0.00 -0.07 0.00 0.00 -0.67 0.00 0.00 178.83 178.09 3hmn n GLN 580 N -5.44 0.63 -0.08 1.46 0.00 -1.25 -3.09 117.38 109.61 3hmn n GLN 580 Ca 0.06 0.01 -0.13 0.00 0.00 0.00 0.00 57.00 56.94 3hmn n GLN 580 Cb 0.36 -1.50 -0.15 0.00 0.00 0.00 0.00 30.24 28.95 3hmn n GLN 580 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3hmn n HIS 581 N -1.04 0.36 -3.81 2.61 8.25 -0.73 -4.98 115.22 115.89 3hmn n HIS 581 Ca 0.15 0.11 -0.12 0.00 -0.26 0.00 0.00 57.72 57.60 3hmn n HIS 581 Cb 0.09 -1.06 -0.12 0.00 1.12 0.00 0.00 29.99 30.01 3hmn n HIS 581 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3hmn s SER 582 N -6.00 -0.17 0.00 0.41 0.15 -1.18 -5.01 113.70 101.90 3hmn s SER 582 Ca -0.15 0.33 0.11 0.00 0.70 0.00 0.00 55.95 56.94 3hmn s SER 582 Cb 0.07 0.33 0.35 0.00 -1.71 0.00 0.00 66.02 65.06 3hmn s SER 582 CO 0.78 -0.06 1.27 -0.90 1.20 0.00 0.00 173.24 175.53 3hmn n ASP 583 N 3.05 1.45 -0.82 5.45 5.75 -1.26 -3.27 116.55 126.90 3hmn n ASP 583 Ca -0.13 -1.93 0.11 0.00 -0.01 0.00 0.00 54.79 52.82 3hmn n ASP 583 Cb 0.59 -0.17 0.29 0.00 -1.03 0.00 0.00 41.12 40.80 3hmn n ASP 583 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3hmn n LYS 584 N 0.27 2.07 -4.05 0.11 4.76 -1.26 -4.80 118.16 115.26 3hmn n LYS 584 Ca 0.10 -1.62 -0.36 0.00 -2.87 0.00 0.00 58.31 53.57 3hmn n LYS 584 Cb 0.24 -1.44 -0.08 0.00 -1.84 0.00 0.00 35.03 31.91 3hmn n LYS 584 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3hmn s ILE 585 N -1.65 5.02 0.29 -0.18 -1.09 -1.20 -1.10 121.20 121.27 3hmn s ILE 585 Ca 0.35 0.03 -0.30 0.00 -2.23 0.00 0.00 60.65 58.49 3hmn s ILE 585 Cb 0.19 -3.18 -0.12 0.00 -1.58 0.00 0.00 42.46 37.78 3hmn s ILE 585 CO 0.28 0.59 1.52 0.00 -1.23 0.00 0.00 174.94 176.09 3hmn n ILE 586 N 2.31 1.16 -2.68 2.92 0.13 -1.01 -4.89 119.36 117.30 3hmn n ILE 586 Ca -0.19 -0.29 -0.43 0.00 -1.10 0.00 0.00 62.75 60.75 3hmn n ILE 586 Cb 0.54 -1.81 -0.02 0.00 -0.84 0.00 0.00 39.64 37.51 3hmn n ILE 586 CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 3hmn s ARG 587 N -0.72 4.40 -0.46 9.51 6.06 -1.26 -4.92 118.95 131.56 3hmn s ARG 587 Ca 0.63 1.40 -0.12 0.00 -2.50 0.00 0.00 55.73 55.14 3hmn s ARG 587 Cb -0.54 -3.55 0.09 0.00 0.06 0.00 0.00 34.95 31.00 3hmn s ARG 587 CO 0.51 -0.36 0.35 -1.17 -2.50 0.00 0.00 175.30 172.14 3hmn s LEU 588 N 2.15 5.53 0.13 -0.88 2.96 -1.26 -1.15 118.68 126.16 3hmn s LEU 588 Ca 0.48 -1.52 -0.04 0.00 -0.22 0.00 0.00 54.13 52.83 3hmn s LEU 588 Cb -0.18 -2.09 -0.10 0.00 0.50 0.00 0.00 46.19 44.32 3hmn s LEU 588 CO 0.17 -0.64 1.30 1.88 -1.32 0.00 0.00 176.35 177.74 3hmn h TYR 589 N 8.61 0.60 -1.68 5.38 0.05 -1.42 -3.48 116.97 125.03 3hmn h TYR 589 Ca -0.26 -0.33 0.20 0.00 0.05 0.00 0.00 58.73 58.39 3hmn h TYR 589 Cb 1.09 -0.07 -0.19 0.00 1.01 0.00 0.00 36.73 38.58 3hmn h TYR 589 CO 0.64 1.15 0.71 0.34 -1.05 0.00 0.00 178.16 179.95 3hmn s ASP 590 N -7.08 -0.21 0.08 3.88 2.15 -1.18 -5.03 116.67 109.29 3hmn s ASP 590 Ca -0.06 0.04 -0.11 0.00 0.43 0.00 0.00 52.55 52.85 3hmn s ASP 590 Cb 0.09 0.22 0.01 0.00 -0.30 0.00 0.00 42.92 42.93 3hmn s ASP 590 CO 0.87 -0.34 0.25 -0.72 -0.17 0.00 0.00 175.17 175.05 3hmn s TYR 591 N -2.43 0.04 -0.08 -5.34 -0.85 -1.26 -0.19 117.35 107.24 3hmn s TYR 591 Ca 0.07 -0.37 0.02 0.00 -0.52 0.00 0.00 57.07 56.27 3hmn s TYR 591 Cb -0.01 0.02 0.01 0.00 0.38 0.00 0.00 41.96 42.37 3hmn s TYR 591 CO -0.05 -0.55 -0.14 -2.00 -1.52 0.00 0.00 175.55 171.29 3hmn s GLU 592 N -3.47 1.97 -0.06 -3.49 2.12 0.23 -4.83 118.70 111.16 3hmn s GLU 592 Ca 0.02 -0.49 -0.01 0.00 0.36 0.00 0.00 54.97 54.84 3hmn s GLU 592 Cb 0.03 -1.63 0.03 0.00 0.26 0.00 0.00 34.13 32.81 3hmn s GLU 592 CO -0.09 0.01 0.02 -1.50 -0.54 0.00 0.00 175.26 173.15 3hmn s ILE 593 N 0.76 0.24 0.00 -3.70 2.07 -1.26 -0.18 121.20 119.13 3hmn s ILE 593 Ca -0.12 0.20 0.00 0.00 -1.41 0.00 0.00 60.65 59.31 3hmn s ILE 593 Cb -0.16 -0.42 0.00 0.00 0.13 0.00 0.00 42.46 42.01 3hmn s ILE 593 CO 0.02 0.23 0.00 0.35 -1.91 0.00 0.00 174.94 173.64 3hmn n THR 594 N 5.11 0.00 0.17 4.00 -2.24 -0.49 -5.03 114.28 115.80 3hmn n THR 594 Ca -0.07 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.79 3hmn n THR 594 Cb 0.50 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.83 3hmn n THR 594 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hmn h ASP 595 N 0.00 0.00 0.32 3.42 3.32 -2.00 -3.35 116.42 118.13 3hmn h ASP 595 Ca 0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 3hmn h ASP 595 Cb 0.00 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 3hmn h ASP 595 CO 0.00 0.20 -1.91 0.00 -1.72 0.00 0.00 179.24 175.81 3hmn n GLN 596 N -3.10 0.66 -3.90 3.56 3.00 -1.26 -4.54 117.38 111.81 3hmn n GLN 596 Ca 0.02 0.23 -0.08 0.00 -0.01 0.00 0.00 57.00 57.16 3hmn n GLN 596 Cb 0.62 -1.72 -0.04 0.00 0.00 0.00 0.00 30.24 29.10 3hmn n GLN 596 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.06 178.58 3hmn s TYR 597 N -2.57 0.08 -0.02 1.08 -0.85 -1.26 -1.02 117.35 112.79 3hmn s TYR 597 Ca -0.10 -0.47 0.03 0.00 -0.52 0.00 0.00 57.07 56.02 3hmn s TYR 597 Cb 0.07 0.40 -0.00 0.00 0.38 0.00 0.00 41.96 42.81 3hmn s TYR 597 CO 0.81 -1.06 -0.12 0.42 -1.52 0.00 0.00 175.55 174.08 3hmn s ILE 598 N -3.95 0.98 -0.08 -3.49 1.01 -0.01 -1.40 121.20 114.26 3hmn s ILE 598 Ca 0.16 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.36 3hmn s ILE 598 Cb -0.02 -0.84 -0.01 0.00 0.01 0.00 0.00 42.46 41.60 3hmn s ILE 598 CO 0.06 0.29 -0.23 -0.31 0.00 0.00 0.00 174.94 174.74 3hmn s TYR 599 N -0.07 2.52 -0.17 3.97 2.02 0.75 -1.31 117.35 125.06 3hmn s TYR 599 Ca 0.01 -0.80 0.01 0.00 -0.37 0.00 0.00 57.07 55.91 3hmn s TYR 599 Cb -0.07 -1.66 0.03 0.00 -0.40 0.00 0.00 41.96 39.86 3hmn s TYR 599 CO 0.00 -0.27 -0.13 -1.64 -1.57 0.00 0.00 175.55 171.95 3hmn s MET 600 N 0.02 2.22 -0.22 -0.62 -1.94 -0.20 -0.60 119.30 117.95 3hmn s MET 600 Ca -0.09 -0.70 -0.21 0.00 -1.71 0.00 0.00 55.69 52.98 3hmn s MET 600 Cb -0.15 -2.27 -0.02 0.00 2.01 0.00 0.00 34.83 34.40 3hmn s MET 600 CO 0.05 -0.32 0.67 0.08 -0.01 0.00 0.00 175.02 175.50 3hmn s VAL 601 N 1.43 4.97 0.13 -6.03 1.01 0.73 -1.72 120.40 120.92 3hmn s VAL 601 Ca 0.02 1.25 0.04 0.00 0.00 0.00 0.00 61.98 63.29 3hmn s VAL 601 Cb -0.14 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 3hmn s VAL 601 CO -0.10 0.05 -0.09 -0.04 0.00 0.00 0.00 175.10 174.92 3hmn s MET 602 N 2.28 0.98 0.30 2.72 -1.94 0.52 -0.99 119.30 123.16 3hmn s MET 602 Ca 0.29 -1.38 -0.29 0.00 -1.71 0.00 0.00 55.69 52.60 3hmn s MET 602 Cb -0.16 -0.52 -0.13 0.00 2.01 0.00 0.00 34.83 36.04 3hmn s MET 602 CO 0.09 0.06 1.36 -1.91 -0.01 0.00 0.00 175.02 174.61 3hmn n GLU 603 N -0.05 2.15 -3.62 2.03 2.13 -0.30 -0.49 120.64 122.48 3hmn n GLU 603 Ca -0.11 0.76 -0.37 0.00 0.66 0.00 0.00 57.16 58.09 3hmn n GLU 603 Cb 0.60 -2.39 -0.10 0.00 0.27 0.00 0.00 31.44 29.82 3hmn n GLU 603 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hmn s GLY 605 N 1.50 1.30 -0.02 0.00 0.00 -1.26 -4.95 107.32 103.89 3hmn s GLY 605 Ca 0.07 -1.16 -0.20 0.00 0.00 0.00 0.00 44.72 43.43 3hmn s GLY 605 CO 0.09 -1.14 0.89 3.43 0.00 0.00 0.00 173.10 176.37 3hmn h ASN 606 N 0.99 -0.40 -4.76 1.64 2.35 -0.93 -3.49 115.58 110.98 3hmn h ASN 606 Ca -0.50 -0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.07 3hmn h ASN 606 Cb 1.23 0.10 -0.20 0.00 0.05 0.00 0.00 38.32 39.51 3hmn h ASN 606 CO 0.60 0.05 0.21 -0.51 -1.65 0.00 0.00 177.43 176.12 3hmn s ILE 607 N -3.81 0.00 0.53 2.81 2.07 -1.24 -5.01 121.20 116.55 3hmn s ILE 607 Ca -0.11 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 58.95 3hmn s ILE 607 Cb 0.01 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.53 3hmn s ILE 607 CO 0.40 0.00 1.02 1.51 -1.91 0.00 0.00 174.94 175.96 3hmn s ASP 608 N -0.91 6.30 0.34 4.50 -4.77 -1.26 -0.41 116.67 120.46 3hmn s ASP 608 Ca -0.08 1.75 0.03 0.00 -3.30 0.00 0.00 52.55 50.95 3hmn s ASP 608 Cb -0.01 -2.53 0.64 0.00 -1.09 0.00 0.00 42.92 39.93 3hmn s ASP 608 CO 0.08 -0.81 1.96 0.25 0.70 0.00 0.00 175.17 177.35 3hmn h LEU 609 N 1.01 0.76 -0.25 2.11 5.85 -1.13 -2.46 115.31 121.20 3hmn h LEU 609 Ca -0.48 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 3hmn h LEU 609 Cb 1.20 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 3hmn h LEU 609 CO 0.59 0.51 0.05 -1.13 -0.34 0.00 0.00 178.44 178.13 3hmn h ASN 610 N 0.88 0.38 -0.49 1.25 -1.24 -1.82 -0.61 115.58 113.93 3hmn h ASN 610 Ca 0.31 -0.24 -0.02 0.00 0.71 0.00 0.00 56.30 57.05 3hmn h ASN 610 Cb 0.11 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.04 3hmn h ASN 610 CO -0.09 0.53 0.24 0.28 -1.29 0.00 0.00 177.43 177.10 3hmn h SER 611 N 0.22 0.68 -0.12 1.15 0.02 -1.85 -1.41 113.55 112.23 3hmn h SER 611 Ca 0.08 -0.07 -0.20 0.00 -0.84 0.00 0.00 61.79 60.76 3hmn h SER 611 Cb 0.30 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3hmn h SER 611 CO 0.00 0.59 -0.68 -0.25 -1.14 0.00 0.00 176.83 175.35 3hmn h TRP 612 N 0.75 0.98 -0.31 3.45 7.01 -1.19 -3.19 115.95 123.45 3hmn h TRP 612 Ca 0.19 -0.40 -0.06 0.00 2.11 0.00 0.00 58.89 60.72 3hmn h TRP 612 Cb 0.10 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 26.99 3hmn h TRP 612 CO 0.01 1.21 -0.06 -0.07 -2.79 0.00 0.00 178.44 176.75 3hmn h LEU 613 N 0.54 0.59 -1.48 0.65 3.38 -0.91 -3.21 115.31 114.86 3hmn h LEU 613 Ca -0.02 -0.35 0.17 0.00 0.09 0.00 0.00 57.88 57.76 3hmn h LEU 613 Cb 1.29 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.82 3hmn h LEU 613 CO 0.14 0.80 0.56 0.11 0.09 0.00 0.00 178.44 180.14 3hmn h LYS 614 N 0.37 0.46 -2.47 1.13 1.57 -1.29 -2.75 116.57 113.60 3hmn h LYS 614 Ca 0.08 -0.03 -0.73 0.00 -1.87 0.00 0.00 60.65 58.10 3hmn h LYS 614 Cb 0.54 -0.10 -0.33 0.00 0.08 0.00 0.00 32.23 32.41 3hmn h LYS 614 CO 0.03 0.31 0.33 0.36 -0.57 0.00 0.00 179.45 179.91 3hmn n LYS 615 N -4.51 4.15 -3.44 3.15 2.85 -1.21 -4.92 118.16 114.23 3hmn n LYS 615 Ca 0.17 -4.67 0.01 0.00 -1.05 0.00 0.00 58.31 52.77 3hmn n LYS 615 Cb 0.58 -2.40 -0.05 0.00 -0.65 0.00 0.00 35.03 32.51 3hmn n LYS 615 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3hmn s LYS 616 N -3.29 0.24 -0.00 -1.58 1.02 -1.04 -4.96 119.74 110.13 3hmn s LYS 616 Ca 0.38 0.54 -0.19 0.00 0.02 0.00 0.00 55.97 56.72 3hmn s LYS 616 Cb 0.15 0.25 -0.30 0.00 -0.52 0.00 0.00 37.83 37.41 3hmn s LYS 616 CO -0.02 -0.07 0.99 -0.22 -0.92 0.00 0.00 175.35 175.11 3hmn h LYS 617 N 6.89 0.43 -5.05 1.68 1.63 -1.91 -3.48 116.57 116.74 3hmn h LYS 617 Ca -0.19 -0.63 -0.52 0.00 -0.85 0.00 0.00 60.65 58.46 3hmn h LYS 617 Cb 1.14 0.22 -0.13 0.00 -0.60 0.00 0.00 32.23 32.85 3hmn h LYS 617 CO 0.12 1.28 -0.54 -1.54 -3.45 0.00 0.00 179.45 175.31 3hmn s SER 618 N -7.12 2.51 -0.01 4.20 1.04 -1.26 -4.92 113.70 108.13 3hmn s SER 618 Ca -0.12 -1.59 -0.02 0.00 0.48 0.00 0.00 55.95 54.70 3hmn s SER 618 Cb 0.03 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.51 3hmn s SER 618 CO 0.87 -0.85 0.04 -0.51 0.98 0.00 0.00 173.24 173.77 3hmn s ILE 619 N -3.29 0.02 -0.04 -1.02 2.07 -1.26 -5.11 121.20 112.56 3hmn s ILE 619 Ca 0.28 -0.16 -0.30 0.00 -1.41 0.00 0.00 60.65 59.06 3hmn s ILE 619 Cb 0.04 -0.12 -0.08 0.00 0.13 0.00 0.00 42.46 42.43 3hmn s ILE 619 CO 0.15 -0.09 2.03 -0.67 -1.91 0.00 0.00 174.94 174.46 3hmn n ASP 620 N 2.78 3.85 -0.33 4.50 2.03 -1.26 -4.86 116.55 123.25 3hmn n ASP 620 Ca -0.14 0.73 0.21 0.00 0.52 0.00 0.00 54.79 56.11 3hmn n ASP 620 Cb 0.59 -1.51 0.47 0.00 -0.72 0.00 0.00 41.12 39.95 3hmn n ASP 620 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3hmn h PRO 621 N 11.57 0.43 -0.50 -0.67 0.11 -1.99 0.24 132.00 141.20 3hmn h PRO 621 Ca -0.47 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 3hmn h PRO 621 Cb 1.25 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3hmn h PRO 621 CO 0.95 0.29 0.06 2.35 -0.21 0.00 0.00 178.00 181.44 3hmn h TRP 622 N 0.45 0.90 -0.54 0.65 7.01 -2.00 -2.69 115.95 119.72 3hmn h TRP 622 Ca 0.61 -0.13 -0.09 0.00 2.11 0.00 0.00 58.89 61.39 3hmn h TRP 622 Cb 1.44 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 28.23 3hmn h TRP 622 CO -0.00 0.82 -0.01 1.49 -2.79 0.00 0.00 178.44 177.95 3hmn h GLU 623 N 0.71 0.97 -0.29 2.65 4.81 -0.98 -1.68 114.58 120.76 3hmn h GLU 623 Ca 0.15 -0.31 0.05 0.00 -0.13 0.00 0.00 59.36 59.12 3hmn h GLU 623 Cb 0.42 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 3hmn h GLU 623 CO 0.01 0.98 -0.03 -0.09 -0.73 0.00 0.00 179.01 179.15 3hmn h ARG 624 N 0.84 0.05 -0.61 1.92 2.43 -1.07 0.23 114.38 118.17 3hmn h ARG 624 Ca 0.15 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3hmn h ARG 624 Cb 0.55 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 3hmn h ARG 624 CO 0.03 0.03 0.40 -0.22 -1.51 0.00 0.00 179.97 178.70 3hmn h LYS 625 N 0.05 0.78 -0.46 0.20 3.64 -1.33 -0.89 116.57 118.55 3hmn h LYS 625 Ca 0.14 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 3hmn h LYS 625 Cb 0.20 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3hmn h LYS 625 CO -0.27 0.52 0.16 1.03 -2.27 0.00 0.00 179.45 178.62 3hmn h SER 626 N 0.80 0.65 -0.71 4.20 0.87 -0.87 -1.80 113.55 116.69 3hmn h SER 626 Ca 0.23 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 3hmn h SER 626 Cb -0.07 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.69 3hmn h SER 626 CO -0.06 0.67 0.33 1.88 -0.53 0.00 0.00 176.83 179.12 3hmn h TYR 627 N 0.60 1.04 -1.01 2.24 0.05 -0.78 -2.56 116.97 116.55 3hmn h TYR 627 Ca 0.15 -0.06 0.03 0.00 0.05 0.00 0.00 58.73 58.90 3hmn h TYR 627 Cb 0.24 -0.32 -0.06 0.00 1.01 0.00 0.00 36.73 37.60 3hmn h TYR 627 CO 0.01 0.78 0.66 2.35 -1.05 0.00 0.00 178.16 180.91 3hmn h TRP 628 N 1.00 1.24 -0.02 4.88 2.91 -0.88 -1.17 115.95 123.91 3hmn h TRP 628 Ca 0.24 0.03 0.01 0.00 1.13 0.00 0.00 58.89 60.30 3hmn h TRP 628 Cb 0.14 -0.42 -0.01 0.00 -0.51 0.00 0.00 29.16 28.36 3hmn h TRP 628 CO 0.01 0.73 -0.03 0.87 -1.03 0.00 0.00 178.44 178.99 3hmn h LYS 629 N 1.29 -0.04 -0.47 2.65 1.57 -1.04 -2.04 116.57 118.49 3hmn h LYS 629 Ca 0.39 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.26 3hmn h LYS 629 Cb -0.03 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.22 3hmn h LYS 629 CO -0.12 -0.03 0.08 -0.91 -0.57 0.00 0.00 179.45 177.91 3hmn h ASN 630 N -0.04 -0.01 -0.39 0.86 -0.26 -1.04 -0.97 115.58 113.72 3hmn h ASN 630 Ca 0.02 0.08 -0.00 0.00 -0.56 0.00 0.00 56.30 55.85 3hmn h ASN 630 Cb 0.07 0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.43 3hmn h ASN 630 CO -0.05 0.02 0.24 0.24 -1.06 0.00 0.00 177.43 176.82 3hmn h MET 631 N 0.22 0.53 -0.48 0.81 2.86 -1.04 -0.94 114.93 116.89 3hmn h MET 631 Ca 0.23 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 3hmn h MET 631 Cb 0.31 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 3hmn h MET 631 CO -0.31 0.39 0.28 -0.07 1.06 0.00 0.00 176.91 178.25 3hmn h LEU 632 N 0.52 0.59 -0.60 1.22 3.38 -1.10 -0.72 115.31 118.60 3hmn h LEU 632 Ca 0.14 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3hmn h LEU 632 Cb -0.01 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3hmn h LEU 632 CO -0.03 0.50 0.38 -0.08 0.09 0.00 0.00 178.44 179.30 3hmn h GLU 633 N 0.64 0.73 -0.06 1.13 4.81 -0.83 0.31 114.58 121.31 3hmn h GLU 633 Ca 0.17 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3hmn h GLU 633 Cb 0.03 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.24 3hmn h GLU 633 CO -0.03 0.48 -0.00 0.00 -0.73 0.00 0.00 179.01 178.73 3hmn h ALA 634 N 1.25 0.08 -0.39 2.92 0.00 -0.97 -1.92 119.26 120.23 3hmn h ALA 634 Ca 0.23 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 3hmn h ALA 634 Cb -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3hmn h ALA 634 CO -0.08 -0.24 -0.36 0.28 0.00 0.00 0.00 179.25 178.85 3hmn h VAL 635 N -0.20 1.27 -0.58 0.00 2.07 -1.01 -2.67 116.25 115.14 3hmn h VAL 635 Ca 0.02 -1.53 0.11 0.00 0.82 0.00 0.00 66.70 66.12 3hmn h VAL 635 Cb 0.35 1.36 -0.09 0.00 -1.52 0.00 0.00 31.29 31.40 3hmn h VAL 635 CO 0.00 0.51 0.09 -0.74 0.02 0.00 0.00 177.57 177.45 3hmn h HIS 636 N 0.75 0.13 -0.45 1.57 6.17 -0.42 -2.06 115.15 120.84 3hmn h HIS 636 Ca 0.07 0.04 0.01 0.00 0.71 0.00 0.00 60.37 61.19 3hmn h HIS 636 Cb 0.95 0.03 -0.03 0.00 2.52 0.00 0.00 27.41 30.88 3hmn h HIS 636 CO 0.06 -0.06 0.29 1.15 0.71 0.00 0.00 177.93 180.08 3hmn h THR 637 N 0.21 1.09 -0.14 6.26 2.02 -1.01 -1.39 112.91 119.95 3hmn h THR 637 Ca 0.30 -0.20 -0.13 0.00 0.77 0.00 0.00 66.41 67.15 3hmn h THR 637 Cb 0.45 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 3hmn h THR 637 CO -0.42 0.11 -0.48 0.16 0.37 0.00 0.00 175.52 175.26 3hmn h ILE 638 N 0.58 1.33 -0.89 3.11 3.07 -1.29 -2.61 117.51 120.81 3hmn h ILE 638 Ca 0.17 -1.70 -0.00 0.00 1.55 0.00 0.00 64.86 64.88 3hmn h ILE 638 Cb -0.03 1.76 -0.04 0.00 -0.27 0.00 0.00 36.82 38.23 3hmn h ILE 638 CO -0.06 0.51 0.55 0.45 -1.05 0.00 0.00 178.15 178.56 3hmn h HIS 639 N 0.29 1.15 0.00 0.16 3.86 -1.01 -0.50 115.15 119.10 3hmn h HIS 639 Ca 0.02 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3hmn h HIS 639 Cb 0.96 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 29.04 3hmn h HIS 639 CO 0.03 0.75 0.00 1.96 0.86 0.00 0.00 177.93 181.53 3hmn h GLN 640 N 1.21 0.00 -0.25 2.45 4.20 -0.86 -0.94 115.11 120.93 3hmn h GLN 640 Ca 0.32 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.97 3hmn h GLN 640 Cb -0.08 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.66 3hmn h GLN 640 CO -0.06 0.00 -0.03 0.72 -0.67 0.00 0.00 178.83 178.78 3hmn n HIS 641 N -2.56 0.84 -0.85 2.96 8.25 -0.91 -4.98 115.22 117.98 3hmn n HIS 641 Ca -0.01 -1.15 0.00 0.00 -0.26 0.00 0.00 57.72 56.30 3hmn n HIS 641 Cb 0.10 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 30.86 3hmn n HIS 641 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hmn n GLY 642 N -0.86 0.75 3.63 -1.41 0.00 -0.36 -5.03 105.19 101.91 3hmn n GLY 642 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 3hmn n GLY 642 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hmn s ILE 643 N -2.83 5.17 -0.22 -0.61 1.01 -0.24 -4.97 121.20 118.50 3hmn s ILE 643 Ca 0.00 0.66 -0.08 0.00 0.00 0.00 0.00 60.65 61.23 3hmn s ILE 643 Cb 0.00 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 3hmn s ILE 643 CO 0.00 0.18 0.09 -0.69 0.00 0.00 0.00 174.94 174.52 3hmn s VAL 644 N 1.85 4.71 -0.01 2.92 1.01 -1.26 -3.26 120.40 126.36 3hmn s VAL 644 Ca 0.17 -0.05 -0.25 0.00 0.00 0.00 0.00 61.98 61.85 3hmn s VAL 644 Cb -0.15 -3.17 -0.19 0.00 0.00 0.00 0.00 36.38 32.86 3hmn s VAL 644 CO 0.09 0.38 1.31 -0.74 0.00 0.00 0.00 175.10 176.13 3hmn h HIS 645 N 7.57 -0.04 0.00 5.22 2.76 -1.95 -3.47 115.15 125.24 3hmn h HIS 645 Ca -0.37 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.80 3hmn h HIS 645 Cb 1.17 0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.15 3hmn h HIS 645 CO 0.64 0.37 0.00 -1.13 -1.30 0.00 0.00 177.93 176.51 3hmn n SER 646 N -4.91 -0.91 -2.75 3.26 3.41 -1.26 -4.63 113.62 105.83 3hmn n SER 646 Ca -0.08 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.51 3hmn n SER 646 Cb 0.23 -1.12 0.09 0.00 -0.26 0.00 0.00 64.21 63.15 3hmn n SER 646 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3hmn n ASP 647 N -0.08 -0.07 -4.74 4.04 2.03 -1.26 -5.01 116.55 111.45 3hmn n ASP 647 Ca 0.00 -2.15 -0.41 0.00 0.52 0.00 0.00 54.79 52.75 3hmn n ASP 647 Cb 0.04 0.15 -0.04 0.00 -0.72 0.00 0.00 41.12 40.56 3hmn n ASP 647 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hmn s LEU 648 N -3.93 4.49 0.13 -2.67 1.43 -1.26 -5.00 118.68 111.87 3hmn s LEU 648 Ca 0.18 2.17 -0.20 0.00 -1.03 0.00 0.00 54.13 55.25 3hmn s LEU 648 Cb 0.39 -3.61 0.05 0.00 0.03 0.00 0.00 46.19 43.06 3hmn s LEU 648 CO -0.08 -0.25 0.51 -1.59 0.23 0.00 0.00 176.35 175.16 3hmn s LYS 649 N -0.55 1.16 0.50 1.70 -2.85 -1.26 -4.85 119.74 113.59 3hmn s LYS 649 Ca 0.49 -0.54 0.27 0.00 -1.00 0.00 0.00 55.97 55.20 3hmn s LYS 649 Cb -0.31 0.52 1.35 0.00 -2.06 0.00 0.00 37.83 37.34 3hmn s LYS 649 CO 0.37 -0.48 1.87 -1.35 0.10 0.00 0.00 175.35 175.86 3hmn h PRO 650 N 2.25 0.13 -0.01 1.78 0.11 -1.95 0.89 132.00 135.19 3hmn h PRO 650 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3hmn h PRO 650 Cb 1.27 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hmn h PRO 650 CO 0.42 0.09 0.02 0.00 -0.21 0.00 0.00 178.00 178.32 3hmn h ALA 651 N 1.57 1.48 0.00 -0.75 0.00 -1.95 -1.86 119.26 117.75 3hmn h ALA 651 Ca 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3hmn h ALA 651 Cb 1.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3hmn h ALA 651 CO -0.07 -0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.24 3hmn n ASN 652 N -3.74 0.00 -4.35 0.00 5.03 0.31 -4.75 115.26 107.75 3hmn n ASN 652 Ca -0.03 -0.27 -0.29 0.00 0.87 0.00 0.00 54.58 54.87 3hmn n ASN 652 Cb 0.10 -0.15 -0.14 0.00 -1.02 0.00 0.00 39.78 38.57 3hmn n ASN 652 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 3hmn s PHE 653 N -2.30 2.24 -0.04 3.10 0.08 -0.70 -1.67 117.98 118.69 3hmn s PHE 653 Ca 0.23 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 56.91 3hmn s PHE 653 Cb 0.13 -1.28 0.00 0.00 -0.57 0.00 0.00 43.02 41.30 3hmn s PHE 653 CO 0.25 0.21 -0.12 -1.17 -0.10 0.00 0.00 175.22 174.30 3hmn s LEU 654 N -1.61 1.77 -0.16 -0.37 2.96 -0.53 -0.99 118.68 119.76 3hmn s LEU 654 Ca 0.12 -0.25 -0.26 0.00 -0.22 0.00 0.00 54.13 53.52 3hmn s LEU 654 Cb -0.10 -0.71 -0.01 0.00 0.50 0.00 0.00 46.19 45.87 3hmn s LEU 654 CO 0.04 0.08 0.85 -0.63 -1.32 0.00 0.00 176.35 175.37 3hmn s ILE 655 N 0.27 4.87 -0.30 6.68 1.01 0.45 -0.90 121.20 133.27 3hmn s ILE 655 Ca -0.06 1.68 -0.02 0.00 0.00 0.00 0.00 60.65 62.25 3hmn s ILE 655 Cb -0.11 -4.16 0.10 0.00 0.01 0.00 0.00 42.46 38.30 3hmn s ILE 655 CO 0.01 0.02 0.11 -0.69 0.00 0.00 0.00 174.94 174.40 3hmn s VAL 656 N 2.13 0.55 -1.19 2.92 1.01 0.60 -0.16 120.40 126.26 3hmn s VAL 656 Ca 0.39 -1.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 3hmn s VAL 656 Cb -0.17 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 3hmn s VAL 656 CO 0.13 -0.68 0.91 0.47 0.00 0.00 0.00 175.10 175.93 3hmn n ASP 657 N 4.99 -2.78 -2.93 3.32 9.92 -1.26 -2.55 116.55 125.25 3hmn n ASP 657 Ca -0.04 -0.69 -0.22 0.00 -0.53 0.00 0.00 54.79 53.31 3hmn n ASP 657 Cb 0.42 -4.85 0.03 0.00 -0.64 0.00 0.00 41.12 36.08 3hmn n ASP 657 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hmn n GLY 658 N -1.26 -0.51 3.00 0.44 0.00 -1.26 -5.01 105.19 100.58 3hmn n GLY 658 Ca -0.25 0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 3hmn n GLY 658 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hmn s MET 659 N -5.62 0.65 0.02 1.61 -1.94 -1.06 -4.98 119.30 107.99 3hmn s MET 659 Ca 0.27 -0.27 -0.27 0.00 -1.71 0.00 0.00 55.69 53.71 3hmn s MET 659 Cb -0.12 -0.63 -0.05 0.00 2.01 0.00 0.00 34.83 36.04 3hmn s MET 659 CO 0.33 0.15 0.85 -0.51 -0.01 0.00 0.00 175.02 175.83 3hmn s LEU 660 N -0.11 4.41 -0.06 -0.03 1.43 -1.26 -0.29 118.68 122.78 3hmn s LEU 660 Ca 0.02 1.52 0.04 0.00 -1.03 0.00 0.00 54.13 54.68 3hmn s LEU 660 Cb -0.04 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.82 3hmn s LEU 660 CO -0.00 -0.10 -0.17 -0.54 0.23 0.00 0.00 176.35 175.77 3hmn s LYS 661 N 0.40 1.94 -0.12 1.70 1.02 -0.08 -4.73 119.74 119.88 3hmn s LYS 661 Ca 0.44 -0.61 -0.29 0.00 0.02 0.00 0.00 55.97 55.52 3hmn s LYS 661 Cb -0.21 -1.63 -0.03 0.00 -0.52 0.00 0.00 37.83 35.45 3hmn s LYS 661 CO 0.25 0.19 1.38 -1.17 -0.92 0.00 0.00 175.35 175.08 3hmn s LEU 662 N 0.20 4.23 0.00 3.17 2.96 -0.26 -1.45 118.68 127.53 3hmn s LEU 662 Ca -0.08 1.88 0.22 0.00 -0.22 0.00 0.00 54.13 55.93 3hmn s LEU 662 Cb -0.13 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.94 3hmn s LEU 662 CO 0.03 -0.80 1.01 2.30 -1.32 0.00 0.00 176.35 177.57 3hmn n ILE 663 N 5.35 0.00 -3.67 6.68 -5.35 -0.67 -2.41 119.36 119.29 3hmn n ILE 663 Ca 0.15 -0.01 -0.10 0.00 -0.27 0.00 0.00 62.75 62.52 3hmn n ILE 663 Cb 0.44 0.86 -0.05 0.00 -1.74 0.00 0.00 39.64 39.16 3hmn n ILE 663 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 3hmn s ASP 664 N -2.98 -0.21 0.00 7.28 -4.77 -1.26 -4.95 116.67 109.78 3hmn s ASP 664 Ca 0.09 -0.37 0.11 0.00 -3.30 0.00 0.00 52.55 49.08 3hmn s ASP 664 Cb 0.16 0.48 0.23 0.00 -1.09 0.00 0.00 42.92 42.70 3hmn s ASP 664 CO 0.83 -0.87 1.11 0.49 0.70 0.00 0.00 175.17 177.43 3hmn n PHE 665 N -0.23 0.30 -1.30 2.11 3.72 -1.26 -4.98 117.46 115.82 3hmn n PHE 665 Ca -0.15 -0.32 -0.10 0.00 -0.05 0.00 0.00 57.45 56.83 3hmn n PHE 665 Cb 0.64 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 39.11 3hmn n PHE 665 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hmn n GLY 666 N 0.58 1.17 0.12 1.37 0.00 -1.26 -4.45 105.19 102.71 3hmn n GLY 666 Ca 0.10 -0.50 -0.17 0.00 0.00 0.00 0.00 46.02 45.44 3hmn n GLY 666 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hmn h ILE 667 N 0.00 1.20 -2.64 -0.61 2.04 -1.91 -3.46 117.51 112.11 3hmn h ILE 667 Ca -0.21 -2.81 -0.60 0.00 1.00 0.00 0.00 64.86 62.24 3hmn h ILE 667 Cb 0.70 2.80 0.10 0.00 -0.74 0.00 0.00 36.82 39.68 3hmn h ILE 667 CO 0.31 0.83 0.40 0.00 0.00 0.00 0.00 178.15 179.68 3hmn n ALA 668 N -2.66 0.47 -1.84 1.87 0.00 -1.26 -4.86 120.51 112.23 3hmn n ALA 668 Ca -0.16 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.69 3hmn n ALA 668 Cb 1.05 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3hmn n ALA 668 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hmn n ASN 669 N 1.55 0.00 -4.56 0.00 5.15 -1.26 -4.83 115.26 111.31 3hmn n ASN 669 Ca 0.10 0.00 -0.17 0.00 -0.60 0.00 0.00 54.58 53.91 3hmn n ASN 669 Cb 0.32 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.50 3hmn n ASN 669 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3hmn s GLN 670 N 3.64 1.82 0.00 1.20 1.11 -1.26 -5.16 119.66 121.00 3hmn s GLN 670 Ca 0.00 0.24 0.00 0.00 0.01 0.00 0.00 55.36 55.61 3hmn s GLN 670 Cb 0.00 -4.87 0.00 0.00 -1.01 0.00 0.00 33.01 27.13 3hmn s GLN 670 CO 0.00 -4.23 0.46 -0.12 0.01 0.00 0.00 175.29 171.41 3hmn n MET 671 N 8.80 0.00 -0.02 2.91 0.00 -1.26 -4.97 117.12 122.57 3hmn n MET 671 Ca 0.45 0.27 -0.01 0.00 -0.00 0.00 0.00 57.70 58.42 3hmn n MET 671 Cb 0.44 -1.07 -0.00 0.00 0.00 0.00 0.00 33.22 32.59 3hmn n MET 671 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 3hmn n VAL 684 N -1.32 0.00 0.00 1.12 0.24 -1.26 -5.15 118.33 111.96 3hmn n VAL 684 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3hmn n VAL 684 Cb 0.00 -0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.36 3hmn n VAL 684 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hmn n GLY 685 N 0.11 0.33 3.61 7.63 0.00 -1.26 -5.13 105.19 110.48 3hmn n GLY 685 Ca 0.01 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 3hmn n GLY 685 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hmn s THR 686 N 0.00 0.00 -0.05 2.61 2.01 -1.26 -5.07 115.64 113.88 3hmn s THR 686 Ca 0.00 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.07 3hmn s THR 686 Cb 0.00 -1.00 0.11 0.00 0.01 0.00 0.00 72.50 71.62 3hmn s THR 686 CO 0.00 0.00 1.02 0.52 -0.69 0.00 0.00 174.62 175.47 3hmn n VAL 687 N 1.57 1.21 0.30 3.82 0.31 -1.26 -4.74 118.33 119.54 3hmn n VAL 687 Ca -0.11 -1.35 0.18 0.00 -0.01 0.00 0.00 64.34 63.04 3hmn n VAL 687 Cb 0.57 0.25 0.82 0.00 -0.91 0.00 0.00 33.84 34.57 3hmn n VAL 687 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3hmn h ASN 688 N 0.00 0.00 -0.16 4.52 2.35 -1.97 -2.98 115.58 117.34 3hmn h ASN 688 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3hmn h ASN 688 Cb 0.79 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.16 3hmn h ASN 688 CO 0.00 0.00 0.00 -1.22 -1.65 0.00 0.00 177.43 174.56 3hmn n TYR 689 N -2.96 0.19 -2.55 1.19 4.01 -1.26 -4.77 117.16 111.01 3hmn n TYR 689 Ca -0.00 -0.14 -0.42 0.00 -0.16 0.00 0.00 57.90 57.18 3hmn n TYR 689 Cb 0.22 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.21 3hmn n TYR 689 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 3hmn s MET 690 N -1.24 4.54 0.47 -0.72 1.75 -1.13 -4.12 119.30 118.84 3hmn s MET 690 Ca 0.23 1.64 -0.21 0.00 -1.25 0.00 0.00 55.69 56.10 3hmn s MET 690 Cb 0.15 -3.35 -0.09 0.00 2.84 0.00 0.00 34.83 34.37 3hmn s MET 690 CO 0.21 -0.05 1.02 -1.25 -0.65 0.00 0.00 175.02 174.29 3hmn s PRO 691 N 0.48 3.92 0.32 4.11 0.04 -1.26 -4.98 135.00 137.63 3hmn s PRO 691 Ca 0.53 1.31 0.04 0.00 0.04 0.00 0.00 61.00 62.92 3hmn s PRO 691 Cb -0.27 -2.14 0.63 0.00 0.04 0.00 0.00 34.50 32.77 3hmn s PRO 691 CO 0.31 -0.32 1.89 -1.35 0.04 0.00 0.00 177.00 177.57 3hmn h PRO 692 N 1.69 0.88 0.00 0.56 0.11 -1.88 -2.77 132.00 130.59 3hmn h PRO 692 Ca -0.49 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.53 3hmn h PRO 692 Cb 1.21 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 3hmn h PRO 692 CO 0.60 0.58 -0.14 1.05 -0.21 0.00 0.00 178.00 179.87 3hmn h GLU 693 N 0.90 0.00 -0.03 1.05 9.09 -1.94 0.10 114.58 123.76 3hmn h GLU 693 Ca 0.41 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.69 3hmn h GLU 693 Cb 0.39 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.47 3hmn h GLU 693 CO -0.18 0.14 -0.61 0.00 0.05 0.00 0.00 179.01 178.42 3hmn h ALA 694 N 1.86 0.93 0.08 1.06 0.00 -1.83 -2.61 119.26 118.74 3hmn h ALA 694 Ca -0.00 -0.55 -0.18 0.00 0.00 0.00 0.00 54.91 54.18 3hmn h ALA 694 Cb 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3hmn h ALA 694 CO 0.02 0.75 -0.88 0.82 0.00 0.00 0.00 179.25 179.96 3hmn h ILE 695 N 0.07 1.34 -0.54 0.00 2.04 -1.38 -3.30 117.51 115.74 3hmn h ILE 695 Ca -0.01 -2.40 0.05 0.00 1.00 0.00 0.00 64.86 63.50 3hmn h ILE 695 Cb 1.09 2.95 -0.03 0.00 -0.74 0.00 0.00 36.82 40.09 3hmn h ILE 695 CO 0.09 0.63 0.36 0.11 0.00 0.00 0.00 178.15 179.33 3hmn h LYS 696 N -0.59 0.54 -4.63 2.37 1.57 -1.12 -3.27 116.57 111.44 3hmn h LYS 696 Ca -0.19 -0.03 -0.71 0.00 -1.87 0.00 0.00 60.65 57.85 3hmn h LYS 696 Cb 1.48 -0.12 -0.08 0.00 0.08 0.00 0.00 32.23 33.58 3hmn h LYS 696 CO 0.03 0.36 2.49 -3.47 -0.57 0.00 0.00 179.45 178.29 3hmn n ASP 697 N -4.47 4.54 -2.43 0.86 -0.08 -0.98 -5.09 116.55 108.88 3hmn n ASP 697 Ca 0.07 -2.92 -0.00 0.00 -1.51 0.00 0.00 54.79 50.43 3hmn n ASP 697 Cb 0.19 -1.66 0.06 0.00 2.34 0.00 0.00 41.12 42.06 3hmn n ASP 697 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 3hmn n MET 698 N 6.51 1.22 0.00 -0.67 2.81 -1.24 -4.90 117.12 120.86 3hmn n MET 698 Ca 0.48 -2.49 0.00 0.00 -1.81 0.00 0.00 57.70 53.88 3hmn n MET 698 Cb 0.41 -0.67 0.00 0.00 -0.71 0.00 0.00 33.22 32.25 3hmn n MET 698 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 3hmn n ILE 711 N -0.62 0.00 -3.89 2.02 5.41 -1.26 -5.19 119.36 115.84 3hmn n ILE 711 Ca -0.02 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.64 3hmn n ILE 711 Cb 0.87 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.78 3hmn n ILE 711 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3hmn n SER 712 N 0.00 -0.68 -0.09 4.38 3.41 -1.26 -5.00 113.62 114.37 3hmn n SER 712 Ca 0.00 -2.05 0.26 0.00 -0.26 0.00 0.00 58.87 56.81 3hmn n SER 712 Cb 0.00 1.31 0.72 0.00 -0.26 0.00 0.00 64.21 65.98 3hmn n SER 712 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3hmn h PRO 713 N 0.00 0.00 -0.09 4.33 0.11 -1.99 -0.63 132.00 133.73 3hmn h PRO 713 Ca -0.14 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.93 3hmn h PRO 713 Cb 0.65 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 3hmn h PRO 713 CO 0.20 0.00 -0.09 0.87 -0.21 0.00 0.00 178.00 178.77 3hmn h LYS 714 N 0.00 0.14 -0.84 1.05 1.79 -1.94 -2.65 116.57 114.13 3hmn h LYS 714 Ca 0.35 -0.02 0.09 0.00 -2.18 0.00 0.00 60.65 58.89 3hmn h LYS 714 Cb 1.57 -0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 32.13 3hmn h LYS 714 CO -0.00 0.24 0.48 0.77 -1.08 0.00 0.00 179.45 179.86 3hmn h SER 715 N 0.13 0.70 -0.07 0.86 0.02 -1.50 -0.93 113.55 112.76 3hmn h SER 715 Ca 0.03 0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 3hmn h SER 715 Cb 0.25 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3hmn h SER 715 CO 0.01 0.40 -0.15 0.44 -1.14 0.00 0.00 176.83 176.39 3hmn h ASP 716 N 0.81 0.40 -0.54 3.07 3.32 -1.61 -3.01 116.42 118.86 3hmn h ASP 716 Ca 0.40 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 3hmn h ASP 716 Cb 0.36 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3hmn h ASP 716 CO -0.24 0.58 0.29 0.58 -1.72 0.00 0.00 179.24 178.73 3hmn h VAL 717 N 0.39 1.19 -0.22 -1.35 2.07 -1.14 -0.82 116.25 116.36 3hmn h VAL 717 Ca 0.07 -0.49 0.05 0.00 0.82 0.00 0.00 66.70 67.15 3hmn h VAL 717 Cb 0.49 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3hmn h VAL 717 CO 0.03 0.20 -0.07 -0.25 0.02 0.00 0.00 177.57 177.50 3hmn h TRP 718 N 0.73 -0.16 -0.15 1.57 2.91 -1.33 0.25 115.95 119.76 3hmn h TRP 718 Ca 0.19 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.22 3hmn h TRP 718 Cb 0.07 0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 28.81 3hmn h TRP 718 CO -0.01 -0.12 0.04 0.77 -1.03 0.00 0.00 178.44 178.09 3hmn h SER 719 N -0.02 0.23 -0.73 2.65 0.02 -1.41 0.68 113.55 114.97 3hmn h SER 719 Ca 0.11 -0.22 0.13 0.00 -0.84 0.00 0.00 61.79 60.97 3hmn h SER 719 Cb 0.19 -0.06 -0.09 0.00 0.14 0.00 0.00 62.40 62.58 3hmn h SER 719 CO -0.24 0.39 0.30 -0.07 -1.14 0.00 0.00 176.83 176.07 3hmn h LEU 720 N 0.06 0.30 -0.83 5.07 3.38 -1.03 -0.03 115.31 122.23 3hmn h LEU 720 Ca 0.05 0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.21 3hmn h LEU 720 Cb 0.25 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 3hmn h LEU 720 CO -0.00 0.13 0.47 1.23 0.09 0.00 0.00 178.44 180.37 3hmn h GLY 721 N 0.46 1.29 1.64 0.83 0.00 0.28 -0.40 103.07 107.18 3hmn h GLY 721 Ca 0.39 -0.32 -0.11 0.00 0.00 0.00 0.00 47.33 47.30 3hmn h GLY 721 CO -0.37 0.13 -0.36 0.00 0.00 0.00 0.00 176.54 175.94 3hmn h ILE 723 N 0.35 1.27 -0.01 0.00 2.04 -0.34 -1.79 117.51 119.03 3hmn h ILE 723 Ca 0.04 -1.35 -0.02 0.00 1.00 0.00 0.00 64.86 64.53 3hmn h ILE 723 Cb 0.79 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 3hmn h ILE 723 CO 0.06 0.45 -0.07 0.25 0.00 0.00 0.00 178.15 178.85 3hmn h LEU 724 N 0.73 0.08 -0.89 1.44 5.85 -1.01 -2.42 115.31 119.08 3hmn h LEU 724 Ca 0.10 -0.71 0.24 0.00 0.84 0.00 0.00 57.88 58.35 3hmn h LEU 724 Cb 0.75 -0.02 -0.15 0.00 0.37 0.00 0.00 40.66 41.61 3hmn h LEU 724 CO 0.06 0.78 0.16 0.22 -0.34 0.00 0.00 178.44 179.32 3hmn h TYR 725 N -0.62 0.21 -0.41 1.25 5.03 -1.12 0.26 116.97 121.57 3hmn h TYR 725 Ca -0.01 0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.34 3hmn h TYR 725 Cb 0.78 0.05 -0.02 0.00 1.55 0.00 0.00 36.73 39.09 3hmn h TYR 725 CO 0.17 -0.28 0.17 -0.92 -1.32 0.00 0.00 178.16 175.98 3hmn h TYR 726 N 0.14 0.61 0.00 -3.82 3.20 -1.26 0.29 116.97 116.13 3hmn h TYR 726 Ca 0.55 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 62.33 3hmn h TYR 726 Cb 1.12 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 3hmn h TYR 726 CO -0.34 0.54 -0.21 0.52 -1.64 0.00 0.00 178.16 177.03 3hmn h MET 727 N 0.51 0.00 0.00 1.82 2.86 -0.49 0.27 114.93 119.90 3hmn h MET 727 Ca 0.14 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3hmn h MET 727 Cb 0.18 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 3hmn h MET 727 CO -0.01 0.21 -0.06 1.15 1.06 0.00 0.00 176.91 179.27 3hmn h THR 728 N 0.00 0.14 -0.33 2.22 2.02 -0.18 -3.42 112.91 113.36 3hmn h THR 728 Ca -0.00 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 66.07 3hmn h THR 728 Cb 0.66 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 3hmn h THR 728 CO 0.03 0.05 0.00 -1.22 0.37 0.00 0.00 175.52 174.75 3hmn n TYR 729 N -4.75 0.42 -1.02 3.16 4.01 0.99 -4.97 117.16 115.00 3hmn n TYR 729 Ca -0.02 -0.21 -0.01 0.00 -0.16 0.00 0.00 57.90 57.50 3hmn n TYR 729 Cb 0.07 -0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.09 3hmn n TYR 729 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hmn n GLY 730 N 1.46 0.36 3.55 2.72 0.00 0.94 -4.97 105.19 109.24 3hmn n GLY 730 Ca 0.18 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 3hmn n GLY 730 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hmn s LYS 731 N -0.92 0.94 0.69 1.61 -2.85 -1.23 -5.02 119.74 112.97 3hmn s LYS 731 Ca 0.00 0.37 -0.12 0.00 -1.00 0.00 0.00 55.97 55.22 3hmn s LYS 731 Cb 0.00 0.45 0.01 0.00 -2.06 0.00 0.00 37.83 36.23 3hmn s LYS 731 CO 0.00 -0.27 1.07 0.95 0.10 0.00 0.00 175.35 177.20 3hmn s THR 732 N -0.89 3.85 0.19 3.79 -4.23 -1.26 -3.88 115.64 113.22 3hmn s THR 732 Ca -0.08 0.65 -0.15 0.00 -1.18 0.00 0.00 61.69 60.94 3hmn s THR 732 Cb -0.01 -3.31 0.16 0.00 1.34 0.00 0.00 72.50 70.68 3hmn s THR 732 CO 0.07 -0.74 1.65 -0.65 -0.54 0.00 0.00 174.62 174.41 3hmn h PRO 733 N -0.58 0.02 -0.67 3.99 0.11 -1.87 -2.36 132.00 130.64 3hmn h PRO 733 Ca -0.44 -0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.33 3hmn h PRO 733 Cb 1.22 -0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.12 3hmn h PRO 733 CO 0.56 0.01 0.28 1.19 -0.21 0.00 0.00 178.00 179.84 3hmn n PHE 734 N -5.34 2.09 0.20 0.65 3.72 -1.26 -4.63 117.46 112.89 3hmn n PHE 734 Ca 0.05 -1.69 0.04 0.00 -0.05 0.00 0.00 57.45 55.80 3hmn n PHE 734 Cb 0.27 -0.71 0.43 0.00 -0.94 0.00 0.00 39.48 38.53 3hmn n PHE 734 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3hmn h GLN 735 N 1.11 0.02 0.00 -1.08 4.15 -1.79 -2.93 115.11 114.57 3hmn h GLN 735 Ca 0.42 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.81 3hmn h GLN 735 Cb 2.26 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.95 3hmn h GLN 735 CO 0.74 0.28 -0.12 -0.56 -1.93 0.00 0.00 178.83 177.25 3hmn h GLN 736 N 0.02 0.00 -5.71 1.69 -0.00 -1.82 -3.39 115.11 105.89 3hmn h GLN 736 Ca 0.00 0.00 -0.62 0.00 -0.00 0.00 0.00 58.65 58.03 3hmn h GLN 736 Cb 0.47 0.00 -0.13 0.00 -0.00 0.00 0.00 27.48 27.83 3hmn h GLN 736 CO 0.03 0.12 1.07 0.42 -0.00 0.00 0.00 178.83 180.47 3hmn s ILE 737 N -3.82 4.20 0.37 1.86 1.01 -1.11 -4.87 121.20 118.85 3hmn s ILE 737 Ca -0.00 -0.76 0.13 0.00 0.00 0.00 0.00 60.65 60.02 3hmn s ILE 737 Cb 0.11 -4.89 0.10 0.00 0.01 0.00 0.00 42.46 37.78 3hmn s ILE 737 CO 0.58 -1.72 1.84 0.16 0.00 0.00 0.00 174.94 175.80 3hmn h ILE 738 N 6.25 1.26 -3.12 2.92 -0.00 -1.87 -3.42 117.51 119.52 3hmn h ILE 738 Ca 0.03 -1.24 -0.57 0.00 -0.00 0.00 0.00 64.86 63.08 3hmn h ILE 738 Cb 1.03 1.67 -0.05 0.00 -0.00 0.00 0.00 36.82 39.47 3hmn h ILE 738 CO 1.27 0.35 0.95 0.21 -0.00 0.00 0.00 178.15 180.93 3hmn s ASN 739 N -6.94 6.74 0.28 2.16 3.84 -1.26 -4.92 114.94 114.85 3hmn s ASN 739 Ca -0.03 1.26 0.01 0.00 0.21 0.00 0.00 52.86 54.32 3hmn s ASN 739 Cb 0.14 -2.54 0.42 0.00 -0.55 0.00 0.00 41.25 38.73 3hmn s ASN 739 CO 0.72 -1.01 1.76 1.56 -2.79 0.00 0.00 177.10 177.34 3hmn h GLN 740 N 9.02 0.59 -0.64 0.43 1.08 -1.99 0.11 115.11 123.70 3hmn h GLN 740 Ca -0.26 -0.18 -0.07 0.00 -1.45 0.00 0.00 58.65 56.69 3hmn h GLN 740 Cb 1.09 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 28.44 3hmn h GLN 740 CO 1.02 0.70 0.11 0.82 -0.95 0.00 0.00 178.83 180.54 3hmn h ILE 741 N 0.54 1.26 -0.13 2.54 2.04 -1.96 -2.05 117.51 119.75 3hmn h ILE 741 Ca 0.10 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 3hmn h ILE 741 Cb 0.54 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3hmn h ILE 741 CO 0.03 0.38 0.03 0.28 0.00 0.00 0.00 178.15 178.87 3hmn h SER 742 N 0.97 0.20 -0.48 1.72 0.02 -1.77 -2.64 113.55 111.57 3hmn h SER 742 Ca 0.20 -0.22 0.10 0.00 -0.84 0.00 0.00 61.79 61.02 3hmn h SER 742 Cb 0.42 -0.05 -0.10 0.00 0.14 0.00 0.00 62.40 62.81 3hmn h SER 742 CO 0.01 0.37 -0.23 0.50 -1.14 0.00 0.00 176.83 176.34 3hmn h LYS 743 N 0.02 -0.12 -0.48 3.45 3.64 -0.56 0.41 116.57 122.93 3hmn h LYS 743 Ca 0.04 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3hmn h LYS 743 Cb 0.25 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 3hmn h LYS 743 CO -0.00 -0.08 0.21 -0.07 -2.27 0.00 0.00 179.45 177.24 3hmn h LEU 744 N -0.13 0.61 -0.44 5.20 3.38 -1.36 -0.63 115.31 121.94 3hmn h LEU 744 Ca 0.22 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 3hmn h LEU 744 Cb 0.48 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3hmn h LEU 744 CO -0.56 0.53 -0.02 0.45 0.09 0.00 0.00 178.44 178.93 3hmn h HIS 745 N 0.67 0.87 -0.85 1.13 3.86 -0.54 -2.65 115.15 117.65 3hmn h HIS 745 Ca 0.17 -0.16 0.08 0.00 -1.16 0.00 0.00 60.37 59.30 3hmn h HIS 745 Cb 0.10 -0.22 -0.07 0.00 1.06 0.00 0.00 27.41 28.28 3hmn h HIS 745 CO 0.01 0.86 0.51 0.00 0.86 0.00 0.00 177.93 180.17 3hmn h ALA 746 N 0.90 1.20 -0.45 2.45 0.00 0.67 -1.49 119.26 122.54 3hmn h ALA 746 Ca 0.12 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3hmn h ALA 746 Cb 0.53 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3hmn h ALA 746 CO 0.03 0.18 -0.06 0.82 0.00 0.00 0.00 179.25 180.22 3hmn h ILE 747 N 0.88 1.25 -0.03 0.00 2.04 -0.99 -3.11 117.51 117.55 3hmn h ILE 747 Ca 0.39 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 65.18 3hmn h ILE 747 Cb 0.29 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3hmn h ILE 747 CO -0.22 0.37 0.00 2.30 0.00 0.00 0.00 178.15 180.61 3hmn n ILE 748 N -4.19 0.00 -3.36 -0.67 -5.35 -0.99 -4.67 119.36 100.14 3hmn n ILE 748 Ca 0.02 -0.39 -0.43 0.00 -0.27 0.00 0.00 62.75 61.68 3hmn n ILE 748 Cb 0.33 1.06 -0.09 0.00 -1.74 0.00 0.00 39.64 39.20 3hmn n ILE 748 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3hmn s ASP 749 N -2.00 6.17 0.29 7.28 2.15 -0.60 -4.96 116.67 125.01 3hmn s ASP 749 Ca 0.32 -0.80 0.04 0.00 0.43 0.00 0.00 52.55 52.55 3hmn s ASP 749 Cb 0.20 -2.20 0.67 0.00 -0.30 0.00 0.00 42.92 41.30 3hmn s ASP 749 CO 0.32 -0.55 1.79 -0.65 -0.17 0.00 0.00 175.17 175.91 3hmn h PRO 750 N 8.71 0.81 0.00 4.34 0.11 -1.89 -0.87 132.00 143.20 3hmn h PRO 750 Ca -0.27 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3hmn h PRO 750 Cb 1.11 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3hmn h PRO 750 CO 0.78 0.53 0.00 0.09 -0.21 0.00 0.00 178.00 179.20 3hmn n ASN 751 N -4.73 0.00 -4.43 -2.05 3.02 -1.26 -4.21 115.26 101.60 3hmn n ASN 751 Ca 0.22 0.40 -0.44 0.00 -0.03 0.00 0.00 54.58 54.73 3hmn n ASN 751 Cb 0.50 -0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 39.19 3hmn n ASN 751 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3hmn s HIS 752 N -2.91 3.11 0.02 3.10 2.46 -0.33 -5.03 115.29 115.71 3hmn s HIS 752 Ca 0.10 -1.27 -0.26 0.00 0.47 0.00 0.00 55.06 54.10 3hmn s HIS 752 Cb 0.11 -4.19 -0.05 0.00 -0.13 0.00 0.00 32.58 28.32 3hmn s HIS 752 CO 0.30 -1.43 0.80 -1.21 -2.47 0.00 0.00 174.74 170.73 3hmn s GLU 753 N 2.61 4.51 0.14 2.88 2.02 -1.26 -4.90 118.70 124.70 3hmn s GLU 753 Ca 0.26 1.11 -0.30 0.00 0.02 0.00 0.00 54.97 56.06 3hmn s GLU 753 Cb -0.10 -3.39 -0.07 0.00 0.10 0.00 0.00 34.13 30.67 3hmn s GLU 753 CO -0.04 0.19 1.02 0.42 0.02 0.00 0.00 175.26 176.87 3hmn s ILE 754 N 0.26 4.22 0.11 -1.63 1.01 -1.26 -5.02 121.20 118.89 3hmn s ILE 754 Ca 0.41 1.88 -0.25 0.00 0.00 0.00 0.00 60.65 62.69 3hmn s ILE 754 Cb -0.20 -4.20 -0.07 0.00 0.01 0.00 0.00 42.46 38.00 3hmn s ILE 754 CO 0.23 0.31 0.75 -0.70 0.00 0.00 0.00 174.94 175.53 3hmn s GLU 755 N -0.17 4.51 -0.56 2.79 2.12 -1.26 -5.02 118.70 121.11 3hmn s GLU 755 Ca 0.48 1.08 0.05 0.00 0.36 0.00 0.00 54.97 56.94 3hmn s GLU 755 Cb -0.26 -3.30 0.19 0.00 0.26 0.00 0.00 34.13 31.03 3hmn s GLU 755 CO 0.32 0.47 0.49 1.19 -0.54 0.00 0.00 175.26 177.19 3hmn n PHE 756 N 2.06 1.46 -1.62 5.30 3.72 -1.26 -5.08 117.46 122.03 3hmn n PHE 756 Ca -0.05 -3.86 -0.49 0.00 -0.05 0.00 0.00 57.45 53.01 3hmn n PHE 756 Cb 0.49 -0.29 -0.05 0.00 -0.94 0.00 0.00 39.48 38.70 3hmn n PHE 756 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3hmn n PRO 757 N 1.98 1.52 -1.65 -1.08 -0.02 -1.26 -4.87 135.00 129.63 3hmn n PRO 757 Ca 0.25 0.55 -0.44 0.00 -2.02 0.00 0.00 63.50 61.84 3hmn n PRO 757 Cb 0.43 -2.18 -0.01 0.00 -0.02 0.00 0.00 33.50 31.71 3hmn n PRO 757 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3hmn n ASP 758 N 2.53 2.13 -4.06 2.55 9.92 -1.26 -5.01 116.55 123.35 3hmn n ASP 758 Ca 0.16 1.19 -0.07 0.00 -0.53 0.00 0.00 54.79 55.54 3hmn n ASP 758 Cb 0.25 -1.39 -0.10 0.00 -0.64 0.00 0.00 41.12 39.24 3hmn n ASP 758 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 3hmn s ILE 759 N -0.97 0.21 0.18 0.53 -4.36 -1.26 -5.08 121.20 110.45 3hmn s ILE 759 Ca 0.58 -1.69 -0.18 0.00 -0.26 0.00 0.00 60.65 59.10 3hmn s ILE 759 Cb -0.64 -1.44 0.14 0.00 1.25 0.00 0.00 42.46 41.77 3hmn s ILE 759 CO 0.60 -0.94 1.62 -0.65 0.24 0.00 0.00 174.94 175.82 3hmn h PRO 760 N 3.17 -0.09 -6.17 0.37 0.11 -2.05 -3.36 132.00 123.98 3hmn h PRO 760 Ca -0.34 0.01 -0.57 0.00 0.11 0.00 0.00 66.00 65.21 3hmn h PRO 760 Cb 1.15 0.02 -0.09 0.00 0.11 0.00 0.00 31.00 32.19 3hmn h PRO 760 CO 0.64 -0.06 1.34 -1.21 -0.21 0.00 0.00 178.00 178.50 3hmn s GLU 761 N -6.15 3.42 0.42 1.05 2.02 -1.26 -4.82 118.70 113.39 3hmn s GLU 761 Ca -0.14 -0.80 0.21 0.00 0.02 0.00 0.00 54.97 54.25 3hmn s GLU 761 Cb 0.16 -4.98 0.90 0.00 0.10 0.00 0.00 34.13 30.31 3hmn s GLU 761 CO 0.71 -2.24 1.83 0.87 0.02 0.00 0.00 175.26 176.45 3hmn h LYS 762 N 9.99 0.00 -0.08 1.61 1.79 -2.01 -2.55 116.57 125.33 3hmn h LYS 762 Ca 0.05 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.51 3hmn h LYS 762 Cb 1.02 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.67 3hmn h LYS 762 CO 1.37 0.28 0.03 -0.44 -1.08 0.00 0.00 179.45 179.61 3hmn h ASP 763 N 0.00 0.12 -0.52 0.86 3.32 -1.95 -2.06 116.42 116.19 3hmn h ASP 763 Ca -0.00 -0.20 0.08 0.00 0.02 0.00 0.00 57.03 56.92 3hmn h ASP 763 Cb 0.73 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 40.18 3hmn h ASP 763 CO 0.04 0.29 0.16 0.25 -1.72 0.00 0.00 179.24 178.26 3hmn h LEU 764 N -0.06 0.13 -0.74 1.55 5.85 -1.88 -0.46 115.31 119.70 3hmn h LEU 764 Ca 0.03 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.89 3hmn h LEU 764 Cb 0.21 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 3hmn h LEU 764 CO -0.00 0.10 0.43 -0.61 -0.34 0.00 0.00 178.44 178.01 3hmn h GLN 765 N 0.32 0.74 -0.44 1.25 4.15 -1.40 -1.40 115.11 118.33 3hmn h GLN 765 Ca 0.26 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.58 3hmn h GLN 765 Cb 0.31 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 3hmn h GLN 765 CO -0.29 0.49 0.08 0.22 -1.93 0.00 0.00 178.83 177.41 3hmn h ASP 766 N 0.76 0.70 -0.63 -0.69 3.58 -0.59 -2.05 116.42 117.50 3hmn h ASP 766 Ca 0.34 -0.25 0.07 0.00 0.42 0.00 0.00 57.03 57.60 3hmn h ASP 766 Cb 0.23 -0.18 -0.06 0.00 1.72 0.00 0.00 39.33 41.04 3hmn h ASP 766 CO -0.20 0.77 0.32 0.58 -2.88 0.00 0.00 179.24 177.83 3hmn h VAL 767 N 0.59 0.91 -0.56 2.25 2.07 -0.57 -0.95 116.25 120.00 3hmn h VAL 767 Ca 0.14 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 3hmn h VAL 767 Cb 0.37 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 3hmn h VAL 767 CO 0.01 0.11 0.20 -0.07 0.02 0.00 0.00 177.57 177.83 3hmn h LEU 768 N 0.58 0.79 -0.70 2.57 3.38 -1.03 -1.70 115.31 119.21 3hmn h LEU 768 Ca 0.29 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3hmn h LEU 768 Cb 0.24 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3hmn h LEU 768 CO -0.21 0.77 0.32 0.11 0.09 0.00 0.00 178.44 179.51 3hmn h LYS 769 N 0.77 1.02 -0.36 1.13 1.57 -0.95 -2.30 116.57 117.45 3hmn h LYS 769 Ca 0.18 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 3hmn h LYS 769 Cb 0.24 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3hmn h LYS 769 CO -0.01 0.82 -0.17 0.00 -0.57 0.00 0.00 179.45 179.53 3hmn n LEU 772 N -4.19 6.34 -4.63 0.00 4.77 -0.87 -4.01 117.00 114.42 3hmn n LEU 772 Ca 0.01 -3.39 -0.42 0.00 -0.03 0.00 0.00 56.01 52.19 3hmn n LEU 772 Cb 0.33 -0.83 -0.05 0.00 -2.33 0.00 0.00 43.42 40.54 3hmn n LEU 772 CO 0.41 1.05 0.58 -0.54 -1.33 0.00 0.00 177.39 177.55 3hmn s LYS 773 N -2.80 4.07 0.34 3.23 1.02 -1.21 -4.97 119.74 119.42 3hmn s LYS 773 Ca 0.48 0.71 0.05 0.00 0.02 0.00 0.00 55.97 57.23 3hmn s LYS 773 Cb 0.40 -3.68 0.69 0.00 -0.52 0.00 0.00 37.83 34.71 3hmn s LYS 773 CO 0.07 -0.57 1.91 0.00 -0.92 0.00 0.00 175.35 175.84 3hmn h ARG 774 N 7.92 0.81 -6.38 1.68 3.08 -1.94 -3.39 114.38 116.16 3hmn h ARG 774 Ca -0.24 -0.05 -0.57 0.00 0.07 0.00 0.00 59.98 59.19 3hmn h ARG 774 Cb 1.10 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 30.92 3hmn h ARG 774 CO 0.86 0.54 0.97 0.34 -1.07 0.00 0.00 179.97 181.61 3hmn s ASP 775 N -5.99 6.65 0.28 7.04 -1.08 -1.26 -4.73 116.67 117.59 3hmn s ASP 775 Ca -0.10 1.13 0.02 0.00 -0.52 0.00 0.00 52.55 53.07 3hmn s ASP 775 Cb 0.20 -2.54 0.61 0.00 -1.46 0.00 0.00 42.92 39.73 3hmn s ASP 775 CO 0.79 -1.11 1.79 -0.65 0.52 0.00 0.00 175.17 176.51 3hmn h PRO 776 N 9.36 0.78 -0.67 4.34 0.11 -1.95 -0.38 132.00 143.59 3hmn h PRO 776 Ca -0.26 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.85 3hmn h PRO 776 Cb 1.09 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 31.98 3hmn h PRO 776 CO 1.04 0.52 0.40 0.87 -0.21 0.00 0.00 178.00 180.62 3hmn h LYS 777 N 0.81 0.74 0.00 1.05 1.57 -1.93 -1.75 116.57 117.05 3hmn h LYS 777 Ca 0.51 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.25 3hmn h LYS 777 Cb 0.68 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 3hmn h LYS 777 CO -0.33 0.49 -0.00 1.96 -0.57 0.00 0.00 179.45 180.99 3hmn h GLN 778 N 0.76 0.00 -7.00 3.15 1.08 -1.58 -3.45 115.11 108.07 3hmn h GLN 778 Ca 0.29 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.98 3hmn h GLN 778 Cb 0.10 0.00 0.06 0.00 -0.05 0.00 0.00 27.48 27.58 3hmn h GLN 778 CO -0.14 0.00 0.47 0.50 -0.95 0.00 0.00 178.83 178.71 3hmn s ARG 779 N -3.47 3.83 0.36 1.46 3.52 -0.27 -4.96 118.95 119.41 3hmn s ARG 779 Ca 0.04 1.72 -0.26 0.00 -0.13 0.00 0.00 55.73 57.10 3hmn s ARG 779 Cb 0.07 -2.42 -0.09 0.00 -1.56 0.00 0.00 34.95 30.95 3hmn s ARG 779 CO 0.60 -0.48 1.11 -1.50 -0.81 0.00 0.00 175.30 174.22 3hmn s ILE 780 N -1.57 3.43 0.70 4.11 2.07 -1.19 -4.99 121.20 123.77 3hmn s ILE 780 Ca 0.63 1.25 -0.05 0.00 -1.41 0.00 0.00 60.65 61.06 3hmn s ILE 780 Cb -0.27 -3.72 0.08 0.00 0.13 0.00 0.00 42.46 38.68 3hmn s ILE 780 CO 0.33 0.15 1.00 -0.94 -1.91 0.00 0.00 174.94 173.57 3hmn s SER 781 N -1.18 4.65 0.04 4.50 1.04 -1.26 -4.90 113.70 116.60 3hmn s SER 781 Ca 0.53 0.21 -0.21 0.00 0.48 0.00 0.00 55.95 56.97 3hmn s SER 781 Cb -0.28 -0.80 -0.14 0.00 0.10 0.00 0.00 66.02 64.89 3hmn s SER 781 CO 0.36 -1.67 1.38 0.40 0.98 0.00 0.00 173.24 174.69 3hmn h ILE 782 N -0.57 1.33 -0.80 -1.02 1.08 -1.96 -1.48 117.51 114.08 3hmn h ILE 782 Ca -0.43 -1.19 0.06 0.00 -0.39 0.00 0.00 64.86 62.92 3hmn h ILE 782 Cb 1.30 1.79 -0.05 0.00 -3.07 0.00 0.00 36.82 36.79 3hmn h ILE 782 CO 0.53 0.35 0.53 -0.65 -0.69 0.00 0.00 178.15 178.22 3hmn h PRO 783 N -0.02 0.85 -0.50 2.37 0.11 -1.98 -0.41 132.00 132.42 3hmn h PRO 783 Ca 0.03 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 3hmn h PRO 783 Cb 0.59 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 3hmn h PRO 783 CO 0.03 0.56 0.27 0.93 -0.21 0.00 0.00 178.00 179.58 3hmn h GLU 784 N 0.88 0.69 -0.01 1.05 5.08 -1.93 -2.80 114.58 117.53 3hmn h GLU 784 Ca 0.35 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 3hmn h GLU 784 Cb 0.23 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3hmn h GLU 784 CO -0.12 0.54 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.20 3hmn h LEU 785 N 0.66 0.02 -1.12 1.33 3.38 -0.14 -2.14 115.31 117.29 3hmn h LEU 785 Ca 0.17 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3hmn h LEU 785 Cb 0.05 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3hmn h LEU 785 CO -0.03 0.18 -0.01 -0.07 0.09 0.00 0.00 178.44 178.59 3hmn h LEU 786 N 0.02 0.00 -1.15 1.67 3.38 -0.86 -2.76 115.31 115.61 3hmn h LEU 786 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hmn h LEU 786 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3hmn h LEU 786 CO 0.02 0.01 -0.37 0.00 0.09 0.00 0.00 178.44 178.19 3hmn n ALA 787 N -2.10 3.32 -1.77 1.53 0.00 -0.86 -4.75 120.51 115.89 3hmn n ALA 787 Ca 0.01 -0.64 -0.39 0.00 0.00 0.00 0.00 53.44 52.42 3hmn n ALA 787 Cb 0.36 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.00 3hmn n ALA 787 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3hmn s HIS 788 N -2.39 2.71 0.29 0.00 5.04 -0.89 -4.84 115.29 115.21 3hmn s HIS 788 Ca 0.21 1.38 0.04 0.00 -1.54 0.00 0.00 55.06 55.15 3hmn s HIS 788 Cb 0.19 -3.72 0.70 0.00 0.04 0.00 0.00 32.58 29.78 3hmn s HIS 788 CO 0.52 -2.31 1.77 -1.35 -2.34 0.00 0.00 174.74 171.02 3hmn h PRO 789 N 2.50 0.69 -1.01 2.88 0.11 -1.92 -2.23 132.00 133.03 3hmn h PRO 789 Ca -0.50 -0.04 0.25 0.00 0.11 0.00 0.00 66.00 65.82 3hmn h PRO 789 Cb 1.25 -0.16 -0.13 0.00 0.11 0.00 0.00 31.00 32.08 3hmn h PRO 789 CO 0.62 0.46 0.60 -0.92 -0.21 0.00 0.00 178.00 178.54 3hmn h TYR 790 N 0.71 1.00 0.00 0.65 3.20 -1.90 0.81 116.97 121.44 3hmn h TYR 790 Ca 0.56 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.46 3hmn h TYR 790 Cb 0.87 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.85 3hmn h TYR 790 CO -0.03 0.05 -1.30 1.33 -1.64 0.00 0.00 178.16 176.57 3hmn n VAL 791 N -4.89 0.23 -0.14 1.81 0.24 -0.88 -4.62 118.33 110.08 3hmn n VAL 791 Ca 0.27 -0.39 -0.29 0.00 -2.04 0.00 0.00 64.34 61.90 3hmn n VAL 791 Cb 0.77 0.04 -0.10 0.00 -1.47 0.00 0.00 33.84 33.08 3hmn n VAL 791 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hmn n GLN 792 N -2.21 0.59 -2.53 7.34 1.13 -0.54 -4.97 117.38 116.19 3hmn n GLN 792 Ca -0.00 0.29 -0.43 0.00 -1.94 0.00 0.00 57.00 54.92 3hmn n GLN 792 Cb 0.50 -1.51 -0.02 0.00 0.11 0.00 0.00 30.24 29.31 3hmn n GLN 792 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3hmn s ILE 793 N -2.51 4.45 -2.00 5.09 1.01 0.17 -5.08 121.20 122.33 3hmn s ILE 793 Ca -0.38 1.75 0.26 0.00 0.00 0.00 0.00 60.65 62.28 3hmn s ILE 793 Cb 0.14 -4.13 0.73 0.00 0.01 0.00 0.00 42.46 39.22 3hmn s ILE 793 CO 0.50 -0.07 1.89 0.00 0.00 0.00 0.00 174.94 177.26