#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kfv s SER 491 N 0.00 -0.26 0.01 1.67 0.15 -1.26 -3.01 113.70 111.00 3kfv s SER 491 Ca 0.00 0.50 -0.19 0.00 0.70 0.00 0.00 55.95 56.95 3kfv s SER 491 Cb 0.00 0.50 0.06 0.00 -1.71 0.00 0.00 66.02 64.88 3kfv s SER 491 CO 0.00 -0.09 0.88 2.22 1.20 0.00 0.00 173.24 177.46 3kfv n PHE 492 N 2.97 -0.47 -4.51 3.44 -1.74 -1.11 -5.04 117.46 111.00 3kfv n PHE 492 Ca -0.13 -0.59 -0.33 0.00 -0.56 0.00 0.00 57.45 55.85 3kfv n PHE 492 Cb 0.58 0.27 -0.11 0.00 1.52 0.00 0.00 39.48 41.75 3kfv n PHE 492 CO 0.00 0.00 0.00 0.71 -0.56 0.00 0.00 176.76 176.91 3kfv s TYR 493 N -2.50 2.91 0.00 2.97 2.02 -1.26 -0.77 117.35 120.73 3kfv s TYR 493 Ca 0.21 -0.01 0.04 0.00 -0.37 0.00 0.00 57.07 56.93 3kfv s TYR 493 Cb -0.01 -1.64 -0.01 0.00 -0.40 0.00 0.00 41.96 39.89 3kfv s TYR 493 CO 0.00 0.36 -0.12 -1.50 -1.57 0.00 0.00 175.55 172.72 3kfv s ILE 494 N -0.94 0.95 -0.11 2.71 1.10 0.32 -1.75 121.20 123.49 3kfv s ILE 494 Ca 0.16 -0.63 -0.01 0.00 -0.51 0.00 0.00 60.65 59.66 3kfv s ILE 494 Cb -0.11 -0.82 -0.02 0.00 0.15 0.00 0.00 42.46 41.66 3kfv s ILE 494 CO 0.06 0.18 -0.09 -0.60 -2.11 0.00 0.00 174.94 172.38 3kfv s ARG 495 N -0.52 3.21 -0.11 3.50 3.52 0.80 0.05 118.95 129.40 3kfv s ARG 495 Ca 0.03 -0.60 -0.13 0.00 -0.13 0.00 0.00 55.73 54.91 3kfv s ARG 495 Cb -0.05 -2.68 -0.05 0.00 -1.56 0.00 0.00 34.95 30.60 3kfv s ARG 495 CO -0.00 0.39 0.30 0.95 -0.81 0.00 0.00 175.30 176.13 3kfv s THR 496 N -0.08 5.27 -0.20 4.11 -4.23 -0.50 -1.24 115.64 118.78 3kfv s THR 496 Ca -0.00 0.58 0.12 0.00 -1.18 0.00 0.00 61.69 61.20 3kfv s THR 496 Cb -0.13 -3.62 0.41 0.00 1.34 0.00 0.00 72.50 70.49 3kfv s THR 496 CO 0.03 0.47 1.21 1.41 -0.54 0.00 0.00 174.62 177.20 3kfv n HIS 497 N 2.90 0.00 -3.86 3.99 8.25 -0.06 -0.29 115.22 126.14 3kfv n HIS 497 Ca -0.14 -1.44 -0.09 0.00 -0.26 0.00 0.00 57.72 55.79 3kfv n HIS 497 Cb 0.52 -0.24 -0.05 0.00 1.12 0.00 0.00 29.99 31.34 3kfv n HIS 497 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 3kfv s PHE 498 N -3.16 0.16 0.11 4.41 -0.12 -1.26 -4.80 117.98 113.33 3kfv s PHE 498 Ca 0.37 -0.52 -0.14 0.00 -0.05 0.00 0.00 56.93 56.59 3kfv s PHE 498 Cb 0.36 0.16 -0.07 0.00 -0.63 0.00 0.00 43.02 42.85 3kfv s PHE 498 CO -0.06 -0.83 0.51 -1.21 -0.05 0.00 0.00 175.22 173.58 3kfv s GLU 499 N -3.93 3.96 -0.09 1.99 8.01 -1.26 -3.79 118.70 123.59 3kfv s GLU 499 Ca 0.14 0.46 -0.06 0.00 0.01 0.00 0.00 54.97 55.51 3kfv s GLU 499 Cb 0.01 -3.01 0.03 0.00 -4.31 0.00 0.00 34.13 26.86 3kfv s GLU 499 CO -0.01 0.53 0.23 -1.17 0.01 0.00 0.00 175.26 174.85 3kfv s LEU 500 N -1.77 0.78 0.37 1.80 2.96 -0.40 -4.97 118.68 117.45 3kfv s LEU 500 Ca 0.35 0.48 -0.20 0.00 -0.22 0.00 0.00 54.13 54.53 3kfv s LEU 500 Cb -0.15 0.73 -0.10 0.00 0.50 0.00 0.00 46.19 47.16 3kfv s LEU 500 CO 0.18 -0.12 0.88 -1.61 -1.32 0.00 0.00 176.35 174.36 3kfv s GLU 501 N 0.71 4.23 1.02 1.98 0.41 -1.26 -1.30 118.70 124.49 3kfv s GLU 501 Ca -0.05 1.02 -0.13 0.00 -0.41 0.00 0.00 54.97 55.40 3kfv s GLU 501 Cb -0.06 -2.39 0.13 0.00 -1.78 0.00 0.00 34.13 30.02 3kfv s GLU 501 CO -0.04 0.10 0.60 -2.30 -0.49 0.00 0.00 175.26 173.13 3kfv n PRO 502 N -0.28 -1.03 -3.66 0.39 -0.02 -1.26 -4.39 135.00 124.74 3kfv n PRO 502 Ca 0.05 -0.26 -0.08 0.00 -2.02 0.00 0.00 63.50 61.19 3kfv n PRO 502 Cb 0.53 -2.00 -0.09 0.00 -0.02 0.00 0.00 33.50 31.92 3kfv n PRO 502 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3kfv s SER 503 N -2.19 -0.49 0.33 2.55 0.15 -0.88 -4.88 113.70 108.28 3kfv s SER 503 Ca 0.61 1.09 -0.28 0.00 0.70 0.00 0.00 55.95 58.07 3kfv s SER 503 Cb -0.20 1.38 -0.10 0.00 -1.71 0.00 0.00 66.02 65.39 3kfv s SER 503 CO 0.65 -0.22 1.24 -2.84 1.20 0.00 0.00 173.24 173.27 3kfv s PRO 504 N 2.35 4.39 -0.14 5.44 0.02 -1.26 -1.25 135.00 144.55 3kfv s PRO 504 Ca -0.04 2.08 0.16 0.00 0.02 0.00 0.00 61.00 63.22 3kfv s PRO 504 Cb -0.11 -3.06 -0.24 0.00 0.02 0.00 0.00 34.50 31.11 3kfv s PRO 504 CO -0.14 -0.11 0.30 -2.30 -0.33 0.00 0.00 177.00 174.42 3kfv n PRO 505 N 0.81 0.67 0.01 5.54 -0.02 -1.26 -4.71 135.00 136.05 3kfv n PRO 505 Ca 0.00 0.09 -0.22 0.00 -2.02 0.00 0.00 63.50 61.36 3kfv n PRO 505 Cb 0.43 -1.62 -0.14 0.00 -0.02 0.00 0.00 33.50 32.15 3kfv n PRO 505 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3kfv h SER 506 N 0.00 0.44 -1.39 2.55 0.87 -1.95 -3.48 113.55 110.60 3kfv h SER 506 Ca -0.44 -0.96 -0.75 0.00 -1.23 0.00 0.00 61.79 58.42 3kfv h SER 506 Cb 2.12 -0.14 0.04 0.00 -0.44 0.00 0.00 62.40 63.97 3kfv h SER 506 CO 0.05 1.85 0.50 0.61 -0.53 0.00 0.00 176.83 179.31 3kfv n GLY 507 N 1.98 0.35 3.88 5.77 0.00 -0.38 -1.94 105.19 114.85 3kfv n GLY 507 Ca -0.31 0.82 -0.35 0.00 0.00 0.00 0.00 46.02 46.17 3kfv n GLY 507 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kfv s LEU 508 N 1.47 4.38 0.18 0.99 1.43 0.49 -2.08 118.68 125.55 3kfv s LEU 508 Ca 0.92 0.60 -0.05 0.00 -1.03 0.00 0.00 54.13 54.57 3kfv s LEU 508 Cb -1.13 -2.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.42 3kfv s LEU 508 CO 0.59 0.27 0.42 -0.83 0.23 0.00 0.00 176.35 177.03 3kfv s GLY 509 N -1.57 2.11 0.23 -3.19 0.00 -1.26 -4.65 107.32 99.00 3kfv s GLY 509 Ca 0.26 -0.57 -0.11 0.00 0.00 0.00 0.00 44.72 44.30 3kfv s GLY 509 CO 0.15 -0.49 0.41 -0.11 0.00 0.00 0.00 173.10 173.06 3kfv s PHE 510 N -1.77 0.46 0.06 1.90 -0.71 -0.42 -4.88 117.98 112.61 3kfv s PHE 510 Ca 0.42 -0.80 0.04 0.00 -1.04 0.00 0.00 56.93 55.55 3kfv s PHE 510 Cb -0.12 0.07 -0.03 0.00 -1.21 0.00 0.00 43.02 41.74 3kfv s PHE 510 CO 0.26 -0.92 -0.11 0.99 -1.34 0.00 0.00 175.22 174.10 3kfv s THR 511 N -4.03 0.83 -0.44 -4.49 2.01 -1.26 -1.28 115.64 106.98 3kfv s THR 511 Ca 0.24 -1.28 -0.40 0.00 0.31 0.00 0.00 61.69 60.56 3kfv s THR 511 Cb 0.01 -0.93 -0.17 0.00 0.01 0.00 0.00 72.50 71.41 3kfv s THR 511 CO 0.08 -0.36 1.59 0.54 -0.69 0.00 0.00 174.62 175.78 3kfv n ARG 512 N 1.21 0.00 0.00 4.92 1.74 -1.25 -1.12 116.66 122.16 3kfv n ARG 512 Ca -0.21 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.87 3kfv n ARG 512 Cb 0.55 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 3kfv n ARG 512 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kfv n GLY 513 N 4.72 2.63 3.74 -0.13 0.00 0.60 -5.00 105.19 111.75 3kfv n GLY 513 Ca 0.35 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.01 3kfv n GLY 513 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kfv s ASP 514 N -1.55 4.70 -0.02 1.61 1.01 -0.27 -4.73 116.67 117.41 3kfv s ASP 514 Ca 0.00 2.49 0.06 0.00 0.71 0.00 0.00 52.55 55.81 3kfv s ASP 514 Cb 0.00 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.31 3kfv s ASP 514 CO 0.00 -1.93 -0.21 -0.69 0.21 0.00 0.00 175.17 172.55 3kfv s VAL 515 N -1.59 1.66 -0.07 -1.27 1.01 -1.26 -1.40 120.40 117.48 3kfv s VAL 515 Ca 0.79 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.91 3kfv s VAL 515 Cb -0.33 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.67 3kfv s VAL 515 CO 0.39 0.47 -0.15 -0.36 0.00 0.00 0.00 175.10 175.45 3kfv s PHE 516 N -0.38 1.68 -0.80 5.22 0.08 0.11 -4.58 117.98 119.30 3kfv s PHE 516 Ca 0.05 -0.63 -0.25 0.00 0.12 0.00 0.00 56.93 56.23 3kfv s PHE 516 Cb -0.09 -1.19 0.05 0.00 -0.57 0.00 0.00 43.02 41.22 3kfv s PHE 516 CO 0.00 -0.29 1.24 -1.58 -0.10 0.00 0.00 175.22 174.49 3kfv s HIS 517 N 0.55 2.48 -0.49 0.36 5.65 -0.05 -0.52 115.29 123.28 3kfv s HIS 517 Ca -0.15 -0.44 -0.28 0.00 0.25 0.00 0.00 55.06 54.45 3kfv s HIS 517 Cb -0.16 -4.55 0.00 0.00 -1.18 0.00 0.00 32.58 26.70 3kfv s HIS 517 CO 0.05 -1.91 1.53 0.08 -0.65 0.00 0.00 174.74 173.83 3kfv s VAL 518 N 4.98 3.72 0.06 0.89 1.01 0.05 -1.38 120.40 129.73 3kfv s VAL 518 Ca 0.35 0.65 -0.18 0.00 0.00 0.00 0.00 61.98 62.79 3kfv s VAL 518 Cb -0.08 -4.19 -0.13 0.00 0.00 0.00 0.00 36.38 31.98 3kfv s VAL 518 CO 0.06 -0.91 1.36 -0.07 0.00 0.00 0.00 175.10 175.54 3kfv h LEU 519 N 13.35 0.52 -7.50 3.92 3.38 -0.27 -2.93 115.31 125.78 3kfv h LEU 519 Ca -0.28 -0.49 -0.10 0.00 0.09 0.00 0.00 57.88 57.10 3kfv h LEU 519 Cb 1.12 -0.15 -0.19 0.00 0.09 0.00 0.00 40.66 41.53 3kfv h LEU 519 CO 1.14 0.91 -0.24 -0.62 0.09 0.00 0.00 178.44 179.71 3kfv s ASP 520 N -6.30 -0.19 -0.18 -0.43 2.15 -1.07 -4.49 116.67 106.16 3kfv s ASP 520 Ca -0.13 -0.00 -0.01 0.00 0.43 0.00 0.00 52.55 52.83 3kfv s ASP 520 Cb 0.06 0.34 -0.00 0.00 -0.30 0.00 0.00 42.92 43.03 3kfv s ASP 520 CO 0.78 -0.53 -0.12 0.42 -0.17 0.00 0.00 175.17 175.55 3kfv s THR 521 N -1.85 2.87 0.00 1.71 -4.23 -1.16 -1.40 115.64 111.57 3kfv s THR 521 Ca -0.10 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 3kfv s THR 521 Cb -0.03 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.56 3kfv s THR 521 CO 0.01 0.49 0.00 1.57 -0.54 0.00 0.00 174.62 176.15 3kfv n HIS 535 N 4.34 0.00 -4.47 3.99 -0.00 -0.42 -4.81 115.22 113.85 3kfv n HIS 535 Ca -0.19 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.65 3kfv n HIS 535 Cb 0.51 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.28 3kfv n HIS 535 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 3kfv s TRP 536 N -0.04 3.03 -0.29 1.57 0.51 -0.10 -4.85 118.94 118.77 3kfv s TRP 536 Ca 0.00 0.09 -0.22 0.00 -2.12 0.00 0.00 56.10 53.85 3kfv s TRP 536 Cb 0.00 -1.72 -0.01 0.00 -0.81 0.00 0.00 33.47 30.93 3kfv s TRP 536 CO 0.00 0.40 0.69 -1.17 -0.51 0.00 0.00 176.95 176.37 3kfv s LEU 537 N -1.00 4.10 0.19 2.99 2.96 -0.49 -1.61 118.68 125.83 3kfv s LEU 537 Ca 0.14 0.61 0.02 0.00 -0.22 0.00 0.00 54.13 54.68 3kfv s LEU 537 Cb -0.11 -2.93 -0.05 0.00 0.50 0.00 0.00 46.19 43.60 3kfv s LEU 537 CO 0.03 -0.50 0.01 0.00 -1.32 0.00 0.00 176.35 174.58 3kfv s ALA 538 N 2.71 1.45 -0.02 5.97 0.00 -0.44 0.46 121.76 131.90 3kfv s ALA 538 Ca 0.28 -1.64 0.02 0.00 0.00 0.00 0.00 51.96 50.62 3kfv s ALA 538 Cb -0.15 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.56 3kfv s ALA 538 CO 0.11 -0.32 -0.08 0.08 0.00 0.00 0.00 175.76 175.55 3kfv s VAL 539 N -3.63 0.67 0.00 0.00 1.01 -0.48 -1.60 120.40 116.37 3kfv s VAL 539 Ca 0.26 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.94 3kfv s VAL 539 Cb 0.06 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.84 3kfv s VAL 539 CO 0.06 0.21 0.00 -1.14 0.00 0.00 0.00 175.10 174.23 3kfv n ARG 540 N 3.31 1.94 -3.99 2.72 0.63 -0.81 -0.87 116.66 119.58 3kfv n ARG 540 Ca -0.18 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.64 3kfv n ARG 540 Cb 0.55 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.42 3kfv n ARG 540 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3kfv s GLY 542 N -0.47 0.85 0.65 5.14 0.00 -1.21 -0.74 107.32 111.55 3kfv s GLY 542 Ca 0.00 -1.08 0.33 0.00 0.00 0.00 0.00 44.72 43.97 3kfv s GLY 542 CO 0.00 -0.70 2.05 3.21 0.00 0.00 0.00 173.10 177.66 3kfv h ARG 543 N 2.15 0.00 0.00 2.90 3.08 -1.91 0.39 114.38 120.98 3kfv h ARG 543 Ca -0.28 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 3kfv h ARG 543 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.30 3kfv h ARG 543 CO 0.37 0.00 -0.04 0.38 -1.07 0.00 0.00 179.97 179.61 3kfv h ASP 544 N 0.00 0.00 -0.21 7.04 3.04 -1.98 -3.46 116.42 120.85 3kfv h ASP 544 Ca 0.02 0.00 -0.09 0.00 -3.24 0.00 0.00 57.03 53.73 3kfv h ASP 544 Cb 0.52 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.77 3kfv h ASP 544 CO -0.00 0.04 -0.08 0.18 -2.04 0.00 0.00 179.24 177.34 3kfv n LEU 545 N -3.18 0.03 -4.79 0.15 4.77 0.14 -5.01 117.00 109.10 3kfv n LEU 545 Ca -0.00 0.11 -0.36 0.00 -0.03 0.00 0.00 56.01 55.72 3kfv n LEU 545 Cb 0.27 -1.68 -0.07 0.00 -2.33 0.00 0.00 43.42 39.61 3kfv n LEU 545 CO 0.27 -0.57 -0.19 -0.13 -1.33 0.00 0.00 177.39 175.43 3kfv s ARG 546 N -1.81 3.68 0.30 3.23 1.81 -1.26 -4.88 118.95 120.03 3kfv s ARG 546 Ca 0.00 -0.21 -0.29 0.00 -1.72 0.00 0.00 55.73 53.51 3kfv s ARG 546 Cb 0.00 -3.22 -0.12 0.00 -0.45 0.00 0.00 34.95 31.15 3kfv s ARG 546 CO 0.00 0.58 1.39 0.39 -0.68 0.00 0.00 175.30 176.98 3kfv n GLU 547 N 2.62 2.23 0.00 3.54 1.02 -1.26 -3.29 120.64 125.50 3kfv n GLU 547 Ca -0.18 0.79 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 3kfv n GLU 547 Cb 0.54 -2.44 0.00 0.00 -0.02 0.00 0.00 31.44 29.52 3kfv n GLU 547 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3kfv n GLN 548 N 1.29 0.00 -1.69 3.49 6.02 0.08 -4.96 117.38 121.62 3kfv n GLN 548 Ca 0.07 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.63 3kfv n GLN 548 Cb 0.35 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.58 3kfv n GLN 548 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3kfv n GLU 549 N 0.00 2.69 -3.44 -1.09 4.71 -1.26 -4.62 120.64 117.63 3kfv n GLU 549 Ca 0.00 0.98 -0.33 0.00 -0.01 0.00 0.00 57.16 57.80 3kfv n GLU 549 Cb 0.00 -2.86 -0.05 0.00 -1.01 0.00 0.00 31.44 27.52 3kfv n GLU 549 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 3kfv s ARG 550 N 2.57 3.81 0.00 3.49 3.52 -1.26 -1.93 118.95 129.15 3kfv s ARG 550 Ca 0.82 0.27 0.00 0.00 -0.13 0.00 0.00 55.73 56.69 3kfv s ARG 550 Cb -0.52 -2.74 0.00 0.00 -1.56 0.00 0.00 34.95 30.13 3kfv s ARG 550 CO 0.38 0.38 0.00 0.41 -0.81 0.00 0.00 175.30 175.66 3kfv n GLY 551 N 0.12 -0.55 3.61 8.12 0.00 -0.63 -4.99 105.19 110.88 3kfv n GLY 551 Ca -0.01 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 3kfv n GLY 551 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kfv s ILE 552 N -3.08 3.70 0.03 -0.61 -1.09 -0.82 -1.33 121.20 118.01 3kfv s ILE 552 Ca 0.00 -0.85 -0.01 0.00 -2.23 0.00 0.00 60.65 57.56 3kfv s ILE 552 Cb 0.00 -2.65 -0.03 0.00 -1.58 0.00 0.00 42.46 38.21 3kfv s ILE 552 CO 0.00 0.32 -0.02 0.27 -1.23 0.00 0.00 174.94 174.28 3kfv s ILE 553 N -1.07 0.14 0.58 2.92 -4.36 -0.63 -0.38 121.20 118.41 3kfv s ILE 553 Ca 0.19 -1.19 -0.20 0.00 -0.26 0.00 0.00 60.65 59.19 3kfv s ILE 553 Cb -0.11 -0.69 -0.04 0.00 1.25 0.00 0.00 42.46 42.87 3kfv s ILE 553 CO 0.10 -0.66 1.23 -2.65 0.24 0.00 0.00 174.94 173.20 3kfv n PRO 554 N 1.09 1.31 -1.82 0.37 -0.02 -1.26 -0.92 135.00 133.76 3kfv n PRO 554 Ca -0.21 0.50 -0.30 0.00 -2.02 0.00 0.00 63.50 61.47 3kfv n PRO 554 Cb 0.57 -2.44 0.17 0.00 -0.02 0.00 0.00 33.50 31.78 3kfv n PRO 554 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3kfv s ASN 555 N -1.12 3.25 0.26 2.55 2.20 -1.26 -4.61 114.94 116.20 3kfv s ASN 555 Ca 0.76 0.46 -0.03 0.00 -0.94 0.00 0.00 52.86 53.11 3kfv s ASN 555 Cb -0.41 -0.66 0.45 0.00 -2.00 0.00 0.00 41.25 38.63 3kfv s ASN 555 CO 0.46 -2.67 1.80 -0.61 -2.94 0.00 0.00 177.10 173.15 3kfv h GLN 556 N -1.59 0.77 0.05 3.55 5.75 -1.98 0.18 115.11 121.84 3kfv h GLN 556 Ca -0.45 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.00 3kfv h GLN 556 Cb 1.27 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.64 3kfv h GLN 556 CO 0.46 0.51 -0.02 1.03 -2.65 0.00 0.00 178.83 178.15 3kfv h SER 557 N 0.79 -0.05 -0.29 -0.69 0.87 -2.00 -1.21 113.55 110.97 3kfv h SER 557 Ca 0.43 -0.45 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 3kfv h SER 557 Cb 0.45 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 3kfv h SER 557 CO -0.27 0.44 0.09 0.03 -0.53 0.00 0.00 176.83 176.58 3kfv h ARG 558 N -0.56 0.53 -0.65 2.24 -0.00 -1.87 -2.58 114.38 111.49 3kfv h ARG 558 Ca -0.01 -0.09 -0.05 0.00 -0.50 0.00 0.00 59.98 59.33 3kfv h ARG 558 Cb 0.50 -0.09 -0.03 0.00 0.00 0.00 0.00 29.97 30.35 3kfv h ARG 558 CO 0.01 0.50 0.19 0.00 0.00 0.00 0.00 179.97 180.67 3kfv h ALA 559 N 1.57 0.85 -0.63 0.04 0.00 -0.50 -1.01 119.26 119.59 3kfv h ALA 559 Ca 0.12 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3kfv h ALA 559 Cb 0.21 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3kfv h ALA 559 CO -0.00 0.54 0.10 1.05 0.00 0.00 0.00 179.25 180.93 3kfv h GLU 560 N 0.95 1.02 -0.22 0.00 9.09 -0.84 -1.81 114.58 122.76 3kfv h GLU 560 Ca 0.21 -0.26 -0.04 0.00 0.05 0.00 0.00 59.36 59.32 3kfv h GLU 560 Cb 0.31 -0.13 -0.01 0.00 -1.65 0.00 0.00 28.75 27.28 3kfv h GLU 560 CO -0.00 0.94 -0.00 1.96 0.05 0.00 0.00 179.01 181.96 3kfv h GLN 561 N 0.96 0.39 -0.05 1.06 4.20 -1.23 -1.20 115.11 119.25 3kfv h GLN 561 Ca 0.19 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.79 3kfv h GLN 561 Cb 0.42 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 3kfv h GLN 561 CO 0.01 0.58 0.04 -0.07 -0.67 0.00 0.00 178.83 178.72 3kfv h LEU 562 N 0.16 0.00 0.05 1.46 3.38 -1.01 0.30 115.31 119.66 3kfv h LEU 562 Ca 0.06 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 3kfv h LEU 562 Cb 0.40 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.16 3kfv h LEU 562 CO 0.01 0.00 -0.35 0.00 0.09 0.00 0.00 178.44 178.19 3kfv h ALA 563 N 1.97 -0.03 -0.80 1.53 0.00 -1.06 -2.27 119.26 118.60 3kfv h ALA 563 Ca 0.02 -0.57 0.11 0.00 0.00 0.00 0.00 54.91 54.48 3kfv h ALA 563 Cb 0.10 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.85 3kfv h ALA 563 CO -0.00 0.16 0.42 0.77 0.00 0.00 0.00 179.25 180.60 3kfv h SER 564 N -0.67 0.56 0.12 0.00 0.02 -0.98 -0.63 113.55 111.97 3kfv h SER 564 Ca -0.06 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3kfv h SER 564 Cb 1.25 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.73 3kfv h SER 564 CO 0.07 0.29 -0.22 -0.07 -1.14 0.00 0.00 176.83 175.75 3kfv h LEU 565 N 0.67 -0.62 -2.07 5.07 3.38 -1.00 -1.86 115.31 118.89 3kfv h LEU 565 Ca 0.41 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.43 3kfv h LEU 565 Cb 0.48 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 3kfv h LEU 565 CO -0.30 -0.31 -0.08 -0.08 0.09 0.00 0.00 178.44 177.76 3kfv h GLU 566 N -0.42 0.00 0.16 1.13 4.81 -0.72 -0.26 114.58 119.29 3kfv h GLU 566 Ca 0.03 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3kfv h GLU 566 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3kfv h GLU 566 CO -0.12 0.08 -0.08 0.00 -0.73 0.00 0.00 179.01 178.17 3kfv h ALA 567 N 1.92 -0.22 -0.43 2.92 0.00 -0.69 -3.10 119.26 119.66 3kfv h ALA 567 Ca -0.00 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.74 3kfv h ALA 567 Cb 0.21 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3kfv h ALA 567 CO 0.01 -0.42 0.29 0.00 0.00 0.00 0.00 179.25 179.13 3kfv h ALA 568 N 0.11 1.78 -0.30 0.00 0.00 -0.52 0.13 119.26 120.46 3kfv h ALA 568 Ca -0.02 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.94 3kfv h ALA 568 Cb 0.47 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3kfv h ALA 568 CO 0.04 0.18 0.21 1.96 0.00 0.00 0.00 179.25 181.63 3kfv h GLN 569 N 0.50 0.06 -6.11 0.00 4.20 -1.04 -3.29 115.11 109.45 3kfv h GLN 569 Ca 0.17 -0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.32 3kfv h GLN 569 Cb 0.06 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 27.74 3kfv h GLN 569 CO -0.04 0.04 1.34 1.03 -0.67 0.00 0.00 178.83 180.53 3kfv s ARG 570 N -5.10 3.39 0.00 1.46 0.52 0.45 -5.10 118.95 114.57 3kfv s ARG 570 Ca -0.05 -0.84 0.00 0.00 -0.52 0.00 0.00 55.73 54.31 3kfv s ARG 570 Cb 0.18 -5.11 0.00 0.00 0.52 0.00 0.00 34.95 30.54 3kfv s ARG 570 CO 0.71 -2.34 0.00 0.00 0.02 0.00 0.00 175.30 173.69 3kfv n ALA 571 N 9.62 0.00 -1.45 2.13 0.00 -1.24 -4.99 120.51 124.58 3kfv n ALA 571 Ca 0.29 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.27 3kfv n ALA 571 Cb 0.50 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.83 3kfv n ALA 571 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3kfv n GLU 607 N 0.00 0.20 -2.56 0.00 4.07 -1.26 -5.11 120.64 115.98 3kfv n GLU 607 Ca 0.00 0.02 -0.43 0.00 -0.06 0.00 0.00 57.16 56.69 3kfv n GLU 607 Cb 0.00 -1.78 -0.02 0.00 -0.06 0.00 0.00 31.44 29.57 3kfv n GLU 607 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 3kfv s ASP 608 N 8.59 6.93 0.00 4.31 2.15 -1.26 -4.92 116.67 132.47 3kfv s ASP 608 Ca 1.27 1.30 0.22 0.00 0.43 0.00 0.00 52.55 55.76 3kfv s ASP 608 Cb -1.16 -2.54 0.51 0.00 -0.30 0.00 0.00 42.92 39.43 3kfv s ASP 608 CO 0.50 -0.84 1.44 0.18 -0.17 0.00 0.00 175.17 176.28 3kfv n LEU 609 N 6.82 3.62 0.09 -1.34 4.77 -1.26 -4.62 117.00 125.08 3kfv n LEU 609 Ca 0.13 -1.76 0.08 0.00 -0.03 0.00 0.00 56.01 54.43 3kfv n LEU 609 Cb 0.46 -0.35 0.55 0.00 -2.33 0.00 0.00 43.42 41.74 3kfv n LEU 609 CO 0.57 0.85 1.13 0.77 -1.33 0.00 0.00 177.39 179.39 3kfv h SER 610 N 4.14 0.23 0.10 -1.43 4.64 -1.98 -0.96 113.55 118.28 3kfv h SER 610 Ca 0.00 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3kfv h SER 610 Cb 0.96 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 3kfv h SER 610 CO 0.00 0.16 -0.28 0.00 -0.87 0.00 0.00 176.83 175.83 3kfv h ALA 611 N 1.83 1.23 -0.11 5.18 0.00 -2.01 -2.72 119.26 122.66 3kfv h ALA 611 Ca 0.12 -0.33 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 3kfv h ALA 611 Cb 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3kfv h ALA 611 CO -0.02 0.51 -0.74 -0.07 0.00 0.00 0.00 179.25 178.93 3kfv h LEU 612 N 0.26 0.67 -1.35 0.00 3.38 -1.54 -0.99 115.31 115.74 3kfv h LEU 612 Ca 0.04 -0.43 0.03 0.00 0.09 0.00 0.00 57.88 57.61 3kfv h LEU 612 Cb 0.64 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 3kfv h LEU 612 CO 0.05 1.19 0.46 0.74 0.09 0.00 0.00 178.44 180.97 3kfv h THR 613 N 0.39 1.11 0.24 0.22 2.02 -1.22 0.57 112.91 116.24 3kfv h THR 613 Ca -0.04 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 3kfv h THR 613 Cb 1.33 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 3kfv h THR 613 CO 0.14 0.16 -0.11 0.03 0.37 0.00 0.00 175.52 176.10 3kfv h ARG 614 N 0.86 -0.31 -0.08 6.66 2.47 -1.42 -1.08 114.38 121.47 3kfv h ARG 614 Ca 0.28 0.02 0.02 0.00 -1.26 0.00 0.00 59.98 59.04 3kfv h ARG 614 Cb 0.03 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.42 3kfv h ARG 614 CO -0.07 0.01 0.14 1.96 0.56 0.00 0.00 179.97 182.56 3kfv h GLN 615 N -0.97 0.00 0.00 0.04 4.20 -0.93 0.34 115.11 117.78 3kfv h GLN 615 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3kfv h GLN 615 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3kfv h GLN 615 CO 0.05 0.00 -1.12 0.41 -0.67 0.00 0.00 178.83 177.51 3kfv n GLY 616 N -1.29 -1.25 2.43 3.46 0.00 0.20 -4.98 105.19 103.75 3kfv n GLY 616 Ca -0.01 -0.37 -0.19 0.00 0.00 0.00 0.00 46.02 45.45 3kfv n GLY 616 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kfv n ARG 617 N -2.17 -1.89 -2.22 1.61 1.74 0.11 -4.98 116.66 108.86 3kfv n ARG 617 Ca 0.01 0.92 -0.39 0.00 -0.77 0.00 0.00 57.85 57.62 3kfv n ARG 617 Cb 0.48 -5.50 -0.02 0.00 -1.02 0.00 0.00 32.46 26.40 3kfv n ARG 617 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3kfv s TYR 618 N -2.98 3.05 0.57 -1.55 2.02 -0.92 -5.04 117.35 112.50 3kfv s TYR 618 Ca 0.03 1.51 -0.08 0.00 -0.37 0.00 0.00 57.07 58.17 3kfv s TYR 618 Cb -0.01 -3.50 -0.02 0.00 -0.40 0.00 0.00 41.96 38.03 3kfv s TYR 618 CO 0.04 -1.52 0.92 -1.25 -1.57 0.00 0.00 175.55 172.17 3kfv s PRO 619 N -2.13 3.37 0.25 -1.71 0.05 -1.26 -4.90 135.00 128.66 3kfv s PRO 619 Ca 0.55 0.37 -0.05 0.00 0.05 0.00 0.00 61.00 61.91 3kfv s PRO 619 Cb -0.34 -2.22 0.49 0.00 0.05 0.00 0.00 34.50 32.48 3kfv s PRO 619 CO 0.43 -0.51 1.64 -1.35 0.05 0.00 0.00 177.00 177.27 3kfv h PRO 620 N -0.12 0.13 -5.49 0.56 0.11 -1.92 -3.38 132.00 121.89 3kfv h PRO 620 Ca -0.45 -0.01 -0.67 0.00 0.11 0.00 0.00 66.00 64.98 3kfv h PRO 620 Cb 1.22 -0.03 -0.29 0.00 0.11 0.00 0.00 31.00 32.00 3kfv h PRO 620 CO 0.62 0.09 -0.82 0.71 -0.21 0.00 0.00 178.00 178.38 3kfv s TYR 621 N -6.08 2.66 -0.22 0.65 2.02 -1.26 -0.89 117.35 114.24 3kfv s TYR 621 Ca -0.13 -0.77 0.01 0.00 -0.37 0.00 0.00 57.07 55.81 3kfv s TYR 621 Cb 0.23 -1.75 0.05 0.00 -0.40 0.00 0.00 41.96 40.09 3kfv s TYR 621 CO 0.76 -0.26 -0.11 -2.00 -1.57 0.00 0.00 175.55 172.37 3kfv s GLU 622 N 0.20 2.12 0.12 -0.62 2.12 -0.37 -4.95 118.70 117.32 3kfv s GLU 622 Ca -0.11 -1.01 -0.31 0.00 0.36 0.00 0.00 54.97 53.89 3kfv s GLU 622 Cb -0.16 -2.60 -0.09 0.00 0.26 0.00 0.00 34.13 31.55 3kfv s GLU 622 CO 0.06 -0.48 1.54 1.03 -0.54 0.00 0.00 175.26 176.88 3kfv s ARG 623 N 1.30 4.24 0.16 4.30 0.52 -1.26 -0.14 118.95 128.07 3kfv s ARG 623 Ca -0.04 2.26 0.08 0.00 -0.52 0.00 0.00 55.73 57.51 3kfv s ARG 623 Cb -0.17 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 31.93 3kfv s ARG 623 CO -0.07 -0.60 -0.17 0.14 0.02 0.00 0.00 175.30 174.61 3kfv s VAL 624 N 1.64 1.73 0.22 3.52 -7.23 -0.71 -1.44 120.40 118.11 3kfv s VAL 624 Ca 0.69 -1.92 0.04 0.00 -1.81 0.00 0.00 61.98 58.98 3kfv s VAL 624 Cb -0.40 -1.81 -0.05 0.00 0.56 0.00 0.00 36.38 34.67 3kfv s VAL 624 CO 0.31 -0.37 -0.02 0.68 -0.31 0.00 0.00 175.10 175.39 3kfv s VAL 625 N -2.17 1.08 -0.16 1.32 -7.23 0.36 -4.11 120.40 109.49 3kfv s VAL 625 Ca 0.15 -2.04 -0.16 0.00 -1.81 0.00 0.00 61.98 58.12 3kfv s VAL 625 Cb -0.05 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 3kfv s VAL 625 CO 0.06 -0.40 0.39 -0.76 -0.31 0.00 0.00 175.10 174.08 3kfv s LEU 626 N -3.29 4.23 0.05 1.32 1.43 -1.26 -1.03 118.68 120.13 3kfv s LEU 626 Ca 0.26 0.62 -0.04 0.00 -1.03 0.00 0.00 54.13 53.94 3kfv s LEU 626 Cb 0.05 -2.53 -0.02 0.00 0.03 0.00 0.00 46.19 43.72 3kfv s LEU 626 CO 0.07 0.01 0.06 -0.13 0.23 0.00 0.00 176.35 176.60 3kfv s ARG 627 N 0.78 0.61 0.30 1.70 1.81 -0.40 -4.91 118.95 118.84 3kfv s ARG 627 Ca 0.21 -0.90 -0.29 0.00 -1.72 0.00 0.00 55.73 53.03 3kfv s ARG 627 Cb -0.14 0.23 -0.10 0.00 -0.45 0.00 0.00 34.95 34.49 3kfv s ARG 627 CO 0.07 -0.14 1.21 -2.00 -0.68 0.00 0.00 175.30 173.76 3kfv s GLU 628 N -3.04 4.49 0.31 3.54 2.12 -1.26 0.95 118.70 125.79 3kfv s GLU 628 Ca -0.01 2.02 -0.30 0.00 0.36 0.00 0.00 54.97 57.04 3kfv s GLU 628 Cb 0.01 -3.13 -0.12 0.00 0.26 0.00 0.00 34.13 31.16 3kfv s GLU 628 CO -0.07 -0.01 1.56 0.00 -0.54 0.00 0.00 175.26 176.21 3kfv n ALA 629 N 1.06 2.43 -0.73 6.30 0.00 -1.26 -4.86 120.51 123.45 3kfv n ALA 629 Ca -0.00 0.37 -0.15 0.00 0.00 0.00 0.00 53.44 53.66 3kfv n ALA 629 Cb 0.43 -2.44 0.18 0.00 0.00 0.00 0.00 19.45 17.61 3kfv n ALA 629 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kfv n SER 630 N 1.84 3.81 -3.55 0.00 3.41 -1.26 -4.86 113.62 113.00 3kfv n SER 630 Ca 0.07 -3.19 -0.11 0.00 -0.26 0.00 0.00 58.87 55.39 3kfv n SER 630 Cb 0.37 -0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 63.53 3kfv n SER 630 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3kfv s PHE 631 N -2.59 -0.34 -0.22 7.33 -0.12 -1.26 -5.13 117.98 115.65 3kfv s PHE 631 Ca 0.45 0.06 -0.29 0.00 -0.05 0.00 0.00 56.93 57.10 3kfv s PHE 631 Cb 0.37 0.40 0.00 0.00 -0.63 0.00 0.00 43.02 43.17 3kfv s PHE 631 CO 0.09 -0.79 1.12 0.15 -0.05 0.00 0.00 175.22 175.75 3kfv s LYS 632 N -3.79 4.22 0.27 1.99 1.02 -1.26 -4.99 119.74 117.21 3kfv s LYS 632 Ca 0.03 1.42 -0.29 0.00 0.02 0.00 0.00 55.97 57.15 3kfv s LYS 632 Cb 0.00 -3.69 -0.09 0.00 -0.52 0.00 0.00 37.83 33.52 3kfv s LYS 632 CO -0.12 -0.69 1.21 1.03 -0.92 0.00 0.00 175.35 175.86 3kfv s ARG 633 N 3.36 4.49 0.67 1.68 0.52 -1.26 -4.68 118.95 123.74 3kfv s ARG 633 Ca 0.48 1.98 -0.17 0.00 -0.52 0.00 0.00 55.73 57.50 3kfv s ARG 633 Cb -0.17 -3.16 -0.00 0.00 0.52 0.00 0.00 34.95 32.14 3kfv s ARG 633 CO 0.10 -0.02 1.19 -2.30 0.02 0.00 0.00 175.30 174.29 3kfv n PRO 634 N 1.42 0.88 -4.19 3.54 -0.02 -1.26 -4.44 135.00 130.93 3kfv n PRO 634 Ca 0.01 0.36 -0.32 0.00 -2.02 0.00 0.00 63.50 61.53 3kfv n PRO 634 Cb 0.43 -2.43 -0.16 0.00 -0.02 0.00 0.00 33.50 31.32 3kfv n PRO 634 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kfv s VAL 635 N -1.55 1.86 -0.28 -1.45 1.01 0.56 -0.42 120.40 120.13 3kfv s VAL 635 Ca 0.80 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.85 3kfv s VAL 635 Cb -0.37 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 3kfv s VAL 635 CO 0.44 0.51 0.16 -0.69 0.00 0.00 0.00 175.10 175.52 3kfv s VAL 636 N 1.26 5.01 -0.32 2.92 1.01 0.13 -0.39 120.40 130.01 3kfv s VAL 636 Ca 0.02 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 3kfv s VAL 636 Cb -0.13 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 3kfv s VAL 636 CO -0.10 0.23 0.19 -0.63 0.00 0.00 0.00 175.10 174.79 3kfv s ILE 637 N 1.71 4.90 0.13 2.22 -1.09 -0.75 -0.93 121.20 127.39 3kfv s ILE 637 Ca 0.07 -0.32 0.07 0.00 -2.23 0.00 0.00 60.65 58.24 3kfv s ILE 637 Cb -0.16 -3.50 -0.04 0.00 -1.58 0.00 0.00 42.46 37.18 3kfv s ILE 637 CO 0.09 0.04 -0.07 -0.76 -1.23 0.00 0.00 174.94 173.01 3kfv s LEU 638 N 1.66 3.13 0.00 2.97 1.43 0.54 -4.66 118.68 123.75 3kfv s LEU 638 Ca 0.05 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 3kfv s LEU 638 Cb -0.17 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.18 3kfv s LEU 638 CO 0.08 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.41 3kfv n GLY 639 N 0.37 0.81 0.87 -3.19 0.00 -1.26 -1.68 105.19 101.10 3kfv n GLY 639 Ca -0.12 -2.27 0.01 0.00 0.00 0.00 0.00 46.02 43.64 3kfv n GLY 639 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kfv n PRO 640 N -0.72 1.91 -0.39 1.61 -0.02 -1.26 -3.39 135.00 132.74 3kfv n PRO 640 Ca 0.00 -0.77 0.00 0.00 -2.02 0.00 0.00 63.50 60.72 3kfv n PRO 640 Cb 0.00 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 3kfv n PRO 640 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3kfv n VAL 641 N 0.15 0.04 -0.22 -1.45 0.24 -1.26 -4.88 118.33 110.95 3kfv n VAL 641 Ca 0.07 -0.04 0.02 0.00 -2.04 0.00 0.00 64.34 62.36 3kfv n VAL 641 Cb 0.50 0.59 0.13 0.00 -1.47 0.00 0.00 33.84 33.59 3kfv n VAL 641 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kfv h ALA 642 N 0.00 0.74 -0.02 2.33 0.00 -1.82 0.35 119.26 120.84 3kfv h ALA 642 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kfv h ALA 642 Cb 1.31 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 3kfv h ALA 642 CO 0.00 -0.36 0.01 0.38 0.00 0.00 0.00 179.25 179.28 3kfv h ASP 643 N 0.19 0.03 -0.18 0.00 2.03 -1.89 -3.06 116.42 113.53 3kfv h ASP 643 Ca 0.35 -0.10 -0.00 0.00 -0.73 0.00 0.00 57.03 56.55 3kfv h ASP 643 Cb 0.58 -0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 39.06 3kfv h ASP 643 CO -0.50 0.12 0.11 0.40 -1.03 0.00 0.00 179.24 178.34 3kfv h ILE 644 N -0.07 1.08 0.00 4.15 2.04 -1.74 -2.03 117.51 120.94 3kfv h ILE 644 Ca 0.01 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3kfv h ILE 644 Cb 0.10 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3kfv h ILE 644 CO -0.00 0.07 0.00 0.00 0.00 0.00 0.00 178.15 178.22 3kfv n ALA 645 N -2.16 0.95 0.00 1.87 0.00 0.12 -1.86 120.51 119.42 3kfv n ALA 645 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3kfv n ALA 645 Cb 0.05 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3kfv n ALA 645 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kfv n GLN 647 N 0.50 0.00 -0.11 0.00 -0.00 -0.76 -2.02 117.38 114.98 3kfv n GLN 647 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.00 57.00 3kfv n GLN 647 Cb 0.00 0.00 0.26 0.00 -0.00 0.00 0.00 30.24 30.50 3kfv n GLN 647 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 3kfv h LYS 648 N 0.00 0.78 -0.03 2.61 1.57 -1.63 -0.79 116.57 119.08 3kfv h LYS 648 Ca 0.00 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3kfv h LYS 648 Cb 0.00 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 3kfv h LYS 648 CO 0.00 0.63 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.44 3kfv h LEU 649 N 0.78 0.05 -0.78 2.94 3.38 -1.67 -1.59 115.31 118.41 3kfv h LEU 649 Ca 0.19 -0.32 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 3kfv h LEU 649 Cb 0.12 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3kfv h LEU 649 CO -0.02 0.35 -0.60 0.71 0.09 0.00 0.00 178.44 178.97 3kfv h THR 650 N -0.26 1.41 -0.11 0.22 1.35 -1.82 -3.05 112.91 110.65 3kfv h THR 650 Ca 0.01 -2.08 -0.16 0.00 -0.55 0.00 0.00 66.41 63.64 3kfv h THR 650 Cb 0.33 2.13 -0.01 0.00 -1.73 0.00 0.00 68.15 68.86 3kfv h THR 650 CO 0.00 0.59 -0.60 0.00 -0.25 0.00 0.00 175.52 175.26 3kfv h ALA 651 N 1.40 0.77 -0.27 6.62 0.00 -1.11 -2.38 119.26 124.29 3kfv h ALA 651 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3kfv h ALA 651 Cb 1.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3kfv h ALA 651 CO 0.08 0.72 0.00 -1.91 0.00 0.00 0.00 179.25 178.14 3kfv n GLU 652 N -3.90 1.67 0.00 0.00 2.13 -0.60 -5.08 120.64 114.85 3kfv n GLU 652 Ca -0.03 -0.99 0.00 0.00 0.66 0.00 0.00 57.16 56.81 3kfv n GLU 652 Cb 0.62 -1.24 0.00 0.00 0.27 0.00 0.00 31.44 31.10 3kfv n GLU 652 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3kfv n PRO 654 N 0.29 0.00 0.00 5.31 -0.02 -0.90 -5.09 135.00 134.59 3kfv n PRO 654 Ca 0.09 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.69 3kfv n PRO 654 Cb 0.25 0.00 0.28 0.00 -0.02 0.00 0.00 33.50 34.01 3kfv n PRO 654 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3kfv n ASP 655 N 0.00 0.82 0.00 2.55 5.75 -1.26 -4.09 116.55 120.32 3kfv n ASP 655 Ca 0.00 -0.63 0.00 0.00 -0.01 0.00 0.00 54.79 54.15 3kfv n ASP 655 Cb 0.00 0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 3kfv n ASP 655 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kfv n GLN 656 N -1.05 2.89 -3.83 0.11 6.02 -1.26 -4.73 117.38 115.53 3kfv n GLN 656 Ca 0.09 -0.12 -0.12 0.00 -0.01 0.00 0.00 57.00 56.83 3kfv n GLN 656 Cb 0.35 -0.52 -0.13 0.00 1.02 0.00 0.00 30.24 30.95 3kfv n GLN 656 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3kfv s PHE 657 N -0.45 -0.13 -0.05 1.08 0.08 -1.26 -0.64 117.98 116.61 3kfv s PHE 657 Ca 0.00 0.31 -0.04 0.00 0.12 0.00 0.00 56.93 57.32 3kfv s PHE 657 Cb 0.00 0.04 0.02 0.00 -0.57 0.00 0.00 43.02 42.51 3kfv s PHE 657 CO 0.00 -0.06 0.14 -2.00 -0.10 0.00 0.00 175.22 173.19 3kfv s GLU 658 N 0.07 0.14 0.01 0.44 2.12 -0.98 -4.62 118.70 115.89 3kfv s GLU 658 Ca -0.00 0.23 -0.30 0.00 0.36 0.00 0.00 54.97 55.25 3kfv s GLU 658 Cb -0.01 0.02 -0.05 0.00 0.26 0.00 0.00 34.13 34.35 3kfv s GLU 658 CO 0.00 -0.05 1.27 0.42 -0.54 0.00 0.00 175.26 176.36 3kfv s ILE 659 N 0.33 3.96 -0.04 -3.70 1.01 -1.26 -1.48 121.20 120.02 3kfv s ILE 659 Ca -0.02 1.36 -0.30 0.00 0.00 0.00 0.00 60.65 61.69 3kfv s ILE 659 Cb -0.03 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 3kfv s ILE 659 CO -0.01 0.04 1.44 0.00 0.00 0.00 0.00 174.94 176.41 3kfv s ALA 660 N 1.79 3.60 -0.23 9.38 0.00 -0.61 -4.87 121.76 130.82 3kfv s ALA 660 Ca 0.60 0.83 -0.29 0.00 0.00 0.00 0.00 51.96 53.10 3kfv s ALA 660 Cb -0.29 -3.63 0.01 0.00 0.00 0.00 0.00 23.12 19.21 3kfv s ALA 660 CO 0.26 -1.06 1.06 -1.21 0.00 0.00 0.00 175.76 174.82 3kfv s GLU 661 N 2.91 4.24 0.09 0.00 0.41 -1.26 -4.89 118.70 120.19 3kfv s GLU 661 Ca 0.65 1.35 0.09 0.00 -0.41 0.00 0.00 54.97 56.65 3kfv s GLU 661 Cb -0.30 -3.66 -0.04 0.00 -1.78 0.00 0.00 34.13 28.35 3kfv s GLU 661 CO 0.25 -0.66 -0.23 0.95 -0.49 0.00 0.00 175.26 175.08 3kfv s THR 662 N 3.27 2.51 -0.16 3.63 -4.23 -1.26 -4.85 115.64 114.55 3kfv s THR 662 Ca 0.45 -1.48 0.11 0.00 -1.18 0.00 0.00 61.69 59.58 3kfv s THR 662 Cb -0.15 -2.08 -0.17 0.00 1.34 0.00 0.00 72.50 71.44 3kfv s THR 662 CO 0.08 0.21 0.00 0.52 -0.54 0.00 0.00 174.62 174.88 3kfv n VAL 663 N 1.21 1.05 -0.94 2.29 0.31 -1.26 -5.07 118.33 115.93 3kfv n VAL 663 Ca -0.17 -0.59 0.00 0.00 -0.01 0.00 0.00 64.34 63.58 3kfv n VAL 663 Cb 0.52 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 3kfv n VAL 663 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3kfv n ILE 672 N -2.67 -3.46 -4.49 2.52 -6.64 -1.26 -5.16 119.36 98.20 3kfv n ILE 672 Ca -0.27 0.42 -0.21 0.00 -1.77 0.00 0.00 62.75 60.92 3kfv n ILE 672 Cb 0.96 -2.93 -0.15 0.00 -1.44 0.00 0.00 39.64 36.08 3kfv n ILE 672 CO 0.00 0.00 0.00 -0.51 -1.77 0.00 0.00 176.55 174.27 3kfv s ILE 673 N -0.07 0.92 -0.09 7.28 1.10 -1.26 -5.11 121.20 123.96 3kfv s ILE 673 Ca 0.00 -0.45 0.00 0.00 -0.51 0.00 0.00 60.65 59.69 3kfv s ILE 673 Cb 0.00 -0.80 -0.03 0.00 0.15 0.00 0.00 42.46 41.79 3kfv s ILE 673 CO 0.00 0.27 -0.08 -0.54 -2.11 0.00 0.00 174.94 172.48 3kfv s LYS 674 N 0.03 3.02 0.26 3.50 1.02 -1.26 -5.02 119.74 121.30 3kfv s LYS 674 Ca -0.01 -0.58 -0.01 0.00 0.02 0.00 0.00 55.97 55.39 3kfv s LYS 674 Cb -0.08 -2.64 0.54 0.00 -0.52 0.00 0.00 37.83 35.13 3kfv s LYS 674 CO 0.00 0.49 1.76 1.25 -0.92 0.00 0.00 175.35 177.94 3kfv h LEU 675 N 5.81 0.53 -1.69 3.17 5.85 -2.01 -1.70 115.31 125.29 3kfv h LEU 675 Ca -0.41 0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.48 3kfv h LEU 675 Cb 1.18 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 3kfv h LEU 675 CO 0.55 0.22 0.35 -0.78 -0.34 0.00 0.00 178.44 178.44 3kfv h ASP 676 N 0.62 0.33 -0.29 1.25 3.58 -1.98 0.21 116.42 120.13 3kfv h ASP 676 Ca 0.47 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.94 3kfv h ASP 676 Cb 0.66 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.62 3kfv h ASP 676 CO -0.36 0.21 0.16 0.74 -2.88 0.00 0.00 179.24 177.10 3kfv h THR 677 N 0.37 1.01 -0.24 2.25 2.02 -1.71 0.15 112.91 116.76 3kfv h THR 677 Ca 0.23 -0.11 -0.04 0.00 0.77 0.00 0.00 66.41 67.26 3kfv h THR 677 Cb 0.44 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3kfv h THR 677 CO -0.06 0.06 -0.00 0.58 0.37 0.00 0.00 175.52 176.47 3kfv h VAL 678 N 0.33 1.26 -0.56 3.16 2.07 -1.10 -2.92 116.25 118.49 3kfv h VAL 678 Ca 0.12 -0.91 0.08 0.00 0.82 0.00 0.00 66.70 66.80 3kfv h VAL 678 Cb 0.02 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 3kfv h VAL 678 CO -0.07 0.29 0.21 -0.09 0.02 0.00 0.00 177.57 177.93 3kfv h ARG 679 N 0.20 0.39 -0.95 1.57 2.43 -0.79 -1.20 114.38 116.02 3kfv h ARG 679 Ca 0.07 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 3kfv h ARG 679 Cb 0.42 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.83 3kfv h ARG 679 CO 0.01 0.26 0.63 0.28 -1.51 0.00 0.00 179.97 179.64 3kfv h VAL 680 N 0.40 1.23 -0.24 0.20 2.07 -0.87 -1.73 116.25 117.31 3kfv h VAL 680 Ca 0.27 -0.44 -0.19 0.00 0.82 0.00 0.00 66.70 67.16 3kfv h VAL 680 Cb 0.30 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 3kfv h VAL 680 CO -0.26 0.23 -0.60 0.40 0.02 0.00 0.00 177.57 177.36 3kfv h ILE 681 N 1.27 1.28 0.00 4.57 2.04 -1.23 -2.86 117.51 122.60 3kfv h ILE 681 Ca 0.36 -1.80 -0.03 0.00 1.00 0.00 0.00 64.86 64.39 3kfv h ILE 681 Cb -0.12 1.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3kfv h ILE 681 CO -0.08 0.58 -0.13 0.00 0.00 0.00 0.00 178.15 178.52 3kfv h ALA 682 N 0.71 1.16 -0.03 1.87 0.00 -0.95 -2.54 119.26 119.48 3kfv h ALA 682 Ca -0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 3kfv h ALA 682 Cb 1.20 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3kfv h ALA 682 CO 0.13 0.16 -0.62 0.93 0.00 0.00 0.00 179.25 179.85 3kfv h GLU 683 N 0.00 0.10 0.00 0.00 3.07 -1.09 -2.00 114.58 114.66 3kfv h GLU 683 Ca -0.00 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 3kfv h GLU 683 Cb 0.44 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 3kfv h GLU 683 CO 0.02 0.69 0.00 1.63 -1.40 0.00 0.00 179.01 179.94 3kfv n LYS 684 N -3.83 0.79 -3.59 2.33 5.02 -0.97 -4.87 118.16 113.04 3kfv n LYS 684 Ca -0.02 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.04 3kfv n LYS 684 Cb 0.62 -1.01 0.08 0.00 -0.02 0.00 0.00 35.03 34.69 3kfv n LYS 684 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3kfv n ASP 685 N -0.51 -5.65 -4.30 4.39 2.03 -0.75 -5.02 116.55 106.74 3kfv n ASP 685 Ca 0.00 -0.57 -0.20 0.00 0.52 0.00 0.00 54.79 54.55 3kfv n ASP 685 Cb 0.00 -4.99 -0.11 0.00 -0.72 0.00 0.00 41.12 35.30 3kfv n ASP 685 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3kfv s LYS 686 N -6.19 1.18 -0.05 -0.67 1.02 -1.13 -4.81 119.74 109.10 3kfv s LYS 686 Ca 0.50 -1.37 -0.30 0.00 0.02 0.00 0.00 55.97 54.82 3kfv s LYS 686 Cb -0.22 -1.12 -0.04 0.00 -0.52 0.00 0.00 37.83 35.92 3kfv s LYS 686 CO 0.74 0.22 1.26 -1.01 -0.92 0.00 0.00 175.35 175.64 3kfv s HIS 687 N -2.24 3.06 -0.21 3.18 3.76 0.19 -3.91 115.29 119.12 3kfv s HIS 687 Ca 0.14 1.08 -0.27 0.00 -0.15 0.00 0.00 55.06 55.86 3kfv s HIS 687 Cb -0.04 -3.50 -0.00 0.00 1.11 0.00 0.00 32.58 30.15 3kfv s HIS 687 CO 0.05 -1.67 0.95 0.00 -0.85 0.00 0.00 174.74 173.21 3kfv s ALA 688 N 2.36 3.62 -0.13 -1.40 0.00 -1.26 -2.31 121.76 122.64 3kfv s ALA 688 Ca 0.58 0.09 -0.20 0.00 0.00 0.00 0.00 51.96 52.43 3kfv s ALA 688 Cb -0.26 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 3kfv s ALA 688 CO 0.23 -0.90 0.57 -0.51 0.00 0.00 0.00 175.76 175.15 3kfv s LEU 689 N 2.80 4.24 -0.05 0.00 1.43 -0.55 -0.33 118.68 126.23 3kfv s LEU 689 Ca 0.41 0.90 0.05 0.00 -1.03 0.00 0.00 54.13 54.47 3kfv s LEU 689 Cb -0.16 -2.84 -0.01 0.00 0.03 0.00 0.00 46.19 43.21 3kfv s LEU 689 CO 0.09 -0.11 -0.21 -0.76 0.23 0.00 0.00 176.35 175.59 3kfv s LEU 690 N 1.06 1.99 -0.45 1.79 1.43 0.47 -1.57 118.68 123.41 3kfv s LEU 690 Ca 0.29 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 3kfv s LEU 690 Cb -0.16 -1.18 0.12 0.00 0.03 0.00 0.00 46.19 45.00 3kfv s LEU 690 CO 0.12 0.20 0.21 -0.62 0.23 0.00 0.00 176.35 176.49 3kfv s ASP 691 N -0.04 4.96 0.29 2.29 2.15 -1.26 -1.82 116.67 123.23 3kfv s ASP 691 Ca -0.04 -2.38 0.02 0.00 0.43 0.00 0.00 52.55 50.58 3kfv s ASP 691 Cb -0.13 -1.74 -0.03 0.00 -0.30 0.00 0.00 42.92 40.72 3kfv s ASP 691 CO 0.03 -0.41 0.27 0.68 -0.17 0.00 0.00 175.17 175.57 3kfv s VAL 692 N 0.62 0.00 0.59 1.11 -7.23 -1.26 -5.09 120.40 109.13 3kfv s VAL 692 Ca 0.12 -1.92 -0.06 0.00 -1.81 0.00 0.00 61.98 58.31 3kfv s VAL 692 Cb -0.22 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.22 3kfv s VAL 692 CO -0.04 0.00 0.91 0.42 -0.31 0.00 0.00 175.10 176.07 3kfv s THR 693 N -3.64 3.82 0.32 5.32 -4.23 -1.26 -4.95 115.64 111.02 3kfv s THR 693 Ca 0.38 0.10 0.06 0.00 -1.18 0.00 0.00 61.69 61.05 3kfv s THR 693 Cb 0.03 -3.52 0.31 0.00 1.34 0.00 0.00 72.50 70.67 3kfv s THR 693 CO 0.21 -0.55 1.81 -0.65 -0.54 0.00 0.00 174.62 174.90 3kfv h PRO 694 N -0.18 0.75 0.01 3.99 0.11 -2.00 -2.15 132.00 132.54 3kfv h PRO 694 Ca -0.45 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kfv h PRO 694 Cb 1.25 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3kfv h PRO 694 CO 0.61 0.50 -0.01 0.77 -0.21 0.00 0.00 178.00 179.66 3kfv h SER 695 N 0.78 -0.01 -0.84 -2.05 0.02 -2.00 -1.59 113.55 107.85 3kfv h SER 695 Ca 0.53 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 61.64 3kfv h SER 695 Cb 0.81 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.26 3kfv h SER 695 CO -0.31 -0.01 0.42 0.00 -1.14 0.00 0.00 176.83 175.79 3kfv h ALA 696 N 0.97 1.27 -0.77 3.77 0.00 -1.81 -2.07 119.26 120.62 3kfv h ALA 696 Ca -0.00 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3kfv h ALA 696 Cb 0.01 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3kfv h ALA 696 CO 0.00 -0.14 0.34 0.82 0.00 0.00 0.00 179.25 180.28 3kfv h ILE 697 N 0.57 1.25 -0.51 0.00 2.04 -0.75 -2.16 117.51 117.95 3kfv h ILE 697 Ca 0.47 -0.75 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 3kfv h ILE 697 Cb 0.70 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3kfv h ILE 697 CO -0.39 0.31 0.08 -0.33 0.00 0.00 0.00 178.15 177.82 3kfv h GLU 698 N 1.10 0.81 -0.33 2.37 5.08 -0.63 -0.54 114.58 122.44 3kfv h GLU 698 Ca 0.26 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3kfv h GLU 698 Cb 0.16 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3kfv h GLU 698 CO -0.03 0.76 0.08 0.00 -1.00 0.00 0.00 179.01 178.83 3kfv h ARG 699 N 0.77 0.53 -0.62 2.33 3.08 -1.17 -0.94 114.38 118.37 3kfv h ARG 699 Ca 0.16 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 3kfv h ARG 699 Cb 0.36 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 3kfv h ARG 699 CO 0.01 0.59 0.10 -0.07 -1.07 0.00 0.00 179.97 179.53 3kfv h LEU 700 N 0.38 0.98 -1.23 3.04 3.38 -1.11 -1.13 115.31 119.62 3kfv h LEU 700 Ca 0.11 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.85 3kfv h LEU 700 Cb 0.29 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 3kfv h LEU 700 CO 0.00 0.99 0.54 0.78 0.09 0.00 0.00 178.44 180.84 3kfv h ASN 701 N 0.93 0.87 -0.24 -0.43 2.35 -1.04 -0.88 115.58 117.14 3kfv h ASN 701 Ca 0.19 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.83 3kfv h ASN 701 Cb 0.43 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 3kfv h ASN 701 CO 0.01 0.60 -0.24 0.22 -1.65 0.00 0.00 177.43 176.37 3kfv h TYR 702 N 1.01 0.70 -0.02 1.19 3.20 -0.09 -2.33 116.97 120.62 3kfv h TYR 702 Ca 0.32 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3kfv h TYR 702 Cb 0.04 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.16 3kfv h TYR 702 CO -0.00 0.91 0.00 1.33 -1.64 0.00 0.00 178.16 178.76 3kfv n VAL 703 N -4.36 0.03 -2.15 1.81 0.24 -0.53 -4.90 118.33 108.46 3kfv n VAL 703 Ca -0.05 -0.05 -0.08 0.00 -2.04 0.00 0.00 64.34 62.13 3kfv n VAL 703 Cb 0.43 -0.19 -0.00 0.00 -1.47 0.00 0.00 33.84 32.61 3kfv n VAL 703 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kfv n GLN 704 N -0.63 -0.64 0.17 7.34 6.02 -0.78 -4.88 117.38 123.98 3kfv n GLN 704 Ca 0.14 0.39 0.12 0.00 -0.01 0.00 0.00 57.00 57.63 3kfv n GLN 704 Cb 0.10 -4.33 0.18 0.00 1.02 0.00 0.00 30.24 27.21 3kfv n GLN 704 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 3kfv h TYR 705 N -0.00 0.00 -5.69 1.08 0.99 -1.42 -3.49 116.97 108.43 3kfv h TYR 705 Ca -0.19 0.00 -0.31 0.00 2.00 0.00 0.00 58.73 60.23 3kfv h TYR 705 Cb 1.14 0.00 0.01 0.00 1.00 0.00 0.00 36.73 38.88 3kfv h TYR 705 CO 0.21 0.00 -0.81 0.66 -0.00 0.00 0.00 178.16 178.22 3kfv n TYR 706 N -2.82 -1.62 -0.86 4.88 4.01 -1.14 -4.31 117.16 115.30 3kfv n TYR 706 Ca 0.04 0.68 -0.32 0.00 -0.16 0.00 0.00 57.90 58.13 3kfv n TYR 706 Cb 0.51 -1.54 0.15 0.00 -0.31 0.00 0.00 39.34 38.14 3kfv n TYR 706 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3kfv n PRO 707 N -1.05 -0.19 -2.95 -0.72 -0.02 -1.26 -4.70 135.00 124.11 3kfv n PRO 707 Ca -0.14 0.02 -0.41 0.00 -2.02 0.00 0.00 63.50 60.94 3kfv n PRO 707 Cb 0.48 -2.32 -0.05 0.00 -0.02 0.00 0.00 33.50 31.59 3kfv n PRO 707 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kfv s ILE 708 N -2.40 4.88 -0.27 4.25 1.01 0.44 -4.91 121.20 124.20 3kfv s ILE 708 Ca 0.68 1.45 -0.06 0.00 0.00 0.00 0.00 60.65 62.72 3kfv s ILE 708 Cb -0.25 -4.07 -0.00 0.00 0.01 0.00 0.00 42.46 38.15 3kfv s ILE 708 CO 0.56 -0.04 0.05 -0.69 0.00 0.00 0.00 174.94 174.82 3kfv s VAL 709 N 2.70 3.86 -0.16 2.92 1.01 -1.26 0.18 120.40 129.66 3kfv s VAL 709 Ca 0.33 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.77 3kfv s VAL 709 Cb -0.15 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.33 3kfv s VAL 709 CO 0.08 0.21 -0.19 -0.69 0.00 0.00 0.00 175.10 174.51 3kfv s VAL 710 N 1.51 2.24 -0.13 2.92 1.01 -0.10 -0.93 120.40 126.92 3kfv s VAL 710 Ca 0.04 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 3kfv s VAL 710 Cb -0.16 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 3kfv s VAL 710 CO 0.01 0.53 -0.08 0.12 0.00 0.00 0.00 175.10 175.69 3kfv s PHE 711 N 0.99 2.93 -0.24 5.22 5.36 0.16 -0.34 117.98 132.06 3kfv s PHE 711 Ca -0.03 -0.38 -0.09 0.00 -0.96 0.00 0.00 56.93 55.47 3kfv s PHE 711 Cb -0.15 -1.88 -0.04 0.00 -0.34 0.00 0.00 43.02 40.61 3kfv s PHE 711 CO -0.05 -0.05 0.11 -0.06 -1.46 0.00 0.00 175.22 173.71 3kfv s PHE 712 N 0.20 3.21 -0.29 10.12 0.08 -0.68 -0.76 117.98 129.86 3kfv s PHE 712 Ca -0.05 -0.03 -0.14 0.00 0.12 0.00 0.00 56.93 56.83 3kfv s PHE 712 Cb -0.14 -2.23 -0.03 0.00 -0.57 0.00 0.00 43.02 40.04 3kfv s PHE 712 CO 0.04 -0.09 0.32 0.42 -0.10 0.00 0.00 175.22 175.81 3kfv s ILE 713 N 1.20 5.21 0.16 0.64 1.01 -0.47 -4.38 121.20 124.56 3kfv s ILE 713 Ca 0.06 0.33 -0.30 0.00 0.00 0.00 0.00 60.65 60.73 3kfv s ILE 713 Cb -0.14 -3.69 -0.07 0.00 0.01 0.00 0.00 42.46 38.57 3kfv s ILE 713 CO 0.05 0.11 0.99 -2.84 0.00 0.00 0.00 174.94 173.24 3kfv s PRO 714 N 1.98 4.71 0.06 2.79 0.02 -1.26 -0.23 135.00 143.07 3kfv s PRO 714 Ca 0.12 1.52 -0.30 0.00 0.02 0.00 0.00 61.00 62.35 3kfv s PRO 714 Cb -0.16 -3.33 -0.16 0.00 0.02 0.00 0.00 34.50 30.87 3kfv s PRO 714 CO 0.11 0.26 1.46 0.93 -0.33 0.00 0.00 177.00 179.43 3kfv h GLU 715 N 5.13 -0.95 -3.29 5.54 5.08 -1.94 -3.48 114.58 120.67 3kfv h GLU 715 Ca -0.44 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 3kfv h GLU 715 Cb 1.21 0.22 -0.09 0.00 0.50 0.00 0.00 28.75 30.59 3kfv h GLU 715 CO 0.71 -0.63 0.05 -1.54 -1.00 0.00 0.00 179.01 176.60 3kfv s SER 716 N -3.81 -0.23 0.17 1.42 1.04 -1.26 -5.02 113.70 106.01 3kfv s SER 716 Ca -0.16 -0.60 -0.14 0.00 0.48 0.00 0.00 55.95 55.54 3kfv s SER 716 Cb 0.03 0.62 0.09 0.00 0.10 0.00 0.00 66.02 66.85 3kfv s SER 716 CO 0.49 -1.15 1.82 0.03 0.98 0.00 0.00 173.24 175.41 3kfv h ARG 717 N 2.15 0.59 0.43 4.02 3.08 -1.93 0.22 114.38 122.96 3kfv h ARG 717 Ca -0.26 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.74 3kfv h ARG 717 Cb 1.26 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.18 3kfv h ARG 717 CO 0.33 0.39 -0.23 -1.35 -1.07 0.00 0.00 179.97 178.05 3kfv h PRO 718 N 0.61 -0.59 -0.73 0.04 0.11 -1.97 -1.26 132.00 128.22 3kfv h PRO 718 Ca 0.20 0.04 0.17 0.00 0.11 0.00 0.00 66.00 66.52 3kfv h PRO 718 Cb 0.01 0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.21 3kfv h PRO 718 CO -0.08 -0.39 0.50 0.00 -0.21 0.00 0.00 178.00 177.81 3kfv h ALA 719 N -0.05 2.36 0.11 -0.75 0.00 -1.86 0.63 119.26 119.70 3kfv h ALA 719 Ca -0.06 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.57 3kfv h ALA 719 Cb 0.48 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.28 3kfv h ALA 719 CO 0.08 -0.56 -1.20 1.25 0.00 0.00 0.00 179.25 178.82 3kfv h LEU 720 N 0.22 0.64 -0.74 0.00 5.85 -0.82 -2.40 115.31 118.06 3kfv h LEU 720 Ca 0.36 -0.61 -0.07 0.00 0.84 0.00 0.00 57.88 58.39 3kfv h LEU 720 Cb 1.07 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 3kfv h LEU 720 CO -0.07 1.45 0.14 0.50 -0.34 0.00 0.00 178.44 180.12 3kfv h LYS 721 N 0.18 1.10 0.83 1.25 3.64 0.27 -0.65 116.57 123.19 3kfv h LYS 721 Ca -0.15 -0.27 -0.04 0.00 -1.27 0.00 0.00 60.65 58.91 3kfv h LYS 721 Cb 1.89 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 33.57 3kfv h LYS 721 CO 0.21 0.98 -0.40 0.00 -2.27 0.00 0.00 179.45 177.98 3kfv h ALA 722 N 1.11 -1.11 -0.71 5.00 0.00 -1.05 -0.72 119.26 121.78 3kfv h ALA 722 Ca 0.21 -0.25 0.16 0.00 0.00 0.00 0.00 54.91 55.03 3kfv h ALA 722 Cb 0.39 0.43 -0.12 0.00 0.00 0.00 0.00 17.79 18.50 3kfv h ALA 722 CO 0.01 -1.10 0.08 1.25 0.00 0.00 0.00 179.25 179.49 3kfv h LEU 723 N -1.16 -0.17 -0.41 0.00 5.85 -1.33 -1.61 115.31 116.48 3kfv h LEU 723 Ca -0.11 0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 3kfv h LEU 723 Cb 0.86 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 3kfv h LEU 723 CO 0.19 -0.10 -0.15 0.03 -0.34 0.00 0.00 178.44 178.06 3kfv h ARG 724 N 0.18 0.83 -0.18 1.25 3.08 -1.01 -1.19 114.38 117.34 3kfv h ARG 724 Ca 0.39 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3kfv h ARG 724 Cb 0.68 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 3kfv h ARG 724 CO -0.56 0.97 0.06 0.37 -1.07 0.00 0.00 179.97 179.74 3kfv h GLN 725 N 0.65 0.24 0.22 0.04 5.75 -0.37 1.06 115.11 122.70 3kfv h GLN 725 Ca 0.10 -0.02 -0.34 0.00 -0.15 0.00 0.00 58.65 58.24 3kfv h GLN 725 Cb 0.70 -0.05 0.02 0.00 1.07 0.00 0.00 27.48 29.22 3kfv h GLN 725 CO 0.05 0.22 -1.55 2.35 -2.65 0.00 0.00 178.83 177.25 3kfv h TRP 726 N 0.24 0.84 0.00 3.99 2.91 -1.07 -3.19 115.95 119.67 3kfv h TRP 726 Ca 0.06 -0.61 -0.05 0.00 1.13 0.00 0.00 58.89 59.42 3kfv h TRP 726 Cb 0.08 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.69 3kfv h TRP 726 CO 0.00 1.57 -2.05 1.28 -1.03 0.00 0.00 178.44 178.21 3kfv n LEU 727 N -3.65 0.00 -3.16 0.65 4.77 -0.47 -4.56 117.00 110.58 3kfv n LEU 727 Ca -0.19 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.57 3kfv n LEU 727 Cb 1.09 0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 42.20 3kfv n LEU 727 CO 0.57 0.07 -0.13 0.00 -1.33 0.00 0.00 177.39 176.57 3kfv n ALA 728 N -2.33 2.92 -0.15 -1.18 0.00 0.36 -4.99 120.51 115.15 3kfv n ALA 728 Ca -0.08 -3.84 -0.03 0.00 0.00 0.00 0.00 53.44 49.49 3kfv n ALA 728 Cb 0.65 -0.86 0.05 0.00 0.00 0.00 0.00 19.45 19.30 3kfv n ALA 728 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kfv h PRO 729 N 3.34 0.13 -0.06 0.00 0.11 -1.60 -0.47 132.00 133.45 3kfv h PRO 729 Ca 0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3kfv h PRO 729 Cb 0.81 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.89 3kfv h PRO 729 CO 0.60 0.09 0.00 0.00 -0.21 0.00 0.00 178.00 178.48 3kfv n ALA 730 N -2.61 2.58 -2.21 -0.75 0.00 -1.26 -4.90 120.51 111.38 3kfv n ALA 730 Ca 0.05 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.76 3kfv n ALA 730 Cb 0.25 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 3kfv n ALA 730 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kfv s SER 731 N -1.69 6.99 -0.89 0.00 0.15 -0.19 -4.97 113.70 113.11 3kfv s SER 731 Ca 0.33 2.20 -0.01 0.00 0.70 0.00 0.00 55.95 59.18 3kfv s SER 731 Cb 0.17 -2.59 0.23 0.00 -1.71 0.00 0.00 66.02 62.11 3kfv s SER 731 CO 0.27 -0.50 0.83 -2.11 1.20 0.00 0.00 173.24 172.93 3kfv n ARG 732 N 3.40 2.75 -3.81 5.44 0.00 -1.26 -5.03 116.66 118.14 3kfv n ARG 732 Ca 0.08 -4.50 -0.12 0.00 -0.00 0.00 0.00 57.85 53.31 3kfv n ARG 732 Cb 0.44 -2.40 -0.11 0.00 -0.00 0.00 0.00 32.46 30.39 3kfv n ARG 732 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3kfv s ARG 733 N -1.58 0.33 -0.12 2.89 0.52 -1.26 -5.11 118.95 114.62 3kfv s ARG 733 Ca 0.29 0.10 -0.29 0.00 -0.52 0.00 0.00 55.73 55.31 3kfv s ARG 733 Cb -0.04 0.15 -0.06 0.00 0.52 0.00 0.00 34.95 35.51 3kfv s ARG 733 CO -0.10 -0.06 2.08 -1.54 0.02 0.00 0.00 175.30 175.70 3kfv s SER 734 N -0.32 5.91 0.52 0.23 1.04 -1.26 -4.78 113.70 115.03 3kfv s SER 734 Ca -0.04 2.18 0.35 0.00 0.48 0.00 0.00 55.95 58.92 3kfv s SER 734 Cb -0.03 -2.52 1.87 0.00 0.10 0.00 0.00 66.02 65.44 3kfv s SER 734 CO 0.01 -1.56 2.07 0.74 0.98 0.00 0.00 173.24 175.48 3kfv h THR 735 N 6.48 0.00 0.00 2.02 2.02 -1.97 -1.87 112.91 119.59 3kfv h THR 735 Ca -0.44 -0.04 -0.08 0.00 0.77 0.00 0.00 66.41 66.62 3kfv h THR 735 Cb 1.23 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 3kfv h THR 735 CO 0.96 0.00 -0.54 -0.09 0.37 0.00 0.00 175.52 176.22 3kfv h ARG 736 N 0.00 0.00 -0.40 6.66 2.43 -1.94 -2.83 114.38 118.30 3kfv h ARG 736 Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3kfv h ARG 736 Cb 0.05 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3kfv h ARG 736 CO 0.00 0.58 0.26 0.00 -1.51 0.00 0.00 179.97 179.30 3kfv h ARG 737 N -1.00 0.48 -0.08 0.20 3.08 -1.93 -2.51 114.38 112.63 3kfv h ARG 737 Ca -0.12 -0.03 -0.24 0.00 0.07 0.00 0.00 59.98 59.66 3kfv h ARG 737 Cb 0.80 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.75 3kfv h ARG 737 CO -0.07 0.32 -0.89 -0.07 -1.07 0.00 0.00 179.97 178.18 3kfv h LEU 738 N 0.50 0.90 -0.01 3.04 3.38 -1.47 -2.10 115.31 119.54 3kfv h LEU 738 Ca 0.15 -0.65 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 3kfv h LEU 738 Cb -0.00 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 3kfv h LEU 738 CO -0.03 1.44 0.00 0.22 0.09 0.00 0.00 178.44 180.16 3kfv h TYR 739 N 0.46 0.02 -0.68 1.13 3.20 -1.25 -2.18 116.97 117.67 3kfv h TYR 739 Ca -0.08 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.78 3kfv h TYR 739 Cb 1.53 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.76 3kfv h TYR 739 CO 0.09 0.23 0.43 0.00 -1.64 0.00 0.00 178.16 177.27 3kfv h ALA 740 N 0.79 1.48 -0.54 1.82 0.00 -1.53 -1.92 119.26 119.36 3kfv h ALA 740 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kfv h ALA 740 Cb 0.22 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3kfv h ALA 740 CO -0.00 0.47 0.33 -0.56 0.00 0.00 0.00 179.25 179.49 3kfv h GLN 741 N 0.93 0.73 -0.83 0.00 -0.00 -1.20 -0.84 115.11 113.90 3kfv h GLN 741 Ca 0.25 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 58.82 3kfv h GLN 741 Cb -0.07 -0.15 -0.04 0.00 -0.00 0.00 0.00 27.48 27.22 3kfv h GLN 741 CO -0.05 0.52 0.45 0.00 -0.00 0.00 0.00 178.83 179.74 3kfv h ALA 742 N 1.17 1.23 -0.76 0.06 0.00 -0.81 -0.65 119.26 119.50 3kfv h ALA 742 Ca 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3kfv h ALA 742 Cb -0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.39 3kfv h ALA 742 CO -0.04 0.62 0.43 1.96 0.00 0.00 0.00 179.25 182.23 3kfv h GLN 743 N 1.16 1.04 -0.45 0.00 4.20 -0.86 -0.75 115.11 119.45 3kfv h GLN 743 Ca 0.29 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 3kfv h GLN 743 Cb 0.04 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 3kfv h GLN 743 CO -0.05 0.76 0.12 -0.22 -0.67 0.00 0.00 178.83 178.77 3kfv h LYS 744 N 1.04 0.71 -0.45 1.46 1.63 -0.50 -1.47 116.57 118.98 3kfv h LYS 744 Ca 0.27 -0.16 -0.02 0.00 -0.85 0.00 0.00 60.65 59.88 3kfv h LYS 744 Cb 0.00 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.52 3kfv h LYS 744 CO -0.05 0.70 0.19 -0.07 -3.45 0.00 0.00 179.45 176.77 3kfv h LEU 745 N 0.59 0.61 -0.68 5.20 3.38 -0.92 -2.54 115.31 120.94 3kfv h LEU 745 Ca 0.14 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3kfv h LEU 745 Cb 0.30 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3kfv h LEU 745 CO -0.00 0.59 0.13 -0.09 0.09 0.00 0.00 178.44 179.16 3kfv h ARG 746 N 0.58 1.11 0.58 1.13 2.43 -1.03 0.31 114.38 119.49 3kfv h ARG 746 Ca 0.15 -0.29 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 3kfv h ARG 746 Cb 0.16 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3kfv h ARG 746 CO -0.02 1.00 -0.28 -0.22 -1.51 0.00 0.00 179.97 178.95 3kfv h LYS 747 N 1.04 -0.75 -0.00 0.20 1.63 -1.17 -3.31 116.57 114.21 3kfv h LYS 747 Ca 0.21 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.06 3kfv h LYS 747 Cb 0.41 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 3kfv h LYS 747 CO 0.01 -0.49 -0.57 0.72 -3.45 0.00 0.00 179.45 175.67 3kfv n HIS 748 N -5.41 0.00 -0.02 1.91 8.25 -0.96 -4.61 115.22 114.37 3kfv n HIS 748 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 3kfv n HIS 748 Cb 0.32 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.43 3kfv n HIS 748 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3kfv n SER 749 N -1.07 0.76 -0.21 0.41 7.64 0.11 -4.75 113.62 116.51 3kfv n SER 749 Ca 0.03 -0.89 0.10 0.00 1.01 0.00 0.00 58.87 59.13 3kfv n SER 749 Cb 0.23 0.21 0.20 0.00 -1.01 0.00 0.00 64.21 63.85 3kfv n SER 749 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3kfv n SER 750 N -0.21 -0.04 0.33 6.43 7.64 -1.16 -0.52 113.62 126.09 3kfv n SER 750 Ca 0.00 1.03 0.23 0.00 1.01 0.00 0.00 58.87 61.13 3kfv n SER 750 Cb 0.01 -0.39 1.20 0.00 -1.01 0.00 0.00 64.21 64.01 3kfv n SER 750 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 3kfv h HIS 751 N 0.00 0.00 -0.01 1.43 2.07 -1.92 -0.86 115.15 115.86 3kfv h HIS 751 Ca 0.39 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.91 3kfv h HIS 751 Cb 0.83 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.81 3kfv h HIS 751 CO -0.27 0.00 -0.26 1.28 -3.07 0.00 0.00 177.93 175.61 3kfv n LEU 752 N -3.07 1.34 -4.74 6.12 4.77 0.32 -4.92 117.00 116.82 3kfv n LEU 752 Ca -0.03 -0.41 -0.41 0.00 -0.03 0.00 0.00 56.01 55.14 3kfv n LEU 752 Cb 0.08 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 3kfv n LEU 752 CO 0.20 0.24 0.64 -0.36 -1.33 0.00 0.00 177.39 176.79 3kfv s PHE 753 N -2.42 3.84 -0.83 -1.77 0.08 -0.33 -4.74 117.98 111.80 3kfv s PHE 753 Ca 0.25 1.79 0.19 0.00 0.12 0.00 0.00 56.93 59.29 3kfv s PHE 753 Cb 0.19 -3.01 -0.22 0.00 -0.57 0.00 0.00 43.02 39.41 3kfv s PHE 753 CO 0.50 0.27 0.79 0.25 -0.10 0.00 0.00 175.22 176.93 3kfv n THR 754 N 2.49 0.00 -3.56 0.64 -2.24 -0.11 -4.98 114.28 106.53 3kfv n THR 754 Ca 0.01 -0.08 -0.16 0.00 -2.27 0.00 0.00 64.05 61.55 3kfv n THR 754 Cb 0.49 0.91 -0.06 0.00 -2.10 0.00 0.00 70.33 69.57 3kfv n THR 754 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kfv s ALA 755 N -2.88 -1.80 0.11 6.98 0.00 -0.47 -4.93 121.76 118.76 3kfv s ALA 755 Ca 0.06 1.57 0.10 0.00 0.00 0.00 0.00 51.96 53.68 3kfv s ALA 755 Cb 0.14 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 3kfv s ALA 755 CO 0.80 -0.35 -0.24 0.95 0.00 0.00 0.00 175.76 176.92 3kfv s THR 756 N -0.69 2.02 -0.03 0.00 -4.23 -1.26 -0.66 115.64 110.78 3kfv s THR 756 Ca -0.06 -1.62 -0.01 0.00 -1.18 0.00 0.00 61.69 58.82 3kfv s THR 756 Cb -0.02 -1.79 0.03 0.00 1.34 0.00 0.00 72.50 72.06 3kfv s THR 756 CO 0.06 0.06 0.05 -0.63 -0.54 0.00 0.00 174.62 173.62 3kfv s ILE 757 N -1.06 -0.09 -0.06 2.99 1.01 0.06 -4.92 121.20 119.14 3kfv s ILE 757 Ca 0.11 0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.78 3kfv s ILE 757 Cb -0.10 -0.12 -0.04 0.00 0.01 0.00 0.00 42.46 42.21 3kfv s ILE 757 CO 0.05 0.13 1.31 -2.84 0.00 0.00 0.00 174.94 173.59 3kfv s PRO 758 N 1.63 4.29 -0.54 2.79 0.02 -1.26 -1.36 135.00 140.57 3kfv s PRO 758 Ca -0.02 1.80 -0.28 0.00 0.02 0.00 0.00 61.00 62.52 3kfv s PRO 758 Cb -0.12 -3.63 0.03 0.00 0.02 0.00 0.00 34.50 30.80 3kfv s PRO 758 CO -0.03 -0.57 1.16 -0.51 -0.33 0.00 0.00 177.00 176.72 3kfv s LEU 759 N 2.64 3.56 -0.45 -5.54 1.43 0.68 -4.76 118.68 116.24 3kfv s LEU 759 Ca 0.59 0.21 0.09 0.00 -1.03 0.00 0.00 54.13 53.99 3kfv s LEU 759 Cb -0.27 -3.29 0.38 0.00 0.03 0.00 0.00 46.19 43.05 3kfv s LEU 759 CO 0.22 -1.38 0.94 0.59 0.23 0.00 0.00 176.35 176.95 3kfv n ASN 760 N 8.16 3.19 0.00 2.29 5.03 -1.26 -3.48 115.26 129.20 3kfv n ASN 760 Ca 0.09 -3.38 0.00 0.00 0.87 0.00 0.00 54.58 52.17 3kfv n ASN 760 Cb 0.49 -0.54 0.00 0.00 -1.02 0.00 0.00 39.78 38.70 3kfv n ASN 760 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kfv n GLY 761 N -0.15 0.71 0.04 7.41 0.00 -1.26 -4.87 105.19 107.07 3kfv n GLY 761 Ca 0.28 -1.97 0.03 0.00 0.00 0.00 0.00 46.02 44.36 3kfv n GLY 761 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kfv n THR 762 N 5.20 1.14 -2.56 2.61 -2.24 -1.26 -4.78 114.28 112.39 3kfv n THR 762 Ca 0.00 -1.25 -0.24 0.00 -2.27 0.00 0.00 64.05 60.30 3kfv n THR 762 Cb 0.00 0.33 0.04 0.00 -2.10 0.00 0.00 70.33 68.60 3kfv n THR 762 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kfv s SER 763 N -1.45 5.36 0.00 3.42 1.04 -1.26 -4.97 113.70 115.84 3kfv s SER 763 Ca 0.09 0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.84 3kfv s SER 763 Cb 0.08 -1.25 0.02 0.00 0.10 0.00 0.00 66.02 64.97 3kfv s SER 763 CO 0.01 -1.13 0.73 -0.90 0.98 0.00 0.00 173.24 172.92 3kfv n ASP 764 N -2.47 0.00 0.14 7.02 5.75 -1.26 -4.24 116.55 121.50 3kfv n ASP 764 Ca 0.06 -1.42 -0.14 0.00 -0.01 0.00 0.00 54.79 53.28 3kfv n ASP 764 Cb 0.59 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.60 3kfv n ASP 764 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 3kfv h THR 765 N 0.00 0.80 -0.42 2.12 2.02 -1.99 -0.18 112.91 115.26 3kfv h THR 765 Ca 0.00 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 67.01 3kfv h THR 765 Cb 0.00 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 3kfv h THR 765 CO 0.00 0.04 0.28 4.11 0.37 0.00 0.00 175.52 180.33 3kfv h TRP 766 N -0.41 0.45 -0.25 3.16 5.08 -1.86 -0.41 115.95 121.71 3kfv h TRP 766 Ca -0.03 0.01 -0.16 0.00 1.08 0.00 0.00 58.89 59.79 3kfv h TRP 766 Cb 0.32 -0.15 -0.01 0.00 -3.00 0.00 0.00 29.16 26.32 3kfv h TRP 766 CO -0.03 0.27 -0.49 -0.92 -1.28 0.00 0.00 178.44 175.98 3kfv h TYR 767 N 0.47 0.86 0.54 0.12 3.20 -1.77 -0.66 116.97 119.74 3kfv h TYR 767 Ca 0.17 -0.29 -0.03 0.00 3.14 0.00 0.00 58.73 61.73 3kfv h TYR 767 Cb 0.09 -0.17 0.01 0.00 1.54 0.00 0.00 36.73 38.20 3kfv h TYR 767 CO -0.00 1.05 -0.26 1.96 -1.64 0.00 0.00 178.16 179.27 3kfv h GLN 768 N 0.55 -0.70 -0.98 1.82 1.08 0.28 -2.01 115.11 115.15 3kfv h GLN 768 Ca 0.02 0.05 0.16 0.00 -1.45 0.00 0.00 58.65 57.43 3kfv h GLN 768 Cb 1.05 0.16 -0.10 0.00 -0.05 0.00 0.00 27.48 28.55 3kfv h GLN 768 CO 0.10 -0.41 0.59 0.93 -0.95 0.00 0.00 178.83 179.09 3kfv h GLU 769 N -0.89 0.80 0.27 1.46 5.08 -1.16 -1.84 114.58 118.30 3kfv h GLU 769 Ca -0.07 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3kfv h GLU 769 Cb 0.62 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 3kfv h GLU 769 CO 0.12 0.53 -0.44 1.25 -1.00 0.00 0.00 179.01 179.47 3kfv h LEU 770 N 0.82 -1.25 -1.15 1.33 5.85 -0.92 -0.23 115.31 119.78 3kfv h LEU 770 Ca 0.53 0.12 0.06 0.00 0.84 0.00 0.00 57.88 59.44 3kfv h LEU 770 Cb 0.72 0.44 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 3kfv h LEU 770 CO -0.34 -0.54 0.59 0.11 -0.34 0.00 0.00 178.44 177.91 3kfv h LYS 771 N -0.77 1.00 -0.47 1.25 1.57 -0.60 -0.68 116.57 117.87 3kfv h LYS 771 Ca -0.01 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.59 3kfv h LYS 771 Cb 0.74 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3kfv h LYS 771 CO -0.16 0.66 -0.19 0.00 -0.57 0.00 0.00 179.45 179.19 3kfv h ALA 772 N 1.51 0.78 -0.28 3.86 0.00 -1.10 -2.80 119.26 121.22 3kfv h ALA 772 Ca 0.39 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3kfv h ALA 772 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3kfv h ALA 772 CO -0.15 0.66 -0.24 0.82 0.00 0.00 0.00 179.25 180.34 3kfv h ILE 773 N 0.81 1.27 -0.12 0.00 2.04 0.41 -1.50 117.51 120.42 3kfv h ILE 773 Ca 0.11 -1.27 -0.03 0.00 1.00 0.00 0.00 64.86 64.68 3kfv h ILE 773 Cb 0.74 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 3kfv h ILE 773 CO 0.06 0.41 -0.04 0.40 0.00 0.00 0.00 178.15 178.97 3kfv h ILE 774 N 0.47 1.31 0.00 -0.67 2.04 -1.22 -1.89 117.51 117.54 3kfv h ILE 774 Ca 0.07 -1.02 -0.05 0.00 1.00 0.00 0.00 64.86 64.86 3kfv h ILE 774 Cb 0.67 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 3kfv h ILE 774 CO 0.05 0.29 -0.23 0.03 0.00 0.00 0.00 178.15 178.30 3kfv h ARG 775 N -0.10 0.00 0.15 2.37 3.08 -1.42 -2.35 114.38 116.11 3kfv h ARG 775 Ca 0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 3kfv h ARG 775 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3kfv h ARG 775 CO 0.01 0.23 -0.07 1.49 -1.07 0.00 0.00 179.97 180.56 3kfv h GLU 776 N 0.00 -0.20 0.00 0.04 4.81 -1.21 -3.32 114.58 114.70 3kfv h GLU 776 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3kfv h GLU 776 Cb 0.50 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.92 3kfv h GLU 776 CO 0.03 -0.13 0.00 1.04 -0.73 0.00 0.00 179.01 179.22 3kfv n GLN 777 N -4.73 0.15 0.27 1.92 6.02 -0.72 -0.34 117.38 119.96 3kfv n GLN 777 Ca -0.03 0.60 0.16 0.00 -0.01 0.00 0.00 57.00 57.73 3kfv n GLN 777 Cb 0.08 -1.95 0.64 0.00 1.02 0.00 0.00 30.24 30.03 3kfv n GLN 777 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 3kfv h GLN 778 N 0.00 0.00 0.00 -1.09 5.75 -1.52 -2.82 115.11 115.43 3kfv h GLN 778 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3kfv h GLN 778 Cb 0.07 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.62 3kfv h GLN 778 CO 0.00 0.04 -1.08 0.25 -2.65 0.00 0.00 178.83 175.39 3kfv n THR 779 N -3.15 0.16 -2.08 2.39 -2.24 0.54 -4.57 114.28 105.34 3kfv n THR 779 Ca 0.01 -0.25 -0.41 0.00 -2.27 0.00 0.00 64.05 61.12 3kfv n THR 779 Cb 0.33 0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.76 3kfv n THR 779 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kfv s ARG 780 N -3.21 4.32 0.15 -0.78 0.52 -1.07 -4.80 118.95 114.09 3kfv s ARG 780 Ca 0.03 2.25 -0.30 0.00 -0.52 0.00 0.00 55.73 57.19 3kfv s ARG 780 Cb 0.14 -3.07 -0.08 0.00 0.52 0.00 0.00 34.95 32.46 3kfv s ARG 780 CO 0.81 -0.26 1.26 -1.25 0.02 0.00 0.00 175.30 175.88 3kfv s PRO 781 N -1.50 4.43 0.33 3.54 0.04 -1.26 -4.37 135.00 136.21 3kfv s PRO 781 Ca 0.51 1.92 0.08 0.00 0.04 0.00 0.00 61.00 63.56 3kfv s PRO 781 Cb -0.40 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 30.84 3kfv s PRO 781 CO 0.51 -0.22 0.13 0.96 0.04 0.00 0.00 177.00 178.42 3kfv s ILE 782 N 0.43 3.04 0.52 0.56 -4.36 0.27 -4.76 121.20 116.90 3kfv s ILE 782 Ca 0.57 -1.72 -0.21 0.00 -0.26 0.00 0.00 60.65 59.03 3kfv s ILE 782 Cb -0.33 -2.96 -0.06 0.00 1.25 0.00 0.00 42.46 40.35 3kfv s ILE 782 CO 0.34 -0.20 1.18 0.26 0.24 0.00 0.00 174.94 176.76 3kfv s TRP 783 N -2.42 2.66 -0.12 1.37 0.52 -1.26 -1.28 118.94 118.41 3kfv s TRP 783 Ca 0.37 1.52 -0.30 0.00 0.02 0.00 0.00 56.10 57.72 3kfv s TRP 783 Cb -0.03 -3.41 0.09 0.00 -1.15 0.00 0.00 33.47 28.97 3kfv s TRP 783 CO 0.22 -1.79 0.78 -0.08 0.02 0.00 0.00 176.95 176.11 3kfv s THR 784 N -1.61 0.00 0.14 2.01 -1.32 -0.20 -4.88 115.64 109.79 3kfv s THR 784 Ca 0.70 0.00 -0.33 0.00 -1.21 0.00 0.00 61.69 60.85 3kfv s THR 784 Cb -0.28 -1.00 -0.13 0.00 -1.51 0.00 0.00 72.50 69.58 3kfv s THR 784 CO 0.33 0.00 1.68 0.00 -2.21 0.00 0.00 174.62 174.42 3kfv n ALA 785 N 1.22 1.80 1.73 11.08 0.00 -1.26 -0.49 120.51 134.59 3kfv n ALA 785 Ca -0.16 0.40 0.15 0.00 0.00 0.00 0.00 53.44 53.83 3kfv n ALA 785 Cb 0.57 -2.44 0.72 0.00 0.00 0.00 0.00 19.45 18.29 3kfv n ALA 785 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59