#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c4f s LEU 465 N 0.00 4.51 0.33 -1.84 1.02 -1.26 -5.06 118.68 116.38 3c4f s LEU 465 Ca 0.00 1.26 -0.28 0.00 0.02 0.00 0.00 54.13 55.13 3c4f s LEU 465 Cb 0.00 -2.91 -0.10 0.00 0.02 0.00 0.00 46.19 43.20 3c4f s LEU 465 CO 0.00 0.25 1.18 -2.16 0.02 0.00 0.00 176.35 175.64 3c4f s PRO 466 N -0.96 4.41 0.25 1.29 0.04 -1.26 -4.93 135.00 133.84 3c4f s PRO 466 Ca 0.29 1.95 -0.30 0.00 0.04 0.00 0.00 61.00 62.98 3c4f s PRO 466 Cb -0.19 -3.03 -0.09 0.00 0.04 0.00 0.00 34.50 31.23 3c4f s PRO 466 CO 0.19 -0.04 0.97 -1.21 0.04 0.00 0.00 177.00 176.94 3c4f s GLU 467 N -1.77 4.81 -0.34 4.56 2.02 -1.26 -5.00 118.70 121.72 3c4f s GLU 467 Ca 0.49 1.54 -0.01 0.00 0.02 0.00 0.00 54.97 57.01 3c4f s GLU 467 Cb -0.34 -3.25 0.12 0.00 0.10 0.00 0.00 34.13 30.76 3c4f s GLU 467 CO 0.44 0.46 0.17 0.34 0.02 0.00 0.00 175.26 176.70 3c4f s ASP 468 N -1.14 3.47 0.66 -0.19 2.15 -1.26 -5.02 116.67 115.34 3c4f s ASP 468 Ca 0.42 -1.94 0.41 0.00 0.43 0.00 0.00 52.55 51.87 3c4f s ASP 468 Cb -0.27 -0.61 2.21 0.00 -0.30 0.00 0.00 42.92 43.95 3c4f s ASP 468 CO 0.33 -0.36 2.24 -0.65 -0.17 0.00 0.00 175.17 176.57 3c4f h PRO 469 N 7.53 0.00 0.00 4.34 0.11 -1.96 -1.11 132.00 140.91 3c4f h PRO 469 Ca -0.06 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 3c4f h PRO 469 Cb 0.98 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 3c4f h PRO 469 CO 0.39 0.00 -0.16 0.00 -0.21 0.00 0.00 178.00 178.02 3c4f h ARG 470 N 0.00 0.00 0.00 1.05 3.08 -2.03 -3.34 114.38 113.14 3c4f h ARG 470 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3c4f h ARG 470 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3c4f h ARG 470 CO 0.00 0.16 -0.22 0.91 -1.07 0.00 0.00 179.97 179.75 3c4f n TRP 471 N -4.11 0.00 -2.40 3.04 7.02 -0.47 -5.04 117.44 115.48 3c4f n TRP 471 Ca -0.02 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.04 3c4f n TRP 471 Cb 0.24 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.10 3c4f n TRP 471 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 3c4f s GLU 472 N -1.11 4.50 -0.07 -0.99 2.56 -0.91 -1.50 118.70 121.18 3c4f s GLU 472 Ca 0.00 1.83 0.05 0.00 0.00 0.00 0.00 54.97 56.85 3c4f s GLU 472 Cb 0.00 -3.26 -0.01 0.00 2.00 0.00 0.00 34.13 32.85 3c4f s GLU 472 CO 0.00 -0.10 -0.22 -1.17 -0.56 0.00 0.00 175.26 173.21 3c4f s LEU 473 N -0.02 2.24 0.27 2.70 2.96 0.29 -4.86 118.68 122.27 3c4f s LEU 473 Ca 0.53 -0.45 -0.30 0.00 -0.22 0.00 0.00 54.13 53.69 3c4f s LEU 473 Cb -0.32 -1.43 -0.11 0.00 0.50 0.00 0.00 46.19 44.83 3c4f s LEU 473 CO 0.35 0.24 1.57 -2.84 -1.32 0.00 0.00 176.35 174.35 3c4f s PRO 474 N -0.14 4.15 0.47 0.98 0.02 -1.26 -4.45 135.00 134.78 3c4f s PRO 474 Ca -0.04 2.52 0.24 0.00 0.02 0.00 0.00 61.00 63.74 3c4f s PRO 474 Cb -0.14 -3.05 1.27 0.00 0.02 0.00 0.00 34.50 32.60 3c4f s PRO 474 CO 0.04 -0.59 1.85 -0.09 -0.33 0.00 0.00 177.00 177.87 3c4f h ARG 475 N 5.06 0.22 0.00 5.54 2.43 -1.94 -1.05 114.38 124.63 3c4f h ARG 475 Ca -0.46 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3c4f h ARG 475 Cb 1.22 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3c4f h ARG 475 CO 0.80 0.14 0.00 -0.40 -1.51 0.00 0.00 179.97 179.01 3c4f n ASP 476 N -4.42 0.00 -0.23 -3.80 5.68 -1.26 -2.64 116.55 109.88 3c4f n ASP 476 Ca 0.21 0.20 0.14 0.00 -0.50 0.00 0.00 54.79 54.84 3c4f n ASP 476 Cb 0.88 -0.38 0.56 0.00 -1.14 0.00 0.00 41.12 41.03 3c4f n ASP 476 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3c4f n ARG 477 N -1.38 1.02 -3.96 0.11 5.12 -0.40 -4.81 116.66 112.35 3c4f n ARG 477 Ca 0.09 -0.47 -0.34 0.00 -1.93 0.00 0.00 57.85 55.19 3c4f n ARG 477 Cb 0.23 -1.49 -0.14 0.00 -1.16 0.00 0.00 32.46 29.89 3c4f n ARG 477 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3c4f s LEU 478 N -2.31 3.32 -0.47 0.55 2.96 -1.08 0.25 118.68 121.91 3c4f s LEU 478 Ca 0.32 -0.99 -0.19 0.00 -0.22 0.00 0.00 54.13 53.06 3c4f s LEU 478 Cb 0.20 -1.66 0.04 0.00 0.50 0.00 0.00 46.19 45.27 3c4f s LEU 478 CO 0.44 -0.16 0.57 -0.69 -1.32 0.00 0.00 176.35 175.19 3c4f s VAL 479 N 1.29 4.94 0.41 1.68 1.01 0.90 -4.93 120.40 125.70 3c4f s VAL 479 Ca -0.01 -0.36 -0.24 0.00 0.00 0.00 0.00 61.98 61.36 3c4f s VAL 479 Cb -0.17 -4.20 -0.08 0.00 0.00 0.00 0.00 36.38 31.92 3c4f s VAL 479 CO -0.04 -0.65 1.10 -0.76 0.00 0.00 0.00 175.10 174.76 3c4f s LEU 480 N 2.48 4.14 0.00 3.92 1.43 -1.26 -1.17 118.68 128.21 3c4f s LEU 480 Ca 0.15 2.18 0.00 0.00 -1.03 0.00 0.00 54.13 55.43 3c4f s LEU 480 Cb -0.18 -4.14 0.00 0.00 0.03 0.00 0.00 46.19 41.90 3c4f s LEU 480 CO 0.14 -0.62 0.00 0.61 0.23 0.00 0.00 176.35 176.71 3c4f n GLY 481 N 0.46 5.35 3.80 -3.19 0.00 0.22 -4.94 105.19 106.90 3c4f n GLY 481 Ca 0.05 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 3c4f n GLY 481 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3c4f s LYS 482 N 1.92 3.69 0.52 1.61 0.00 -1.25 -4.47 119.74 121.75 3c4f s LYS 482 Ca 0.00 1.31 -0.22 0.00 0.00 0.00 0.00 55.97 57.06 3c4f s LYS 482 Cb 0.00 -2.08 -0.06 0.00 0.00 0.00 0.00 37.83 35.69 3c4f s LYS 482 CO 0.00 -0.52 1.28 -2.30 0.00 0.00 0.00 175.35 173.81 3c4f n PRO 483 N -1.25 1.64 -4.33 1.78 -0.02 -1.26 -0.90 135.00 130.66 3c4f n PRO 483 Ca 0.09 0.60 -0.25 0.00 -2.02 0.00 0.00 63.50 61.92 3c4f n PRO 483 Cb 0.53 -2.46 -0.13 0.00 -0.02 0.00 0.00 33.50 31.42 3c4f n PRO 483 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3c4f s LEU 484 N -2.77 2.30 -1.43 2.45 1.43 0.36 -4.78 118.68 116.25 3c4f s LEU 484 Ca 0.69 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 3c4f s LEU 484 Cb -0.44 -0.97 0.00 0.00 0.03 0.00 0.00 46.19 44.81 3c4f s LEU 484 CO 0.51 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.79 3c4f n GLY 485 N 1.07 1.14 4.03 -3.19 0.00 -1.26 -3.91 105.19 103.08 3c4f n GLY 485 Ca -0.19 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 3c4f n GLY 485 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3c4f n GLU 486 N -2.55 -0.88 -0.87 1.61 -0.58 -1.26 -0.65 120.64 115.46 3c4f n GLU 486 Ca -0.14 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 3c4f n GLU 486 Cb 0.49 -3.34 0.00 0.00 -0.57 0.00 0.00 31.44 28.02 3c4f n GLU 486 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3c4f n GLY 487 N -1.85 0.49 0.21 0.62 0.00 -1.25 -4.88 105.19 98.53 3c4f n GLY 487 Ca -0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.94 3c4f n GLY 487 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3c4f h ALA 488 N 0.00 1.16 -0.34 4.61 0.00 -1.17 -2.92 119.26 120.60 3c4f h ALA 488 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3c4f h ALA 488 Cb 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3c4f h ALA 488 CO 0.00 0.38 0.00 1.19 0.00 0.00 0.00 179.25 180.82 3c4f n PHE 489 N -3.70 1.01 -2.36 0.00 3.01 -1.26 -5.09 117.46 109.07 3c4f n PHE 489 Ca -0.01 -0.77 0.00 0.00 1.01 0.00 0.00 57.45 57.68 3c4f n PHE 489 Cb 0.41 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 3c4f n PHE 489 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3c4f n GLY 490 N -0.08 -1.71 3.55 1.37 0.00 -1.10 -4.74 105.19 102.47 3c4f n GLY 490 Ca 0.20 -1.61 -0.39 0.00 0.00 0.00 0.00 46.02 44.23 3c4f n GLY 490 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3c4f s GLN 491 N 0.00 3.03 -0.03 1.61 0.74 -1.26 -4.41 119.66 119.35 3c4f s GLN 491 Ca 0.00 -0.15 0.04 0.00 0.05 0.00 0.00 55.36 55.30 3c4f s GLN 491 Cb 0.00 -4.51 -0.01 0.00 1.10 0.00 0.00 33.01 29.60 3c4f s GLN 491 CO 0.00 -2.44 -0.14 0.08 -0.55 0.00 0.00 175.29 172.23 3c4f s VAL 492 N 6.97 1.19 0.15 1.34 1.01 -1.26 -1.56 120.40 128.24 3c4f s VAL 492 Ca 0.49 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.92 3c4f s VAL 492 Cb -0.08 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3c4f s VAL 492 CO 0.11 0.34 -0.11 0.68 0.00 0.00 0.00 175.10 176.12 3c4f s VAL 493 N -0.08 1.28 0.22 2.92 -7.23 -0.25 -0.49 120.40 116.78 3c4f s VAL 493 Ca 0.00 -2.04 -0.21 0.00 -1.81 0.00 0.00 61.98 57.92 3c4f s VAL 493 Cb -0.09 -1.83 -0.08 0.00 0.56 0.00 0.00 36.38 34.94 3c4f s VAL 493 CO 0.01 -0.68 0.76 -0.22 -0.31 0.00 0.00 175.10 174.66 3c4f s LEU 494 N -3.09 4.39 0.20 1.32 2.96 -0.08 -0.94 118.68 123.43 3c4f s LEU 494 Ca 0.16 1.51 -0.08 0.00 -0.22 0.00 0.00 54.13 55.51 3c4f s LEU 494 Cb 0.01 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.10 3c4f s LEU 494 CO 0.02 0.05 0.29 0.00 -1.32 0.00 0.00 176.35 175.39 3c4f s ALA 495 N -1.47 0.27 -0.14 5.97 0.00 -0.47 0.70 121.76 126.61 3c4f s ALA 495 Ca 0.43 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 51.29 3c4f s ALA 495 Cb -0.18 1.06 0.01 0.00 0.00 0.00 0.00 23.12 24.01 3c4f s ALA 495 CO 0.22 -0.69 -0.21 -1.21 0.00 0.00 0.00 175.76 173.87 3c4f s GLU 496 N -4.04 2.97 -0.18 0.00 2.02 -0.32 -1.58 118.70 117.57 3c4f s GLU 496 Ca 0.25 -0.83 -0.05 0.00 0.02 0.00 0.00 54.97 54.35 3c4f s GLU 496 Cb 0.03 -2.42 -0.03 0.00 0.10 0.00 0.00 34.13 31.82 3c4f s GLU 496 CO 0.06 -0.04 0.00 0.00 0.02 0.00 0.00 175.26 175.30 3c4f s ALA 497 N 0.88 3.09 -0.09 5.21 0.00 -0.41 -0.07 121.76 130.37 3c4f s ALA 497 Ca -0.06 -0.89 -0.16 0.00 0.00 0.00 0.00 51.96 50.85 3c4f s ALA 497 Cb -0.15 -1.73 -0.05 0.00 0.00 0.00 0.00 23.12 21.19 3c4f s ALA 497 CO -0.03 0.03 0.42 0.42 0.00 0.00 0.00 175.76 176.59 3c4f s ILE 498 N 0.68 5.16 -1.19 0.00 1.01 0.14 -1.50 121.20 125.49 3c4f s ILE 498 Ca -0.00 0.83 -0.07 0.00 0.00 0.00 0.00 60.65 61.41 3c4f s ILE 498 Cb -0.14 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 3c4f s ILE 498 CO 0.02 0.42 0.80 0.61 0.00 0.00 0.00 174.94 176.80 3c4f n GLY 499 N 2.81 -0.69 0.06 6.18 0.00 -0.77 -4.85 105.19 107.94 3c4f n GLY 499 Ca -0.10 0.32 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 3c4f n GLY 499 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3c4f h LEU 500 N -1.68 -0.01 -9.42 0.99 3.38 -1.79 -3.41 115.31 103.37 3c4f h LEU 500 Ca -0.62 -0.56 -0.54 0.00 0.09 0.00 0.00 57.88 56.25 3c4f h LEU 500 Cb 1.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 3c4f h LEU 500 CO 0.51 0.56 0.55 -1.81 0.09 0.00 0.00 178.44 178.33 3c4f s ASP 501 N -5.76 7.15 0.47 -0.43 1.11 -1.26 -4.93 116.67 113.02 3c4f s ASP 501 Ca -0.16 1.86 0.22 0.00 0.18 0.00 0.00 52.55 54.65 3c4f s ASP 501 Cb 0.01 -2.57 1.19 0.00 1.07 0.00 0.00 42.92 42.62 3c4f s ASP 501 CO 0.67 -0.45 1.99 0.50 1.18 0.00 0.00 175.17 179.07 3c4f h LYS 502 N 6.97 0.00 0.00 8.23 3.64 -2.01 -2.72 116.57 130.68 3c4f h LYS 502 Ca -0.39 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.90 3c4f h LYS 502 Cb 1.20 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 3c4f h LYS 502 CO 0.82 0.19 -0.41 -0.44 -2.27 0.00 0.00 179.45 177.34 3c4f h ASP 503 N 0.00 0.00 -2.22 4.20 5.19 -1.95 -3.37 116.42 118.27 3c4f h ASP 503 Ca -0.00 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.82 3c4f h ASP 503 Cb 0.42 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 39.52 3c4f h ASP 503 CO 0.02 0.41 -0.79 0.29 -3.12 0.00 0.00 179.24 176.05 3c4f n LYS 504 N -3.65 1.72 0.08 3.56 5.02 -1.02 -4.96 118.16 118.91 3c4f n LYS 504 Ca -0.01 -4.09 0.09 0.00 -2.02 0.00 0.00 58.31 52.29 3c4f n LYS 504 Cb 0.50 -1.88 0.40 0.00 -0.02 0.00 0.00 35.03 34.03 3c4f n LYS 504 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3c4f n PRO 505 N 1.25 0.11 -0.67 1.97 -0.04 -1.25 -2.82 135.00 133.55 3c4f n PRO 505 Ca 0.26 0.43 0.08 0.00 -0.04 0.00 0.00 63.50 64.23 3c4f n PRO 505 Cb 0.45 -1.74 0.34 0.00 -0.04 0.00 0.00 33.50 32.51 3c4f n PRO 505 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3c4f n ASN 506 N -1.95 4.88 -4.68 3.54 3.02 -1.26 -3.33 115.26 115.48 3c4f n ASN 506 Ca 0.02 -2.79 -0.35 0.00 -0.03 0.00 0.00 54.58 51.43 3c4f n ASN 506 Cb 0.15 -0.60 -0.09 0.00 -0.61 0.00 0.00 39.78 38.62 3c4f n ASN 506 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3c4f s ARG 507 N -2.46 2.95 -0.01 3.52 1.81 -1.13 -4.95 118.95 118.68 3c4f s ARG 507 Ca 0.49 -0.43 0.01 0.00 -1.72 0.00 0.00 55.73 54.07 3c4f s ARG 507 Cb 0.36 -2.77 -0.04 0.00 -0.45 0.00 0.00 34.95 32.05 3c4f s ARG 507 CO 0.16 0.69 0.02 0.14 -0.68 0.00 0.00 175.30 175.64 3c4f s VAL 508 N -0.90 4.30 -0.07 3.52 -7.23 -1.26 -1.84 120.40 116.92 3c4f s VAL 508 Ca 0.14 -0.52 0.04 0.00 -1.81 0.00 0.00 61.98 59.82 3c4f s VAL 508 Cb -0.11 -2.92 0.00 0.00 0.56 0.00 0.00 36.38 33.91 3c4f s VAL 508 CO 0.03 0.39 -0.17 -0.89 -0.31 0.00 0.00 175.10 174.15 3c4f s THR 509 N -1.09 1.52 -0.01 5.32 2.01 -0.57 -4.93 115.64 117.88 3c4f s THR 509 Ca 0.20 -0.72 -0.30 0.00 0.31 0.00 0.00 61.69 61.17 3c4f s THR 509 Cb -0.12 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 3c4f s THR 509 CO 0.10 0.44 1.22 -0.54 -0.69 0.00 0.00 174.62 175.15 3c4f s LYS 510 N 0.35 4.37 0.13 4.92 1.02 -1.26 -1.29 119.74 127.98 3c4f s LYS 510 Ca -0.12 1.73 0.00 0.00 0.02 0.00 0.00 55.97 57.60 3c4f s LYS 510 Cb -0.15 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.62 3c4f s LYS 510 CO 0.05 -0.40 0.02 0.14 -0.92 0.00 0.00 175.35 174.24 3c4f s VAL 511 N 1.87 0.33 0.10 3.17 -7.23 -0.61 -4.39 120.40 113.64 3c4f s VAL 511 Ca 0.58 -1.92 0.04 0.00 -1.81 0.00 0.00 61.98 58.86 3c4f s VAL 511 Cb -0.27 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 3c4f s VAL 511 CO 0.25 -0.55 0.08 0.00 -0.31 0.00 0.00 175.10 174.57 3c4f s ALA 512 N -3.88 3.53 -0.08 1.32 0.00 0.15 -1.37 121.76 121.43 3c4f s ALA 512 Ca 0.21 -1.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 3c4f s ALA 512 Cb 0.07 -1.38 0.04 0.00 0.00 0.00 0.00 23.12 21.84 3c4f s ALA 512 CO 0.01 0.68 0.07 0.08 0.00 0.00 0.00 175.76 176.60 3c4f s VAL 513 N -1.47 -0.11 -0.07 0.00 1.01 -0.11 -0.74 120.40 118.90 3c4f s VAL 513 Ca 0.29 0.27 -0.10 0.00 0.00 0.00 0.00 61.98 62.45 3c4f s VAL 513 Cb -0.12 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.95 3c4f s VAL 513 CO 0.22 0.06 0.24 -0.75 0.00 0.00 0.00 175.10 174.86 3c4f s LYS 514 N 2.17 3.61 0.17 2.72 2.20 -0.71 -1.09 119.74 128.82 3c4f s LYS 514 Ca 0.04 0.06 -0.12 0.00 -0.36 0.00 0.00 55.97 55.59 3c4f s LYS 514 Cb -0.13 -3.20 0.01 0.00 -1.51 0.00 0.00 37.83 33.00 3c4f s LYS 514 CO -0.05 0.74 0.37 0.00 -0.36 0.00 0.00 175.35 176.06 3c4f s MET 515 N -1.08 1.23 0.28 4.03 0.23 -0.60 -1.76 119.30 121.64 3c4f s MET 515 Ca 0.19 -1.05 -0.29 0.00 -1.03 0.00 0.00 55.69 53.51 3c4f s MET 515 Cb -0.14 0.43 -0.10 0.00 -1.53 0.00 0.00 34.83 33.50 3c4f s MET 515 CO 0.08 -0.48 1.10 -0.51 -2.03 0.00 0.00 175.02 173.17 3c4f s LEU 516 N -2.93 4.54 0.90 0.18 1.43 -1.26 -4.22 118.68 117.32 3c4f s LEU 516 Ca 0.14 2.27 -0.11 0.00 -1.03 0.00 0.00 54.13 55.39 3c4f s LEU 516 Cb 0.02 -3.64 0.13 0.00 0.03 0.00 0.00 46.19 42.72 3c4f s LEU 516 CO -0.01 -0.15 1.10 -0.54 0.23 0.00 0.00 176.35 176.97 3c4f s LYS 517 N -1.48 1.24 0.22 1.70 1.02 -1.26 -4.94 119.74 116.23 3c4f s LYS 517 Ca 0.45 1.14 -0.08 0.00 0.02 0.00 0.00 55.97 57.50 3c4f s LYS 517 Cb -0.32 -1.78 0.31 0.00 -0.52 0.00 0.00 37.83 35.52 3c4f s LYS 517 CO 0.41 -2.35 1.75 0.66 -0.92 0.00 0.00 175.35 174.90 3c4f h SER 518 N -1.64 0.27 -1.94 2.83 4.64 -2.04 -2.92 113.55 112.75 3c4f h SER 518 Ca -0.47 0.08 -0.75 0.00 -0.47 0.00 0.00 61.79 60.18 3c4f h SER 518 Cb 1.27 0.05 -0.29 0.00 -0.31 0.00 0.00 62.40 63.13 3c4f h SER 518 CO 0.49 0.15 0.89 -0.90 -0.87 0.00 0.00 176.83 176.59 3c4f n ASP 519 N -4.98 7.26 -4.78 4.97 3.85 -1.26 -5.00 116.55 116.62 3c4f n ASP 519 Ca 0.10 -3.83 -0.39 0.00 -0.71 0.00 0.00 54.79 49.97 3c4f n ASP 519 Cb 0.30 -1.01 -0.06 0.00 -1.35 0.00 0.00 41.12 39.00 3c4f n ASP 519 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3c4f s ALA 520 N -4.02 3.38 0.87 2.12 0.00 -1.11 -5.07 121.76 117.92 3c4f s ALA 520 Ca 0.52 0.41 -0.08 0.00 0.00 0.00 0.00 51.96 52.81 3c4f s ALA 520 Cb 0.44 -3.03 0.18 0.00 0.00 0.00 0.00 23.12 20.71 3c4f s ALA 520 CO -0.39 0.26 1.11 0.25 0.00 0.00 0.00 175.76 176.99 3c4f n THR 521 N 1.26 0.00 0.18 0.00 -2.24 -1.26 -4.97 114.28 107.26 3c4f n THR 521 Ca -0.03 -1.20 0.04 0.00 -2.27 0.00 0.00 64.05 60.59 3c4f n THR 521 Cb 0.49 -1.24 0.33 0.00 -2.10 0.00 0.00 70.33 67.81 3c4f n THR 521 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3c4f h GLU 522 N 0.00 0.00 -0.01 -0.78 9.09 -2.00 -2.96 114.58 117.93 3c4f h GLU 522 Ca -0.36 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 58.85 3c4f h GLU 522 Cb 1.14 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.23 3c4f h GLU 522 CO 0.31 0.40 -0.85 -0.22 0.05 0.00 0.00 179.01 178.70 3c4f h LYS 523 N 0.00 0.26 -0.61 1.06 1.63 -1.99 -1.96 116.57 114.95 3c4f h LYS 523 Ca -0.00 -0.26 -0.06 0.00 -0.85 0.00 0.00 60.65 59.47 3c4f h LYS 523 Cb 0.86 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.54 3c4f h LYS 523 CO 0.05 0.97 0.12 -0.44 -3.45 0.00 0.00 179.45 176.70 3c4f h ASP 524 N 0.15 0.92 -0.14 4.20 3.32 -1.91 -0.74 116.42 122.23 3c4f h ASP 524 Ca -0.05 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 3c4f h ASP 524 Cb 1.47 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 3c4f h ASP 524 CO 0.13 0.91 0.00 0.25 -1.72 0.00 0.00 179.24 178.81 3c4f h LEU 525 N 0.92 0.24 -0.88 1.55 5.85 -1.39 -1.88 115.31 119.73 3c4f h LEU 525 Ca 0.19 -0.30 0.10 0.00 0.84 0.00 0.00 57.88 58.71 3c4f h LEU 525 Cb 0.37 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.26 3c4f h LEU 525 CO 0.00 0.48 0.52 0.28 -0.34 0.00 0.00 178.44 179.39 3c4f h SER 526 N -0.02 0.77 -0.47 1.25 0.02 -1.13 -0.93 113.55 113.04 3c4f h SER 526 Ca 0.04 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.93 3c4f h SER 526 Cb 0.36 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3c4f h SER 526 CO 0.01 0.44 -0.12 0.44 -1.14 0.00 0.00 176.83 176.45 3c4f h ASP 527 N 0.87 0.92 -0.07 3.07 3.32 -1.04 -0.43 116.42 123.07 3c4f h ASP 527 Ca 0.42 -0.36 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 3c4f h ASP 527 Cb 0.36 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3c4f h ASP 527 CO -0.24 1.07 -0.33 0.25 -1.72 0.00 0.00 179.24 178.27 3c4f h LEU 528 N 0.76 0.57 -0.24 1.55 5.85 -0.93 -2.13 115.31 120.74 3c4f h LEU 528 Ca 0.12 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 3c4f h LEU 528 Cb 0.67 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3c4f h LEU 528 CO 0.05 0.87 0.02 0.40 -0.34 0.00 0.00 178.44 179.44 3c4f h ILE 529 N 0.47 1.24 -0.54 4.05 2.04 -0.93 -2.30 117.51 121.54 3c4f h ILE 529 Ca 0.05 -0.83 0.07 0.00 1.00 0.00 0.00 64.86 65.15 3c4f h ILE 529 Cb 0.80 1.31 -0.06 0.00 -0.74 0.00 0.00 36.82 38.14 3c4f h ILE 529 CO 0.07 0.26 0.23 0.28 0.00 0.00 0.00 178.15 178.99 3c4f h SER 530 N 0.21 0.28 -0.18 1.72 0.02 -0.98 -1.20 113.55 113.42 3c4f h SER 530 Ca 0.07 0.05 0.04 0.00 -0.84 0.00 0.00 61.79 61.11 3c4f h SER 530 Cb 0.37 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.88 3c4f h SER 530 CO 0.01 0.19 -0.07 -0.08 -1.14 0.00 0.00 176.83 175.74 3c4f h GLU 531 N 0.44 -0.04 0.03 3.45 4.81 -1.33 0.71 114.58 122.65 3c4f h GLU 531 Ca 0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3c4f h GLU 531 Cb 0.24 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 3c4f h GLU 531 CO -0.22 -0.03 -0.02 1.98 -0.73 0.00 0.00 179.01 179.99 3c4f h MET 532 N -0.04 -0.05 -0.79 1.92 4.05 -0.84 -1.63 114.93 117.54 3c4f h MET 532 Ca 0.09 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.50 3c4f h MET 532 Cb 0.18 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.96 3c4f h MET 532 CO -0.21 -0.03 0.44 0.93 0.23 0.00 0.00 176.91 178.27 3c4f h GLU 533 N -0.05 1.10 -0.41 0.39 4.39 -1.06 -0.28 114.58 118.66 3c4f h GLU 533 Ca 0.00 -0.12 0.01 0.00 0.34 0.00 0.00 59.36 59.59 3c4f h GLU 533 Cb 0.05 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 3c4f h GLU 533 CO -0.00 0.80 0.25 1.98 -1.16 0.00 0.00 179.01 180.88 3c4f h MET 534 N 1.11 0.50 -0.51 2.33 4.05 -0.66 -1.98 114.93 119.77 3c4f h MET 534 Ca 0.28 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.62 3c4f h MET 534 Cb 0.01 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.68 3c4f h MET 534 CO -0.05 0.33 0.11 0.52 0.23 0.00 0.00 176.91 178.05 3c4f h MET 535 N 0.52 0.79 -0.75 0.39 2.86 -0.52 -1.66 114.93 116.55 3c4f h MET 535 Ca 0.16 -0.16 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 3c4f h MET 535 Cb -0.02 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 3c4f h MET 535 CO -0.06 0.72 0.25 0.87 1.06 0.00 0.00 176.91 179.76 3c4f h LYS 536 N 0.76 1.15 -0.13 1.72 1.57 -0.57 -3.20 116.57 117.88 3c4f h LYS 536 Ca 0.17 -0.24 -0.20 0.00 -1.87 0.00 0.00 60.65 58.51 3c4f h LYS 536 Cb 0.31 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3c4f h LYS 536 CO 0.00 0.97 -0.73 0.52 -0.57 0.00 0.00 179.45 179.65 3c4f h MET 537 N 1.11 0.61 0.00 3.15 2.86 -0.97 -3.32 114.93 118.37 3c4f h MET 537 Ca 0.24 -0.48 -0.04 0.00 -2.06 0.00 0.00 59.70 57.36 3c4f h MET 537 Cb 0.29 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 3c4f h MET 537 CO -0.01 1.10 -0.19 0.82 1.06 0.00 0.00 176.91 179.69 3c4f h ILE 538 N 0.42 0.73 0.00 -1.22 2.04 -1.31 -3.49 117.51 114.68 3c4f h ILE 538 Ca -0.03 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.05 3c4f h ILE 538 Cb 1.32 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.88 3c4f h ILE 538 CO 0.14 0.18 0.00 0.61 0.00 0.00 0.00 178.15 179.08 3c4f n GLY 539 N -0.53 -1.33 3.80 5.37 0.00 -1.24 -4.95 105.19 106.31 3c4f n GLY 539 Ca -0.02 -1.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.08 3c4f n GLY 539 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3c4f s LYS 540 N -1.10 4.33 -0.19 1.61 -0.14 -1.26 -4.98 119.74 118.02 3c4f s LYS 540 Ca 0.00 0.88 -0.16 0.00 -1.36 0.00 0.00 55.97 55.33 3c4f s LYS 540 Cb 0.00 -3.25 0.05 0.00 -1.68 0.00 0.00 37.83 32.95 3c4f s LYS 540 CO 0.00 0.61 0.49 -1.58 -0.76 0.00 0.00 175.35 174.11 3c4f s HIS 541 N -1.10 -0.56 0.55 3.18 2.46 -1.26 -5.04 115.29 113.52 3c4f s HIS 541 Ca 0.31 1.34 0.28 0.00 0.47 0.00 0.00 55.06 57.47 3c4f s HIS 541 Cb -0.21 0.21 1.46 0.00 -0.13 0.00 0.00 32.58 33.91 3c4f s HIS 541 CO 0.21 -0.28 1.94 -0.22 -2.47 0.00 0.00 174.74 173.93 3c4f h LYS 542 N 5.58 0.00 -0.50 2.88 3.64 -1.98 -2.58 116.57 123.61 3c4f h LYS 542 Ca -0.28 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 58.90 3c4f h LYS 542 Cb 1.18 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.88 3c4f h LYS 542 CO 0.20 0.00 0.12 0.09 -2.27 0.00 0.00 179.45 177.59 3c4f n ASN 543 N -4.14 3.43 -4.31 4.20 4.13 -1.26 -4.76 115.26 112.55 3c4f n ASN 543 Ca 0.11 -3.48 -0.17 0.00 1.68 0.00 0.00 54.58 52.73 3c4f n ASN 543 Cb 0.71 -0.67 -0.10 0.00 -1.54 0.00 0.00 39.78 38.18 3c4f n ASN 543 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3c4f s ILE 544 N -3.12 1.44 -0.45 2.41 -4.36 -0.97 -0.91 121.20 115.24 3c4f s ILE 544 Ca 0.48 -2.13 -0.29 0.00 -0.26 0.00 0.00 60.65 58.45 3c4f s ILE 544 Cb 0.41 -2.00 0.03 0.00 1.25 0.00 0.00 42.46 42.14 3c4f s ILE 544 CO 0.06 -0.63 1.15 -0.63 0.24 0.00 0.00 174.94 175.13 3c4f s ILE 545 N -3.16 4.23 0.19 8.37 -1.09 -0.33 -4.66 121.20 124.76 3c4f s ILE 545 Ca 0.21 1.29 -0.18 0.00 -2.23 0.00 0.00 60.65 59.73 3c4f s ILE 545 Cb 0.01 -4.55 -0.08 0.00 -1.58 0.00 0.00 42.46 36.26 3c4f s ILE 545 CO 0.04 -0.91 0.67 0.20 -1.23 0.00 0.00 174.94 173.72 3c4f s ASN 546 N 2.42 7.01 0.32 3.58 0.01 -1.26 -4.86 114.94 122.16 3c4f s ASN 546 Ca 0.48 1.33 -0.29 0.00 -0.71 0.00 0.00 52.86 53.68 3c4f s ASN 546 Cb -0.08 -2.39 -0.10 0.00 0.41 0.00 0.00 41.25 39.09 3c4f s ASN 546 CO 0.29 0.07 1.21 -0.22 -1.51 0.00 0.00 177.10 176.94 3c4f s LEU 547 N -1.90 4.45 0.00 0.60 2.96 -1.26 -1.78 118.68 121.75 3c4f s LEU 547 Ca 0.41 2.49 0.00 0.00 -0.22 0.00 0.00 54.13 56.81 3c4f s LEU 547 Cb -0.17 -3.68 0.00 0.00 0.50 0.00 0.00 46.19 42.84 3c4f s LEU 547 CO 0.21 -0.39 0.00 0.18 -1.32 0.00 0.00 176.35 175.02 3c4f n LEU 548 N 0.87 0.00 0.00 -0.68 4.77 0.54 -4.91 117.00 117.59 3c4f n LEU 548 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3c4f n LEU 548 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3c4f n LEU 548 CO 0.56 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3c4f n GLY 549 N 2.54 -1.26 3.48 -0.72 0.00 -0.98 -5.00 105.19 103.26 3c4f n GLY 549 Ca 0.00 -0.92 -0.16 0.00 0.00 0.00 0.00 46.02 44.94 3c4f n GLY 549 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3c4f s ALA 550 N -1.41 -1.70 -0.24 4.61 0.00 -0.56 -1.09 121.76 121.36 3c4f s ALA 550 Ca 0.00 1.02 0.02 0.00 0.00 0.00 0.00 51.96 53.00 3c4f s ALA 550 Cb 0.00 0.32 0.05 0.00 0.00 0.00 0.00 23.12 23.49 3c4f s ALA 550 CO 0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 175.76 175.14 3c4f n THR 552 N 4.52 0.00 -4.51 0.00 -2.24 -1.26 -1.30 114.28 109.49 3c4f n THR 552 Ca -0.15 -0.43 -0.34 0.00 -2.27 0.00 0.00 64.05 60.86 3c4f n THR 552 Cb 0.44 1.01 -0.11 0.00 -2.10 0.00 0.00 70.33 69.57 3c4f n THR 552 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3c4f s GLN 553 N -1.19 2.94 -0.94 -0.78 -1.52 -1.26 -4.66 119.66 112.24 3c4f s GLN 553 Ca 0.02 -0.49 -0.10 0.00 -1.95 0.00 0.00 55.36 52.83 3c4f s GLN 553 Cb 0.03 -2.70 0.00 0.00 -0.22 0.00 0.00 33.01 30.12 3c4f s GLN 553 CO 0.13 0.63 0.69 -0.25 -0.25 0.00 0.00 175.29 176.24 3c4f n ASP 554 N 2.34 -5.58 0.00 5.90 8.00 -1.26 -4.88 116.55 121.07 3c4f n ASP 554 Ca -0.18 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.50 3c4f n ASP 554 Cb 0.53 -2.99 0.00 0.00 -0.02 0.00 0.00 41.12 38.64 3c4f n ASP 554 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3c4f n GLY 555 N -1.73 0.60 3.76 0.44 0.00 -1.26 -5.09 105.19 101.90 3c4f n GLY 555 Ca -0.16 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 43.76 3c4f n GLY 555 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3c4f s PRO 556 N -1.38 3.27 0.05 1.61 0.04 -1.26 -4.90 135.00 132.43 3c4f s PRO 556 Ca 0.00 1.96 -0.31 0.00 0.04 0.00 0.00 61.00 62.69 3c4f s PRO 556 Cb 0.00 -2.19 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 3c4f s PRO 556 CO 0.00 -1.00 1.40 -1.17 0.04 0.00 0.00 177.00 176.26 3c4f s LEU 557 N -3.56 4.34 -0.07 -3.56 2.96 -1.26 -4.74 118.68 112.79 3c4f s LEU 557 Ca 0.71 2.20 0.04 0.00 -0.22 0.00 0.00 54.13 56.86 3c4f s LEU 557 Cb -0.33 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.77 3c4f s LEU 557 CO 0.39 -0.69 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.22 3c4f s TYR 558 N 1.88 2.58 -0.29 5.38 2.02 -0.42 -4.39 117.35 124.11 3c4f s TYR 558 Ca 0.64 -0.58 -0.01 0.00 -0.37 0.00 0.00 57.07 56.75 3c4f s TYR 558 Cb -0.34 -1.66 0.05 0.00 -0.40 0.00 0.00 41.96 39.62 3c4f s TYR 558 CO 0.28 -0.13 -0.02 0.08 -1.57 0.00 0.00 175.55 174.19 3c4f s VAL 559 N -0.17 2.81 -0.22 0.71 1.01 -0.72 -2.14 120.40 121.67 3c4f s VAL 559 Ca -0.02 -1.45 -0.18 0.00 0.00 0.00 0.00 61.98 60.33 3c4f s VAL 559 Cb -0.14 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 3c4f s VAL 559 CO 0.03 -0.10 0.50 -0.63 0.00 0.00 0.00 175.10 174.91 3c4f s ILE 560 N 1.22 5.11 0.30 2.22 1.01 -0.25 -1.74 121.20 129.07 3c4f s ILE 560 Ca -0.06 0.89 0.03 0.00 0.00 0.00 0.00 60.65 61.51 3c4f s ILE 560 Cb -0.20 -3.82 -0.06 0.00 0.01 0.00 0.00 42.46 38.39 3c4f s ILE 560 CO -0.02 0.16 0.07 0.68 0.00 0.00 0.00 174.94 175.83 3c4f s VAL 561 N 1.80 0.94 0.42 2.92 -7.23 0.08 -0.34 120.40 118.99 3c4f s VAL 561 Ca 0.22 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.14 3c4f s VAL 561 Cb -0.15 -2.73 -0.09 0.00 0.56 0.00 0.00 36.38 33.97 3c4f s VAL 561 CO 0.09 0.00 1.34 -1.61 -0.31 0.00 0.00 175.10 174.62 3c4f s GLU 562 N -3.94 3.90 0.01 4.82 2.02 -0.73 -0.68 118.70 124.09 3c4f s GLU 562 Ca 0.37 2.24 -0.17 0.00 0.02 0.00 0.00 54.97 57.43 3c4f s GLU 562 Cb 0.08 -2.74 -0.06 0.00 0.10 0.00 0.00 34.13 31.52 3c4f s GLU 562 CO 0.15 -0.58 0.49 -0.47 0.02 0.00 0.00 175.26 174.86 3c4f s TYR 563 N -1.24 3.72 -0.48 1.61 5.04 -1.26 -4.39 117.35 120.35 3c4f s TYR 563 Ca 0.58 1.09 0.04 0.00 -2.44 0.00 0.00 57.07 56.34 3c4f s TYR 563 Cb -0.40 -2.43 0.13 0.00 0.35 0.00 0.00 41.96 39.61 3c4f s TYR 563 CO 0.51 0.53 0.23 0.00 -1.34 0.00 0.00 175.55 175.48 3c4f s ALA 564 N -0.77 3.02 0.19 3.97 0.00 -1.26 -4.80 121.76 122.11 3c4f s ALA 564 Ca 0.26 -3.03 0.34 0.00 0.00 0.00 0.00 51.96 49.54 3c4f s ALA 564 Cb -0.18 -2.08 1.73 0.00 0.00 0.00 0.00 23.12 22.60 3c4f s ALA 564 CO 0.15 -1.98 2.04 0.66 0.00 0.00 0.00 175.76 176.63 3c4f h SER 565 N 6.71 0.00 -0.64 0.00 4.64 -1.83 -3.13 113.55 119.30 3c4f h SER 565 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3c4f h SER 565 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3c4f h SER 565 CO 0.63 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.88 3c4f n LYS 566 N -2.76 2.85 0.00 4.77 5.02 -0.72 -4.94 118.16 122.38 3c4f n LYS 566 Ca -0.01 -2.56 0.00 0.00 -2.02 0.00 0.00 58.31 53.72 3c4f n LYS 566 Cb 0.12 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 3c4f n LYS 566 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3c4f n GLY 567 N 1.34 -1.77 3.82 0.72 0.00 -1.18 -4.45 105.19 103.67 3c4f n GLY 567 Ca 0.22 -1.34 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 3c4f n GLY 567 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3c4f s ASN 568 N -4.00 6.12 0.34 1.61 2.20 -1.26 -1.26 114.94 118.69 3c4f s ASN 568 Ca 0.00 1.68 0.02 0.00 -0.94 0.00 0.00 52.86 53.62 3c4f s ASN 568 Cb 0.00 -2.52 0.61 0.00 -2.00 0.00 0.00 41.25 37.34 3c4f s ASN 568 CO 0.00 -0.94 1.95 0.25 -2.94 0.00 0.00 177.10 175.42 3c4f h LEU 569 N 0.49 0.66 0.04 3.54 5.85 -0.62 -1.40 115.31 123.87 3c4f h LEU 569 Ca -0.46 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.21 3c4f h LEU 569 Cb 1.20 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 3c4f h LEU 569 CO 0.59 0.56 -0.14 -0.09 -0.34 0.00 0.00 178.44 179.03 3c4f h ARG 570 N 0.74 -0.24 -0.07 1.25 2.43 -1.85 -0.89 114.38 115.75 3c4f h ARG 570 Ca 0.18 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 3c4f h ARG 570 Cb 0.08 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3c4f h ARG 570 CO -0.03 -0.16 0.04 0.93 -1.51 0.00 0.00 179.97 179.24 3c4f h GLU 571 N -0.25 0.09 -0.52 0.20 5.08 -1.80 -1.03 114.58 116.35 3c4f h GLU 571 Ca 0.03 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.49 3c4f h GLU 571 Cb 0.29 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.42 3c4f h GLU 571 CO -0.10 0.15 -0.07 -0.92 -1.00 0.00 0.00 179.01 177.06 3c4f h TYR 572 N 0.02 -0.16 -0.24 4.33 5.03 -1.15 -1.12 116.97 123.66 3c4f h TYR 572 Ca 0.02 0.04 -0.07 0.00 2.58 0.00 0.00 58.73 61.31 3c4f h TYR 572 Cb 0.08 0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.51 3c4f h TYR 572 CO -0.05 -0.18 -0.12 -0.07 -1.32 0.00 0.00 178.16 176.42 3c4f h LEU 573 N 0.05 0.53 -0.80 2.82 3.38 -0.95 -3.07 115.31 117.27 3c4f h LEU 573 Ca 0.26 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.86 3c4f h LEU 573 Cb 0.40 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3c4f h LEU 573 CO -0.49 0.83 0.50 1.56 0.09 0.00 0.00 178.44 180.93 3c4f h GLN 574 N 0.23 0.93 0.00 1.13 4.20 -0.72 -1.65 115.11 119.24 3c4f h GLN 574 Ca 0.05 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3c4f h GLN 574 Cb 0.63 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3c4f h GLN 574 CO 0.04 0.62 0.00 0.00 -0.67 0.00 0.00 178.83 178.81 3c4f h ALA 575 N 1.36 1.00 -0.58 3.87 0.00 -1.22 -2.47 119.26 121.21 3c4f h ALA 575 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3c4f h ALA 575 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3c4f h ALA 575 CO -0.14 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.65 3c4f n ARG 576 N -2.99 2.96 -1.77 0.00 1.74 -0.63 -4.03 116.66 111.93 3c4f n ARG 576 Ca 0.00 -2.35 -0.32 0.00 -0.77 0.00 0.00 57.85 54.41 3c4f n ARG 576 Cb 0.28 -1.67 0.04 0.00 -1.02 0.00 0.00 32.46 30.08 3c4f n ARG 576 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3c4f s ARG 577 N -1.54 2.99 0.27 5.56 0.52 -0.93 -4.27 118.95 121.55 3c4f s ARG 577 Ca 0.43 1.18 -0.30 0.00 -0.52 0.00 0.00 55.73 56.52 3c4f s ARG 577 Cb 0.25 -1.99 -0.10 0.00 0.52 0.00 0.00 34.95 33.63 3c4f s ARG 577 CO 0.24 -1.08 1.44 -2.14 0.02 0.00 0.00 175.30 173.79 3c4f s PRO 578 N -4.41 4.26 -0.05 3.54 0.02 -1.26 -4.94 135.00 132.15 3c4f s PRO 578 Ca 0.63 2.33 -0.05 0.00 0.02 0.00 0.00 61.00 63.92 3c4f s PRO 578 Cb -0.17 -3.09 -0.03 0.00 0.02 0.00 0.00 34.50 31.23 3c4f s PRO 578 CO 0.44 -0.42 0.26 -1.00 -0.33 0.00 0.00 177.00 175.95 3c4f h PRO 579 N 4.77 -0.18 0.00 5.54 0.13 -1.96 -3.53 132.00 136.76 3c4f h PRO 579 Ca -0.47 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3c4f h PRO 579 Cb 1.22 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3c4f h PRO 579 CO 0.76 -0.12 0.00 0.39 -0.23 0.00 0.00 178.00 178.80 3c4f n GLU 592 N -4.12 0.00 -0.97 0.86 -0.58 -1.26 -5.29 120.64 109.28 3c4f n GLU 592 Ca -0.02 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.33 3c4f n GLU 592 Cb 0.07 -0.07 -0.06 0.00 -0.57 0.00 0.00 31.44 30.81 3c4f n GLU 592 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3c4f n GLU 593 N -1.58 0.00 -1.00 3.49 -0.58 -1.26 -4.53 120.64 115.17 3c4f n GLU 593 Ca 0.00 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.41 3c4f n GLU 593 Cb 0.00 -0.87 0.13 0.00 -0.57 0.00 0.00 31.44 30.13 3c4f n GLU 593 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3c4f n GLN 594 N 2.67 0.02 -3.83 3.49 6.02 -1.26 -4.83 117.38 119.65 3c4f n GLN 594 Ca 0.20 0.08 -0.36 0.00 -0.01 0.00 0.00 57.00 56.92 3c4f n GLN 594 Cb -0.03 -2.36 -0.07 0.00 1.02 0.00 0.00 30.24 28.80 3c4f n GLN 594 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3c4f s LEU 595 N -5.32 4.28 0.77 1.08 1.43 -1.26 -5.09 118.68 114.57 3c4f s LEU 595 Ca 0.71 0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 54.05 3c4f s LEU 595 Cb -0.28 -2.07 0.05 0.00 0.03 0.00 0.00 46.19 43.93 3c4f s LEU 595 CO 0.54 0.31 1.08 -0.94 0.23 0.00 0.00 176.35 177.57 3c4f s SER 596 N -0.41 4.66 0.36 2.29 1.04 -1.26 -4.91 113.70 115.47 3c4f s SER 596 Ca 0.12 1.48 0.04 0.00 0.48 0.00 0.00 55.95 58.07 3c4f s SER 596 Cb -0.12 -2.26 0.69 0.00 0.10 0.00 0.00 66.02 64.43 3c4f s SER 596 CO 0.01 -1.88 1.99 0.28 0.98 0.00 0.00 173.24 174.62 3c4f h SER 597 N -1.03 0.70 -0.37 7.02 0.02 -1.88 -2.00 113.55 116.00 3c4f h SER 597 Ca -0.46 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.36 3c4f h SER 597 Cb 1.25 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 3c4f h SER 597 CO 0.57 0.48 -0.21 0.50 -1.14 0.00 0.00 176.83 177.03 3c4f h LYS 598 N 0.81 0.87 -0.56 3.45 3.64 -1.77 -2.55 116.57 120.46 3c4f h LYS 598 Ca 0.27 -0.36 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 3c4f h LYS 598 Cb 0.07 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 3c4f h LYS 598 CO -0.08 1.00 0.19 -0.44 -2.27 0.00 0.00 179.45 177.85 3c4f h ASP 599 N 0.76 0.76 -0.35 4.20 3.32 -1.70 0.12 116.42 123.51 3c4f h ASP 599 Ca 0.10 -0.11 -0.14 0.00 0.02 0.00 0.00 57.03 56.90 3c4f h ASP 599 Cb 0.75 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3c4f h ASP 599 CO 0.06 0.71 -0.34 -0.07 -1.72 0.00 0.00 179.24 177.87 3c4f h LEU 600 N 0.81 0.91 -0.48 1.55 3.38 -1.30 -1.30 115.31 118.87 3c4f h LEU 600 Ca 0.19 -0.47 -0.14 0.00 0.09 0.00 0.00 57.88 57.55 3c4f h LEU 600 Cb 0.21 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3c4f h LEU 600 CO -0.01 1.19 -0.32 0.58 0.09 0.00 0.00 178.44 179.97 3c4f h VAL 601 N 0.65 1.27 -0.64 1.22 2.07 -1.27 -2.24 116.25 117.32 3c4f h VAL 601 Ca 0.06 -1.49 0.02 0.00 0.82 0.00 0.00 66.70 66.11 3c4f h VAL 601 Cb 0.93 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 3c4f h VAL 601 CO 0.09 0.50 0.42 -1.28 0.02 0.00 0.00 177.57 177.32 3c4f h SER 602 N 0.76 0.71 -0.33 0.57 0.87 -0.83 -0.22 113.55 115.07 3c4f h SER 602 Ca 0.08 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 3c4f h SER 602 Cb 0.89 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 3c4f h SER 602 CO 0.08 0.50 0.14 0.00 -0.53 0.00 0.00 176.83 177.03 3c4f h ALA 604 N 0.99 0.89 -0.12 0.00 0.00 -0.59 -2.76 119.26 117.66 3c4f h ALA 604 Ca 0.11 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3c4f h ALA 604 Cb 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3c4f h ALA 604 CO -0.01 0.42 0.05 -0.92 0.00 0.00 0.00 179.25 178.79 3c4f h TYR 605 N 0.95 0.10 -0.84 0.00 3.20 -0.92 0.77 116.97 120.22 3c4f h TYR 605 Ca 0.24 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 3c4f h TYR 605 Cb 0.06 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 3c4f h TYR 605 CO -0.00 0.06 0.50 1.96 -1.64 0.00 0.00 178.16 179.03 3c4f h GLN 606 N 0.12 1.14 -0.46 1.82 4.20 -1.33 -0.11 115.11 120.49 3c4f h GLN 606 Ca 0.05 -0.11 -0.14 0.00 0.06 0.00 0.00 58.65 58.51 3c4f h GLN 606 Cb 0.01 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.54 3c4f h GLN 606 CO -0.04 0.81 -0.26 0.28 -0.67 0.00 0.00 178.83 178.95 3c4f h VAL 607 N 1.15 1.27 -0.08 -0.54 2.07 -1.20 -1.32 116.25 117.61 3c4f h VAL 607 Ca 0.30 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 3c4f h VAL 607 Cb -0.04 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3c4f h VAL 607 CO -0.06 0.49 -0.08 0.00 0.02 0.00 0.00 177.57 177.94 3c4f h ALA 608 N 0.86 1.72 -0.13 1.67 0.00 -0.11 -1.31 119.26 121.97 3c4f h ALA 608 Ca 0.10 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3c4f h ALA 608 Cb 0.84 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3c4f h ALA 608 CO 0.07 0.21 -0.31 -0.09 0.00 0.00 0.00 179.25 179.13 3c4f h ARG 609 N 0.11 0.44 -0.41 0.00 2.43 -0.65 -0.40 114.38 115.91 3c4f h ARG 609 Ca 0.03 -0.30 0.04 0.00 -0.81 0.00 0.00 59.98 58.93 3c4f h ARG 609 Cb 0.23 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 3c4f h ARG 609 CO 0.01 0.91 0.18 0.78 -1.51 0.00 0.00 179.97 180.34 3c4f h GLY 610 N 0.04 0.54 1.47 2.80 0.00 -0.88 -2.05 103.07 104.98 3c4f h GLY 610 Ca -0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.12 3c4f h GLY 610 CO 0.07 0.07 -0.17 -0.33 0.00 0.00 0.00 176.54 176.17 3c4f h MET 611 N 0.36 0.63 -0.70 4.80 2.86 -1.16 -0.93 114.93 120.79 3c4f h MET 611 Ca 0.18 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 3c4f h MET 611 Cb 0.13 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 3c4f h MET 611 CO -0.15 0.77 0.30 1.49 1.06 0.00 0.00 176.91 180.38 3c4f h GLU 612 N 0.57 1.03 -0.08 1.72 4.81 -0.89 0.88 114.58 122.62 3c4f h GLU 612 Ca 0.09 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3c4f h GLU 612 Cb 0.61 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 3c4f h GLU 612 CO 0.04 0.84 0.02 -0.92 -0.73 0.00 0.00 179.01 178.26 3c4f h TYR 613 N 0.99 0.13 -0.48 0.92 3.20 -0.97 -1.11 116.97 119.65 3c4f h TYR 613 Ca 0.24 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.10 3c4f h TYR 613 Cb 0.17 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 3c4f h TYR 613 CO 0.01 0.32 0.30 -0.07 -1.64 0.00 0.00 178.16 177.08 3c4f h LEU 614 N -0.09 0.50 -1.17 2.82 3.38 -0.90 -1.87 115.31 117.97 3c4f h LEU 614 Ca 0.02 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3c4f h LEU 614 Cb 0.25 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3c4f h LEU 614 CO 0.00 0.36 0.34 0.00 0.09 0.00 0.00 178.44 179.23 3c4f h ALA 615 N 1.20 1.36 0.00 1.53 0.00 -0.72 -1.27 119.26 121.35 3c4f h ALA 615 Ca 0.19 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3c4f h ALA 615 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3c4f h ALA 615 CO -0.07 0.51 -0.21 0.66 0.00 0.00 0.00 179.25 180.15 3c4f h SER 616 N 0.92 0.00 -0.42 0.00 4.64 -0.51 -0.62 113.55 117.57 3c4f h SER 616 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3c4f h SER 616 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3c4f h SER 616 CO -0.04 0.21 0.00 0.29 -0.87 0.00 0.00 176.83 176.42 3c4f n LYS 617 N -3.50 2.80 -1.35 4.77 4.76 -0.56 -4.94 118.16 120.13 3c4f n LYS 617 Ca -0.01 -1.84 -0.12 0.00 -2.87 0.00 0.00 58.31 53.47 3c4f n LYS 617 Cb 0.37 -1.68 -0.05 0.00 -1.84 0.00 0.00 35.03 31.83 3c4f n LYS 617 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3c4f n LYS 618 N 0.63 -0.89 -3.48 1.97 4.76 -0.24 -4.98 118.16 115.92 3c4f n LYS 618 Ca 0.17 0.92 -0.37 0.00 -2.87 0.00 0.00 58.31 56.15 3c4f n LYS 618 Cb 0.63 -4.95 -0.07 0.00 -1.84 0.00 0.00 35.03 28.79 3c4f n LYS 618 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3c4f s ILE 620 N 0.87 4.23 -0.00 0.00 1.01 -1.26 -3.92 121.20 122.13 3c4f s ILE 620 Ca 0.17 -0.22 -0.24 0.00 0.00 0.00 0.00 60.65 60.36 3c4f s ILE 620 Cb -0.14 -2.92 -0.14 0.00 0.01 0.00 0.00 42.46 39.27 3c4f s ILE 620 CO 0.06 0.42 1.06 -0.74 0.00 0.00 0.00 174.94 175.74 3c4f h HIS 621 N 7.38 -0.58 0.00 3.97 2.76 -1.92 -3.48 115.15 123.29 3c4f h HIS 621 Ca -0.36 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.80 3c4f h HIS 621 Cb 1.18 0.19 0.00 0.00 1.55 0.00 0.00 27.41 30.33 3c4f h HIS 621 CO 0.60 -0.26 0.00 0.54 -1.30 0.00 0.00 177.93 177.51 3c4f n ARG 622 N -5.22 0.00 -2.76 5.26 1.74 -1.26 -4.80 116.66 109.62 3c4f n ARG 622 Ca -0.10 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.88 3c4f n ARG 622 Cb 0.30 -0.86 0.03 0.00 -1.02 0.00 0.00 32.46 30.91 3c4f n ARG 622 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3c4f n ASP 623 N 0.00 1.04 -4.69 0.55 2.03 -1.26 -4.98 116.55 109.24 3c4f n ASP 623 Ca 0.00 -2.77 -0.42 0.00 0.52 0.00 0.00 54.79 52.12 3c4f n ASP 623 Cb 0.00 -0.40 -0.03 0.00 -0.72 0.00 0.00 41.12 39.97 3c4f n ASP 623 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3c4f s LEU 624 N -2.98 4.30 0.04 -2.67 2.96 -1.26 -4.78 118.68 114.29 3c4f s LEU 624 Ca 0.29 1.98 -0.28 0.00 -0.22 0.00 0.00 54.13 55.90 3c4f s LEU 624 Cb 0.43 -3.56 0.09 0.00 0.50 0.00 0.00 46.19 43.65 3c4f s LEU 624 CO 0.01 -0.64 0.93 0.00 -1.32 0.00 0.00 176.35 175.32 3c4f s ALA 625 N 2.21 -1.79 0.45 5.97 0.00 -1.26 -4.63 121.76 122.71 3c4f s ALA 625 Ca 0.60 0.73 0.10 0.00 0.00 0.00 0.00 51.96 53.40 3c4f s ALA 625 Cb -0.28 0.48 1.00 0.00 0.00 0.00 0.00 23.12 24.31 3c4f s ALA 625 CO 0.25 -0.81 2.09 0.00 0.00 0.00 0.00 175.76 177.28 3c4f h ALA 626 N 2.00 1.82 0.00 0.00 0.00 -1.92 -1.38 119.26 119.78 3c4f h ALA 626 Ca -0.23 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3c4f h ALA 626 Cb 1.24 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3c4f h ALA 626 CO 0.29 0.16 -0.16 0.07 0.00 0.00 0.00 179.25 179.62 3c4f h ARG 627 N 0.37 0.00 -0.60 0.00 0.11 -1.95 -2.38 114.38 109.93 3c4f h ARG 627 Ca 0.11 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.12 3c4f h ARG 627 Cb -0.02 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.02 3c4f h ARG 627 CO -0.02 0.16 0.09 0.09 0.10 0.00 0.00 179.97 180.38 3c4f n ASN 628 N -3.62 5.30 -4.27 0.08 3.02 -0.53 -4.77 115.26 110.48 3c4f n ASN 628 Ca -0.01 -3.05 -0.33 0.00 -0.03 0.00 0.00 54.58 51.16 3c4f n ASN 628 Cb 0.29 -0.70 -0.15 0.00 -0.61 0.00 0.00 39.78 38.61 3c4f n ASN 628 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3c4f s VAL 629 N -2.86 2.59 0.19 2.41 1.01 -0.92 -0.72 120.40 122.09 3c4f s VAL 629 Ca 0.54 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.78 3c4f s VAL 629 Cb 0.42 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3c4f s VAL 629 CO 0.14 0.53 0.04 -0.76 0.00 0.00 0.00 175.10 175.05 3c4f s LEU 630 N 0.63 3.44 -0.10 3.92 1.43 0.76 -0.64 118.68 128.13 3c4f s LEU 630 Ca -0.09 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 52.69 3c4f s LEU 630 Cb -0.16 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.00 3c4f s LEU 630 CO 0.03 0.07 -0.22 -0.69 0.23 0.00 0.00 176.35 175.76 3c4f s VAL 631 N -1.82 1.92 0.93 -1.59 1.01 -0.39 -0.09 120.40 120.37 3c4f s VAL 631 Ca 0.29 -0.93 -0.13 0.00 0.00 0.00 0.00 61.98 61.21 3c4f s VAL 631 Cb -0.09 -1.67 0.20 0.00 0.00 0.00 0.00 36.38 34.82 3c4f s VAL 631 CO 0.20 0.53 1.27 0.42 0.00 0.00 0.00 175.10 177.52 3c4f s THR 632 N 0.46 2.01 0.45 3.92 -4.23 -0.71 -1.76 115.64 115.78 3c4f s THR 632 Ca -0.17 -0.13 0.13 0.00 -1.18 0.00 0.00 61.69 60.34 3c4f s THR 632 Cb -0.17 -2.88 0.23 0.00 1.34 0.00 0.00 72.50 71.01 3c4f s THR 632 CO 0.07 0.00 2.05 -0.08 -0.54 0.00 0.00 174.62 176.12 3c4f h GLU 633 N -1.47 0.15 -0.90 3.99 4.57 -1.92 -2.58 114.58 116.42 3c4f h GLU 633 Ca -0.42 -0.02 -0.32 0.00 -1.18 0.00 0.00 59.36 57.42 3c4f h GLU 633 Cb 1.23 -0.03 -0.19 0.00 -0.16 0.00 0.00 28.75 29.60 3c4f h GLU 633 CO 0.35 0.19 0.41 -0.25 -1.18 0.00 0.00 179.01 178.53 3c4f n ASP 634 N -4.42 4.04 -2.56 1.04 8.00 -1.26 -4.93 116.55 116.46 3c4f n ASP 634 Ca -0.01 -3.22 -0.19 0.00 0.71 0.00 0.00 54.79 52.08 3c4f n ASP 634 Cb 0.16 -0.76 -0.00 0.00 -0.02 0.00 0.00 41.12 40.50 3c4f n ASP 634 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3c4f n ASN 635 N -0.51 -5.29 -4.75 -2.24 3.02 -0.97 -4.98 115.26 99.53 3c4f n ASN 635 Ca 0.44 -0.02 -0.39 0.00 -0.03 0.00 0.00 54.58 54.58 3c4f n ASN 635 Cb 1.39 -4.40 -0.05 0.00 -0.61 0.00 0.00 39.78 36.10 3c4f n ASN 635 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3c4f s VAL 636 N -2.94 4.99 -0.02 2.41 1.01 -1.26 -4.85 120.40 119.75 3c4f s VAL 636 Ca 0.07 1.24 -0.21 0.00 0.00 0.00 0.00 61.98 63.08 3c4f s VAL 636 Cb -0.03 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 3c4f s VAL 636 CO 0.08 0.36 0.60 -0.04 0.00 0.00 0.00 175.10 176.10 3c4f s MET 637 N 0.18 4.33 -0.07 2.72 1.00 -1.26 -1.74 119.30 124.46 3c4f s MET 637 Ca 0.32 0.73 -0.00 0.00 0.00 0.00 0.00 55.69 56.73 3c4f s MET 637 Cb -0.18 -3.36 0.02 0.00 0.00 0.00 0.00 34.83 31.32 3c4f s MET 637 CO 0.16 0.33 -0.03 0.15 0.00 0.00 0.00 175.02 175.63 3c4f s LYS 638 N -0.07 0.91 0.06 2.03 1.02 0.88 -4.31 119.74 120.26 3c4f s LYS 638 Ca 0.31 -0.06 -0.30 0.00 0.02 0.00 0.00 55.97 55.94 3c4f s LYS 638 Cb -0.18 -1.07 -0.05 0.00 -0.52 0.00 0.00 37.83 36.00 3c4f s LYS 638 CO 0.17 -0.21 1.16 0.42 -0.92 0.00 0.00 175.35 175.97 3c4f s ILE 639 N 1.53 4.16 0.26 2.17 1.01 -0.09 -0.17 121.20 130.07 3c4f s ILE 639 Ca -0.01 1.56 0.09 0.00 0.00 0.00 0.00 60.65 62.29 3c4f s ILE 639 Cb -0.13 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 3c4f s ILE 639 CO -0.04 0.13 0.07 0.00 0.00 0.00 0.00 174.94 175.09 3c4f s ALA 640 N 1.00 3.31 -1.55 9.38 0.00 0.10 -1.19 121.76 132.82 3c4f s ALA 640 Ca 0.57 -1.56 -0.05 0.00 0.00 0.00 0.00 51.96 50.93 3c4f s ALA 640 Cb -0.28 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 21.89 3c4f s ALA 640 CO 0.29 0.27 0.53 -0.25 0.00 0.00 0.00 175.76 176.60 3c4f n ASP 641 N -0.96 -5.83 0.03 0.00 9.92 -1.26 -4.82 116.55 113.62 3c4f n ASP 641 Ca -0.07 -0.26 0.14 0.00 -0.53 0.00 0.00 54.79 54.06 3c4f n ASP 641 Cb 0.58 -4.73 0.53 0.00 -0.64 0.00 0.00 41.12 36.86 3c4f n ASP 641 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 3c4f n PHE 642 N -4.39 0.24 -1.26 1.24 1.16 -1.26 -3.64 117.46 109.56 3c4f n PHE 642 Ca -0.12 0.07 0.08 0.00 -1.87 0.00 0.00 57.45 55.62 3c4f n PHE 642 Cb 0.62 -0.59 0.17 0.00 -1.61 0.00 0.00 39.48 38.07 3c4f n PHE 642 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3c4f n GLY 643 N 1.45 4.95 3.77 4.97 0.00 -1.26 -4.65 105.19 114.42 3c4f n GLY 643 Ca 0.06 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 3c4f n GLY 643 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3c4f s LEU 644 N -3.01 4.35 0.11 0.99 2.96 -1.24 -4.15 118.68 118.69 3c4f s LEU 644 Ca 0.35 2.47 -0.25 0.00 -0.22 0.00 0.00 54.13 56.47 3c4f s LEU 644 Cb 0.32 -3.81 -0.07 0.00 0.50 0.00 0.00 46.19 43.13 3c4f s LEU 644 CO -0.00 -0.53 0.77 0.00 -1.32 0.00 0.00 176.35 175.27 3c4f s ALA 645 N -1.26 3.42 -0.25 5.97 0.00 -1.26 -5.03 121.76 123.34 3c4f s ALA 645 Ca 0.52 0.33 -0.19 0.00 0.00 0.00 0.00 51.96 52.61 3c4f s ALA 645 Cb -0.34 -2.97 0.07 0.00 0.00 0.00 0.00 23.12 19.87 3c4f s ALA 645 CO 0.45 0.20 0.65 -0.98 0.00 0.00 0.00 175.76 176.08 3c4f s ARG 646 N -0.68 0.72 -0.56 0.00 1.70 -1.26 -5.10 118.95 113.77 3c4f s ARG 646 Ca 0.37 1.03 -0.18 0.00 -0.47 0.00 0.00 55.73 56.49 3c4f s ARG 646 Cb -0.22 0.25 0.10 0.00 -0.57 0.00 0.00 34.95 34.51 3c4f s ARG 646 CO 0.25 -0.12 0.61 0.34 -1.08 0.00 0.00 175.30 175.30 3c4f s ASP 647 N 0.96 6.19 0.61 -2.89 -1.08 -1.26 -4.93 116.67 114.26 3c4f s ASP 647 Ca -0.05 -1.45 0.40 0.00 -0.52 0.00 0.00 52.55 50.93 3c4f s ASP 647 Cb -0.05 -2.26 2.06 0.00 -1.46 0.00 0.00 42.92 41.21 3c4f s ASP 647 CO -0.09 -0.97 2.22 0.16 0.52 0.00 0.00 175.17 177.01 3c4f h ILE 648 N 5.89 0.00 0.00 4.11 3.07 -1.99 -1.70 117.51 126.89 3c4f h ILE 648 Ca -0.29 -0.14 0.00 0.00 1.55 0.00 0.00 64.86 65.97 3c4f h ILE 648 Cb 1.09 1.11 0.00 0.00 -0.27 0.00 0.00 36.82 38.76 3c4f h ILE 648 CO 1.05 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.56 3c4f n HIS 649 N -3.03 0.00 -1.95 0.16 8.25 -1.26 -3.79 115.22 113.60 3c4f n HIS 649 Ca -0.02 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.39 3c4f n HIS 649 Cb 0.14 -0.36 0.11 0.00 1.12 0.00 0.00 29.99 30.99 3c4f n HIS 649 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3c4f n HIS 650 N -1.36 1.06 -2.73 4.41 8.25 -0.64 -5.06 115.22 119.15 3c4f n HIS 650 Ca 0.12 -1.69 -0.38 0.00 -0.26 0.00 0.00 57.72 55.50 3c4f n HIS 650 Cb 0.28 -0.27 -0.06 0.00 1.12 0.00 0.00 29.99 31.06 3c4f n HIS 650 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3c4f s ILE 651 N -3.40 4.08 -0.49 1.59 1.01 -1.25 -4.98 121.20 117.76 3c4f s ILE 651 Ca 0.41 1.83 -0.16 0.00 0.00 0.00 0.00 60.65 62.73 3c4f s ILE 651 Cb 0.38 -4.06 0.08 0.00 0.01 0.00 0.00 42.46 38.87 3c4f s ILE 651 CO -0.04 0.24 0.43 -0.62 0.00 0.00 0.00 174.94 174.95 3c4f s ASP 652 N -1.44 6.16 0.35 3.58 -1.08 -1.26 -4.94 116.67 118.04 3c4f s ASP 652 Ca 0.48 -1.39 0.25 0.00 -0.52 0.00 0.00 52.55 51.37 3c4f s ASP 652 Cb -0.22 -2.20 1.25 0.00 -1.46 0.00 0.00 42.92 40.30 3c4f s ASP 652 CO 0.27 -0.70 1.76 1.88 0.52 0.00 0.00 175.17 178.90 3c4f h TYR 653 N 8.80 0.00 0.00 -5.34 0.05 -2.02 -2.51 116.97 115.94 3c4f h TYR 653 Ca -0.29 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.49 3c4f h TYR 653 Cb 1.11 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.85 3c4f h TYR 653 CO 0.66 0.00 -0.81 0.66 -1.05 0.00 0.00 178.16 177.62 3c4f n TYR 654 N -2.37 0.01 -2.16 4.88 4.02 -1.26 -4.72 117.16 115.56 3c4f n TYR 654 Ca -0.01 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.48 3c4f n TYR 654 Cb 0.10 -0.11 -0.02 0.00 -0.02 0.00 0.00 39.34 39.29 3c4f n TYR 654 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 3c4f s LYS 655 N -3.01 4.34 0.28 -0.72 2.20 -0.95 -5.03 119.74 116.86 3c4f s LYS 655 Ca 0.09 2.15 0.08 0.00 -0.36 0.00 0.00 55.97 57.92 3c4f s LYS 655 Cb 0.17 -3.04 -0.04 0.00 -1.51 0.00 0.00 37.83 33.41 3c4f s LYS 655 CO 0.80 -0.17 0.18 0.15 -0.36 0.00 0.00 175.35 175.95 3c4f s LYS 656 N -1.82 2.72 0.59 4.03 1.02 -1.26 -4.45 119.74 120.57 3c4f s LYS 656 Ca 0.49 -1.22 -0.13 0.00 0.02 0.00 0.00 55.97 55.13 3c4f s LYS 656 Cb -0.38 -2.44 -0.05 0.00 -0.52 0.00 0.00 37.83 34.44 3c4f s LYS 656 CO 0.51 0.29 1.02 0.95 -0.92 0.00 0.00 175.35 177.19 3c4f s THR 657 N -2.24 4.56 0.52 2.17 -4.23 -0.25 -4.93 115.64 111.23 3c4f s THR 657 Ca 0.35 0.98 0.20 0.00 -1.18 0.00 0.00 61.69 62.04 3c4f s THR 657 Cb -0.07 -3.76 0.33 0.00 1.34 0.00 0.00 72.50 70.34 3c4f s THR 657 CO 0.24 -0.94 2.07 0.00 -0.54 0.00 0.00 174.62 175.45 3c4f h THR 658 N 0.11 0.87 0.00 3.99 1.03 -1.97 0.11 112.91 117.06 3c4f h THR 658 Ca -0.45 -0.01 0.00 0.00 -0.01 0.00 0.00 66.41 65.94 3c4f h THR 658 Cb 1.19 0.85 0.00 0.00 -1.07 0.00 0.00 68.15 69.12 3c4f h THR 658 CO 0.61 0.00 0.00 -3.20 -0.01 0.00 0.00 175.52 172.93 3c4f n ASN 659 N -4.46 0.00 0.00 0.00 5.15 -1.26 -4.89 115.26 109.80 3c4f n ASN 659 Ca 0.04 0.10 0.00 0.00 -0.60 0.00 0.00 54.58 54.11 3c4f n ASN 659 Cb 0.34 -0.27 0.00 0.00 -0.53 0.00 0.00 39.78 39.32 3c4f n ASN 659 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3c4f n GLY 660 N -0.29 0.52 4.01 8.20 0.00 0.39 -5.10 105.19 112.91 3c4f n GLY 660 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 3c4f n GLY 660 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3c4f s ARG 661 N -0.93 2.44 -0.31 1.61 0.52 -1.25 -4.83 118.95 116.20 3c4f s ARG 661 Ca 0.00 -1.24 -0.04 0.00 -0.52 0.00 0.00 55.73 53.93 3c4f s ARG 661 Cb 0.00 -2.60 0.04 0.00 0.52 0.00 0.00 34.95 32.90 3c4f s ARG 661 CO 0.00 -0.71 0.05 -0.51 0.02 0.00 0.00 175.30 174.15 3c4f s LEU 662 N -4.65 4.03 0.55 2.53 1.43 -1.26 -1.10 118.68 120.21 3c4f s LEU 662 Ca 0.59 -1.12 0.33 0.00 -1.03 0.00 0.00 54.13 52.90 3c4f s LEU 662 Cb -0.08 -1.80 1.48 0.00 0.03 0.00 0.00 46.19 45.82 3c4f s LEU 662 CO 0.38 -0.27 1.83 -0.65 0.23 0.00 0.00 176.35 177.86 3c4f h PRO 663 N 8.13 0.00 0.00 1.29 0.11 -1.90 -2.09 132.00 137.53 3c4f h PRO 663 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3c4f h PRO 663 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3c4f h PRO 663 CO 0.57 0.00 0.09 -0.39 -0.21 0.00 0.00 178.00 178.06 3c4f h VAL 664 N 0.00 0.00 0.00 3.15 -1.51 -1.91 -2.10 116.25 113.87 3c4f h VAL 664 Ca 0.44 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.91 3c4f h VAL 664 Cb 1.89 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.59 3c4f h VAL 664 CO -0.00 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 176.63 3c4f n LYS 665 N -2.41 0.27 0.00 5.19 5.02 -0.79 -2.63 118.16 122.82 3c4f n LYS 665 Ca -0.02 0.06 0.07 0.00 -2.02 0.00 0.00 58.31 56.40 3c4f n LYS 665 Cb 0.13 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.63 3c4f n LYS 665 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3c4f n TRP 666 N -1.33 0.00 -3.20 2.13 8.01 -0.79 -4.99 117.44 117.27 3c4f n TRP 666 Ca 0.10 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 55.91 3c4f n TRP 666 Cb 0.22 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.46 3c4f n TRP 666 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3c4f s MET 667 N -1.74 4.30 0.63 -0.99 -1.94 -1.08 -3.72 119.30 114.76 3c4f s MET 667 Ca 0.12 0.82 -0.17 0.00 -1.71 0.00 0.00 55.69 54.75 3c4f s MET 667 Cb 0.11 -3.27 -0.01 0.00 2.01 0.00 0.00 34.83 33.67 3c4f s MET 667 CO 0.36 0.55 1.15 0.00 -0.01 0.00 0.00 175.02 177.07 3c4f s ALA 668 N -0.86 2.47 0.21 3.03 0.00 -1.26 -4.77 121.76 120.58 3c4f s ALA 668 Ca 0.31 0.75 -0.09 0.00 0.00 0.00 0.00 51.96 52.93 3c4f s ALA 668 Cb -0.20 -3.38 0.26 0.00 0.00 0.00 0.00 23.12 19.80 3c4f s ALA 668 CO 0.20 -1.25 1.78 -1.35 0.00 0.00 0.00 175.76 175.14 3c4f h PRO 669 N 0.39 0.52 -0.30 0.00 0.11 -1.97 0.13 132.00 130.88 3c4f h PRO 669 Ca -0.48 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 3c4f h PRO 669 Cb 1.27 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3c4f h PRO 669 CO 0.54 0.35 0.18 1.05 -0.21 0.00 0.00 178.00 179.91 3c4f h GLU 670 N 0.54 0.40 -0.04 1.05 9.09 -1.91 0.20 114.58 123.91 3c4f h GLU 670 Ca 0.30 -0.03 -0.25 0.00 0.05 0.00 0.00 59.36 59.43 3c4f h GLU 670 Cb 0.29 -0.09 0.02 0.00 -1.65 0.00 0.00 28.75 27.32 3c4f h GLU 670 CO -0.24 0.29 -0.95 0.00 0.05 0.00 0.00 179.01 178.15 3c4f h ALA 671 N 1.79 0.17 -0.19 1.06 0.00 -1.23 -2.01 119.26 118.84 3c4f h ALA 671 Ca 0.11 -0.67 -0.14 0.00 0.00 0.00 0.00 54.91 54.22 3c4f h ALA 671 Cb -0.01 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3c4f h ALA 671 CO -0.02 0.66 -0.41 1.25 0.00 0.00 0.00 179.25 180.73 3c4f h LEU 672 N 0.40 0.70 0.08 0.00 5.85 -0.39 -2.40 115.31 119.55 3c4f h LEU 672 Ca -0.11 -0.56 -0.37 0.00 0.84 0.00 0.00 57.88 57.69 3c4f h LEU 672 Cb 1.61 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.40 3c4f h LEU 672 CO 0.19 1.12 -2.13 0.49 -0.34 0.00 0.00 178.44 177.78 3c4f n PHE 673 N -4.24 0.85 0.22 1.25 3.72 0.64 -4.56 117.46 115.35 3c4f n PHE 673 Ca -0.06 0.19 0.07 0.00 -0.05 0.00 0.00 57.45 57.59 3c4f n PHE 673 Cb 0.54 -1.11 0.11 0.00 -0.94 0.00 0.00 39.48 38.08 3c4f n PHE 673 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3c4f n ASP 674 N -3.47 2.52 -3.14 4.37 8.00 -1.03 -5.00 116.55 118.81 3c4f n ASP 674 Ca -0.37 -1.74 -0.22 0.00 0.71 0.00 0.00 54.79 53.17 3c4f n ASP 674 Cb 1.01 -0.12 0.02 0.00 -0.02 0.00 0.00 41.12 42.01 3c4f n ASP 674 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3c4f n ARG 675 N 0.72 -4.09 -3.58 -1.24 1.74 -0.90 -4.94 116.66 104.36 3c4f n ARG 675 Ca 0.10 0.71 -0.41 0.00 -0.77 0.00 0.00 57.85 57.48 3c4f n ARG 675 Cb 0.38 -5.49 -0.10 0.00 -1.02 0.00 0.00 32.46 26.23 3c4f n ARG 675 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3c4f s ILE 676 N -3.04 4.42 -0.19 0.55 1.01 -0.79 -4.94 121.20 118.22 3c4f s ILE 676 Ca 0.33 -1.21 -0.09 0.00 0.00 0.00 0.00 60.65 59.68 3c4f s ILE 676 Cb -0.16 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 3c4f s ILE 676 CO 0.41 -0.43 0.12 -0.31 0.00 0.00 0.00 174.94 174.72 3c4f s TYR 677 N 1.48 3.39 0.27 3.97 1.51 -1.26 -3.20 117.35 123.51 3c4f s TYR 677 Ca 0.03 0.29 -0.01 0.00 -1.01 0.00 0.00 57.07 56.36 3c4f s TYR 677 Cb -0.22 -2.13 -0.02 0.00 -0.11 0.00 0.00 41.96 39.48 3c4f s TYR 677 CO 0.04 0.28 0.30 0.95 -1.11 0.00 0.00 175.55 176.01 3c4f s THR 678 N 0.30 0.00 0.34 -0.71 -4.23 -1.26 -4.99 115.64 105.09 3c4f s THR 678 Ca 0.07 -1.81 0.03 0.00 -1.18 0.00 0.00 61.69 58.80 3c4f s THR 678 Cb -0.11 -2.48 0.27 0.00 1.34 0.00 0.00 72.50 71.52 3c4f s THR 678 CO -0.01 0.00 1.98 0.45 -0.54 0.00 0.00 174.62 176.50 3c4f h HIS 679 N 2.33 0.84 -0.30 3.99 3.86 -1.98 -2.21 115.15 121.68 3c4f h HIS 679 Ca -0.30 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 58.89 3c4f h HIS 679 Cb 1.24 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 29.42 3c4f h HIS 679 CO 0.95 0.50 0.02 1.96 0.86 0.00 0.00 177.93 182.21 3c4f h GLN 680 N 0.88 0.44 0.03 2.45 7.50 -1.94 -1.18 115.11 123.29 3c4f h GLN 680 Ca 0.28 -0.08 -0.23 0.00 0.50 0.00 0.00 58.65 59.12 3c4f h GLN 680 Cb 0.02 -0.07 -0.00 0.00 0.05 0.00 0.00 27.48 27.48 3c4f h GLN 680 CO -0.07 0.46 -0.99 0.66 -1.50 0.00 0.00 178.83 177.39 3c4f h SER 681 N 0.43 0.40 -0.62 1.46 4.64 -1.77 -2.51 113.55 115.59 3c4f h SER 681 Ca 0.10 -0.35 0.02 0.00 -0.47 0.00 0.00 61.79 61.10 3c4f h SER 681 Cb 0.26 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 3c4f h SER 681 CO 0.01 1.17 0.41 0.44 -0.87 0.00 0.00 176.83 177.99 3c4f h ASP 682 N 0.15 0.66 -0.31 4.97 3.32 -0.90 -2.32 116.42 121.99 3c4f h ASP 682 Ca -0.08 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 3c4f h ASP 682 Cb 1.65 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 41.02 3c4f h ASP 682 CO 0.16 0.46 -0.05 0.58 -1.72 0.00 0.00 179.24 178.67 3c4f h VAL 683 N 0.77 1.24 -0.45 -1.35 2.07 -0.91 -0.14 116.25 117.47 3c4f h VAL 683 Ca 0.24 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 3c4f h VAL 683 Cb 0.01 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3c4f h VAL 683 CO -0.06 0.35 0.15 -0.25 0.02 0.00 0.00 177.57 177.79 3c4f h TRP 684 N 0.65 0.72 -0.75 1.57 2.91 -1.15 -2.34 115.95 117.56 3c4f h TRP 684 Ca 0.12 -0.07 0.00 0.00 1.13 0.00 0.00 58.89 60.08 3c4f h TRP 684 Cb 0.48 -0.21 -0.04 0.00 -0.51 0.00 0.00 29.16 28.89 3c4f h TRP 684 CO 0.02 0.64 0.47 0.77 -1.03 0.00 0.00 178.44 179.31 3c4f h SER 685 N 0.59 0.88 -0.13 2.65 0.02 -1.00 -2.10 113.55 114.46 3c4f h SER 685 Ca 0.15 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3c4f h SER 685 Cb 0.25 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3c4f h SER 685 CO -0.01 0.66 0.01 0.15 -1.14 0.00 0.00 176.83 176.50 3c4f h PHE 686 N 1.03 0.33 -0.61 3.45 3.57 -0.52 -1.66 116.94 122.52 3c4f h PHE 686 Ca 0.27 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 3c4f h PHE 686 Cb -0.08 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 3c4f h PHE 686 CO 0.00 0.33 0.29 0.78 -2.23 0.00 0.00 178.31 177.49 3c4f h GLY 687 N 0.61 0.95 1.04 2.40 0.00 -0.91 0.13 103.07 107.28 3c4f h GLY 687 Ca 0.08 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.88 3c4f h GLY 687 CO 0.00 0.45 0.28 -2.08 0.00 0.00 0.00 176.54 175.19 3c4f h VAL 688 N 0.84 1.26 -0.40 4.60 2.07 -1.13 -2.18 116.25 121.30 3c4f h VAL 688 Ca 0.21 -0.84 -0.09 0.00 0.82 0.00 0.00 66.70 66.80 3c4f h VAL 688 Cb 0.12 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3c4f h VAL 688 CO -0.03 0.34 -0.11 0.25 0.02 0.00 0.00 177.57 178.04 3c4f h LEU 689 N 1.10 0.70 -0.94 2.57 6.46 -0.93 0.09 115.31 124.36 3c4f h LEU 689 Ca 0.25 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 3c4f h LEU 689 Cb 0.24 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 39.94 3c4f h LEU 689 CO -0.02 0.84 0.55 -0.07 -0.62 0.00 0.00 178.44 179.12 3c4f h LEU 690 N 0.65 1.14 -0.95 2.25 3.38 -0.46 -0.56 115.31 120.76 3c4f h LEU 690 Ca 0.11 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3c4f h LEU 690 Cb 0.56 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3c4f h LEU 690 CO 0.03 0.88 -0.25 -0.25 0.09 0.00 0.00 178.44 178.95 3c4f h TRP 691 N 1.30 0.53 -0.60 1.13 7.01 -0.65 -1.81 115.95 122.86 3c4f h TRP 691 Ca 0.33 -0.11 -0.07 0.00 2.11 0.00 0.00 58.89 61.15 3c4f h TRP 691 Cb -0.03 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 26.87 3c4f h TRP 691 CO 0.01 0.69 0.10 0.93 -2.79 0.00 0.00 178.44 177.37 3c4f h GLU 692 N 0.42 0.99 -0.29 2.65 5.08 -0.34 -2.12 114.58 120.97 3c4f h GLU 692 Ca 0.06 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.11 3c4f h GLU 692 Cb 0.66 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3c4f h GLU 692 CO 0.05 0.94 -0.00 0.82 -1.00 0.00 0.00 179.01 179.81 3c4f h ILE 693 N 0.90 1.26 0.00 3.13 2.04 -0.59 0.23 117.51 124.47 3c4f h ILE 693 Ca 0.18 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3c4f h ILE 693 Cb 0.42 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 3c4f h ILE 693 CO 0.01 0.30 0.00 0.49 0.00 0.00 0.00 178.15 178.95 3c4f n PHE 694 N -4.58 0.00 -0.35 1.37 3.72 -0.73 -1.75 117.46 115.13 3c4f n PHE 694 Ca -0.03 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.47 3c4f n PHE 694 Cb 0.25 -0.41 0.28 0.00 -0.94 0.00 0.00 39.48 38.66 3c4f n PHE 694 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3c4f n THR 695 N -1.41 1.11 -3.84 4.37 -2.24 -0.80 -4.76 114.28 106.71 3c4f n THR 695 Ca 0.10 -1.04 -0.30 0.00 -2.27 0.00 0.00 64.05 60.54 3c4f n THR 695 Cb 0.30 0.45 0.01 0.00 -2.10 0.00 0.00 70.33 68.99 3c4f n THR 695 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3c4f n LEU 696 N 1.22 -2.35 0.00 3.22 4.77 -0.72 -2.75 117.00 120.39 3c4f n LEU 696 Ca 0.21 -1.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 3c4f n LEU 696 Cb 0.60 -2.26 0.00 0.00 -2.33 0.00 0.00 43.42 39.43 3c4f n LEU 696 CO 0.15 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3c4f n GLY 697 N -1.85 0.80 3.73 -0.72 0.00 0.04 -3.37 105.19 103.82 3c4f n GLY 697 Ca -0.19 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 3c4f n GLY 697 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3c4f s GLY 698 N -2.54 2.17 -0.27 -0.02 0.00 -1.11 -4.92 107.32 100.63 3c4f s GLY 698 Ca 0.00 0.71 -0.12 0.00 0.00 0.00 0.00 44.72 45.30 3c4f s GLY 698 CO 0.00 1.10 0.26 -0.45 0.00 0.00 0.00 173.10 174.00 3c4f s SER 699 N -2.36 6.12 0.28 1.64 0.15 -1.26 -4.74 113.70 113.54 3c4f s SER 699 Ca 0.70 0.12 -0.29 0.00 0.70 0.00 0.00 55.95 57.18 3c4f s SER 699 Cb -0.25 -2.15 -0.10 0.00 -1.71 0.00 0.00 66.02 61.81 3c4f s SER 699 CO 0.46 -0.09 1.15 -2.84 1.20 0.00 0.00 173.24 173.12 3c4f s PRO 700 N 1.80 4.57 -1.17 5.44 0.02 -1.26 -3.88 135.00 140.52 3c4f s PRO 700 Ca 0.10 1.89 -0.20 0.00 0.02 0.00 0.00 61.00 62.81 3c4f s PRO 700 Cb -0.16 -3.17 -0.01 0.00 0.02 0.00 0.00 34.50 31.19 3c4f s PRO 700 CO 0.10 0.10 0.76 0.66 -0.33 0.00 0.00 177.00 178.29 3c4f n TYR 701 N 1.26 -1.86 -2.07 6.54 4.01 -1.26 -4.88 117.16 118.90 3c4f n TYR 701 Ca -0.00 0.46 -0.42 0.00 -0.16 0.00 0.00 57.90 57.78 3c4f n TYR 701 Cb 0.44 -3.44 -0.03 0.00 -0.31 0.00 0.00 39.34 36.00 3c4f n TYR 701 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3c4f s PRO 702 N -6.11 4.29 0.00 -0.72 0.04 -1.25 -2.42 135.00 128.83 3c4f s PRO 702 Ca 0.43 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.70 3c4f s PRO 702 Cb -0.16 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.23 3c4f s PRO 702 CO 0.87 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.91 3c4f n GLY 703 N 2.65 2.57 3.62 0.56 0.00 -1.26 -5.01 105.19 108.32 3c4f n GLY 703 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3c4f n GLY 703 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3c4f s VAL 704 N -3.03 4.66 0.75 1.61 1.01 -1.02 -5.05 120.40 119.34 3c4f s VAL 704 Ca 0.00 1.34 -0.11 0.00 0.00 0.00 0.00 61.98 63.21 3c4f s VAL 704 Cb 0.00 -4.27 0.05 0.00 0.00 0.00 0.00 36.38 32.16 3c4f s VAL 704 CO 0.00 -0.39 1.12 -2.16 0.00 0.00 0.00 175.10 173.67 3c4f s PRO 705 N 3.28 2.31 0.18 2.72 0.04 -1.26 -4.82 135.00 137.45 3c4f s PRO 705 Ca 0.37 0.17 -0.17 0.00 0.04 0.00 0.00 61.00 61.41 3c4f s PRO 705 Cb -0.13 -2.01 0.13 0.00 0.04 0.00 0.00 34.50 32.53 3c4f s PRO 705 CO 0.15 -1.34 1.64 0.28 0.04 0.00 0.00 177.00 177.77 3c4f h VAL 706 N -0.84 0.44 -0.68 -0.36 2.07 -1.97 -1.57 116.25 113.35 3c4f h VAL 706 Ca -0.45 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.12 3c4f h VAL 706 Cb 1.30 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 3c4f h VAL 706 CO 0.64 0.00 0.45 1.05 0.02 0.00 0.00 177.57 179.73 3c4f h GLU 707 N -0.07 0.69 0.04 1.57 4.11 -1.99 -2.02 114.58 116.91 3c4f h GLU 707 Ca 0.22 -0.04 -0.23 0.00 0.07 0.00 0.00 59.36 59.39 3c4f h GLU 707 Cb 0.41 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3c4f h GLU 707 CO -0.51 0.46 -1.00 0.93 0.07 0.00 0.00 179.01 178.95 3c4f h GLU 708 N 0.71 0.23 -0.42 1.06 4.39 -1.73 -2.90 114.58 115.92 3c4f h GLU 708 Ca 0.29 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3c4f h GLU 708 Cb 0.24 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 3c4f h GLU 708 CO -0.09 1.06 0.23 1.25 -1.16 0.00 0.00 179.01 180.30 3c4f h LEU 709 N 0.11 0.53 -0.52 1.33 5.85 -0.64 -0.89 115.31 121.07 3c4f h LEU 709 Ca -0.07 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.63 3c4f h LEU 709 Cb 1.68 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.51 3c4f h LEU 709 CO 0.16 0.47 0.19 -0.26 -0.34 0.00 0.00 178.44 178.66 3c4f h PHE 710 N 0.55 0.33 -0.42 1.25 0.04 -1.33 -0.45 116.94 116.91 3c4f h PHE 710 Ca 0.15 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.94 3c4f h PHE 710 Cb 0.06 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 3c4f h PHE 710 CO -0.02 0.10 0.24 -0.22 -0.60 0.00 0.00 178.31 177.82 3c4f h LYS 711 N 0.37 0.57 -0.54 1.51 3.64 -1.28 0.23 116.57 121.07 3c4f h LYS 711 Ca 0.25 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.61 3c4f h LYS 711 Cb 0.27 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 3c4f h LYS 711 CO -0.25 0.43 0.31 -0.07 -2.27 0.00 0.00 179.45 177.60 3c4f h LEU 712 N 0.55 0.49 -0.47 5.20 3.38 -0.28 -1.45 115.31 122.73 3c4f h LEU 712 Ca 0.15 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 3c4f h LEU 712 Cb 0.02 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3c4f h LEU 712 CO -0.03 0.34 0.11 -0.07 0.09 0.00 0.00 178.44 178.88 3c4f h LEU 713 N 0.62 0.71 -1.21 1.67 3.38 -0.57 -1.36 115.31 118.55 3c4f h LEU 713 Ca 0.22 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3c4f h LEU 713 Cb 0.05 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3c4f h LEU 713 CO -0.11 0.77 0.26 0.11 0.09 0.00 0.00 178.44 179.55 3c4f h LYS 714 N 0.63 0.81 0.00 1.13 1.79 -0.77 -1.63 116.57 118.53 3c4f h LYS 714 Ca 0.15 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 3c4f h LYS 714 Cb 0.34 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 3c4f h LYS 714 CO 0.00 0.64 0.00 0.39 -1.08 0.00 0.00 179.45 179.41 3c4f n GLU 715 N -4.35 0.80 -1.32 3.15 1.02 -0.56 -4.89 120.64 114.47 3c4f n GLU 715 Ca 0.05 0.01 -0.02 0.00 -0.02 0.00 0.00 57.16 57.17 3c4f n GLU 715 Cb 0.14 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.05 3c4f n GLU 715 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3c4f n GLY 716 N 0.87 0.47 3.77 0.62 0.00 -0.61 -5.01 105.19 105.30 3c4f n GLY 716 Ca 0.20 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.90 3c4f n GLY 716 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3c4f s HIS 717 N -2.09 2.89 -0.00 1.61 5.04 -0.54 -5.03 115.29 117.16 3c4f s HIS 717 Ca 0.00 1.49 0.01 0.00 -1.54 0.00 0.00 55.06 55.02 3c4f s HIS 717 Cb 0.00 -3.52 -0.00 0.00 0.04 0.00 0.00 32.58 29.10 3c4f s HIS 717 CO 0.00 -1.73 -0.05 1.03 -2.34 0.00 0.00 174.74 171.65 3c4f s ARG 718 N -2.39 0.40 0.54 2.88 1.81 -1.26 -4.77 118.95 116.16 3c4f s ARG 718 Ca 0.59 -0.17 -0.21 0.00 -1.72 0.00 0.00 55.73 54.22 3c4f s ARG 718 Cb -0.34 -0.38 -0.05 0.00 -0.45 0.00 0.00 34.95 33.73 3c4f s ARG 718 CO 0.42 0.10 1.25 -1.64 -0.68 0.00 0.00 175.30 174.75 3c4f s MET 719 N -0.10 3.23 0.72 3.54 -1.94 -1.26 -4.99 119.30 118.50 3c4f s MET 719 Ca 0.02 1.95 -0.13 0.00 -1.71 0.00 0.00 55.69 55.82 3c4f s MET 719 Cb -0.02 -2.16 0.03 0.00 2.01 0.00 0.00 34.83 34.69 3c4f s MET 719 CO -0.00 -1.03 1.10 -0.51 -0.01 0.00 0.00 175.02 174.57 3c4f s ASP 720 N -1.32 4.74 0.07 3.03 1.11 -1.26 -4.97 116.67 118.06 3c4f s ASP 720 Ca 0.72 1.93 -0.31 0.00 0.18 0.00 0.00 52.55 55.07 3c4f s ASP 720 Cb -0.33 -2.54 -0.08 0.00 1.07 0.00 0.00 42.92 41.04 3c4f s ASP 720 CO 0.38 -1.88 1.59 -0.75 1.18 0.00 0.00 175.17 175.69 3c4f s LYS 721 N -4.49 4.22 0.69 8.23 2.20 -1.26 -4.97 119.74 124.36 3c4f s LYS 721 Ca 0.64 2.26 -0.16 0.00 -0.36 0.00 0.00 55.97 58.36 3c4f s LYS 721 Cb -0.19 -3.55 0.02 0.00 -1.51 0.00 0.00 37.83 32.60 3c4f s LYS 721 CO 0.49 -0.69 1.20 -2.14 -0.36 0.00 0.00 175.35 173.85 3c4f s PRO 722 N 2.43 2.40 0.41 4.03 0.02 -1.26 -4.98 135.00 138.05 3c4f s PRO 722 Ca 0.71 1.73 -0.24 0.00 0.02 0.00 0.00 61.00 63.22 3c4f s PRO 722 Cb -0.38 -1.87 -0.09 0.00 0.02 0.00 0.00 34.50 32.18 3c4f s PRO 722 CO 0.31 -1.63 1.08 -1.54 -0.33 0.00 0.00 177.00 174.89 3c4f s SER 723 N -2.02 6.64 -0.96 2.53 1.04 -1.26 -3.36 113.70 116.32 3c4f s SER 723 Ca 0.74 2.10 -0.00 0.00 0.48 0.00 0.00 55.95 59.27 3c4f s SER 723 Cb -0.28 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.25 3c4f s SER 723 CO 0.42 -0.58 0.80 0.59 0.98 0.00 0.00 173.24 175.45 3c4f n ASN 724 N -0.15 -2.14 -3.77 7.02 3.02 -1.26 -4.90 115.26 113.08 3c4f n ASN 724 Ca 0.05 -0.49 -0.14 0.00 -0.03 0.00 0.00 54.58 53.97 3c4f n ASN 724 Cb 0.49 -4.17 -0.15 0.00 -0.61 0.00 0.00 39.78 35.34 3c4f n ASN 724 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3c4f s THR 726 N 1.02 2.73 0.29 0.00 -4.23 -1.26 -4.86 115.64 109.33 3c4f s THR 726 Ca -0.08 0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 3c4f s THR 726 Cb -0.11 -2.87 0.15 0.00 1.34 0.00 0.00 72.50 71.00 3c4f s THR 726 CO -0.04 -0.31 1.83 0.78 -0.54 0.00 0.00 174.62 176.34 3c4f h ASN 727 N -1.35 0.68 -0.43 3.99 2.35 -1.99 -1.96 115.58 116.87 3c4f h ASN 727 Ca -0.49 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.07 3c4f h ASN 727 Cb 1.29 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.46 3c4f h ASN 727 CO 0.58 0.71 0.01 -0.08 -1.65 0.00 0.00 177.43 177.00 3c4f h GLU 728 N 0.70 0.76 -0.07 0.81 4.81 -1.98 -0.67 114.58 118.93 3c4f h GLU 728 Ca 0.15 -0.23 -0.16 0.00 -0.13 0.00 0.00 59.36 58.98 3c4f h GLU 728 Cb 0.33 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3c4f h GLU 728 CO 0.01 0.82 -0.67 -0.07 -0.73 0.00 0.00 179.01 178.36 3c4f h LEU 729 N 0.60 0.34 -0.58 1.64 3.38 -1.89 -0.82 115.31 117.97 3c4f h LEU 729 Ca 0.12 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 3c4f h LEU 729 Cb 0.47 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3c4f h LEU 729 CO 0.02 0.91 0.02 0.22 0.09 0.00 0.00 178.44 179.70 3c4f h TYR 730 N 0.20 1.10 -0.38 1.13 3.20 -1.28 -1.71 116.97 119.23 3c4f h TYR 730 Ca -0.02 -0.18 -0.04 0.00 3.14 0.00 0.00 58.73 61.63 3c4f h TYR 730 Cb 1.21 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 39.17 3c4f h TYR 730 CO 0.03 0.98 0.07 1.98 -1.64 0.00 0.00 178.16 179.58 3c4f h MET 731 N 0.91 0.57 -0.12 1.82 4.05 -0.79 -0.26 114.93 121.11 3c4f h MET 731 Ca 0.17 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 3c4f h MET 731 Cb 0.52 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 3c4f h MET 731 CO 0.03 0.55 0.03 1.98 0.23 0.00 0.00 176.91 179.72 3c4f h MET 732 N 0.56 0.20 -0.02 0.39 1.85 -0.74 -0.07 114.93 117.10 3c4f h MET 732 Ca 0.13 -0.05 0.03 0.00 -0.61 0.00 0.00 59.70 59.20 3c4f h MET 732 Cb 0.25 -0.03 -0.04 0.00 0.43 0.00 0.00 31.60 32.21 3c4f h MET 732 CO 0.00 0.36 -0.23 0.52 -0.40 0.00 0.00 176.91 177.16 3c4f h MET 733 N -0.00 -0.34 -0.70 0.39 2.07 -0.69 -1.19 114.93 114.47 3c4f h MET 733 Ca 0.04 0.02 0.10 0.00 -2.07 0.00 0.00 59.70 57.79 3c4f h MET 733 Cb 0.25 0.08 -0.08 0.00 -1.87 0.00 0.00 31.60 29.98 3c4f h MET 733 CO 0.00 -0.22 0.33 0.00 1.07 0.00 0.00 176.91 178.08 3c4f h ARG 734 N -0.35 0.53 -0.79 1.72 2.47 -0.87 -0.84 114.38 116.25 3c4f h ARG 734 Ca 0.07 -0.03 0.05 0.00 -1.26 0.00 0.00 59.98 58.80 3c4f h ARG 734 Cb 0.44 -0.12 -0.05 0.00 -1.65 0.00 0.00 29.97 28.59 3c4f h ARG 734 CO -0.22 0.35 0.49 -0.44 0.56 0.00 0.00 179.97 180.71 3c4f h ASP 735 N 0.55 0.78 0.21 7.04 3.32 -0.36 -1.74 116.42 126.22 3c4f h ASP 735 Ca 0.35 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.37 3c4f h ASP 735 Cb 0.41 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3c4f h ASP 735 CO -0.30 0.52 -0.19 0.00 -1.72 0.00 0.00 179.24 177.55 3c4f n TRP 737 N -4.25 2.40 -1.80 0.00 8.01 -0.67 -3.53 117.44 117.60 3c4f n TRP 737 Ca -0.02 -1.57 -0.42 0.00 -1.31 0.00 0.00 57.50 54.18 3c4f n TRP 737 Cb 0.26 -0.80 -0.03 0.00 -2.01 0.00 0.00 31.31 28.73 3c4f n TRP 737 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.69 175.10 3c4f s HIS 738 N -2.57 2.92 0.43 -5.99 2.46 -0.62 -4.87 115.29 107.04 3c4f s HIS 738 Ca 0.44 0.52 0.14 0.00 0.47 0.00 0.00 55.06 56.64 3c4f s HIS 738 Cb 0.37 -4.06 1.03 0.00 -0.13 0.00 0.00 32.58 29.79 3c4f s HIS 738 CO 0.08 -3.90 1.96 0.00 -2.47 0.00 0.00 174.74 170.41 3c4f h ALA 739 N 6.34 2.04 -2.51 1.58 0.00 -1.91 -3.37 119.26 121.43 3c4f h ALA 739 Ca -0.44 -0.01 -0.70 0.00 0.00 0.00 0.00 54.91 53.76 3c4f h ALA 739 Cb 1.21 -0.08 -0.20 0.00 0.00 0.00 0.00 17.79 18.72 3c4f h ALA 739 CO 0.91 -0.20 -0.37 0.08 0.00 0.00 0.00 179.25 179.67 3c4f s VAL 740 N -5.41 5.21 0.40 0.00 1.01 -1.26 -4.97 120.40 115.38 3c4f s VAL 740 Ca -0.08 -0.44 0.19 0.00 0.00 0.00 0.00 61.98 61.65 3c4f s VAL 740 Cb 0.20 -3.91 0.40 0.00 0.00 0.00 0.00 36.38 33.06 3c4f s VAL 740 CO 0.76 -0.27 1.75 -0.65 0.00 0.00 0.00 175.10 176.69 3c4f h PRO 741 N 8.62 0.36 0.00 2.72 0.11 -1.97 -0.29 132.00 141.54 3c4f h PRO 741 Ca -0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3c4f h PRO 741 Cb 1.13 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3c4f h PRO 741 CO 0.73 0.24 0.00 0.66 -0.21 0.00 0.00 178.00 179.41 3c4f h SER 742 N 0.37 0.00 0.16 -2.05 4.64 -1.93 -2.85 113.55 111.89 3c4f h SER 742 Ca 0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 3c4f h SER 742 Cb 1.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 3c4f h SER 742 CO -0.32 0.00 -0.20 0.00 -0.87 0.00 0.00 176.83 175.44 3c4f n GLN 743 N -3.07 1.07 -2.23 4.77 1.13 -0.12 -4.91 117.38 114.03 3c4f n GLN 743 Ca -0.00 -0.65 -0.32 0.00 -1.94 0.00 0.00 57.00 54.09 3c4f n GLN 743 Cb 0.25 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 29.10 3c4f n GLN 743 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3c4f s ARG 744 N -2.38 3.77 0.73 -1.09 0.52 -1.08 -4.97 118.95 114.45 3c4f s ARG 744 Ca 0.27 0.95 -0.12 0.00 -0.52 0.00 0.00 55.73 56.31 3c4f s ARG 744 Cb 0.20 -2.11 0.03 0.00 0.52 0.00 0.00 34.95 33.59 3c4f s ARG 744 CO 0.48 -0.42 1.08 -1.25 0.02 0.00 0.00 175.30 175.21 3c4f s PRO 745 N -4.32 2.57 0.61 3.54 0.04 -1.26 -5.05 135.00 131.13 3c4f s PRO 745 Ca 0.59 1.16 -0.03 0.00 0.04 0.00 0.00 61.00 62.75 3c4f s PRO 745 Cb -0.11 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.53 3c4f s PRO 745 CO 0.37 -1.40 0.89 0.95 0.04 0.00 0.00 177.00 177.85 3c4f s THR 746 N -2.82 2.77 0.34 1.26 -4.23 -1.26 -4.93 115.64 106.78 3c4f s THR 746 Ca 0.61 -0.37 0.05 0.00 -1.18 0.00 0.00 61.69 60.80 3c4f s THR 746 Cb -0.17 -3.12 0.16 0.00 1.34 0.00 0.00 72.50 70.71 3c4f s THR 746 CO 0.52 -0.10 1.88 -0.26 -0.54 0.00 0.00 174.62 176.11 3c4f h PHE 747 N -0.23 0.50 0.07 3.99 0.04 -1.94 -1.69 116.94 117.68 3c4f h PHE 747 Ca -0.44 -0.05 0.02 0.00 2.80 0.00 0.00 57.97 60.30 3c4f h PHE 747 Cb 1.29 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 39.27 3c4f h PHE 747 CO 0.38 0.51 -0.23 -0.22 -0.60 0.00 0.00 178.31 178.15 3c4f h LYS 748 N 0.46 -0.38 -0.87 1.51 3.64 -1.92 0.61 116.57 119.62 3c4f h LYS 748 Ca 0.10 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 3c4f h LYS 748 Cb 0.34 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 3c4f h LYS 748 CO 0.01 -0.26 0.44 0.37 -2.27 0.00 0.00 179.45 177.75 3c4f h GLN 749 N -0.40 1.23 -0.58 1.90 5.75 -1.92 -2.41 115.11 118.68 3c4f h GLN 749 Ca 0.04 -0.17 -0.04 0.00 -0.15 0.00 0.00 58.65 58.34 3c4f h GLN 749 Cb 0.44 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.74 3c4f h GLN 749 CO -0.16 0.93 0.20 -0.07 -2.65 0.00 0.00 178.83 177.07 3c4f h LEU 750 N 1.22 0.79 -0.56 -2.39 3.38 -0.84 -1.03 115.31 115.88 3c4f h LEU 750 Ca 0.30 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 3c4f h LEU 750 Cb 0.08 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3c4f h LEU 750 CO -0.04 0.73 0.03 0.58 0.09 0.00 0.00 178.44 179.83 3c4f h VAL 751 N 0.84 1.26 -0.40 1.22 2.07 -0.41 -0.49 116.25 120.35 3c4f h VAL 751 Ca 0.19 -1.07 -0.07 0.00 0.82 0.00 0.00 66.70 66.57 3c4f h VAL 751 Cb 0.21 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3c4f h VAL 751 CO -0.01 0.39 -0.04 -0.33 0.02 0.00 0.00 177.57 177.59 3c4f h GLU 752 N 0.85 0.73 0.00 1.57 5.08 -1.11 0.03 114.58 121.73 3c4f h GLU 752 Ca 0.16 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3c4f h GLU 752 Cb 0.50 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3c4f h GLU 752 CO 0.02 0.84 -0.00 -0.44 -1.00 0.00 0.00 179.01 178.43 3c4f h ASP 753 N 0.55 -0.00 -0.84 1.42 3.32 -1.10 -2.56 116.42 117.20 3c4f h ASP 753 Ca 0.11 -0.27 0.01 0.00 0.02 0.00 0.00 57.03 56.90 3c4f h ASP 753 Cb 0.54 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.04 3c4f h ASP 753 CO 0.03 0.27 0.55 -0.07 -1.72 0.00 0.00 179.24 178.29 3c4f h LEU 754 N -0.27 0.97 -0.14 1.55 3.38 -1.08 -1.11 115.31 118.61 3c4f h LEU 754 Ca -0.00 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3c4f h LEU 754 Cb 0.27 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3c4f h LEU 754 CO 0.00 0.71 -0.02 -0.78 0.09 0.00 0.00 178.44 178.44 3c4f h ASP 755 N 1.14 -0.10 -0.38 -0.43 3.58 -0.82 0.60 116.42 120.01 3c4f h ASP 755 Ca 0.31 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.79 3c4f h ASP 755 Cb -0.12 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 3c4f h ASP 755 CO -0.06 -0.03 0.24 -0.09 -2.88 0.00 0.00 179.24 176.42 3c4f h ARG 756 N 0.01 0.51 -0.53 0.28 2.43 -1.18 -2.41 114.38 113.49 3c4f h ARG 756 Ca 0.06 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 3c4f h ARG 756 Cb 0.09 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3c4f h ARG 756 CO -0.13 0.36 -0.00 0.82 -1.51 0.00 0.00 179.97 179.50 3c4f h ILE 757 N 0.51 1.25 -0.36 1.20 2.04 -0.93 -2.69 117.51 118.53 3c4f h ILE 757 Ca 0.14 -1.07 0.02 0.00 1.00 0.00 0.00 64.86 64.95 3c4f h ILE 757 Cb -0.03 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3c4f h ILE 757 CO -0.03 0.38 0.19 0.58 0.00 0.00 0.00 178.15 179.27 3c4f h VAL 758 N 0.83 1.00 -0.37 1.67 2.07 -0.63 -1.64 116.25 119.16 3c4f h VAL 758 Ca 0.15 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 67.61 3c4f h VAL 758 Cb 0.50 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3c4f h VAL 758 CO 0.02 0.07 0.26 0.00 0.02 0.00 0.00 177.57 177.94 3c4f h ALA 759 N 1.18 2.10 -0.43 1.67 0.00 -1.11 -2.65 119.26 120.03 3c4f h ALA 759 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3c4f h ALA 759 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3c4f h ALA 759 CO -0.10 -0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.25 3c4f n LEU 760 N -4.47 3.24 -4.83 0.00 4.77 -0.94 -4.98 117.00 109.80 3c4f n LEU 760 Ca 0.05 -1.76 -0.38 0.00 -0.03 0.00 0.00 56.01 53.89 3c4f n LEU 760 Cb 0.31 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 3c4f n LEU 760 CO 0.35 0.77 0.05 -0.89 -1.33 0.00 0.00 177.39 176.33 3c4f s THR 761 N -1.11 5.15 0.14 -5.08 2.01 -0.66 -5.04 115.64 111.04 3c4f s THR 761 Ca 0.33 0.70 -0.31 0.00 0.31 0.00 0.00 61.69 62.73 3c4f s THR 761 Cb 0.18 -3.65 -0.08 0.00 0.01 0.00 0.00 72.50 68.96 3c4f s THR 761 CO 0.24 0.55 1.29 -0.55 -0.69 0.00 0.00 174.62 175.47 3c4f s SER 762 N -0.83 6.95 0.09 3.53 0.15 -1.26 -4.65 113.70 117.68 3c4f s SER 762 Ca 0.21 2.26 0.26 0.00 0.70 0.00 0.00 55.95 59.39 3c4f s SER 762 Cb -0.15 -2.60 0.74 0.00 -1.71 0.00 0.00 66.02 62.31 3c4f s SER 762 CO 0.11 -0.52 1.63 -3.20 1.20 0.00 0.00 173.24 172.45 3c4f n ASN 763 N 3.30 0.50 0.00 5.45 2.85 -1.26 -2.69 115.26 123.42 3c4f n ASN 763 Ca 0.08 0.27 0.00 0.00 -0.11 0.00 0.00 54.58 54.82 3c4f n ASN 763 Cb 0.44 -0.26 0.00 0.00 1.24 0.00 0.00 39.78 41.20 3c4f n ASN 763 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 3c4f n GLN 764 N -1.87 0.00 0.00 1.20 -0.06 -1.26 -4.83 117.38 110.56 3c4f n GLN 764 Ca 0.05 0.00 0.16 0.00 -2.00 0.00 0.00 57.00 55.21 3c4f n GLN 764 Cb 0.39 0.00 0.87 0.00 -4.06 0.00 0.00 30.24 27.44 3c4f n GLN 764 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95