#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qvk h ALA 502 N 0.00 0.75 0.00 -1.41 0.00 -1.79 -0.45 119.26 116.36 2qvk h ALA 502 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2qvk h ALA 502 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2qvk h ALA 502 CO 0.00 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.92 2qvk n GLY 503 N 1.19 3.34 3.10 0.00 0.00 -1.10 -4.41 105.19 107.32 2qvk n GLY 503 Ca 0.01 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 2qvk n GLY 503 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qvk s ILE 504 N -2.31 2.07 -0.10 -0.61 1.01 0.15 -1.63 121.20 119.78 2qvk s ILE 504 Ca 0.00 -1.13 -0.03 0.00 0.00 0.00 0.00 60.65 59.49 2qvk s ILE 504 Cb 0.00 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 2qvk s ILE 504 CO 0.00 0.38 0.03 -0.36 0.00 0.00 0.00 174.94 174.99 2qvk s PHE 505 N 1.24 3.25 -0.03 3.97 0.08 -0.05 -0.76 117.98 125.68 2qvk s PHE 505 Ca 0.01 0.25 -0.25 0.00 0.12 0.00 0.00 56.93 57.05 2qvk s PHE 505 Cb -0.15 -1.84 0.05 0.00 -0.57 0.00 0.00 43.02 40.51 2qvk s PHE 505 CO -0.11 0.50 0.55 -0.08 -0.10 0.00 0.00 175.22 175.98 2qvk s THR 506 N -0.82 0.02 0.91 0.64 -1.32 -0.36 -0.06 115.64 114.66 2qvk s THR 506 Ca 0.13 -0.17 -0.12 0.00 -1.21 0.00 0.00 61.69 60.32 2qvk s THR 506 Cb -0.12 -0.87 0.13 0.00 -1.51 0.00 0.00 72.50 70.14 2qvk s THR 506 CO 0.03 -0.09 1.10 -0.36 -2.21 0.00 0.00 174.62 173.08 2qvk s PHE 507 N -1.31 2.34 0.29 9.09 0.08 0.15 -0.46 117.98 128.16 2qvk s PHE 507 Ca -0.12 1.16 0.01 0.00 0.12 0.00 0.00 56.93 58.11 2qvk s PHE 507 Cb -0.02 -3.19 0.44 0.00 -0.57 0.00 0.00 43.02 39.68 2qvk s PHE 507 CO 0.07 -2.43 1.78 1.49 -0.10 0.00 0.00 175.22 176.03 2qvk h GLU 508 N -1.56 0.60 -2.80 0.44 4.57 -1.89 -3.42 114.58 110.52 2qvk h GLU 508 Ca -0.50 -0.17 0.04 0.00 -1.18 0.00 0.00 59.36 57.55 2qvk h GLU 508 Cb 1.29 -0.06 -0.11 0.00 -0.16 0.00 0.00 28.75 29.71 2qvk h GLU 508 CO 0.56 0.69 0.29 -1.83 -1.18 0.00 0.00 179.01 177.55 2qvk s GLU 509 N -4.79 1.29 0.20 1.92 -1.05 -1.26 -5.05 118.70 109.96 2qvk s GLU 509 Ca -0.08 -0.57 0.23 0.00 -0.15 0.00 0.00 54.97 54.41 2qvk s GLU 509 Cb 0.14 0.54 0.23 0.00 -0.44 0.00 0.00 34.13 34.60 2qvk s GLU 509 CO 0.79 -0.58 1.27 -1.00 0.95 0.00 0.00 175.26 176.69 2qvk h PRO 510 N 2.00 0.00 -3.65 -4.83 0.13 -1.91 -3.44 132.00 120.30 2qvk h PRO 510 Ca -0.28 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.58 2qvk h PRO 510 Cb 1.28 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.09 2qvk h PRO 510 CO 0.32 0.00 -0.73 0.08 -0.23 0.00 0.00 178.00 177.44 2qvk s VAL 511 N -3.25 -0.00 0.02 1.56 1.01 -1.26 -0.59 120.40 117.89 2qvk s VAL 511 Ca 0.04 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2qvk s VAL 511 Cb 0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 36.38 36.39 2qvk s VAL 511 CO 0.74 0.06 -0.03 0.42 0.00 0.00 0.00 175.10 176.28 2qvk s THR 512 N 0.60 0.13 -0.12 3.92 -4.23 -0.12 -4.96 115.64 110.85 2qvk s THR 512 Ca -0.05 -0.94 -0.02 0.00 -1.18 0.00 0.00 61.69 59.49 2qvk s THR 512 Cb -0.07 -0.31 -0.03 0.00 1.34 0.00 0.00 72.50 73.43 2qvk s THR 512 CO -0.02 -0.51 -0.04 -1.00 -0.54 0.00 0.00 174.62 172.51 2qvk s HIS 513 N -1.53 3.01 0.05 3.99 3.76 -1.26 -0.67 115.29 122.64 2qvk s HIS 513 Ca -0.15 -0.18 0.03 0.00 -0.15 0.00 0.00 55.06 54.62 2qvk s HIS 513 Cb -0.09 -1.87 -0.02 0.00 1.11 0.00 0.00 32.58 31.70 2qvk s HIS 513 CO -0.01 0.11 -0.10 0.14 -0.85 0.00 0.00 174.74 174.02 2qvk s VAL 514 N -0.08 0.78 0.45 -0.90 -7.23 -0.12 -4.94 120.40 108.36 2qvk s VAL 514 Ca 0.02 -1.11 -0.23 0.00 -1.81 0.00 0.00 61.98 58.84 2qvk s VAL 514 Cb -0.13 -0.79 -0.08 0.00 0.56 0.00 0.00 36.38 35.94 2qvk s VAL 514 CO 0.03 -0.27 1.16 -0.55 -0.31 0.00 0.00 175.10 175.15 2qvk s SER 515 N -1.53 6.26 0.64 4.85 0.15 -1.26 -0.05 113.70 122.76 2qvk s SER 515 Ca -0.06 2.30 0.32 0.00 0.70 0.00 0.00 55.95 59.21 2qvk s SER 515 Cb -0.09 -2.60 1.76 0.00 -1.71 0.00 0.00 66.02 63.37 2qvk s SER 515 CO 0.01 -0.85 2.04 1.05 1.20 0.00 0.00 173.24 176.68 2qvk h GLU 516 N 2.17 0.00 -0.66 5.44 4.11 -1.58 -1.47 114.58 122.58 2qvk h GLU 516 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2qvk h GLU 516 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2qvk h GLU 516 CO 0.61 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.56 2qvk n SER 517 N -3.23 3.79 0.25 3.06 3.41 -1.26 -3.57 113.62 116.07 2qvk n SER 517 Ca -0.00 -2.11 0.08 0.00 -0.26 0.00 0.00 58.87 56.57 2qvk n SER 517 Cb 0.35 -0.47 0.61 0.00 -0.26 0.00 0.00 64.21 64.44 2qvk n SER 517 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 2qvk h ILE 518 N 3.85 1.02 0.00 -1.33 2.10 -1.58 -3.46 117.51 118.10 2qvk h ILE 518 Ca 0.00 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 65.77 2qvk h ILE 518 Cb 1.02 1.09 0.00 0.00 -1.09 0.00 0.00 36.82 37.84 2qvk h ILE 518 CO 0.06 0.05 0.00 0.61 -1.08 0.00 0.00 178.15 177.79 2qvk n GLY 519 N -1.38 2.29 3.13 8.18 0.00 -1.26 -4.69 105.19 111.45 2qvk n GLY 519 Ca -0.03 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 2qvk n GLY 519 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qvk s ILE 520 N 0.00 1.92 -0.20 -0.61 -1.09 -1.26 -1.62 121.20 118.33 2qvk s ILE 520 Ca 0.00 -0.88 -0.11 0.00 -2.23 0.00 0.00 60.65 57.43 2qvk s ILE 520 Cb 0.00 -1.71 -0.05 0.00 -1.58 0.00 0.00 42.46 39.12 2qvk s ILE 520 CO 0.00 0.52 0.17 -0.32 -1.23 0.00 0.00 174.94 174.08 2qvk s MET 521 N 0.98 4.17 -0.35 2.79 -2.45 0.28 -4.94 119.30 119.78 2qvk s MET 521 Ca -0.04 -0.17 -0.06 0.00 -1.25 0.00 0.00 55.69 54.17 2qvk s MET 521 Cb -0.15 -3.45 0.05 0.00 1.25 0.00 0.00 34.83 32.53 2qvk s MET 521 CO -0.04 0.22 0.13 -1.21 1.05 0.00 0.00 175.02 175.16 2qvk s GLU 522 N 0.58 2.58 -0.22 4.11 2.02 -1.26 -0.62 118.70 125.89 2qvk s GLU 522 Ca 0.10 -1.26 -0.11 0.00 0.02 0.00 0.00 54.97 53.72 2qvk s GLU 522 Cb -0.12 -3.50 -0.05 0.00 0.10 0.00 0.00 34.13 30.56 2qvk s GLU 522 CO 0.01 -0.73 0.18 0.08 0.02 0.00 0.00 175.26 174.83 2qvk s VAL 523 N 1.39 5.35 0.10 2.63 1.01 0.26 -4.92 120.40 126.22 2qvk s VAL 523 Ca -0.01 0.26 -0.14 0.00 0.00 0.00 0.00 61.98 62.10 2qvk s VAL 523 Cb -0.20 -3.52 -0.06 0.00 0.00 0.00 0.00 36.38 32.59 2qvk s VAL 523 CO 0.02 0.37 0.49 -0.54 0.00 0.00 0.00 175.10 175.44 2qvk s LYS 524 N 0.83 3.94 -0.13 2.72 -0.14 -1.26 -0.26 119.74 125.44 2qvk s LYS 524 Ca 0.10 0.42 0.02 0.00 -1.36 0.00 0.00 55.97 55.15 2qvk s LYS 524 Cb -0.13 -3.02 0.01 0.00 -1.68 0.00 0.00 37.83 33.01 2qvk s LYS 524 CO 0.03 0.55 -0.20 0.08 -0.76 0.00 0.00 175.35 175.04 2qvk s VAL 525 N -1.35 1.91 0.02 3.17 1.01 -0.19 -3.95 120.40 121.02 2qvk s VAL 525 Ca 0.33 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.44 2qvk s VAL 525 Cb -0.15 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 2qvk s VAL 525 CO 0.18 0.52 0.02 -0.76 0.00 0.00 0.00 175.10 175.07 2qvk s LEU 526 N 0.81 3.60 -0.20 3.92 1.02 0.39 -1.61 118.68 126.61 2qvk s LEU 526 Ca -0.08 -0.01 -0.04 0.00 0.02 0.00 0.00 54.13 54.02 2qvk s LEU 526 Cb -0.16 -2.14 -0.02 0.00 0.02 0.00 0.00 46.19 43.89 2qvk s LEU 526 CO -0.01 0.25 -0.02 -0.60 0.02 0.00 0.00 176.35 175.99 2qvk s ARG 527 N -1.81 3.51 0.21 1.70 3.52 0.18 -1.22 118.95 125.05 2qvk s ARG 527 Ca 0.22 -0.57 0.10 0.00 -0.13 0.00 0.00 55.73 55.36 2qvk s ARG 527 Cb -0.12 -3.03 -0.05 0.00 -1.56 0.00 0.00 34.95 30.19 2qvk s ARG 527 CO 0.14 -0.06 -0.20 0.95 -0.81 0.00 0.00 175.30 175.32 2qvk s THR 528 N 1.16 2.14 -1.45 4.11 -4.23 0.06 -4.82 115.64 112.60 2qvk s THR 528 Ca 0.02 -2.14 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 2qvk s THR 528 Cb -0.15 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.61 2qvk s THR 528 CO 0.00 -0.33 0.00 -1.20 -0.54 0.00 0.00 174.62 172.55 2qvk n SER 529 N -0.09 -4.94 0.00 3.99 7.64 -1.26 -0.67 113.62 118.28 2qvk n SER 529 Ca -0.10 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2qvk n SER 529 Cb 0.58 -4.16 0.00 0.00 -1.01 0.00 0.00 64.21 59.62 2qvk n SER 529 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qvk n GLY 530 N -0.89 4.38 0.99 0.23 0.00 -1.26 -4.51 105.19 104.12 2qvk n GLY 530 Ca -0.20 -0.60 0.05 0.00 0.00 0.00 0.00 46.02 45.27 2qvk n GLY 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qvk n ALA 531 N -1.06 3.12 -2.67 4.61 0.00 -1.02 -2.69 120.51 120.79 2qvk n ALA 531 Ca 0.00 -2.91 -0.41 0.00 0.00 0.00 0.00 53.44 50.12 2qvk n ALA 531 Cb 0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 19.45 18.90 2qvk n ALA 531 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2qvk s ARG 532 N -1.89 4.32 0.00 0.00 3.52 -0.21 -0.34 118.95 124.35 2qvk s ARG 532 Ca 0.36 1.06 0.00 0.00 -0.13 0.00 0.00 55.73 57.03 2qvk s ARG 532 Cb 0.38 -3.56 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 2qvk s ARG 532 CO -0.11 -0.31 0.00 0.41 -0.81 0.00 0.00 175.30 174.48 2qvk n GLY 533 N 3.39 0.09 3.67 8.12 0.00 -1.26 -4.29 105.19 114.91 2qvk n GLY 533 Ca 0.05 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 2qvk n GLY 533 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qvk s ASN 534 N -1.75 6.52 -0.00 1.61 -0.87 -1.26 -2.69 114.94 116.50 2qvk s ASN 534 Ca 0.00 0.62 0.02 0.00 -1.57 0.00 0.00 52.86 51.93 2qvk s ASN 534 Cb 0.00 -2.27 -0.01 0.00 -0.02 0.00 0.00 41.25 38.96 2qvk s ASN 534 CO 0.00 -0.11 -0.06 -0.69 -2.57 0.00 0.00 177.10 173.66 2qvk s VAL 535 N 1.38 0.49 0.01 1.60 1.01 -0.33 -1.11 120.40 123.45 2qvk s VAL 535 Ca 0.22 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.89 2qvk s VAL 535 Cb -0.15 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 2qvk s VAL 535 CO 0.09 0.09 -0.02 0.27 0.00 0.00 0.00 175.10 175.53 2qvk s ILE 536 N -0.26 3.97 -0.23 2.22 -5.25 -0.10 -0.32 121.20 121.22 2qvk s ILE 536 Ca 0.01 -0.71 0.02 0.00 -0.99 0.00 0.00 60.65 58.98 2qvk s ILE 536 Cb -0.03 -2.77 0.05 0.00 2.95 0.00 0.00 42.46 42.65 2qvk s ILE 536 CO -0.00 0.35 -0.13 -0.69 -1.79 0.00 0.00 174.94 172.68 2qvk s VAL 537 N -1.09 2.02 0.52 8.37 1.01 0.01 -1.23 120.40 130.01 2qvk s VAL 537 Ca 0.19 -1.33 -0.21 0.00 0.00 0.00 0.00 61.98 60.64 2qvk s VAL 537 Cb -0.11 -2.05 -0.06 0.00 0.00 0.00 0.00 36.38 34.15 2qvk s VAL 537 CO 0.10 0.15 1.15 -2.16 0.00 0.00 0.00 175.10 174.34 2qvk s PRO 538 N 1.21 3.47 0.07 2.72 0.04 -1.26 -0.77 135.00 140.48 2qvk s PRO 538 Ca -0.04 1.68 -0.07 0.00 0.04 0.00 0.00 61.00 62.61 2qvk s PRO 538 Cb -0.17 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 32.22 2qvk s PRO 538 CO -0.08 -0.77 0.13 1.52 0.04 0.00 0.00 177.00 177.85 2qvk s TYR 539 N -1.68 0.23 0.05 0.56 -0.85 -0.31 -0.99 117.35 114.36 2qvk s TYR 539 Ca 0.70 -0.65 -0.23 0.00 -0.52 0.00 0.00 57.07 56.37 2qvk s TYR 539 Cb -0.26 -0.14 0.05 0.00 0.38 0.00 0.00 41.96 42.00 2qvk s TYR 539 CO 0.30 -0.48 0.54 -1.59 -1.52 0.00 0.00 175.55 172.80 2qvk s LYS 540 N -3.61 1.06 0.39 -3.49 -2.85 -0.75 -1.74 119.74 108.74 2qvk s LYS 540 Ca 0.03 -0.21 -0.10 0.00 -1.00 0.00 0.00 55.97 54.69 2qvk s LYS 540 Cb 0.04 0.48 -0.06 0.00 -2.06 0.00 0.00 37.83 36.23 2qvk s LYS 540 CO -0.09 -0.39 0.75 0.95 0.10 0.00 0.00 175.35 176.67 2qvk s THR 541 N -2.44 4.80 -0.01 3.79 -4.23 -0.43 -1.19 115.64 115.92 2qvk s THR 541 Ca -0.05 0.59 -0.00 0.00 -1.18 0.00 0.00 61.69 61.04 2qvk s THR 541 Cb -0.01 -3.72 0.02 0.00 1.34 0.00 0.00 72.50 70.13 2qvk s THR 541 CO -0.02 -0.48 0.03 -0.63 -0.54 0.00 0.00 174.62 172.98 2qvk s ILE 542 N -2.31 -0.03 0.55 2.99 1.09 0.03 -4.84 121.20 118.67 2qvk s ILE 542 Ca 0.51 0.12 -0.21 0.00 -1.10 0.00 0.00 60.65 59.97 2qvk s ILE 542 Cb -0.10 -0.06 -0.05 0.00 -1.06 0.00 0.00 42.46 41.19 2qvk s ILE 542 CO 0.30 0.05 1.25 -1.61 -0.10 0.00 0.00 174.94 174.83 2qvk s GLU 543 N 0.60 3.19 0.00 2.79 2.02 -1.26 -0.82 118.70 125.22 2qvk s GLU 543 Ca -0.05 1.96 0.00 0.00 0.02 0.00 0.00 54.97 56.90 2qvk s GLU 543 Cb -0.07 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 32.02 2qvk s GLU 543 CO -0.02 -1.07 0.00 0.41 0.02 0.00 0.00 175.26 174.61 2qvk n GLY 544 N 0.59 1.22 0.09 -1.39 0.00 -0.96 -4.73 105.19 100.01 2qvk n GLY 544 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 2qvk n GLY 544 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2qvk h THR 545 N 0.00 1.33 -4.01 2.61 1.35 -1.66 -3.45 112.91 109.09 2qvk h THR 545 Ca 0.00 -2.89 -0.49 0.00 -0.55 0.00 0.00 66.41 62.48 2qvk h THR 545 Cb 0.00 2.66 0.04 0.00 -1.73 0.00 0.00 68.15 69.12 2qvk h THR 545 CO 0.00 0.76 0.43 0.00 -0.25 0.00 0.00 175.52 176.46 2qvk s ALA 546 N -2.82 2.98 -0.03 6.62 0.00 0.33 -4.77 121.76 124.06 2qvk s ALA 546 Ca 0.02 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.75 2qvk s ALA 546 Cb 0.09 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 2qvk s ALA 546 CO 0.79 -0.42 0.01 1.03 0.00 0.00 0.00 175.76 177.17 2qvk s ARG 547 N -2.76 2.89 0.00 0.00 0.52 -1.26 -4.70 118.95 113.64 2qvk s ARG 547 Ca 0.63 -0.52 0.00 0.00 -0.52 0.00 0.00 55.73 55.32 2qvk s ARG 547 Cb -0.23 -2.74 0.00 0.00 0.52 0.00 0.00 34.95 32.50 2qvk s ARG 547 CO 0.28 0.66 0.00 0.41 0.02 0.00 0.00 175.30 176.67 2qvk n GLY 548 N 1.63 0.96 2.44 -3.53 0.00 -1.26 -0.59 105.19 104.83 2qvk n GLY 548 Ca -0.16 -1.61 -0.19 0.00 0.00 0.00 0.00 46.02 44.06 2qvk n GLY 548 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qvk n GLY 549 N 5.00 0.39 1.99 -0.02 0.00 -1.19 -1.74 105.19 109.63 2qvk n GLY 549 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qvk n GLY 549 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qvk n GLY 550 N -0.74 0.45 0.01 -0.02 0.00 -0.32 -4.97 105.19 99.59 2qvk n GLY 550 Ca -0.22 -0.46 -0.00 0.00 0.00 0.00 0.00 46.02 45.34 2qvk n GLY 550 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qvk h GLU 551 N 0.59 -0.02 0.00 1.61 4.81 -1.47 -3.43 114.58 116.67 2qvk h GLU 551 Ca 0.00 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.04 2qvk h GLU 551 Cb 0.00 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 2qvk h GLU 551 CO 0.00 -0.01 -2.02 -0.25 -0.73 0.00 0.00 179.01 176.00 2qvk n ASP 552 N -2.30 0.94 -3.81 1.04 8.00 0.24 -4.37 116.55 116.30 2qvk n ASP 552 Ca -0.00 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 2qvk n ASP 552 Cb 0.01 1.22 -0.04 0.00 -0.02 0.00 0.00 41.12 42.29 2qvk n ASP 552 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2qvk s PHE 553 N -2.69 -0.03 -0.22 1.24 -0.12 -1.05 -0.87 117.98 114.24 2qvk s PHE 553 Ca -0.08 -0.34 -0.10 0.00 -0.05 0.00 0.00 56.93 56.37 2qvk s PHE 553 Cb 0.07 0.39 -0.05 0.00 -0.63 0.00 0.00 43.02 42.80 2qvk s PHE 553 CO 0.70 -0.97 0.13 -1.21 -0.05 0.00 0.00 175.22 173.82 2qvk s GLU 554 N -3.91 4.10 0.48 1.99 0.41 -0.41 -1.18 118.70 120.18 2qvk s GLU 554 Ca 0.12 -0.26 -0.24 0.00 -0.41 0.00 0.00 54.97 54.18 2qvk s GLU 554 Cb -0.02 -3.45 -0.07 0.00 -1.78 0.00 0.00 34.13 28.82 2qvk s GLU 554 CO 0.01 0.18 1.35 -0.51 -0.49 0.00 0.00 175.26 175.80 2qvk s ASP 555 N 0.70 5.74 0.03 -0.19 1.01 -1.26 -4.54 116.67 118.16 2qvk s ASP 555 Ca 0.07 2.76 -0.17 0.00 0.71 0.00 0.00 52.55 55.92 2qvk s ASP 555 Cb -0.12 -2.64 0.03 0.00 1.01 0.00 0.00 42.92 41.20 2qvk s ASP 555 CO 0.01 -1.25 0.37 0.28 0.21 0.00 0.00 175.17 174.79 2qvk s THR 556 N -1.28 0.06 0.10 -1.27 -1.32 -1.26 -5.03 115.64 105.63 2qvk s THR 556 Ca 0.65 -0.51 -0.26 0.00 -1.21 0.00 0.00 61.69 60.36 2qvk s THR 556 Cb -0.40 -0.87 0.08 0.00 -1.51 0.00 0.00 72.50 69.80 2qvk s THR 556 CO 0.50 -0.28 0.78 0.00 -2.21 0.00 0.00 174.62 173.40 2qvk n GLY 558 N -0.34 -0.89 3.03 0.00 0.00 -0.71 -4.99 105.19 101.28 2qvk n GLY 558 Ca -0.11 -1.07 -0.28 0.00 0.00 0.00 0.00 46.02 44.57 2qvk n GLY 558 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qvk s GLU 559 N -1.57 2.03 -0.22 1.61 8.01 -1.26 -1.16 118.70 126.14 2qvk s GLU 559 Ca 0.00 -0.49 -0.19 0.00 0.01 0.00 0.00 54.97 54.30 2qvk s GLU 559 Cb 0.00 -1.77 -0.03 0.00 -4.31 0.00 0.00 34.13 28.02 2qvk s GLU 559 CO 0.00 -0.09 0.56 -0.51 0.01 0.00 0.00 175.26 175.24 2qvk s LEU 560 N 1.06 4.11 -0.20 1.80 1.43 0.05 -4.86 118.68 122.07 2qvk s LEU 560 Ca -0.06 0.69 -0.15 0.00 -1.03 0.00 0.00 54.13 53.58 2qvk s LEU 560 Cb -0.15 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 2qvk s LEU 560 CO -0.02 -0.26 0.34 -0.70 0.23 0.00 0.00 176.35 175.94 2qvk s GLU 561 N 2.00 4.17 -0.27 1.70 2.12 -1.26 -0.81 118.70 126.35 2qvk s GLU 561 Ca 0.25 0.11 -0.10 0.00 0.36 0.00 0.00 54.97 55.59 2qvk s GLU 561 Cb -0.16 -3.52 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 2qvk s GLU 561 CO 0.09 0.03 0.15 -0.06 -0.54 0.00 0.00 175.26 174.93 2qvk s PHE 562 N 1.12 3.18 0.84 5.30 0.08 0.56 -4.99 117.98 124.07 2qvk s PHE 562 Ca 0.17 -0.05 -0.12 0.00 0.12 0.00 0.00 56.93 57.05 2qvk s PHE 562 Cb -0.14 -2.33 0.10 0.00 -0.57 0.00 0.00 43.02 40.07 2qvk s PHE 562 CO 0.07 -0.22 1.12 -0.65 -0.10 0.00 0.00 175.22 175.44 2qvk s GLN 563 N 1.71 1.71 0.05 0.44 -1.52 -1.26 -1.19 119.66 119.60 2qvk s GLN 563 Ca 0.07 0.43 -0.37 0.00 -1.95 0.00 0.00 55.36 53.54 2qvk s GLN 563 Cb -0.16 -1.89 -0.17 0.00 -0.22 0.00 0.00 33.01 30.57 2qvk s GLN 563 CO 0.09 -1.83 1.34 -1.71 -0.25 0.00 0.00 175.29 172.92 2qvk n ASN 564 N -3.54 1.48 0.00 5.90 2.85 -1.09 -1.29 115.26 119.57 2qvk n ASN 564 Ca 0.07 1.12 0.00 0.00 -0.11 0.00 0.00 54.58 55.66 2qvk n ASN 564 Cb 0.58 -1.15 0.00 0.00 1.24 0.00 0.00 39.78 40.45 2qvk n ASN 564 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2qvk n ASP 565 N 2.60 -3.36 -4.75 1.20 8.00 0.54 -4.94 116.55 115.84 2qvk n ASP 565 Ca 0.19 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.32 2qvk n ASP 565 Cb 0.17 -1.86 -0.06 0.00 -0.02 0.00 0.00 41.12 39.35 2qvk n ASP 565 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2qvk s GLU 566 N -0.90 4.21 0.00 -1.24 2.02 -0.41 -4.99 118.70 117.39 2qvk s GLU 566 Ca 0.00 0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.27 2qvk s GLU 566 Cb 0.00 -3.39 0.00 0.00 0.10 0.00 0.00 34.13 30.84 2qvk s GLU 566 CO 0.00 0.30 0.16 0.44 0.02 0.00 0.00 175.26 176.18 2qvk n ILE 567 N 3.28 0.00 -3.80 -1.63 -5.35 -1.26 -4.70 119.36 105.89 2qvk n ILE 567 Ca -0.11 -0.40 -0.13 0.00 -0.27 0.00 0.00 62.75 61.85 2qvk n ILE 567 Cb 0.52 1.08 -0.14 0.00 -1.74 0.00 0.00 39.64 39.36 2qvk n ILE 567 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2qvk s VAL 568 N -0.47 -0.03 0.16 7.28 1.01 -1.26 -0.65 120.40 126.44 2qvk s VAL 568 Ca 0.00 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.10 2qvk s VAL 568 Cb 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.21 2qvk s VAL 568 CO 0.00 0.04 0.01 -0.54 0.00 0.00 0.00 175.10 174.61 2qvk s LYS 569 N 0.60 1.05 -0.04 2.72 -0.14 -0.63 -5.00 119.74 118.29 2qvk s LYS 569 Ca -0.05 -1.50 0.04 0.00 -1.36 0.00 0.00 55.97 53.10 2qvk s LYS 569 Cb -0.07 -0.16 -0.00 0.00 -1.68 0.00 0.00 37.83 35.93 2qvk s LYS 569 CO -0.02 -0.15 -0.16 0.99 -0.76 0.00 0.00 175.35 175.25 2qvk s THR 570 N -3.74 1.33 -0.22 2.17 2.01 -1.26 -1.02 115.64 114.91 2qvk s THR 570 Ca 0.23 -0.67 -0.06 0.00 0.31 0.00 0.00 61.69 61.51 2qvk s THR 570 Cb 0.06 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.41 2qvk s THR 570 CO 0.03 0.38 0.02 -0.63 -0.69 0.00 0.00 174.62 173.74 2qvk s ILE 571 N 0.02 4.09 -0.25 1.82 1.01 0.65 -4.96 121.20 123.58 2qvk s ILE 571 Ca -0.03 -0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.27 2qvk s ILE 571 Cb -0.11 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 2qvk s ILE 571 CO 0.02 0.40 0.13 -0.44 0.00 0.00 0.00 174.94 175.04 2qvk s SER 572 N 1.20 5.69 -0.13 3.58 0.01 -1.26 -0.57 113.70 122.22 2qvk s SER 572 Ca 0.04 -0.04 0.02 0.00 1.31 0.00 0.00 55.95 57.27 2qvk s SER 572 Cb -0.14 -2.03 -0.01 0.00 0.21 0.00 0.00 66.02 64.05 2qvk s SER 572 CO 0.02 0.00 -0.18 -0.69 0.41 0.00 0.00 173.24 172.80 2qvk s VAL 573 N 1.42 2.56 -0.17 3.43 1.01 0.21 -4.97 120.40 123.89 2qvk s VAL 573 Ca 0.06 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 2qvk s VAL 573 Cb -0.15 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 2qvk s VAL 573 CO 0.06 0.54 1.15 -0.54 0.00 0.00 0.00 175.10 176.31 2qvk s LYS 574 N 0.48 4.28 -0.20 2.72 1.02 -1.26 -0.56 119.74 126.22 2qvk s LYS 574 Ca -0.12 1.53 -0.05 0.00 0.02 0.00 0.00 55.97 57.34 2qvk s LYS 574 Cb -0.16 -3.67 -0.03 0.00 -0.52 0.00 0.00 37.83 33.45 2qvk s LYS 574 CO 0.05 -0.61 0.01 0.08 -0.92 0.00 0.00 175.35 173.96 2qvk s VAL 575 N 3.09 4.08 -0.17 3.17 1.01 -0.64 -1.29 120.40 129.64 2qvk s VAL 575 Ca 0.50 -0.27 -0.12 0.00 0.00 0.00 0.00 61.98 62.09 2qvk s VAL 575 Cb -0.19 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 2qvk s VAL 575 CO 0.13 0.43 0.24 -0.63 0.00 0.00 0.00 175.10 175.27 2qvk s ILE 576 N 0.94 5.34 -1.16 2.22 -1.09 -0.05 -4.06 121.20 123.34 2qvk s ILE 576 Ca 0.02 0.44 -0.21 0.00 -2.23 0.00 0.00 60.65 58.67 2qvk s ILE 576 Cb -0.14 -3.58 0.04 0.00 -1.58 0.00 0.00 42.46 37.19 2qvk s ILE 576 CO 0.02 0.42 1.68 -0.62 -1.23 0.00 0.00 174.94 175.21 2qvk s ASP 577 N 0.35 6.38 0.08 3.58 -1.08 -1.23 -4.63 116.67 120.12 2qvk s ASP 577 Ca 0.14 -1.88 -0.31 0.00 -0.52 0.00 0.00 52.55 49.98 2qvk s ASP 577 Cb -0.12 -2.58 -0.06 0.00 -1.46 0.00 0.00 42.92 38.70 2qvk s ASP 577 CO 0.02 -1.64 1.26 -0.62 0.52 0.00 0.00 175.17 174.71 2qvk s ASP 578 N 5.05 7.00 0.51 -0.34 2.15 -1.26 -4.92 116.67 124.86 2qvk s ASP 578 Ca 0.54 2.12 0.26 0.00 0.43 0.00 0.00 52.55 55.90 2qvk s ASP 578 Cb 0.01 -2.58 1.37 0.00 -0.30 0.00 0.00 42.92 41.42 2qvk s ASP 578 CO 0.02 -0.52 2.05 1.05 -0.17 0.00 0.00 175.17 177.60 2qvk h GLU 579 N 6.72 0.00 -7.07 4.34 4.11 -1.92 -3.44 114.58 117.32 2qvk h GLU 579 Ca -0.42 0.00 -0.45 0.00 0.07 0.00 0.00 59.36 58.56 2qvk h GLU 579 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 2qvk h GLU 579 CO 0.82 0.14 0.36 -1.21 0.07 0.00 0.00 179.01 179.18 2qvk s GLU 580 N -4.20 4.08 -0.05 1.06 2.02 -1.26 -5.06 118.70 115.29 2qvk s GLU 580 Ca -0.03 1.20 0.02 0.00 0.02 0.00 0.00 54.97 56.17 2qvk s GLU 580 Cb 0.13 -2.15 -0.03 0.00 0.10 0.00 0.00 34.13 32.18 2qvk s GLU 580 CO 0.60 -0.16 -0.07 -0.47 0.02 0.00 0.00 175.26 175.18 2qvk s TYR 581 N -2.12 2.93 0.05 1.61 5.04 -1.26 -5.13 117.35 118.46 2qvk s TYR 581 Ca 0.64 0.01 0.05 0.00 -2.44 0.00 0.00 57.07 55.32 2qvk s TYR 581 Cb -0.11 -1.68 -0.03 0.00 0.35 0.00 0.00 41.96 40.49 2qvk s TYR 581 CO 0.16 0.35 -0.13 -1.21 -1.34 0.00 0.00 175.55 173.37 2qvk s GLU 582 N -1.01 0.83 0.15 4.97 2.02 -1.26 -5.05 118.70 119.35 2qvk s GLU 582 Ca 0.14 -0.84 -0.16 0.00 0.02 0.00 0.00 54.97 54.12 2qvk s GLU 582 Cb -0.11 -0.82 0.03 0.00 0.10 0.00 0.00 34.13 33.34 2qvk s GLU 582 CO 0.03 0.19 1.79 -0.22 0.02 0.00 0.00 175.26 177.07 2qvk h LYS 583 N 4.60 0.42 -3.55 1.61 3.64 -2.00 -3.38 116.57 117.91 2qvk h LYS 583 Ca -0.39 -0.03 -0.55 0.00 -1.27 0.00 0.00 60.65 58.42 2qvk h LYS 583 Cb 1.19 -0.09 -0.40 0.00 -0.41 0.00 0.00 32.23 32.51 2qvk h LYS 583 CO 0.42 0.28 -0.76 -0.80 -2.27 0.00 0.00 179.45 176.31 2qvk s ASN 584 N -5.47 3.39 -0.35 4.20 0.01 -1.26 -5.07 114.94 110.38 2qvk s ASN 584 Ca -0.13 -1.15 -0.09 0.00 -0.71 0.00 0.00 52.86 50.78 2qvk s ASN 584 Cb 0.11 -0.70 0.02 0.00 0.41 0.00 0.00 41.25 41.09 2qvk s ASN 584 CO 0.72 -0.35 0.16 -0.75 -1.51 0.00 0.00 177.10 175.37 2qvk s LYS 585 N 1.77 2.90 0.04 -0.60 2.20 -1.26 -4.76 119.74 120.03 2qvk s LYS 585 Ca 0.03 -1.01 0.04 0.00 -0.36 0.00 0.00 55.97 54.67 2qvk s LYS 585 Cb -0.17 -3.61 -0.02 0.00 -1.51 0.00 0.00 37.83 32.52 2qvk s LYS 585 CO -0.16 -0.61 -0.12 0.95 -0.36 0.00 0.00 175.35 175.05 2qvk s THR 586 N 1.53 0.91 0.34 3.43 -4.23 -1.26 -0.93 115.64 115.43 2qvk s THR 586 Ca 0.02 -1.02 0.03 0.00 -1.18 0.00 0.00 61.69 59.54 2qvk s THR 586 Cb -0.19 -0.87 -0.01 0.00 1.34 0.00 0.00 72.50 72.77 2qvk s THR 586 CO 0.05 -0.13 0.38 2.22 -0.54 0.00 0.00 174.62 176.61 2qvk n PHE 587 N 1.74 -1.12 -4.13 3.99 1.16 -0.55 -0.51 117.46 118.04 2qvk n PHE 587 Ca -0.19 -2.55 -0.14 0.00 -1.87 0.00 0.00 57.45 52.70 2qvk n PHE 587 Cb 0.55 0.42 -0.11 0.00 -1.61 0.00 0.00 39.48 38.73 2qvk n PHE 587 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 2qvk s PHE 588 N -3.13 0.92 0.13 2.97 0.08 0.00 -0.26 117.98 118.70 2qvk s PHE 588 Ca 0.34 -0.59 0.10 0.00 0.12 0.00 0.00 56.93 56.90 2qvk s PHE 588 Cb 0.00 -0.52 -0.04 0.00 -0.57 0.00 0.00 43.02 41.89 2qvk s PHE 588 CO 0.24 -0.04 -0.24 -0.51 -0.10 0.00 0.00 175.22 174.57 2qvk s LEU 589 N -2.07 2.45 0.02 -0.37 1.02 -0.24 -0.79 118.68 118.69 2qvk s LEU 589 Ca -0.01 -0.70 0.02 0.00 0.02 0.00 0.00 54.13 53.46 2qvk s LEU 589 Cb -0.06 -1.32 -0.01 0.00 0.02 0.00 0.00 46.19 44.82 2qvk s LEU 589 CO -0.00 0.17 -0.06 -1.61 0.02 0.00 0.00 176.35 174.88 2qvk s GLU 590 N -2.14 0.43 -0.04 1.70 2.02 -0.33 -0.80 118.70 119.53 2qvk s GLU 590 Ca 0.16 -0.42 -0.01 0.00 0.02 0.00 0.00 54.97 54.72 2qvk s GLU 590 Cb -0.10 -0.30 -0.04 0.00 0.10 0.00 0.00 34.13 33.79 2qvk s GLU 590 CO 0.08 0.07 0.03 0.96 0.02 0.00 0.00 175.26 176.42 2qvk s ILE 591 N -0.68 4.47 0.51 -1.63 -4.36 -0.83 -1.81 121.20 116.87 2qvk s ILE 591 Ca -0.04 -0.36 0.05 0.00 -0.26 0.00 0.00 60.65 60.03 2qvk s ILE 591 Cb -0.05 -2.97 0.05 0.00 1.25 0.00 0.00 42.46 40.73 2qvk s ILE 591 CO 0.00 0.47 0.39 0.61 0.24 0.00 0.00 174.94 176.65 2qvk n GLY 592 N 1.63 2.75 3.69 6.27 0.00 -0.16 -4.90 105.19 114.48 2qvk n GLY 592 Ca -0.16 -2.29 -0.42 0.00 0.00 0.00 0.00 46.02 43.15 2qvk n GLY 592 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qvk s GLU 593 N -4.11 4.15 0.66 1.61 0.41 -1.26 -4.30 118.70 115.86 2qvk s GLU 593 Ca 0.30 2.53 -0.14 0.00 -0.41 0.00 0.00 54.97 57.24 2qvk s GLU 593 Cb -0.02 -3.53 0.00 0.00 -1.78 0.00 0.00 34.13 28.80 2qvk s GLU 593 CO 0.19 -0.80 1.08 -1.25 -0.49 0.00 0.00 175.26 173.99 2qvk s PRO 594 N 2.50 2.88 -0.01 0.39 0.04 -1.26 -4.51 135.00 135.02 2qvk s PRO 594 Ca 0.78 1.24 0.02 0.00 0.04 0.00 0.00 61.00 63.08 2qvk s PRO 594 Cb -0.45 -1.97 -0.00 0.00 0.04 0.00 0.00 34.50 32.12 2qvk s PRO 594 CO 0.35 -1.17 -0.08 1.03 0.04 0.00 0.00 177.00 177.17 2qvk s ARG 595 N -4.36 0.72 0.44 4.56 0.52 -0.36 -4.81 118.95 115.65 2qvk s ARG 595 Ca 0.64 -0.29 -0.25 0.00 -0.52 0.00 0.00 55.73 55.31 2qvk s ARG 595 Cb -0.18 -0.69 -0.08 0.00 0.52 0.00 0.00 34.95 34.52 2qvk s ARG 595 CO 0.44 0.16 1.31 -0.51 0.02 0.00 0.00 175.30 176.72 2qvk s LEU 596 N -0.10 4.12 -0.03 2.53 1.43 -1.26 -0.93 118.68 124.43 2qvk s LEU 596 Ca 0.02 2.65 -0.28 0.00 -1.03 0.00 0.00 54.13 55.49 2qvk s LEU 596 Cb -0.04 -4.01 -0.03 0.00 0.03 0.00 0.00 46.19 42.13 2qvk s LEU 596 CO -0.00 -1.01 0.91 -0.69 0.23 0.00 0.00 176.35 175.78 2qvk s VAL 597 N -1.30 4.91 -1.10 -1.59 1.01 -0.27 -4.84 120.40 117.22 2qvk s VAL 597 Ca 0.61 1.89 -0.23 0.00 0.00 0.00 0.00 61.98 64.24 2qvk s VAL 597 Cb -0.38 -4.24 -0.07 0.00 0.00 0.00 0.00 36.38 31.69 2qvk s VAL 597 CO 0.48 0.16 1.93 -0.70 0.00 0.00 0.00 175.10 176.97 2qvk s GLU 598 N 1.11 2.55 0.00 2.72 2.12 -1.26 -4.89 118.70 121.05 2qvk s GLU 598 Ca 0.47 -0.92 0.00 0.00 0.36 0.00 0.00 54.97 54.88 2qvk s GLU 598 Cb -0.20 -5.20 0.00 0.00 0.26 0.00 0.00 34.13 29.00 2qvk s GLU 598 CO 0.24 -3.75 0.00 0.41 -0.54 0.00 0.00 175.26 171.61 2qvk n GLY 632 N 6.12 0.00 3.26 -1.50 0.00 -1.26 -5.20 105.19 106.62 2qvk n GLY 632 Ca 0.43 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.15 2qvk n GLY 632 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qvk s ARG 633 N 0.00 2.32 0.43 1.61 0.52 -1.26 -4.71 118.95 117.86 2qvk s ARG 633 Ca 0.00 -0.88 -0.23 0.00 -0.52 0.00 0.00 55.73 54.11 2qvk s ARG 633 Cb 0.00 -2.05 -0.09 0.00 0.52 0.00 0.00 34.95 33.34 2qvk s ARG 633 CO 0.00 0.42 1.05 -1.25 0.02 0.00 0.00 175.30 175.54 2qvk s PRO 634 N -0.27 4.02 0.18 3.54 0.04 -1.26 -4.65 135.00 136.59 2qvk s PRO 634 Ca 0.00 1.47 -0.02 0.00 0.04 0.00 0.00 61.00 62.49 2qvk s PRO 634 Cb -0.12 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 2qvk s PRO 634 CO 0.02 -0.26 0.13 0.96 0.04 0.00 0.00 177.00 177.89 2qvk s ILE 635 N -1.77 0.03 0.25 0.56 -4.36 -0.64 -4.60 121.20 110.67 2qvk s ILE 635 Ca 0.61 -1.93 -0.17 0.00 -0.26 0.00 0.00 60.65 58.90 2qvk s ILE 635 Cb -0.20 -2.35 -0.08 0.00 1.25 0.00 0.00 42.46 41.08 2qvk s ILE 635 CO 0.25 -0.13 0.72 -0.76 0.24 0.00 0.00 174.94 175.26 2qvk s LEU 636 N -3.12 4.24 0.00 0.37 1.43 -1.26 -0.87 118.68 119.46 2qvk s LEU 636 Ca 0.34 1.34 0.00 0.00 -1.03 0.00 0.00 54.13 54.78 2qvk s LEU 636 Cb 0.07 -3.75 0.00 0.00 0.03 0.00 0.00 46.19 42.53 2qvk s LEU 636 CO 0.09 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.23 2qvk n GLY 637 N 0.31 2.55 0.12 -3.19 0.00 0.92 -4.68 105.19 101.22 2qvk n GLY 637 Ca -0.00 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.06 2qvk n GLY 637 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qvk h GLU 638 N 0.00 0.28 -4.20 1.61 4.81 -1.94 -3.40 114.58 111.73 2qvk h GLU 638 Ca 0.00 -0.14 -0.72 0.00 -0.13 0.00 0.00 59.36 58.38 2qvk h GLU 638 Cb 0.00 -0.00 -0.32 0.00 0.63 0.00 0.00 28.75 29.06 2qvk h GLU 638 CO 0.00 0.65 -0.40 -1.01 -0.73 0.00 0.00 179.01 177.53 2qvk s HIS 639 N -4.40 3.49 -0.48 0.92 3.76 -1.26 -4.85 115.29 112.47 2qvk s HIS 639 Ca -0.14 -2.16 0.13 0.00 -0.15 0.00 0.00 55.06 52.73 2qvk s HIS 639 Cb 0.05 -3.40 -0.15 0.00 1.11 0.00 0.00 32.58 30.18 2qvk s HIS 639 CO 0.73 -0.96 0.49 0.25 -0.85 0.00 0.00 174.74 174.40 2qvk n THR 640 N 4.53 0.00 -4.78 1.30 -2.24 -1.26 -0.68 114.28 111.15 2qvk n THR 640 Ca -0.02 -0.22 -0.25 0.00 -2.27 0.00 0.00 64.05 61.28 2qvk n THR 640 Cb 0.41 0.82 -0.16 0.00 -2.10 0.00 0.00 70.33 69.30 2qvk n THR 640 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2qvk s LYS 641 N -2.37 1.68 -0.16 -0.78 1.02 -1.26 -1.97 119.74 115.90 2qvk s LYS 641 Ca 0.03 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.45 2qvk s LYS 641 Cb 0.09 -1.47 0.03 0.00 -0.52 0.00 0.00 37.83 35.96 2qvk s LYS 641 CO 0.53 0.22 -0.14 -1.17 -0.92 0.00 0.00 175.35 173.88 2qvk s LEU 642 N 0.08 1.80 -0.14 3.17 2.96 0.02 -4.55 118.68 122.01 2qvk s LEU 642 Ca -0.04 -0.56 -0.21 0.00 -0.22 0.00 0.00 54.13 53.10 2qvk s LEU 642 Cb -0.11 -1.20 -0.03 0.00 0.50 0.00 0.00 46.19 45.34 2qvk s LEU 642 CO 0.02 -0.07 0.62 -0.70 -1.32 0.00 0.00 176.35 174.90 2qvk s GLU 643 N 1.46 4.31 -0.25 1.98 2.12 0.24 -1.08 118.70 127.48 2qvk s GLU 643 Ca 0.04 0.66 -0.08 0.00 0.36 0.00 0.00 54.97 55.95 2qvk s GLU 643 Cb -0.13 -3.51 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 2qvk s GLU 643 CO -0.11 -0.07 0.10 0.08 -0.54 0.00 0.00 175.26 174.73 2qvk s VAL 644 N 1.31 4.60 -0.28 3.70 1.01 0.64 -0.95 120.40 130.43 2qvk s VAL 644 Ca 0.31 -0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.11 2qvk s VAL 644 Cb -0.16 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 2qvk s VAL 644 CO 0.13 0.33 0.15 -0.63 0.00 0.00 0.00 175.10 175.08 2qvk s ILE 645 N 1.49 4.89 -0.33 2.22 1.01 0.15 -1.48 121.20 129.14 2qvk s ILE 645 Ca 0.06 -0.08 -0.24 0.00 0.00 0.00 0.00 60.65 60.39 2qvk s ILE 645 Cb -0.15 -3.37 0.01 0.00 0.01 0.00 0.00 42.46 38.96 2qvk s ILE 645 CO 0.05 0.22 0.82 -0.63 0.00 0.00 0.00 174.94 175.40 2qvk s ILE 646 N 1.69 4.73 -0.10 2.92 1.01 -0.10 -0.94 121.20 130.41 2qvk s ILE 646 Ca 0.06 1.14 -0.21 0.00 0.00 0.00 0.00 60.65 61.64 2qvk s ILE 646 Cb -0.16 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 2qvk s ILE 646 CO 0.08 -0.35 0.61 -1.61 0.00 0.00 0.00 174.94 173.66 2qvk s GLU 647 N 3.11 4.38 0.01 2.79 0.41 0.93 -4.39 118.70 125.94 2qvk s GLU 647 Ca 0.34 0.69 -0.13 0.00 -0.41 0.00 0.00 54.97 55.46 2qvk s GLU 647 Cb -0.13 -3.45 -0.06 0.00 -1.78 0.00 0.00 34.13 28.71 2qvk s GLU 647 CO 0.15 0.08 0.39 -1.21 -0.49 0.00 0.00 175.26 174.18 2qvk s GLU 648 N 0.81 3.85 0.25 1.61 0.41 -1.26 -1.45 118.70 122.92 2qvk s GLU 648 Ca 0.32 0.32 0.10 0.00 -0.41 0.00 0.00 54.97 55.31 2qvk s GLU 648 Cb -0.17 -3.17 -0.04 0.00 -1.78 0.00 0.00 34.13 28.97 2qvk s GLU 648 CO 0.14 0.67 -0.09 -1.54 -0.49 0.00 0.00 175.26 173.95 2qvk s SER 649 N -1.23 4.15 0.09 -0.19 1.04 -1.26 -5.01 113.70 111.29 2qvk s SER 649 Ca 0.25 -0.76 0.08 0.00 0.48 0.00 0.00 55.95 56.00 2qvk s SER 649 Cb -0.16 -0.63 -0.03 0.00 0.10 0.00 0.00 66.02 65.30 2qvk s SER 649 CO 0.14 0.04 -0.21 -0.31 0.98 0.00 0.00 173.24 173.88 2qvk s TYR 650 N -2.24 1.79 -0.36 5.02 2.02 -1.26 -5.11 117.35 117.22 2qvk s TYR 650 Ca 0.29 -0.41 -0.13 0.00 -0.37 0.00 0.00 57.07 56.45 2qvk s TYR 650 Cb -0.06 -1.00 -0.00 0.00 -0.40 0.00 0.00 41.96 40.49 2qvk s TYR 650 CO 0.17 0.18 0.25 -2.00 -1.57 0.00 0.00 175.55 172.58 2qvk s GLU 651 N -1.76 3.29 0.05 -0.62 2.12 -1.26 -5.06 118.70 115.46 2qvk s GLU 651 Ca 0.07 -0.79 0.08 0.00 0.36 0.00 0.00 54.97 54.69 2qvk s GLU 651 Cb -0.10 -3.84 -0.03 0.00 0.26 0.00 0.00 34.13 30.42 2qvk s GLU 651 CO 0.04 -0.55 -0.21 -0.06 -0.54 0.00 0.00 175.26 173.94 2qvk s PHE 652 N 1.69 2.48 0.04 5.30 0.08 -1.26 -5.14 117.98 121.17 2qvk s PHE 652 Ca 0.05 -0.31 -0.08 0.00 0.12 0.00 0.00 56.93 56.72 2qvk s PHE 652 Cb -0.18 -1.42 -0.05 0.00 -0.57 0.00 0.00 43.02 40.80 2qvk s PHE 652 CO 0.10 0.23 0.32 0.15 -0.10 0.00 0.00 175.22 175.93 2qvk s LYS 653 N -1.47 3.65 0.00 0.44 -0.14 -1.26 -5.35 119.74 115.62 2qvk s LYS 653 Ca 0.14 0.02 0.24 0.00 -1.36 0.00 0.00 55.97 55.01 2qvk s LYS 653 Cb -0.10 -3.04 1.42 0.00 -1.68 0.00 0.00 37.83 34.43 2qvk s LYS 653 CO 0.05 0.61 1.79 -1.13 -0.76 0.00 0.00 175.35 175.90