#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f2n s PRO 472 N 0.00 2.47 0.23 1.61 0.04 -1.26 -4.97 135.00 133.12 3f2n s PRO 472 Ca 0.00 1.06 0.07 0.00 0.04 0.00 0.00 61.00 62.17 3f2n s PRO 472 Cb 0.00 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 3f2n s PRO 472 CO 0.00 -1.46 0.16 0.14 0.04 0.00 0.00 177.00 175.88 3f2n s VAL 473 N -2.96 4.36 0.75 -0.36 -7.23 0.09 -4.83 120.40 110.22 3f2n s VAL 473 Ca 0.60 -1.35 -0.12 0.00 -1.81 0.00 0.00 61.98 59.30 3f2n s VAL 473 Cb -0.16 -3.32 0.05 0.00 0.56 0.00 0.00 36.38 33.51 3f2n s VAL 473 CO 0.56 -0.28 1.10 -2.16 -0.31 0.00 0.00 175.10 174.01 3f2n s PRO 474 N -3.59 2.35 0.41 4.82 0.04 -1.26 -0.80 135.00 136.97 3f2n s PRO 474 Ca 0.32 1.23 0.14 0.00 0.04 0.00 0.00 61.00 62.73 3f2n s PRO 474 Cb -0.08 -1.90 0.99 0.00 0.04 0.00 0.00 34.50 33.54 3f2n s PRO 474 CO 0.24 -1.58 1.91 0.74 0.04 0.00 0.00 177.00 178.35 3f2n h PHE 475 N -0.87 0.58 0.00 0.56 0.04 -1.95 -0.68 116.94 114.61 3f2n h PHE 475 Ca -0.44 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.32 3f2n h PHE 475 Cb 1.24 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 39.20 3f2n h PHE 475 CO 0.57 0.22 -0.10 0.66 -0.60 0.00 0.00 178.31 179.05 3f2n h SER 476 N 0.49 0.00 -0.53 2.17 4.64 -1.91 0.38 113.55 118.78 3f2n h SER 476 Ca 0.39 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.74 3f2n h SER 476 Cb 0.82 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.87 3f2n h SER 476 CO -0.14 0.10 0.31 -0.74 -0.87 0.00 0.00 176.83 175.49 3f2n h HIS 477 N 0.00 0.57 0.04 4.77 -0.00 -1.47 -2.92 115.15 116.13 3f2n h HIS 477 Ca -0.00 0.02 -0.30 0.00 -0.00 0.00 0.00 60.37 60.09 3f2n h HIS 477 Cb 0.30 -0.18 -0.04 0.00 -0.00 0.00 0.00 27.41 27.49 3f2n h HIS 477 CO 0.00 0.32 -1.65 0.00 -0.00 0.00 0.00 177.93 176.60 3f2n n LEU 479 N -3.20 1.31 -4.63 0.00 4.77 0.12 -4.99 117.00 110.38 3f2n n LEU 479 Ca -0.17 -4.88 -0.29 0.00 -0.03 0.00 0.00 56.01 50.64 3f2n n LEU 479 Cb 1.04 0.11 0.19 0.00 -2.33 0.00 0.00 43.42 42.43 3f2n n LEU 479 CO 0.46 1.98 0.61 -2.16 -1.33 0.00 0.00 177.39 176.95 3f2n s PRO 480 N -1.29 0.18 0.19 3.23 0.04 -1.11 -4.35 135.00 131.89 3f2n s PRO 480 Ca 0.35 0.70 -0.18 0.00 0.04 0.00 0.00 61.00 61.91 3f2n s PRO 480 Cb 0.11 -1.69 0.15 0.00 0.04 0.00 0.00 34.50 33.11 3f2n s PRO 480 CO -0.11 -2.95 1.61 1.15 0.04 0.00 0.00 177.00 176.74 3f2n h THR 481 N -2.06 0.28 -0.63 1.26 2.02 -1.98 -0.73 112.91 111.08 3f2n h THR 481 Ca -0.55 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.56 3f2n h THR 481 Cb 1.32 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 3f2n h THR 481 CO 0.54 0.00 0.12 -0.08 0.37 0.00 0.00 175.52 176.47 3f2n h GLU 482 N -0.12 1.03 -0.62 6.66 4.81 -1.99 0.66 114.58 125.02 3f2n h GLU 482 Ca 0.25 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3f2n h GLU 482 Cb 0.50 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 3f2n h GLU 482 CO -0.62 0.95 0.32 -0.22 -0.73 0.00 0.00 179.01 178.71 3f2n h LYS 483 N 0.95 0.88 -0.40 1.92 3.64 -1.61 -2.37 116.57 119.57 3f2n h LYS 483 Ca 0.19 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3f2n h LYS 483 Cb 0.41 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 3f2n h LYS 483 CO 0.01 0.68 0.23 -0.07 -2.27 0.00 0.00 179.45 178.04 3f2n h LEU 484 N 0.84 0.49 -2.36 5.20 3.38 -0.74 -2.64 115.31 119.48 3f2n h LEU 484 Ca 0.21 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3f2n h LEU 484 Cb 0.08 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3f2n h LEU 484 CO -0.03 0.41 -0.01 1.56 0.09 0.00 0.00 178.44 180.47 3f2n h GLN 485 N 0.53 0.00 -0.02 1.13 4.20 -0.58 -2.28 115.11 118.08 3f2n h GLN 485 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3f2n h GLN 485 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3f2n h GLN 485 CO -0.03 0.01 -0.00 0.54 -0.67 0.00 0.00 178.83 178.68 3f2n n ARG 486 N -3.96 1.85 -2.20 1.46 1.74 -0.92 -4.93 116.66 109.70 3f2n n ARG 486 Ca -0.03 -1.25 -0.42 0.00 -0.77 0.00 0.00 57.85 55.38 3f2n n ARG 486 Cb 0.09 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.03 3f2n n ARG 486 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3f2n s GLU 488 N 0.88 1.74 0.15 0.00 2.02 0.26 -4.81 118.70 118.94 3f2n s GLU 488 Ca 0.63 -0.57 -0.30 0.00 0.02 0.00 0.00 54.97 54.74 3f2n s GLU 488 Cb -0.36 -1.50 -0.08 0.00 0.10 0.00 0.00 34.13 32.29 3f2n s GLU 488 CO 0.32 0.21 1.27 0.21 0.02 0.00 0.00 175.26 177.29 3f2n s LYS 489 N 0.13 4.41 -0.00 1.61 2.20 -1.26 0.06 119.74 126.89 3f2n s LYS 489 Ca -0.05 1.95 0.01 0.00 -0.36 0.00 0.00 55.97 57.52 3f2n s LYS 489 Cb -0.12 -3.25 -0.01 0.00 -1.51 0.00 0.00 37.83 32.94 3f2n s LYS 489 CO 0.02 -0.24 0.04 0.44 -0.36 0.00 0.00 175.35 175.25 3f2n n ILE 490 N 3.10 0.00 -1.36 5.43 -5.35 0.16 -4.86 119.36 116.47 3f2n n ILE 490 Ca 0.07 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 3f2n n ILE 490 Cb 0.44 0.88 0.00 0.00 -1.74 0.00 0.00 39.64 39.21 3f2n n ILE 490 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3f2n n GLY 491 N 1.36 -1.41 3.51 3.28 0.00 -1.10 -5.02 105.19 105.80 3f2n n GLY 491 Ca 0.00 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 3f2n n GLY 491 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3f2n s GLU 492 N -1.35 1.30 0.35 1.61 -1.05 -1.26 -1.13 118.70 117.16 3f2n s GLU 492 Ca 0.00 -0.53 -0.01 0.00 -0.15 0.00 0.00 54.97 54.27 3f2n s GLU 492 Cb 0.00 0.56 0.01 0.00 -0.44 0.00 0.00 34.13 34.26 3f2n s GLU 492 CO 0.00 -0.57 0.48 0.41 0.95 0.00 0.00 175.26 176.53 3f2n n GLY 493 N -0.38 2.14 0.34 -3.83 0.00 -0.00 -4.99 105.19 98.47 3f2n n GLY 493 Ca -0.14 -1.62 0.10 0.00 0.00 0.00 0.00 46.02 44.36 3f2n n GLY 493 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3f2n h VAL 494 N 2.01 0.94 -1.10 1.61 2.07 -1.97 -2.74 116.25 117.07 3f2n h VAL 494 Ca -0.27 -0.14 -0.59 0.00 0.82 0.00 0.00 66.70 66.52 3f2n h VAL 494 Cb 1.18 0.50 -0.40 0.00 -1.52 0.00 0.00 31.29 31.04 3f2n h VAL 494 CO 0.37 0.07 -0.52 0.49 0.02 0.00 0.00 177.57 178.00 3f2n n PHE 495 N -4.47 3.03 0.00 1.57 3.72 -1.26 -4.73 117.46 115.32 3f2n n PHE 495 Ca 0.08 -2.60 0.00 0.00 -0.05 0.00 0.00 57.45 54.88 3f2n n PHE 495 Cb 0.30 -0.41 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 3f2n n PHE 495 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3f2n n GLY 496 N -0.64 2.97 3.36 1.37 0.00 -1.03 -4.71 105.19 106.50 3f2n n GLY 496 Ca 0.45 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 3f2n n GLY 496 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f2n s GLU 497 N -2.00 1.91 -0.08 1.61 0.41 -0.92 -0.82 118.70 118.80 3f2n s GLU 497 Ca 0.00 -1.06 0.02 0.00 -0.41 0.00 0.00 54.97 53.52 3f2n s GLU 497 Cb 0.00 -2.03 0.02 0.00 -1.78 0.00 0.00 34.13 30.33 3f2n s GLU 497 CO 0.00 0.53 -0.12 0.08 -0.49 0.00 0.00 175.26 175.26 3f2n s VAL 498 N -0.79 1.19 0.11 2.63 1.01 -0.28 -0.77 120.40 123.50 3f2n s VAL 498 Ca 0.12 -0.48 0.10 0.00 0.00 0.00 0.00 61.98 61.72 3f2n s VAL 498 Cb -0.10 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 3f2n s VAL 498 CO 0.02 0.38 -0.26 -0.36 0.00 0.00 0.00 175.10 174.88 3f2n s PHE 499 N 0.90 2.20 -0.05 5.22 0.08 -0.07 -0.67 117.98 125.60 3f2n s PHE 499 Ca -0.10 -0.39 -0.01 0.00 0.12 0.00 0.00 56.93 56.56 3f2n s PHE 499 Cb -0.15 -1.21 -0.03 0.00 -0.57 0.00 0.00 43.02 41.05 3f2n s PHE 499 CO 0.01 0.29 0.02 1.14 -0.10 0.00 0.00 175.22 176.57 3f2n s GLN 500 N -1.92 2.94 0.00 0.44 -2.07 0.11 -0.12 119.66 119.04 3f2n s GLN 500 Ca 0.12 -0.48 0.00 0.00 -1.82 0.00 0.00 55.36 53.18 3f2n s GLN 500 Cb -0.10 -2.77 0.00 0.00 -1.09 0.00 0.00 33.01 29.05 3f2n s GLN 500 CO 0.05 0.67 0.00 -2.37 -1.32 0.00 0.00 175.29 172.32 3f2n n THR 501 N 1.76 0.00 -4.58 3.63 5.66 -0.61 -0.57 114.28 119.56 3f2n n THR 501 Ca -0.17 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.57 3f2n n THR 501 Cb 0.53 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 69.15 3f2n n THR 501 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3f2n s ILE 502 N -2.53 1.32 -0.14 1.09 -1.09 -1.26 -1.23 121.20 117.36 3f2n s ILE 502 Ca 0.00 -0.57 0.00 0.00 -2.23 0.00 0.00 60.65 57.86 3f2n s ILE 502 Cb 0.00 -1.21 0.02 0.00 -1.58 0.00 0.00 42.46 39.70 3f2n s ILE 502 CO 0.00 0.40 -0.13 0.00 -1.23 0.00 0.00 174.94 173.98 3f2n s ALA 503 N 0.78 1.74 -1.25 9.38 0.00 0.19 -4.62 121.76 127.98 3f2n s ALA 503 Ca -0.12 -0.82 -0.16 0.00 0.00 0.00 0.00 51.96 50.87 3f2n s ALA 503 Cb -0.16 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 21.97 3f2n s ALA 503 CO 0.02 -0.34 0.63 -0.25 0.00 0.00 0.00 175.76 175.82 3f2n n ASP 504 N 4.70 -3.29 -1.60 0.00 8.00 -1.26 -1.72 116.55 121.39 3f2n n ASP 504 Ca -0.17 -1.07 -0.21 0.00 0.71 0.00 0.00 54.79 54.05 3f2n n ASP 504 Cb 0.50 -2.92 -0.09 0.00 -0.02 0.00 0.00 41.12 38.60 3f2n n ASP 504 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3f2n n HIS 505 N -4.42 -0.01 -4.66 1.24 8.25 -1.26 -4.95 115.22 109.40 3f2n n HIS 505 Ca -0.17 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.03 3f2n n HIS 505 Cb 0.62 -3.47 -0.17 0.00 1.12 0.00 0.00 29.99 28.10 3f2n n HIS 505 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3f2n s THR 506 N -2.77 1.24 0.36 1.59 2.01 -0.70 -5.12 115.64 112.25 3f2n s THR 506 Ca 0.00 -0.54 -0.27 0.00 0.31 0.00 0.00 61.69 61.19 3f2n s THR 506 Cb 0.00 -1.13 -0.09 0.00 0.01 0.00 0.00 72.50 71.29 3f2n s THR 506 CO 0.00 0.38 1.16 -2.16 -0.69 0.00 0.00 174.62 173.31 3f2n s PRO 507 N 0.62 4.24 0.05 4.92 0.04 -1.26 -0.64 135.00 142.97 3f2n s PRO 507 Ca -0.15 1.85 -0.02 0.00 0.04 0.00 0.00 61.00 62.72 3f2n s PRO 507 Cb -0.16 -2.84 -0.03 0.00 0.04 0.00 0.00 34.50 31.51 3f2n s PRO 507 CO 0.04 -0.16 -0.01 0.14 0.04 0.00 0.00 177.00 177.06 3f2n s VAL 508 N -1.34 0.20 -0.11 -0.36 -7.23 -0.37 -3.57 120.40 107.62 3f2n s VAL 508 Ca 0.53 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 59.07 3f2n s VAL 508 Cb -0.31 -1.35 -0.02 0.00 0.56 0.00 0.00 36.38 35.25 3f2n s VAL 508 CO 0.40 -0.90 -0.11 0.00 -0.31 0.00 0.00 175.10 174.17 3f2n s ALA 509 N -3.62 2.72 -0.16 1.32 0.00 -0.51 -1.57 121.76 119.94 3f2n s ALA 509 Ca 0.04 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.11 3f2n s ALA 509 Cb 0.06 -1.20 0.02 0.00 0.00 0.00 0.00 23.12 22.00 3f2n s ALA 509 CO -0.09 0.36 -0.20 0.42 0.00 0.00 0.00 175.76 176.25 3f2n s ILE 510 N -0.06 1.96 -0.16 0.00 1.01 0.83 -0.24 121.20 124.55 3f2n s ILE 510 Ca -0.02 -0.89 -0.05 0.00 0.00 0.00 0.00 60.65 59.68 3f2n s ILE 510 Cb -0.14 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 3f2n s ILE 510 CO 0.04 0.53 0.02 -0.75 0.00 0.00 0.00 174.94 174.77 3f2n s LYS 511 N 1.13 3.75 -0.16 2.79 2.20 0.05 -0.89 119.74 128.61 3f2n s LYS 511 Ca 0.00 -0.41 0.01 0.00 -0.36 0.00 0.00 55.97 55.20 3f2n s LYS 511 Cb -0.14 -3.05 0.02 0.00 -1.51 0.00 0.00 37.83 33.15 3f2n s LYS 511 CO -0.08 0.32 -0.15 0.42 -0.36 0.00 0.00 175.35 175.50 3f2n s ILE 512 N 0.20 1.66 -0.12 5.43 1.01 0.05 -0.90 121.20 128.52 3f2n s ILE 512 Ca 0.02 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 59.96 3f2n s ILE 512 Cb -0.13 -1.57 0.01 0.00 0.01 0.00 0.00 42.46 40.78 3f2n s ILE 512 CO 0.01 0.43 -0.21 -0.63 0.00 0.00 0.00 174.94 174.54 3f2n s ILE 513 N 1.44 1.97 0.08 2.92 1.01 -0.01 -2.16 121.20 126.45 3f2n s ILE 513 Ca 0.04 -0.94 -0.30 0.00 0.00 0.00 0.00 60.65 59.45 3f2n s ILE 513 Cb -0.13 -1.73 -0.05 0.00 0.01 0.00 0.00 42.46 40.55 3f2n s ILE 513 CO -0.11 0.53 1.06 0.00 0.00 0.00 0.00 174.94 176.43 3f2n s ALA 514 N 0.70 3.29 0.09 9.38 0.00 -1.26 -0.42 121.76 133.54 3f2n s ALA 514 Ca -0.10 0.69 0.05 0.00 0.00 0.00 0.00 51.96 52.60 3f2n s ALA 514 Cb -0.16 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 3f2n s ALA 514 CO 0.01 -0.23 -0.14 0.96 0.00 0.00 0.00 175.76 176.36 3f2n s ILE 515 N 0.52 1.19 0.00 0.00 -4.36 -0.44 -4.14 121.20 113.97 3f2n s ILE 515 Ca 0.52 -1.51 0.00 0.00 -0.26 0.00 0.00 60.65 59.40 3f2n s ILE 515 Cb -0.26 -1.30 0.00 0.00 1.25 0.00 0.00 42.46 42.16 3f2n s ILE 515 CO 0.30 -0.33 0.00 -0.62 0.24 0.00 0.00 174.94 174.53 3f2n n GLU 516 N 0.90 0.00 -2.68 0.37 -0.58 -0.31 -4.09 120.64 114.25 3f2n n GLU 516 Ca -0.18 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.34 3f2n n GLU 516 Cb 0.56 -3.06 0.03 0.00 -0.57 0.00 0.00 31.44 28.40 3f2n n GLU 516 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3f2n s GLY 517 N -2.00 1.75 0.23 0.62 0.00 -1.26 -5.03 107.32 101.62 3f2n s GLY 517 Ca 0.00 -1.21 0.23 0.00 0.00 0.00 0.00 44.72 43.74 3f2n s GLY 517 CO 0.00 -0.94 1.17 -0.56 0.00 0.00 0.00 173.10 172.77 3f2n h PRO 518 N 0.09 0.00 -6.91 2.90 0.13 -1.98 -3.40 132.00 122.84 3f2n h PRO 518 Ca -0.43 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.19 3f2n h PRO 518 Cb 1.29 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.46 3f2n h PRO 518 CO 0.54 0.00 0.51 -0.51 -0.23 0.00 0.00 178.00 178.31 3f2n s ASP 519 N -5.34 6.74 0.29 1.44 1.01 -1.26 -4.91 116.67 114.64 3f2n s ASP 519 Ca 0.02 2.34 -0.29 0.00 0.71 0.00 0.00 52.55 55.33 3f2n s ASP 519 Cb 0.09 -2.62 -0.10 0.00 1.01 0.00 0.00 42.92 41.30 3f2n s ASP 519 CO 0.76 -0.52 1.34 -0.76 0.21 0.00 0.00 175.17 176.21 3f2n s LEU 520 N -2.19 4.41 -0.08 1.23 1.43 -1.26 -4.22 118.68 118.01 3f2n s LEU 520 Ca 0.53 2.65 -0.01 0.00 -1.03 0.00 0.00 54.13 56.27 3f2n s LEU 520 Cb -0.31 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.30 3f2n s LEU 520 CO 0.40 -0.58 -0.02 -0.69 0.23 0.00 0.00 176.35 175.68 3f2n s VAL 521 N -0.66 0.55 -1.51 -1.59 1.01 0.81 -4.84 120.40 114.15 3f2n s VAL 521 Ca 0.53 -0.00 -0.12 0.00 0.00 0.00 0.00 61.98 62.39 3f2n s VAL 521 Cb -0.40 -0.66 0.08 0.00 0.00 0.00 0.00 36.38 35.40 3f2n s VAL 521 CO 0.48 0.28 0.91 0.59 0.00 0.00 0.00 175.10 177.36 3f2n n ASN 522 N 4.96 -4.00 0.00 3.32 3.02 -1.26 -1.61 115.26 119.69 3f2n n ASN 522 Ca -0.10 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 3f2n n ASN 522 Cb 0.50 -3.78 0.00 0.00 -0.61 0.00 0.00 39.78 35.89 3f2n n ASN 522 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f2n n GLY 523 N -1.67 0.65 3.10 7.41 0.00 -1.26 -4.90 105.19 108.52 3f2n n GLY 523 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 3f2n n GLY 523 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3f2n s SER 524 N -2.25 0.35 0.58 1.61 0.15 -0.64 -5.13 113.70 108.38 3f2n s SER 524 Ca 0.00 -0.81 -0.18 0.00 0.70 0.00 0.00 55.95 55.66 3f2n s SER 524 Cb 0.00 0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.48 3f2n s SER 524 CO 0.00 -0.56 1.14 -1.00 1.20 0.00 0.00 173.24 174.02 3f2n s HIS 525 N -3.36 2.58 0.42 3.44 3.76 -1.26 -0.14 115.29 120.72 3f2n s HIS 525 Ca 0.02 1.54 -0.25 0.00 -0.15 0.00 0.00 55.06 56.22 3f2n s HIS 525 Cb 0.04 -3.31 -0.08 0.00 1.11 0.00 0.00 32.58 30.33 3f2n s HIS 525 CO -0.08 -1.77 1.18 -0.65 -0.85 0.00 0.00 174.74 172.57 3f2n s GLN 526 N -3.48 3.94 0.70 1.40 -0.21 -1.26 -4.85 119.66 115.90 3f2n s GLN 526 Ca 0.73 1.85 -0.15 0.00 0.02 0.00 0.00 55.36 57.81 3f2n s GLN 526 Cb -0.25 -2.60 0.02 0.00 1.00 0.00 0.00 33.01 31.19 3f2n s GLN 526 CO 0.32 -0.42 1.16 0.15 -2.12 0.00 0.00 175.29 174.38 3f2n s LYS 527 N -2.42 2.45 0.57 2.91 1.02 -1.26 -4.64 119.74 118.37 3f2n s LYS 527 Ca 0.59 1.58 -0.05 0.00 0.02 0.00 0.00 55.97 58.11 3f2n s LYS 527 Cb -0.31 -1.89 0.01 0.00 -0.52 0.00 0.00 37.83 35.12 3f2n s LYS 527 CO 0.38 -1.55 0.87 0.95 -0.92 0.00 0.00 175.35 175.08 3f2n s THR 528 N -2.16 3.69 0.24 2.17 -4.23 -1.26 -1.16 115.64 112.93 3f2n s THR 528 Ca 0.71 -0.07 -0.06 0.00 -1.18 0.00 0.00 61.69 61.09 3f2n s THR 528 Cb -0.25 -3.45 0.20 0.00 1.34 0.00 0.00 72.50 70.34 3f2n s THR 528 CO 0.43 -0.44 1.84 0.15 -0.54 0.00 0.00 174.62 176.06 3f2n h PHE 529 N -0.09 0.91 -0.78 3.99 3.57 -1.96 -1.81 116.94 120.76 3f2n h PHE 529 Ca -0.45 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.14 3f2n h PHE 529 Cb 1.26 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.66 3f2n h PHE 529 CO 0.47 0.45 0.51 0.93 -2.23 0.00 0.00 178.31 178.44 3f2n h GLU 530 N 0.89 0.79 0.00 1.11 4.39 -2.01 -1.61 114.58 118.14 3f2n h GLU 530 Ca 0.36 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.02 3f2n h GLU 530 Cb 0.20 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3f2n h GLU 530 CO -0.18 0.52 0.00 0.93 -1.16 0.00 0.00 179.01 179.12 3f2n h GLU 531 N 0.82 0.00 0.00 2.33 5.08 -1.71 -3.07 114.58 118.02 3f2n h GLU 531 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3f2n h GLU 531 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3f2n h GLU 531 CO -0.12 0.00 -1.00 -0.89 -1.00 0.00 0.00 179.01 176.00 3f2n n ILE 532 N -2.96 0.54 -0.34 3.13 2.08 -0.66 -4.33 119.36 116.82 3f2n n ILE 532 Ca 0.02 -0.49 0.07 0.00 0.56 0.00 0.00 62.75 62.90 3f2n n ILE 532 Cb 0.34 -0.26 0.25 0.00 -0.75 0.00 0.00 39.64 39.21 3f2n n ILE 532 CO 0.00 0.00 0.00 0.25 0.56 0.00 0.00 176.55 177.36 3f2n h LEU 533 N 0.00 0.90 -0.63 1.39 5.85 -1.31 -2.03 115.31 119.48 3f2n h LEU 533 Ca 0.00 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3f2n h LEU 533 Cb 0.95 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 3f2n h LEU 533 CO 0.00 0.50 0.40 -0.65 -0.34 0.00 0.00 178.44 178.36 3f2n h PRO 534 N 0.98 0.78 -0.89 5.25 0.11 -1.76 0.42 132.00 136.90 3f2n h PRO 534 Ca 0.47 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.53 3f2n h PRO 534 Cb 0.45 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.34 3f2n h PRO 534 CO -0.23 0.52 0.53 1.49 -0.21 0.00 0.00 178.00 180.09 3f2n h GLU 535 N 0.81 1.22 -0.04 1.05 4.81 -1.64 0.27 114.58 121.06 3f2n h GLU 535 Ca 0.24 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3f2n h GLU 535 Cb -0.04 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.09 3f2n h GLU 535 CO -0.08 0.86 0.02 0.82 -0.73 0.00 0.00 179.01 179.90 3f2n h ILE 536 N 1.23 1.14 -0.35 2.32 2.04 -1.01 -0.06 117.51 122.81 3f2n h ILE 536 Ca 0.32 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 3f2n h ILE 536 Cb -0.03 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3f2n h ILE 536 CO -0.06 0.11 0.19 0.40 0.00 0.00 0.00 178.15 178.79 3f2n h ILE 537 N -0.10 1.15 -0.61 -0.67 2.04 -0.68 -1.08 117.51 117.56 3f2n h ILE 537 Ca 0.01 -0.39 -0.09 0.00 1.00 0.00 0.00 64.86 65.40 3f2n h ILE 537 Cb 0.17 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3f2n h ILE 537 CO -0.00 0.15 0.05 0.40 0.00 0.00 0.00 178.15 178.75 3f2n h ILE 538 N 0.44 1.26 -0.73 -0.67 2.04 -0.88 -0.98 117.51 117.99 3f2n h ILE 538 Ca 0.12 -1.09 0.03 0.00 1.00 0.00 0.00 64.86 64.92 3f2n h ILE 538 Cb 0.07 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3f2n h ILE 538 CO -0.02 0.40 0.46 0.28 0.00 0.00 0.00 178.15 179.27 3f2n h SER 539 N 0.95 0.76 -0.01 1.72 0.02 -0.81 -0.49 113.55 115.70 3f2n h SER 539 Ca 0.18 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3f2n h SER 539 Cb 0.50 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 3f2n h SER 539 CO 0.02 0.53 0.01 0.11 -1.14 0.00 0.00 176.83 176.36 3f2n h LYS 540 N 0.91 0.02 -0.43 3.45 1.57 -0.90 -1.42 116.57 119.76 3f2n h LYS 540 Ca 0.29 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.10 3f2n h LYS 540 Cb 0.00 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 3f2n h LYS 540 CO -0.10 0.13 0.22 0.93 -0.57 0.00 0.00 179.45 180.05 3f2n h GLU 541 N -0.10 0.43 -0.07 3.15 4.39 -0.89 -2.70 114.58 118.78 3f2n h GLU 541 Ca 0.00 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.58 3f2n h GLU 541 Cb 0.12 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3f2n h GLU 541 CO -0.00 0.28 -0.39 -0.07 -1.16 0.00 0.00 179.01 177.67 3f2n h LEU 542 N 0.44 0.16 -1.46 1.33 3.38 -1.08 -2.67 115.31 115.41 3f2n h LEU 542 Ca 0.18 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3f2n h LEU 542 Cb 0.08 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3f2n h LEU 542 CO -0.13 0.54 0.16 -1.28 0.09 0.00 0.00 178.44 177.82 3f2n h SER 543 N 0.13 0.47 0.53 -0.43 0.87 -1.03 -2.56 113.55 111.54 3f2n h SER 543 Ca 0.01 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 3f2n h SER 543 Cb 0.75 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 3f2n h SER 543 CO 0.06 0.42 -0.24 -0.07 -0.53 0.00 0.00 176.83 176.47 3f2n h LEU 544 N 0.53 0.00 -2.05 2.23 3.38 -1.16 -3.27 115.31 114.97 3f2n h LEU 544 Ca 0.13 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.14 3f2n h LEU 544 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3f2n h LEU 544 CO -0.02 0.24 0.10 -0.07 0.09 0.00 0.00 178.44 178.78 3f2n h LEU 545 N 0.00 0.00 -2.16 1.67 3.38 -1.48 -1.46 115.31 115.26 3f2n h LEU 545 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3f2n h LEU 545 Cb 0.57 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 3f2n h LEU 545 CO 0.03 0.00 -0.03 0.77 0.09 0.00 0.00 178.44 179.30 3f2n h SER 546 N 0.00 0.00 -0.31 -0.43 4.64 -1.48 -2.54 113.55 113.43 3f2n h SER 546 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3f2n h SER 546 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3f2n h SER 546 CO -0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 3f2n n GLY 547 N -0.58 2.42 3.28 -0.77 0.00 -0.56 -4.76 105.19 104.21 3f2n n GLY 547 Ca -0.01 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 3f2n n GLY 547 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3f2n n GLU 548 N 0.54 -0.99 0.04 1.61 -0.58 -1.11 -5.07 120.64 115.08 3f2n n GLU 548 Ca 0.11 -1.80 0.00 0.00 -0.42 0.00 0.00 57.16 55.05 3f2n n GLU 548 Cb 0.41 -1.10 0.00 0.00 -0.57 0.00 0.00 31.44 30.18 3f2n n GLU 548 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3f2n n VAL 549 N -3.47 0.66 -0.03 2.62 0.31 -1.26 -4.67 118.33 112.49 3f2n n VAL 549 Ca 0.14 0.22 -0.13 0.00 -0.01 0.00 0.00 64.34 64.56 3f2n n VAL 549 Cb 0.49 -1.37 -0.00 0.00 -0.91 0.00 0.00 33.84 32.05 3f2n n VAL 549 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3f2n s ASN 551 N -6.96 4.14 -0.03 0.00 0.01 -1.26 -0.49 114.94 110.35 3f2n s ASN 551 Ca -0.09 -1.88 0.02 0.00 -0.71 0.00 0.00 52.86 50.20 3f2n s ASN 551 Cb 0.10 -1.04 0.01 0.00 0.41 0.00 0.00 41.25 40.73 3f2n s ASN 551 CO 0.87 -0.39 -0.06 -0.60 -1.51 0.00 0.00 177.10 175.41 3f2n s ARG 552 N 1.30 0.85 -0.10 -0.60 3.52 -0.26 -4.63 118.95 119.02 3f2n s ARG 552 Ca 0.11 -0.19 -0.25 0.00 -0.13 0.00 0.00 55.73 55.27 3f2n s ARG 552 Cb -0.19 -0.82 0.06 0.00 -1.56 0.00 0.00 34.95 32.45 3f2n s ARG 552 CO -0.18 0.02 0.59 -0.08 -0.81 0.00 0.00 175.30 174.83 3f2n s THR 553 N 0.51 0.01 -1.55 4.11 -1.32 -0.97 -1.12 115.64 115.31 3f2n s THR 553 Ca -0.07 -0.09 0.16 0.00 -1.21 0.00 0.00 61.69 60.48 3f2n s THR 553 Cb -0.11 -0.88 0.57 0.00 -1.51 0.00 0.00 72.50 70.56 3f2n s THR 553 CO 0.00 -0.05 1.46 -0.62 -2.21 0.00 0.00 174.62 173.21 3f2n n GLU 554 N 1.57 2.89 -0.01 7.08 1.02 -1.26 -2.14 120.64 129.79 3f2n n GLU 554 Ca -0.18 -2.27 0.14 0.00 -0.02 0.00 0.00 57.16 54.83 3f2n n GLU 554 Cb 0.56 -1.65 0.75 0.00 -0.02 0.00 0.00 31.44 31.09 3f2n n GLU 554 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3f2n n GLY 555 N 1.19 -0.76 0.00 0.62 0.00 -1.26 -4.70 105.19 100.28 3f2n n GLY 555 Ca 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3f2n n GLY 555 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3f2n n PHE 556 N -0.68 0.00 -3.78 1.61 3.72 -1.26 -0.51 117.46 116.56 3f2n n PHE 556 Ca 0.20 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.47 3f2n n PHE 556 Cb 0.15 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.60 3f2n n PHE 556 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 3f2n s ILE 557 N 4.64 0.06 0.30 4.37 1.10 -1.25 -4.19 121.20 126.23 3f2n s ILE 557 Ca 0.00 -0.51 -0.28 0.00 -0.51 0.00 0.00 60.65 59.35 3f2n s ILE 557 Cb 0.00 -0.58 -0.09 0.00 0.15 0.00 0.00 42.46 41.94 3f2n s ILE 557 CO 0.00 -0.28 1.02 -0.83 -2.11 0.00 0.00 174.94 172.74 3f2n s GLY 558 N -1.32 2.98 -0.27 1.50 0.00 -1.26 -3.97 107.32 104.98 3f2n s GLY 558 Ca -0.14 0.72 -0.07 0.00 0.00 0.00 0.00 44.72 45.23 3f2n s GLY 558 CO 0.04 1.26 0.07 -2.27 0.00 0.00 0.00 173.10 172.20 3f2n s LEU 559 N -1.67 3.60 -0.09 0.66 2.96 -1.26 -1.20 118.68 121.67 3f2n s LEU 559 Ca 0.47 -0.43 -0.09 0.00 -0.22 0.00 0.00 54.13 53.85 3f2n s LEU 559 Cb -0.26 -1.90 -0.28 0.00 0.50 0.00 0.00 46.19 44.25 3f2n s LEU 559 CO 0.33 -0.10 0.50 0.78 -1.32 0.00 0.00 176.35 176.54 3f2n h ASN 560 N 8.24 0.49 -4.68 3.68 2.35 -0.76 -3.48 115.58 121.42 3f2n h ASN 560 Ca -0.36 -0.94 0.04 0.00 -0.55 0.00 0.00 56.30 54.50 3f2n h ASN 560 Cb 1.15 -0.16 -0.17 0.00 0.05 0.00 0.00 38.32 39.19 3f2n h ASN 560 CO 0.59 1.81 0.38 -0.94 -1.65 0.00 0.00 177.43 177.63 3f2n s SER 561 N -7.15 -0.47 -0.05 5.81 1.04 -1.12 -5.00 113.70 106.76 3f2n s SER 561 Ca -0.20 0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.50 3f2n s SER 561 Cb 0.06 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.64 3f2n s SER 561 CO 0.80 -0.63 -0.09 -0.69 0.98 0.00 0.00 173.24 173.61 3f2n s VAL 562 N -2.39 0.88 0.08 5.02 1.01 -1.26 -1.22 120.40 122.52 3f2n s VAL 562 Ca -0.01 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.66 3f2n s VAL 562 Cb -0.01 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 3f2n s VAL 562 CO -0.03 0.29 -0.13 -1.00 0.00 0.00 0.00 175.10 174.22 3f2n s HIS 563 N 0.56 1.18 -0.29 5.22 3.76 -0.35 -4.99 115.29 120.38 3f2n s HIS 563 Ca -0.10 -0.51 -0.09 0.00 -0.15 0.00 0.00 55.06 54.21 3f2n s HIS 563 Cb -0.13 -0.65 -0.02 0.00 1.11 0.00 0.00 32.58 32.88 3f2n s HIS 563 CO 0.02 0.05 0.14 0.00 -0.85 0.00 0.00 174.74 174.10 3f2n s VAL 565 N 1.65 2.72 -0.04 0.00 -7.23 -0.18 -0.73 120.40 116.60 3f2n s VAL 565 Ca 0.06 -1.44 0.03 0.00 -1.81 0.00 0.00 61.98 58.82 3f2n s VAL 565 Cb -0.16 -2.21 0.00 0.00 0.56 0.00 0.00 36.38 34.57 3f2n s VAL 565 CO 0.07 0.18 -0.14 -1.58 -0.31 0.00 0.00 175.10 173.31 3f2n s GLN 566 N -1.90 1.52 0.00 4.82 0.74 0.02 -0.89 119.66 123.98 3f2n s GLN 566 Ca 0.16 -0.49 0.00 0.00 0.05 0.00 0.00 55.36 55.08 3f2n s GLN 566 Cb -0.10 -1.33 0.00 0.00 1.10 0.00 0.00 33.01 32.68 3f2n s GLN 566 CO 0.08 0.17 0.00 0.41 -0.55 0.00 0.00 175.29 175.40 3f2n n GLY 567 N 3.28 2.87 3.86 2.59 0.00 -0.29 -3.97 105.19 113.54 3f2n n GLY 567 Ca -0.19 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 3f2n n GLY 567 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f2n s SER 568 N 0.00 5.01 0.15 1.61 1.04 -1.18 -4.14 113.70 116.19 3f2n s SER 568 Ca 0.00 1.11 -0.31 0.00 0.48 0.00 0.00 55.95 57.24 3f2n s SER 568 Cb 0.00 -1.84 -0.08 0.00 0.10 0.00 0.00 66.02 64.19 3f2n s SER 568 CO 0.00 -1.62 1.39 -0.47 0.98 0.00 0.00 173.24 173.52 3f2n s TYR 569 N -3.34 3.22 0.28 5.02 5.04 -1.26 -4.93 117.35 121.37 3f2n s TYR 569 Ca 0.60 0.99 -0.30 0.00 -2.44 0.00 0.00 57.07 55.91 3f2n s TYR 569 Cb -0.12 -3.69 -0.12 0.00 0.35 0.00 0.00 41.96 38.38 3f2n s TYR 569 CO 0.52 -2.37 1.59 -2.30 -1.34 0.00 0.00 175.55 171.66 3f2n n PRO 570 N 3.55 2.64 0.15 4.97 -0.02 -1.26 -4.88 135.00 140.15 3f2n n PRO 570 Ca 0.10 0.94 0.08 0.00 -2.02 0.00 0.00 63.50 62.60 3f2n n PRO 570 Cb 0.42 -2.72 0.57 0.00 -0.02 0.00 0.00 33.50 31.75 3f2n n PRO 570 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3f2n h PRO 571 N 4.98 0.19 -0.12 0.52 0.11 -2.00 -0.79 132.00 134.89 3f2n h PRO 571 Ca -0.46 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 3f2n h PRO 571 Cb 1.23 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3f2n h PRO 571 CO 0.81 0.12 -0.20 -0.07 -0.21 0.00 0.00 178.00 178.46 3f2n h LEU 572 N 0.19 0.19 -0.60 2.35 3.38 -1.94 -0.89 115.31 117.99 3f2n h LEU 572 Ca 0.07 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 3f2n h LEU 572 Cb 0.06 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3f2n h LEU 572 CO -0.01 0.41 -0.49 -0.07 0.09 0.00 0.00 178.44 178.36 3f2n h LEU 573 N 0.19 0.57 -1.13 1.67 3.38 -1.48 -2.11 115.31 116.39 3f2n h LEU 573 Ca 0.03 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 3f2n h LEU 573 Cb 0.46 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3f2n h LEU 573 CO 0.03 0.97 0.24 -0.07 0.09 0.00 0.00 178.44 179.71 3f2n h LEU 574 N 0.42 0.78 -0.62 1.67 3.38 -0.65 0.24 115.31 120.52 3f2n h LEU 574 Ca 0.02 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3f2n h LEU 574 Cb 1.01 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 3f2n h LEU 574 CO 0.09 0.69 0.26 0.50 0.09 0.00 0.00 178.44 180.08 3f2n h LYS 575 N 0.85 0.92 -0.58 1.13 3.64 -1.03 0.66 116.57 122.14 3f2n h LYS 575 Ca 0.20 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 3f2n h LYS 575 Cb 0.15 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3f2n h LYS 575 CO -0.02 0.77 0.17 0.00 -2.27 0.00 0.00 179.45 178.10 3f2n h ALA 576 N 1.10 0.76 -0.48 5.00 0.00 -1.01 -1.80 119.26 122.84 3f2n h ALA 576 Ca 0.21 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3f2n h ALA 576 Cb 0.18 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3f2n h ALA 576 CO -0.02 0.44 0.28 2.35 0.00 0.00 0.00 179.25 182.30 3f2n h TRP 577 N 0.83 0.53 -0.72 0.00 7.01 -0.61 -2.25 115.95 120.73 3f2n h TRP 577 Ca 0.19 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.20 3f2n h TRP 577 Cb 0.30 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.15 3f2n h TRP 577 CO 0.02 0.30 0.43 -0.44 -2.79 0.00 0.00 178.44 175.97 3f2n h ASP 578 N 0.57 0.87 -0.61 2.65 3.32 -0.68 -0.88 116.42 121.66 3f2n h ASP 578 Ca 0.19 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3f2n h ASP 578 Cb 0.02 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 3f2n h ASP 578 CO -0.09 0.68 0.39 -0.74 -1.72 0.00 0.00 179.24 177.76 3f2n h HIS 579 N 0.99 0.79 -0.65 4.55 2.76 -0.99 0.58 115.15 123.17 3f2n h HIS 579 Ca 0.26 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.41 3f2n h HIS 579 Cb -0.03 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 28.64 3f2n h HIS 579 CO -0.01 0.52 0.28 -0.92 -1.30 0.00 0.00 177.93 176.50 3f2n h TYR 580 N 0.83 0.96 -0.54 5.26 3.20 -1.09 -1.98 116.97 123.61 3f2n h TYR 580 Ca 0.22 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 3f2n h TYR 580 Cb -0.06 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 37.90 3f2n h TYR 580 CO -0.03 0.74 0.04 -0.97 -1.64 0.00 0.00 178.16 176.30 3f2n h ASN 581 N 0.90 0.86 0.74 -2.11 -1.24 -0.62 0.38 115.58 114.49 3f2n h ASN 581 Ca 0.22 -0.20 -0.07 0.00 0.71 0.00 0.00 56.30 56.96 3f2n h ASN 581 Cb 0.16 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 3f2n h ASN 581 CO -0.02 0.90 -0.31 0.28 -1.29 0.00 0.00 177.43 176.98 3f2n h SER 582 N 0.84 0.00 0.00 1.15 0.02 -0.70 -1.58 113.55 113.28 3f2n h SER 582 Ca 0.16 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.81 3f2n h SER 582 Cb 0.44 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.94 3f2n h SER 582 CO 0.02 0.31 -1.97 0.35 -1.14 0.00 0.00 176.83 174.40 3f2n n THR 583 N -3.58 1.22 -0.04 -2.27 -2.24 -0.76 -4.75 114.28 101.86 3f2n n THR 583 Ca -0.01 -0.22 -0.03 0.00 -2.27 0.00 0.00 64.05 61.53 3f2n n THR 583 Cb 0.44 -1.86 -0.14 0.00 -2.10 0.00 0.00 70.33 66.68 3f2n n THR 583 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3f2n n LYS 584 N -4.01 0.66 0.00 -0.78 5.02 0.12 -5.09 118.16 114.09 3f2n n LYS 584 Ca -0.37 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 55.95 3f2n n LYS 584 Cb 0.73 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 3f2n n LYS 584 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f2n n GLY 585 N 1.54 -2.11 3.48 0.72 0.00 -0.58 -4.98 105.19 103.26 3f2n n GLY 585 Ca -0.20 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 44.34 3f2n n GLY 585 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3f2n s SER 586 N -1.33 3.91 0.00 1.61 0.15 -1.26 -4.78 113.70 112.00 3f2n s SER 586 Ca 0.00 -0.42 0.22 0.00 0.70 0.00 0.00 55.95 56.45 3f2n s SER 586 Cb 0.00 -0.65 0.55 0.00 -1.71 0.00 0.00 66.02 64.20 3f2n s SER 586 CO 0.00 0.24 1.45 0.00 1.20 0.00 0.00 173.24 176.13 3f2n n ALA 587 N 1.39 2.46 -2.49 5.45 0.00 -1.26 -4.99 120.51 121.08 3f2n n ALA 587 Ca -0.16 -0.80 -0.21 0.00 0.00 0.00 0.00 53.44 52.27 3f2n n ALA 587 Cb 0.52 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 3f2n n ALA 587 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3f2n s ASN 588 N -1.47 5.45 0.32 0.00 0.01 -1.26 -5.00 114.94 112.99 3f2n s ASN 588 Ca 0.36 -0.42 -0.28 0.00 -0.71 0.00 0.00 52.86 51.81 3f2n s ASN 588 Cb 0.20 -1.03 -0.09 0.00 0.41 0.00 0.00 41.25 40.74 3f2n s ASN 588 CO 0.29 -0.38 1.08 -1.81 -1.51 0.00 0.00 177.10 174.77 3f2n s ASP 589 N -4.04 7.08 0.13 -1.22 1.01 -1.26 -4.99 116.67 113.38 3f2n s ASP 589 Ca 0.42 2.20 -0.31 0.00 0.71 0.00 0.00 52.55 55.57 3f2n s ASP 589 Cb -0.07 -2.61 -0.10 0.00 1.01 0.00 0.00 42.92 41.15 3f2n s ASP 589 CO 0.28 -0.27 1.82 -0.60 0.21 0.00 0.00 175.17 176.60 3f2n s ARG 590 N -1.80 4.14 -1.39 8.23 3.52 -1.26 -4.84 118.95 125.54 3f2n s ARG 590 Ca 0.49 2.59 -0.07 0.00 -0.13 0.00 0.00 55.73 58.61 3f2n s ARG 590 Cb -0.29 -3.56 0.01 0.00 -1.56 0.00 0.00 34.95 29.55 3f2n s ARG 590 CO 0.37 -0.83 2.72 -0.35 -0.81 0.00 0.00 175.30 176.39 3f2n n PRO 591 N 5.56 4.02 -0.15 5.12 -0.04 -1.26 -4.41 135.00 143.84 3f2n n PRO 591 Ca 0.18 -2.75 0.06 0.00 -0.04 0.00 0.00 63.50 60.94 3f2n n PRO 591 Cb 0.38 -2.67 0.14 0.00 -0.04 0.00 0.00 33.50 31.31 3f2n n PRO 591 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3f2n n ASP 592 N 2.58 2.77 -0.57 3.54 5.68 -1.26 -4.52 116.55 124.77 3f2n n ASP 592 Ca 0.69 -1.90 0.07 0.00 -0.50 0.00 0.00 54.79 53.14 3f2n n ASP 592 Cb 0.27 -0.19 0.07 0.00 -1.14 0.00 0.00 41.12 40.12 3f2n n ASP 592 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 3f2n n PHE 593 N 0.56 0.04 -2.58 2.11 -1.74 -1.26 -4.97 117.46 109.62 3f2n n PHE 593 Ca 0.11 -0.03 -0.40 0.00 -0.56 0.00 0.00 57.45 56.57 3f2n n PHE 593 Cb 0.40 -0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.35 3f2n n PHE 593 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 3f2n s PHE 594 N -1.15 3.73 0.66 2.97 0.08 -1.26 -5.04 117.98 117.97 3f2n s PHE 594 Ca 0.17 1.78 -0.03 0.00 0.12 0.00 0.00 56.93 58.97 3f2n s PHE 594 Cb 0.12 -3.17 0.07 0.00 -0.57 0.00 0.00 43.02 39.47 3f2n s PHE 594 CO 0.18 -0.17 0.93 0.15 -0.10 0.00 0.00 175.22 176.20 3f2n s LYS 595 N -1.36 2.15 0.00 0.44 -0.14 -1.26 -4.39 119.74 115.18 3f2n s LYS 595 Ca 0.43 -0.65 0.16 0.00 -1.36 0.00 0.00 55.97 54.56 3f2n s LYS 595 Cb -0.30 -2.31 0.76 0.00 -1.68 0.00 0.00 37.83 34.30 3f2n s LYS 595 CO 0.38 -1.13 1.50 -0.40 -0.76 0.00 0.00 175.35 174.94 3f2n n ASP 596 N -2.72 0.00 -0.88 2.83 5.75 -1.26 -1.66 116.55 118.62 3f2n n ASP 596 Ca 0.10 0.29 0.12 0.00 -0.01 0.00 0.00 54.79 55.29 3f2n n ASP 596 Cb 0.60 -0.40 0.24 0.00 -1.03 0.00 0.00 41.12 40.53 3f2n n ASP 596 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3f2n n ASP 597 N -1.40 2.69 -4.73 -1.12 5.75 -1.26 -3.32 116.55 113.16 3f2n n ASP 597 Ca 0.06 -1.87 -0.42 0.00 -0.01 0.00 0.00 54.79 52.55 3f2n n ASP 597 Cb 0.16 -0.08 -0.03 0.00 -1.03 0.00 0.00 41.12 40.15 3f2n n ASP 597 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 3f2n s GLN 598 N -1.85 4.23 0.09 0.11 2.00 -0.66 -4.68 119.66 118.90 3f2n s GLN 598 Ca 0.33 2.36 -0.14 0.00 -2.00 0.00 0.00 55.36 55.91 3f2n s GLN 598 Cb 0.21 -3.12 -0.06 0.00 0.80 0.00 0.00 33.01 30.83 3f2n s GLN 598 CO 0.31 -0.52 0.48 -0.51 -0.50 0.00 0.00 175.29 174.55 3f2n s LEU 599 N 0.25 4.40 0.04 3.68 1.43 -1.26 -1.13 118.68 126.08 3f2n s LEU 599 Ca 0.64 1.01 0.02 0.00 -1.03 0.00 0.00 54.13 54.77 3f2n s LEU 599 Cb -0.43 -2.99 -0.02 0.00 0.03 0.00 0.00 46.19 42.77 3f2n s LEU 599 CO 0.39 0.19 -0.08 -0.36 0.23 0.00 0.00 176.35 176.72 3f2n s PHE 600 N -1.31 0.66 -0.14 0.29 0.08 -0.07 -1.32 117.98 116.17 3f2n s PHE 600 Ca 0.32 -0.46 -0.13 0.00 0.12 0.00 0.00 56.93 56.78 3f2n s PHE 600 Cb -0.16 -0.40 -0.05 0.00 -0.57 0.00 0.00 43.02 41.85 3f2n s PHE 600 CO 0.18 -0.08 0.29 0.42 -0.10 0.00 0.00 175.22 175.93 3f2n s ILE 601 N -1.27 5.29 -0.21 0.64 -1.09 0.44 -1.01 121.20 123.99 3f2n s ILE 601 Ca -0.09 0.55 0.01 0.00 -2.23 0.00 0.00 60.65 58.89 3f2n s ILE 601 Cb -0.09 -3.62 0.03 0.00 -1.58 0.00 0.00 42.46 37.20 3f2n s ILE 601 CO 0.00 0.44 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.30 3f2n s VAL 602 N 0.12 2.24 -0.20 2.92 1.01 0.21 -0.83 120.40 125.89 3f2n s VAL 602 Ca 0.17 -1.09 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 3f2n s VAL 602 Cb -0.13 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 3f2n s VAL 602 CO 0.05 0.37 0.02 -0.76 0.00 0.00 0.00 175.10 174.77 3f2n s LEU 603 N 1.26 3.41 -0.25 3.92 1.43 -0.08 -1.21 118.68 127.15 3f2n s LEU 603 Ca 0.01 -0.13 -0.07 0.00 -1.03 0.00 0.00 54.13 52.91 3f2n s LEU 603 Cb -0.15 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 3f2n s LEU 603 CO -0.10 0.09 0.06 -0.70 0.23 0.00 0.00 176.35 175.94 3f2n s GLU 604 N 0.84 3.63 0.11 1.70 2.12 -0.36 -0.77 118.70 125.98 3f2n s GLU 604 Ca 0.01 -0.49 0.05 0.00 0.36 0.00 0.00 54.97 54.90 3f2n s GLU 604 Cb -0.14 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 3f2n s GLU 604 CO 0.02 -0.19 0.02 -0.06 -0.54 0.00 0.00 175.26 174.51 3f2n s PHE 605 N 1.61 3.01 0.32 5.30 0.08 0.67 -0.00 117.98 128.96 3f2n s PHE 605 Ca 0.06 -0.03 -0.28 0.00 0.12 0.00 0.00 56.93 56.80 3f2n s PHE 605 Cb -0.15 -1.52 -0.13 0.00 -0.57 0.00 0.00 43.02 40.65 3f2n s PHE 605 CO 0.03 0.49 1.21 -1.91 -0.10 0.00 0.00 175.22 174.95 3f2n n GLU 606 N 0.34 1.88 -2.53 0.44 2.13 -0.34 -1.42 120.64 121.14 3f2n n GLU 606 Ca -0.10 0.66 -0.43 0.00 0.66 0.00 0.00 57.16 57.95 3f2n n GLU 606 Cb 0.53 -2.18 -0.02 0.00 0.27 0.00 0.00 31.44 30.03 3f2n n GLU 606 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 3f2n s PHE 607 N -1.00 3.05 -1.86 4.31 5.36 -1.23 -4.51 117.98 122.09 3f2n s PHE 607 Ca 0.57 1.19 0.23 0.00 -0.96 0.00 0.00 56.93 57.97 3f2n s PHE 607 Cb -0.62 -3.43 0.11 0.00 -0.34 0.00 0.00 43.02 38.74 3f2n s PHE 607 CO 0.61 -1.18 1.16 0.41 -1.46 0.00 0.00 175.22 174.75 3f2n n GLY 608 N 3.53 -0.21 0.00 13.12 0.00 -1.26 -5.00 105.19 115.37 3f2n n GLY 608 Ca 0.13 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3f2n n GLY 608 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f2n n GLY 609 N 1.42 0.30 3.45 -0.02 0.00 -1.26 -3.98 105.19 105.10 3f2n n GLY 609 Ca 0.09 -1.85 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 3f2n n GLY 609 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f2n s ILE 610 N 0.00 3.05 0.65 -0.61 -1.09 -0.08 -4.80 121.20 118.33 3f2n s ILE 610 Ca 0.00 -0.71 -0.14 0.00 -2.23 0.00 0.00 60.65 57.56 3f2n s ILE 610 Cb 0.00 -2.21 -0.00 0.00 -1.58 0.00 0.00 42.46 38.66 3f2n s ILE 610 CO 0.00 0.58 1.09 1.51 -1.23 0.00 0.00 174.94 176.89 3f2n s ASP 611 N -0.48 5.27 0.26 3.58 1.47 -1.26 -0.48 116.67 125.02 3f2n s ASP 611 Ca 0.06 1.90 -0.05 0.00 1.18 0.00 0.00 52.55 55.64 3f2n s ASP 611 Cb -0.12 -2.54 0.29 0.00 -0.34 0.00 0.00 42.92 40.21 3f2n s ASP 611 CO 0.02 -1.52 1.93 0.25 0.68 0.00 0.00 175.17 176.52 3f2n h LEU 612 N -0.02 1.12 -0.48 2.11 5.85 -0.57 -0.93 115.31 122.39 3f2n h LEU 612 Ca -0.46 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.27 3f2n h LEU 612 Cb 1.23 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.93 3f2n h LEU 612 CO 0.55 0.82 0.20 -0.08 -0.34 0.00 0.00 178.44 179.59 3f2n h GLU 613 N 1.31 0.38 0.00 1.25 4.81 -1.76 -1.20 114.58 119.37 3f2n h GLU 613 Ca 0.35 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.51 3f2n h GLU 613 Cb -0.13 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 3f2n h GLU 613 CO -0.07 0.25 -0.23 1.96 -0.73 0.00 0.00 179.01 180.20 3f2n h GLN 614 N 0.40 0.00 -0.28 1.92 4.20 -1.63 -2.53 115.11 117.19 3f2n h GLN 614 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3f2n h GLN 614 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 3f2n h GLN 614 CO -0.20 0.23 0.00 -1.33 -0.67 0.00 0.00 178.83 176.86 3f2n n MET 615 N -3.47 1.75 0.31 1.46 2.81 -0.45 -4.52 117.12 115.01 3f2n n MET 615 Ca -0.00 -1.15 0.20 0.00 -1.81 0.00 0.00 57.70 54.93 3f2n n MET 615 Cb 0.40 -1.31 1.01 0.00 -0.71 0.00 0.00 33.22 32.62 3f2n n MET 615 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 3f2n h ARG 616 N 2.02 0.00 -0.28 0.03 0.11 -0.80 0.53 114.38 115.98 3f2n h ARG 616 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3f2n h ARG 616 Cb 0.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.53 3f2n h ARG 616 CO 0.00 0.02 0.00 0.25 0.10 0.00 0.00 179.97 180.34 3f2n n THR 617 N -3.24 0.55 0.37 0.08 -2.24 -1.26 -0.72 114.28 107.83 3f2n n THR 617 Ca -0.02 -0.78 0.04 0.00 -2.27 0.00 0.00 64.05 61.02 3f2n n THR 617 Cb 0.14 0.87 -0.00 0.00 -2.10 0.00 0.00 70.33 69.24 3f2n n THR 617 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3f2n n LYS 618 N 0.93 2.32 -2.76 -0.78 4.76 0.17 -4.70 118.16 118.10 3f2n n LYS 618 Ca 0.13 -0.51 -0.34 0.00 -2.87 0.00 0.00 58.31 54.72 3f2n n LYS 618 Cb 0.46 -1.02 -0.06 0.00 -1.84 0.00 0.00 35.03 32.56 3f2n n LYS 618 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3f2n s LEU 619 N -1.56 3.97 -0.01 -0.35 1.43 -1.21 -4.89 118.68 116.05 3f2n s LEU 619 Ca 0.07 1.76 -0.25 0.00 -1.03 0.00 0.00 54.13 54.67 3f2n s LEU 619 Cb 0.07 -4.49 -0.19 0.00 0.03 0.00 0.00 46.19 41.61 3f2n s LEU 619 CO 0.22 -0.41 1.28 -1.28 0.23 0.00 0.00 176.35 176.39 3f2n h SER 620 N 1.98 -0.05 -2.48 2.29 0.87 -1.95 -1.81 113.55 112.40 3f2n h SER 620 Ca -0.49 -0.40 0.02 0.00 -1.23 0.00 0.00 61.79 59.69 3f2n h SER 620 Cb 1.19 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.16 3f2n h SER 620 CO 0.61 0.39 0.30 -1.54 -0.53 0.00 0.00 176.83 176.06 3f2n n SER 621 N -4.91 -1.74 0.29 6.23 3.41 -1.26 -0.71 113.62 114.93 3f2n n SER 621 Ca -0.08 -2.13 0.13 0.00 -0.26 0.00 0.00 58.87 56.53 3f2n n SER 621 Cb 0.23 2.88 0.84 0.00 -0.26 0.00 0.00 64.21 67.90 3f2n n SER 621 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3f2n h LEU 622 N 0.00 0.00 -1.11 1.04 3.38 -1.93 -1.89 115.31 114.79 3f2n h LEU 622 Ca -0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 3f2n h LEU 622 Cb 1.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 3f2n h LEU 622 CO 0.33 0.02 0.33 0.00 0.09 0.00 0.00 178.44 179.21 3f2n h ALA 623 N 1.98 1.31 -0.68 1.53 0.00 -1.95 -0.51 119.26 120.95 3f2n h ALA 623 Ca -0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3f2n h ALA 623 Cb 0.04 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3f2n h ALA 623 CO 0.00 0.54 0.15 1.15 0.00 0.00 0.00 179.25 181.09 3f2n h THR 624 N 0.96 1.26 -0.51 0.00 2.02 -1.73 -1.91 112.91 113.00 3f2n h THR 624 Ca 0.24 -0.97 -0.08 0.00 0.77 0.00 0.00 66.41 66.37 3f2n h THR 624 Cb 0.08 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 3f2n h THR 624 CO -0.03 0.37 0.01 0.00 0.37 0.00 0.00 175.52 176.23 3f2n h ALA 625 N 1.13 1.05 -0.47 6.16 0.00 -1.20 -1.14 119.26 124.78 3f2n h ALA 625 Ca 0.21 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3f2n h ALA 625 Cb 0.38 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3f2n h ALA 625 CO 0.00 0.60 0.11 -0.22 0.00 0.00 0.00 179.25 179.74 3f2n h LYS 626 N 0.80 0.76 -0.26 0.00 3.64 -0.85 -0.47 116.57 120.19 3f2n h LYS 626 Ca 0.15 -0.19 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3f2n h LYS 626 Cb 0.47 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 3f2n h LYS 626 CO 0.02 0.75 0.13 1.03 -2.27 0.00 0.00 179.45 179.11 3f2n h SER 627 N 0.64 0.19 -0.32 4.20 0.87 -0.96 -0.09 113.55 118.08 3f2n h SER 627 Ca 0.15 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.74 3f2n h SER 627 Cb 0.34 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.24 3f2n h SER 627 CO 0.00 0.15 0.16 0.40 -0.53 0.00 0.00 176.83 177.01 3f2n h ILE 628 N 0.27 0.99 -1.00 2.23 2.04 -0.97 0.18 117.51 121.25 3f2n h ILE 628 Ca 0.11 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.87 3f2n h ILE 628 Cb 0.03 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 36.69 3f2n h ILE 628 CO -0.07 0.06 0.66 -0.07 0.00 0.00 0.00 178.15 178.73 3f2n h LEU 629 N 0.33 1.14 -0.43 1.44 3.38 -0.80 -1.01 115.31 119.37 3f2n h LEU 629 Ca 0.13 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 3f2n h LEU 629 Cb 0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3f2n h LEU 629 CO -0.09 0.82 -0.12 -0.74 0.09 0.00 0.00 178.44 178.40 3f2n h HIS 630 N 1.35 0.94 -0.40 1.13 2.76 -0.41 -1.57 115.15 118.95 3f2n h HIS 630 Ca 0.37 -0.21 -0.02 0.00 -2.20 0.00 0.00 60.37 58.31 3f2n h HIS 630 Cb -0.13 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.58 3f2n h HIS 630 CO -0.00 0.95 0.17 1.96 -1.30 0.00 0.00 177.93 179.71 3f2n h GLN 631 N 0.66 0.60 -0.32 5.26 4.20 -0.34 -0.20 115.11 124.98 3f2n h GLN 631 Ca 0.11 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3f2n h GLN 631 Cb 0.66 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 3f2n h GLN 631 CO 0.05 0.56 0.18 -0.07 -0.67 0.00 0.00 178.83 178.87 3f2n h LEU 632 N 0.51 0.40 -0.26 1.46 3.38 -1.10 -0.41 115.31 119.28 3f2n h LEU 632 Ca 0.14 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3f2n h LEU 632 Cb 0.18 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3f2n h LEU 632 CO -0.01 0.37 0.15 0.74 0.09 0.00 0.00 178.44 179.78 3f2n h THR 633 N 0.40 1.11 -0.46 0.22 2.02 -1.13 -1.09 112.91 113.98 3f2n h THR 633 Ca 0.11 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 3f2n h THR 633 Cb 0.06 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 3f2n h THR 633 CO -0.02 0.11 0.28 0.00 0.37 0.00 0.00 175.52 176.26 3f2n h ALA 634 N 1.04 0.59 -0.53 6.16 0.00 -0.90 -0.22 119.26 125.40 3f2n h ALA 634 Ca 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3f2n h ALA 634 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3f2n h ALA 634 CO -0.02 0.08 0.27 0.77 0.00 0.00 0.00 179.25 180.35 3f2n h SER 635 N 0.62 0.69 -0.44 0.00 0.02 -0.84 -0.91 113.55 112.69 3f2n h SER 635 Ca 0.17 -0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 60.91 3f2n h SER 635 Cb -0.01 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 3f2n h SER 635 CO -0.03 0.61 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.16 3f2n h LEU 636 N 0.72 0.84 -0.51 5.07 3.38 -1.01 -1.91 115.31 121.90 3f2n h LEU 636 Ca 0.18 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3f2n h LEU 636 Cb 0.10 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3f2n h LEU 636 CO -0.03 0.93 0.29 0.00 0.09 0.00 0.00 178.44 179.72 3f2n h ALA 637 N 1.16 0.65 -0.68 1.53 0.00 -0.58 0.10 119.26 121.44 3f2n h ALA 637 Ca 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3f2n h ALA 637 Cb 0.53 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3f2n h ALA 637 CO 0.03 0.15 0.38 0.28 0.00 0.00 0.00 179.25 180.09 3f2n h VAL 638 N 0.68 1.21 -0.25 0.00 2.07 -0.91 -0.52 116.25 118.52 3f2n h VAL 638 Ca 0.18 -0.52 -0.13 0.00 0.82 0.00 0.00 66.70 67.05 3f2n h VAL 638 Cb 0.02 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3f2n h VAL 638 CO -0.03 0.23 -0.39 0.00 0.02 0.00 0.00 177.57 177.40 3f2n h ALA 639 N 1.19 0.85 -0.38 1.67 0.00 -1.04 -1.76 119.26 119.78 3f2n h ALA 639 Ca 0.24 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3f2n h ALA 639 Cb 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3f2n h ALA 639 CO -0.04 0.64 0.22 0.93 0.00 0.00 0.00 179.25 181.00 3f2n h GLU 640 N 0.48 0.53 -0.64 0.00 5.08 -0.47 0.41 114.58 119.98 3f2n h GLU 640 Ca 0.04 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3f2n h GLU 640 Cb 0.89 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 3f2n h GLU 640 CO 0.08 0.41 0.23 0.00 -1.00 0.00 0.00 179.01 178.72 3f2n h ALA 641 N 1.09 0.83 0.08 3.43 0.00 -0.91 -1.08 119.26 122.71 3f2n h ALA 641 Ca 0.14 -0.19 -0.30 0.00 0.00 0.00 0.00 54.91 54.55 3f2n h ALA 641 Cb 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3f2n h ALA 641 CO -0.02 0.48 -1.60 0.66 0.00 0.00 0.00 179.25 178.76 3f2n h SER 642 N 0.91 0.28 0.00 0.00 4.64 -1.29 -3.42 113.55 114.66 3f2n h SER 642 Ca 0.21 -0.44 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3f2n h SER 642 Cb 0.25 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3f2n h SER 642 CO -0.01 1.38 0.00 0.18 -0.87 0.00 0.00 176.83 177.50 3f2n n LEU 643 N -3.36 0.33 -3.88 5.97 4.77 0.11 -4.99 117.00 115.95 3f2n n LEU 643 Ca -0.18 -0.33 -0.24 0.00 -0.03 0.00 0.00 56.01 55.23 3f2n n LEU 643 Cb 1.04 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.13 3f2n n LEU 643 CO 0.48 0.08 -0.17 0.54 -1.33 0.00 0.00 177.39 176.99 3f2n n ARG 644 N -0.02 -3.86 -3.07 3.23 1.74 -0.41 -1.09 116.66 113.19 3f2n n ARG 644 Ca 0.00 0.48 -0.39 0.00 -0.77 0.00 0.00 57.85 57.16 3f2n n ARG 644 Cb 0.21 -4.77 -0.05 0.00 -1.02 0.00 0.00 32.46 26.83 3f2n n ARG 644 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3f2n s PHE 645 N -3.84 3.72 -0.08 -1.55 5.36 -1.16 -4.26 117.98 116.17 3f2n s PHE 645 Ca 0.03 1.37 0.04 0.00 -0.96 0.00 0.00 56.93 57.41 3f2n s PHE 645 Cb -0.02 -2.74 0.00 0.00 -0.34 0.00 0.00 43.02 39.92 3f2n s PHE 645 CO 0.86 0.31 -0.20 -1.21 -1.46 0.00 0.00 175.22 173.52 3f2n s GLU 646 N -0.12 2.49 -0.04 10.12 2.02 -0.22 -4.39 118.70 128.56 3f2n s GLU 646 Ca 0.36 -0.73 -0.26 0.00 0.02 0.00 0.00 54.97 54.36 3f2n s GLU 646 Cb -0.20 -1.96 -0.21 0.00 0.10 0.00 0.00 34.13 31.86 3f2n s GLU 646 CO 0.21 0.17 1.19 1.25 0.02 0.00 0.00 175.26 178.09 3f2n h HIS 647 N 6.66 0.02 0.00 1.61 -0.00 -1.92 -1.08 115.15 120.44 3f2n h HIS 647 Ca -0.25 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.11 3f2n h HIS 647 Cb 1.21 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.62 3f2n h HIS 647 CO 0.47 0.59 0.00 0.54 -0.00 0.00 0.00 177.93 179.53 3f2n n ARG 648 N -4.80 0.00 -2.70 5.26 1.74 -1.26 -3.15 116.66 111.75 3f2n n ARG 648 Ca -0.09 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.94 3f2n n ARG 648 Cb 0.30 -3.45 0.10 0.00 -1.02 0.00 0.00 32.46 28.38 3f2n n ARG 648 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3f2n n ASP 649 N 0.00 -0.72 -3.28 0.55 2.03 -1.26 -4.96 116.55 108.91 3f2n n ASP 649 Ca 0.00 -2.41 -0.37 0.00 0.52 0.00 0.00 54.79 52.53 3f2n n ASP 649 Cb 0.00 0.45 -0.01 0.00 -0.72 0.00 0.00 41.12 40.84 3f2n n ASP 649 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 3f2n n LEU 650 N -0.71 7.63 -4.74 -2.67 7.94 -1.26 -4.85 117.00 118.35 3f2n n LEU 650 Ca -0.03 -4.79 -0.29 0.00 -1.11 0.00 0.00 56.01 49.79 3f2n n LEU 650 Cb 0.85 -1.30 0.14 0.00 0.53 0.00 0.00 43.42 43.64 3f2n n LEU 650 CO -0.01 1.99 0.68 -1.38 -1.11 0.00 0.00 177.39 177.56 3f2n s HIS 651 N -1.77 2.40 -1.71 1.96 -3.43 -1.26 -4.85 115.29 106.62 3f2n s HIS 651 Ca 0.53 1.03 0.23 0.00 -0.80 0.00 0.00 55.06 56.05 3f2n s HIS 651 Cb 0.23 -3.26 1.25 0.00 -1.43 0.00 0.00 32.58 29.38 3f2n s HIS 651 CO -0.14 -2.44 1.74 -2.67 -2.00 0.00 0.00 174.74 169.23 3f2n n TRP 652 N -3.86 0.00 0.80 0.38 4.27 -1.26 -0.59 117.44 117.17 3f2n n TRP 652 Ca 0.06 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.80 3f2n n TRP 652 Cb 0.57 -0.14 0.45 0.00 -1.36 0.00 0.00 31.31 30.83 3f2n n TRP 652 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 3f2n n GLY 653 N 0.53 -1.56 1.30 -1.67 0.00 -1.26 -2.39 105.19 100.13 3f2n n GLY 653 Ca 0.14 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.14 3f2n n GLY 653 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3f2n n ASN 654 N -1.88 4.34 -4.15 1.61 3.02 0.24 -4.80 115.26 113.63 3f2n n ASN 654 Ca 0.06 -2.53 -0.34 0.00 -0.03 0.00 0.00 54.58 51.74 3f2n n ASN 654 Cb 0.39 -0.52 -0.15 0.00 -0.61 0.00 0.00 39.78 38.89 3f2n n ASN 654 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3f2n s VAL 655 N -1.98 2.63 0.03 2.41 1.01 -1.25 -1.67 120.40 121.58 3f2n s VAL 655 Ca 0.45 -1.22 0.01 0.00 0.00 0.00 0.00 61.98 61.21 3f2n s VAL 655 Cb 0.30 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 3f2n s VAL 655 CO 0.19 0.13 0.10 -0.76 0.00 0.00 0.00 175.10 174.77 3f2n s LEU 656 N 1.25 3.95 -0.06 3.92 1.43 0.42 -0.53 118.68 129.07 3f2n s LEU 656 Ca -0.02 0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.25 3f2n s LEU 656 Cb -0.18 -2.45 -0.00 0.00 0.03 0.00 0.00 46.19 43.59 3f2n s LEU 656 CO -0.05 0.23 -0.22 -0.76 0.23 0.00 0.00 176.35 175.78 3f2n s LEU 657 N -2.06 2.00 -0.03 1.79 1.43 0.37 -0.31 118.68 121.86 3f2n s LEU 657 Ca 0.27 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 3f2n s LEU 657 Cb -0.12 -1.22 0.01 0.00 0.03 0.00 0.00 46.19 44.89 3f2n s LEU 657 CO 0.19 0.18 -0.06 -0.75 0.23 0.00 0.00 176.35 176.14 3f2n s LYS 658 N 0.07 0.83 0.38 1.70 2.20 -0.67 -0.90 119.74 123.35 3f2n s LYS 658 Ca -0.08 -0.18 -0.28 0.00 -0.36 0.00 0.00 55.97 55.07 3f2n s LYS 658 Cb -0.14 -0.81 -0.11 0.00 -1.51 0.00 0.00 37.83 35.26 3f2n s LYS 658 CO 0.04 0.01 1.48 1.63 -0.36 0.00 0.00 175.35 178.15 3f2n n LYS 659 N 3.66 2.65 -4.00 4.03 4.01 -1.26 -0.17 118.16 127.07 3f2n n LYS 659 Ca -0.22 0.93 -0.12 0.00 -0.51 0.00 0.00 58.31 58.40 3f2n n LYS 659 Cb 0.53 -2.65 -0.12 0.00 -0.51 0.00 0.00 35.03 32.27 3f2n n LYS 659 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 3f2n s THR 660 N -1.12 0.24 -1.60 -0.18 -1.32 -0.45 -4.78 115.64 106.43 3f2n s THR 660 Ca 0.53 -0.69 0.27 0.00 -1.21 0.00 0.00 61.69 60.60 3f2n s THR 660 Cb -0.48 -0.31 0.30 0.00 -1.51 0.00 0.00 72.50 70.49 3f2n s THR 660 CO 0.64 -0.29 1.66 -1.54 -2.21 0.00 0.00 174.62 172.87 3f2n n SER 661 N 2.03 0.74 -4.73 8.08 3.41 -1.26 -4.48 113.62 117.40 3f2n n SER 661 Ca -0.20 -0.65 -0.42 0.00 -0.26 0.00 0.00 58.87 57.34 3f2n n SER 661 Cb 0.56 0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.54 3f2n n SER 661 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3f2n s LEU 662 N -2.57 4.38 0.08 1.04 1.43 -1.26 -4.92 118.68 116.86 3f2n s LEU 662 Ca 0.24 2.61 -0.00 0.00 -1.03 0.00 0.00 54.13 55.95 3f2n s LEU 662 Cb 0.19 -3.61 -0.26 0.00 0.03 0.00 0.00 46.19 42.55 3f2n s LEU 662 CO 0.53 -0.75 1.15 0.11 0.23 0.00 0.00 176.35 177.61 3f2n h LYS 663 N 5.99 0.17 -5.33 1.70 1.57 -1.96 -3.41 116.57 115.31 3f2n h LYS 663 Ca -0.44 -0.30 -0.48 0.00 -1.87 0.00 0.00 60.65 57.56 3f2n h LYS 663 Cb 1.21 0.11 -0.28 0.00 0.08 0.00 0.00 32.23 33.35 3f2n h LYS 663 CO 0.85 1.12 -0.81 0.15 -0.57 0.00 0.00 179.45 180.19 3f2n s LYS 664 N -2.67 1.10 0.10 3.15 1.02 -1.26 -0.85 119.74 120.33 3f2n s LYS 664 Ca -0.03 -0.58 0.05 0.00 0.02 0.00 0.00 55.97 55.43 3f2n s LYS 664 Cb 0.08 -1.08 -0.04 0.00 -0.52 0.00 0.00 37.83 36.27 3f2n s LYS 664 CO 0.86 0.29 0.01 -0.51 -0.92 0.00 0.00 175.35 175.07 3f2n s LEU 665 N -0.56 3.47 -0.01 3.17 1.43 0.49 -4.87 118.68 121.80 3f2n s LEU 665 Ca 0.05 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 3f2n s LEU 665 Cb -0.06 -2.19 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 3f2n s LEU 665 CO -0.00 0.17 -0.10 -1.00 0.23 0.00 0.00 176.35 175.64 3f2n s HIS 666 N -1.35 2.80 0.06 0.29 3.76 -1.26 -0.77 115.29 118.81 3f2n s HIS 666 Ca 0.26 -0.09 -0.03 0.00 -0.15 0.00 0.00 55.06 55.04 3f2n s HIS 666 Cb -0.11 -1.60 -0.03 0.00 1.11 0.00 0.00 32.58 31.95 3f2n s HIS 666 CO 0.19 0.31 0.04 1.52 -0.85 0.00 0.00 174.74 175.95 3f2n s TYR 667 N -0.91 0.38 -0.07 1.40 1.13 -0.81 -4.62 117.35 113.84 3f2n s TYR 667 Ca 0.15 -0.86 0.02 0.00 -1.41 0.00 0.00 57.07 54.98 3f2n s TYR 667 Cb -0.11 -0.27 0.01 0.00 -1.10 0.00 0.00 41.96 40.50 3f2n s TYR 667 CO 0.05 -0.41 -0.14 0.99 -2.51 0.00 0.00 175.55 173.53 3f2n s THR 668 N -3.66 1.29 -0.18 -3.49 2.01 -0.28 -0.97 115.64 110.37 3f2n s THR 668 Ca 0.04 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.49 3f2n s THR 668 Cb 0.05 -1.17 0.03 0.00 0.01 0.00 0.00 72.50 71.42 3f2n s THR 668 CO -0.09 0.39 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.85 3f2n s LEU 669 N 0.65 2.12 -1.46 4.42 2.96 -0.05 -1.10 118.68 126.22 3f2n s LEU 669 Ca -0.14 -0.69 -0.03 0.00 -0.22 0.00 0.00 54.13 53.05 3f2n s LEU 669 Cb -0.16 -1.36 0.00 0.00 0.50 0.00 0.00 46.19 45.17 3f2n s LEU 669 CO 0.04 -0.05 0.05 0.59 -1.32 0.00 0.00 176.35 175.66 3f2n n ASN 670 N 4.66 0.53 0.00 3.68 3.02 -0.79 -1.36 115.26 125.00 3f2n n ASN 670 Ca -0.18 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.14 3f2n n ASN 670 Cb 0.49 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.14 3f2n n ASN 670 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f2n n GLY 671 N -2.49 1.74 3.54 7.41 0.00 0.36 -5.02 105.19 110.73 3f2n n GLY 671 Ca -0.30 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 3f2n n GLY 671 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3f2n s LYS 672 N -0.35 3.82 -0.05 1.61 2.20 -0.46 -5.04 119.74 121.48 3f2n s LYS 672 Ca 0.00 -0.40 -0.15 0.00 -0.36 0.00 0.00 55.97 55.06 3f2n s LYS 672 Cb 0.00 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.89 3f2n s LYS 672 CO 0.00 -0.05 0.41 -1.12 -0.36 0.00 0.00 175.35 174.23 3f2n s SER 673 N 1.29 6.74 0.26 1.43 0.01 -1.26 -0.87 113.70 121.30 3f2n s SER 673 Ca 0.05 0.88 0.01 0.00 1.31 0.00 0.00 55.95 58.21 3f2n s SER 673 Cb -0.15 -2.25 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 3f2n s SER 673 CO 0.05 0.22 0.12 -0.44 0.41 0.00 0.00 173.24 173.60 3f2n s SER 674 N -0.49 1.09 0.18 2.44 0.01 -0.14 -5.00 113.70 111.79 3f2n s SER 674 Ca 0.23 -1.44 0.07 0.00 1.31 0.00 0.00 55.95 56.13 3f2n s SER 674 Cb -0.16 0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.30 3f2n s SER 674 CO 0.12 -0.80 -0.15 0.42 0.41 0.00 0.00 173.24 173.24 3f2n s THR 675 N -3.79 1.66 -0.06 1.44 -4.23 -1.26 -1.92 115.64 107.47 3f2n s THR 675 Ca 0.37 -2.08 0.01 0.00 -1.18 0.00 0.00 61.69 58.81 3f2n s THR 675 Cb 0.07 -1.93 0.02 0.00 1.34 0.00 0.00 72.50 72.00 3f2n s THR 675 CO 0.15 -0.53 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.01 3f2n s ILE 676 N -2.73 0.66 0.18 2.99 1.01 0.05 -4.93 121.20 118.44 3f2n s ILE 676 Ca 0.19 -0.15 -0.32 0.00 0.00 0.00 0.00 60.65 60.37 3f2n s ILE 676 Cb -0.02 -0.69 -0.11 0.00 0.01 0.00 0.00 42.46 41.65 3f2n s ILE 676 CO 0.06 0.27 1.64 -2.84 0.00 0.00 0.00 174.94 174.06 3f2n s PRO 677 N 1.16 4.18 0.30 2.79 0.02 -1.26 -0.38 135.00 141.80 3f2n s PRO 677 Ca -0.07 2.47 0.16 0.00 0.02 0.00 0.00 61.00 63.58 3f2n s PRO 677 Cb -0.14 -3.12 0.23 0.00 0.02 0.00 0.00 34.50 31.49 3f2n s PRO 677 CO -0.01 -0.67 1.52 0.66 -0.33 0.00 0.00 177.00 178.17 3f2n h SER 678 N 6.79 0.00 -4.27 2.53 4.64 -1.26 -3.45 113.55 118.53 3f2n h SER 678 Ca -0.43 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.64 3f2n h SER 678 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 3f2n h SER 678 CO 0.93 0.48 -0.34 0.00 -0.87 0.00 0.00 176.83 177.03 3f2n n GLY 680 N -0.87 0.48 2.99 0.00 0.00 -1.26 -4.98 105.19 101.55 3f2n n GLY 680 Ca -0.11 -0.31 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 3f2n n GLY 680 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f2n s LEU 681 N -0.12 1.77 -0.22 0.99 1.43 -0.69 -1.34 118.68 120.49 3f2n s LEU 681 Ca 0.00 -0.18 -0.08 0.00 -1.03 0.00 0.00 54.13 52.84 3f2n s LEU 681 Cb 0.00 -0.53 -0.04 0.00 0.03 0.00 0.00 46.19 45.65 3f2n s LEU 681 CO 0.00 0.06 0.10 -1.58 0.23 0.00 0.00 176.35 175.16 3f2n s GLN 682 N 0.22 3.91 -0.04 1.70 2.00 0.76 -4.79 119.66 123.42 3f2n s GLN 682 Ca -0.03 -0.36 -0.15 0.00 -2.00 0.00 0.00 55.36 52.81 3f2n s GLN 682 Cb -0.09 -3.36 -0.05 0.00 0.80 0.00 0.00 33.01 30.31 3f2n s GLN 682 CO 0.00 0.05 0.40 0.08 -0.50 0.00 0.00 175.29 175.33 3f2n s VAL 683 N 1.01 5.09 -0.09 1.34 1.01 -1.26 -1.66 120.40 125.84 3f2n s VAL 683 Ca 0.05 0.81 0.03 0.00 0.00 0.00 0.00 61.98 62.87 3f2n s VAL 683 Cb -0.14 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.54 3f2n s VAL 683 CO 0.03 0.52 -0.17 -0.44 0.00 0.00 0.00 175.10 175.04 3f2n s SER 684 N -0.66 2.46 -0.10 3.32 0.01 0.58 -4.44 113.70 114.87 3f2n s SER 684 Ca 0.23 -0.44 -0.20 0.00 1.31 0.00 0.00 55.95 56.86 3f2n s SER 684 Cb -0.16 -1.12 -0.04 0.00 0.21 0.00 0.00 66.02 64.91 3f2n s SER 684 CO 0.12 0.07 0.54 -0.63 0.41 0.00 0.00 173.24 173.74 3f2n s ILE 685 N 0.68 5.14 0.27 1.44 1.01 0.33 -0.43 121.20 129.63 3f2n s ILE 685 Ca -0.13 1.09 0.02 0.00 0.00 0.00 0.00 60.65 61.63 3f2n s ILE 685 Cb -0.16 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 38.38 3f2n s ILE 685 CO 0.03 0.31 0.07 0.27 0.00 0.00 0.00 174.94 175.63 3f2n s ILE 686 N 0.62 0.79 -0.09 2.92 -4.36 -0.67 -3.91 121.20 116.50 3f2n s ILE 686 Ca 0.29 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.67 3f2n s ILE 686 Cb -0.16 -2.62 0.00 0.00 1.25 0.00 0.00 42.46 40.94 3f2n s ILE 686 CO 0.13 -0.07 0.04 -0.67 0.24 0.00 0.00 174.94 174.61 3f2n n ASP 687 N -0.51 -3.64 -1.95 4.36 2.03 -1.26 -4.84 116.55 110.74 3f2n n ASP 687 Ca -0.02 0.34 -0.08 0.00 0.52 0.00 0.00 54.79 55.55 3f2n n ASP 687 Cb 0.66 -2.19 0.26 0.00 -0.72 0.00 0.00 41.12 39.13 3f2n n ASP 687 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 3f2n n TYR 688 N 0.04 2.36 -0.10 -0.67 4.01 -1.26 -4.66 117.16 116.89 3f2n n TYR 688 Ca 0.01 -1.21 0.09 0.00 -0.16 0.00 0.00 57.90 56.63 3f2n n TYR 688 Cb 0.03 -0.69 0.45 0.00 -0.31 0.00 0.00 39.34 38.82 3f2n n TYR 688 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3f2n h THR 689 N 2.23 0.95 -0.27 -0.72 2.02 -1.93 -2.41 112.91 112.78 3f2n h THR 689 Ca 0.30 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.30 3f2n h THR 689 Cb 2.29 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 3f2n h THR 689 CO 0.74 0.10 0.00 0.18 0.37 0.00 0.00 175.52 176.90 3f2n n LEU 690 N -4.48 2.94 -4.90 2.58 4.77 -1.26 -4.72 117.00 111.93 3f2n n LEU 690 Ca 0.09 -1.46 -0.29 0.00 -0.03 0.00 0.00 56.01 54.32 3f2n n LEU 690 Cb 0.30 -0.17 0.09 0.00 -2.33 0.00 0.00 43.42 41.30 3f2n n LEU 690 CO 0.34 0.64 0.78 -0.44 -1.33 0.00 0.00 177.39 177.37 3f2n s SER 691 N -1.26 4.56 -0.03 -1.43 0.01 -0.91 -4.42 113.70 110.22 3f2n s SER 691 Ca 0.28 0.77 -0.05 0.00 1.31 0.00 0.00 55.95 58.27 3f2n s SER 691 Cb 0.17 -1.29 0.01 0.00 0.21 0.00 0.00 66.02 65.12 3f2n s SER 691 CO 0.24 -1.86 0.11 -0.60 0.41 0.00 0.00 173.24 171.53 3f2n s ARG 692 N -5.55 0.24 0.38 12.44 3.00 -0.41 -3.33 118.95 125.72 3f2n s ARG 692 Ca 0.62 -0.04 -0.16 0.00 -1.00 0.00 0.00 55.73 55.15 3f2n s ARG 692 Cb -0.11 0.10 0.06 0.00 0.00 0.00 0.00 34.95 35.00 3f2n s ARG 692 CO 0.49 -0.04 0.81 -0.48 0.00 0.00 0.00 175.30 176.08 3f2n s LEU 693 N -0.42 0.03 -0.03 -0.88 0.05 -0.48 -1.06 118.68 115.90 3f2n s LEU 693 Ca -0.05 -1.17 -0.20 0.00 0.05 0.00 0.00 54.13 52.76 3f2n s LEU 693 Cb -0.03 2.81 0.04 0.00 -2.05 0.00 0.00 46.19 46.96 3f2n s LEU 693 CO 0.00 -1.68 0.44 -1.83 -0.55 0.00 0.00 176.35 172.73 3f2n s GLU 694 N -2.15 0.80 -0.02 1.48 -1.05 -0.25 -0.32 118.70 117.19 3f2n s GLU 694 Ca 0.16 -0.03 0.00 0.00 -0.15 0.00 0.00 54.97 54.96 3f2n s GLU 694 Cb -0.05 0.37 0.03 0.00 -0.44 0.00 0.00 34.13 34.03 3f2n s GLU 694 CO 0.11 -0.23 0.01 1.03 0.95 0.00 0.00 175.26 177.13 3f2n s ARG 695 N -1.27 0.15 -1.45 -4.83 0.52 -0.89 -4.52 118.95 106.67 3f2n s ARG 695 Ca -0.13 0.11 -0.06 0.00 -0.52 0.00 0.00 55.73 55.13 3f2n s ARG 695 Cb -0.03 -0.35 0.03 0.00 0.52 0.00 0.00 34.95 35.11 3f2n s ARG 695 CO 0.06 -0.13 0.55 -0.25 0.02 0.00 0.00 175.30 175.55 3f2n n ASP 696 N 4.04 -5.24 0.00 0.23 8.00 -1.26 -1.32 116.55 121.00 3f2n n ASP 696 Ca -0.26 -0.31 0.00 0.00 0.71 0.00 0.00 54.79 54.93 3f2n n ASP 696 Cb 0.51 -4.26 0.00 0.00 -0.02 0.00 0.00 41.12 37.35 3f2n n ASP 696 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3f2n n GLY 697 N -1.38 0.63 3.52 0.44 0.00 -1.26 -5.01 105.19 102.13 3f2n n GLY 697 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 3f2n n GLY 697 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f2n s ILE 698 N -2.67 5.21 -0.05 -0.61 -1.09 -0.44 -5.07 121.20 116.48 3f2n s ILE 698 Ca 0.00 -0.19 -0.16 0.00 -2.23 0.00 0.00 60.65 58.07 3f2n s ILE 698 Cb 0.00 -3.83 -0.05 0.00 -1.58 0.00 0.00 42.46 36.99 3f2n s ILE 698 CO 0.00 -0.14 0.41 -0.69 -1.23 0.00 0.00 174.94 173.29 3f2n s VAL 699 N 1.89 5.11 -0.12 2.92 1.01 -1.26 -2.09 120.40 127.86 3f2n s VAL 699 Ca 0.09 0.84 0.03 0.00 0.00 0.00 0.00 61.98 62.94 3f2n s VAL 699 Cb -0.17 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.48 3f2n s VAL 699 CO 0.11 0.48 -0.23 -0.69 0.00 0.00 0.00 175.10 174.77 3f2n s VAL 700 N -0.39 2.07 0.27 2.92 1.01 0.56 -4.99 120.40 121.86 3f2n s VAL 700 Ca 0.23 -1.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.00 3f2n s VAL 700 Cb -0.16 -1.80 0.03 0.00 0.00 0.00 0.00 36.38 34.45 3f2n s VAL 700 CO 0.11 0.56 0.77 0.72 0.00 0.00 0.00 175.10 177.26 3f2n s PHE 701 N 0.53 -0.15 -0.35 5.22 -0.71 -1.26 -1.38 117.98 119.88 3f2n s PHE 701 Ca -0.14 -0.31 -0.11 0.00 -1.04 0.00 0.00 56.93 55.33 3f2n s PHE 701 Cb -0.17 0.71 0.01 0.00 -1.21 0.00 0.00 43.02 42.37 3f2n s PHE 701 CO 0.05 -1.20 0.19 0.00 -1.34 0.00 0.00 175.22 172.92 3f2n s ASP 703 N 1.58 6.18 -0.13 0.00 -1.08 -1.26 -4.82 116.67 117.13 3f2n s ASP 703 Ca 0.03 -0.66 0.17 0.00 -0.52 0.00 0.00 52.55 51.58 3f2n s ASP 703 Cb -0.18 -2.52 0.73 0.00 -1.46 0.00 0.00 42.92 39.49 3f2n s ASP 703 CO 0.07 -1.70 1.63 1.33 0.52 0.00 0.00 175.17 177.01 3f2n n VAL 704 N 6.25 1.94 0.30 1.11 0.24 -1.26 -4.64 118.33 122.27 3f2n n VAL 704 Ca 0.02 -1.18 0.16 0.00 -2.04 0.00 0.00 64.34 61.29 3f2n n VAL 704 Cb 0.48 0.04 0.92 0.00 -1.47 0.00 0.00 33.84 33.81 3f2n n VAL 704 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3f2n h SER 705 N 4.00 0.00 -0.54 -1.34 4.64 -1.88 -0.64 113.55 117.80 3f2n h SER 705 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3f2n h SER 705 Cb 1.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 3f2n h SER 705 CO 0.27 0.03 0.00 0.23 -0.87 0.00 0.00 176.83 176.49 3f2n n MET 706 N -3.65 2.75 -2.95 4.77 2.81 -1.26 -4.95 117.12 114.64 3f2n n MET 706 Ca -0.03 -2.36 -0.41 0.00 -1.81 0.00 0.00 57.70 53.09 3f2n n MET 706 Cb 0.12 -1.43 -0.05 0.00 -0.71 0.00 0.00 33.22 31.15 3f2n n MET 706 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3f2n s ASP 707 N -1.02 6.81 -0.17 7.83 -1.08 -0.25 -4.92 116.67 123.87 3f2n s ASP 707 Ca 0.37 1.00 -0.24 0.00 -0.52 0.00 0.00 52.55 53.15 3f2n s ASP 707 Cb 0.19 -2.42 -0.23 0.00 -1.46 0.00 0.00 42.92 39.01 3f2n s ASP 707 CO 0.25 -0.44 0.47 1.05 0.52 0.00 0.00 175.17 177.03 3f2n h GLU 708 N 7.60 0.02 -0.25 4.34 -0.00 -1.92 -3.41 114.58 120.95 3f2n h GLU 708 Ca -0.26 -0.03 -0.05 0.00 -0.00 0.00 0.00 59.36 59.02 3f2n h GLU 708 Cb 1.11 0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 29.86 3f2n h GLU 708 CO 0.84 1.01 -0.06 -0.44 -0.00 0.00 0.00 179.01 180.36 3f2n h ASP 709 N -0.96 0.37 -0.41 3.06 3.32 -1.98 -1.73 116.42 118.09 3f2n h ASP 709 Ca -0.20 -0.07 0.11 0.00 0.02 0.00 0.00 57.03 56.88 3f2n h ASP 709 Cb 1.20 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 3f2n h ASP 709 CO -0.10 0.49 0.29 0.25 -1.72 0.00 0.00 179.24 178.44 3f2n h LEU 710 N 0.38 0.06 -2.19 1.55 5.85 -1.97 -2.46 115.31 116.52 3f2n h LEU 710 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3f2n h LEU 710 Cb 0.35 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.37 3f2n h LEU 710 CO 0.02 0.04 0.00 0.49 -0.34 0.00 0.00 178.44 178.64 3f2n n PHE 711 N -4.43 0.54 -1.14 1.25 3.72 -0.65 -4.38 117.46 112.36 3f2n n PHE 711 Ca 0.07 -0.27 0.09 0.00 -0.05 0.00 0.00 57.45 57.29 3f2n n PHE 711 Cb 0.44 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 39.13 3f2n n PHE 711 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3f2n n THR 712 N 1.34 1.92 -1.57 4.37 -2.24 -0.93 -4.78 114.28 112.40 3f2n n THR 712 Ca 0.20 -2.38 -0.30 0.00 -2.27 0.00 0.00 64.05 59.29 3f2n n THR 712 Cb 0.57 -0.24 0.07 0.00 -2.10 0.00 0.00 70.33 68.63 3f2n n THR 712 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3f2n s GLY 713 N -2.92 1.64 0.34 3.38 0.00 -1.25 -5.09 107.32 103.42 3f2n s GLY 713 Ca 0.33 -0.10 -0.13 0.00 0.00 0.00 0.00 44.72 44.82 3f2n s GLY 713 CO 0.02 0.28 0.66 0.51 0.00 0.00 0.00 173.10 174.57 3f2n s ASP 714 N -3.88 0.18 0.00 1.64 1.47 -1.26 -4.77 116.67 110.05 3f2n s ASP 714 Ca 0.60 -1.13 0.00 0.00 1.18 0.00 0.00 52.55 53.20 3f2n s ASP 714 Cb -0.14 0.75 0.00 0.00 -0.34 0.00 0.00 42.92 43.19 3f2n s ASP 714 CO 0.54 -1.48 0.00 0.61 0.68 0.00 0.00 175.17 175.53 3f2n n GLY 715 N -0.51 0.30 3.50 2.12 0.00 -1.26 -4.97 105.19 104.37 3f2n n GLY 715 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 3f2n n GLY 715 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3f2n s ASP 716 N -2.29 -0.61 0.61 1.61 -1.08 -1.26 -5.02 116.67 108.63 3f2n s ASP 716 Ca 0.00 1.03 0.32 0.00 -0.52 0.00 0.00 52.55 53.38 3f2n s ASP 716 Cb 0.00 1.02 1.84 0.00 -1.46 0.00 0.00 42.92 44.32 3f2n s ASP 716 CO 0.00 -0.33 2.16 0.22 0.52 0.00 0.00 175.17 177.75 3f2n h TYR 717 N 4.55 0.00 -0.88 -5.34 3.20 -1.99 -1.98 116.97 114.53 3f2n h TYR 717 Ca -0.28 0.00 0.23 0.00 3.14 0.00 0.00 58.73 61.82 3f2n h TYR 717 Cb 1.16 0.00 -0.15 0.00 1.54 0.00 0.00 36.73 39.28 3f2n h TYR 717 CO 0.40 0.00 0.15 0.37 -1.64 0.00 0.00 178.16 177.44 3f2n h GLN 718 N 0.00 0.14 0.00 1.82 4.15 -1.96 -1.19 115.11 118.07 3f2n h GLN 718 Ca 0.04 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 3f2n h GLN 718 Cb 0.33 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.98 3f2n h GLN 718 CO -0.00 0.09 -0.15 0.74 -1.93 0.00 0.00 178.83 177.58 3f2n h PHE 719 N 0.14 0.00 -0.38 3.99 0.04 -1.69 -2.48 116.94 116.56 3f2n h PHE 719 Ca 0.54 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 61.20 3f2n h PHE 719 Cb 1.07 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.21 3f2n h PHE 719 CO -0.34 0.15 -0.20 -0.44 -0.60 0.00 0.00 178.31 176.88 3f2n h ASP 720 N 0.00 0.75 -0.84 2.17 3.32 -1.34 -3.22 116.42 117.25 3f2n h ASP 720 Ca -0.00 -0.26 0.04 0.00 0.02 0.00 0.00 57.03 56.83 3f2n h ASP 720 Cb 1.05 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.34 3f2n h ASP 720 CO 0.02 0.94 0.54 0.40 -1.72 0.00 0.00 179.24 179.42 3f2n h ILE 721 N 0.65 1.12 -0.75 0.35 1.08 -1.03 0.18 117.51 119.11 3f2n h ILE 721 Ca 0.10 -0.36 0.02 0.00 -0.39 0.00 0.00 64.86 64.23 3f2n h ILE 721 Cb 0.69 -0.01 -0.04 0.00 -3.07 0.00 0.00 36.82 34.39 3f2n h ILE 721 CO 0.05 0.19 0.48 1.88 -0.69 0.00 0.00 178.15 180.06 3f2n h TYR 722 N 1.04 0.91 -0.42 1.37 0.05 -1.59 0.14 116.97 118.47 3f2n h TYR 722 Ca 0.34 0.02 -0.12 0.00 0.05 0.00 0.00 58.73 59.02 3f2n h TYR 722 Cb 0.03 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.46 3f2n h TYR 722 CO -0.02 0.54 -0.23 0.00 -1.05 0.00 0.00 178.16 177.39 3f2n h ARG 723 N 0.96 0.85 -0.30 4.88 3.08 -1.30 -2.54 114.38 119.99 3f2n h ARG 723 Ca 0.29 -0.35 -0.12 0.00 0.07 0.00 0.00 59.98 59.87 3f2n h ARG 723 Cb -0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3f2n h ARG 723 CO -0.09 0.99 -0.30 -0.07 -1.07 0.00 0.00 179.97 179.43 3f2n h LEU 724 N 0.73 0.65 -0.25 3.04 3.38 -0.10 -1.13 115.31 121.63 3f2n h LEU 724 Ca 0.10 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3f2n h LEU 724 Cb 0.76 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3f2n h LEU 724 CO 0.06 0.91 0.15 0.24 0.09 0.00 0.00 178.44 179.89 3f2n h MET 725 N 0.54 0.34 -0.78 1.13 2.86 -0.63 -1.66 114.93 116.72 3f2n h MET 725 Ca 0.07 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3f2n h MET 725 Cb 0.78 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.33 3f2n h MET 725 CO 0.06 0.28 0.49 -0.22 1.06 0.00 0.00 176.91 178.58 3f2n h LYS 726 N 0.30 1.04 -0.31 1.72 3.64 -1.25 -0.60 116.57 121.12 3f2n h LYS 726 Ca 0.09 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3f2n h LYS 726 Cb 0.03 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 3f2n h LYS 726 CO -0.02 0.71 0.15 -0.22 -2.27 0.00 0.00 179.45 177.81 3f2n h LYS 727 N 1.07 0.44 -0.66 1.90 3.64 -1.04 -0.36 116.57 121.56 3f2n h LYS 727 Ca 0.28 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 3f2n h LYS 727 Cb -0.08 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 3f2n h LYS 727 CO -0.06 0.42 0.27 1.49 -2.27 0.00 0.00 179.45 179.30 3f2n h GLU 728 N 0.36 0.97 -0.05 1.90 4.57 -0.50 -3.22 114.58 118.61 3f2n h GLU 728 Ca 0.11 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3f2n h GLU 728 Cb 0.12 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 3f2n h GLU 728 CO -0.01 0.78 0.00 0.27 -1.18 0.00 0.00 179.01 178.87 3f2n n ASN 729 N -4.31 2.58 -2.54 1.04 0.23 -0.31 -4.98 115.26 106.98 3f2n n ASN 729 Ca 0.06 -1.78 -0.21 0.00 -0.53 0.00 0.00 54.58 52.12 3f2n n ASN 729 Cb 0.17 -0.02 -0.00 0.00 -2.08 0.00 0.00 39.78 37.85 3f2n n ASN 729 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3f2n n ASN 730 N 1.05 -5.96 -1.50 0.53 3.02 -0.16 -1.26 115.26 110.97 3f2n n ASN 730 Ca 0.11 -0.07 -0.17 0.00 -0.03 0.00 0.00 54.58 54.42 3f2n n ASN 730 Cb 0.47 -4.93 -0.05 0.00 -0.61 0.00 0.00 39.78 34.65 3f2n n ASN 730 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3f2n n ASN 731 N -2.13 -4.99 -4.19 6.41 5.15 -1.11 -4.97 115.26 109.43 3f2n n ASN 731 Ca -0.22 0.26 -0.40 0.00 -0.60 0.00 0.00 54.58 53.62 3f2n n ASN 731 Cb 0.67 -4.00 -0.08 0.00 -0.53 0.00 0.00 39.78 35.84 3f2n n ASN 731 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3f2n s ARG 732 N -3.91 2.69 0.05 1.20 0.52 -0.39 -4.72 118.95 114.39 3f2n s ARG 732 Ca 0.00 -2.13 0.28 0.00 -0.52 0.00 0.00 55.73 53.36 3f2n s ARG 732 Cb 0.00 -3.94 1.06 0.00 0.52 0.00 0.00 34.95 32.59 3f2n s ARG 732 CO 0.00 -1.20 1.84 0.91 0.02 0.00 0.00 175.30 176.87 3f2n n TRP 733 N 4.29 0.23 0.18 -0.53 7.02 -1.26 -2.88 117.44 124.49 3f2n n TRP 733 Ca 0.01 0.07 0.06 0.00 -1.02 0.00 0.00 57.50 56.62 3f2n n TRP 733 Cb 0.41 -0.59 0.20 0.00 -2.42 0.00 0.00 31.31 28.91 3f2n n TRP 733 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 3f2n h GLY 734 N 4.87 0.00 -1.10 6.99 0.00 -1.93 -3.46 103.07 108.45 3f2n h GLY 734 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 3f2n h GLY 734 CO 0.00 0.00 0.30 -0.54 0.00 0.00 0.00 176.54 176.30 3f2n s GLU 735 N -3.25 1.78 -0.38 4.80 2.02 -1.14 -5.00 118.70 117.53 3f2n s GLU 735 Ca 0.03 0.76 -0.15 0.00 0.02 0.00 0.00 54.97 55.63 3f2n s GLU 735 Cb 0.08 -1.87 0.00 0.00 0.10 0.00 0.00 34.13 32.44 3f2n s GLU 735 CO 0.70 -1.87 0.34 -0.47 0.02 0.00 0.00 175.26 173.98 3f2n s TYR 736 N -3.04 3.21 -0.51 1.61 5.04 -1.26 -5.01 117.35 117.39 3f2n s TYR 736 Ca 0.62 -0.28 0.04 0.00 -2.44 0.00 0.00 57.07 55.01 3f2n s TYR 736 Cb -0.16 -2.67 0.16 0.00 0.35 0.00 0.00 41.96 39.64 3f2n s TYR 736 CO 0.55 -0.52 0.36 -1.01 -1.34 0.00 0.00 175.55 173.60 3f2n s HIS 737 N 1.91 2.11 -1.33 4.97 3.76 -1.26 -4.97 115.29 120.48 3f2n s HIS 737 Ca 0.09 -2.66 0.13 0.00 -0.15 0.00 0.00 55.06 52.47 3f2n s HIS 737 Cb -0.17 -1.74 0.65 0.00 1.11 0.00 0.00 32.58 32.42 3f2n s HIS 737 CO 0.12 -0.72 1.36 -0.35 -0.85 0.00 0.00 174.74 174.29 3f2n n PRO 738 N 2.77 0.15 0.28 8.40 -0.04 -1.26 -1.28 135.00 144.01 3f2n n PRO 738 Ca 0.21 0.19 0.17 0.00 -0.04 0.00 0.00 63.50 64.02 3f2n n PRO 738 Cb 0.40 -1.50 0.92 0.00 -0.04 0.00 0.00 33.50 33.28 3f2n n PRO 738 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3f2n h TYR 739 N 0.00 0.00 -0.71 0.54 3.20 -1.86 -0.85 116.97 117.29 3f2n h TYR 739 Ca 0.00 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.92 3f2n h TYR 739 Cb 0.15 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 3f2n h TYR 739 CO 0.00 0.00 0.47 0.66 -1.64 0.00 0.00 178.16 177.65 3f2n h SER 740 N 0.00 0.69 -0.62 -2.11 4.64 -1.52 -1.89 113.55 112.74 3f2n h SER 740 Ca 0.03 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 3f2n h SER 740 Cb 0.17 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 3f2n h SER 740 CO -0.00 0.46 0.29 0.78 -0.87 0.00 0.00 176.83 177.48 3f2n h ASN 741 N 0.79 0.85 -0.43 4.97 2.35 -1.37 -2.01 115.58 120.73 3f2n h ASN 741 Ca 0.30 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 3f2n h ASN 741 Cb 0.17 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3f2n h ASN 741 CO -0.09 0.74 0.22 0.58 -1.65 0.00 0.00 177.43 177.23 3f2n h VAL 742 N 0.93 1.17 -0.46 2.81 2.07 -1.38 -0.80 116.25 120.58 3f2n h VAL 742 Ca 0.22 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.31 3f2n h VAL 742 Cb 0.14 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 3f2n h VAL 742 CO -0.02 0.18 0.25 -0.07 0.02 0.00 0.00 177.57 177.92 3f2n h LEU 743 N 0.55 0.37 -0.53 2.57 3.38 -1.06 0.63 115.31 121.22 3f2n h LEU 743 Ca 0.15 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 3f2n h LEU 743 Cb 0.09 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3f2n h LEU 743 CO -0.02 0.26 -0.03 -0.50 0.09 0.00 0.00 178.44 178.24 3f2n h TRP 744 N 0.49 1.05 -0.76 1.13 4.06 -1.19 -0.40 115.95 120.34 3f2n h TRP 744 Ca 0.20 -0.19 0.04 0.00 2.06 0.00 0.00 58.89 60.99 3f2n h TRP 744 Cb 0.08 -0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 27.92 3f2n h TRP 744 CO -0.09 0.97 0.50 -0.07 -3.56 0.00 0.00 178.44 176.19 3f2n h LEU 745 N 0.83 0.78 -0.38 -4.49 3.38 -0.69 -0.58 115.31 114.17 3f2n h LEU 745 Ca 0.15 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 3f2n h LEU 745 Cb 0.57 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3f2n h LEU 745 CO 0.03 0.53 0.02 -0.74 0.09 0.00 0.00 178.44 178.38 3f2n h HIS 746 N 0.91 0.71 -0.86 1.13 2.76 -0.12 -0.03 115.15 119.65 3f2n h HIS 746 Ca 0.31 -0.12 0.08 0.00 -2.20 0.00 0.00 60.37 58.44 3f2n h HIS 746 Cb 0.08 -0.19 -0.07 0.00 1.55 0.00 0.00 27.41 28.78 3f2n h HIS 746 CO -0.00 0.73 0.52 -0.92 -1.30 0.00 0.00 177.93 176.96 3f2n h TYR 747 N 0.49 0.95 -0.33 5.26 3.20 -0.75 -1.05 116.97 124.74 3f2n h TYR 747 Ca 0.11 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.84 3f2n h TYR 747 Cb 0.44 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 3f2n h TYR 747 CO 0.03 0.44 -0.47 -0.07 -1.64 0.00 0.00 178.16 176.45 3f2n h LEU 748 N 0.90 0.97 -0.80 2.82 3.38 -0.79 -1.32 115.31 120.47 3f2n h LEU 748 Ca 0.40 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3f2n h LEU 748 Cb 0.28 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3f2n h LEU 748 CO -0.21 1.27 0.51 0.74 0.09 0.00 0.00 178.44 180.84 3f2n h THR 749 N 0.70 1.22 -0.58 0.22 2.02 -0.77 -1.58 112.91 114.13 3f2n h THR 749 Ca 0.04 -0.43 0.04 0.00 0.77 0.00 0.00 66.41 66.82 3f2n h THR 749 Cb 1.07 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 3f2n h THR 749 CO 0.11 0.22 0.33 -0.78 0.37 0.00 0.00 175.52 175.76 3f2n h ASP 750 N 1.09 0.51 -0.79 4.18 3.58 -1.02 -0.94 116.42 123.03 3f2n h ASP 750 Ca 0.29 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.73 3f2n h ASP 750 Cb -0.08 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 40.85 3f2n h ASP 750 CO -0.06 0.35 0.40 0.11 -2.88 0.00 0.00 179.24 177.15 3f2n h LYS 751 N 0.64 1.12 -0.65 0.28 1.79 -0.81 -1.61 116.57 117.32 3f2n h LYS 751 Ca 0.25 -0.15 -0.06 0.00 -2.18 0.00 0.00 60.65 58.50 3f2n h LYS 751 Cb 0.10 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 30.52 3f2n h LYS 751 CO -0.14 0.86 0.16 0.52 -1.08 0.00 0.00 179.45 179.76 3f2n h MET 752 N 1.11 1.02 0.00 3.15 2.86 -0.77 0.62 114.93 122.91 3f2n h MET 752 Ca 0.27 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3f2n h MET 752 Cb 0.09 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.61 3f2n h MET 752 CO -0.04 0.90 -0.01 -0.07 1.06 0.00 0.00 176.91 178.75 3f2n h LEU 753 N 0.97 0.00 0.00 1.22 3.38 -0.90 -3.38 115.31 116.60 3f2n h LEU 753 Ca 0.21 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 3f2n h LEU 753 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3f2n h LEU 753 CO 0.00 0.00 -1.08 0.29 0.09 0.00 0.00 178.44 177.74 3f2n n LYS 754 N -3.04 1.83 -0.15 1.13 5.02 -0.63 -4.84 118.16 117.48 3f2n n LYS 754 Ca 0.04 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.38 3f2n n LYS 754 Cb 0.52 -1.03 0.12 0.00 -0.02 0.00 0.00 35.03 34.62 3f2n n LYS 754 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3f2n n GLN 755 N -2.30 2.81 -4.53 1.97 6.02 0.19 -5.00 117.38 116.53 3f2n n GLN 755 Ca -0.02 -2.02 -0.33 0.00 -0.01 0.00 0.00 57.00 54.62 3f2n n GLN 755 Cb 0.53 -1.28 -0.11 0.00 1.02 0.00 0.00 30.24 30.41 3f2n n GLN 755 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3f2n s MET 756 N -1.37 2.58 -0.06 -1.09 -1.94 -1.22 -4.85 119.30 111.36 3f2n s MET 756 Ca 0.19 -0.69 0.04 0.00 -1.71 0.00 0.00 55.69 53.53 3f2n s MET 756 Cb 0.12 -2.51 -0.02 0.00 2.01 0.00 0.00 34.83 34.44 3f2n s MET 756 CO 0.09 0.62 -0.18 0.95 -0.01 0.00 0.00 175.02 176.49 3f2n s THR 757 N -0.93 2.71 0.05 2.05 -4.23 0.11 -5.00 115.64 110.40 3f2n s THR 757 Ca 0.15 -0.84 0.08 0.00 -1.18 0.00 0.00 61.69 59.91 3f2n s THR 757 Cb -0.11 -2.05 -0.03 0.00 1.34 0.00 0.00 72.50 71.65 3f2n s THR 757 CO 0.05 0.57 -0.21 -0.36 -0.54 0.00 0.00 174.62 174.13 3f2n s PHE 758 N -0.37 2.47 0.23 3.99 0.08 -1.26 -4.01 117.98 119.11 3f2n s PHE 758 Ca 0.03 -0.31 -0.05 0.00 0.12 0.00 0.00 56.93 56.72 3f2n s PHE 758 Cb -0.12 -1.42 0.23 0.00 -0.57 0.00 0.00 43.02 41.14 3f2n s PHE 758 CO 0.02 0.23 1.77 0.87 -0.10 0.00 0.00 175.22 178.01 3f2n h LYS 759 N 4.52 1.04 -5.12 0.44 1.57 -0.95 -3.39 116.57 114.68 3f2n h LYS 759 Ca -0.48 -0.22 -0.65 0.00 -1.87 0.00 0.00 60.65 57.43 3f2n h LYS 759 Cb 1.15 -0.15 -0.25 0.00 0.08 0.00 0.00 32.23 33.06 3f2n h LYS 759 CO 0.46 0.90 -0.70 0.99 -0.57 0.00 0.00 179.45 180.53 3f2n s THR 760 N -5.33 3.59 0.83 -0.16 2.01 0.12 -5.05 115.64 111.65 3f2n s THR 760 Ca -0.11 -0.44 -0.12 0.00 0.31 0.00 0.00 61.69 61.33 3f2n s THR 760 Cb 0.15 -2.60 0.09 0.00 0.01 0.00 0.00 72.50 70.15 3f2n s THR 760 CO 0.83 0.45 1.11 -0.54 -0.69 0.00 0.00 174.62 175.77 3f2n s LYS 761 N 1.02 1.81 -1.35 4.92 3.01 -1.26 -4.58 119.74 123.31 3f2n s LYS 761 Ca 0.01 0.55 -0.07 0.00 -1.01 0.00 0.00 55.97 55.45 3f2n s LYS 761 Cb -0.15 -1.89 0.11 0.00 -1.01 0.00 0.00 37.83 34.88 3f2n s LYS 761 CO 0.01 -1.79 2.36 0.00 0.51 0.00 0.00 175.35 176.43 3f2n n ASN 763 N 2.35 1.94 -4.71 0.00 0.23 -1.26 -4.41 115.26 109.40 3f2n n ASN 763 Ca 0.60 -3.28 -0.25 0.00 -0.53 0.00 0.00 54.58 51.12 3f2n n ASN 763 Cb 0.27 -0.45 -0.07 0.00 -2.08 0.00 0.00 39.78 37.45 3f2n n ASN 763 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3f2n s THR 764 N -2.74 3.92 0.26 5.53 -4.23 -1.26 -5.02 115.64 112.10 3f2n s THR 764 Ca 0.32 -1.44 -0.03 0.00 -1.18 0.00 0.00 61.69 59.36 3f2n s THR 764 Cb 0.30 -3.02 0.26 0.00 1.34 0.00 0.00 72.50 71.38 3f2n s THR 764 CO -0.01 -0.19 1.88 -0.65 -0.54 0.00 0.00 174.62 175.11 3f2n h PRO 765 N 2.34 1.14 -0.56 3.99 0.11 -1.99 -0.63 132.00 136.41 3f2n h PRO 765 Ca -0.47 -0.07 0.04 0.00 0.11 0.00 0.00 66.00 65.61 3f2n h PRO 765 Cb 1.22 -0.26 -0.04 0.00 0.11 0.00 0.00 31.00 32.03 3f2n h PRO 765 CO 0.60 0.75 0.31 0.00 -0.21 0.00 0.00 178.00 179.45 3f2n h ALA 766 N 1.43 0.72 -0.17 -0.75 0.00 -1.99 -1.10 119.26 117.40 3f2n h ALA 766 Ca 0.42 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.16 3f2n h ALA 766 Cb 0.13 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3f2n h ALA 766 CO -0.16 -0.00 -0.57 0.52 0.00 0.00 0.00 179.25 179.04 3f2n h MET 767 N 0.60 0.69 -0.95 0.00 2.86 -1.88 -2.87 114.93 113.38 3f2n h MET 767 Ca 0.24 -0.51 0.12 0.00 -2.06 0.00 0.00 59.70 57.48 3f2n h MET 767 Cb 0.10 0.09 -0.08 0.00 0.06 0.00 0.00 31.60 31.77 3f2n h MET 767 CO -0.14 1.13 0.61 0.87 1.06 0.00 0.00 176.91 180.44 3f2n h LYS 768 N 0.38 0.87 -0.55 1.72 1.57 -0.93 -1.45 116.57 118.19 3f2n h LYS 768 Ca -0.02 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 3f2n h LYS 768 Cb 1.19 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 3f2n h LYS 768 CO 0.12 0.58 0.03 0.37 -0.57 0.00 0.00 179.45 179.98 3f2n h GLN 769 N 0.90 0.95 -0.65 3.15 4.15 -1.09 -1.75 115.11 120.77 3f2n h GLN 769 Ca 0.46 -0.29 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 3f2n h GLN 769 Cb 0.52 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 3f2n h GLN 769 CO -0.23 0.94 0.38 0.82 -1.93 0.00 0.00 178.83 178.81 3f2n h ILE 770 N 0.83 1.20 -0.41 2.39 2.04 -1.19 -0.97 117.51 121.40 3f2n h ILE 770 Ca 0.16 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.56 3f2n h ILE 770 Cb 0.49 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3f2n h ILE 770 CO 0.02 0.21 0.27 0.50 0.00 0.00 0.00 178.15 179.15 3f2n h LYS 771 N 0.89 0.53 -1.00 2.37 3.64 -1.07 -0.95 116.57 120.99 3f2n h LYS 771 Ca 0.23 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.62 3f2n h LYS 771 Cb 0.01 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 31.65 3f2n h LYS 771 CO -0.04 0.35 0.65 0.00 -2.27 0.00 0.00 179.45 178.15 3f2n h ARG 772 N 0.55 1.21 -0.52 1.90 3.08 -0.94 -0.75 114.38 118.91 3f2n h ARG 772 Ca 0.15 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 3f2n h ARG 772 Cb -0.06 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 29.70 3f2n h ARG 772 CO -0.04 0.80 -0.12 0.87 -1.07 0.00 0.00 179.97 180.41 3f2n h LYS 773 N 1.25 0.98 -0.56 0.04 1.57 -0.46 -0.93 116.57 118.46 3f2n h LYS 773 Ca 0.40 -0.36 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 3f2n h LYS 773 Cb 0.02 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3f2n h LYS 773 CO -0.13 1.04 -0.07 0.82 -0.57 0.00 0.00 179.45 180.54 3f2n h ILE 774 N 0.87 1.27 -0.71 1.86 2.04 -0.75 -0.92 117.51 121.17 3f2n h ILE 774 Ca 0.13 -1.22 -0.05 0.00 1.00 0.00 0.00 64.86 64.72 3f2n h ILE 774 Cb 0.68 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 3f2n h ILE 774 CO 0.05 0.44 0.23 1.56 0.00 0.00 0.00 178.15 180.42 3f2n h GLN 775 N 0.92 1.09 -0.38 2.37 4.20 -0.98 0.12 115.11 122.45 3f2n h GLN 775 Ca 0.15 -0.22 -0.10 0.00 0.06 0.00 0.00 58.65 58.53 3f2n h GLN 775 Cb 0.63 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 3f2n h GLN 775 CO 0.04 0.93 -0.19 1.49 -0.67 0.00 0.00 178.83 180.43 3f2n h GLU 776 N 1.05 0.73 -0.03 1.46 4.22 -0.98 -2.13 114.58 118.90 3f2n h GLU 776 Ca 0.23 -0.27 0.00 0.00 0.08 0.00 0.00 59.36 59.40 3f2n h GLU 776 Cb 0.29 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3f2n h GLU 776 CO -0.01 0.87 0.01 0.35 -2.18 0.00 0.00 179.01 178.04 3f2n h PHE 777 N 0.65 0.01 -0.84 0.92 3.57 -0.85 -2.18 116.94 118.21 3f2n h PHE 777 Ca 0.10 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.70 3f2n h PHE 777 Cb 0.68 -0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.34 3f2n h PHE 777 CO 0.03 0.00 0.49 1.25 -2.23 0.00 0.00 178.31 177.86 3f2n h HIS 778 N 0.02 0.89 -0.00 0.41 2.76 -0.70 -0.68 115.15 117.85 3f2n h HIS 778 Ca 0.01 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 3f2n h HIS 778 Cb 0.01 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 28.70 3f2n h HIS 778 CO -0.09 0.36 -0.15 2.89 -1.30 0.00 0.00 177.93 179.65 3f2n n ARG 779 N -4.73 0.44 -0.01 5.26 1.85 -0.83 -4.21 116.66 114.43 3f2n n ARG 779 Ca 0.14 -0.14 -0.01 0.00 -1.00 0.00 0.00 57.85 56.84 3f2n n ARG 779 Cb 0.28 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.17 3f2n n ARG 779 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3f2n n THR 780 N -1.16 0.14 0.10 8.89 -2.24 -0.83 -4.81 114.28 114.37 3f2n n THR 780 Ca 0.12 -0.10 0.11 0.00 -2.27 0.00 0.00 64.05 61.90 3f2n n THR 780 Cb 0.30 -0.57 0.60 0.00 -2.10 0.00 0.00 70.33 68.56 3f2n n THR 780 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f2n h MET 781 N 0.00 0.15 0.00 -0.78 -0.00 -1.30 -0.90 114.93 112.09 3f2n h MET 781 Ca -0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.64 3f2n h MET 781 Cb 0.90 -0.03 0.00 0.00 -0.00 0.00 0.00 31.60 32.46 3f2n h MET 781 CO 0.00 0.10 0.00 1.28 -0.00 0.00 0.00 176.91 178.29 3f2n n LEU 782 N -4.48 0.00 -0.63 -0.10 4.77 -1.26 -1.53 117.00 113.77 3f2n n LEU 782 Ca 0.03 0.42 0.05 0.00 -0.03 0.00 0.00 56.01 56.49 3f2n n LEU 782 Cb 0.26 -0.42 0.15 0.00 -2.33 0.00 0.00 43.42 41.07 3f2n n LEU 782 CO 0.35 -0.28 0.63 0.59 -1.33 0.00 0.00 177.39 177.35 3f2n n ASN 783 N -1.42 1.82 -4.72 -1.43 3.02 -0.34 -4.89 115.26 107.31 3f2n n ASN 783 Ca 0.03 -2.00 -0.26 0.00 -0.03 0.00 0.00 54.58 52.32 3f2n n ASN 783 Cb 0.10 -0.23 -0.07 0.00 -0.61 0.00 0.00 39.78 38.98 3f2n n ASN 783 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3f2n s PHE 784 N -1.55 2.96 -0.64 3.10 0.08 -0.58 -5.06 117.98 116.29 3f2n s PHE 784 Ca 0.23 -0.09 0.22 0.00 0.12 0.00 0.00 56.93 57.40 3f2n s PHE 784 Cb 0.12 -1.42 -0.15 0.00 -0.57 0.00 0.00 43.02 40.99 3f2n s PHE 784 CO 0.15 0.52 0.85 -1.13 -0.10 0.00 0.00 175.22 175.51 3f2n n SER 785 N -0.26 0.62 -3.69 1.36 3.41 -1.26 -4.93 113.62 108.87 3f2n n SER 785 Ca -0.09 -0.49 -0.04 0.00 -0.26 0.00 0.00 58.87 57.99 3f2n n SER 785 Cb 0.55 1.17 -0.01 0.00 -0.26 0.00 0.00 64.21 65.65 3f2n n SER 785 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3f2n s SER 786 N -3.66 -0.21 0.30 4.04 1.04 -1.26 -2.63 113.70 111.32 3f2n s SER 786 Ca 0.03 -0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.17 3f2n s SER 786 Cb 0.15 0.44 0.48 0.00 0.10 0.00 0.00 66.02 67.19 3f2n s SER 786 CO 0.85 -0.80 1.85 0.00 0.98 0.00 0.00 173.24 176.13 3f2n h ALA 787 N 2.00 1.28 -0.40 5.32 0.00 -1.91 -1.65 119.26 123.91 3f2n h ALA 787 Ca -0.24 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.51 3f2n h ALA 787 Cb 1.23 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 3f2n h ALA 787 CO 0.27 0.50 0.20 1.15 0.00 0.00 0.00 179.25 181.37 3f2n h THR 788 N 0.71 0.99 -0.37 0.00 2.02 -1.86 -0.13 112.91 114.28 3f2n h THR 788 Ca 0.16 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.22 3f2n h THR 788 Cb 0.28 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 3f2n h THR 788 CO -0.00 0.08 0.19 -0.78 0.37 0.00 0.00 175.52 175.37 3f2n h ASP 789 N 0.41 0.28 0.20 4.18 3.58 -1.87 -0.23 116.42 122.97 3f2n h ASP 789 Ca 0.17 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 3f2n h ASP 789 Cb 0.07 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.08 3f2n h ASP 789 CO -0.11 0.20 -0.09 -0.07 -2.88 0.00 0.00 179.24 176.29 3f2n h LEU 790 N 0.38 -0.22 -0.43 2.28 3.38 -0.97 -0.32 115.31 119.41 3f2n h LEU 790 Ca 0.15 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.16 3f2n h LEU 790 Cb 0.06 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 3f2n h LEU 790 CO -0.10 -0.13 0.15 0.25 0.09 0.00 0.00 178.44 178.69 3f2n h LEU 791 N -0.30 0.15 0.00 1.67 5.85 -0.82 0.37 115.31 122.23 3f2n h LEU 791 Ca -0.03 0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.60 3f2n h LEU 791 Cb 0.23 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3f2n h LEU 791 CO 0.04 0.12 -0.73 0.00 -0.34 0.00 0.00 178.44 177.53 3f2n n GLN 793 N -3.23 1.30 -2.43 0.00 1.13 -0.14 -5.05 117.38 108.96 3f2n n GLN 793 Ca 0.00 -0.01 -0.41 0.00 -1.94 0.00 0.00 57.00 54.65 3f2n n GLN 793 Cb 0.81 -1.03 -0.04 0.00 0.11 0.00 0.00 30.24 30.09 3f2n n GLN 793 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 3f2n s HIS 794 N -2.06 3.50 0.53 1.08 2.46 0.11 -4.92 115.29 116.00 3f2n s HIS 794 Ca -0.00 1.54 0.33 0.00 0.47 0.00 0.00 55.06 57.40 3f2n s HIS 794 Cb 0.01 -3.35 1.86 0.00 -0.13 0.00 0.00 32.58 30.96 3f2n s HIS 794 CO 0.05 -0.88 2.22 0.66 -2.47 0.00 0.00 174.74 174.32 3f2n h SER 795 N 4.81 0.00 -0.18 9.88 4.64 -1.96 -2.07 113.55 128.67 3f2n h SER 795 Ca -0.45 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.90 3f2n h SER 795 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 3f2n h SER 795 CO 0.72 0.03 0.12 0.25 -0.87 0.00 0.00 176.83 177.09 3f2n h LEU 796 N 0.00 0.09 -2.75 5.97 5.85 -1.91 -2.84 115.31 119.72 3f2n h LEU 796 Ca -0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3f2n h LEU 796 Cb 0.13 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3f2n h LEU 796 CO 0.00 0.06 0.00 0.49 -0.34 0.00 0.00 178.44 178.66 3f2n n PHE 797 N -4.50 0.92 1.31 1.25 3.72 -0.78 -5.11 117.46 114.27 3f2n n PHE 797 Ca 0.01 -0.49 0.13 0.00 -0.05 0.00 0.00 57.45 57.05 3f2n n PHE 797 Cb 0.18 -0.00 0.36 0.00 -0.94 0.00 0.00 39.48 39.08 3f2n n PHE 797 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34