#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ozu s PRO 509 N 1.67 0.20 -0.08 0.00 0.04 -1.26 -2.45 135.00 133.12 2ozu s PRO 509 Ca 0.05 -0.35 0.07 0.00 0.04 0.00 0.00 61.00 60.80 2ozu s PRO 509 Cb -0.17 -1.79 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 2ozu s PRO 509 CO -0.18 -2.72 0.02 0.45 0.04 0.00 0.00 177.00 174.61 2ozu n SER 510 N -4.00 3.00 -3.93 6.66 2.88 0.60 -4.75 113.62 114.08 2ozu n SER 510 Ca 0.15 -0.01 -0.10 0.00 -1.33 0.00 0.00 58.87 57.58 2ozu n SER 510 Cb 0.59 0.62 -0.12 0.00 -0.75 0.00 0.00 64.21 64.55 2ozu n SER 510 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2ozu s VAL 511 N -2.20 0.07 0.12 2.46 1.01 -0.95 -1.06 120.40 119.85 2ozu s VAL 511 Ca -0.05 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 61.50 2ozu s VAL 511 Cb 0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.21 2ozu s VAL 511 CO 0.33 -0.28 -0.21 0.27 0.00 0.00 0.00 175.10 175.20 2ozu s ILE 512 N -0.83 1.82 -0.23 2.22 -4.36 0.88 -2.34 121.20 118.36 2ozu s ILE 512 Ca -0.09 -1.66 -0.10 0.00 -0.26 0.00 0.00 60.65 58.55 2ozu s ILE 512 Cb -0.06 -1.68 -0.05 0.00 1.25 0.00 0.00 42.46 41.93 2ozu s ILE 512 CO -0.01 -0.10 0.13 -0.70 0.24 0.00 0.00 174.94 174.51 2ozu s GLU 513 N -2.13 4.00 -0.33 0.37 2.12 -0.44 -0.40 118.70 121.90 2ozu s GLU 513 Ca 0.10 -0.31 -0.02 0.00 0.36 0.00 0.00 54.97 55.10 2ozu s GLU 513 Cb -0.09 -3.46 0.12 0.00 0.26 0.00 0.00 34.13 30.96 2ozu s GLU 513 CO 0.05 0.06 0.17 0.12 -0.54 0.00 0.00 175.26 175.13 2ozu s PHE 514 N 1.02 0.62 0.00 5.30 5.36 0.10 -1.86 117.98 128.53 2ozu s PHE 514 Ca 0.06 -1.33 0.00 0.00 -0.96 0.00 0.00 56.93 54.70 2ozu s PHE 514 Cb -0.14 -0.96 0.00 0.00 -0.34 0.00 0.00 43.02 41.58 2ozu s PHE 514 CO 0.04 -0.83 0.00 0.41 -1.46 0.00 0.00 175.22 173.38 2ozu n GLY 515 N 4.57 2.58 0.00 13.12 0.00 -1.26 -2.08 105.19 122.11 2ozu n GLY 515 Ca 0.04 -0.30 0.13 0.00 0.00 0.00 0.00 46.02 45.88 2ozu n GLY 515 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2ozu n LYS 516 N 13.39 0.47 -3.96 1.61 2.85 -1.26 -4.88 118.16 126.39 2ozu n LYS 516 Ca 0.00 0.03 -0.36 0.00 -1.05 0.00 0.00 58.31 56.93 2ozu n LYS 516 Cb 0.00 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 32.81 2ozu n LYS 516 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2ozu s TYR 517 N -2.44 3.50 -0.23 5.58 2.02 -0.88 -5.08 117.35 119.81 2ozu s TYR 517 Ca 0.28 0.44 -0.14 0.00 -0.37 0.00 0.00 57.07 57.28 2ozu s TYR 517 Cb 0.18 -1.94 -0.04 0.00 -0.40 0.00 0.00 41.96 39.76 2ozu s TYR 517 CO 0.37 0.64 0.33 -2.00 -1.57 0.00 0.00 175.55 173.33 2ozu s GLU 518 N -0.85 4.10 -0.17 -0.62 2.12 -1.26 0.02 118.70 122.04 2ozu s GLU 518 Ca 0.14 0.04 0.01 0.00 0.36 0.00 0.00 54.97 55.51 2ozu s GLU 518 Cb -0.12 -3.57 0.02 0.00 0.26 0.00 0.00 34.13 30.72 2ozu s GLU 518 CO 0.03 -0.09 -0.18 0.42 -0.54 0.00 0.00 175.26 174.90 2ozu s ILE 519 N 1.48 1.91 -0.01 -3.70 1.01 0.47 -4.98 121.20 117.38 2ozu s ILE 519 Ca 0.15 -0.85 -0.30 0.00 0.00 0.00 0.00 60.65 59.65 2ozu s ILE 519 Cb -0.15 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 2ozu s ILE 519 CO 0.08 0.52 1.01 -1.00 0.00 0.00 0.00 174.94 175.55 2ozu s HIS 520 N 1.33 3.60 0.57 3.97 3.76 -1.26 -0.09 115.29 127.18 2ozu s HIS 520 Ca 0.05 1.63 -0.06 0.00 -0.15 0.00 0.00 55.06 56.52 2ozu s HIS 520 Cb -0.13 -3.17 -0.01 0.00 1.11 0.00 0.00 32.58 30.38 2ozu s HIS 520 CO -0.12 -0.21 0.89 0.95 -0.85 0.00 0.00 174.74 175.40 2ozu s THR 521 N 1.17 4.03 -0.10 1.30 -4.23 -0.22 -4.97 115.64 112.63 2ozu s THR 521 Ca 0.52 0.15 0.09 0.00 -1.18 0.00 0.00 61.69 61.27 2ozu s THR 521 Cb -0.22 -3.59 -0.13 0.00 1.34 0.00 0.00 72.50 69.91 2ozu s THR 521 CO 0.27 -0.62 0.04 0.79 -0.54 0.00 0.00 174.62 174.56 2ozu n TRP 522 N -2.54 0.00 -4.08 3.99 8.01 0.25 -4.84 117.44 118.22 2ozu n TRP 522 Ca 0.04 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 56.15 2ozu n TRP 522 Cb 0.57 -0.48 -0.10 0.00 -2.01 0.00 0.00 31.31 29.28 2ozu n TRP 522 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 2ozu s TYR 523 N -2.26 0.53 0.67 -5.99 2.02 -0.45 -4.61 117.35 107.25 2ozu s TYR 523 Ca -0.05 -0.97 -0.17 0.00 -0.37 0.00 0.00 57.07 55.51 2ozu s TYR 523 Cb 0.03 -0.38 0.00 0.00 -0.40 0.00 0.00 41.96 41.22 2ozu s TYR 523 CO 0.41 -0.32 1.26 -1.12 -1.57 0.00 0.00 175.55 174.20 2ozu s SER 524 N -2.71 4.53 -0.01 2.29 0.01 -1.26 -4.30 113.70 112.26 2ozu s SER 524 Ca 0.04 2.51 0.01 0.00 1.31 0.00 0.00 55.95 59.82 2ozu s SER 524 Cb 0.05 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2ozu s SER 524 CO -0.08 -2.05 -0.03 -0.55 0.41 0.00 0.00 173.24 170.94 2ozu s SER 525 N -1.62 0.44 -1.11 2.44 0.15 -1.03 -4.49 113.70 108.49 2ozu s SER 525 Ca 0.79 -0.06 -0.08 0.00 0.70 0.00 0.00 55.95 57.30 2ozu s SER 525 Cb -0.34 -0.10 -0.13 0.00 -1.71 0.00 0.00 66.02 63.74 2ozu s SER 525 CO 0.41 0.01 2.96 -0.81 1.20 0.00 0.00 173.24 177.00 2ozu n PRO 526 N 3.28 3.00 -1.72 5.44 -0.04 -1.26 -4.65 135.00 139.05 2ozu n PRO 526 Ca -0.16 -1.77 -0.43 0.00 -0.04 0.00 0.00 63.50 61.10 2ozu n PRO 526 Cb 0.57 -2.53 -0.03 0.00 -0.04 0.00 0.00 33.50 31.47 2ozu n PRO 526 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ozu n TYR 527 N 3.39 2.67 -1.56 0.54 4.01 -1.26 -4.90 117.16 120.06 2ozu n TYR 527 Ca 0.64 0.20 -0.50 0.00 -0.16 0.00 0.00 57.90 58.08 2ozu n TYR 527 Cb 0.38 -2.60 -0.05 0.00 -0.31 0.00 0.00 39.34 36.76 2ozu n TYR 527 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2ozu n PRO 528 N 2.94 0.95 -1.47 -0.72 -0.02 -1.26 -3.30 135.00 132.13 2ozu n PRO 528 Ca 0.13 0.34 -0.51 0.00 -2.02 0.00 0.00 63.50 61.43 2ozu n PRO 528 Cb 0.34 -1.81 -0.05 0.00 -0.02 0.00 0.00 33.50 31.97 2ozu n PRO 528 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2ozu n GLN 529 N 1.72 0.26 0.00 -0.52 6.02 -1.26 -2.22 117.38 121.37 2ozu n GLN 529 Ca 0.16 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 2ozu n GLN 529 Cb 0.22 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.14 2ozu n GLN 529 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 2ozu n GLU 530 N 1.27 0.00 -0.01 -1.09 0.28 -1.26 -4.75 120.64 115.08 2ozu n GLU 530 Ca 0.18 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.27 2ozu n GLU 530 Cb 0.20 -0.16 -0.13 0.00 1.43 0.00 0.00 31.44 32.78 2ozu n GLU 530 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2ozu n TYR 531 N -2.00 0.00 1.06 -1.84 4.01 -0.94 -4.40 117.16 113.04 2ozu n TYR 531 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.87 2ozu n TYR 531 Cb 0.00 -0.32 0.62 0.00 -0.31 0.00 0.00 39.34 39.33 2ozu n TYR 531 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2ozu n SER 532 N -1.96 0.00 -0.35 7.72 7.64 -1.21 -3.59 113.62 121.87 2ozu n SER 532 Ca -0.02 0.31 0.08 0.00 1.01 0.00 0.00 58.87 60.25 2ozu n SER 532 Cb 0.42 -0.43 0.15 0.00 -1.01 0.00 0.00 64.21 63.34 2ozu n SER 532 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2ozu n ARG 533 N -1.43 1.27 -5.07 1.43 1.74 -1.26 -4.72 116.66 108.62 2ozu n ARG 533 Ca 0.09 -2.74 -0.32 0.00 -0.77 0.00 0.00 57.85 54.10 2ozu n ARG 533 Cb 0.29 -1.43 -0.16 0.00 -1.02 0.00 0.00 32.46 30.14 2ozu n ARG 533 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2ozu s LEU 534 N -2.74 2.25 0.30 0.55 1.98 -1.24 -5.03 118.68 114.76 2ozu s LEU 534 Ca 0.33 -0.51 0.04 0.00 -2.89 0.00 0.00 54.13 51.10 2ozu s LEU 534 Cb 0.30 -1.46 0.48 0.00 0.66 0.00 0.00 46.19 46.17 2ozu s LEU 534 CO -0.02 0.15 1.76 1.55 -1.89 0.00 0.00 176.35 177.91 2ozu h PRO 535 N 6.76 0.43 -5.29 0.98 0.13 -1.91 -3.35 132.00 129.75 2ozu h PRO 535 Ca -0.22 -0.15 -0.54 0.00 -0.87 0.00 0.00 66.00 64.23 2ozu h PRO 535 Cb 1.23 -0.03 -0.31 0.00 0.13 0.00 0.00 31.00 32.02 2ozu h PRO 535 CO 0.50 0.63 -0.83 0.21 -0.23 0.00 0.00 178.00 178.28 2ozu s LYS 536 N -4.53 1.57 0.14 0.86 2.20 -1.26 -0.29 119.74 118.43 2ozu s LYS 536 Ca -0.06 -0.57 0.10 0.00 -0.36 0.00 0.00 55.97 55.08 2ozu s LYS 536 Cb 0.14 -1.41 -0.04 0.00 -1.51 0.00 0.00 37.83 35.01 2ozu s LYS 536 CO 0.78 0.26 -0.21 -0.51 -0.36 0.00 0.00 175.35 175.31 2ozu s LEU 537 N -0.05 2.57 -0.22 5.43 1.43 -0.99 -4.90 118.68 121.95 2ozu s LEU 537 Ca -0.01 -0.67 -0.02 0.00 -1.03 0.00 0.00 54.13 52.39 2ozu s LEU 537 Cb -0.10 -1.39 0.01 0.00 0.03 0.00 0.00 46.19 44.74 2ozu s LEU 537 CO 0.01 0.16 -0.08 -0.31 0.23 0.00 0.00 176.35 176.36 2ozu s TYR 538 N -1.28 2.96 -0.07 0.29 2.02 -0.29 -1.33 117.35 119.66 2ozu s TYR 538 Ca 0.18 -1.30 -0.01 0.00 -0.37 0.00 0.00 57.07 55.57 2ozu s TYR 538 Cb -0.10 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 39.38 2ozu s TYR 538 CO 0.09 -0.67 0.02 -0.51 -1.57 0.00 0.00 175.55 172.92 2ozu s LEU 539 N 1.39 3.65 0.10 -1.29 1.02 -0.77 -0.50 118.68 122.27 2ozu s LEU 539 Ca 0.04 0.14 -0.31 0.00 0.02 0.00 0.00 54.13 54.02 2ozu s LEU 539 Cb -0.15 -1.91 -0.08 0.00 0.02 0.00 0.00 46.19 44.08 2ozu s LEU 539 CO -0.06 0.35 1.41 0.00 0.02 0.00 0.00 176.35 178.07 2ozu h GLU 541 N 7.01 0.00 0.00 0.00 4.11 -1.92 -0.83 114.58 122.95 2ozu h GLU 541 Ca -0.42 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 58.66 2ozu h GLU 541 Cb 1.20 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.39 2ozu h GLU 541 CO 0.87 0.00 -2.34 1.19 0.07 0.00 0.00 179.01 178.81 2ozu n PHE 542 N -2.90 0.00 0.67 2.06 3.72 -1.26 -4.58 117.46 115.16 2ozu n PHE 542 Ca 0.01 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.50 2ozu n PHE 542 Cb 0.31 -0.91 -0.11 0.00 -0.94 0.00 0.00 39.48 37.82 2ozu n PHE 542 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ozu n LEU 544 N -1.60 0.15 -4.74 0.00 4.77 -0.32 -4.72 117.00 110.55 2ozu n LEU 544 Ca 0.02 0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.61 2ozu n LEU 544 Cb 0.33 -1.12 -0.02 0.00 -2.33 0.00 0.00 43.42 40.28 2ozu n LEU 544 CO 0.38 -0.31 1.28 1.17 -1.33 0.00 0.00 177.39 178.58 2ozu n LYS 545 N -2.00 2.73 -3.73 3.23 4.81 -1.26 -4.71 118.16 117.22 2ozu n LYS 545 Ca -0.01 0.97 -0.37 0.00 -0.87 0.00 0.00 58.31 58.03 2ozu n LYS 545 Cb 0.16 -2.77 -0.06 0.00 0.02 0.00 0.00 35.03 32.38 2ozu n LYS 545 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 2ozu s TYR 546 N 0.26 3.58 0.06 5.64 -0.85 -1.26 -1.10 117.35 123.67 2ozu s TYR 546 Ca 0.66 0.60 0.00 0.00 -0.52 0.00 0.00 57.07 57.82 2ozu s TYR 546 Cb -0.50 -2.11 -0.04 0.00 0.38 0.00 0.00 41.96 39.70 2ozu s TYR 546 CO 0.45 0.57 -0.04 -1.64 -1.52 0.00 0.00 175.55 173.37 2ozu s MET 547 N -0.59 0.66 0.00 -3.49 -1.94 0.34 -4.98 119.30 109.29 2ozu s MET 547 Ca 0.16 -1.20 0.24 0.00 -1.71 0.00 0.00 55.69 53.18 2ozu s MET 547 Cb -0.13 0.06 0.32 0.00 2.01 0.00 0.00 34.83 37.09 2ozu s MET 547 CO 0.05 -0.07 1.29 0.36 -0.01 0.00 0.00 175.02 176.63 2ozu n LYS 548 N 0.21 0.83 -3.89 2.03 2.85 -1.26 -1.14 118.16 117.79 2ozu n LYS 548 Ca -0.14 -0.60 -0.10 0.00 -1.05 0.00 0.00 58.31 56.42 2ozu n LYS 548 Cb 0.60 -1.49 -0.06 0.00 -0.65 0.00 0.00 35.03 33.44 2ozu n LYS 548 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2ozu s SER 549 N -2.59 -0.05 0.15 -5.58 1.04 -1.26 -4.84 113.70 100.57 2ozu s SER 549 Ca 0.19 -0.74 -0.14 0.00 0.48 0.00 0.00 55.95 55.74 2ozu s SER 549 Cb 0.18 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.81 2ozu s SER 549 CO 0.60 -0.94 1.69 -0.09 0.98 0.00 0.00 173.24 175.48 2ozu h ARG 550 N 2.44 0.73 -0.52 4.02 9.65 -1.98 -1.84 114.38 126.89 2ozu h ARG 550 Ca -0.31 -0.14 -0.06 0.00 -1.10 0.00 0.00 59.98 58.37 2ozu h ARG 550 Cb 1.24 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.68 2ozu h ARG 550 CO 0.45 0.67 0.07 0.00 2.80 0.00 0.00 179.97 183.96 2ozu h THR 551 N 0.64 1.24 -0.41 0.20 1.03 -1.98 0.97 112.91 114.60 2ozu h THR 551 Ca 0.16 -0.92 -0.08 0.00 -0.01 0.00 0.00 66.41 65.55 2ozu h THR 551 Cb 0.22 0.77 -0.01 0.00 -1.07 0.00 0.00 68.15 68.06 2ozu h THR 551 CO -0.01 0.34 -0.07 0.40 -0.01 0.00 0.00 175.52 176.17 2ozu h ILE 552 N 0.79 1.27 -0.84 0.00 2.04 -1.94 -0.70 117.51 118.13 2ozu h ILE 552 Ca 0.16 -1.14 0.04 0.00 1.00 0.00 0.00 64.86 64.92 2ozu h ILE 552 Cb 0.38 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 2ozu h ILE 552 CO 0.01 0.38 0.54 0.25 0.00 0.00 0.00 178.15 179.33 2ozu h LEU 553 N 0.58 0.88 -0.42 1.44 5.85 -1.05 -1.19 115.31 121.40 2ozu h LEU 553 Ca 0.11 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 2ozu h LEU 553 Cb 0.58 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2ozu h LEU 553 CO 0.03 0.60 -0.07 1.56 -0.34 0.00 0.00 178.44 180.22 2ozu h GLN 554 N 1.03 0.80 -0.72 1.25 4.20 -0.51 0.67 115.11 121.83 2ozu h GLN 554 Ca 0.34 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 2ozu h GLN 554 Cb 0.04 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 2ozu h GLN 554 CO -0.13 0.90 0.44 1.96 -0.67 0.00 0.00 178.83 181.34 2ozu h GLN 555 N 0.62 0.97 -0.20 1.46 4.20 -1.04 -2.99 115.11 118.13 2ozu h GLN 555 Ca 0.11 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 2ozu h GLN 555 Cb 0.59 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2ozu h GLN 555 CO 0.04 0.67 -0.05 1.25 -0.67 0.00 0.00 178.83 180.07 2ozu h HIS 556 N 0.99 0.44 -0.21 2.96 2.76 -0.69 -2.87 115.15 118.53 2ozu h HIS 556 Ca 0.26 -0.10 0.06 0.00 -2.20 0.00 0.00 60.37 58.40 2ozu h HIS 556 Cb -0.06 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 28.79 2ozu h HIS 556 CO 0.00 0.64 0.24 0.52 -1.30 0.00 0.00 177.93 178.04 2ozu h MET 557 N 0.12 0.00 0.00 5.26 2.86 -0.80 0.23 114.93 122.60 2ozu h MET 557 Ca 0.05 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.60 2ozu h MET 557 Cb 0.50 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 2ozu h MET 557 CO 0.02 0.00 -0.42 -0.22 1.06 0.00 0.00 176.91 177.35 2ozu h LYS 558 N 0.00 0.00 0.00 1.72 1.63 -1.36 -3.35 116.57 115.20 2ozu h LYS 558 Ca 0.10 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.85 2ozu h LYS 558 Cb 0.59 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 2ozu h LYS 558 CO -0.00 0.42 -1.59 0.36 -3.45 0.00 0.00 179.45 175.19 2ozu n LYS 559 N -3.42 0.84 -2.09 1.90 2.85 0.45 -4.97 118.16 113.71 2ozu n LYS 559 Ca 0.00 -0.08 -0.42 0.00 -1.05 0.00 0.00 58.31 56.76 2ozu n LYS 559 Cb 0.59 -1.28 -0.03 0.00 -0.65 0.00 0.00 35.03 33.66 2ozu n LYS 559 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ozu n GLY 561 N 3.58 0.37 3.75 0.00 0.00 -1.26 -4.88 105.19 106.75 2ozu n GLY 561 Ca 0.12 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 2ozu n GLY 561 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ozu s TRP 562 N -1.44 3.65 -0.02 1.61 0.52 -1.26 -4.94 118.94 117.07 2ozu s TRP 562 Ca 0.21 1.71 0.02 0.00 0.02 0.00 0.00 56.10 58.06 2ozu s TRP 562 Cb 0.15 -3.24 0.03 0.00 -1.15 0.00 0.00 33.47 29.26 2ozu s TRP 562 CO 0.22 -0.41 0.87 1.97 0.02 0.00 0.00 176.95 179.62 2ozu n PHE 563 N 1.54 0.00 -3.64 -1.98 1.16 -1.26 -4.84 117.46 108.44 2ozu n PHE 563 Ca -0.00 -0.38 -0.03 0.00 -1.87 0.00 0.00 57.45 55.17 2ozu n PHE 563 Cb 0.45 -0.05 -0.01 0.00 -1.61 0.00 0.00 39.48 38.26 2ozu n PHE 563 CO 0.00 0.00 0.00 -3.38 -1.87 0.00 0.00 176.76 171.51 2ozu s HIS 564 N -0.85 -0.15 0.46 2.97 -3.43 -1.26 -0.64 115.29 112.38 2ozu s HIS 564 Ca 0.04 -0.02 -0.24 0.00 -0.80 0.00 0.00 55.06 54.03 2ozu s HIS 564 Cb 0.03 0.58 -0.09 0.00 -1.43 0.00 0.00 32.58 31.67 2ozu s HIS 564 CO 0.00 -0.53 1.17 -2.30 -2.00 0.00 0.00 174.74 171.09 2ozu n PRO 565 N -0.37 1.62 -1.96 -0.38 -0.02 -1.26 -4.87 135.00 127.75 2ozu n PRO 565 Ca -0.06 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.59 2ozu n PRO 565 Cb 0.61 -2.29 -0.01 0.00 -0.02 0.00 0.00 33.50 31.79 2ozu n PRO 565 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2ozu n PRO 566 N -0.20 2.67 -3.72 0.52 -0.04 -1.26 -4.81 135.00 128.15 2ozu n PRO 566 Ca 0.09 -2.71 -0.03 0.00 -0.04 0.00 0.00 63.50 60.80 2ozu n PRO 566 Cb 0.41 -3.35 -0.01 0.00 -0.04 0.00 0.00 33.50 30.51 2ozu n PRO 566 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ozu s ALA 567 N 4.51 -1.72 0.26 0.55 0.00 -1.26 -4.84 121.76 119.26 2ozu s ALA 567 Ca 0.53 0.25 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 2ozu s ALA 567 Cb 0.09 0.60 -0.09 0.00 0.00 0.00 0.00 23.12 23.72 2ozu s ALA 567 CO 0.02 -1.01 1.28 -0.80 0.00 0.00 0.00 175.76 175.24 2ozu s ASN 568 N -2.90 6.91 -0.29 0.00 0.01 -1.26 -4.88 114.94 112.53 2ozu s ASN 568 Ca 0.12 2.48 -0.29 0.00 -0.71 0.00 0.00 52.86 54.46 2ozu s ASN 568 Cb -0.01 -2.63 0.01 0.00 0.41 0.00 0.00 41.25 39.04 2ozu s ASN 568 CO 0.01 -0.47 1.08 -0.70 -1.51 0.00 0.00 177.10 175.51 2ozu s GLU 569 N -0.91 4.12 0.00 -0.60 2.12 -1.26 -1.64 118.70 120.53 2ozu s GLU 569 Ca 0.52 1.17 0.17 0.00 0.36 0.00 0.00 54.97 57.19 2ozu s GLU 569 Cb -0.37 -3.72 -0.09 0.00 0.26 0.00 0.00 34.13 30.21 2ozu s GLU 569 CO 0.44 -0.83 0.79 0.44 -0.54 0.00 0.00 175.26 175.55 2ozu n ILE 570 N 5.72 0.00 -3.74 -3.70 -5.35 -0.04 -4.89 119.36 107.36 2ozu n ILE 570 Ca 0.12 -0.22 -0.12 0.00 -0.27 0.00 0.00 62.75 62.26 2ozu n ILE 570 Cb 0.47 1.10 -0.11 0.00 -1.74 0.00 0.00 39.64 39.35 2ozu n ILE 570 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2ozu s TYR 571 N -2.27 -0.41 -0.17 4.28 5.04 -1.08 0.15 117.35 122.89 2ozu s TYR 571 Ca 0.10 0.96 -0.09 0.00 -2.44 0.00 0.00 57.07 55.60 2ozu s TYR 571 Cb 0.13 0.14 0.06 0.00 0.35 0.00 0.00 41.96 42.64 2ozu s TYR 571 CO 0.55 -0.22 0.41 0.50 -1.34 0.00 0.00 175.55 175.44 2ozu s ARG 572 N 0.66 0.38 -0.13 4.97 3.52 -1.22 -1.11 118.95 126.02 2ozu s ARG 572 Ca -0.04 0.81 -0.04 0.00 -0.13 0.00 0.00 55.73 56.33 2ozu s ARG 572 Cb -0.05 0.01 0.06 0.00 -1.56 0.00 0.00 34.95 33.41 2ozu s ARG 572 CO -0.04 -0.17 0.20 0.21 -0.81 0.00 0.00 175.30 174.69 2ozu s LYS 573 N 1.54 0.10 6.75 5.12 2.20 -0.44 -4.86 119.74 130.15 2ozu s LYS 573 Ca -0.09 0.50 0.00 0.00 -0.36 0.00 0.00 55.97 56.02 2ozu s LYS 573 Cb -0.09 -0.49 0.00 0.00 -1.51 0.00 0.00 37.83 35.74 2ozu s LYS 573 CO -0.13 -0.40 0.00 0.09 -0.36 0.00 0.00 175.35 174.55 2ozu n ASN 574 N 5.33 0.00 -1.70 1.43 3.02 -1.26 -2.15 115.26 119.92 2ozu n ASN 574 Ca -0.05 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.57 2ozu n ASN 574 Cb 0.50 0.00 0.36 0.00 -0.61 0.00 0.00 39.78 40.03 2ozu n ASN 574 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2ozu n ASN 575 N 7.84 5.10 -4.19 6.41 6.94 -1.26 -4.91 115.26 131.18 2ozu n ASN 575 Ca 0.00 -2.73 -0.31 0.00 -0.02 0.00 0.00 54.58 51.52 2ozu n ASN 575 Cb 0.00 -0.64 -0.17 0.00 -2.36 0.00 0.00 39.78 36.61 2ozu n ASN 575 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2ozu s ILE 576 N -2.40 1.90 0.16 1.53 -1.09 -0.91 0.26 121.20 120.64 2ozu s ILE 576 Ca 0.49 -0.93 0.08 0.00 -2.23 0.00 0.00 60.65 58.06 2ozu s ILE 576 Cb 0.36 -1.64 -0.04 0.00 -1.58 0.00 0.00 42.46 39.56 2ozu s ILE 576 CO 0.17 0.53 -0.17 -0.44 -1.23 0.00 0.00 174.94 173.79 2ozu s SER 577 N 0.31 2.52 -0.10 3.58 0.01 -0.48 -1.33 113.70 118.20 2ozu s SER 577 Ca -0.16 -0.86 0.01 0.00 1.31 0.00 0.00 55.95 56.26 2ozu s SER 577 Cb -0.17 -0.14 0.02 0.00 0.21 0.00 0.00 66.02 65.94 2ozu s SER 577 CO 0.07 -0.07 -0.13 -0.69 0.41 0.00 0.00 173.24 172.83 2ozu s VAL 578 N -2.13 1.35 -0.13 3.43 1.01 -0.27 -1.34 120.40 122.32 2ozu s VAL 578 Ca 0.15 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 2ozu s VAL 578 Cb -0.05 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 2ozu s VAL 578 CO 0.06 0.41 0.10 -0.36 0.00 0.00 0.00 175.10 175.31 2ozu s PHE 579 N 1.09 3.44 -0.45 5.22 0.08 0.11 -0.86 117.98 126.61 2ozu s PHE 579 Ca -0.05 0.37 -0.15 0.00 0.12 0.00 0.00 56.93 57.22 2ozu s PHE 579 Cb -0.14 -1.95 0.06 0.00 -0.57 0.00 0.00 43.02 40.41 2ozu s PHE 579 CO -0.02 0.55 0.36 -2.00 -0.10 0.00 0.00 175.22 174.00 2ozu s GLU 580 N -0.65 2.95 -0.17 0.44 2.12 -0.65 -0.46 118.70 122.27 2ozu s GLU 580 Ca 0.12 -1.27 -0.07 0.00 0.36 0.00 0.00 54.97 54.11 2ozu s GLU 580 Cb -0.12 -4.06 -0.04 0.00 0.26 0.00 0.00 34.13 30.18 2ozu s GLU 580 CO 0.02 -0.95 0.05 0.08 -0.54 0.00 0.00 175.26 173.93 2ozu s VAL 581 N 1.63 4.68 -0.30 3.70 1.01 0.14 -4.04 120.40 127.23 2ozu s VAL 581 Ca 0.04 -0.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.81 2ozu s VAL 581 Cb -0.23 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 2ozu s VAL 581 CO 0.07 0.47 0.32 -0.62 0.00 0.00 0.00 175.10 175.35 2ozu s ASP 582 N 0.29 6.17 0.64 3.32 -1.08 -1.26 0.82 116.67 125.57 2ozu s ASP 582 Ca 0.03 0.03 0.39 0.00 -0.52 0.00 0.00 52.55 52.48 2ozu s ASP 582 Cb -0.12 -2.18 2.19 0.00 -1.46 0.00 0.00 42.92 41.34 2ozu s ASP 582 CO 0.01 -0.21 2.32 1.23 0.52 0.00 0.00 175.17 179.04 2ozu h GLY 583 N 8.60 0.00 2.00 2.66 0.00 -1.45 0.04 103.07 114.92 2ozu h GLY 583 Ca -0.32 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 2ozu h GLY 583 CO 0.64 0.00 -0.31 -0.57 0.00 0.00 0.00 176.54 176.30 2ozu h ASN 584 N 0.00 0.00 0.00 0.19 -1.24 -1.75 -3.29 115.58 109.49 2ozu h ASN 584 Ca 0.00 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 56.83 2ozu h ASN 584 Cb 0.03 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.05 2ozu h ASN 584 CO -0.00 0.31 -1.58 0.52 -1.29 0.00 0.00 177.43 175.39 2ozu n VAL 585 N -3.37 1.46 -2.72 2.57 0.31 -0.31 -4.70 118.33 111.57 2ozu n VAL 585 Ca 0.01 -0.06 -0.42 0.00 -0.01 0.00 0.00 64.34 63.86 2ozu n VAL 585 Cb 0.52 -2.11 0.02 0.00 -0.91 0.00 0.00 33.84 31.35 2ozu n VAL 585 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2ozu n SER 586 N -4.30 7.13 -0.02 4.52 7.64 -0.15 -4.83 113.62 123.60 2ozu n SER 586 Ca -0.29 -3.61 -0.12 0.00 1.01 0.00 0.00 58.87 55.86 2ozu n SER 586 Cb 0.65 -1.20 -0.07 0.00 -1.01 0.00 0.00 64.21 62.58 2ozu n SER 586 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2ozu h THR 587 N 2.54 1.21 0.01 0.44 2.02 -1.79 -1.18 112.91 116.16 2ozu h THR 587 Ca 0.45 -0.65 0.01 0.00 0.77 0.00 0.00 66.41 66.99 2ozu h THR 587 Cb 0.40 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 2ozu h THR 587 CO 1.23 0.19 -0.04 0.40 0.37 0.00 0.00 175.52 177.66 2ozu h ILE 588 N -0.07 0.90 -0.52 3.11 1.08 -1.89 0.19 117.51 120.31 2ozu h ILE 588 Ca 0.03 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.57 2ozu h ILE 588 Cb 0.27 0.90 -0.06 0.00 -3.07 0.00 0.00 36.82 34.86 2ozu h ILE 588 CO 0.00 0.00 0.21 0.22 -0.69 0.00 0.00 178.15 177.89 2ozu h TYR 589 N -0.08 0.37 -0.28 1.37 3.20 -1.83 0.93 116.97 120.65 2ozu h TYR 589 Ca 0.01 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.80 2ozu h TYR 589 Cb 0.09 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 2ozu h TYR 589 CO -0.11 0.13 -0.29 0.00 -1.64 0.00 0.00 178.16 176.26 2ozu h GLN 591 N 0.49 1.15 -0.58 0.00 4.20 -0.23 -1.17 115.11 118.98 2ozu h GLN 591 Ca 0.06 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.47 2ozu h GLN 591 Cb 0.75 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 2ozu h GLN 591 CO 0.06 0.96 0.07 -0.91 -0.67 0.00 0.00 178.83 178.34 2ozu h ASN 592 N 1.11 0.90 -0.56 1.46 2.35 -0.56 -2.12 115.58 118.16 2ozu h ASN 592 Ca 0.25 -0.21 -0.08 0.00 -0.55 0.00 0.00 56.30 55.71 2ozu h ASN 592 Cb 0.26 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 2ozu h ASN 592 CO -0.01 0.91 0.02 0.25 -1.65 0.00 0.00 177.43 176.95 2ozu h LEU 593 N 0.88 0.95 -0.82 1.61 5.85 -1.07 -1.84 115.31 120.87 2ozu h LEU 593 Ca 0.18 -0.30 -0.08 0.00 0.84 0.00 0.00 57.88 58.52 2ozu h LEU 593 Cb 0.42 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2ozu h LEU 593 CO 0.01 1.01 -0.01 0.00 -0.34 0.00 0.00 178.44 179.12 2ozu h LEU 595 N 0.81 0.93 -0.17 0.00 3.38 -1.29 -1.39 115.31 117.58 2ozu h LEU 595 Ca 0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2ozu h LEU 595 Cb 0.49 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2ozu h LEU 595 CO 0.02 0.91 0.07 0.25 0.09 0.00 0.00 178.44 179.78 2ozu h LEU 596 N 0.92 0.24 -1.16 1.67 5.85 -1.23 -3.15 115.31 118.44 2ozu h LEU 596 Ca 0.20 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.78 2ozu h LEU 596 Cb 0.32 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 2ozu h LEU 596 CO -0.00 0.33 0.57 0.00 -0.34 0.00 0.00 178.44 179.00 2ozu h ALA 597 N 0.92 1.41 0.00 1.25 0.00 -0.78 -2.10 119.26 119.96 2ozu h ALA 597 Ca 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2ozu h ALA 597 Cb 0.16 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2ozu h ALA 597 CO -0.01 0.52 -0.04 -0.22 0.00 0.00 0.00 179.25 179.51 2ozu h LYS 598 N 1.13 0.00 0.00 0.00 1.63 -1.22 -0.60 116.57 117.52 2ozu h LYS 598 Ca 0.33 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.13 2ozu h LYS 598 Cb -0.07 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 2ozu h LYS 598 CO -0.08 0.04 0.00 1.28 -3.45 0.00 0.00 179.45 177.24 2ozu n LEU 599 N -3.25 0.21 -0.18 5.20 4.77 -0.79 -2.68 117.00 120.28 2ozu n LEU 599 Ca -0.01 0.57 0.03 0.00 -0.03 0.00 0.00 56.01 56.57 2ozu n LEU 599 Cb 0.22 -0.57 0.04 0.00 -2.33 0.00 0.00 43.42 40.78 2ozu n LEU 599 CO 0.26 -0.51 0.40 0.49 -1.33 0.00 0.00 177.39 176.70 2ozu n PHE 600 N -1.75 0.00 -4.57 -1.77 3.72 -0.25 -0.58 117.46 112.25 2ozu n PHE 600 Ca 0.01 -0.40 -0.22 0.00 -0.05 0.00 0.00 57.45 56.79 2ozu n PHE 600 Cb 0.10 -0.07 -0.15 0.00 -0.94 0.00 0.00 39.48 38.41 2ozu n PHE 600 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2ozu s LEU 601 N -1.08 1.90 0.23 4.37 1.43 -1.08 -4.98 118.68 119.47 2ozu s LEU 601 Ca 0.10 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 2ozu s LEU 601 Cb 0.09 -0.70 0.24 0.00 0.03 0.00 0.00 46.19 45.85 2ozu s LEU 601 CO 0.01 0.12 1.58 -0.78 0.23 0.00 0.00 176.35 177.51 2ozu h ASP 602 N 6.16 0.44 -5.83 2.29 3.58 -1.93 -3.45 116.42 117.67 2ozu h ASP 602 Ca -0.33 -0.22 -0.42 0.00 0.42 0.00 0.00 57.03 56.48 2ozu h ASP 602 Cb 1.17 -0.12 -0.13 0.00 1.72 0.00 0.00 39.33 41.96 2ozu h ASP 602 CO 0.49 0.87 -0.48 -2.28 -2.88 0.00 0.00 179.24 174.95 2ozu s HIS 603 N -4.00 1.62 0.37 0.28 2.46 -1.26 -5.08 115.29 109.67 2ozu s HIS 603 Ca -0.06 -1.59 -0.20 0.00 0.47 0.00 0.00 55.06 53.67 2ozu s HIS 603 Cb 0.12 -0.64 -0.10 0.00 -0.13 0.00 0.00 32.58 31.83 2ozu s HIS 603 CO 0.81 -0.86 0.88 0.95 -2.47 0.00 0.00 174.74 174.05 2ozu s THR 605 N -3.52 4.44 0.33 0.89 -4.23 -1.26 -5.04 115.64 107.25 2ozu s THR 605 Ca 0.40 1.41 -0.28 0.00 -1.18 0.00 0.00 61.69 62.04 2ozu s THR 605 Cb 0.03 -3.70 -0.12 0.00 1.34 0.00 0.00 72.50 70.05 2ozu s THR 605 CO 0.25 -0.16 1.32 -0.11 -0.54 0.00 0.00 174.62 175.37 2ozu n LEU 606 N -0.25 3.57 0.24 4.79 7.94 -1.26 -4.82 117.00 127.21 2ozu n LEU 606 Ca 0.05 1.20 0.16 0.00 -1.11 0.00 0.00 56.01 56.31 2ozu n LEU 606 Cb 0.53 -1.49 0.72 0.00 0.53 0.00 0.00 43.42 43.71 2ozu n LEU 606 CO 0.40 -0.44 0.98 0.10 -1.11 0.00 0.00 177.39 177.31 2ozu h TYR 607 N 2.80 0.00 -0.59 1.96 -0.00 -1.94 -2.99 116.97 116.21 2ozu h TYR 607 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.27 2ozu h TYR 607 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.01 2ozu h TYR 607 CO 0.52 0.00 0.00 2.48 -0.00 0.00 0.00 178.16 181.16 2ozu n TYR 608 N -2.81 1.18 -3.63 0.10 0.18 -1.26 -4.47 117.16 106.45 2ozu n TYR 608 Ca 0.00 -0.59 -0.37 0.00 1.88 0.00 0.00 57.90 58.82 2ozu n TYR 608 Cb 0.23 -0.16 -0.07 0.00 -0.38 0.00 0.00 39.34 38.96 2ozu n TYR 608 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2ozu s ASP 609 N -1.03 5.92 -0.02 9.48 2.15 -1.13 -4.83 116.67 127.21 2ozu s ASP 609 Ca 0.46 -3.53 0.14 0.00 0.43 0.00 0.00 52.55 50.05 2ozu s ASP 609 Cb 0.28 -1.92 -0.21 0.00 -0.30 0.00 0.00 42.92 40.78 2ozu s ASP 609 CO 0.24 -0.23 0.30 1.33 -0.17 0.00 0.00 175.17 176.63 2ozu n VAL 610 N 2.61 0.00 -0.32 1.11 0.24 -1.26 -4.56 118.33 116.14 2ozu n VAL 610 Ca 0.19 -0.31 0.18 0.00 -2.04 0.00 0.00 64.34 62.36 2ozu n VAL 610 Cb 0.38 0.20 0.38 0.00 -1.47 0.00 0.00 33.84 33.33 2ozu n VAL 610 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2ozu h GLU 611 N 0.00 0.27 0.00 7.34 4.81 -1.88 -1.53 114.58 123.58 2ozu h GLU 611 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2ozu h GLU 611 Cb 0.61 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2ozu h GLU 611 CO 0.00 0.18 0.00 -2.30 -0.73 0.00 0.00 179.01 176.16 2ozu n PRO 612 N -5.14 0.29 -4.36 0.92 -0.02 -1.26 -3.92 135.00 121.52 2ozu n PRO 612 Ca 0.26 0.10 -0.29 0.00 -2.02 0.00 0.00 63.50 61.56 2ozu n PRO 612 Cb 0.83 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.69 2ozu n PRO 612 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2ozu s PHE 613 N -2.42 2.41 -0.05 6.00 0.08 -0.58 -0.89 117.98 122.54 2ozu s PHE 613 Ca 0.17 -0.32 -0.02 0.00 0.12 0.00 0.00 56.93 56.87 2ozu s PHE 613 Cb 0.10 -1.27 -0.04 0.00 -0.57 0.00 0.00 43.02 41.25 2ozu s PHE 613 CO 0.22 0.39 0.07 -0.51 -0.10 0.00 0.00 175.22 175.29 2ozu s LEU 614 N -2.24 3.90 -0.22 -0.37 1.43 0.61 -1.65 118.68 120.15 2ozu s LEU 614 Ca 0.17 0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.47 2ozu s LEU 614 Cb -0.10 -2.10 0.02 0.00 0.03 0.00 0.00 46.19 44.04 2ozu s LEU 614 CO 0.09 0.33 -0.11 -0.36 0.23 0.00 0.00 176.35 176.53 2ozu s PHE 615 N -1.07 2.94 -0.53 0.29 0.08 0.24 -0.99 117.98 118.94 2ozu s PHE 615 Ca 0.18 -1.45 -0.16 0.00 0.12 0.00 0.00 56.93 55.63 2ozu s PHE 615 Cb -0.12 -2.01 0.12 0.00 -0.57 0.00 0.00 43.02 40.43 2ozu s PHE 615 CO 0.09 -0.71 0.49 0.71 -0.10 0.00 0.00 175.22 175.69 2ozu s TYR 616 N 1.35 3.24 -0.25 0.36 2.02 0.08 0.23 117.35 124.37 2ozu s TYR 616 Ca 0.03 -1.19 -0.13 0.00 -0.37 0.00 0.00 57.07 55.40 2ozu s TYR 616 Cb -0.15 -3.67 -0.04 0.00 -0.40 0.00 0.00 41.96 37.70 2ozu s TYR 616 CO -0.07 -0.98 0.30 0.08 -1.57 0.00 0.00 175.55 173.30 2ozu s VAL 617 N 1.66 5.24 -0.04 0.71 1.01 0.39 -2.09 120.40 127.28 2ozu s VAL 617 Ca 0.04 0.44 -0.22 0.00 0.00 0.00 0.00 61.98 62.24 2ozu s VAL 617 Cb -0.28 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 2ozu s VAL 617 CO 0.04 0.23 0.63 -0.22 0.00 0.00 0.00 175.10 175.78 2ozu s LEU 618 N 1.66 4.36 0.03 3.92 2.96 0.50 -0.71 118.68 131.40 2ozu s LEU 618 Ca 0.13 1.14 0.04 0.00 -0.22 0.00 0.00 54.13 55.21 2ozu s LEU 618 Cb -0.15 -2.97 -0.02 0.00 0.50 0.00 0.00 46.19 43.55 2ozu s LEU 618 CO 0.09 0.00 -0.11 0.42 -1.32 0.00 0.00 176.35 175.43 2ozu s THR 619 N 0.29 0.84 -0.21 3.68 -4.23 -0.45 -0.49 115.64 115.07 2ozu s THR 619 Ca 0.33 -0.82 -0.06 0.00 -1.18 0.00 0.00 61.69 59.96 2ozu s THR 619 Cb -0.18 -0.77 -0.03 0.00 1.34 0.00 0.00 72.50 72.86 2ozu s THR 619 CO 0.17 -0.03 0.03 -1.58 -0.54 0.00 0.00 174.62 172.67 2ozu s GLN 620 N -0.95 3.69 -0.04 3.99 0.74 -0.11 -1.39 119.66 125.59 2ozu s GLN 620 Ca -0.01 -0.48 -0.00 0.00 0.05 0.00 0.00 55.36 54.93 2ozu s GLN 620 Cb -0.07 -3.17 -0.03 0.00 1.10 0.00 0.00 33.01 30.83 2ozu s GLN 620 CO 0.01 0.00 0.01 -0.80 -0.55 0.00 0.00 175.29 173.96 2ozu s ASN 621 N 1.06 5.21 0.00 6.67 0.01 0.14 -1.09 114.94 126.94 2ozu s ASN 621 Ca 0.03 0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.26 2ozu s ASN 621 Cb -0.14 -1.42 0.00 0.00 0.41 0.00 0.00 41.25 40.10 2ozu s ASN 621 CO 0.02 0.33 0.00 -0.90 -1.51 0.00 0.00 177.10 175.04 2ozu n ASP 622 N 1.74 0.00 0.24 -1.22 5.68 -0.57 -4.82 116.55 117.60 2ozu n ASP 622 Ca -0.16 -0.33 0.16 0.00 -0.50 0.00 0.00 54.79 53.95 2ozu n ASP 622 Cb 0.53 0.00 0.66 0.00 -1.14 0.00 0.00 41.12 41.17 2ozu n ASP 622 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 2ozu h VAL 623 N 0.33 0.00 -0.01 2.12 3.04 -2.04 -1.99 116.25 117.71 2ozu h VAL 623 Ca 0.00 -0.41 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 2ozu h VAL 623 Cb 0.00 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.61 2ozu h VAL 623 CO 0.00 0.00 -0.17 0.29 -1.01 0.00 0.00 177.57 176.68 2ozu n LYS 624 N -2.85 1.19 0.00 4.17 5.02 -1.26 -5.06 118.16 119.38 2ozu n LYS 624 Ca 0.01 -0.73 0.00 0.00 -2.02 0.00 0.00 58.31 55.57 2ozu n LYS 624 Cb 0.27 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 2ozu n LYS 624 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ozu n GLY 625 N 1.29 0.42 3.41 0.72 0.00 -0.75 -4.99 105.19 105.29 2ozu n GLY 625 Ca 0.14 -2.21 -0.44 0.00 0.00 0.00 0.00 46.02 43.51 2ozu n GLY 625 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ozu s HIS 627 N 1.88 3.40 0.11 0.00 4.02 -0.25 -4.47 115.29 119.98 2ozu s HIS 627 Ca 0.07 0.96 -0.31 0.00 1.02 0.00 0.00 55.06 56.80 2ozu s HIS 627 Cb -0.23 -2.79 -0.10 0.00 -1.02 0.00 0.00 32.58 28.45 2ozu s HIS 627 CO 0.08 -0.13 1.87 -1.17 1.02 0.00 0.00 174.74 176.41 2ozu s LEU 628 N 1.74 4.41 -0.24 0.89 0.20 -1.26 -0.94 118.68 123.48 2ozu s LEU 628 Ca 0.29 2.75 -0.01 0.00 0.69 0.00 0.00 54.13 57.85 2ozu s LEU 628 Cb -0.16 -3.56 -0.14 0.00 -0.43 0.00 0.00 46.19 41.90 2ozu s LEU 628 CO 0.11 -1.02 -0.23 0.52 -0.29 0.00 0.00 176.35 175.44 2ozu n VAL 629 N 4.92 1.34 -3.15 1.68 0.31 0.36 -4.89 118.33 118.89 2ozu n VAL 629 Ca 0.18 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 2ozu n VAL 629 Cb 0.39 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 2ozu n VAL 629 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ozu n GLY 630 N 2.20 -1.05 3.50 2.92 0.00 -1.20 -1.17 105.19 110.39 2ozu n GLY 630 Ca -0.43 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.69 2ozu n GLY 630 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ozu s TYR 631 N -3.00 -0.41 -0.00 1.61 -0.85 -0.56 -0.37 117.35 113.77 2ozu s TYR 631 Ca 0.00 0.21 0.05 0.00 -0.52 0.00 0.00 57.07 56.81 2ozu s TYR 631 Cb 0.00 0.56 -0.01 0.00 0.38 0.00 0.00 41.96 42.89 2ozu s TYR 631 CO 0.00 -0.73 -0.14 -0.59 -1.52 0.00 0.00 175.55 172.56 2ozu s PHE 632 N -3.45 1.28 0.35 -3.49 -0.12 -0.89 -1.73 117.98 109.94 2ozu s PHE 632 Ca 0.04 -0.26 0.02 0.00 -0.05 0.00 0.00 56.93 56.69 2ozu s PHE 632 Cb -0.01 -0.82 -0.02 0.00 -0.63 0.00 0.00 43.02 41.54 2ozu s PHE 632 CO -0.09 -0.01 0.53 -1.54 -0.05 0.00 0.00 175.22 174.06 2ozu s SER 633 N -0.44 6.11 -0.24 1.98 1.04 0.82 -0.74 113.70 122.23 2ozu s SER 633 Ca 0.05 0.22 -0.09 0.00 0.48 0.00 0.00 55.95 56.60 2ozu s SER 633 Cb -0.06 -1.71 0.10 0.00 0.10 0.00 0.00 66.02 64.45 2ozu s SER 633 CO -0.00 -0.39 0.53 -0.75 0.98 0.00 0.00 173.24 173.60 2ozu s LYS 634 N -4.30 0.47 0.09 4.02 2.20 -0.17 -1.26 119.74 120.79 2ozu s LYS 634 Ca 0.42 1.15 -0.31 0.00 -0.36 0.00 0.00 55.97 56.87 2ozu s LYS 634 Cb -0.10 0.41 -0.08 0.00 -1.51 0.00 0.00 37.83 36.55 2ozu s LYS 634 CO 0.34 -0.21 1.56 -1.21 -0.36 0.00 0.00 175.35 175.47 2ozu s GLU 635 N 2.37 4.23 0.21 4.03 2.02 -1.26 -0.28 118.70 130.01 2ozu s GLU 635 Ca -0.05 2.25 -0.09 0.00 0.02 0.00 0.00 54.97 57.10 2ozu s GLU 635 Cb -0.10 -3.42 0.25 0.00 0.10 0.00 0.00 34.13 30.96 2ozu s GLU 635 CO -0.16 -0.63 1.79 0.87 0.02 0.00 0.00 175.26 177.15 2ozu h LYS 636 N 7.61 0.60 -4.08 1.61 1.57 -1.35 -3.40 116.57 119.13 2ozu h LYS 636 Ca -0.42 -0.04 -0.56 0.00 -1.87 0.00 0.00 60.65 57.76 2ozu h LYS 636 Cb 1.20 -0.14 -0.38 0.00 0.08 0.00 0.00 32.23 32.99 2ozu h LYS 636 CO 0.91 0.40 -0.78 -1.01 -0.57 0.00 0.00 179.45 178.39 2ozu s HIS 637 N -6.09 1.76 -0.18 -1.35 3.76 -1.26 -5.09 115.29 106.84 2ozu s HIS 637 Ca -0.13 -1.24 -0.04 0.00 -0.15 0.00 0.00 55.06 53.50 2ozu s HIS 637 Cb 0.16 -1.33 0.08 0.00 1.11 0.00 0.00 32.58 32.60 2ozu s HIS 637 CO 0.76 -0.66 0.18 0.00 -0.85 0.00 0.00 174.74 174.16 2ozu h GLN 639 N 8.35 0.00 0.00 0.00 4.20 -1.98 -2.41 115.11 123.26 2ozu h GLN 639 Ca -0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.55 2ozu h GLN 639 Cb 1.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.93 2ozu h GLN 639 CO 0.26 0.54 0.00 1.04 -0.67 0.00 0.00 178.83 180.00 2ozu n GLN 640 N -3.70 0.34 -3.83 1.46 1.13 -1.26 -4.92 117.38 106.59 2ozu n GLN 640 Ca -0.01 0.08 -0.28 0.00 -1.94 0.00 0.00 57.00 54.85 2ozu n GLN 640 Cb 0.59 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.47 2ozu n GLN 640 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2ozu n LYS 641 N -1.25 -5.95 -2.66 -1.09 5.02 -0.91 -4.91 118.16 106.41 2ozu n LYS 641 Ca 0.10 0.65 -0.43 0.00 -2.02 0.00 0.00 58.31 56.61 2ozu n LYS 641 Cb 0.15 -5.54 -0.02 0.00 -0.02 0.00 0.00 35.03 29.60 2ozu n LYS 641 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2ozu s TYR 642 N -3.34 3.44 -2.62 2.13 2.02 -1.26 -3.16 117.35 114.56 2ozu s TYR 642 Ca 0.58 1.53 0.27 0.00 -0.37 0.00 0.00 57.07 59.08 2ozu s TYR 642 Cb -0.29 -3.23 0.79 0.00 -0.40 0.00 0.00 41.96 38.83 2ozu s TYR 642 CO 0.81 -0.39 1.60 0.27 -1.57 0.00 0.00 175.55 176.26 2ozu n ASN 643 N 5.33 1.91 -3.73 2.29 6.94 0.12 -4.64 115.26 123.49 2ozu n ASN 643 Ca 0.10 -1.63 -0.12 0.00 -0.02 0.00 0.00 54.58 52.91 2ozu n ASN 643 Cb 0.48 0.01 -0.12 0.00 -2.36 0.00 0.00 39.78 37.79 2ozu n ASN 643 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2ozu s VAL 644 N -2.02 -0.02 -0.24 3.53 1.01 -1.26 -4.82 120.40 116.58 2ozu s VAL 644 Ca 0.35 0.08 -0.14 0.00 0.00 0.00 0.00 61.98 62.27 2ozu s VAL 644 Cb 0.21 -0.49 -0.16 0.00 0.00 0.00 0.00 36.38 35.94 2ozu s VAL 644 CO 0.33 0.03 -0.12 -1.54 0.00 0.00 0.00 175.10 173.80 2ozu n SER 645 N 3.82 1.95 -4.07 3.32 3.41 -0.39 -1.01 113.62 120.65 2ozu n SER 645 Ca -0.21 0.29 -0.13 0.00 -0.26 0.00 0.00 58.87 58.56 2ozu n SER 645 Cb 0.55 -0.81 -0.11 0.00 -0.26 0.00 0.00 64.21 63.58 2ozu n SER 645 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ozu s ILE 647 N -1.37 -0.01 -0.21 0.00 2.07 -1.26 -0.13 121.20 120.29 2ozu s ILE 647 Ca -0.10 0.03 -0.09 0.00 -1.41 0.00 0.00 60.65 59.08 2ozu s ILE 647 Cb -0.10 -0.23 0.08 0.00 0.13 0.00 0.00 42.46 42.34 2ozu s ILE 647 CO 0.00 0.01 0.47 -0.32 -1.91 0.00 0.00 174.94 173.20 2ozu s MET 648 N 0.27 0.42 -0.16 3.50 1.75 -0.70 -5.02 119.30 119.35 2ozu s MET 648 Ca -0.02 1.03 -0.04 0.00 -1.25 0.00 0.00 55.69 55.41 2ozu s MET 648 Cb -0.03 0.26 -0.03 0.00 2.84 0.00 0.00 34.83 37.87 2ozu s MET 648 CO -0.01 -0.20 -0.02 0.42 -0.65 0.00 0.00 175.02 174.55 2ozu s ILE 649 N 2.14 4.01 0.33 10.11 -1.09 -1.26 -1.49 121.20 133.95 2ozu s ILE 649 Ca -0.06 -0.31 -0.29 0.00 -2.23 0.00 0.00 60.65 57.76 2ozu s ILE 649 Cb -0.10 -2.77 -0.11 0.00 -1.58 0.00 0.00 42.46 37.90 2ozu s ILE 649 CO -0.14 0.49 1.55 -0.76 -1.23 0.00 0.00 174.94 174.85 2ozu s LEU 650 N 0.35 4.33 0.28 2.97 1.02 -0.32 -4.75 118.68 122.56 2ozu s LEU 650 Ca -0.03 3.00 -0.02 0.00 0.02 0.00 0.00 54.13 57.10 2ozu s LEU 650 Cb -0.14 -3.65 0.61 0.00 0.02 0.00 0.00 46.19 43.03 2ozu s LEU 650 CO 0.03 -0.90 1.62 -0.65 0.02 0.00 0.00 176.35 176.46 2ozu h PRO 651 N 4.02 0.11 0.00 1.29 0.11 -1.95 0.62 132.00 136.19 2ozu h PRO 651 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2ozu h PRO 651 Cb 1.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2ozu h PRO 651 CO 0.73 0.07 0.00 0.00 -0.21 0.00 0.00 178.00 178.59 2ozu n GLN 652 N -5.35 0.09 0.00 1.05 0.00 -1.26 -1.33 117.38 110.58 2ozu n GLN 652 Ca 0.19 0.59 0.03 0.00 0.00 0.00 0.00 57.00 57.80 2ozu n GLN 652 Cb 0.62 -1.80 0.02 0.00 0.00 0.00 0.00 30.24 29.07 2ozu n GLN 652 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2ozu n TYR 653 N -2.00 0.00 -1.87 2.61 4.01 0.18 -5.07 117.16 115.02 2ozu n TYR 653 Ca -0.01 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.39 2ozu n TYR 653 Cb 0.03 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.10 2ozu n TYR 653 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2ozu s GLN 654 N -0.55 2.85 -1.31 -0.72 -0.21 -0.45 -3.65 119.66 115.63 2ozu s GLN 654 Ca 0.06 1.60 -0.02 0.00 0.02 0.00 0.00 55.36 57.02 2ozu s GLN 654 Cb 0.05 -1.94 0.00 0.00 1.00 0.00 0.00 33.01 32.12 2ozu s GLN 654 CO 0.08 -1.25 0.23 0.54 -2.12 0.00 0.00 175.29 172.77 2ozu n ARG 655 N -2.04 -2.53 0.00 2.91 5.12 -1.26 -4.88 116.66 113.99 2ozu n ARG 655 Ca 0.12 0.75 0.00 0.00 -1.93 0.00 0.00 57.85 56.79 2ozu n ARG 655 Cb 0.51 -5.18 0.00 0.00 -1.16 0.00 0.00 32.46 26.63 2ozu n ARG 655 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2ozu n LYS 656 N -2.92 -0.74 0.00 5.56 5.02 -1.24 -4.99 118.16 118.84 2ozu n LYS 656 Ca -0.14 -0.46 0.00 0.00 -2.02 0.00 0.00 58.31 55.69 2ozu n LYS 656 Cb 0.62 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 34.70 2ozu n LYS 656 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ozu n GLY 657 N -0.01 0.69 0.25 0.72 0.00 -1.26 -4.80 105.19 100.78 2ozu n GLY 657 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2ozu n GLY 657 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2ozu h TYR 658 N 0.00 0.91 -0.22 1.61 0.05 -1.92 -2.32 116.97 115.08 2ozu h TYR 658 Ca 0.00 -0.27 -0.00 0.00 0.05 0.00 0.00 58.73 58.50 2ozu h TYR 658 Cb 0.00 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.54 2ozu h TYR 658 CO 0.00 1.04 0.12 0.78 -1.05 0.00 0.00 178.16 179.05 2ozu h GLY 659 N 0.91 0.32 0.97 3.88 0.00 -1.93 -1.81 103.07 105.42 2ozu h GLY 659 Ca 0.05 -0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.25 2ozu h GLY 659 CO 0.09 0.14 0.40 -0.09 0.00 0.00 0.00 176.54 177.08 2ozu h ARG 660 N 0.25 0.78 -0.36 4.80 2.43 -1.92 -1.96 114.38 118.40 2ozu h ARG 660 Ca 0.08 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.27 2ozu h ARG 660 Cb 0.05 -0.18 -0.06 0.00 -0.42 0.00 0.00 29.97 29.36 2ozu h ARG 660 CO -0.01 0.52 -0.05 0.35 -1.51 0.00 0.00 179.97 179.27 2ozu h PHE 661 N 0.81 -0.11 -0.77 2.20 3.57 -1.29 0.23 116.94 121.58 2ozu h PHE 661 Ca 0.23 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 2ozu h PHE 661 Cb -0.07 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 2ozu h PHE 661 CO -0.04 -0.12 0.38 -0.07 -2.23 0.00 0.00 178.31 176.24 2ozu h LEU 662 N 0.05 1.00 -0.42 0.59 3.38 -1.07 0.37 115.31 119.20 2ozu h LEU 662 Ca 0.18 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2ozu h LEU 662 Cb 0.26 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2ozu h LEU 662 CO -0.34 0.84 0.12 0.40 0.09 0.00 0.00 178.44 179.55 2ozu h ILE 663 N 1.08 1.22 -0.64 1.22 2.04 -0.94 0.25 117.51 121.74 2ozu h ILE 663 Ca 0.27 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 65.40 2ozu h ILE 663 Cb 0.10 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 2ozu h ILE 663 CO -0.04 0.27 0.39 -0.78 0.00 0.00 0.00 178.15 177.99 2ozu h ASP 664 N 0.55 0.63 -0.73 1.72 3.58 -0.28 -2.27 116.42 119.61 2ozu h ASP 664 Ca 0.14 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.54 2ozu h ASP 664 Cb 0.29 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 2ozu h ASP 664 CO -0.00 0.43 0.24 0.15 -2.88 0.00 0.00 179.24 177.18 2ozu h PHE 665 N 0.76 1.17 -0.79 0.28 3.57 0.33 -2.31 116.94 119.95 2ozu h PHE 665 Ca 0.26 -0.11 0.07 0.00 3.53 0.00 0.00 57.97 61.72 2ozu h PHE 665 Cb 0.05 -0.34 -0.05 0.00 2.79 0.00 0.00 35.95 38.40 2ozu h PHE 665 CO -0.06 0.92 0.52 0.66 -2.23 0.00 0.00 178.31 178.12 2ozu h SER 666 N 1.08 0.73 0.83 0.41 4.64 -0.06 -2.53 113.55 118.64 2ozu h SER 666 Ca 0.24 0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.41 2ozu h SER 666 Cb 0.29 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 2ozu h SER 666 CO -0.01 0.46 -0.74 1.88 -0.87 0.00 0.00 176.83 177.55 2ozu h TYR 667 N 0.82 0.00 -0.67 4.77 0.05 -1.02 -2.87 116.97 118.06 2ozu h TYR 667 Ca 0.35 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.09 2ozu h TYR 667 Cb 0.30 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.00 2ozu h TYR 667 CO -0.00 0.74 0.28 1.25 -1.05 0.00 0.00 178.16 179.38 2ozu h LEU 668 N 0.00 0.89 -0.30 3.88 5.85 -1.02 0.12 115.31 124.74 2ozu h LEU 668 Ca -0.01 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 2ozu h LEU 668 Cb 1.36 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 2ozu h LEU 668 CO 0.10 0.79 0.02 -0.07 -0.34 0.00 0.00 178.44 178.93 2ozu h LEU 669 N 0.96 0.50 -0.39 2.25 3.38 -1.44 -1.30 115.31 119.27 2ozu h LEU 669 Ca 0.23 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.98 2ozu h LEU 669 Cb 0.16 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 2ozu h LEU 669 CO -0.02 0.67 -0.04 0.28 0.09 0.00 0.00 178.44 179.42 2ozu h SER 670 N 0.31 -0.24 -0.36 -0.43 0.02 -1.27 0.12 113.55 111.71 2ozu h SER 670 Ca 0.09 0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 2ozu h SER 670 Cb 0.40 0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 2ozu h SER 670 CO 0.01 -0.08 0.10 0.11 -1.14 0.00 0.00 176.83 175.83 2ozu h LYS 671 N 0.06 0.64 0.00 3.45 1.57 -0.67 0.07 116.57 121.70 2ozu h LYS 671 Ca 0.19 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2ozu h LYS 671 Cb 0.28 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2ozu h LYS 671 CO -0.35 0.59 -0.14 -0.09 -0.57 0.00 0.00 179.45 178.90 2ozu h ARG 672 N 0.63 0.00 -0.15 3.15 2.43 -0.82 -2.89 114.38 116.72 2ozu h ARG 672 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2ozu h ARG 672 Cb 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2ozu h ARG 672 CO -0.00 0.00 0.00 -0.85 -1.51 0.00 0.00 179.97 177.61 2ozu n GLU 673 N -2.80 1.91 -1.85 0.20 0.28 0.37 -4.94 120.64 113.81 2ozu n GLU 673 Ca 0.04 -1.36 -0.08 0.00 -0.16 0.00 0.00 57.16 55.60 2ozu n GLU 673 Cb 0.50 -1.44 -0.01 0.00 1.43 0.00 0.00 31.44 31.92 2ozu n GLU 673 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ozu n GLY 674 N 1.23 0.35 3.18 -1.84 0.00 -0.87 -5.03 105.19 102.20 2ozu n GLY 674 Ca 0.17 -0.59 -0.18 0.00 0.00 0.00 0.00 46.02 45.42 2ozu n GLY 674 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ozu s GLN 675 N -3.84 0.85 0.20 1.61 -1.52 -0.04 -5.02 119.66 111.90 2ozu s GLN 675 Ca 0.00 -1.03 -0.19 0.00 -1.95 0.00 0.00 55.36 52.19 2ozu s GLN 675 Cb 0.00 -0.78 -0.08 0.00 -0.22 0.00 0.00 33.01 31.93 2ozu s GLN 675 CO 0.00 0.16 0.69 0.00 -0.25 0.00 0.00 175.29 175.90 2ozu s ALA 676 N -1.61 3.45 0.33 6.09 0.00 -1.26 -3.72 121.76 125.04 2ozu s ALA 676 Ca 0.01 0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.12 2ozu s ALA 676 Cb -0.08 -2.77 -0.06 0.00 0.00 0.00 0.00 23.12 20.21 2ozu s ALA 676 CO 0.02 0.35 0.06 0.20 0.00 0.00 0.00 175.76 176.39 2ozu s GLY 677 N -1.62 2.08 -0.06 0.00 0.00 -0.53 -4.87 107.32 102.32 2ozu s GLY 677 Ca 0.41 -1.99 -0.16 0.00 0.00 0.00 0.00 44.72 42.98 2ozu s GLY 677 CO 0.21 -1.80 0.38 -0.45 0.00 0.00 0.00 173.10 171.44 2ozu s SER 678 N -3.48 -0.31 0.59 1.64 0.15 -1.19 -3.08 113.70 108.02 2ozu s SER 678 Ca 0.36 0.38 -0.18 0.00 0.70 0.00 0.00 55.95 57.20 2ozu s SER 678 Cb 0.08 0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 64.85 2ozu s SER 678 CO 0.15 -0.37 1.18 -2.16 1.20 0.00 0.00 173.24 173.23 2ozu s PRO 679 N -0.85 3.03 0.27 5.44 0.04 -1.26 -0.71 135.00 140.96 2ozu s PRO 679 Ca -0.09 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 62.37 2ozu s PRO 679 Cb -0.04 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.44 2ozu s PRO 679 CO 0.04 -1.14 1.56 -2.00 0.04 0.00 0.00 177.00 175.50 2ozu s GLU 680 N -3.41 4.17 0.18 4.56 2.12 -0.18 -4.90 118.70 121.24 2ozu s GLU 680 Ca 0.75 2.49 0.06 0.00 0.36 0.00 0.00 54.97 58.63 2ozu s GLU 680 Cb -0.28 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 2ozu s GLU 680 CO 0.33 -0.58 0.10 0.15 -0.54 0.00 0.00 175.26 174.72 2ozu s LYS 681 N -0.26 2.73 0.44 4.30 3.01 -1.26 -4.22 119.74 124.48 2ozu s LYS 681 Ca 0.63 -0.98 -0.25 0.00 -1.01 0.00 0.00 55.97 54.36 2ozu s LYS 681 Cb -0.46 -2.53 -0.08 0.00 -1.01 0.00 0.00 37.83 33.75 2ozu s LYS 681 CO 0.45 0.46 1.31 -1.25 0.51 0.00 0.00 175.35 176.83 2ozu s PRO 682 N -3.17 3.80 0.22 -1.68 0.04 -1.26 -5.16 135.00 127.79 2ozu s PRO 682 Ca 0.30 2.16 -0.17 0.00 0.04 0.00 0.00 61.00 63.34 2ozu s PRO 682 Cb -0.09 -2.64 -0.08 0.00 0.04 0.00 0.00 34.50 31.73 2ozu s PRO 682 CO 0.22 -0.63 0.67 -0.51 0.04 0.00 0.00 177.00 176.78 2ozu s LEU 683 N -2.67 4.27 0.82 -3.56 1.43 -1.26 -5.09 118.68 112.63 2ozu s LEU 683 Ca 0.60 1.26 -0.11 0.00 -1.03 0.00 0.00 54.13 54.85 2ozu s LEU 683 Cb -0.38 -3.60 0.09 0.00 0.03 0.00 0.00 46.19 42.32 2ozu s LEU 683 CO 0.48 -0.00 1.10 -0.94 0.23 0.00 0.00 176.35 177.22 2ozu s SER 684 N -1.84 4.02 0.21 2.29 1.04 -1.26 -4.78 113.70 113.38 2ozu s SER 684 Ca 0.44 1.82 -0.11 0.00 0.48 0.00 0.00 55.95 58.58 2ozu s SER 684 Cb -0.15 -2.47 0.29 0.00 0.10 0.00 0.00 66.02 63.80 2ozu s SER 684 CO 0.20 -2.34 1.67 0.44 0.98 0.00 0.00 173.24 174.19 2ozu h ASP 685 N -1.34 -0.21 -0.75 7.02 5.19 -1.99 0.23 116.42 124.57 2ozu h ASP 685 Ca -0.45 0.14 -0.03 0.00 -0.62 0.00 0.00 57.03 56.07 2ozu h ASP 685 Cb 1.25 0.24 -0.04 0.00 0.18 0.00 0.00 39.33 40.96 2ozu h ASP 685 CO 0.50 -0.09 0.35 -0.07 -3.12 0.00 0.00 179.24 176.82 2ozu h LEU 686 N 0.14 1.00 -0.39 1.55 3.38 -2.00 -1.59 115.31 117.40 2ozu h LEU 686 Ca 0.32 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2ozu h LEU 686 Cb 0.51 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2ozu h LEU 686 CO -0.49 0.85 0.21 1.23 0.09 0.00 0.00 178.44 180.33 2ozu h GLY 687 N 1.13 0.58 0.92 0.83 0.00 -1.66 -1.87 103.07 103.00 2ozu h GLY 687 Ca 0.26 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.34 2ozu h GLY 687 CO -0.03 0.26 0.17 -0.09 0.00 0.00 0.00 176.54 176.85 2ozu h ARG 688 N 0.50 0.35 -0.64 4.80 2.43 -0.32 -1.78 114.38 119.72 2ozu h ARG 688 Ca 0.14 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 2ozu h ARG 688 Cb 0.06 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 2ozu h ARG 688 CO -0.02 0.23 0.21 -0.07 -1.51 0.00 0.00 179.97 178.81 2ozu h LEU 689 N 0.36 0.91 -0.25 3.80 3.38 -1.23 -1.54 115.31 120.75 2ozu h LEU 689 Ca 0.12 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2ozu h LEU 689 Cb 0.00 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2ozu h LEU 689 CO -0.06 0.87 0.09 0.28 0.09 0.00 0.00 178.44 179.71 2ozu h SER 690 N 0.91 0.35 -0.15 -0.43 0.02 -1.16 -0.84 113.55 112.25 2ozu h SER 690 Ca 0.21 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 2ozu h SER 690 Cb 0.27 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 2ozu h SER 690 CO -0.01 0.43 -0.20 1.88 -1.14 0.00 0.00 176.83 177.79 2ozu h TYR 691 N 0.24 0.49 -1.00 3.45 -1.99 -1.27 -1.33 116.97 115.56 2ozu h TYR 691 Ca 0.08 -0.16 0.06 0.00 2.00 0.00 0.00 58.73 60.72 2ozu h TYR 691 Cb 0.20 -0.10 -0.07 0.00 2.00 0.00 0.00 36.73 38.76 2ozu h TYR 691 CO -0.00 0.82 0.64 0.52 -0.00 0.00 0.00 178.16 180.14 2ozu h MET 692 N 0.02 1.14 -0.56 4.88 2.86 -1.30 0.19 114.93 122.15 2ozu h MET 692 Ca 0.02 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.51 2ozu h MET 692 Cb 0.76 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 2ozu h MET 692 CO 0.05 0.75 0.04 0.00 1.06 0.00 0.00 176.91 178.81 2ozu h ALA 693 N 1.45 1.01 -0.13 6.32 0.00 -1.01 -1.87 119.26 125.03 2ozu h ALA 693 Ca 0.43 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2ozu h ALA 693 Cb 0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2ozu h ALA 693 CO -0.17 0.62 -0.04 -0.92 0.00 0.00 0.00 179.25 178.73 2ozu h TYR 694 N 0.87 0.30 -0.29 0.00 3.20 -0.54 -3.02 116.97 117.48 2ozu h TYR 694 Ca 0.17 -0.07 -0.08 0.00 3.14 0.00 0.00 58.73 61.89 2ozu h TYR 694 Cb 0.46 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2ozu h TYR 694 CO 0.03 0.57 -0.14 -1.49 -1.64 0.00 0.00 178.16 175.48 2ozu h TRP 695 N -0.06 0.70 -0.41 -3.82 6.55 -0.56 -1.50 115.95 116.84 2ozu h TRP 695 Ca 0.03 -0.17 0.08 0.00 0.95 0.00 0.00 58.89 59.78 2ozu h TRP 695 Cb 0.48 -0.16 -0.07 0.00 -0.86 0.00 0.00 29.16 28.55 2ozu h TRP 695 CO 0.06 0.84 -0.04 0.87 -1.05 0.00 0.00 178.44 179.12 2ozu h LYS 696 N 0.35 0.06 -0.39 0.49 1.57 -1.46 -0.67 116.57 116.53 2ozu h LYS 696 Ca 0.06 -0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.70 2ozu h LYS 696 Cb 0.66 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2ozu h LYS 696 CO 0.04 0.04 -0.31 0.66 -0.57 0.00 0.00 179.45 179.32 2ozu h SER 697 N 0.07 0.91 -0.51 0.86 4.64 -1.39 0.16 113.55 118.28 2ozu h SER 697 Ca 0.20 -0.38 -0.04 0.00 -0.47 0.00 0.00 61.79 61.11 2ozu h SER 697 Cb 0.30 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 2ozu h SER 697 CO -0.37 1.14 0.17 0.58 -0.87 0.00 0.00 176.83 177.48 2ozu h VAL 698 N 0.73 1.23 -0.13 0.95 2.07 -1.19 -0.95 116.25 118.96 2ozu h VAL 698 Ca 0.08 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 2ozu h VAL 698 Cb 0.87 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2ozu h VAL 698 CO 0.08 0.27 -0.07 0.40 0.02 0.00 0.00 177.57 178.27 2ozu h ILE 699 N 0.69 1.32 -0.81 4.57 2.04 -0.96 -1.67 117.51 122.69 2ozu h ILE 699 Ca 0.17 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 2ozu h ILE 699 Cb 0.25 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 2ozu h ILE 699 CO -0.01 0.32 0.43 -0.07 0.00 0.00 0.00 178.15 178.83 2ozu h LEU 700 N -0.07 1.02 -0.58 1.44 3.38 -0.70 -1.00 115.31 118.80 2ozu h LEU 700 Ca 0.03 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 2ozu h LEU 700 Cb 0.54 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2ozu h LEU 700 CO 0.02 0.83 -0.57 -0.33 0.09 0.00 0.00 178.44 178.48 2ozu h GLU 701 N 1.12 0.42 -0.11 1.13 5.08 -1.19 -0.95 114.58 120.08 2ozu h GLU 701 Ca 0.28 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 2ozu h GLU 701 Cb 0.05 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2ozu h GLU 701 CO -0.04 0.88 -0.09 0.00 -1.00 0.00 0.00 179.01 178.76 2ozu h LEU 703 N -0.14 0.27 -0.93 0.00 3.38 -1.15 0.18 115.31 116.92 2ozu h LEU 703 Ca 0.02 0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.19 2ozu h LEU 703 Cb 0.58 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.22 2ozu h LEU 703 CO 0.02 0.19 0.52 0.22 0.09 0.00 0.00 178.44 179.48 2ozu h TYR 704 N 0.40 0.91 -0.02 1.13 3.20 -1.16 -1.95 116.97 119.48 2ozu h TYR 704 Ca 0.19 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.10 2ozu h TYR 704 Cb 0.13 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.14 2ozu h TYR 704 CO -0.12 0.21 0.00 0.72 -1.64 0.00 0.00 178.16 177.33 2ozu n HIS 705 N -4.82 0.00 0.00 -3.82 8.25 -0.64 -5.10 115.22 109.09 2ozu n HIS 705 Ca 0.20 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 2ozu n HIS 705 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 2ozu n HIS 705 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2ozu n GLN 706 N 0.37 0.23 -1.05 -0.41 1.13 0.53 -5.05 117.38 113.13 2ozu n GLN 706 Ca 0.18 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 2ozu n GLN 706 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.74 2ozu n GLN 706 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2ozu n SER 712 N 0.00 -0.68 0.03 1.08 2.88 -1.26 -5.01 113.62 110.66 2ozu n SER 712 Ca 0.00 0.11 -0.20 0.00 -1.33 0.00 0.00 58.87 57.46 2ozu n SER 712 Cb 0.00 -1.79 -0.10 0.00 -0.75 0.00 0.00 64.21 61.58 2ozu n SER 712 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2ozu h ILE 713 N 0.77 1.28 -0.61 2.46 2.04 -2.01 -2.17 117.51 119.28 2ozu h ILE 713 Ca 0.00 -2.19 -0.07 0.00 1.00 0.00 0.00 64.86 63.60 2ozu h ILE 713 Cb 0.02 2.31 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 2ozu h ILE 713 CO 0.00 0.68 0.10 0.07 0.00 0.00 0.00 178.15 179.00 2ozu h LYS 714 N 0.41 0.99 -0.09 2.37 2.10 -1.99 0.33 116.57 120.69 2ozu h LYS 714 Ca -0.12 -0.25 -0.01 0.00 -2.00 0.00 0.00 60.65 58.28 2ozu h LYS 714 Cb 1.64 -0.12 -0.00 0.00 -0.90 0.00 0.00 32.23 32.84 2ozu h LYS 714 CO 0.20 0.91 0.02 -0.22 -2.00 0.00 0.00 179.45 178.35 2ozu h LYS 715 N 0.93 0.15 -0.98 0.07 1.63 -2.00 -2.16 116.57 114.21 2ozu h LYS 715 Ca 0.19 -0.04 0.16 0.00 -0.85 0.00 0.00 60.65 60.11 2ozu h LYS 715 Cb 0.40 -0.02 -0.10 0.00 -0.60 0.00 0.00 32.23 31.91 2ozu h LYS 715 CO 0.01 0.36 0.59 1.25 -3.45 0.00 0.00 179.45 178.21 2ozu h LEU 716 N -0.08 0.79 -0.60 5.20 5.85 -1.27 -1.94 115.31 123.26 2ozu h LEU 716 Ca 0.03 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 2ozu h LEU 716 Cb 0.28 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2ozu h LEU 716 CO 0.00 0.33 0.20 -1.28 -0.34 0.00 0.00 178.44 177.35 2ozu h SER 717 N 0.81 0.86 -0.35 1.25 0.87 -0.67 -3.11 113.55 113.22 2ozu h SER 717 Ca 0.54 -0.20 -0.13 0.00 -1.23 0.00 0.00 61.79 60.77 2ozu h SER 717 Cb 0.74 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 2ozu h SER 717 CO -0.35 0.83 -0.26 0.11 -0.53 0.00 0.00 176.83 176.63 2ozu h LYS 718 N 0.85 0.86 0.00 2.24 1.57 -0.76 0.10 116.57 121.43 2ozu h LYS 718 Ca 0.19 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2ozu h LYS 718 Cb 0.27 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2ozu h LYS 718 CO -0.01 1.02 0.00 1.28 -0.57 0.00 0.00 179.45 181.17 2ozu n LEU 719 N -4.09 0.66 0.00 2.94 4.77 -0.79 -4.12 117.00 116.37 2ozu n LEU 719 Ca -0.00 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 2ozu n LEU 719 Cb 0.47 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2ozu n LEU 719 CO 0.46 -0.47 -0.20 1.07 -1.33 0.00 0.00 177.39 176.92 2ozu n THR 720 N -2.21 0.00 -0.48 -5.08 5.66 -1.18 -5.02 114.28 105.97 2ozu n THR 720 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 2ozu n THR 720 Cb 0.27 -0.34 0.00 0.00 -1.55 0.00 0.00 70.33 68.70 2ozu n THR 720 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ozu n GLY 721 N 1.44 1.87 3.72 1.09 0.00 0.35 -4.81 105.19 108.86 2ozu n GLY 721 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2ozu n GLY 721 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ozu s ILE 722 N -3.33 3.97 0.64 -0.61 1.01 -1.24 -1.46 121.20 120.18 2ozu s ILE 722 Ca 0.00 1.54 -0.14 0.00 0.00 0.00 0.00 60.65 62.04 2ozu s ILE 722 Cb 0.00 -3.98 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 2ozu s ILE 722 CO 0.00 0.19 1.08 0.00 0.00 0.00 0.00 174.94 176.20 2ozu h PRO 724 N 0.04 0.52 -0.39 0.00 0.11 -1.94 -2.50 132.00 127.84 2ozu h PRO 724 Ca -0.46 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.63 2ozu h PRO 724 Cb 1.23 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 2ozu h PRO 724 CO 0.56 0.34 0.23 0.37 -0.21 0.00 0.00 178.00 179.29 2ozu h GLN 725 N 0.53 0.45 -0.07 1.05 5.75 -1.99 -0.63 115.11 120.20 2ozu h GLN 725 Ca 0.53 -0.03 -0.16 0.00 -0.15 0.00 0.00 58.65 58.84 2ozu h GLN 725 Cb 0.91 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.35 2ozu h GLN 725 CO -0.45 0.30 -0.67 -0.44 -2.65 0.00 0.00 178.83 174.92 2ozu h ASP 726 N 0.47 0.35 -0.14 -0.69 3.32 -1.86 -0.59 116.42 117.28 2ozu h ASP 726 Ca 0.15 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 2ozu h ASP 726 Cb 0.00 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2ozu h ASP 726 CO -0.07 0.92 0.03 0.40 -1.72 0.00 0.00 179.24 178.80 2ozu h ILE 727 N 0.21 1.21 -0.24 0.35 2.04 -1.31 -1.39 117.51 118.38 2ozu h ILE 727 Ca -0.02 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.19 2ozu h ILE 727 Cb 1.21 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 2ozu h ILE 727 CO 0.11 0.20 0.15 0.74 0.00 0.00 0.00 178.15 179.34 2ozu h THR 728 N 0.03 1.04 -0.03 -0.27 2.02 -0.82 0.14 112.91 115.02 2ozu h THR 728 Ca 0.04 -0.10 -0.14 0.00 0.77 0.00 0.00 66.41 66.98 2ozu h THR 728 Cb 0.28 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 2ozu h THR 728 CO 0.00 0.06 -0.63 0.77 0.37 0.00 0.00 175.52 176.09 2ozu h SER 729 N 0.30 0.12 -0.33 4.18 4.64 -1.14 -0.33 113.55 120.99 2ozu h SER 729 Ca 0.09 -0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.26 2ozu h SER 729 Cb -0.01 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 2ozu h SER 729 CO -0.04 0.72 -0.10 0.74 -0.87 0.00 0.00 176.83 177.28 2ozu h THR 730 N 0.08 1.28 -0.97 2.95 2.02 -0.99 -1.03 112.91 116.24 2ozu h THR 730 Ca -0.01 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.01 2ozu h THR 730 Cb 1.12 1.35 -0.05 0.00 -1.74 0.00 0.00 68.15 68.84 2ozu h THR 730 CO 0.09 0.38 0.62 -0.07 0.37 0.00 0.00 175.52 176.91 2ozu h LEU 731 N 0.43 1.14 -0.06 2.58 3.38 -0.51 -1.41 115.31 120.86 2ozu h LEU 731 Ca 0.08 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2ozu h LEU 731 Cb 0.60 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2ozu h LEU 731 CO 0.04 0.85 0.03 -0.74 0.09 0.00 0.00 178.44 178.70 2ozu h HIS 732 N 1.33 0.09 0.00 1.13 2.76 -0.94 0.19 115.15 119.72 2ozu h HIS 732 Ca 0.35 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.52 2ozu h HIS 732 Cb -0.12 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 28.82 2ozu h HIS 732 CO 0.00 0.20 -0.00 0.45 -1.30 0.00 0.00 177.93 177.28 2ozu h HIS 733 N -0.05 0.00 -0.25 5.26 3.86 -0.91 0.73 115.15 123.79 2ozu h HIS 733 Ca 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2ozu h HIS 733 Cb 0.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.62 2ozu h HIS 733 CO -0.02 0.00 0.00 1.28 0.86 0.00 0.00 177.93 180.05 2ozu n LEU 734 N -4.38 1.44 -4.27 2.43 4.77 -0.56 -4.92 117.00 111.50 2ozu n LEU 734 Ca -0.03 -0.70 -0.31 0.00 -0.03 0.00 0.00 56.01 54.94 2ozu n LEU 734 Cb 0.09 -0.17 -0.09 0.00 -2.33 0.00 0.00 43.42 40.92 2ozu n LEU 734 CO 0.33 0.35 -0.43 -2.11 -1.33 0.00 0.00 177.39 174.20 2ozu n ARG 735 N 0.26 -0.92 -0.15 3.23 0.00 0.25 -4.87 116.66 114.46 2ozu n ARG 735 Ca 0.10 0.09 0.08 0.00 -0.00 0.00 0.00 57.85 58.13 2ozu n ARG 735 Cb 0.24 -3.57 0.15 0.00 -0.00 0.00 0.00 32.46 29.28 2ozu n ARG 735 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 2ozu n MET 736 N -4.40 1.93 -3.54 2.89 2.81 0.66 -4.95 117.12 112.51 2ozu n MET 736 Ca -0.27 -2.49 -0.34 0.00 -1.81 0.00 0.00 57.70 52.80 2ozu n MET 736 Cb 0.65 -1.51 -0.07 0.00 -0.71 0.00 0.00 33.22 31.58 2ozu n MET 736 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2ozu n LEU 737 N -1.03 4.23 0.00 4.03 7.94 -1.21 -4.73 117.00 126.23 2ozu n LEU 737 Ca 0.15 -5.23 0.00 0.00 -1.11 0.00 0.00 56.01 49.82 2ozu n LEU 737 Cb 0.64 -0.97 0.00 0.00 0.53 0.00 0.00 43.42 43.62 2ozu n LEU 737 CO 0.04 1.73 0.00 -0.38 -1.11 0.00 0.00 177.39 177.68 2ozu n ILE 747 N 1.76 0.00 -2.97 1.96 5.41 -1.26 -4.98 119.36 119.28 2ozu n ILE 747 Ca 0.24 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.58 2ozu n ILE 747 Cb 0.37 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.26 2ozu n ILE 747 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2ozu s ARG 748 N -2.17 4.34 -0.75 0.38 0.52 -1.26 -5.00 118.95 115.01 2ozu s ARG 748 Ca 0.00 0.92 -0.13 0.00 -0.52 0.00 0.00 55.73 56.00 2ozu s ARG 748 Cb 0.00 -3.53 0.20 0.00 0.52 0.00 0.00 34.95 32.14 2ozu s ARG 748 CO 0.00 -0.17 0.68 1.03 0.02 0.00 0.00 175.30 176.86 2ozu s ARG 749 N 1.59 3.36 0.17 3.54 0.52 -1.26 -4.95 118.95 121.93 2ozu s ARG 749 Ca 0.37 -2.32 -0.14 0.00 -0.52 0.00 0.00 55.73 53.12 2ozu s ARG 749 Cb -0.17 -4.32 0.10 0.00 0.52 0.00 0.00 34.95 31.08 2ozu s ARG 749 CO 0.15 -1.28 1.79 0.93 0.02 0.00 0.00 175.30 176.90 2ozu h GLU 750 N 7.91 0.46 -0.70 3.54 4.39 -1.99 -2.07 114.58 126.12 2ozu h GLU 750 Ca 0.02 -0.03 0.11 0.00 0.34 0.00 0.00 59.36 59.80 2ozu h GLU 750 Cb 1.04 -0.10 -0.08 0.00 -0.10 0.00 0.00 28.75 29.51 2ozu h GLU 750 CO 0.80 0.31 0.30 -0.22 -1.16 0.00 0.00 179.01 179.04 2ozu h LYS 751 N 0.48 0.49 -0.38 2.33 1.63 -2.00 -0.26 116.57 118.86 2ozu h LYS 751 Ca 0.20 -0.03 -0.11 0.00 -0.85 0.00 0.00 60.65 59.86 2ozu h LYS 751 Cb 0.10 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 2ozu h LYS 751 CO -0.14 0.32 -0.18 1.25 -3.45 0.00 0.00 179.45 177.25 2ozu h LEU 752 N 0.50 0.82 -0.00 5.20 5.85 -1.83 -1.95 115.31 123.90 2ozu h LEU 752 Ca 0.36 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.69 2ozu h LEU 752 Cb 0.46 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2ozu h LEU 752 CO -0.32 1.04 -0.05 0.40 -0.34 0.00 0.00 178.44 179.17 2ozu h ILE 753 N 0.60 0.87 -0.36 4.05 2.04 -1.00 -2.10 117.51 121.59 2ozu h ILE 753 Ca 0.08 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.94 2ozu h ILE 753 Cb 0.73 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 2ozu h ILE 753 CO 0.06 0.00 0.21 1.56 0.00 0.00 0.00 178.15 179.98 2ozu h GLN 754 N -0.09 0.50 -0.80 2.37 1.08 -1.01 -2.12 115.11 115.03 2ozu h GLN 754 Ca 0.02 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 2ozu h GLN 754 Cb 0.12 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 2ozu h GLN 754 CO -0.05 0.39 0.36 -0.44 -0.95 0.00 0.00 178.83 178.14 2ozu h ASP 755 N 0.47 1.07 -0.56 1.46 3.45 -1.33 -1.31 116.42 119.67 2ozu h ASP 755 Ca 0.13 -0.15 -0.03 0.00 0.43 0.00 0.00 57.03 57.41 2ozu h ASP 755 Cb 0.02 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.49 2ozu h ASP 755 CO -0.02 0.92 0.24 -0.74 -1.57 0.00 0.00 179.24 178.07 2ozu h HIS 756 N 1.14 0.83 0.00 4.55 2.76 -1.26 0.11 115.15 123.28 2ozu h HIS 756 Ca 0.27 -0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.37 2ozu h HIS 756 Cb 0.15 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 28.86 2ozu h HIS 756 CO 0.01 0.66 -0.10 1.98 -1.30 0.00 0.00 177.93 179.18 2ozu h MET 757 N 0.75 0.00 -0.02 5.26 -1.53 -0.95 0.00 114.93 118.45 2ozu h MET 757 Ca 0.19 0.00 -0.24 0.00 -3.44 0.00 0.00 59.70 56.21 2ozu h MET 757 Cb 0.17 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.23 2ozu h MET 757 CO -0.02 0.10 -0.94 0.00 0.14 0.00 0.00 176.91 176.19 2ozu h ALA 758 N 1.90 0.31 0.11 0.39 0.00 -0.83 -3.33 119.26 117.81 2ozu h ALA 758 Ca -0.00 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 2ozu h ALA 758 Cb 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2ozu h ALA 758 CO 0.01 0.76 -0.07 -0.22 0.00 0.00 0.00 179.25 179.74 2ozu h LYS 759 N 0.31 -0.17 -7.21 0.00 3.64 -0.00 -3.29 116.57 109.85 2ozu h LYS 759 Ca -0.09 0.01 -0.52 0.00 -1.27 0.00 0.00 60.65 58.78 2ozu h LYS 759 Cb 1.58 0.04 0.13 0.00 -0.41 0.00 0.00 32.23 33.57 2ozu h LYS 759 CO 0.17 -0.11 0.36 -1.17 -2.27 0.00 0.00 179.45 176.44 2ozu s LEU 760 N -10.18 3.29 0.00 5.20 2.96 -0.11 -2.50 118.68 117.35 2ozu s LEU 760 Ca -0.14 2.10 0.00 0.00 -0.22 0.00 0.00 54.13 55.88 2ozu s LEU 760 Cb 0.06 -4.56 0.00 0.00 0.50 0.00 0.00 46.19 42.19 2ozu s LEU 760 CO 0.65 -1.97 0.00 0.00 -1.32 0.00 0.00 176.35 173.71 2ozu n GLN 761 N -2.75 0.00 -0.19 1.98 6.02 -1.26 -4.78 117.38 116.40 2ozu n GLN 761 Ca 0.11 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.22 2ozu n GLN 761 Cb 0.52 -1.53 0.23 0.00 1.02 0.00 0.00 30.24 30.48 2ozu n GLN 761 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2ozu n LEU 762 N 0.00 3.39 -3.53 1.08 -0.00 -1.04 -5.12 117.00 111.78 2ozu n LEU 762 Ca 0.00 -1.47 -0.27 0.00 -0.00 0.00 0.00 56.01 54.27 2ozu n LEU 762 Cb 0.00 -0.25 -0.10 0.00 -0.00 0.00 0.00 43.42 43.07 2ozu n LEU 762 CO 0.00 0.73 -0.16 -1.14 -0.00 0.00 0.00 177.39 176.82 2ozu n ARG 765 N 1.44 1.15 0.28 1.96 0.63 -1.26 -5.14 116.66 115.73 2ozu n ARG 765 Ca 0.19 -3.83 0.17 0.00 -0.92 0.00 0.00 57.85 53.47 2ozu n ARG 765 Cb 0.59 -1.88 0.71 0.00 0.45 0.00 0.00 32.46 32.34 2ozu n ARG 765 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 2ozu h PRO 766 N 5.06 0.00 -4.78 -0.14 0.13 -1.99 -3.38 132.00 126.89 2ozu h PRO 766 Ca 0.19 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.64 2ozu h PRO 766 Cb 0.82 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.66 2ozu h PRO 766 CO 0.57 0.02 -0.65 0.08 -0.23 0.00 0.00 178.00 177.79 2ozu s VAL 767 N -3.72 3.64 -0.16 1.56 1.01 -1.26 -5.08 120.40 116.38 2ozu s VAL 767 Ca 0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 2ozu s VAL 767 Cb 0.09 -2.94 0.05 0.00 0.00 0.00 0.00 36.38 33.59 2ozu s VAL 767 CO 0.54 0.01 0.41 -0.62 0.00 0.00 0.00 175.10 175.44 2ozu s ASP 768 N 1.42 -0.49 0.00 3.32 2.15 -1.26 -4.72 116.67 117.09 2ozu s ASP 768 Ca 0.00 0.87 -0.30 0.00 0.43 0.00 0.00 52.55 53.55 2ozu s ASP 768 Cb -0.18 0.78 -0.06 0.00 -0.30 0.00 0.00 42.92 43.16 2ozu s ASP 768 CO 0.01 -0.18 1.43 -0.69 -0.17 0.00 0.00 175.17 175.57 2ozu s VAL 769 N 1.15 3.64 -0.38 1.11 1.01 -1.26 -5.01 120.40 120.67 2ozu s VAL 769 Ca -0.08 1.02 -0.07 0.00 0.00 0.00 0.00 61.98 62.86 2ozu s VAL 769 Cb -0.07 -3.66 0.07 0.00 0.00 0.00 0.00 36.38 32.72 2ozu s VAL 769 CO -0.10 -0.01 0.18 -0.62 0.00 0.00 0.00 175.10 174.56 2ozu s ASP 770 N 1.99 5.44 0.57 3.32 3.68 -1.26 -4.99 116.67 125.42 2ozu s ASP 770 Ca 0.65 -1.43 0.27 0.00 2.13 0.00 0.00 52.55 54.18 2ozu s ASP 770 Cb -0.32 -1.91 1.53 0.00 -1.45 0.00 0.00 42.92 40.77 2ozu s ASP 770 CO 0.27 -0.45 2.03 -0.65 0.13 0.00 0.00 175.17 176.50 2ozu h PRO 771 N 8.28 0.00 0.00 4.34 0.11 -1.99 -0.00 132.00 142.73 2ozu h PRO 771 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2ozu h PRO 771 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2ozu h PRO 771 CO 0.68 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.86 2ozu n GLU 772 N -3.95 0.21 -0.01 1.05 1.02 -1.26 -2.70 120.64 115.00 2ozu n GLU 772 Ca 0.05 0.31 0.14 0.00 -0.02 0.00 0.00 57.16 57.63 2ozu n GLU 772 Cb 0.47 -1.82 0.55 0.00 -0.02 0.00 0.00 31.44 30.63 2ozu n GLU 772 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ozu s LEU 774 N -1.92 4.18 -0.93 0.00 0.20 -1.10 -3.39 118.68 115.73 2ozu s LEU 774 Ca 0.38 1.42 -0.01 0.00 0.69 0.00 0.00 54.13 56.61 2ozu s LEU 774 Cb 0.20 -3.50 0.28 0.00 -0.43 0.00 0.00 46.19 42.74 2ozu s LEU 774 CO 0.32 -0.52 1.14 0.54 -0.29 0.00 0.00 176.35 177.55 2ozu n ARG 775 N 5.50 3.57 0.00 1.98 1.74 0.12 -5.01 116.66 124.57 2ozu n ARG 775 Ca 0.09 -4.57 0.00 0.00 -0.77 0.00 0.00 57.85 52.60 2ozu n ARG 775 Cb 0.48 -2.43 0.00 0.00 -1.02 0.00 0.00 32.46 29.49 2ozu n ARG 775 CO 0.00 0.00 0.00 1.87 -1.52 0.00 0.00 177.63 177.98