#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gql s GLU 464 N 0.00 1.00 0.50 -0.72 2.12 -1.26 -5.13 118.70 115.21 3gql s GLU 464 Ca 0.00 0.01 -0.18 0.00 0.36 0.00 0.00 54.97 55.15 3gql s GLU 464 Cb 0.00 0.47 -0.08 0.00 0.26 0.00 0.00 34.13 34.78 3gql s GLU 464 CO 0.00 -0.36 1.00 -0.51 -0.54 0.00 0.00 175.26 174.85 3gql s LEU 465 N -1.68 3.73 -0.30 2.70 1.43 -1.26 -4.99 118.68 118.29 3gql s LEU 465 Ca -0.05 1.73 -0.28 0.00 -1.03 0.00 0.00 54.13 54.50 3gql s LEU 465 Cb -0.00 -4.53 -0.03 0.00 0.03 0.00 0.00 46.19 41.65 3gql s LEU 465 CO 0.01 -0.69 1.97 -2.84 0.23 0.00 0.00 176.35 175.03 3gql s PRO 466 N -3.67 3.20 0.05 1.29 0.02 -1.26 -4.90 135.00 129.74 3gql s PRO 466 Ca 0.62 1.61 -0.31 0.00 0.02 0.00 0.00 61.00 62.95 3gql s PRO 466 Cb -0.12 -4.28 -0.06 0.00 0.02 0.00 0.00 34.50 30.06 3gql s PRO 466 CO 0.25 -2.02 1.22 -2.00 -0.33 0.00 0.00 177.00 174.12 3gql s GLU 467 N 6.03 4.42 -0.47 5.54 2.12 -1.26 -4.98 118.70 130.10 3gql s GLU 467 Ca 0.87 1.79 -0.04 0.00 0.36 0.00 0.00 54.97 57.95 3gql s GLU 467 Cb -0.26 -3.36 0.12 0.00 0.26 0.00 0.00 34.13 30.90 3gql s GLU 467 CO 0.33 -0.29 0.28 0.34 -0.54 0.00 0.00 175.26 175.39 3gql s ASP 468 N 1.12 5.33 0.11 -1.70 -1.08 -1.26 -4.95 116.67 114.24 3gql s ASP 468 Ca 0.59 -2.20 0.05 0.00 -0.52 0.00 0.00 52.55 50.47 3gql s ASP 468 Cb -0.30 -1.87 0.27 0.00 -1.46 0.00 0.00 42.92 39.57 3gql s ASP 468 CO 0.29 -0.53 1.03 -0.81 0.52 0.00 0.00 175.17 175.66 3gql n PRO 469 N 4.40 0.03 0.09 4.34 -0.04 -1.26 -0.65 135.00 141.91 3gql n PRO 469 Ca -0.01 0.43 -0.08 0.00 -0.04 0.00 0.00 63.50 63.80 3gql n PRO 469 Cb 0.41 -1.79 -0.03 0.00 -0.04 0.00 0.00 33.50 32.05 3gql n PRO 469 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gql h ARG 470 N 0.00 0.11 0.00 0.54 3.08 -2.02 -3.38 114.38 112.70 3gql h ARG 470 Ca 0.00 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3gql h ARG 470 Cb 0.35 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 3gql h ARG 470 CO 0.00 0.94 -1.04 0.91 -1.07 0.00 0.00 179.97 179.71 3gql n TRP 471 N -3.57 0.00 -1.60 3.04 7.02 0.12 -5.04 117.44 117.41 3gql n TRP 471 Ca -0.02 0.00 -0.48 0.00 -1.02 0.00 0.00 57.50 55.98 3gql n TRP 471 Cb 0.84 -0.03 -0.04 0.00 -2.42 0.00 0.00 31.31 29.67 3gql n TRP 471 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3gql n GLU 472 N -1.77 1.37 -4.23 -0.99 4.07 0.18 -2.14 120.64 117.13 3gql n GLU 472 Ca -0.01 0.49 -0.23 0.00 -0.06 0.00 0.00 57.16 57.35 3gql n GLU 472 Cb 0.26 -2.01 -0.17 0.00 -0.06 0.00 0.00 31.44 29.47 3gql n GLU 472 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 3gql s LEU 473 N 0.52 1.35 -0.33 4.31 2.96 0.26 -4.83 118.68 122.92 3gql s LEU 473 Ca 0.71 -0.21 -0.41 0.00 -0.22 0.00 0.00 54.13 54.01 3gql s LEU 473 Cb -0.80 -0.63 -0.16 0.00 0.50 0.00 0.00 46.19 45.11 3gql s LEU 473 CO 0.52 -0.05 1.82 -2.65 -1.32 0.00 0.00 176.35 174.67 3gql n PRO 474 N 4.19 0.93 -0.33 0.98 -0.02 -1.26 -4.59 135.00 134.89 3gql n PRO 474 Ca -0.21 0.33 0.27 0.00 -2.02 0.00 0.00 63.50 61.87 3gql n PRO 474 Cb 0.51 -2.04 0.57 0.00 -0.02 0.00 0.00 33.50 32.53 3gql n PRO 474 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3gql h ARG 475 N 7.74 0.27 0.00 -0.52 2.43 -1.93 0.49 114.38 122.87 3gql h ARG 475 Ca -0.41 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3gql h ARG 475 Cb 1.33 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 3gql h ARG 475 CO 0.98 0.18 -0.02 0.38 -1.51 0.00 0.00 179.97 179.98 3gql h ASP 476 N 0.28 0.00 -0.26 -3.80 3.04 -2.01 -2.86 116.42 110.81 3gql h ASP 476 Ca 0.61 0.00 -0.13 0.00 -3.24 0.00 0.00 57.03 54.27 3gql h ASP 476 Cb 1.77 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 39.98 3gql h ASP 476 CO -0.25 0.02 0.16 0.54 -2.04 0.00 0.00 179.24 177.67 3gql n ARG 477 N -3.12 1.44 -3.73 4.15 3.00 0.17 -4.73 116.66 113.84 3gql n ARG 477 Ca 0.00 -0.85 -0.19 0.00 -0.01 0.00 0.00 57.85 56.81 3gql n ARG 477 Cb 0.31 -1.38 -0.17 0.00 0.00 0.00 0.00 32.46 31.22 3gql n ARG 477 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3gql s LEU 478 N -0.90 0.51 -0.33 0.55 2.96 -1.08 -1.50 118.68 118.88 3gql s LEU 478 Ca 0.16 0.04 -0.07 0.00 -0.22 0.00 0.00 54.13 54.04 3gql s LEU 478 Cb 0.13 -0.16 0.03 0.00 0.50 0.00 0.00 46.19 46.69 3gql s LEU 478 CO 0.03 -0.20 0.11 -0.69 -1.32 0.00 0.00 176.35 174.28 3gql s VAL 479 N 1.78 3.97 0.23 1.68 1.01 -0.65 -4.98 120.40 123.44 3gql s VAL 479 Ca 0.00 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 3gql s VAL 479 Cb -0.12 -3.18 -0.09 0.00 0.00 0.00 0.00 36.38 32.99 3gql s VAL 479 CO -0.03 -0.11 0.96 -0.76 0.00 0.00 0.00 175.10 175.17 3gql s LEU 480 N 1.46 4.62 0.00 3.92 1.43 -1.26 -1.15 118.68 127.70 3gql s LEU 480 Ca 0.00 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.08 3gql s LEU 480 Cb -0.19 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.42 3gql s LEU 480 CO 0.03 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.32 3gql n GLY 481 N 1.53 4.95 3.75 -3.19 0.00 0.57 -4.96 105.19 107.84 3gql n GLY 481 Ca -0.01 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 3gql n GLY 481 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gql s LYS 482 N 4.70 4.30 0.33 1.61 0.00 -1.23 -4.57 119.74 124.88 3gql s LYS 482 Ca 0.00 2.25 -0.28 0.00 0.00 0.00 0.00 55.97 57.94 3gql s LYS 482 Cb 0.00 -3.11 -0.10 0.00 0.00 0.00 0.00 37.83 34.62 3gql s LYS 482 CO 0.00 -0.35 1.22 -1.25 0.00 0.00 0.00 175.35 174.97 3gql s PRO 483 N -0.63 4.37 -0.03 1.78 0.04 -1.26 0.18 135.00 139.45 3gql s PRO 483 Ca 0.57 2.02 0.20 0.00 0.04 0.00 0.00 61.00 63.83 3gql s PRO 483 Cb -0.41 -3.02 -0.25 0.00 0.04 0.00 0.00 34.50 30.87 3gql s PRO 483 CO 0.45 -0.11 0.50 1.28 0.04 0.00 0.00 177.00 179.16 3gql n LEU 484 N 0.75 0.24 -3.65 -3.56 4.77 -0.23 -4.76 117.00 110.56 3gql n LEU 484 Ca 0.01 0.10 -0.03 0.00 -0.03 0.00 0.00 56.01 56.05 3gql n LEU 484 Cb 0.44 0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.58 3gql n LEU 484 CO 0.56 0.12 1.04 -0.83 -1.33 0.00 0.00 177.39 176.94 3gql s GLY 485 N -4.78 0.28 -0.03 -0.72 0.00 -1.04 -5.02 107.32 96.01 3gql s GLY 485 Ca -0.07 3.39 0.03 0.00 0.00 0.00 0.00 44.72 48.07 3gql s GLY 485 CO 0.86 2.06 -0.11 -0.54 0.00 0.00 0.00 173.10 175.37 3gql s GLU 486 N 0.25 1.19 0.00 2.90 2.02 -1.26 -1.05 118.70 122.75 3gql s GLU 486 Ca 0.04 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 54.66 3gql s GLU 486 Cb -0.05 -1.08 0.00 0.00 0.10 0.00 0.00 34.13 33.11 3gql s GLU 486 CO -0.13 0.13 0.00 0.41 0.02 0.00 0.00 175.26 175.69 3gql n GLY 487 N 3.33 5.54 0.19 -1.39 0.00 -1.09 -5.03 105.19 106.74 3gql n GLY 487 Ca -0.19 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 3gql n GLY 487 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gql n ALA 488 N -3.00 1.82 -2.08 4.61 0.00 -1.26 -4.66 120.51 115.93 3gql n ALA 488 Ca 0.00 -0.55 -0.38 0.00 0.00 0.00 0.00 53.44 52.51 3gql n ALA 488 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.68 3gql n ALA 488 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3gql n PHE 489 N -3.06 2.53 0.00 0.00 -1.74 -1.26 -4.88 117.46 109.05 3gql n PHE 489 Ca -0.24 -2.46 0.00 0.00 -0.56 0.00 0.00 57.45 54.19 3gql n PHE 489 Cb 0.73 -1.41 0.00 0.00 1.52 0.00 0.00 39.48 40.33 3gql n PHE 489 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3gql n GLY 490 N 0.51 1.06 3.57 4.97 0.00 -1.26 -5.06 105.19 108.98 3gql n GLY 490 Ca 0.53 -2.18 -0.01 0.00 0.00 0.00 0.00 46.02 44.36 3gql n GLY 490 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gql s GLN 491 N -1.07 0.50 -0.07 1.61 0.74 -0.17 -2.66 119.66 118.54 3gql s GLN 491 Ca 0.00 1.19 -0.01 0.00 0.05 0.00 0.00 55.36 56.59 3gql s GLN 491 Cb 0.00 0.66 -0.03 0.00 1.10 0.00 0.00 33.01 34.74 3gql s GLN 491 CO 0.00 -0.16 -0.01 0.08 -0.55 0.00 0.00 175.29 174.65 3gql s VAL 492 N 2.61 4.18 0.11 1.34 1.01 -0.22 -0.59 120.40 128.84 3gql s VAL 492 Ca -0.05 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.62 3gql s VAL 492 Cb -0.09 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 3gql s VAL 492 CO -0.18 0.57 -0.09 0.68 0.00 0.00 0.00 175.10 176.08 3gql s VAL 493 N -0.90 0.91 -0.11 2.92 -7.23 0.19 -1.07 120.40 115.11 3gql s VAL 493 Ca 0.14 -1.89 -0.21 0.00 -1.81 0.00 0.00 61.98 58.21 3gql s VAL 493 Cb -0.11 -1.64 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 3gql s VAL 493 CO 0.03 -0.75 0.61 -0.22 -0.31 0.00 0.00 175.10 174.47 3gql s LEU 494 N -2.91 4.27 0.19 1.32 2.96 0.13 -0.37 118.68 124.27 3gql s LEU 494 Ca 0.11 0.99 -0.01 0.00 -0.22 0.00 0.00 54.13 55.01 3gql s LEU 494 Cb 0.02 -2.91 -0.04 0.00 0.50 0.00 0.00 46.19 43.76 3gql s LEU 494 CO -0.02 -0.11 0.12 0.00 -1.32 0.00 0.00 176.35 175.03 3gql s ALA 495 N 0.95 1.14 -0.18 5.97 0.00 -0.02 -0.32 121.76 129.31 3gql s ALA 495 Ca 0.32 -1.68 0.01 0.00 0.00 0.00 0.00 51.96 50.61 3gql s ALA 495 Cb -0.16 1.32 0.03 0.00 0.00 0.00 0.00 23.12 24.30 3gql s ALA 495 CO 0.14 -0.57 -0.16 -1.21 0.00 0.00 0.00 175.76 173.96 3gql s GLU 496 N -4.14 2.55 -0.32 0.00 2.02 -0.30 0.12 118.70 118.63 3gql s GLU 496 Ca 0.37 -0.79 -0.19 0.00 0.02 0.00 0.00 54.97 54.38 3gql s GLU 496 Cb 0.07 -2.42 -0.01 0.00 0.10 0.00 0.00 34.13 31.87 3gql s GLU 496 CO 0.11 -0.28 0.57 0.00 0.02 0.00 0.00 175.26 175.67 3gql s ALA 497 N 1.35 3.51 -0.36 5.21 0.00 0.60 -1.64 121.76 130.44 3gql s ALA 497 Ca 0.03 -0.79 -0.29 0.00 0.00 0.00 0.00 51.96 50.91 3gql s ALA 497 Cb -0.14 -3.04 0.01 0.00 0.00 0.00 0.00 23.12 19.95 3gql s ALA 497 CO -0.11 -1.09 1.35 0.42 0.00 0.00 0.00 175.76 176.34 3gql s ILE 498 N 2.49 4.02 -0.21 0.00 1.01 -0.56 -1.77 121.20 126.18 3gql s ILE 498 Ca 0.22 1.10 -0.04 0.00 0.00 0.00 0.00 60.65 61.93 3gql s ILE 498 Cb -0.15 -4.19 0.02 0.00 0.01 0.00 0.00 42.46 38.15 3gql s ILE 498 CO 0.12 -0.63 0.09 0.61 0.00 0.00 0.00 174.94 175.13 3gql n GLY 499 N 4.70 -4.41 0.06 6.18 0.00 0.15 -4.91 105.19 106.96 3gql n GLY 499 Ca 0.16 0.80 -0.04 0.00 0.00 0.00 0.00 46.02 46.94 3gql n GLY 499 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gql n LEU 500 N 0.92 0.00 -4.62 0.99 4.77 -1.26 -4.84 117.00 112.97 3gql n LEU 500 Ca -0.15 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.42 3gql n LEU 500 Cb 0.23 0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 3gql n LEU 500 CO 0.35 0.31 0.42 -1.81 -1.33 0.00 0.00 177.39 175.32 3gql s ASP 501 N -4.80 6.57 0.00 -1.43 -0.00 -1.26 -4.89 116.67 110.86 3gql s ASP 501 Ca -0.08 0.64 0.03 0.00 -0.00 0.00 0.00 52.55 53.15 3gql s ASP 501 Cb 0.07 -2.34 0.17 0.00 -0.00 0.00 0.00 42.92 40.82 3gql s ASP 501 CO 0.70 -0.42 0.74 1.17 -0.00 0.00 0.00 175.17 177.35 3gql n LYS 502 N 5.81 0.08 0.00 8.23 3.00 -1.26 -0.15 118.16 133.87 3gql n LYS 502 Ca -0.00 0.07 0.06 0.00 -0.00 0.00 0.00 58.31 58.44 3gql n LYS 502 Cb 0.49 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.02 3gql n LYS 502 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3gql n ASP 503 N -1.08 1.46 -3.13 3.14 8.00 -1.26 -4.66 116.55 119.02 3gql n ASP 503 Ca 0.02 -1.23 -0.20 0.00 0.71 0.00 0.00 54.79 54.09 3gql n ASP 503 Cb 0.01 0.42 -0.04 0.00 -0.02 0.00 0.00 41.12 41.49 3gql n ASP 503 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3gql n LYS 504 N -0.10 0.80 0.00 -1.24 5.02 0.79 -4.98 118.16 118.46 3gql n LYS 504 Ca 0.05 -3.08 0.08 0.00 -2.02 0.00 0.00 58.31 53.35 3gql n LYS 504 Cb 0.27 -1.37 0.44 0.00 -0.02 0.00 0.00 35.03 34.35 3gql n LYS 504 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3gql n PRO 505 N 1.07 0.38 -0.53 1.97 -0.04 -1.22 -3.09 135.00 133.54 3gql n PRO 505 Ca 0.20 0.06 0.07 0.00 -0.04 0.00 0.00 63.50 63.79 3gql n PRO 505 Cb 0.58 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.81 3gql n PRO 505 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3gql n ASN 506 N -1.13 3.90 -4.32 3.54 3.02 -1.26 -4.09 115.26 114.92 3gql n ASN 506 Ca 0.10 -3.10 -0.31 0.00 -0.03 0.00 0.00 54.58 51.24 3gql n ASN 506 Cb 0.09 -0.57 -0.16 0.00 -0.61 0.00 0.00 39.78 38.53 3gql n ASN 506 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3gql s ARG 507 N -2.88 2.35 -0.06 3.52 3.00 -1.18 -4.93 118.95 118.78 3gql s ARG 507 Ca 0.44 -0.88 -0.16 0.00 0.00 0.00 0.00 55.73 55.13 3gql s ARG 507 Cb 0.36 -2.15 -0.05 0.00 0.00 0.00 0.00 34.95 33.11 3gql s ARG 507 CO 0.09 0.50 0.43 0.08 0.00 0.00 0.00 175.30 176.39 3gql s VAL 508 N -0.45 5.10 -0.03 3.52 1.01 -1.26 0.35 120.40 128.64 3gql s VAL 508 Ca 0.05 0.86 0.07 0.00 0.00 0.00 0.00 61.98 62.96 3gql s VAL 508 Cb -0.11 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 3gql s VAL 508 CO 0.01 0.47 -0.23 -0.89 0.00 0.00 0.00 175.10 174.46 3gql s THR 509 N -0.31 1.85 -0.23 3.92 2.01 -0.73 -4.94 115.64 117.21 3gql s THR 509 Ca 0.24 -0.99 -0.25 0.00 0.31 0.00 0.00 61.69 61.00 3gql s THR 509 Cb -0.16 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.80 3gql s THR 509 CO 0.11 0.52 0.85 -0.75 -0.69 0.00 0.00 174.62 174.66 3gql s LYS 510 N -0.43 4.21 0.20 4.92 2.47 -1.26 -0.29 119.74 129.56 3gql s LYS 510 Ca 0.06 0.99 0.02 0.00 -1.56 0.00 0.00 55.97 55.48 3gql s LYS 510 Cb -0.10 -3.63 -0.05 0.00 -1.46 0.00 0.00 37.83 32.59 3gql s LYS 510 CO 0.00 -0.49 0.01 0.14 0.16 0.00 0.00 175.35 175.17 3gql s VAL 511 N 2.74 0.79 -0.22 4.02 -7.23 0.12 -4.12 120.40 116.50 3gql s VAL 511 Ca 0.36 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.48 3gql s VAL 511 Cb -0.15 -2.25 -0.02 0.00 0.56 0.00 0.00 36.38 34.51 3gql s VAL 511 CO 0.08 -0.37 0.01 0.00 -0.31 0.00 0.00 175.10 174.51 3gql s ALA 512 N -3.59 3.02 -0.19 1.32 0.00 -0.02 -0.84 121.76 121.47 3gql s ALA 512 Ca 0.27 -1.06 -0.05 0.00 0.00 0.00 0.00 51.96 51.13 3gql s ALA 512 Cb 0.06 -1.83 -0.03 0.00 0.00 0.00 0.00 23.12 21.33 3gql s ALA 512 CO 0.07 -0.28 -0.01 0.08 0.00 0.00 0.00 175.76 175.62 3gql s VAL 513 N 1.23 3.96 -0.20 0.00 1.01 0.50 -0.33 120.40 126.58 3gql s VAL 513 Ca 0.04 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.61 3gql s VAL 513 Cb -0.15 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 3gql s VAL 513 CO 0.01 0.44 0.11 -0.75 0.00 0.00 0.00 175.10 174.92 3gql s LYS 514 N 0.85 4.13 0.22 2.72 2.20 0.10 -0.64 119.74 129.31 3gql s LYS 514 Ca 0.00 -0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 55.35 3gql s LYS 514 Cb -0.14 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 3gql s LYS 514 CO 0.02 0.28 0.17 0.00 -0.36 0.00 0.00 175.35 175.46 3gql s MET 515 N 0.39 1.28 0.51 4.03 0.23 0.24 -1.56 119.30 124.42 3gql s MET 515 Ca 0.07 -1.64 -0.03 0.00 -1.03 0.00 0.00 55.69 53.06 3gql s MET 515 Cb -0.11 0.29 -0.00 0.00 -1.53 0.00 0.00 34.83 33.47 3gql s MET 515 CO -0.01 -0.43 0.78 -0.51 -2.03 0.00 0.00 175.02 172.82 3gql s LEU 516 N -3.17 3.46 0.48 0.18 1.43 -1.26 -1.00 118.68 118.80 3gql s LEU 516 Ca 0.38 0.53 -0.17 0.00 -1.03 0.00 0.00 54.13 53.83 3gql s LEU 516 Cb 0.06 -3.39 -0.09 0.00 0.03 0.00 0.00 46.19 42.81 3gql s LEU 516 CO 0.13 -0.85 0.96 -0.54 0.23 0.00 0.00 176.35 176.28 3gql s LYS 517 N -4.76 4.02 0.65 1.70 -0.14 -1.26 -4.84 119.74 115.10 3gql s LYS 517 Ca 0.51 0.97 0.38 0.00 -1.36 0.00 0.00 55.97 56.46 3gql s LYS 517 Cb -0.10 -2.17 2.07 0.00 -1.68 0.00 0.00 37.83 35.95 3gql s LYS 517 CO 0.42 -0.18 2.21 0.66 -0.76 0.00 0.00 175.35 177.70 3gql h SER 518 N 1.24 0.00 -0.89 2.83 4.64 -2.02 0.23 113.55 119.59 3gql h SER 518 Ca -0.47 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.43 3gql h SER 518 Cb 1.18 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.03 3gql h SER 518 CO 0.62 0.00 0.51 -0.90 -0.87 0.00 0.00 176.83 176.18 3gql n ASP 519 N -3.20 3.99 -4.73 4.97 3.85 -1.26 -4.99 116.55 115.19 3gql n ASP 519 Ca -0.02 -3.51 -0.41 0.00 -0.71 0.00 0.00 54.79 50.13 3gql n ASP 519 Cb 0.19 -0.80 -0.03 0.00 -1.35 0.00 0.00 41.12 39.12 3gql n ASP 519 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3gql s ALA 520 N -3.21 3.40 0.97 2.12 0.00 0.80 -5.03 121.76 120.80 3gql s ALA 520 Ca 0.56 0.88 -0.15 0.00 0.00 0.00 0.00 51.96 53.24 3gql s ALA 520 Cb 0.47 -3.41 0.19 0.00 0.00 0.00 0.00 23.12 20.36 3gql s ALA 520 CO 0.11 -0.35 1.25 -0.08 0.00 0.00 0.00 175.76 176.69 3gql s THR 521 N 0.31 1.94 -0.19 0.00 -1.32 -1.26 -4.95 115.64 110.17 3gql s THR 521 Ca 0.54 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 61.31 3gql s THR 521 Cb -0.31 -2.90 0.36 0.00 -1.51 0.00 0.00 72.50 68.15 3gql s THR 521 CO 0.33 0.00 1.82 -0.33 -2.21 0.00 0.00 174.62 174.23 3gql h GLU 522 N -1.67 0.00 0.03 7.08 5.08 -2.01 -3.08 114.58 120.01 3gql h GLU 522 Ca -0.45 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.81 3gql h GLU 522 Cb 1.27 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.53 3gql h GLU 522 CO 0.45 0.00 -0.40 -0.22 -1.00 0.00 0.00 179.01 177.84 3gql h LYS 523 N 0.00 0.22 -0.80 2.33 1.63 -1.99 -3.01 116.57 114.95 3gql h LYS 523 Ca 0.00 -0.27 0.17 0.00 -0.85 0.00 0.00 60.65 59.70 3gql h LYS 523 Cb 0.69 0.09 -0.11 0.00 -0.60 0.00 0.00 32.23 32.30 3gql h LYS 523 CO 0.00 1.03 0.30 -0.44 -3.45 0.00 0.00 179.45 176.89 3gql h ASP 524 N -0.47 0.22 -0.56 4.20 3.32 -1.91 0.39 116.42 121.62 3gql h ASP 524 Ca -0.06 0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 3gql h ASP 524 Cb 1.19 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.85 3gql h ASP 524 CO 0.08 0.04 0.29 0.25 -1.72 0.00 0.00 179.24 178.17 3gql h LEU 525 N 0.39 0.71 -1.05 1.55 5.85 -1.62 0.30 115.31 121.43 3gql h LEU 525 Ca 0.46 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3gql h LEU 525 Cb 0.78 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 3gql h LEU 525 CO -0.47 0.62 0.60 -1.28 -0.34 0.00 0.00 178.44 177.57 3gql h SER 526 N 0.75 1.09 -0.22 1.25 0.87 -0.27 0.16 113.55 117.17 3gql h SER 526 Ca 0.19 -0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.60 3gql h SER 526 Cb 0.08 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.77 3gql h SER 526 CO -0.03 0.80 -0.30 0.44 -0.53 0.00 0.00 176.83 177.21 3gql h ASP 527 N 1.27 0.65 -0.72 6.23 3.45 0.18 -0.95 116.42 126.53 3gql h ASP 527 Ca 0.34 -0.51 -0.02 0.00 0.43 0.00 0.00 57.03 57.27 3gql h ASP 527 Cb -0.12 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 38.43 3gql h ASP 527 CO -0.07 1.03 0.39 0.25 -1.57 0.00 0.00 179.24 179.27 3gql h LEU 528 N 0.29 0.91 -0.56 1.55 5.85 0.06 0.89 115.31 124.30 3gql h LEU 528 Ca 0.02 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 3gql h LEU 528 Cb 0.88 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3gql h LEU 528 CO 0.07 0.75 0.09 0.40 -0.34 0.00 0.00 178.44 179.41 3gql h ILE 529 N 0.99 1.26 -0.41 4.05 2.04 -0.67 -1.64 117.51 123.13 3gql h ILE 529 Ca 0.25 -0.97 0.01 0.00 1.00 0.00 0.00 64.86 65.15 3gql h ILE 529 Cb 0.05 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3gql h ILE 529 CO -0.04 0.35 0.25 -1.28 0.00 0.00 0.00 178.15 177.44 3gql h SER 530 N 0.82 0.43 -0.40 1.72 0.87 -0.53 -1.57 113.55 114.88 3gql h SER 530 Ca 0.17 -0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.75 3gql h SER 530 Cb 0.42 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 3gql h SER 530 CO 0.01 0.31 0.22 -0.08 -0.53 0.00 0.00 176.83 176.76 3gql h GLU 531 N 0.52 0.43 -0.84 2.24 4.81 -0.59 -0.99 114.58 120.15 3gql h GLU 531 Ca 0.16 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.44 3gql h GLU 531 Cb -0.02 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.20 3gql h GLU 531 CO -0.06 0.28 0.51 1.98 -0.73 0.00 0.00 179.01 181.00 3gql h MET 532 N 0.44 0.88 -0.37 1.92 4.05 -0.87 -2.28 114.93 118.69 3gql h MET 532 Ca 0.16 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.46 3gql h MET 532 Cb 0.04 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.63 3gql h MET 532 CO -0.09 0.58 -0.04 0.93 0.23 0.00 0.00 176.91 178.51 3gql h GLU 533 N 0.90 0.69 -0.42 0.39 4.39 -0.67 -2.76 114.58 117.10 3gql h GLU 533 Ca 0.38 -0.24 0.08 0.00 0.34 0.00 0.00 59.36 59.92 3gql h GLU 533 Cb 0.24 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.77 3gql h GLU 533 CO -0.20 0.82 -0.01 0.52 -1.16 0.00 0.00 179.01 178.98 3gql h MET 534 N 0.50 0.10 0.00 2.33 2.86 -0.81 0.39 114.93 120.30 3gql h MET 534 Ca 0.10 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 3gql h MET 534 Cb 0.54 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 3gql h MET 534 CO 0.03 0.07 -0.25 0.52 1.06 0.00 0.00 176.91 178.33 3gql h MET 535 N 0.10 0.00 -0.03 1.72 2.86 -1.37 0.28 114.93 118.49 3gql h MET 535 Ca 0.21 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 3gql h MET 535 Cb 0.30 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 3gql h MET 535 CO -0.35 0.25 -0.02 0.87 1.06 0.00 0.00 176.91 178.72 3gql h LYS 536 N 0.00 0.07 0.40 1.72 1.57 -0.91 -2.47 116.57 116.94 3gql h LYS 536 Ca -0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3gql h LYS 536 Cb 0.44 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3gql h LYS 536 CO 0.03 0.46 -0.27 0.52 -0.57 0.00 0.00 179.45 179.63 3gql h MET 537 N -0.32 -0.62 -0.74 3.15 2.07 -0.36 -3.03 114.93 115.07 3gql h MET 537 Ca 0.01 0.04 0.14 0.00 -2.07 0.00 0.00 59.70 57.82 3gql h MET 537 Cb 0.44 0.14 -0.05 0.00 -1.87 0.00 0.00 31.60 30.26 3gql h MET 537 CO 0.00 -0.42 0.50 0.82 1.07 0.00 0.00 176.91 178.88 3gql h ILE 538 N -0.65 0.81 0.00 -1.22 2.04 -0.51 -3.48 117.51 114.50 3gql h ILE 538 Ca -0.04 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3gql h ILE 538 Cb 0.54 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3gql h ILE 538 CO 0.03 0.08 0.00 0.61 0.00 0.00 0.00 178.15 178.87 3gql n GLY 539 N -1.52 -1.35 3.78 5.37 0.00 -0.93 -4.96 105.19 105.58 3gql n GLY 539 Ca 0.14 -1.59 -0.38 0.00 0.00 0.00 0.00 46.02 44.19 3gql n GLY 539 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gql s LYS 540 N -2.01 4.58 -0.24 1.61 1.02 -1.26 -4.97 119.74 118.47 3gql s LYS 540 Ca 0.00 1.25 -0.14 0.00 0.02 0.00 0.00 55.97 57.10 3gql s LYS 540 Cb 0.00 -3.01 0.07 0.00 -0.52 0.00 0.00 37.83 34.37 3gql s LYS 540 CO 0.00 0.41 0.58 -1.58 -0.92 0.00 0.00 175.35 173.84 3gql s HIS 541 N -1.42 -0.88 0.59 3.18 2.46 -1.26 -5.05 115.29 112.92 3gql s HIS 541 Ca 0.44 1.80 0.28 0.00 0.47 0.00 0.00 55.06 58.05 3gql s HIS 541 Cb -0.21 0.48 1.54 0.00 -0.13 0.00 0.00 32.58 34.27 3gql s HIS 541 CO 0.25 -0.45 1.98 -0.22 -2.47 0.00 0.00 174.74 173.84 3gql h LYS 542 N 6.94 0.00 -0.79 2.88 3.64 -1.98 -1.81 116.57 125.46 3gql h LYS 542 Ca -0.32 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 58.87 3gql h LYS 542 Cb 1.21 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.92 3gql h LYS 542 CO 0.21 0.00 0.24 0.09 -2.27 0.00 0.00 179.45 177.72 3gql n ASN 543 N -3.79 4.53 -3.89 4.20 5.03 -1.26 -4.66 115.26 115.42 3gql n ASN 543 Ca 0.06 -3.06 -0.09 0.00 0.87 0.00 0.00 54.58 52.36 3gql n ASN 543 Cb 0.52 -0.72 -0.08 0.00 -1.02 0.00 0.00 39.78 38.49 3gql n ASN 543 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 3gql s ILE 544 N -2.68 0.15 -0.22 2.41 -4.36 -0.68 -1.25 121.20 114.57 3gql s ILE 544 Ca 0.49 -1.22 -0.29 0.00 -0.26 0.00 0.00 60.65 59.36 3gql s ILE 544 Cb 0.39 -1.28 -0.01 0.00 1.25 0.00 0.00 42.46 42.80 3gql s ILE 544 CO 0.12 -0.68 1.37 -0.63 0.24 0.00 0.00 174.94 175.36 3gql s ILE 545 N -3.63 4.07 0.09 8.37 -1.09 -0.47 -4.71 121.20 123.82 3gql s ILE 545 Ca 0.03 1.25 -0.01 0.00 -2.23 0.00 0.00 60.65 59.69 3gql s ILE 545 Cb 0.04 -3.97 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 3gql s ILE 545 CO -0.10 -0.29 0.26 0.20 -1.23 0.00 0.00 174.94 173.79 3gql s ASN 546 N 2.78 6.40 -0.10 3.58 0.01 -1.26 -4.88 114.94 121.47 3gql s ASN 546 Ca 0.60 0.36 -0.30 0.00 -0.71 0.00 0.00 52.86 52.81 3gql s ASN 546 Cb -0.21 -2.00 -0.02 0.00 0.41 0.00 0.00 41.25 39.43 3gql s ASN 546 CO 0.21 0.13 1.20 -0.22 -1.51 0.00 0.00 177.10 176.91 3gql s LEU 547 N -2.57 4.24 -0.16 0.60 2.96 -1.26 -1.24 118.68 121.25 3gql s LEU 547 Ca 0.37 1.74 0.17 0.00 -0.22 0.00 0.00 54.13 56.18 3gql s LEU 547 Cb -0.13 -3.55 -0.24 0.00 0.50 0.00 0.00 46.19 42.78 3gql s LEU 547 CO 0.27 -0.63 0.12 0.18 -1.32 0.00 0.00 176.35 174.97 3gql n LEU 548 N 5.64 0.00 0.00 -0.68 4.77 0.37 -4.95 117.00 122.15 3gql n LEU 548 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3gql n LEU 548 Cb 0.46 0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 3gql n LEU 548 CO 0.55 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 3gql n GLY 549 N 1.81 0.45 3.55 -0.72 0.00 -1.05 -5.00 105.19 104.24 3gql n GLY 549 Ca -0.26 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 3gql n GLY 549 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gql s ALA 550 N -1.00 -1.92 -0.36 4.61 0.00 -0.91 -1.58 121.76 120.60 3gql s ALA 550 Ca 0.00 1.33 0.04 0.00 0.00 0.00 0.00 51.96 53.33 3gql s ALA 550 Cb 0.00 -0.06 0.10 0.00 0.00 0.00 0.00 23.12 23.17 3gql s ALA 550 CO 0.00 -0.56 0.08 0.00 0.00 0.00 0.00 175.76 175.28 3gql n THR 552 N 4.16 0.31 -4.90 0.00 -2.24 -1.26 -2.04 114.28 108.30 3gql n THR 552 Ca 0.04 -0.65 -0.31 0.00 -2.27 0.00 0.00 64.05 60.86 3gql n THR 552 Cb 0.41 0.98 -0.14 0.00 -2.10 0.00 0.00 70.33 69.48 3gql n THR 552 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3gql s GLN 553 N -0.85 2.00 -1.10 -0.78 -1.52 -1.26 -4.41 119.66 111.74 3gql s GLN 553 Ca 0.14 -1.00 -0.18 0.00 -1.95 0.00 0.00 55.36 52.36 3gql s GLN 553 Cb 0.09 -2.09 -0.01 0.00 -0.22 0.00 0.00 33.01 30.77 3gql s GLN 553 CO 0.12 0.54 0.80 -0.25 -0.25 0.00 0.00 175.29 176.25 3gql n ASP 554 N 1.87 -5.56 0.00 5.90 8.00 -1.26 -4.88 116.55 120.62 3gql n ASP 554 Ca -0.17 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.38 3gql n ASP 554 Cb 0.52 -3.57 0.00 0.00 -0.02 0.00 0.00 41.12 38.05 3gql n ASP 554 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gql n GLY 555 N -1.64 0.68 3.70 0.44 0.00 -1.26 -5.07 105.19 102.04 3gql n GLY 555 Ca -0.09 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 43.74 3gql n GLY 555 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gql s PRO 556 N -1.55 1.53 -0.10 1.61 0.04 -1.26 -4.90 135.00 130.36 3gql s PRO 556 Ca 0.00 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 62.38 3gql s PRO 556 Cb 0.00 -1.78 -0.01 0.00 0.04 0.00 0.00 34.50 32.75 3gql s PRO 556 CO 0.00 -2.27 1.02 -1.17 0.04 0.00 0.00 177.00 174.62 3gql s LEU 557 N -5.97 4.25 -0.27 -3.56 2.96 -1.26 -4.72 118.68 110.11 3gql s LEU 557 Ca 0.70 1.55 0.03 0.00 -0.22 0.00 0.00 54.13 56.18 3gql s LEU 557 Cb -0.26 -3.56 0.06 0.00 0.50 0.00 0.00 46.19 42.94 3gql s LEU 557 CO 0.53 -0.46 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.71 3gql s TYR 558 N 2.02 3.20 -0.45 5.38 2.02 -0.86 -4.41 117.35 124.24 3gql s TYR 558 Ca 0.49 -2.32 -0.18 0.00 -0.37 0.00 0.00 57.07 54.68 3gql s TYR 558 Cb -0.19 -1.99 0.04 0.00 -0.40 0.00 0.00 41.96 39.42 3gql s TYR 558 CO 0.18 -0.87 0.50 0.08 -1.57 0.00 0.00 175.55 173.87 3gql s VAL 559 N 1.12 5.02 -0.18 0.71 1.01 -0.60 -0.58 120.40 126.91 3gql s VAL 559 Ca -0.06 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.31 3gql s VAL 559 Cb -0.20 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 3gql s VAL 559 CO -0.06 -0.56 0.56 -0.63 0.00 0.00 0.00 175.10 174.42 3gql s ILE 560 N 2.29 5.08 0.27 2.22 1.01 -0.62 -0.72 121.20 130.73 3gql s ILE 560 Ca 0.13 1.07 0.04 0.00 0.00 0.00 0.00 60.65 61.88 3gql s ILE 560 Cb -0.18 -3.89 -0.06 0.00 0.01 0.00 0.00 42.46 38.35 3gql s ILE 560 CO 0.13 0.18 0.03 0.68 0.00 0.00 0.00 174.94 175.96 3gql s VAL 561 N 1.52 1.07 0.34 2.92 -7.23 0.55 -0.48 120.40 119.10 3gql s VAL 561 Ca 0.27 -2.03 -0.28 0.00 -1.81 0.00 0.00 61.98 58.13 3gql s VAL 561 Cb -0.16 -2.54 -0.12 0.00 0.56 0.00 0.00 36.38 34.12 3gql s VAL 561 CO 0.11 -0.17 1.36 -0.62 -0.31 0.00 0.00 175.10 175.46 3gql n GLU 562 N -0.53 2.29 -3.56 4.82 1.02 -0.37 -0.84 120.64 123.47 3gql n GLU 562 Ca -0.03 0.80 -0.36 0.00 -0.02 0.00 0.00 57.16 57.55 3gql n GLU 562 Cb 0.65 -2.43 -0.07 0.00 -0.02 0.00 0.00 31.44 29.57 3gql n GLU 562 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3gql s TYR 563 N -1.00 3.47 -0.57 -0.32 5.04 -1.26 -4.43 117.35 118.28 3gql s TYR 563 Ca 0.56 0.58 -0.09 0.00 -2.44 0.00 0.00 57.07 55.68 3gql s TYR 563 Cb -0.55 -2.31 0.15 0.00 0.35 0.00 0.00 41.96 39.60 3gql s TYR 563 CO 0.61 0.27 0.45 0.00 -1.34 0.00 0.00 175.55 175.54 3gql s ALA 564 N 0.37 3.57 0.52 3.97 0.00 -1.26 -4.80 121.76 124.12 3gql s ALA 564 Ca 0.16 -2.83 0.25 0.00 0.00 0.00 0.00 51.96 49.55 3gql s ALA 564 Cb -0.13 -2.94 1.56 0.00 0.00 0.00 0.00 23.12 21.61 3gql s ALA 564 CO 0.04 -2.02 2.17 0.66 0.00 0.00 0.00 175.76 176.61 3gql h SER 565 N 8.07 0.00 -1.67 0.00 4.64 -1.85 -3.29 113.55 119.45 3gql h SER 565 Ca -0.12 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.47 3gql h SER 565 Cb 1.04 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.85 3gql h SER 565 CO 0.82 0.05 0.90 0.29 -0.87 0.00 0.00 176.83 178.02 3gql n LYS 566 N -3.97 2.78 0.00 4.77 5.02 -0.00 -4.97 118.16 121.79 3gql n LYS 566 Ca -0.03 -3.51 0.00 0.00 -2.02 0.00 0.00 58.31 52.75 3gql n LYS 566 Cb 0.14 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 32.87 3gql n LYS 566 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gql n GLY 567 N -0.65 0.50 4.00 0.72 0.00 -1.24 -4.39 105.19 104.12 3gql n GLY 567 Ca 0.56 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 3gql n GLY 567 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gql s ASN 568 N -4.00 4.71 0.14 1.61 2.20 -1.26 -1.20 114.94 117.14 3gql s ASN 568 Ca 0.00 -0.41 -0.17 0.00 -0.94 0.00 0.00 52.86 51.34 3gql s ASN 568 Cb 0.00 -0.12 0.01 0.00 -2.00 0.00 0.00 41.25 39.14 3gql s ASN 568 CO 0.00 -1.59 1.77 0.25 -2.94 0.00 0.00 177.10 174.59 3gql h LEU 569 N -0.23 0.24 -0.23 3.54 5.85 -0.20 -0.53 115.31 123.74 3gql h LEU 569 Ca -0.36 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.43 3gql h LEU 569 Cb 1.28 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.22 3gql h LEU 569 CO 0.42 0.18 -0.12 -0.09 -0.34 0.00 0.00 178.44 178.49 3gql h ARG 570 N 0.33 -0.09 -0.45 1.25 2.43 -1.84 0.15 114.38 116.15 3gql h ARG 570 Ca 0.13 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3gql h ARG 570 Cb 0.04 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3gql h ARG 570 CO -0.09 -0.06 0.19 0.93 -1.51 0.00 0.00 179.97 179.43 3gql h GLU 571 N -0.10 0.67 -0.35 0.20 5.08 -1.86 -1.46 114.58 116.77 3gql h GLU 571 Ca 0.13 -0.12 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 3gql h GLU 571 Cb 0.29 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 3gql h GLU 571 CO -0.30 0.60 0.03 -0.92 -1.00 0.00 0.00 179.01 177.43 3gql h TYR 572 N 0.59 0.04 -0.51 4.33 3.20 -0.46 -1.74 116.97 122.42 3gql h TYR 572 Ca 0.15 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.93 3gql h TYR 572 Cb 0.18 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 3gql h TYR 572 CO -0.00 -0.03 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.28 3gql h LEU 573 N 0.14 0.99 0.55 2.82 3.38 -0.55 -3.08 115.31 119.56 3gql h LEU 573 Ca 0.17 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3gql h LEU 573 Cb 0.21 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.70 3gql h LEU 573 CO -0.25 1.12 -0.27 1.56 0.09 0.00 0.00 178.44 180.69 3gql h GLN 574 N 0.87 -0.72 0.00 1.13 4.20 -0.94 -2.06 115.11 117.59 3gql h GLN 574 Ca 0.13 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3gql h GLN 574 Cb 0.70 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.64 3gql h GLN 574 CO 0.05 -0.44 0.17 0.00 -0.67 0.00 0.00 178.83 177.95 3gql n ALA 575 N -2.48 0.78 -1.88 3.87 0.00 -0.69 -1.37 120.51 118.75 3gql n ALA 575 Ca -0.12 0.12 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3gql n ALA 575 Cb 0.32 -0.94 0.04 0.00 0.00 0.00 0.00 19.45 18.87 3gql n ALA 575 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gql n ARG 576 N -1.98 3.22 -3.85 0.00 1.74 -0.78 -5.00 116.66 110.02 3gql n ARG 576 Ca -0.01 -3.90 -0.35 0.00 -0.77 0.00 0.00 57.85 52.83 3gql n ARG 576 Cb 0.19 -2.28 -0.09 0.00 -1.02 0.00 0.00 32.46 29.27 3gql n ARG 576 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3gql s ARG 577 N -3.71 4.10 1.26 5.56 0.52 -0.47 -4.55 118.95 121.65 3gql s ARG 577 Ca 0.55 -0.27 -0.16 0.00 -0.52 0.00 0.00 55.73 55.33 3gql s ARG 577 Cb 0.44 -3.33 0.32 0.00 0.52 0.00 0.00 34.95 32.90 3gql s ARG 577 CO -0.06 0.29 0.99 -1.25 0.02 0.00 0.00 175.30 175.29 3gql s PRO 578 N 0.35 -1.68 0.00 3.54 0.04 -1.26 -5.11 135.00 130.87 3gql s PRO 578 Ca 0.06 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.74 3gql s PRO 578 Cb -0.12 -1.48 0.00 0.00 0.04 0.00 0.00 34.50 32.94 3gql s PRO 578 CO -0.01 -4.18 0.00 -2.30 0.04 0.00 0.00 177.00 170.55 3gql n PRO 579 N -5.21 0.00 -3.76 0.56 -0.02 -1.26 -5.21 135.00 120.10 3gql n PRO 579 Ca 0.05 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.29 3gql n PRO 579 Cb 0.56 -0.41 0.03 0.00 -0.02 0.00 0.00 33.50 33.66 3gql n PRO 579 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3gql n GLU 593 N 0.70 -5.26 -3.83 -0.52 4.07 -1.26 -5.27 120.64 109.28 3gql n GLU 593 Ca 0.00 0.63 -0.12 0.00 -0.06 0.00 0.00 57.16 57.61 3gql n GLU 593 Cb 0.00 -5.31 -0.09 0.00 -0.06 0.00 0.00 31.44 25.97 3gql n GLU 593 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 3gql s GLN 594 N -6.18 0.55 -0.32 5.31 1.11 -1.26 -4.82 119.66 114.05 3gql s GLN 594 Ca 0.23 -0.32 -0.01 0.00 0.01 0.00 0.00 55.36 55.27 3gql s GLN 594 Cb -0.11 0.24 0.10 0.00 -1.01 0.00 0.00 33.01 32.23 3gql s GLN 594 CO 0.81 -0.14 0.12 -0.51 0.01 0.00 0.00 175.29 175.58 3gql s LEU 595 N -1.36 2.02 0.97 2.90 1.43 -1.26 -5.10 118.68 118.29 3gql s LEU 595 Ca -0.14 -1.70 -0.11 0.00 -1.03 0.00 0.00 54.13 51.16 3gql s LEU 595 Cb -0.07 -0.80 0.18 0.00 0.03 0.00 0.00 46.19 45.53 3gql s LEU 595 CO 0.03 -0.40 1.13 -1.54 0.23 0.00 0.00 176.35 175.79 3gql n SER 596 N 4.76 -0.05 0.28 2.29 3.41 -1.26 -4.81 113.62 118.25 3gql n SER 596 Ca -0.01 0.31 0.19 0.00 -0.26 0.00 0.00 58.87 59.10 3gql n SER 596 Cb 0.41 -1.44 0.96 0.00 -0.26 0.00 0.00 64.21 63.88 3gql n SER 596 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3gql h SER 597 N -2.06 0.00 0.00 4.04 0.87 -1.93 -1.72 113.55 112.76 3gql h SER 597 Ca -0.46 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 59.98 3gql h SER 597 Cb 1.28 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.25 3gql h SER 597 CO 0.42 0.00 -0.47 0.50 -0.53 0.00 0.00 176.83 176.76 3gql h LYS 598 N 0.00 0.31 -0.52 2.24 3.11 -1.91 -3.16 116.57 116.63 3gql h LYS 598 Ca 0.00 -0.34 0.10 0.00 -2.81 0.00 0.00 60.65 57.60 3gql h LYS 598 Cb 0.09 0.10 -0.08 0.00 -1.00 0.00 0.00 32.23 31.34 3gql h LYS 598 CO 0.00 1.04 0.08 -0.44 -2.81 0.00 0.00 179.45 177.32 3gql h ASP 599 N -0.28 -0.06 -0.80 4.20 3.32 -1.64 0.50 116.42 121.66 3gql h ASP 599 Ca -0.06 0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.15 3gql h ASP 599 Cb 1.21 0.15 -0.06 0.00 0.22 0.00 0.00 39.33 40.85 3gql h ASP 599 CO 0.09 -0.01 0.49 -0.07 -1.72 0.00 0.00 179.24 178.03 3gql h LEU 600 N 0.21 0.78 0.31 1.55 3.38 -1.60 0.33 115.31 120.26 3gql h LEU 600 Ca 0.27 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 3gql h LEU 600 Cb 0.38 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3gql h LEU 600 CO -0.37 0.51 -0.15 0.58 0.09 0.00 0.00 178.44 179.10 3gql h VAL 601 N 0.91 0.71 -0.91 1.22 2.07 -1.19 -0.95 116.25 118.11 3gql h VAL 601 Ca 0.34 -0.46 0.09 0.00 0.82 0.00 0.00 66.70 67.49 3gql h VAL 601 Cb 0.14 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 3gql h VAL 601 CO -0.16 0.09 0.59 0.77 0.02 0.00 0.00 177.57 178.88 3gql h SER 602 N -0.68 0.85 -0.48 0.57 4.64 -0.73 0.42 113.55 118.14 3gql h SER 602 Ca -0.04 0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.31 3gql h SER 602 Cb 0.47 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 3gql h SER 602 CO 0.07 0.52 0.29 0.00 -0.87 0.00 0.00 176.83 176.84 3gql h ALA 604 N 1.21 1.00 -0.01 0.00 0.00 0.26 -2.93 119.26 118.79 3gql h ALA 604 Ca 0.19 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3gql h ALA 604 Cb -0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3gql h ALA 604 CO -0.08 0.52 0.00 -0.92 0.00 0.00 0.00 179.25 178.78 3gql h TYR 605 N 0.00 0.01 -0.07 0.00 3.20 0.15 -2.37 116.97 117.89 3gql h TYR 605 Ca -0.00 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.89 3gql h TYR 605 Cb 0.93 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.17 3gql h TYR 605 CO 0.00 0.19 -0.10 1.96 -1.64 0.00 0.00 178.16 178.58 3gql h GLN 606 N -0.18 -0.13 -0.06 1.82 4.20 -0.66 -0.45 115.11 119.65 3gql h GLN 606 Ca 0.00 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.74 3gql h GLN 606 Cb 0.19 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 3gql h GLN 606 CO -0.00 -0.09 0.05 0.28 -0.67 0.00 0.00 178.83 178.41 3gql h VAL 607 N -0.14 0.68 -0.00 -0.54 2.07 -1.48 -0.53 116.25 116.31 3gql h VAL 607 Ca 0.06 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.34 3gql h VAL 607 Cb 0.22 0.96 0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3gql h VAL 607 CO -0.15 0.00 -0.98 0.00 0.02 0.00 0.00 177.57 176.46 3gql h ALA 608 N 1.95 0.28 0.54 1.67 0.00 -0.65 -2.57 119.26 120.48 3gql h ALA 608 Ca 0.03 -0.70 -0.03 0.00 0.00 0.00 0.00 54.91 54.21 3gql h ALA 608 Cb 0.14 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.94 3gql h ALA 608 CO -0.00 0.77 -0.26 0.00 0.00 0.00 0.00 179.25 179.76 3gql h ARG 609 N 0.29 -0.70 -0.96 0.00 3.08 0.40 -0.92 114.38 115.58 3gql h ARG 609 Ca -0.10 0.05 0.30 0.00 0.07 0.00 0.00 59.98 60.30 3gql h ARG 609 Cb 1.62 0.16 -0.16 0.00 0.08 0.00 0.00 29.97 31.67 3gql h ARG 609 CO 0.18 -0.47 0.32 0.78 -1.07 0.00 0.00 179.97 179.71 3gql h GLY 610 N -0.88 1.68 1.88 0.04 0.00 -1.39 0.53 103.07 104.92 3gql h GLY 610 Ca -0.07 -0.05 -0.10 0.00 0.00 0.00 0.00 47.33 47.11 3gql h GLY 610 CO 0.12 -0.53 -0.40 -0.33 0.00 0.00 0.00 176.54 175.41 3gql h MET 611 N 0.13 0.14 -0.05 4.80 2.86 -1.28 -2.13 114.93 119.41 3gql h MET 611 Ca 0.67 -0.06 -0.19 0.00 -2.06 0.00 0.00 59.70 58.06 3gql h MET 611 Cb 1.51 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.16 3gql h MET 611 CO -0.74 0.52 -0.77 1.05 1.06 0.00 0.00 176.91 178.03 3gql h GLU 612 N 0.12 0.33 0.90 1.72 4.11 0.15 -2.19 114.58 119.72 3gql h GLU 612 Ca 0.01 -0.29 -0.04 0.00 0.07 0.00 0.00 59.36 59.10 3gql h GLU 612 Cb 0.76 0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.08 3gql h GLU 612 CO 0.06 0.95 -0.43 -0.92 0.07 0.00 0.00 179.01 178.74 3gql h TYR 613 N 0.22 -1.13 -0.82 2.06 3.20 -1.01 0.19 116.97 119.68 3gql h TYR 613 Ca -0.04 -0.03 0.21 0.00 3.14 0.00 0.00 58.73 62.02 3gql h TYR 613 Cb 1.35 0.37 -0.05 0.00 1.54 0.00 0.00 36.73 39.95 3gql h TYR 613 CO 0.04 -0.70 0.57 -0.07 -1.64 0.00 0.00 178.16 176.36 3gql h LEU 614 N -1.26 0.19 -0.64 2.82 3.38 -1.44 0.51 115.31 118.88 3gql h LEU 614 Ca -0.12 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 3gql h LEU 614 Cb 0.93 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 3gql h LEU 614 CO 0.20 0.08 -0.58 0.00 0.09 0.00 0.00 178.44 178.23 3gql h ALA 615 N 1.62 0.83 -0.16 1.53 0.00 -0.71 0.50 119.26 122.87 3gql h ALA 615 Ca 0.41 -0.53 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 3gql h ALA 615 Cb 1.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3gql h ALA 615 CO -0.08 0.71 -0.55 0.66 0.00 0.00 0.00 179.25 179.99 3gql h SER 616 N 0.23 0.54 -0.08 0.00 4.64 0.31 -2.86 113.55 116.32 3gql h SER 616 Ca -0.00 -0.28 -0.04 0.00 -0.47 0.00 0.00 61.79 60.99 3gql h SER 616 Cb 1.09 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 63.00 3gql h SER 616 CO 0.09 0.98 0.06 0.29 -0.87 0.00 0.00 176.83 177.38 3gql n LYS 617 N -3.95 1.10 -2.49 4.77 4.01 -0.40 -4.80 118.16 116.40 3gql n LYS 617 Ca -0.03 -0.25 -0.10 0.00 -0.51 0.00 0.00 58.31 57.42 3gql n LYS 617 Cb 0.60 -1.10 -0.00 0.00 -0.51 0.00 0.00 35.03 34.02 3gql n LYS 617 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3gql n LYS 618 N 0.37 -2.45 -3.74 1.97 4.01 -1.08 -4.92 118.16 112.32 3gql n LYS 618 Ca 0.05 0.45 -0.37 0.00 -0.51 0.00 0.00 58.31 57.93 3gql n LYS 618 Cb 0.60 -5.03 -0.06 0.00 -0.51 0.00 0.00 35.03 30.03 3gql n LYS 618 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3gql s ILE 620 N -1.00 1.82 0.24 0.00 1.01 -1.26 -3.98 121.20 118.03 3gql s ILE 620 Ca 0.18 -1.53 -0.07 0.00 0.00 0.00 0.00 60.65 59.23 3gql s ILE 620 Cb -0.14 -2.08 0.22 0.00 0.01 0.00 0.00 42.46 40.48 3gql s ILE 620 CO 0.07 -0.17 1.90 -0.74 0.00 0.00 0.00 174.94 176.00 3gql h HIS 621 N 7.85 1.14 0.00 3.97 -0.00 -1.93 -3.46 115.15 122.71 3gql h HIS 621 Ca -0.16 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.24 3gql h HIS 621 Cb 1.05 -0.38 0.00 0.00 -0.00 0.00 0.00 27.41 28.08 3gql h HIS 621 CO 0.54 0.69 0.00 -2.13 -0.00 0.00 0.00 177.93 177.03 3gql n ARG 622 N -4.47 0.00 -2.83 5.26 0.63 -1.26 -4.65 116.66 109.34 3gql n ARG 622 Ca 0.11 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.92 3gql n ARG 622 Cb 0.04 -1.58 0.03 0.00 0.45 0.00 0.00 32.46 31.40 3gql n ARG 622 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 3gql n ASP 623 N 0.19 0.30 -4.69 6.15 2.03 -1.26 -5.02 116.55 114.24 3gql n ASP 623 Ca 0.00 -2.87 -0.42 0.00 0.52 0.00 0.00 54.79 52.02 3gql n ASP 623 Cb 0.00 -0.03 -0.03 0.00 -0.72 0.00 0.00 41.12 40.34 3gql n ASP 623 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3gql s LEU 624 N -2.83 4.32 -0.06 -2.67 2.96 -1.26 -4.83 118.68 114.30 3gql s LEU 624 Ca 0.30 2.05 -0.29 0.00 -0.22 0.00 0.00 54.13 55.97 3gql s LEU 624 Cb 0.40 -3.56 0.10 0.00 0.50 0.00 0.00 46.19 43.63 3gql s LEU 624 CO -0.03 -0.66 0.86 0.00 -1.32 0.00 0.00 176.35 175.21 3gql s ALA 625 N 2.13 -1.84 0.54 5.97 0.00 -1.26 -4.72 121.76 122.59 3gql s ALA 625 Ca 0.62 1.26 0.30 0.00 0.00 0.00 0.00 51.96 54.14 3gql s ALA 625 Cb -0.30 -0.07 1.47 0.00 0.00 0.00 0.00 23.12 24.22 3gql s ALA 625 CO 0.26 -0.48 1.91 0.00 0.00 0.00 0.00 175.76 177.45 3gql h ALA 626 N 2.42 2.72 0.00 0.00 0.00 -1.93 0.43 119.26 122.91 3gql h ALA 626 Ca -0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3gql h ALA 626 Cb 1.20 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3gql h ALA 626 CO 0.33 -0.99 0.00 2.89 0.00 0.00 0.00 179.25 181.48 3gql n ARG 627 N -4.23 0.03 -0.33 0.00 1.85 -1.26 -1.94 116.66 110.77 3gql n ARG 627 Ca 0.16 0.09 0.09 0.00 -1.00 0.00 0.00 57.85 57.19 3gql n ARG 627 Cb 0.87 -1.50 0.22 0.00 -1.05 0.00 0.00 32.46 31.00 3gql n ARG 627 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3gql n ASN 628 N -1.48 3.26 -4.24 2.89 3.02 0.15 -4.84 115.26 114.01 3gql n ASN 628 Ca 0.06 -3.09 -0.31 0.00 -0.03 0.00 0.00 54.58 51.21 3gql n ASN 628 Cb 0.27 -0.51 -0.17 0.00 -0.61 0.00 0.00 39.78 38.76 3gql n ASN 628 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gql s VAL 629 N -2.87 2.02 0.24 2.41 1.01 -1.14 -1.06 120.40 121.00 3gql s VAL 629 Ca 0.39 -1.03 0.09 0.00 0.00 0.00 0.00 61.98 61.43 3gql s VAL 629 Cb 0.32 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3gql s VAL 629 CO 0.06 0.56 -0.02 -0.76 0.00 0.00 0.00 175.10 174.94 3gql s LEU 630 N 0.04 3.18 -0.13 3.92 1.43 0.57 -0.66 118.68 127.03 3gql s LEU 630 Ca -0.10 -0.61 0.02 0.00 -1.03 0.00 0.00 54.13 52.42 3gql s LEU 630 Cb -0.15 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.34 3gql s LEU 630 CO 0.06 0.03 -0.18 -0.69 0.23 0.00 0.00 176.35 175.79 3gql s VAL 631 N -2.17 1.73 0.77 -1.59 1.01 -0.34 -1.18 120.40 118.62 3gql s VAL 631 Ca 0.30 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 3gql s VAL 631 Cb -0.07 -1.56 0.18 0.00 0.00 0.00 0.00 36.38 34.92 3gql s VAL 631 CO 0.19 0.49 1.04 0.35 0.00 0.00 0.00 175.10 177.17 3gql n THR 632 N 4.24 0.00 0.11 3.92 -2.24 -1.02 -0.82 114.28 118.46 3gql n THR 632 Ca -0.19 -0.81 0.03 0.00 -2.27 0.00 0.00 64.05 60.81 3gql n THR 632 Cb 0.51 -1.57 0.41 0.00 -2.10 0.00 0.00 70.33 67.58 3gql n THR 632 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3gql h GLU 633 N 0.00 0.28 -0.92 -0.78 4.57 -1.92 -2.35 114.58 113.46 3gql h GLU 633 Ca -0.34 -0.05 -0.24 0.00 -1.18 0.00 0.00 59.36 57.55 3gql h GLU 633 Cb 0.94 -0.05 -0.14 0.00 -0.16 0.00 0.00 28.75 29.35 3gql h GLU 633 CO 0.24 0.35 0.30 -0.25 -1.18 0.00 0.00 179.01 178.48 3gql n ASP 634 N -4.33 3.68 -3.96 1.04 10.43 -1.26 -4.91 116.55 117.24 3gql n ASP 634 Ca -0.00 -2.92 -0.34 0.00 2.57 0.00 0.00 54.79 54.10 3gql n ASP 634 Cb 0.22 -0.69 -0.00 0.00 1.84 0.00 0.00 41.12 42.49 3gql n ASP 634 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3gql n ASN 635 N -0.28 -2.68 -4.36 -2.24 3.02 -0.89 -4.96 115.26 102.87 3gql n ASN 635 Ca 0.33 -1.13 -0.33 0.00 -0.03 0.00 0.00 54.58 53.41 3gql n ASN 635 Cb 1.15 -2.55 -0.14 0.00 -0.61 0.00 0.00 39.78 37.63 3gql n ASN 635 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gql s VAL 636 N -3.76 3.06 -0.27 2.41 1.01 -1.26 -4.91 120.40 116.68 3gql s VAL 636 Ca 0.28 -0.65 -0.28 0.00 0.00 0.00 0.00 61.98 61.33 3gql s VAL 636 Cb -0.13 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.97 3gql s VAL 636 CO 0.92 0.52 0.99 -0.04 0.00 0.00 0.00 175.10 177.48 3gql s MET 637 N 0.48 4.15 -0.17 2.72 1.00 -1.26 -2.42 119.30 123.80 3gql s MET 637 Ca -0.09 1.11 0.00 0.00 0.00 0.00 0.00 55.69 56.71 3gql s MET 637 Cb -0.16 -3.68 0.03 0.00 0.00 0.00 0.00 34.83 31.02 3gql s MET 637 CO 0.04 -0.71 -0.11 0.15 0.00 0.00 0.00 175.02 174.39 3gql s LYS 638 N 3.26 2.04 0.29 2.03 1.02 -0.33 -4.23 119.74 123.83 3gql s LYS 638 Ca 0.42 -0.63 -0.29 0.00 0.02 0.00 0.00 55.97 55.48 3gql s LYS 638 Cb -0.14 -2.16 -0.10 0.00 -0.52 0.00 0.00 37.83 34.91 3gql s LYS 638 CO 0.10 -0.33 1.19 0.42 -0.92 0.00 0.00 175.35 175.81 3gql s ILE 639 N 1.49 3.19 0.40 2.17 1.01 -0.38 -0.32 121.20 128.76 3gql s ILE 639 Ca 0.02 1.17 0.05 0.00 0.00 0.00 0.00 60.65 61.89 3gql s ILE 639 Cb -0.14 -3.75 -0.06 0.00 0.01 0.00 0.00 42.46 38.52 3gql s ILE 639 CO -0.09 0.27 0.04 0.00 0.00 0.00 0.00 174.94 175.16 3gql s ALA 640 N -1.04 3.01 -1.38 9.38 0.00 -0.23 -1.37 121.76 130.13 3gql s ALA 640 Ca 0.47 -1.83 -0.03 0.00 0.00 0.00 0.00 51.96 50.57 3gql s ALA 640 Cb -0.35 0.38 0.01 0.00 0.00 0.00 0.00 23.12 23.16 3gql s ALA 640 CO 0.45 -0.19 0.23 -0.25 0.00 0.00 0.00 175.76 176.00 3gql n ASP 641 N -0.95 -4.83 0.05 0.00 8.00 -1.26 -4.86 116.55 112.70 3gql n ASP 641 Ca -0.06 -0.07 0.12 0.00 0.71 0.00 0.00 54.79 55.49 3gql n ASP 641 Cb 0.67 -4.01 0.22 0.00 -0.02 0.00 0.00 41.12 37.97 3gql n ASP 641 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 3gql n PHE 642 N -3.89 0.46 -1.58 1.24 1.16 -1.26 -4.18 117.46 109.41 3gql n PHE 642 Ca -0.14 0.13 -0.28 0.00 -1.87 0.00 0.00 57.45 55.29 3gql n PHE 642 Cb 0.62 -0.60 0.07 0.00 -1.61 0.00 0.00 39.48 37.96 3gql n PHE 642 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3gql n GLY 643 N 1.37 5.94 3.96 4.97 0.00 -1.26 -4.73 105.19 115.43 3gql n GLY 643 Ca 0.04 -2.30 -0.22 0.00 0.00 0.00 0.00 46.02 43.53 3gql n GLY 643 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gql s LEU 644 N -3.68 4.30 -0.18 0.99 1.43 -1.26 -4.49 118.68 115.79 3gql s LEU 644 Ca 0.58 0.07 -0.04 0.00 -1.03 0.00 0.00 54.13 53.72 3gql s LEU 644 Cb 0.47 -2.84 0.09 0.00 0.03 0.00 0.00 46.19 43.93 3gql s LEU 644 CO 0.01 -0.04 0.24 0.00 0.23 0.00 0.00 176.35 176.79 3gql s ALA 645 N -1.94 -0.42 0.00 4.21 0.00 -1.26 -5.10 121.76 117.26 3gql s ALA 645 Ca 0.34 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.80 3gql s ALA 645 Cb -0.09 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.77 3gql s ALA 645 CO 0.29 -1.04 0.00 2.89 0.00 0.00 0.00 175.76 177.90 3gql n ARG 646 N 5.33 0.00 0.00 0.00 1.85 -1.26 -5.08 116.66 117.50 3gql n ARG 646 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 3gql n ARG 646 Cb 0.50 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.91 3gql n ARG 646 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 3gql n PRO 663 N 0.00 0.00 0.10 2.89 -0.04 -1.26 -5.24 135.00 131.45 3gql n PRO 663 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 3gql n PRO 663 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 3gql n PRO 663 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3gql h VAL 664 N 0.00 1.20 0.00 0.52 2.07 -2.02 -3.24 116.25 114.79 3gql h VAL 664 Ca 0.00 -2.72 0.00 0.00 0.82 0.00 0.00 66.70 64.80 3gql h VAL 664 Cb 0.00 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 3gql h VAL 664 CO 0.00 0.68 0.00 0.11 0.02 0.00 0.00 177.57 178.38 3gql h LYS 665 N 0.00 0.00 0.00 1.57 1.57 -2.00 -0.58 116.57 117.13 3gql h LYS 665 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3gql h LYS 665 Cb 1.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.87 3gql h LYS 665 CO 0.09 0.00 -1.26 0.91 -0.57 0.00 0.00 179.45 178.62 3gql n TRP 666 N -2.83 0.11 -2.52 -1.35 8.01 -1.22 -4.95 117.44 112.69 3gql n TRP 666 Ca -0.02 0.03 -0.42 0.00 -1.31 0.00 0.00 57.50 55.78 3gql n TRP 666 Cb 0.10 -0.31 -0.03 0.00 -2.01 0.00 0.00 31.31 29.06 3gql n TRP 666 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3gql s MET 667 N -3.21 4.45 0.70 -0.99 -1.94 -0.23 -3.86 119.30 114.22 3gql s MET 667 Ca 0.02 1.64 -0.14 0.00 -1.71 0.00 0.00 55.69 55.50 3gql s MET 667 Cb 0.15 -3.43 0.02 0.00 2.01 0.00 0.00 34.83 33.58 3gql s MET 667 CO 0.85 -0.24 1.13 0.00 -0.01 0.00 0.00 175.02 176.75 3gql s ALA 668 N 1.31 2.32 0.15 3.03 0.00 -1.26 -4.76 121.76 122.55 3gql s ALA 668 Ca 0.56 0.61 -0.23 0.00 0.00 0.00 0.00 51.96 52.89 3gql s ALA 668 Cb -0.26 -3.36 0.04 0.00 0.00 0.00 0.00 23.12 19.54 3gql s ALA 668 CO 0.27 -1.53 1.61 -1.35 0.00 0.00 0.00 175.76 174.76 3gql h PRO 669 N -0.23 -0.27 0.06 0.00 0.11 -1.95 0.86 132.00 130.59 3gql h PRO 669 Ca -0.47 0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.69 3gql h PRO 669 Cb 1.26 0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.39 3gql h PRO 669 CO 0.52 -0.18 -0.28 1.05 -0.21 0.00 0.00 178.00 178.90 3gql h GLU 670 N -0.28 -0.45 -0.06 1.05 9.09 -1.92 -0.48 114.58 121.53 3gql h GLU 670 Ca 0.15 0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.59 3gql h GLU 670 Cb 0.51 0.10 0.00 0.00 -1.65 0.00 0.00 28.75 27.71 3gql h GLU 670 CO -0.45 -0.30 0.00 0.00 0.05 0.00 0.00 179.01 178.31 3gql n ALA 671 N -2.68 2.38 -0.38 1.06 0.00 -1.05 -3.31 120.51 116.54 3gql n ALA 671 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3gql n ALA 671 Cb 0.30 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3gql n ALA 671 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gql n LEU 672 N -0.46 0.77 0.17 0.00 4.77 0.27 -4.56 117.00 117.96 3gql n LEU 672 Ca 0.00 0.21 0.05 0.00 -0.03 0.00 0.00 56.01 56.24 3gql n LEU 672 Cb 0.01 -0.31 0.17 0.00 -2.33 0.00 0.00 43.42 40.96 3gql n LEU 672 CO 0.00 -0.31 0.59 -0.26 -1.33 0.00 0.00 177.39 176.08 3gql h PHE 673 N 0.00 0.00 -4.56 -1.77 0.04 -1.72 -3.45 116.94 105.47 3gql h PHE 673 Ca 0.00 0.00 -0.42 0.00 2.80 0.00 0.00 57.97 60.35 3gql h PHE 673 Cb 0.00 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.07 3gql h PHE 673 CO 0.00 0.40 -0.32 -3.47 -0.60 0.00 0.00 178.31 174.32 3gql n ASP 674 N -3.30 2.33 -4.00 2.17 2.03 -1.21 -5.11 116.55 109.46 3gql n ASP 674 Ca 0.01 -2.48 -0.32 0.00 0.52 0.00 0.00 54.79 52.52 3gql n ASP 674 Cb 0.63 0.39 -0.10 0.00 -0.72 0.00 0.00 41.12 41.32 3gql n ASP 674 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3gql s ARG 675 N -3.16 2.63 -0.71 -0.67 1.81 -1.26 -4.09 118.95 113.50 3gql s ARG 675 Ca 0.05 -3.05 0.04 0.00 -1.72 0.00 0.00 55.73 51.04 3gql s ARG 675 Cb 0.00 -3.61 0.29 0.00 -0.45 0.00 0.00 34.95 31.18 3gql s ARG 675 CO 0.03 -1.23 1.00 -0.89 -0.68 0.00 0.00 175.30 173.54 3gql n ILE 676 N 2.55 3.31 -2.43 1.52 5.41 -1.26 -4.98 119.36 123.48 3gql n ILE 676 Ca 0.15 -5.51 -0.41 0.00 1.00 0.00 0.00 62.75 57.99 3gql n ILE 676 Cb 0.36 -1.81 -0.03 0.00 -0.71 0.00 0.00 39.64 37.45 3gql n ILE 676 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 3gql s TYR 677 N -3.03 2.17 0.50 1.39 1.51 -1.26 -4.32 117.35 114.30 3gql s TYR 677 Ca 0.42 0.21 0.00 0.00 -1.01 0.00 0.00 57.07 56.70 3gql s TYR 677 Cb 0.19 -4.48 0.00 0.00 -0.11 0.00 0.00 41.96 37.56 3gql s TYR 677 CO -0.05 -2.09 0.03 0.25 -1.11 0.00 0.00 175.55 172.58 3gql n THR 678 N 6.63 0.00 0.23 -0.71 -2.24 -1.26 -4.99 114.28 111.93 3gql n THR 678 Ca 0.08 -2.32 0.08 0.00 -2.27 0.00 0.00 64.05 59.62 3gql n THR 678 Cb 0.50 0.43 0.55 0.00 -2.10 0.00 0.00 70.33 69.70 3gql n THR 678 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3gql h HIS 679 N 1.21 0.00 0.00 4.78 3.86 -1.93 -2.72 115.15 120.35 3gql h HIS 679 Ca -0.41 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 58.61 3gql h HIS 679 Cb 1.24 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.68 3gql h HIS 679 CO 0.00 0.22 -0.99 -0.56 0.86 0.00 0.00 177.93 177.46 3gql h GLN 680 N 0.00 0.00 0.00 2.45 -0.00 -1.93 -2.55 115.11 113.09 3gql h GLN 680 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3gql h GLN 680 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.95 3gql h GLN 680 CO 0.03 0.85 0.00 -1.13 -0.00 0.00 0.00 178.83 178.58 3gql n SER 681 N -3.29 0.00 -0.11 0.06 3.41 -1.04 -1.72 113.62 110.94 3gql n SER 681 Ca -0.02 -0.65 -0.13 0.00 -0.26 0.00 0.00 58.87 57.81 3gql n SER 681 Cb 0.91 -0.03 -0.14 0.00 -0.26 0.00 0.00 64.21 64.70 3gql n SER 681 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3gql n ASP 682 N -1.03 0.92 -0.07 4.04 9.92 -1.07 -3.84 116.55 125.43 3gql n ASP 682 Ca 0.17 -0.06 -0.02 0.00 -0.53 0.00 0.00 54.79 54.34 3gql n ASP 682 Cb 0.09 0.40 0.22 0.00 -0.64 0.00 0.00 41.12 41.19 3gql n ASP 682 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3gql h VAL 683 N 0.00 1.22 0.18 2.53 2.07 -0.92 0.16 116.25 121.49 3gql h VAL 683 Ca -0.55 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.11 3gql h VAL 683 Cb 2.08 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.67 3gql h VAL 683 CO -0.02 0.31 -0.31 -0.25 0.02 0.00 0.00 177.57 177.32 3gql h TRP 684 N 0.66 -0.84 0.00 1.57 2.91 -1.47 -0.26 115.95 118.53 3gql h TRP 684 Ca 0.14 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.16 3gql h TRP 684 Cb 0.37 0.34 -0.00 0.00 -0.51 0.00 0.00 29.16 29.36 3gql h TRP 684 CO 0.02 -0.42 -0.05 0.77 -1.03 0.00 0.00 178.44 177.73 3gql h SER 685 N -0.57 0.00 -0.55 2.65 0.02 -1.51 -0.67 113.55 112.93 3gql h SER 685 Ca 0.02 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 3gql h SER 685 Cb 0.57 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 3gql h SER 685 CO -0.14 0.05 -0.06 0.15 -1.14 0.00 0.00 176.83 175.69 3gql h PHE 686 N 0.00 1.13 -0.22 3.45 3.57 0.35 -0.59 116.94 124.62 3gql h PHE 686 Ca -0.00 -0.21 0.01 0.00 3.53 0.00 0.00 57.97 61.30 3gql h PHE 686 Cb 0.10 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 3gql h PHE 686 CO 0.00 1.02 0.11 0.78 -2.23 0.00 0.00 178.31 177.99 3gql h GLY 687 N 0.97 0.29 2.00 2.40 0.00 0.43 0.45 103.07 109.61 3gql h GLY 687 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3gql h GLY 687 CO 0.04 0.06 0.00 -2.08 0.00 0.00 0.00 176.54 174.56 3gql h VAL 688 N 0.23 0.00 0.17 4.60 2.07 -1.21 -1.41 116.25 120.69 3gql h VAL 688 Ca 0.09 -0.21 -0.33 0.00 0.82 0.00 0.00 66.70 67.07 3gql h VAL 688 Cb 0.03 0.96 0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3gql h VAL 688 CO -0.06 0.00 -1.66 0.25 0.02 0.00 0.00 177.57 176.12 3gql h LEU 689 N 0.00 0.56 -0.47 2.57 6.46 0.79 -3.03 115.31 122.18 3gql h LEU 689 Ca 0.00 -0.79 0.02 0.00 -0.12 0.00 0.00 57.88 57.00 3gql h LEU 689 Cb 0.27 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.99 3gql h LEU 689 CO 0.00 1.66 0.27 -0.07 -0.62 0.00 0.00 178.44 179.68 3gql h LEU 690 N 0.10 0.43 -1.11 2.25 3.38 0.78 -0.76 115.31 120.38 3gql h LEU 690 Ca -0.30 0.01 0.10 0.00 0.09 0.00 0.00 57.88 57.78 3gql h LEU 690 Cb 2.08 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 42.67 3gql h LEU 690 CO 0.18 0.31 0.61 -0.25 0.09 0.00 0.00 178.44 179.38 3gql h TRP 691 N 0.54 1.06 -0.09 1.13 7.01 -1.38 0.81 115.95 125.02 3gql h TRP 691 Ca 0.19 0.03 -0.12 0.00 2.11 0.00 0.00 58.89 61.10 3gql h TRP 691 Cb 0.03 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 26.74 3gql h TRP 691 CO -0.07 0.47 -0.48 0.93 -2.79 0.00 0.00 178.44 176.49 3gql h GLU 692 N 0.97 0.24 -0.01 2.65 5.08 -1.08 -3.14 114.58 119.28 3gql h GLU 692 Ca 0.45 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3gql h GLU 692 Cb 0.41 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3gql h GLU 692 CO -0.21 0.67 -0.01 0.82 -1.00 0.00 0.00 179.01 179.29 3gql h ILE 693 N 0.19 1.32 -0.21 3.13 2.04 0.42 0.15 117.51 124.55 3gql h ILE 693 Ca 0.01 -0.95 -0.11 0.00 1.00 0.00 0.00 64.86 64.80 3gql h ILE 693 Cb 0.92 1.94 -0.06 0.00 -0.74 0.00 0.00 36.82 38.88 3gql h ILE 693 CO 0.07 0.25 0.15 0.49 0.00 0.00 0.00 178.15 179.11 3gql n PHE 694 N -4.88 0.64 -1.91 1.37 3.72 -0.08 -1.88 117.46 114.44 3gql n PHE 694 Ca -0.08 -0.91 0.00 0.00 -0.05 0.00 0.00 57.45 56.41 3gql n PHE 694 Cb 0.22 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.30 3gql n PHE 694 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3gql n THR 695 N 0.33 0.00 -4.32 4.37 -2.24 -1.19 -4.58 114.28 106.64 3gql n THR 695 Ca 0.13 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.57 3gql n THR 695 Cb 0.70 0.38 -0.08 0.00 -2.10 0.00 0.00 70.33 69.23 3gql n THR 695 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3gql n LEU 696 N 0.00 -1.15 0.00 3.22 4.77 -0.79 -1.71 117.00 121.34 3gql n LEU 696 Ca 0.00 -1.21 0.00 0.00 -0.03 0.00 0.00 56.01 54.77 3gql n LEU 696 Cb 0.62 -1.72 0.00 0.00 -2.33 0.00 0.00 43.42 39.99 3gql n LEU 696 CO 0.00 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3gql n GLY 697 N -2.02 1.20 3.80 -0.72 0.00 0.51 -3.37 105.19 104.59 3gql n GLY 697 Ca -0.18 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 3gql n GLY 697 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gql s GLY 698 N -2.24 2.03 -0.20 -0.02 0.00 -0.69 -4.95 107.32 101.24 3gql s GLY 698 Ca 0.00 0.36 -0.20 0.00 0.00 0.00 0.00 44.72 44.88 3gql s GLY 698 CO 0.00 0.69 0.58 -0.45 0.00 0.00 0.00 173.10 173.92 3gql s SER 699 N -2.95 6.63 0.58 1.64 0.15 -1.26 -4.67 113.70 113.82 3gql s SER 699 Ca 0.63 0.76 -0.20 0.00 0.70 0.00 0.00 55.95 57.84 3gql s SER 699 Cb -0.17 -2.32 -0.05 0.00 -1.71 0.00 0.00 66.02 61.77 3gql s SER 699 CO 0.42 -0.24 1.10 -0.81 1.20 0.00 0.00 173.24 174.91 3gql n PRO 700 N 4.99 1.15 -3.28 5.44 -0.04 -1.26 -3.94 135.00 138.05 3gql n PRO 700 Ca -0.03 0.43 -0.14 0.00 -0.04 0.00 0.00 63.50 63.73 3gql n PRO 700 Cb 0.50 -2.30 0.04 0.00 -0.04 0.00 0.00 33.50 31.70 3gql n PRO 700 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3gql n TYR 701 N -1.48 -2.52 -1.94 0.54 4.01 -1.26 -4.91 117.16 109.60 3gql n TYR 701 Ca 0.13 0.88 -0.42 0.00 -0.16 0.00 0.00 57.90 58.32 3gql n TYR 701 Cb 0.46 -3.96 -0.03 0.00 -0.31 0.00 0.00 39.34 35.50 3gql n TYR 701 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 3gql s PRO 702 N -4.25 4.20 -0.99 -0.72 0.02 -1.25 -2.69 135.00 129.31 3gql s PRO 702 Ca 0.31 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.65 3gql s PRO 702 Cb -0.06 -3.57 0.00 0.00 0.02 0.00 0.00 34.50 30.89 3gql s PRO 702 CO 0.77 -0.72 0.00 0.41 -0.33 0.00 0.00 177.00 177.13 3gql n GLY 703 N 3.97 0.73 3.18 0.52 0.00 -1.26 -5.01 105.19 107.31 3gql n GLY 703 Ca 0.16 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 3gql n GLY 703 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gql s VAL 704 N -2.42 2.77 0.23 1.61 1.01 -1.10 -5.09 120.40 117.41 3gql s VAL 704 Ca 0.00 -1.15 -0.31 0.00 0.00 0.00 0.00 61.98 60.52 3gql s VAL 704 Cb 0.00 -2.45 -0.12 0.00 0.00 0.00 0.00 36.38 33.81 3gql s VAL 704 CO 0.00 0.14 1.69 -2.84 0.00 0.00 0.00 175.10 174.09 3gql s PRO 705 N 1.29 4.13 0.26 2.72 0.02 -1.26 -4.85 135.00 137.30 3gql s PRO 705 Ca -0.01 2.59 -0.02 0.00 0.02 0.00 0.00 61.00 63.57 3gql s PRO 705 Cb -0.17 -3.07 0.53 0.00 0.02 0.00 0.00 34.50 31.81 3gql s PRO 705 CO -0.04 -0.72 1.70 0.28 -0.33 0.00 0.00 177.00 177.89 3gql h VAL 706 N 3.72 0.55 -0.66 3.83 2.07 -1.98 -0.64 116.25 123.13 3gql h VAL 706 Ca -0.44 -0.12 0.14 0.00 0.82 0.00 0.00 66.70 67.09 3gql h VAL 706 Cb 1.21 0.16 -0.10 0.00 -1.52 0.00 0.00 31.29 31.03 3gql h VAL 706 CO 0.92 0.07 0.12 -0.33 0.02 0.00 0.00 177.57 178.37 3gql h GLU 707 N 0.36 0.23 -0.03 1.57 3.07 -2.04 -2.01 114.58 115.72 3gql h GLU 707 Ca 0.45 -0.01 -0.19 0.00 -0.50 0.00 0.00 59.36 59.11 3gql h GLU 707 Cb 0.77 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.63 3gql h GLU 707 CO -0.48 0.15 -0.80 0.93 -1.40 0.00 0.00 179.01 177.41 3gql h GLU 708 N 0.24 0.31 -1.48 2.33 5.08 -1.53 -3.30 114.58 116.23 3gql h GLU 708 Ca 0.36 -0.29 0.49 0.00 -1.00 0.00 0.00 59.36 58.92 3gql h GLU 708 Cb 0.58 0.07 -0.13 0.00 0.50 0.00 0.00 28.75 29.78 3gql h GLU 708 CO -0.48 0.96 0.98 -0.11 -1.00 0.00 0.00 179.01 179.36 3gql n LEU 709 N -3.77 0.17 0.22 1.33 7.94 -0.69 -0.42 117.00 121.79 3gql n LEU 709 Ca -0.04 1.29 -0.10 0.00 -1.11 0.00 0.00 56.01 56.05 3gql n LEU 709 Cb 0.75 -0.64 -0.05 0.00 0.53 0.00 0.00 43.42 44.01 3gql n LEU 709 CO 0.48 -1.39 0.52 -0.26 -1.11 0.00 0.00 177.39 175.63 3gql h PHE 710 N 0.00 -0.66 -0.89 1.96 0.04 -1.66 -2.21 116.94 113.52 3gql h PHE 710 Ca 0.88 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.63 3gql h PHE 710 Cb 2.98 0.24 -0.04 0.00 2.20 0.00 0.00 35.95 41.33 3gql h PHE 710 CO -0.00 -0.37 0.49 1.57 -0.60 0.00 0.00 178.31 179.39 3gql h LYS 711 N -0.62 1.24 -0.85 1.51 2.10 -0.97 -2.96 116.57 116.03 3gql h LYS 711 Ca -0.06 -0.15 0.01 0.00 -2.00 0.00 0.00 60.65 58.46 3gql h LYS 711 Cb 0.49 -0.24 -0.04 0.00 -0.90 0.00 0.00 32.23 31.53 3gql h LYS 711 CO 0.06 0.91 0.56 -0.07 -2.00 0.00 0.00 179.45 178.91 3gql h LEU 712 N 1.25 0.97 -0.95 7.07 3.38 -1.20 -1.94 115.31 123.89 3gql h LEU 712 Ca 0.31 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.15 3gql h LEU 712 Cb 0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3gql h LEU 712 CO -0.05 0.70 -0.48 -0.07 0.09 0.00 0.00 178.44 178.62 3gql h LEU 713 N 1.14 0.10 -0.83 1.67 3.38 -1.31 -2.74 115.31 116.73 3gql h LEU 713 Ca 0.32 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.13 3gql h LEU 713 Cb -0.12 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3gql h LEU 713 CO -0.07 0.57 -0.51 0.11 0.09 0.00 0.00 178.44 178.62 3gql h LYS 714 N 0.08 0.00 0.00 1.13 1.57 -1.26 -2.97 116.57 115.12 3gql h LYS 714 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gql h LYS 714 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 3gql h LYS 714 CO 0.07 0.51 0.00 0.39 -0.57 0.00 0.00 179.45 179.85 3gql n GLU 715 N -3.68 0.42 -0.08 3.15 1.02 -0.78 -4.88 120.64 115.80 3gql n GLU 715 Ca -0.01 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3gql n GLU 715 Cb 0.57 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 3gql n GLU 715 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gql n GLY 716 N 1.03 0.82 3.74 0.62 0.00 -1.12 -5.07 105.19 105.22 3gql n GLY 716 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3gql n GLY 716 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gql s HIS 717 N -2.05 3.88 0.25 1.61 3.76 -1.08 -5.05 115.29 116.60 3gql s HIS 717 Ca 0.00 1.77 0.02 0.00 -0.15 0.00 0.00 55.06 56.71 3gql s HIS 717 Cb 0.00 -2.96 -0.05 0.00 1.11 0.00 0.00 32.58 30.68 3gql s HIS 717 CO 0.00 0.34 0.05 1.03 -0.85 0.00 0.00 174.74 175.31 3gql s ARG 718 N -0.57 1.39 0.54 1.40 1.81 -1.26 -4.46 118.95 117.80 3gql s ARG 718 Ca 0.42 -1.73 -0.20 0.00 -1.72 0.00 0.00 55.73 52.50 3gql s ARG 718 Cb -0.24 -0.48 -0.06 0.00 -0.45 0.00 0.00 34.95 33.72 3gql s ARG 718 CO 0.29 -0.19 1.12 -1.64 -0.68 0.00 0.00 175.30 174.20 3gql s MET 719 N -3.94 3.39 0.39 3.54 -1.94 -1.26 -5.01 119.30 114.47 3gql s MET 719 Ca 0.33 1.59 -0.12 0.00 -1.71 0.00 0.00 55.69 55.78 3gql s MET 719 Cb 0.07 -2.01 -0.07 0.00 2.01 0.00 0.00 34.83 34.82 3gql s MET 719 CO 0.11 -0.81 0.77 -0.51 -0.01 0.00 0.00 175.02 174.57 3gql s ASP 720 N -1.78 6.60 -0.25 3.03 1.01 -1.26 -4.97 116.67 119.06 3gql s ASP 720 Ca 0.72 1.20 -0.40 0.00 0.71 0.00 0.00 52.55 54.79 3gql s ASP 720 Cb -0.23 -2.35 -0.15 0.00 1.01 0.00 0.00 42.92 41.19 3gql s ASP 720 CO 0.26 -0.35 1.74 1.17 0.21 0.00 0.00 175.17 178.20 3gql n LYS 721 N -1.03 1.24 -1.15 8.23 4.81 -1.26 -4.92 118.16 124.07 3gql n LYS 721 Ca 0.03 0.46 -0.29 0.00 -0.87 0.00 0.00 58.31 57.63 3gql n LYS 721 Cb 0.54 -2.15 0.15 0.00 0.02 0.00 0.00 35.03 33.59 3gql n LYS 721 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3gql s PRO 722 N 3.47 0.96 0.30 1.64 0.04 -1.26 -4.95 135.00 135.20 3gql s PRO 722 Ca 0.97 0.77 -0.29 0.00 0.04 0.00 0.00 61.00 62.50 3gql s PRO 722 Cb -1.03 -1.78 -0.10 0.00 0.04 0.00 0.00 34.50 31.63 3gql s PRO 722 CO 0.64 -2.43 1.34 0.45 0.04 0.00 0.00 177.00 177.04 3gql s SER 723 N -3.37 6.75 0.00 6.66 0.15 -1.26 -2.85 113.70 119.78 3gql s SER 723 Ca 0.64 2.67 0.00 0.00 0.70 0.00 0.00 55.95 59.96 3gql s SER 723 Cb -0.19 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.48 3gql s SER 723 CO 0.57 -0.58 0.00 0.59 1.20 0.00 0.00 173.24 175.03 3gql n ASN 724 N 1.27 0.00 -4.71 5.45 5.03 -1.26 -4.88 115.26 116.16 3gql n ASN 724 Ca 0.02 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.05 3gql n ASN 724 Cb 0.41 -0.36 -0.03 0.00 -1.02 0.00 0.00 39.78 38.79 3gql n ASN 724 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3gql s THR 726 N 1.02 2.04 0.07 0.00 -4.23 -1.26 -4.84 115.64 108.44 3gql s THR 726 Ca 0.55 0.01 -0.18 0.00 -1.18 0.00 0.00 61.69 60.89 3gql s THR 726 Cb -0.26 -2.06 -0.10 0.00 1.34 0.00 0.00 72.50 71.42 3gql s THR 726 CO 0.29 -0.02 1.45 -0.55 -0.54 0.00 0.00 174.62 175.25 3gql h ASN 727 N -2.46 0.48 -0.12 3.99 -1.07 -2.00 -2.86 115.58 111.55 3gql h ASN 727 Ca -0.57 -0.39 -0.00 0.00 0.07 0.00 0.00 56.30 55.41 3gql h ASN 727 Cb 1.32 -0.13 -0.01 0.00 -2.07 0.00 0.00 38.32 37.43 3gql h ASN 727 CO 0.48 0.76 0.07 -0.08 0.07 0.00 0.00 177.43 178.74 3gql h GLU 728 N 0.20 0.16 0.00 4.14 4.81 -2.00 -2.31 114.58 119.58 3gql h GLU 728 Ca 0.06 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3gql h GLU 728 Cb 0.57 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 3gql h GLU 728 CO 0.03 0.13 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.37 3gql h LEU 729 N 0.13 -0.02 -1.76 1.64 3.38 -1.94 -1.95 115.31 114.81 3gql h LEU 729 Ca 0.04 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.14 3gql h LEU 729 Cb 0.02 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3gql h LEU 729 CO -0.01 -0.01 0.40 0.22 0.09 0.00 0.00 178.44 179.13 3gql h TYR 730 N -0.01 0.29 -0.50 1.13 3.20 -1.43 0.95 116.97 120.59 3gql h TYR 730 Ca 0.00 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.78 3gql h TYR 730 Cb 0.01 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 3gql h TYR 730 CO -0.08 0.13 -0.09 0.52 -1.64 0.00 0.00 178.16 177.00 3gql h MET 731 N 0.26 0.95 -0.12 1.82 2.86 -0.80 -2.61 114.93 117.29 3gql h MET 731 Ca 0.28 -0.35 0.04 0.00 -2.06 0.00 0.00 59.70 57.61 3gql h MET 731 Cb 0.75 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.30 3gql h MET 731 CO -0.06 1.01 -0.18 1.98 1.06 0.00 0.00 176.91 180.72 3gql h MET 732 N 0.81 -0.23 0.00 1.72 1.85 -0.11 0.19 114.93 119.16 3gql h MET 732 Ca 0.13 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.24 3gql h MET 732 Cb 0.64 0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.72 3gql h MET 732 CO 0.04 -0.15 0.00 0.00 -0.40 0.00 0.00 176.91 176.40 3gql n MET 733 N -5.32 0.11 0.05 0.39 -0.00 -0.93 -1.76 117.12 109.66 3gql n MET 733 Ca -0.03 0.36 -0.05 0.00 -0.00 0.00 0.00 57.70 57.99 3gql n MET 733 Cb 0.24 -1.71 -0.09 0.00 -0.00 0.00 0.00 33.22 31.66 3gql n MET 733 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3gql h ARG 734 N 0.00 0.00 -0.21 3.17 2.47 -0.60 -2.90 114.38 116.32 3gql h ARG 734 Ca 0.00 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.56 3gql h ARG 734 Cb 0.29 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 3gql h ARG 734 CO 0.00 0.70 -0.54 -0.44 0.56 0.00 0.00 179.97 180.25 3gql h ASP 735 N 0.00 0.67 0.15 7.04 3.32 -0.49 -2.90 116.42 124.23 3gql h ASP 735 Ca -0.09 -0.36 -0.06 0.00 0.02 0.00 0.00 57.03 56.54 3gql h ASP 735 Cb 1.72 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 41.07 3gql h ASP 735 CO 0.10 1.08 -0.24 0.00 -1.72 0.00 0.00 179.24 178.46 3gql n TRP 737 N -4.20 1.13 -1.68 0.00 8.01 -1.10 -3.67 117.44 115.92 3gql n TRP 737 Ca -0.01 -0.41 -0.43 0.00 -1.31 0.00 0.00 57.50 55.34 3gql n TRP 737 Cb 0.33 -0.29 -0.03 0.00 -2.01 0.00 0.00 31.31 29.31 3gql n TRP 737 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.69 178.26 3gql n HIS 738 N 0.44 2.54 -0.30 -5.99 -0.00 -0.76 -4.86 115.22 106.29 3gql n HIS 738 Ca 0.16 -0.15 0.11 0.00 0.46 0.00 0.00 57.72 58.30 3gql n HIS 738 Cb 0.74 -2.73 0.33 0.00 -0.12 0.00 0.00 29.99 28.22 3gql n HIS 738 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3gql h ALA 739 N 8.88 1.73 -1.79 1.57 0.00 -1.91 -3.36 119.26 124.39 3gql h ALA 739 Ca -0.47 0.02 -0.61 0.00 0.00 0.00 0.00 54.91 53.85 3gql h ALA 739 Cb 1.23 -0.14 -0.12 0.00 0.00 0.00 0.00 17.79 18.76 3gql h ALA 739 CO 0.94 0.01 0.59 0.08 0.00 0.00 0.00 179.25 180.87 3gql s VAL 740 N -5.77 4.36 0.25 0.00 1.01 -1.26 -4.94 120.40 114.04 3gql s VAL 740 Ca -0.11 0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.12 3gql s VAL 740 Cb 0.22 -4.56 0.23 0.00 0.00 0.00 0.00 36.38 32.28 3gql s VAL 740 CO 0.80 -1.15 1.69 1.55 0.00 0.00 0.00 175.10 177.99 3gql h PRO 741 N 9.34 0.30 0.00 2.72 0.13 -1.97 0.49 132.00 143.01 3gql h PRO 741 Ca -0.26 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 3gql h PRO 741 Cb 1.07 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 3gql h PRO 741 CO 1.10 0.20 -0.04 0.66 -0.23 0.00 0.00 178.00 179.68 3gql h SER 742 N 0.31 0.00 0.51 1.44 4.64 -1.93 -1.08 113.55 117.43 3gql h SER 742 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3gql h SER 742 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3gql h SER 742 CO -0.49 0.04 -0.29 0.00 -0.87 0.00 0.00 176.83 175.22 3gql n GLN 743 N -3.43 0.30 -2.25 4.77 3.00 0.15 -4.89 117.38 115.03 3gql n GLN 743 Ca -0.02 -0.14 -0.32 0.00 -0.01 0.00 0.00 57.00 56.50 3gql n GLN 743 Cb 0.17 -1.50 -0.02 0.00 0.00 0.00 0.00 30.24 28.89 3gql n GLN 743 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 3gql s ARG 744 N -2.80 3.70 0.84 -1.09 0.52 -0.41 -5.00 118.95 114.71 3gql s ARG 744 Ca 0.18 1.05 -0.11 0.00 -0.52 0.00 0.00 55.73 56.32 3gql s ARG 744 Cb 0.19 -2.10 0.09 0.00 0.52 0.00 0.00 34.95 33.65 3gql s ARG 744 CO 0.59 -0.48 1.09 -1.25 0.02 0.00 0.00 175.30 175.27 3gql s PRO 745 N -4.09 1.75 0.16 3.54 0.04 -1.26 -5.06 135.00 130.07 3gql s PRO 745 Ca 0.61 0.75 0.05 0.00 0.04 0.00 0.00 61.00 62.45 3gql s PRO 745 Cb -0.12 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 3gql s PRO 745 CO 0.34 -1.88 0.11 0.95 0.04 0.00 0.00 177.00 176.56 3gql s THR 746 N -3.04 4.40 0.52 1.26 -4.23 -1.26 -4.90 115.64 108.38 3gql s THR 746 Ca 0.62 -1.09 0.26 0.00 -1.18 0.00 0.00 61.69 60.29 3gql s THR 746 Cb -0.16 -3.23 0.41 0.00 1.34 0.00 0.00 72.50 70.86 3gql s THR 746 CO 0.55 -0.08 1.97 -0.26 -0.54 0.00 0.00 174.62 176.26 3gql h PHE 747 N 2.54 0.04 -0.50 3.99 0.04 -1.93 0.40 116.94 121.52 3gql h PHE 747 Ca -0.47 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.25 3gql h PHE 747 Cb 1.20 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 39.32 3gql h PHE 747 CO 0.59 0.01 0.12 -0.22 -0.60 0.00 0.00 178.31 178.21 3gql h LYS 748 N 0.03 0.79 0.14 1.51 1.63 -1.94 -0.35 116.57 118.39 3gql h LYS 748 Ca 0.29 -0.19 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 3gql h LYS 748 Cb 1.12 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 3gql h LYS 748 CO -0.01 0.76 -0.07 1.96 -3.45 0.00 0.00 179.45 178.64 3gql h GLN 749 N 0.68 -0.18 -1.01 1.90 4.20 -0.76 -2.71 115.11 117.23 3gql h GLN 749 Ca 0.16 0.01 0.24 0.00 0.06 0.00 0.00 58.65 59.12 3gql h GLN 749 Cb 0.32 0.04 -0.10 0.00 0.30 0.00 0.00 27.48 28.05 3gql h GLN 749 CO 0.00 0.15 0.64 -0.07 -0.67 0.00 0.00 178.83 178.88 3gql h LEU 750 N -0.53 0.53 -0.28 1.46 3.38 -0.54 0.22 115.31 119.55 3gql h LEU 750 Ca -0.02 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3gql h LEU 750 Cb 0.41 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3gql h LEU 750 CO 0.03 0.13 -0.00 0.58 0.09 0.00 0.00 178.44 179.27 3gql h VAL 751 N 0.49 1.26 0.32 1.22 2.07 -0.91 0.09 116.25 120.78 3gql h VAL 751 Ca 0.58 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3gql h VAL 751 Cb 1.32 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 3gql h VAL 751 CO -0.32 0.30 -0.35 -0.33 0.02 0.00 0.00 177.57 176.89 3gql h GLU 752 N 0.29 -0.68 0.40 1.57 3.07 -0.31 0.25 114.58 119.18 3gql h GLU 752 Ca 0.08 0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.98 3gql h GLU 752 Cb 0.43 0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 3gql h GLU 752 CO 0.01 -0.45 -0.28 -0.44 -1.40 0.00 0.00 179.01 176.45 3gql h ASP 753 N -0.70 -0.72 -0.97 1.42 3.32 -1.18 -0.84 116.42 116.75 3gql h ASP 753 Ca -0.02 0.05 0.11 0.00 0.02 0.00 0.00 57.03 57.19 3gql h ASP 753 Cb 0.64 0.22 -0.08 0.00 0.22 0.00 0.00 39.33 40.34 3gql h ASP 753 CO -0.08 -0.43 0.60 -0.07 -1.72 0.00 0.00 179.24 177.54 3gql h LEU 754 N -0.67 0.89 -0.74 1.55 3.38 -0.90 0.12 115.31 118.93 3gql h LEU 754 Ca -0.04 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3gql h LEU 754 Cb 0.57 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3gql h LEU 754 CO 0.02 0.49 0.37 -0.78 0.09 0.00 0.00 178.44 178.62 3gql h ASP 755 N 0.97 0.96 -0.67 -0.43 -0.00 -0.08 -1.73 116.42 115.45 3gql h ASP 755 Ca 0.47 -0.12 -0.04 0.00 -0.00 0.00 0.00 57.03 57.34 3gql h ASP 755 Cb 0.43 -0.25 -0.03 0.00 -0.00 0.00 0.00 39.33 39.49 3gql h ASP 755 CO -0.25 0.81 0.26 -0.09 -0.00 0.00 0.00 179.24 179.97 3gql h ARG 756 N 1.04 1.03 0.00 0.28 2.43 0.42 -1.82 114.38 117.75 3gql h ARG 756 Ca 0.26 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3gql h ARG 756 Cb 0.10 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3gql h ARG 756 CO -0.03 0.84 0.00 -0.89 -1.51 0.00 0.00 179.97 178.38 3gql n ILE 757 N -4.29 0.61 0.13 1.20 5.41 -0.31 -1.34 119.36 120.78 3gql n ILE 757 Ca 0.06 -0.01 -0.01 0.00 1.00 0.00 0.00 62.75 63.79 3gql n ILE 757 Cb 0.19 -0.80 0.15 0.00 -0.71 0.00 0.00 39.64 38.47 3gql n ILE 757 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3gql h VAL 758 N 0.00 1.40 0.00 1.39 2.07 -0.44 -2.30 116.25 118.37 3gql h VAL 758 Ca 0.00 -2.20 -0.14 0.00 0.82 0.00 0.00 66.70 65.17 3gql h VAL 758 Cb 0.52 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 3gql h VAL 758 CO 0.00 0.62 -0.71 0.00 0.02 0.00 0.00 177.57 177.50 3gql h ALA 759 N 1.37 0.56 -0.25 1.67 0.00 -1.07 -2.77 119.26 118.76 3gql h ALA 759 Ca -0.01 -0.63 0.05 0.00 0.00 0.00 0.00 54.91 54.33 3gql h ALA 759 Cb 1.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3gql h ALA 759 CO 0.08 0.86 0.18 -0.07 0.00 0.00 0.00 179.25 180.29 3gql h LEU 760 N 0.00 0.08 -5.06 0.00 -0.00 -0.76 0.22 115.31 109.79 3gql h LEU 760 Ca -0.01 -0.00 -0.61 0.00 -0.00 0.00 0.00 57.88 57.26 3gql h LEU 760 Cb 1.53 -0.02 -0.14 0.00 -0.00 0.00 0.00 40.66 42.03 3gql h LEU 760 CO 0.09 0.05 1.42 0.41 -0.00 0.00 0.00 178.44 180.41 3gql n THR 761 N -4.48 4.27 1.25 0.22 -1.04 -1.05 -4.41 114.28 109.04 3gql n THR 761 Ca 0.03 -3.58 0.10 0.00 -2.04 0.00 0.00 64.05 58.56 3gql n THR 761 Cb 0.26 -1.86 0.60 0.00 -1.82 0.00 0.00 70.33 67.51 3gql n THR 761 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3gql n SER 762 N 1.41 0.00 -3.24 8.00 2.88 0.76 -4.48 113.62 118.94 3gql n SER 762 Ca 0.56 -0.53 0.03 0.00 -1.33 0.00 0.00 58.87 57.61 3gql n SER 762 Cb 0.41 -0.06 -0.04 0.00 -0.75 0.00 0.00 64.21 63.77 3gql n SER 762 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 3gql s ASN 763 N -2.12 -0.21 0.00 -3.46 2.47 -1.26 -5.08 114.94 105.27 3gql s ASN 763 Ca 0.29 0.29 0.00 0.00 0.42 0.00 0.00 52.86 53.86 3gql s ASN 763 Cb 0.14 1.24 0.00 0.00 -1.45 0.00 0.00 41.25 41.18 3gql s ASN 763 CO 0.26 -0.04 0.00 0.00 -3.72 0.00 0.00 177.10 173.60 3gql n GLN 764 N 4.70 0.00 0.00 0.43 3.00 -1.26 -5.09 117.38 119.16 3gql n GLN 764 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 3gql n GLN 764 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.79 3gql n GLN 764 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 3gql n GLU 765 N -0.88 0.00 -0.69 -1.09 -0.00 -1.26 -4.80 120.64 111.93 3gql n GLU 765 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 57.16 57.24 3gql n GLU 765 Cb 0.00 -0.64 0.00 0.00 -0.00 0.00 0.00 31.44 30.80 3gql n GLU 765 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79