#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iq7 s PRO 472 N 0.00 3.25 0.24 1.61 0.04 -1.26 -4.99 135.00 133.89 3iq7 s PRO 472 Ca 0.00 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.66 3iq7 s PRO 472 Cb 0.00 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 3iq7 s PRO 472 CO 0.00 -0.94 0.43 0.14 0.04 0.00 0.00 177.00 176.67 3iq7 s VAL 473 N -1.80 5.19 0.86 -0.36 -7.23 -0.63 -4.82 120.40 111.60 3iq7 s VAL 473 Ca 0.73 -0.48 -0.11 0.00 -1.81 0.00 0.00 61.98 60.31 3iq7 s VAL 473 Cb -0.24 -3.78 0.11 0.00 0.56 0.00 0.00 36.38 33.02 3iq7 s VAL 473 CO 0.29 -0.29 1.09 -2.16 -0.31 0.00 0.00 175.10 173.72 3iq7 s PRO 474 N -3.66 1.55 0.28 4.82 0.04 -1.26 -0.89 135.00 135.88 3iq7 s PRO 474 Ca 0.38 0.93 0.02 0.00 0.04 0.00 0.00 61.00 62.37 3iq7 s PRO 474 Cb -0.10 -1.83 0.58 0.00 0.04 0.00 0.00 34.50 33.18 3iq7 s PRO 474 CO 0.31 -2.07 1.81 0.74 0.04 0.00 0.00 177.00 177.83 3iq7 h PHE 475 N -1.43 1.06 0.00 0.56 0.04 -1.94 -2.48 116.94 112.75 3iq7 h PHE 475 Ca -0.48 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.32 3iq7 h PHE 475 Cb 1.27 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 39.09 3iq7 h PHE 475 CO 0.47 0.36 -0.01 0.66 -0.60 0.00 0.00 178.31 179.18 3iq7 h SER 476 N 0.88 0.00 -0.42 2.17 4.64 -1.92 0.28 113.55 119.18 3iq7 h SER 476 Ca 0.50 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.86 3iq7 h SER 476 Cb 0.60 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.65 3iq7 h SER 476 CO -0.30 0.01 0.19 -0.74 -0.87 0.00 0.00 176.83 175.13 3iq7 h HIS 477 N 0.00 0.36 0.02 4.77 -0.00 -1.80 -2.76 115.15 115.74 3iq7 h HIS 477 Ca -0.00 0.02 -0.26 0.00 -0.00 0.00 0.00 60.37 60.13 3iq7 h HIS 477 Cb 0.05 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.32 3iq7 h HIS 477 CO 0.00 0.17 -1.39 0.00 -0.00 0.00 0.00 177.93 176.71 3iq7 n LEU 479 N -3.24 1.24 -4.58 0.00 4.77 0.90 -5.01 117.00 111.07 3iq7 n LEU 479 Ca -0.10 -4.92 -0.29 0.00 -0.03 0.00 0.00 56.01 50.67 3iq7 n LEU 479 Cb 1.00 0.27 0.21 0.00 -2.33 0.00 0.00 43.42 42.58 3iq7 n LEU 479 CO 0.47 2.08 0.58 -2.16 -1.33 0.00 0.00 177.39 177.03 3iq7 s PRO 480 N -1.63 -0.16 0.21 3.23 0.04 -1.04 -4.23 135.00 131.43 3iq7 s PRO 480 Ca 0.37 0.79 -0.11 0.00 0.04 0.00 0.00 61.00 62.09 3iq7 s PRO 480 Cb 0.17 -1.65 0.29 0.00 0.04 0.00 0.00 34.50 33.36 3iq7 s PRO 480 CO -0.08 -3.20 1.65 1.15 0.04 0.00 0.00 177.00 176.56 3iq7 h THR 481 N -2.24 0.44 -0.57 1.26 2.02 -1.98 -0.78 112.91 111.06 3iq7 h THR 481 Ca -0.57 -0.03 -0.09 0.00 0.77 0.00 0.00 66.41 66.50 3iq7 h THR 481 Cb 1.32 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 3iq7 h THR 481 CO 0.52 0.01 0.01 -0.33 0.37 0.00 0.00 175.52 176.11 3iq7 h GLU 482 N 0.08 1.00 -0.74 6.66 3.07 -1.98 0.65 114.58 123.31 3iq7 h GLU 482 Ca 0.32 -0.31 -0.05 0.00 -0.50 0.00 0.00 59.36 58.82 3iq7 h GLU 482 Cb 0.53 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.31 3iq7 h GLU 482 CO -0.57 0.99 0.27 -0.22 -1.40 0.00 0.00 179.01 178.07 3iq7 h LYS 483 N 0.88 1.13 -0.54 2.33 3.64 -1.67 -2.31 116.57 120.02 3iq7 h LYS 483 Ca 0.16 -0.22 -0.12 0.00 -1.27 0.00 0.00 60.65 59.20 3iq7 h LYS 483 Cb 0.53 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 3iq7 h LYS 483 CO 0.03 0.94 -0.12 -0.07 -2.27 0.00 0.00 179.45 177.96 3iq7 h LEU 484 N 1.08 1.05 -2.11 5.20 3.38 -0.77 -2.88 115.31 120.27 3iq7 h LEU 484 Ca 0.24 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3iq7 h LEU 484 Cb 0.26 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3iq7 h LEU 484 CO -0.01 1.16 -0.04 1.56 0.09 0.00 0.00 178.44 181.20 3iq7 h GLN 485 N 0.92 0.00 -0.06 1.13 4.20 -0.67 -2.06 115.11 118.57 3iq7 h GLN 485 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3iq7 h GLN 485 Cb 0.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 3iq7 h GLN 485 CO 0.05 0.04 0.00 0.54 -0.67 0.00 0.00 178.83 178.79 3iq7 n ARG 486 N -3.25 2.05 -2.33 1.46 1.74 -0.89 -4.93 116.66 110.51 3iq7 n ARG 486 Ca -0.01 -1.54 -0.42 0.00 -0.77 0.00 0.00 57.85 55.11 3iq7 n ARG 486 Cb 0.21 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.15 3iq7 n ARG 486 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3iq7 s GLU 488 N 0.28 1.60 0.07 0.00 8.01 -0.18 -4.83 118.70 123.65 3iq7 s GLU 488 Ca 0.56 -0.44 -0.31 0.00 0.01 0.00 0.00 54.97 54.79 3iq7 s GLU 488 Cb -0.33 -1.36 -0.06 0.00 -4.31 0.00 0.00 34.13 28.07 3iq7 s GLU 488 CO 0.34 0.09 1.25 0.21 0.01 0.00 0.00 175.26 177.17 3iq7 s LYS 489 N 0.43 4.40 0.00 1.61 2.20 -1.26 -0.45 119.74 126.67 3iq7 s LYS 489 Ca -0.10 1.84 0.02 0.00 -0.36 0.00 0.00 55.97 57.37 3iq7 s LYS 489 Cb -0.14 -3.34 -0.02 0.00 -1.51 0.00 0.00 37.83 32.82 3iq7 s LYS 489 CO 0.03 -0.32 0.11 0.44 -0.36 0.00 0.00 175.35 175.25 3iq7 n ILE 490 N 3.99 0.00 -4.00 5.43 -5.35 0.31 -4.88 119.36 114.87 3iq7 n ILE 490 Ca 0.10 -0.46 0.03 0.00 -0.27 0.00 0.00 62.75 62.15 3iq7 n ILE 490 Cb 0.45 1.00 0.01 0.00 -1.74 0.00 0.00 39.64 39.37 3iq7 n ILE 490 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3iq7 s GLY 491 N -1.09 -0.17 0.13 3.28 0.00 -1.05 -5.00 107.32 103.42 3iq7 s GLY 491 Ca 0.01 0.10 -0.25 0.00 0.00 0.00 0.00 44.72 44.59 3iq7 s GLY 491 CO 0.07 6.01 0.76 -1.83 0.00 0.00 0.00 173.10 178.10 3iq7 s GLU 492 N -2.02 1.23 0.18 2.90 -1.05 -1.26 -0.96 118.70 117.71 3iq7 s GLU 492 Ca 0.30 -0.54 -0.07 0.00 -0.15 0.00 0.00 54.97 54.51 3iq7 s GLU 492 Cb -0.00 0.51 0.03 0.00 -0.44 0.00 0.00 34.13 34.22 3iq7 s GLU 492 CO -0.02 -0.55 0.37 0.41 0.95 0.00 0.00 175.26 176.42 3iq7 n GLY 493 N -0.37 1.52 0.38 -3.83 0.00 -0.89 -4.99 105.19 97.01 3iq7 n GLY 493 Ca -0.11 -1.12 0.17 0.00 0.00 0.00 0.00 46.02 44.95 3iq7 n GLY 493 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3iq7 h VAL 494 N 1.46 0.69 -0.40 1.61 2.07 -1.96 -1.37 116.25 118.35 3iq7 h VAL 494 Ca -0.16 -0.20 0.11 0.00 0.82 0.00 0.00 66.70 67.28 3iq7 h VAL 494 Cb 0.57 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3iq7 h VAL 494 CO 0.20 0.10 0.29 2.19 0.02 0.00 0.00 177.57 180.37 3iq7 h PHE 495 N 0.57 0.00 0.00 1.57 -0.00 -1.94 -3.44 116.94 113.70 3iq7 h PHE 495 Ca 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.49 3iq7 h PHE 495 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.01 3iq7 h PHE 495 CO -0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.31 178.72 3iq7 n GLY 496 N -1.61 0.33 3.04 6.09 0.00 -0.52 -4.36 105.19 108.16 3iq7 n GLY 496 Ca 0.07 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 45.02 3iq7 n GLY 496 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iq7 s GLU 497 N -0.83 0.48 -0.10 1.61 0.41 -0.94 -2.09 118.70 117.23 3iq7 s GLU 497 Ca 0.00 -0.71 0.01 0.00 -0.41 0.00 0.00 54.97 53.87 3iq7 s GLU 497 Cb 0.00 -0.22 0.02 0.00 -1.78 0.00 0.00 34.13 32.15 3iq7 s GLU 497 CO 0.00 0.03 -0.13 0.08 -0.49 0.00 0.00 175.26 174.75 3iq7 s VAL 498 N -1.35 1.31 0.00 2.63 1.01 -0.14 -1.12 120.40 122.74 3iq7 s VAL 498 Ca -0.11 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.43 3iq7 s VAL 498 Cb -0.10 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 3iq7 s VAL 498 CO 0.00 0.40 -0.26 -0.36 0.00 0.00 0.00 175.10 174.89 3iq7 s PHE 499 N 1.05 2.30 -0.04 5.22 0.08 0.02 -0.53 117.98 126.09 3iq7 s PHE 499 Ca -0.06 -0.43 -0.14 0.00 0.12 0.00 0.00 56.93 56.42 3iq7 s PHE 499 Cb -0.15 -1.45 -0.05 0.00 -0.57 0.00 0.00 43.02 40.80 3iq7 s PHE 499 CO -0.02 0.01 0.36 -1.14 -0.10 0.00 0.00 175.22 174.34 3iq7 s GLN 500 N -0.80 3.89 0.00 0.44 0.74 0.40 0.13 119.66 124.47 3iq7 s GLN 500 Ca 0.10 0.31 0.00 0.00 0.05 0.00 0.00 55.36 55.82 3iq7 s GLN 500 Cb -0.10 -3.24 0.00 0.00 1.10 0.00 0.00 33.01 30.77 3iq7 s GLN 500 CO -0.00 0.65 0.00 -2.37 -0.55 0.00 0.00 175.29 173.02 3iq7 n THR 501 N 2.06 0.00 -4.60 -0.34 5.66 -0.49 -1.01 114.28 115.56 3iq7 n THR 501 Ca -0.14 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.59 3iq7 n THR 501 Cb 0.53 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 69.14 3iq7 n THR 501 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3iq7 s ILE 502 N -2.35 1.33 -0.16 1.09 -1.09 -1.26 -1.59 121.20 117.16 3iq7 s ILE 502 Ca 0.00 -0.57 0.01 0.00 -2.23 0.00 0.00 60.65 57.86 3iq7 s ILE 502 Cb 0.00 -1.21 0.02 0.00 -1.58 0.00 0.00 42.46 39.69 3iq7 s ILE 502 CO 0.00 0.40 -0.18 0.00 -1.23 0.00 0.00 174.94 173.93 3iq7 s ALA 503 N 0.76 2.13 -1.23 9.38 0.00 0.82 -4.77 121.76 128.85 3iq7 s ALA 503 Ca -0.12 -1.08 -0.27 0.00 0.00 0.00 0.00 51.96 50.49 3iq7 s ALA 503 Cb -0.16 -1.10 0.03 0.00 0.00 0.00 0.00 23.12 21.89 3iq7 s ALA 503 CO 0.02 -0.31 0.64 -0.25 0.00 0.00 0.00 175.76 175.87 3iq7 n ASP 504 N 4.59 -3.82 -1.94 0.00 8.00 -1.26 -1.05 116.55 121.06 3iq7 n ASP 504 Ca -0.19 -1.22 -0.19 0.00 0.71 0.00 0.00 54.79 53.89 3iq7 n ASP 504 Cb 0.50 -2.12 -0.05 0.00 -0.02 0.00 0.00 41.12 39.43 3iq7 n ASP 504 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3iq7 n HIS 505 N -4.80 -0.56 -4.51 1.24 8.25 -1.26 -4.97 115.22 108.61 3iq7 n HIS 505 Ca -0.13 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.07 3iq7 n HIS 505 Cb 0.59 -3.45 -0.17 0.00 1.12 0.00 0.00 29.99 28.08 3iq7 n HIS 505 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3iq7 s THR 506 N -2.75 1.17 0.31 1.59 2.01 -0.22 -5.12 115.64 112.63 3iq7 s THR 506 Ca 0.00 -0.48 -0.29 0.00 0.31 0.00 0.00 61.69 61.23 3iq7 s THR 506 Cb 0.00 -1.08 -0.11 0.00 0.01 0.00 0.00 72.50 71.33 3iq7 s THR 506 CO 0.00 0.37 1.47 -2.16 -0.69 0.00 0.00 174.62 173.60 3iq7 s PRO 507 N 0.80 4.21 0.08 4.92 0.04 -1.26 -0.12 135.00 143.66 3iq7 s PRO 507 Ca -0.12 2.43 -0.03 0.00 0.04 0.00 0.00 61.00 63.32 3iq7 s PRO 507 Cb -0.15 -3.04 -0.03 0.00 0.04 0.00 0.00 34.50 31.31 3iq7 s PRO 507 CO 0.02 -0.46 0.05 0.14 0.04 0.00 0.00 177.00 176.79 3iq7 s VAL 508 N -0.50 0.17 -0.12 -0.36 -7.23 -0.62 -3.63 120.40 108.11 3iq7 s VAL 508 Ca 0.57 -1.70 0.03 0.00 -1.81 0.00 0.00 61.98 59.06 3iq7 s VAL 508 Cb -0.44 -1.63 0.01 0.00 0.56 0.00 0.00 36.38 34.87 3iq7 s VAL 508 CO 0.51 -0.77 -0.22 0.00 -0.31 0.00 0.00 175.10 174.31 3iq7 s ALA 509 N -3.94 2.12 -0.23 1.32 0.00 -0.16 -1.40 121.76 119.46 3iq7 s ALA 509 Ca 0.11 -0.98 -0.04 0.00 0.00 0.00 0.00 51.96 51.06 3iq7 s ALA 509 Cb 0.07 -0.88 -0.00 0.00 0.00 0.00 0.00 23.12 22.31 3iq7 s ALA 509 CO -0.07 0.11 -0.03 0.42 0.00 0.00 0.00 175.76 176.19 3iq7 s ILE 510 N 0.62 3.38 -0.23 0.00 -1.09 0.12 -0.19 121.20 123.81 3iq7 s ILE 510 Ca -0.13 -0.59 -0.09 0.00 -2.23 0.00 0.00 60.65 57.62 3iq7 s ILE 510 Cb -0.17 -2.59 -0.04 0.00 -1.58 0.00 0.00 42.46 38.08 3iq7 s ILE 510 CO 0.03 0.35 0.11 -0.75 -1.23 0.00 0.00 174.94 173.45 3iq7 s LYS 511 N 1.46 3.89 -0.17 2.79 2.20 -0.13 -0.80 119.74 128.98 3iq7 s LYS 511 Ca 0.05 -0.37 0.01 0.00 -0.36 0.00 0.00 55.97 55.30 3iq7 s LYS 511 Cb -0.15 -3.40 0.01 0.00 -1.51 0.00 0.00 37.83 32.79 3iq7 s LYS 511 CO -0.03 -0.00 -0.18 0.42 -0.36 0.00 0.00 175.35 175.20 3iq7 s ILE 512 N 1.16 2.28 -0.14 5.43 1.01 -0.28 -0.82 121.20 129.85 3iq7 s ILE 512 Ca 0.06 -0.88 -0.00 0.00 0.00 0.00 0.00 60.65 59.82 3iq7 s ILE 512 Cb -0.14 -1.95 0.03 0.00 0.01 0.00 0.00 42.46 40.40 3iq7 s ILE 512 CO 0.04 0.53 -0.10 -0.63 0.00 0.00 0.00 174.94 174.78 3iq7 s ILE 513 N 1.10 1.30 0.16 2.92 1.01 -0.32 -2.22 121.20 125.17 3iq7 s ILE 513 Ca 0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 60.65 59.83 3iq7 s ILE 513 Cb -0.14 -1.29 -0.08 0.00 0.01 0.00 0.00 42.46 40.95 3iq7 s ILE 513 CO -0.07 0.37 1.33 0.00 0.00 0.00 0.00 174.94 176.56 3iq7 s ALA 514 N 1.59 3.54 0.14 9.38 0.00 -1.26 -0.16 121.76 134.99 3iq7 s ALA 514 Ca 0.04 1.10 0.06 0.00 0.00 0.00 0.00 51.96 53.15 3iq7 s ALA 514 Cb -0.13 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 3iq7 s ALA 514 CO -0.09 -0.55 -0.13 0.96 0.00 0.00 0.00 175.76 175.95 3iq7 s ILE 515 N 0.48 1.33 0.00 0.00 -4.36 -0.41 -4.31 121.20 113.93 3iq7 s ILE 515 Ca 0.59 -1.89 0.00 0.00 -0.26 0.00 0.00 60.65 59.10 3iq7 s ILE 515 Cb -0.36 -1.69 0.00 0.00 1.25 0.00 0.00 42.46 41.66 3iq7 s ILE 515 CO 0.35 -0.54 0.00 -0.62 0.24 0.00 0.00 174.94 174.37 3iq7 n GLU 516 N 0.19 -0.16 -3.28 0.37 -0.58 0.25 -4.12 120.64 113.30 3iq7 n GLU 516 Ca -0.13 0.04 -0.21 0.00 -0.42 0.00 0.00 57.16 56.44 3iq7 n GLU 516 Cb 0.59 -3.40 0.00 0.00 -0.57 0.00 0.00 31.44 28.06 3iq7 n GLU 516 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3iq7 s GLY 517 N -2.00 1.52 0.14 0.62 0.00 -1.26 -5.03 107.32 101.32 3iq7 s GLY 517 Ca 0.00 -1.20 0.24 0.00 0.00 0.00 0.00 44.72 43.76 3iq7 s GLY 517 CO 0.00 -1.09 1.33 -0.56 0.00 0.00 0.00 173.10 172.78 3iq7 h PRO 518 N 0.68 0.00 -7.00 2.90 0.13 -1.97 -3.39 132.00 123.35 3iq7 h PRO 518 Ca -0.47 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.19 3iq7 h PRO 518 Cb 1.25 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.40 3iq7 h PRO 518 CO 0.56 0.00 0.40 -0.51 -0.23 0.00 0.00 178.00 178.22 3iq7 s ASP 519 N -4.42 6.64 0.32 1.44 1.01 -1.26 -4.93 116.67 115.48 3iq7 s ASP 519 Ca 0.06 1.99 -0.28 0.00 0.71 0.00 0.00 52.55 55.02 3iq7 s ASP 519 Cb 0.13 -2.58 -0.10 0.00 1.01 0.00 0.00 42.92 41.38 3iq7 s ASP 519 CO 0.72 -0.57 1.22 -0.76 0.21 0.00 0.00 175.17 175.99 3iq7 s LEU 520 N -2.92 4.44 -0.13 1.23 1.43 -1.26 -4.26 118.68 117.20 3iq7 s LEU 520 Ca 0.61 2.51 -0.01 0.00 -1.03 0.00 0.00 54.13 56.21 3iq7 s LEU 520 Cb -0.20 -3.69 0.04 0.00 0.03 0.00 0.00 46.19 42.37 3iq7 s LEU 520 CO 0.24 -0.43 -0.03 -0.69 0.23 0.00 0.00 176.35 175.67 3iq7 s VAL 521 N -1.18 0.81 -1.52 -1.59 1.01 0.35 -4.83 120.40 113.46 3iq7 s VAL 521 Ca 0.48 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 62.02 3iq7 s VAL 521 Cb -0.36 -0.98 0.08 0.00 0.00 0.00 0.00 36.38 35.12 3iq7 s VAL 521 CO 0.47 0.19 0.99 0.59 0.00 0.00 0.00 175.10 177.35 3iq7 n ASN 522 N 4.99 -5.01 0.00 3.32 3.02 -1.26 -1.70 115.26 118.62 3iq7 n ASN 522 Ca -0.10 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 3iq7 n ASN 522 Cb 0.49 -3.99 0.00 0.00 -0.61 0.00 0.00 39.78 35.67 3iq7 n ASN 522 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iq7 n GLY 523 N -1.71 0.89 3.17 7.41 0.00 -1.26 -4.87 105.19 108.82 3iq7 n GLY 523 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 3iq7 n GLY 523 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iq7 s SER 524 N -3.01 1.29 0.61 1.61 0.01 -0.69 -5.11 113.70 108.41 3iq7 s SER 524 Ca 0.00 -0.87 -0.15 0.00 1.31 0.00 0.00 55.95 56.23 3iq7 s SER 524 Cb 0.00 0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.25 3iq7 s SER 524 CO 0.00 -0.34 1.06 -1.00 0.41 0.00 0.00 173.24 173.37 3iq7 s HIS 525 N -2.86 2.95 0.39 2.43 3.76 -1.26 -0.50 115.29 120.21 3iq7 s HIS 525 Ca 0.07 1.51 -0.24 0.00 -0.15 0.00 0.00 55.06 56.25 3iq7 s HIS 525 Cb -0.00 -3.02 -0.09 0.00 1.11 0.00 0.00 32.58 30.58 3iq7 s HIS 525 CO -0.02 -1.20 1.04 -0.65 -0.85 0.00 0.00 174.74 173.07 3iq7 s GLN 526 N -4.14 4.19 0.66 1.40 -0.21 -1.26 -4.87 119.66 115.43 3iq7 s GLN 526 Ca 0.64 1.49 -0.16 0.00 0.02 0.00 0.00 55.36 57.35 3iq7 s GLN 526 Cb -0.16 -2.55 0.00 0.00 1.00 0.00 0.00 33.01 31.29 3iq7 s GLN 526 CO 0.39 -0.11 1.18 0.15 -2.12 0.00 0.00 175.29 174.77 3iq7 s LYS 527 N -2.48 2.63 0.68 2.91 1.02 -1.26 -4.60 119.74 118.64 3iq7 s LYS 527 Ca 0.57 1.67 -0.08 0.00 0.02 0.00 0.00 55.97 58.16 3iq7 s LYS 527 Cb -0.22 -1.90 0.04 0.00 -0.52 0.00 0.00 37.83 35.23 3iq7 s LYS 527 CO 0.27 -1.44 1.01 0.95 -0.92 0.00 0.00 175.35 175.22 3iq7 s THR 528 N -1.95 2.86 0.22 2.17 -4.23 -1.26 -0.58 115.64 112.87 3iq7 s THR 528 Ca 0.73 -0.05 -0.08 0.00 -1.18 0.00 0.00 61.69 61.11 3iq7 s THR 528 Cb -0.27 -3.21 0.16 0.00 1.34 0.00 0.00 72.50 70.52 3iq7 s THR 528 CO 0.40 -0.24 1.75 -0.26 -0.54 0.00 0.00 174.62 175.73 3iq7 h PHE 529 N -0.52 0.48 -0.44 3.99 0.04 -1.97 -1.69 116.94 116.84 3iq7 h PHE 529 Ca -0.45 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.30 3iq7 h PHE 529 Cb 1.29 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 39.30 3iq7 h PHE 529 CO 0.40 0.13 0.06 0.93 -0.60 0.00 0.00 178.31 179.23 3iq7 h GLU 530 N 0.47 0.69 0.00 1.51 4.39 -2.01 -2.01 114.58 117.62 3iq7 h GLU 530 Ca 0.33 -0.15 -0.09 0.00 0.34 0.00 0.00 59.36 59.80 3iq7 h GLU 530 Cb 0.41 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3iq7 h GLU 530 CO -0.31 0.67 -0.41 0.93 -1.16 0.00 0.00 179.01 178.72 3iq7 h GLU 531 N 0.66 0.00 0.00 2.33 5.08 -1.72 -3.21 114.58 117.73 3iq7 h GLU 531 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3iq7 h GLU 531 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3iq7 h GLU 531 CO 0.01 0.41 -0.70 0.97 -1.00 0.00 0.00 179.01 178.70 3iq7 h ILE 532 N 0.00 0.00 -0.89 3.13 6.09 -0.97 -3.38 117.51 121.49 3iq7 h ILE 532 Ca -0.00 -0.63 0.02 0.00 -1.37 0.00 0.00 64.86 62.88 3iq7 h ILE 532 Cb 1.02 1.20 -0.05 0.00 0.47 0.00 0.00 36.82 39.47 3iq7 h ILE 532 CO 0.05 0.00 0.58 0.25 -3.07 0.00 0.00 178.15 175.96 3iq7 h LEU 533 N 0.00 0.99 -0.87 2.19 5.85 -1.37 -2.69 115.31 119.41 3iq7 h LEU 533 Ca 0.00 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.75 3iq7 h LEU 533 Cb 0.81 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 3iq7 h LEU 533 CO 0.00 0.70 0.55 -0.65 -0.34 0.00 0.00 178.44 178.70 3iq7 h PRO 534 N 1.16 1.00 -0.85 5.25 0.11 -1.76 0.57 132.00 137.49 3iq7 h PRO 534 Ca 0.34 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.38 3iq7 h PRO 534 Cb -0.07 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 30.77 3iq7 h PRO 534 CO -0.09 0.66 0.51 1.49 -0.21 0.00 0.00 178.00 180.36 3iq7 h GLU 535 N 1.03 1.15 0.17 1.05 4.81 -1.70 -1.31 114.58 119.79 3iq7 h GLU 535 Ca 0.37 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 3iq7 h GLU 535 Cb 0.10 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.24 3iq7 h GLU 535 CO -0.15 0.81 -0.08 0.82 -0.73 0.00 0.00 179.01 179.68 3iq7 h ILE 536 N 1.17 0.90 -0.52 2.32 2.04 -1.05 -0.64 117.51 121.73 3iq7 h ILE 536 Ca 0.30 -0.36 0.08 0.00 1.00 0.00 0.00 64.86 65.88 3iq7 h ILE 536 Cb -0.05 1.13 -0.07 0.00 -0.74 0.00 0.00 36.82 37.09 3iq7 h ILE 536 CO -0.06 0.08 0.15 0.40 0.00 0.00 0.00 178.15 178.73 3iq7 h ILE 537 N -0.41 0.76 -0.17 -0.67 2.04 -0.80 -1.98 117.51 116.28 3iq7 h ILE 537 Ca -0.02 -0.11 -0.20 0.00 1.00 0.00 0.00 64.86 65.53 3iq7 h ILE 537 Cb 0.32 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 3iq7 h ILE 537 CO 0.04 0.06 -0.70 0.40 0.00 0.00 0.00 178.15 177.94 3iq7 h ILE 538 N 0.31 1.29 -0.54 -0.67 2.04 -1.06 -0.19 117.51 118.69 3iq7 h ILE 538 Ca 0.26 -1.93 0.04 0.00 1.00 0.00 0.00 64.86 64.23 3iq7 h ILE 538 Cb 0.32 1.91 -0.04 0.00 -0.74 0.00 0.00 36.82 38.27 3iq7 h ILE 538 CO -0.30 0.61 0.29 0.28 0.00 0.00 0.00 178.15 179.03 3iq7 h SER 539 N 0.52 0.43 -0.14 1.72 0.02 -0.98 0.29 113.55 115.41 3iq7 h SER 539 Ca -0.03 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3iq7 h SER 539 Cb 1.31 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 3iq7 h SER 539 CO 0.14 0.29 0.07 0.11 -1.14 0.00 0.00 176.83 176.31 3iq7 h LYS 540 N 0.56 0.20 -0.56 3.45 1.57 -1.11 -1.61 116.57 119.06 3iq7 h LYS 540 Ca 0.24 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 3iq7 h LYS 540 Cb 0.12 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 3iq7 h LYS 540 CO -0.15 0.25 0.27 0.93 -0.57 0.00 0.00 179.45 180.18 3iq7 h GLU 541 N 0.11 0.82 -0.17 3.15 4.39 -0.59 -2.66 114.58 119.62 3iq7 h GLU 541 Ca 0.05 -0.12 -0.11 0.00 0.34 0.00 0.00 59.36 59.52 3iq7 h GLU 541 Cb 0.11 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3iq7 h GLU 541 CO -0.01 0.67 -0.36 -0.07 -1.16 0.00 0.00 179.01 178.08 3iq7 h LEU 542 N 0.77 0.37 -1.90 1.33 3.38 -0.96 -2.78 115.31 115.51 3iq7 h LEU 542 Ca 0.19 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3iq7 h LEU 542 Cb 0.12 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3iq7 h LEU 542 CO -0.02 0.71 -0.06 -1.28 0.09 0.00 0.00 178.44 177.88 3iq7 h SER 543 N 0.30 0.00 0.74 -0.43 0.87 -0.95 -2.57 113.55 111.52 3iq7 h SER 543 Ca 0.03 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 3iq7 h SER 543 Cb 0.78 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.74 3iq7 h SER 543 CO 0.06 0.06 -0.07 -0.07 -0.53 0.00 0.00 176.83 176.28 3iq7 h LEU 544 N 0.00 0.00 -2.28 2.23 3.38 -1.27 -3.26 115.31 114.12 3iq7 h LEU 544 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3iq7 h LEU 544 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3iq7 h LEU 544 CO 0.01 0.07 -0.05 -0.07 0.09 0.00 0.00 178.44 178.49 3iq7 h LEU 545 N 0.00 0.00 -1.66 1.67 3.38 -1.54 -1.87 115.31 115.29 3iq7 h LEU 545 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3iq7 h LEU 545 Cb 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3iq7 h LEU 545 CO 0.01 0.05 -0.06 0.77 0.09 0.00 0.00 178.44 179.30 3iq7 h SER 546 N 0.00 0.00 -0.02 -0.43 4.64 -1.50 -2.21 113.55 114.03 3iq7 h SER 546 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iq7 h SER 546 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3iq7 h SER 546 CO 0.01 0.06 -0.03 0.61 -0.87 0.00 0.00 176.83 176.60 3iq7 n GLY 547 N -0.18 -0.14 3.25 -0.77 0.00 -0.71 -4.78 105.19 101.86 3iq7 n GLY 547 Ca -0.00 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 3iq7 n GLY 547 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iq7 n GLU 548 N 0.61 -1.51 0.05 1.61 -0.58 -1.15 -5.06 120.64 114.60 3iq7 n GLU 548 Ca 0.07 -1.71 0.00 0.00 -0.42 0.00 0.00 57.16 55.10 3iq7 n GLU 548 Cb 0.32 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 29.95 3iq7 n GLU 548 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3iq7 n VAL 549 N -3.80 0.73 -0.12 2.62 0.31 -1.26 -4.64 118.33 112.18 3iq7 n VAL 549 Ca 0.14 0.24 -0.13 0.00 -0.01 0.00 0.00 64.34 64.59 3iq7 n VAL 549 Cb 0.50 -1.37 -0.01 0.00 -0.91 0.00 0.00 33.84 32.04 3iq7 n VAL 549 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3iq7 s ASN 551 N -6.84 3.92 -0.03 0.00 0.01 -1.25 -0.50 114.94 110.24 3iq7 s ASN 551 Ca -0.11 -2.42 0.06 0.00 -0.71 0.00 0.00 52.86 49.68 3iq7 s ASN 551 Cb 0.11 -1.13 -0.01 0.00 0.41 0.00 0.00 41.25 40.63 3iq7 s ASN 551 CO 0.88 -0.31 -0.21 -0.60 -1.51 0.00 0.00 177.10 175.35 3iq7 s ARG 552 N 0.60 1.96 -0.12 -0.60 3.52 -0.14 -4.68 118.95 119.48 3iq7 s ARG 552 Ca 0.15 -0.76 -0.29 0.00 -0.13 0.00 0.00 55.73 54.70 3iq7 s ARG 552 Cb -0.23 -1.78 0.07 0.00 -1.56 0.00 0.00 34.95 31.46 3iq7 s ARG 552 CO -0.06 0.39 0.72 -0.08 -0.81 0.00 0.00 175.30 175.46 3iq7 s THR 553 N -0.28 0.00 -1.62 4.11 -1.32 -0.84 -0.94 115.64 114.75 3iq7 s THR 553 Ca 0.02 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.66 3iq7 s THR 553 Cb -0.11 -1.00 0.54 0.00 -1.51 0.00 0.00 72.50 70.43 3iq7 s THR 553 CO 0.01 0.00 1.44 -0.62 -2.21 0.00 0.00 174.62 173.24 3iq7 n GLU 554 N 1.45 2.76 0.00 7.08 1.02 -1.26 -2.32 120.64 129.36 3iq7 n GLU 554 Ca -0.17 -2.18 0.15 0.00 -0.02 0.00 0.00 57.16 54.93 3iq7 n GLU 554 Cb 0.56 -1.61 0.82 0.00 -0.02 0.00 0.00 31.44 31.20 3iq7 n GLU 554 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iq7 n GLY 555 N 1.20 -1.04 3.52 0.62 0.00 -1.26 -4.69 105.19 103.54 3iq7 n GLY 555 Ca 0.20 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3iq7 n GLY 555 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iq7 s PHE 556 N -2.21 2.72 0.34 1.61 0.08 -1.26 -0.55 117.98 118.70 3iq7 s PHE 556 Ca 0.38 -0.15 -0.29 0.00 0.12 0.00 0.00 56.93 56.99 3iq7 s PHE 556 Cb 0.20 -1.53 -0.11 0.00 -0.57 0.00 0.00 43.02 41.00 3iq7 s PHE 556 CO 0.38 0.31 1.51 1.51 -0.10 0.00 0.00 175.22 178.82 3iq7 n ILE 557 N 1.54 1.63 -2.46 0.64 0.13 -0.91 -4.83 119.36 115.11 3iq7 n ILE 557 Ca -0.16 -0.41 -0.41 0.00 -1.10 0.00 0.00 62.75 60.67 3iq7 n ILE 557 Cb 0.52 -1.92 -0.04 0.00 -0.84 0.00 0.00 39.64 37.37 3iq7 n ILE 557 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 3iq7 s GLY 558 N 0.08 2.67 -0.26 4.50 0.00 -1.26 -4.36 107.32 108.69 3iq7 s GLY 558 Ca 0.57 0.85 -0.09 0.00 0.00 0.00 0.00 44.72 46.06 3iq7 s GLY 558 CO 0.58 1.82 0.12 -2.27 0.00 0.00 0.00 173.10 173.35 3iq7 s LEU 559 N 0.13 3.70 -0.12 0.66 2.96 -1.26 -1.16 118.68 123.59 3iq7 s LEU 559 Ca 0.53 -0.11 -0.18 0.00 -0.22 0.00 0.00 54.13 54.16 3iq7 s LEU 559 Cb -0.30 -2.00 -0.26 0.00 0.50 0.00 0.00 46.19 44.13 3iq7 s LEU 559 CO 0.33 -0.03 0.53 0.78 -1.32 0.00 0.00 176.35 176.65 3iq7 h ASN 560 N 8.18 0.30 -4.97 3.68 2.35 -1.05 -3.48 115.58 120.58 3iq7 h ASN 560 Ca -0.37 -0.82 0.09 0.00 -0.55 0.00 0.00 56.30 54.65 3iq7 h ASN 560 Cb 1.18 -0.10 -0.11 0.00 0.05 0.00 0.00 38.32 39.34 3iq7 h ASN 560 CO 0.58 1.55 0.37 -0.94 -1.65 0.00 0.00 177.43 177.34 3iq7 s SER 561 N -6.94 -0.35 -0.02 5.81 1.04 -1.12 -5.01 113.70 107.11 3iq7 s SER 561 Ca -0.21 -0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.03 3iq7 s SER 561 Cb 0.04 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.69 3iq7 s SER 561 CO 0.74 -0.91 -0.07 -0.69 0.98 0.00 0.00 173.24 173.29 3iq7 s VAL 562 N -3.46 0.60 0.05 5.02 1.01 -1.26 -1.07 120.40 121.29 3iq7 s VAL 562 Ca 0.07 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.80 3iq7 s VAL 562 Cb -0.02 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 3iq7 s VAL 562 CO -0.04 0.20 -0.05 -1.00 0.00 0.00 0.00 175.10 174.21 3iq7 s HIS 563 N 0.28 0.55 -0.24 5.22 3.76 -0.59 -4.99 115.29 119.27 3iq7 s HIS 563 Ca -0.04 -0.68 -0.07 0.00 -0.15 0.00 0.00 55.06 54.12 3iq7 s HIS 563 Cb -0.08 -0.35 -0.03 0.00 1.11 0.00 0.00 32.58 33.23 3iq7 s HIS 563 CO 0.00 -0.18 0.06 0.00 -0.85 0.00 0.00 174.74 173.77 3iq7 s VAL 565 N 1.56 2.72 -0.07 0.00 -7.23 -0.18 -1.60 120.40 115.60 3iq7 s VAL 565 Ca 0.06 -1.33 0.04 0.00 -1.81 0.00 0.00 61.98 58.94 3iq7 s VAL 565 Cb -0.15 -2.17 -0.00 0.00 0.56 0.00 0.00 36.38 34.62 3iq7 s VAL 565 CO 0.03 0.26 -0.19 -1.58 -0.31 0.00 0.00 175.10 173.31 3iq7 s GLN 566 N -1.66 2.24 0.00 4.82 0.74 -0.07 -0.40 119.66 125.33 3iq7 s GLN 566 Ca 0.15 -0.69 0.00 0.00 0.05 0.00 0.00 55.36 54.87 3iq7 s GLN 566 Cb -0.10 -1.83 0.00 0.00 1.10 0.00 0.00 33.01 32.18 3iq7 s GLN 566 CO 0.06 0.21 0.00 0.41 -0.55 0.00 0.00 175.29 175.42 3iq7 n GLY 567 N 3.35 0.42 3.86 2.59 0.00 -0.08 -3.75 105.19 111.59 3iq7 n GLY 567 Ca -0.19 -1.28 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 3iq7 n GLY 567 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iq7 s SER 568 N 0.00 5.39 0.18 1.61 1.04 -1.19 -4.11 113.70 116.63 3iq7 s SER 568 Ca 0.00 1.24 -0.31 0.00 0.48 0.00 0.00 55.95 57.36 3iq7 s SER 568 Cb 0.00 -2.07 -0.09 0.00 0.10 0.00 0.00 66.02 63.96 3iq7 s SER 568 CO 0.00 -1.39 1.41 -0.47 0.98 0.00 0.00 173.24 173.77 3iq7 s TYR 569 N -3.27 3.15 0.22 5.02 5.04 -1.26 -4.92 117.35 121.33 3iq7 s TYR 569 Ca 0.58 0.99 -0.32 0.00 -2.44 0.00 0.00 57.07 55.88 3iq7 s TYR 569 Cb -0.12 -3.74 -0.13 0.00 0.35 0.00 0.00 41.96 38.32 3iq7 s TYR 569 CO 0.53 -2.51 1.58 -2.30 -1.34 0.00 0.00 175.55 171.51 3iq7 n PRO 570 N 3.14 2.41 -0.26 4.97 -0.02 -1.26 -4.87 135.00 139.11 3iq7 n PRO 570 Ca 0.09 0.87 0.23 0.00 -2.02 0.00 0.00 63.50 62.66 3iq7 n PRO 570 Cb 0.41 -2.63 0.56 0.00 -0.02 0.00 0.00 33.50 31.81 3iq7 n PRO 570 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3iq7 h PRO 571 N 5.51 0.31 -0.13 0.52 0.11 -2.00 -0.30 132.00 136.03 3iq7 h PRO 571 Ca -0.45 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 3iq7 h PRO 571 Cb 1.24 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3iq7 h PRO 571 CO 0.86 0.20 -0.40 -0.07 -0.21 0.00 0.00 178.00 178.38 3iq7 h LEU 572 N 0.32 0.31 -0.65 2.35 3.38 -1.93 -0.36 115.31 118.72 3iq7 h LEU 572 Ca 0.51 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 58.22 3iq7 h LEU 572 Cb 1.42 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 3iq7 h LEU 572 CO -0.18 0.69 -0.29 -0.07 0.09 0.00 0.00 178.44 178.68 3iq7 h LEU 573 N 0.25 0.77 -1.00 1.67 3.38 -1.40 -2.14 115.31 116.84 3iq7 h LEU 573 Ca 0.02 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 3iq7 h LEU 573 Cb 0.83 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3iq7 h LEU 573 CO 0.07 1.01 0.12 -0.07 0.09 0.00 0.00 178.44 179.66 3iq7 h LEU 574 N 0.64 0.79 -0.31 1.67 3.38 -0.48 0.20 115.31 121.20 3iq7 h LEU 574 Ca 0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3iq7 h LEU 574 Cb 0.81 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3iq7 h LEU 574 CO 0.07 0.78 0.16 0.50 0.09 0.00 0.00 178.44 180.04 3iq7 h LYS 575 N 0.82 0.45 -0.90 1.13 3.64 -0.94 0.21 116.57 120.97 3iq7 h LYS 575 Ca 0.18 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3iq7 h LYS 575 Cb 0.31 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 3iq7 h LYS 575 CO 0.00 0.41 0.55 0.00 -2.27 0.00 0.00 179.45 178.14 3iq7 h ALA 576 N 1.02 1.15 -0.37 5.00 0.00 -1.08 -1.15 119.26 123.82 3iq7 h ALA 576 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3iq7 h ALA 576 Cb 0.10 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3iq7 h ALA 576 CO -0.01 0.59 0.24 2.35 0.00 0.00 0.00 179.25 182.42 3iq7 h TRP 577 N 1.24 0.47 -0.73 0.00 7.01 -0.15 -2.34 115.95 121.45 3iq7 h TRP 577 Ca 0.32 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.31 3iq7 h TRP 577 Cb -0.07 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 26.80 3iq7 h TRP 577 CO -0.00 0.31 0.37 -0.44 -2.79 0.00 0.00 178.44 175.89 3iq7 h ASP 578 N 0.50 0.93 -0.75 2.65 3.32 -0.23 -1.28 116.42 121.56 3iq7 h ASP 578 Ca 0.13 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 3iq7 h ASP 578 Cb -0.04 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 3iq7 h ASP 578 CO -0.03 0.79 0.26 -0.74 -1.72 0.00 0.00 179.24 177.80 3iq7 h HIS 579 N 1.01 1.19 -0.60 4.55 2.76 -1.03 0.38 115.15 123.40 3iq7 h HIS 579 Ca 0.25 -0.11 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 3iq7 h HIS 579 Cb 0.09 -0.35 -0.03 0.00 1.55 0.00 0.00 27.41 28.68 3iq7 h HIS 579 CO 0.00 0.93 0.24 -0.92 -1.30 0.00 0.00 177.93 176.88 3iq7 h TYR 580 N 1.11 0.92 -0.47 5.26 3.20 -1.16 -1.48 116.97 124.35 3iq7 h TYR 580 Ca 0.24 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 3iq7 h TYR 580 Cb 0.28 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 3iq7 h TYR 580 CO 0.02 0.73 0.08 -0.97 -1.64 0.00 0.00 178.16 176.39 3iq7 h ASN 581 N 0.84 0.67 0.68 -2.11 -1.24 -0.41 0.33 115.58 114.34 3iq7 h ASN 581 Ca 0.20 -0.12 -0.15 0.00 0.71 0.00 0.00 56.30 56.94 3iq7 h ASN 581 Cb 0.20 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.06 3iq7 h ASN 581 CO -0.02 0.69 -0.72 0.28 -1.29 0.00 0.00 177.43 176.37 3iq7 h SER 582 N 0.70 0.04 0.01 1.15 0.02 -0.74 -2.23 113.55 112.50 3iq7 h SER 582 Ca 0.15 -0.03 -0.40 0.00 -0.84 0.00 0.00 61.79 60.68 3iq7 h SER 582 Cb 0.31 -0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.78 3iq7 h SER 582 CO 0.00 0.74 -2.25 0.35 -1.14 0.00 0.00 176.83 174.54 3iq7 n THR 583 N -3.70 1.55 0.21 -2.27 -2.24 -0.57 -4.75 114.28 102.50 3iq7 n THR 583 Ca -0.01 -0.40 0.07 0.00 -2.27 0.00 0.00 64.05 61.44 3iq7 n THR 583 Cb 0.70 -1.78 -0.10 0.00 -2.10 0.00 0.00 70.33 67.05 3iq7 n THR 583 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3iq7 n LYS 584 N -3.96 1.13 -0.05 -0.78 5.02 0.11 -5.09 118.16 114.55 3iq7 n LYS 584 Ca -0.46 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 55.74 3iq7 n LYS 584 Cb 0.89 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.64 3iq7 n LYS 584 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iq7 n GLY 585 N 1.58 -2.94 3.27 0.72 0.00 -0.84 -4.99 105.19 101.99 3iq7 n GLY 585 Ca -0.01 -1.21 -0.26 0.00 0.00 0.00 0.00 46.02 44.54 3iq7 n GLY 585 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iq7 s SER 586 N -2.52 2.58 0.00 1.61 0.15 -1.26 -4.74 113.70 109.52 3iq7 s SER 586 Ca 0.00 -0.59 0.22 0.00 0.70 0.00 0.00 55.95 56.29 3iq7 s SER 586 Cb 0.00 -0.19 0.59 0.00 -1.71 0.00 0.00 66.02 64.71 3iq7 s SER 586 CO 0.00 0.14 1.48 0.00 1.20 0.00 0.00 173.24 176.06 3iq7 n ALA 587 N 1.57 2.48 -2.92 5.45 0.00 -1.26 -5.00 120.51 120.83 3iq7 n ALA 587 Ca -0.18 -0.71 -0.22 0.00 0.00 0.00 0.00 53.44 52.33 3iq7 n ALA 587 Cb 0.53 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 3iq7 n ALA 587 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3iq7 s ASN 588 N -1.58 6.08 0.21 0.00 -0.87 -1.26 -4.97 114.94 112.55 3iq7 s ASN 588 Ca 0.35 -0.01 -0.30 0.00 -1.57 0.00 0.00 52.86 51.32 3iq7 s ASN 588 Cb 0.20 -1.73 -0.09 0.00 -0.02 0.00 0.00 41.25 39.61 3iq7 s ASN 588 CO 0.29 -0.05 1.36 -1.81 -2.57 0.00 0.00 177.10 174.32 3iq7 s ASP 589 N -3.84 6.81 -0.01 -1.22 1.01 -1.26 -4.97 116.67 113.18 3iq7 s ASP 589 Ca 0.34 2.49 -0.35 0.00 0.71 0.00 0.00 52.55 55.73 3iq7 s ASP 589 Cb -0.09 -2.61 -0.14 0.00 1.01 0.00 0.00 42.92 41.09 3iq7 s ASP 589 CO 0.28 -0.60 1.69 -1.14 0.21 0.00 0.00 175.17 175.61 3iq7 n ARG 590 N 2.61 1.89 -1.54 8.23 0.63 -1.26 -4.85 116.66 122.38 3iq7 n ARG 590 Ca 0.07 0.69 -0.32 0.00 -0.92 0.00 0.00 57.85 57.37 3iq7 n ARG 590 Cb 0.42 -2.46 -0.05 0.00 0.45 0.00 0.00 32.46 30.82 3iq7 n ARG 590 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3iq7 n PRO 591 N 4.83 3.43 -0.06 -0.14 -0.04 -1.26 -4.40 135.00 137.37 3iq7 n PRO 591 Ca 0.21 -2.47 0.06 0.00 -0.04 0.00 0.00 63.50 61.26 3iq7 n PRO 591 Cb 0.26 -2.45 0.08 0.00 -0.04 0.00 0.00 33.50 31.34 3iq7 n PRO 591 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3iq7 n ASP 592 N 2.13 2.29 -1.13 3.54 5.68 -1.26 -4.48 116.55 123.33 3iq7 n ASP 592 Ca 0.60 -1.64 0.12 0.00 -0.50 0.00 0.00 54.79 53.37 3iq7 n ASP 592 Cb 0.43 -0.07 0.20 0.00 -1.14 0.00 0.00 41.12 40.53 3iq7 n ASP 592 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 3iq7 n PHE 593 N 0.64 0.43 -2.79 2.11 -1.74 -1.26 -4.96 117.46 109.89 3iq7 n PHE 593 Ca 0.09 -0.22 -0.40 0.00 -0.56 0.00 0.00 57.45 56.36 3iq7 n PHE 593 Cb 0.34 -0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.28 3iq7 n PHE 593 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 3iq7 s PHE 594 N -1.55 3.96 0.60 2.97 0.08 -1.26 -5.04 117.98 117.73 3iq7 s PHE 594 Ca 0.37 1.87 -0.03 0.00 0.12 0.00 0.00 56.93 59.25 3iq7 s PHE 594 Cb 0.22 -2.94 0.03 0.00 -0.57 0.00 0.00 43.02 39.76 3iq7 s PHE 594 CO 0.31 0.46 0.87 0.15 -0.10 0.00 0.00 175.22 176.91 3iq7 s LYS 595 N -1.22 2.62 0.00 0.44 -0.14 -1.26 -4.45 119.74 115.72 3iq7 s LYS 595 Ca 0.41 -0.34 0.10 0.00 -1.36 0.00 0.00 55.97 54.77 3iq7 s LYS 595 Cb -0.25 -2.33 0.43 0.00 -1.68 0.00 0.00 37.83 33.99 3iq7 s LYS 595 CO 0.31 -0.81 1.31 -0.40 -0.76 0.00 0.00 175.35 175.00 3iq7 n ASP 596 N -2.56 0.00 -0.88 2.83 5.75 -1.26 -1.63 116.55 118.80 3iq7 n ASP 596 Ca 0.06 0.48 0.12 0.00 -0.01 0.00 0.00 54.79 55.44 3iq7 n ASP 596 Cb 0.59 -0.49 0.23 0.00 -1.03 0.00 0.00 41.12 40.42 3iq7 n ASP 596 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3iq7 n ASP 597 N -1.49 2.71 -4.75 -1.12 5.75 -1.26 -3.41 116.55 112.98 3iq7 n ASP 597 Ca 0.03 -1.88 -0.41 0.00 -0.01 0.00 0.00 54.79 52.51 3iq7 n ASP 597 Cb 0.11 -0.06 -0.02 0.00 -1.03 0.00 0.00 41.12 40.12 3iq7 n ASP 597 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 3iq7 s GLN 598 N -1.87 4.14 -0.04 0.11 2.00 -0.65 -4.72 119.66 118.63 3iq7 s GLN 598 Ca 0.33 2.54 -0.10 0.00 -2.00 0.00 0.00 55.36 56.12 3iq7 s GLN 598 Cb 0.21 -3.03 -0.05 0.00 0.80 0.00 0.00 33.01 30.93 3iq7 s GLN 598 CO 0.31 -0.59 0.28 -0.51 -0.50 0.00 0.00 175.29 174.27 3iq7 s LEU 599 N -0.58 4.42 0.10 3.68 1.43 -1.26 -0.90 118.68 125.58 3iq7 s LEU 599 Ca 0.62 0.70 0.06 0.00 -1.03 0.00 0.00 54.13 54.48 3iq7 s LEU 599 Cb -0.47 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 3iq7 s LEU 599 CO 0.48 0.34 -0.15 -0.36 0.23 0.00 0.00 176.35 176.90 3iq7 s PHE 600 N -1.10 1.37 -0.12 0.29 0.08 0.47 -1.29 117.98 117.67 3iq7 s PHE 600 Ca 0.21 -0.51 -0.16 0.00 0.12 0.00 0.00 56.93 56.59 3iq7 s PHE 600 Cb -0.14 -0.74 -0.05 0.00 -0.57 0.00 0.00 43.02 41.52 3iq7 s PHE 600 CO 0.10 0.12 0.40 0.42 -0.10 0.00 0.00 175.22 176.15 3iq7 s ILE 601 N -1.71 5.22 -0.25 0.64 -1.09 0.78 -1.01 121.20 123.77 3iq7 s ILE 601 Ca 0.04 0.78 0.01 0.00 -2.23 0.00 0.00 60.65 59.26 3iq7 s ILE 601 Cb -0.07 -3.73 0.05 0.00 -1.58 0.00 0.00 42.46 37.12 3iq7 s ILE 601 CO 0.03 0.38 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.33 3iq7 s VAL 602 N 0.35 2.36 -0.25 2.92 1.01 0.07 -1.17 120.40 125.69 3iq7 s VAL 602 Ca 0.22 -1.43 -0.08 0.00 0.00 0.00 0.00 61.98 60.68 3iq7 s VAL 602 Cb -0.14 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3iq7 s VAL 602 CO 0.08 0.06 0.10 -0.76 0.00 0.00 0.00 175.10 174.59 3iq7 s LEU 603 N 1.18 3.65 -0.32 3.92 1.02 0.00 -1.54 118.68 126.60 3iq7 s LEU 603 Ca -0.05 -0.11 -0.09 0.00 0.02 0.00 0.00 54.13 53.89 3iq7 s LEU 603 Cb -0.19 -1.98 0.00 0.00 0.02 0.00 0.00 46.19 44.04 3iq7 s LEU 603 CO -0.05 -0.01 0.15 -0.70 0.02 0.00 0.00 176.35 175.76 3iq7 s GLU 604 N 1.47 3.20 0.26 1.70 2.12 -0.23 -0.95 118.70 126.26 3iq7 s GLU 604 Ca 0.06 -0.81 0.08 0.00 0.36 0.00 0.00 54.97 54.66 3iq7 s GLU 604 Cb -0.15 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.65 3iq7 s GLU 604 CO 0.05 -0.47 0.13 -0.06 -0.54 0.00 0.00 175.26 174.37 3iq7 s PHE 605 N 1.58 2.96 0.41 5.30 0.08 0.74 -0.39 117.98 128.65 3iq7 s PHE 605 Ca 0.04 -0.15 -0.26 0.00 0.12 0.00 0.00 56.93 56.68 3iq7 s PHE 605 Cb -0.17 -1.33 -0.10 0.00 -0.57 0.00 0.00 43.02 40.85 3iq7 s PHE 605 CO 0.06 0.55 1.29 0.39 -0.10 0.00 0.00 175.22 177.41 3iq7 n GLU 606 N -1.08 2.00 -2.32 0.44 1.02 -0.31 -0.99 120.64 119.40 3iq7 n GLU 606 Ca -0.07 0.71 -0.43 0.00 -0.02 0.00 0.00 57.16 57.35 3iq7 n GLU 606 Cb 0.58 -2.40 -0.02 0.00 -0.02 0.00 0.00 31.44 29.58 3iq7 n GLU 606 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3iq7 s PHE 607 N -1.18 2.60 -2.97 -0.32 5.36 -1.24 -4.41 117.98 115.81 3iq7 s PHE 607 Ca 0.60 0.79 0.24 0.00 -0.96 0.00 0.00 56.93 57.60 3iq7 s PHE 607 Cb -0.51 -3.67 0.21 0.00 -0.34 0.00 0.00 43.02 38.72 3iq7 s PHE 607 CO 0.59 -2.23 1.27 0.41 -1.46 0.00 0.00 175.22 173.80 3iq7 n GLY 608 N 3.87 0.95 0.00 13.12 0.00 -1.26 -5.00 105.19 116.88 3iq7 n GLY 608 Ca 0.15 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3iq7 n GLY 608 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iq7 n GLY 609 N 1.35 0.44 3.33 -0.02 0.00 -1.26 -3.90 105.19 105.12 3iq7 n GLY 609 Ca 0.14 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 3iq7 n GLY 609 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iq7 s ILE 610 N 0.00 2.62 0.66 -0.61 -1.09 -0.48 -4.81 121.20 117.49 3iq7 s ILE 610 Ca 0.00 -0.84 -0.17 0.00 -2.23 0.00 0.00 60.65 57.41 3iq7 s ILE 610 Cb 0.00 -2.04 0.00 0.00 -1.58 0.00 0.00 42.46 38.85 3iq7 s ILE 610 CO 0.00 0.55 1.22 1.51 -1.23 0.00 0.00 174.94 177.00 3iq7 s ASP 611 N 0.05 4.65 0.24 3.58 1.47 -1.26 -0.91 116.67 124.50 3iq7 s ASP 611 Ca -0.07 2.41 -0.05 0.00 1.18 0.00 0.00 52.55 56.02 3iq7 s ASP 611 Cb -0.15 -2.60 0.37 0.00 -0.34 0.00 0.00 42.92 40.20 3iq7 s ASP 611 CO 0.05 -1.96 1.83 0.25 0.68 0.00 0.00 175.17 176.02 3iq7 h LEU 612 N 0.29 0.74 -0.44 2.11 5.85 -0.35 -1.35 115.31 122.17 3iq7 h LEU 612 Ca -0.49 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.35 3iq7 h LEU 612 Cb 1.30 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 42.14 3iq7 h LEU 612 CO 0.52 0.45 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.94 3iq7 h GLU 613 N 0.86 0.05 0.00 1.25 4.81 -1.78 -0.74 114.58 119.03 3iq7 h GLU 613 Ca 0.38 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 3iq7 h GLU 613 Cb 0.28 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3iq7 h GLU 613 CO -0.21 0.04 0.00 1.96 -0.73 0.00 0.00 179.01 180.06 3iq7 h GLN 614 N 0.05 0.00 -0.47 1.92 4.20 -1.66 -2.46 115.11 116.69 3iq7 h GLN 614 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3iq7 h GLN 614 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 3iq7 h GLN 614 CO -0.41 0.00 0.00 -1.33 -0.67 0.00 0.00 178.83 176.42 3iq7 n MET 615 N -2.83 2.24 0.30 1.46 2.81 -0.40 -4.60 117.12 116.10 3iq7 n MET 615 Ca 0.02 -1.92 0.17 0.00 -1.81 0.00 0.00 57.70 54.16 3iq7 n MET 615 Cb 0.32 -1.44 0.97 0.00 -0.71 0.00 0.00 33.22 32.35 3iq7 n MET 615 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 3iq7 h ARG 616 N 3.31 0.00 -0.52 0.03 0.11 -0.74 0.48 114.38 117.05 3iq7 h ARG 616 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3iq7 h ARG 616 Cb 0.75 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.83 3iq7 h ARG 616 CO 0.00 0.02 0.00 0.25 0.10 0.00 0.00 179.97 180.34 3iq7 n THR 617 N -3.56 0.79 0.18 0.08 -2.24 -1.26 -0.86 114.28 107.41 3iq7 n THR 617 Ca -0.03 -0.90 0.02 0.00 -2.27 0.00 0.00 64.05 60.88 3iq7 n THR 617 Cb 0.11 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 3iq7 n THR 617 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3iq7 n LYS 618 N 1.35 2.39 -2.73 -0.78 4.76 0.16 -4.75 118.16 118.57 3iq7 n LYS 618 Ca 0.20 -0.41 -0.33 0.00 -2.87 0.00 0.00 58.31 54.90 3iq7 n LYS 618 Cb 0.57 -0.90 -0.06 0.00 -1.84 0.00 0.00 35.03 32.80 3iq7 n LYS 618 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3iq7 s LEU 619 N -1.18 3.90 0.04 -0.35 1.43 -1.22 -4.90 118.68 116.40 3iq7 s LEU 619 Ca 0.03 1.74 -0.23 0.00 -1.03 0.00 0.00 54.13 54.65 3iq7 s LEU 619 Cb 0.03 -4.54 -0.15 0.00 0.03 0.00 0.00 46.19 41.56 3iq7 s LEU 619 CO 0.10 -0.47 1.45 -1.28 0.23 0.00 0.00 176.35 176.38 3iq7 h SER 620 N 1.77 0.16 -1.65 2.29 0.87 -1.95 -2.25 113.55 112.79 3iq7 h SER 620 Ca -0.49 -0.33 0.05 0.00 -1.23 0.00 0.00 61.79 59.79 3iq7 h SER 620 Cb 1.19 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.10 3iq7 h SER 620 CO 0.61 0.45 0.23 -1.54 -0.53 0.00 0.00 176.83 176.05 3iq7 n SER 621 N -4.81 -0.91 0.28 6.23 3.41 -1.26 0.14 113.62 116.69 3iq7 n SER 621 Ca -0.06 -1.54 0.17 0.00 -0.26 0.00 0.00 58.87 57.18 3iq7 n SER 621 Cb 0.21 1.49 0.72 0.00 -0.26 0.00 0.00 64.21 66.37 3iq7 n SER 621 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3iq7 h LEU 622 N 0.00 0.00 -0.87 1.04 -0.00 -1.94 -2.40 115.31 111.14 3iq7 h LEU 622 Ca -0.14 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.70 3iq7 h LEU 622 Cb 0.57 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.20 3iq7 h LEU 622 CO 0.18 0.04 0.32 0.00 -0.00 0.00 0.00 178.44 178.98 3iq7 h ALA 623 N 1.96 1.11 -0.79 1.53 0.00 -1.95 -1.34 119.26 119.78 3iq7 h ALA 623 Ca -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3iq7 h ALA 623 Cb 0.47 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3iq7 h ALA 623 CO 0.00 0.64 0.38 1.15 0.00 0.00 0.00 179.25 181.43 3iq7 h THR 624 N 1.12 1.25 -0.71 0.00 2.02 -1.81 -1.79 112.91 112.98 3iq7 h THR 624 Ca 0.26 -0.69 -0.07 0.00 0.77 0.00 0.00 66.41 66.68 3iq7 h THR 624 Cb 0.19 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 3iq7 h THR 624 CO -0.02 0.29 0.17 0.00 0.37 0.00 0.00 175.52 176.33 3iq7 h ALA 625 N 1.29 0.94 -0.16 6.16 0.00 -1.38 -0.51 119.26 125.60 3iq7 h ALA 625 Ca 0.27 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3iq7 h ALA 625 Cb 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3iq7 h ALA 625 CO -0.03 0.67 0.09 -0.22 0.00 0.00 0.00 179.25 179.76 3iq7 h LYS 626 N 1.08 0.21 -0.63 0.00 3.64 -0.82 -0.43 116.57 119.62 3iq7 h LYS 626 Ca 0.22 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.63 3iq7 h LYS 626 Cb 0.38 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.11 3iq7 h LYS 626 CO 0.00 0.18 0.37 1.03 -2.27 0.00 0.00 179.45 178.76 3iq7 h SER 627 N 0.18 0.58 -0.59 4.20 0.87 -0.93 -0.77 113.55 117.10 3iq7 h SER 627 Ca 0.06 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 3iq7 h SER 627 Cb 0.02 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 3iq7 h SER 627 CO -0.01 0.39 0.31 0.40 -0.53 0.00 0.00 176.83 177.39 3iq7 h ILE 628 N 0.71 1.20 -0.60 2.23 2.04 -0.76 -0.03 117.51 122.29 3iq7 h ILE 628 Ca 0.27 -0.51 -0.09 0.00 1.00 0.00 0.00 64.86 65.53 3iq7 h ILE 628 Cb 0.10 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3iq7 h ILE 628 CO -0.14 0.21 0.01 -0.07 0.00 0.00 0.00 178.15 178.17 3iq7 h LEU 629 N 0.79 1.02 -0.40 1.44 3.38 -0.83 -1.56 115.31 119.15 3iq7 h LEU 629 Ca 0.20 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3iq7 h LEU 629 Cb 0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3iq7 h LEU 629 CO -0.03 1.06 0.07 -0.74 0.09 0.00 0.00 178.44 178.89 3iq7 h HIS 630 N 0.96 0.70 -0.40 1.13 2.76 -0.76 -0.61 115.15 118.92 3iq7 h HIS 630 Ca 0.17 -0.09 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 3iq7 h HIS 630 Cb 0.53 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.28 3iq7 h HIS 630 CO 0.04 0.68 0.19 1.96 -1.30 0.00 0.00 177.93 179.50 3iq7 h GLN 631 N 0.51 0.58 -0.45 5.26 4.20 -0.86 -0.38 115.11 123.96 3iq7 h GLN 631 Ca 0.12 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 3iq7 h GLN 631 Cb 0.36 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 3iq7 h GLN 631 CO 0.01 0.50 0.11 -0.07 -0.67 0.00 0.00 178.83 178.72 3iq7 h LEU 632 N 0.51 0.67 -0.47 1.46 3.38 -1.17 -0.32 115.31 119.37 3iq7 h LEU 632 Ca 0.14 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3iq7 h LEU 632 Cb 0.12 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3iq7 h LEU 632 CO -0.02 0.72 0.23 0.74 0.09 0.00 0.00 178.44 180.20 3iq7 h THR 633 N 0.59 1.19 -0.41 0.22 2.02 -0.96 -1.44 112.91 114.11 3iq7 h THR 633 Ca 0.14 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 3iq7 h THR 633 Cb 0.31 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 3iq7 h THR 633 CO 0.00 0.21 0.23 0.00 0.37 0.00 0.00 175.52 176.32 3iq7 h ALA 634 N 1.07 0.52 -0.30 6.16 0.00 -0.95 -1.09 119.26 124.67 3iq7 h ALA 634 Ca 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3iq7 h ALA 634 Cb 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3iq7 h ALA 634 CO -0.02 0.05 0.16 0.77 0.00 0.00 0.00 179.25 180.20 3iq7 h SER 635 N 0.53 0.39 -0.44 0.00 0.02 -0.89 -1.12 113.55 112.04 3iq7 h SER 635 Ca 0.14 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 3iq7 h SER 635 Cb 0.05 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 3iq7 h SER 635 CO -0.02 0.38 0.13 -0.07 -1.14 0.00 0.00 176.83 176.11 3iq7 h LEU 636 N 0.37 0.70 -0.30 5.07 3.38 -1.16 -1.97 115.31 121.39 3iq7 h LEU 636 Ca 0.11 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3iq7 h LEU 636 Cb 0.08 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3iq7 h LEU 636 CO -0.02 0.68 0.09 0.00 0.09 0.00 0.00 178.44 179.28 3iq7 h ALA 637 N 1.41 0.40 -0.86 1.53 0.00 -0.80 0.22 119.26 121.15 3iq7 h ALA 637 Ca 0.17 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iq7 h ALA 637 Cb 0.26 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3iq7 h ALA 637 CO -0.00 0.04 0.53 0.28 0.00 0.00 0.00 179.25 180.10 3iq7 h VAL 638 N 0.33 1.24 -0.11 0.00 2.07 -1.03 0.82 116.25 119.57 3iq7 h VAL 638 Ca 0.10 -0.50 -0.14 0.00 0.82 0.00 0.00 66.70 66.97 3iq7 h VAL 638 Cb 0.27 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 3iq7 h VAL 638 CO -0.00 0.24 -0.56 0.00 0.02 0.00 0.00 177.57 177.28 3iq7 h ALA 639 N 1.29 0.84 -0.04 1.67 0.00 -1.10 -0.96 119.26 120.96 3iq7 h ALA 639 Ca 0.31 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3iq7 h ALA 639 Cb -0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3iq7 h ALA 639 CO -0.06 0.69 0.03 0.93 0.00 0.00 0.00 179.25 180.84 3iq7 h GLU 640 N 0.26 0.05 -0.28 0.00 5.08 -0.25 0.22 114.58 119.66 3iq7 h GLU 640 Ca 0.00 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3iq7 h GLU 640 Cb 1.06 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 3iq7 h GLU 640 CO 0.09 0.06 0.17 0.00 -1.00 0.00 0.00 179.01 178.33 3iq7 h ALA 641 N 0.99 0.36 0.11 3.43 0.00 -0.60 0.09 119.26 123.65 3iq7 h ALA 641 Ca 0.01 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.61 3iq7 h ALA 641 Cb 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3iq7 h ALA 641 CO -0.00 -0.14 -1.20 0.66 0.00 0.00 0.00 179.25 178.57 3iq7 h SER 642 N 0.36 0.42 0.00 0.00 4.64 -1.18 -3.41 113.55 114.39 3iq7 h SER 642 Ca 0.10 -0.44 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3iq7 h SER 642 Cb 0.01 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3iq7 h SER 642 CO -0.02 1.33 0.00 0.18 -0.87 0.00 0.00 176.83 177.45 3iq7 n LEU 643 N -3.55 0.14 -3.90 5.97 4.77 0.03 -4.99 117.00 115.47 3iq7 n LEU 643 Ca -0.08 -0.14 -0.24 0.00 -0.03 0.00 0.00 56.01 55.51 3iq7 n LEU 643 Cb 1.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.08 3iq7 n LEU 643 CO 0.53 0.04 -0.20 0.54 -1.33 0.00 0.00 177.39 176.97 3iq7 n ARG 644 N -0.01 -3.63 -2.86 3.23 1.74 0.02 -1.34 116.66 113.81 3iq7 n ARG 644 Ca 0.00 0.45 -0.40 0.00 -0.77 0.00 0.00 57.85 57.13 3iq7 n ARG 644 Cb 0.27 -4.66 -0.05 0.00 -1.02 0.00 0.00 32.46 27.00 3iq7 n ARG 644 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3iq7 s PHE 645 N -3.90 3.76 -0.06 -1.55 5.36 -1.08 -4.27 117.98 116.23 3iq7 s PHE 645 Ca 0.00 1.62 0.05 0.00 -0.96 0.00 0.00 56.93 57.65 3iq7 s PHE 645 Cb -0.00 -2.94 -0.01 0.00 -0.34 0.00 0.00 43.02 39.74 3iq7 s PHE 645 CO 0.87 0.23 -0.23 -1.21 -1.46 0.00 0.00 175.22 173.42 3iq7 s GLU 646 N 0.02 2.48 -0.01 10.12 2.02 0.15 -4.39 118.70 129.08 3iq7 s GLU 646 Ca 0.43 -0.84 -0.24 0.00 0.02 0.00 0.00 54.97 54.34 3iq7 s GLU 646 Cb -0.22 -2.06 -0.16 0.00 0.10 0.00 0.00 34.13 31.79 3iq7 s GLU 646 CO 0.26 0.32 1.12 1.25 0.02 0.00 0.00 175.26 178.23 3iq7 h HIS 647 N 6.22 -0.29 0.00 1.61 -0.00 -1.93 -1.66 115.15 119.10 3iq7 h HIS 647 Ca -0.30 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.06 3iq7 h HIS 647 Cb 1.19 0.10 0.00 0.00 -0.00 0.00 0.00 27.41 28.69 3iq7 h HIS 647 CO 0.44 0.09 0.00 0.54 -0.00 0.00 0.00 177.93 178.99 3iq7 n ARG 648 N -5.04 -0.38 -2.70 5.26 1.74 -1.26 -2.92 116.66 111.36 3iq7 n ARG 648 Ca -0.09 0.10 -0.04 0.00 -0.77 0.00 0.00 57.85 57.05 3iq7 n ARG 648 Cb 0.26 -3.75 0.11 0.00 -1.02 0.00 0.00 32.46 28.06 3iq7 n ARG 648 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3iq7 n ASP 649 N -0.19 -1.03 -3.17 0.55 2.03 -1.26 -4.92 116.55 108.55 3iq7 n ASP 649 Ca 0.00 -2.32 -0.36 0.00 0.52 0.00 0.00 54.79 52.62 3iq7 n ASP 649 Cb 0.10 0.57 -0.01 0.00 -0.72 0.00 0.00 41.12 41.05 3iq7 n ASP 649 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 3iq7 n LEU 650 N -0.99 7.43 -4.79 -2.67 7.94 -1.26 -4.85 117.00 117.82 3iq7 n LEU 650 Ca -0.08 -4.73 -0.30 0.00 -1.11 0.00 0.00 56.01 49.79 3iq7 n LEU 650 Cb 0.86 -1.26 0.09 0.00 0.53 0.00 0.00 43.42 43.64 3iq7 n LEU 650 CO -0.07 1.94 0.70 -1.38 -1.11 0.00 0.00 177.39 177.47 3iq7 s HIS 651 N -2.15 2.75 -0.83 1.96 -3.43 -1.26 -4.83 115.29 107.50 3iq7 s HIS 651 Ca 0.53 1.24 0.15 0.00 -0.80 0.00 0.00 55.06 56.18 3iq7 s HIS 651 Cb 0.27 -3.09 0.65 0.00 -1.43 0.00 0.00 32.58 28.97 3iq7 s HIS 651 CO -0.17 -1.81 1.46 -2.67 -2.00 0.00 0.00 174.74 169.55 3iq7 n TRP 652 N -3.48 0.24 0.38 0.38 4.27 -1.26 -0.23 117.44 117.73 3iq7 n TRP 652 Ca 0.07 0.10 0.14 0.00 -3.89 0.00 0.00 57.50 53.92 3iq7 n TRP 652 Cb 0.55 -0.66 0.53 0.00 -1.36 0.00 0.00 31.31 30.37 3iq7 n TRP 652 CO 0.00 0.00 0.00 0.78 -2.29 0.00 0.00 177.69 176.18 3iq7 h GLY 653 N 1.92 0.00 -2.75 -1.67 0.00 -1.95 -2.78 103.07 95.84 3iq7 h GLY 653 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3iq7 h GLY 653 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 3iq7 n ASN 654 N -2.53 4.31 -4.15 0.19 3.02 0.68 -4.79 115.26 112.00 3iq7 n ASN 654 Ca 0.02 -2.26 -0.33 0.00 -0.03 0.00 0.00 54.58 51.97 3iq7 n ASN 654 Cb 0.28 -0.52 -0.15 0.00 -0.61 0.00 0.00 39.78 38.79 3iq7 n ASN 654 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3iq7 s VAL 655 N -1.49 2.52 -0.03 2.41 1.01 -1.24 -1.72 120.40 121.85 3iq7 s VAL 655 Ca 0.48 -1.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 3iq7 s VAL 655 Cb 0.29 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 3iq7 s VAL 655 CO 0.27 0.19 0.04 -0.76 0.00 0.00 0.00 175.10 174.84 3iq7 s LEU 656 N 1.25 3.73 -0.07 3.92 1.43 0.54 -0.09 118.68 129.39 3iq7 s LEU 656 Ca -0.02 0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.26 3iq7 s LEU 656 Cb -0.17 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 3iq7 s LEU 656 CO -0.06 0.31 -0.24 -0.76 0.23 0.00 0.00 176.35 175.84 3iq7 s LEU 657 N -1.41 2.04 -0.00 1.79 1.43 -0.08 -0.38 118.68 122.07 3iq7 s LEU 657 Ca 0.19 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 3iq7 s LEU 657 Cb -0.12 -1.32 -0.00 0.00 0.03 0.00 0.00 46.19 44.78 3iq7 s LEU 657 CO 0.09 0.20 -0.05 -0.75 0.23 0.00 0.00 176.35 176.08 3iq7 s LYS 658 N 0.03 0.40 0.42 1.70 2.20 -0.70 -1.38 119.74 122.40 3iq7 s LYS 658 Ca -0.08 -0.20 -0.26 0.00 -0.36 0.00 0.00 55.97 55.06 3iq7 s LYS 658 Cb -0.15 -0.37 -0.09 0.00 -1.51 0.00 0.00 37.83 35.71 3iq7 s LYS 658 CO 0.05 0.10 1.39 0.15 -0.36 0.00 0.00 175.35 176.68 3iq7 s LYS 659 N -0.20 3.89 0.01 4.03 1.02 -1.26 -0.45 119.74 126.78 3iq7 s LYS 659 Ca 0.01 2.34 -0.02 0.00 0.02 0.00 0.00 55.97 58.33 3iq7 s LYS 659 Cb -0.02 -2.77 -0.01 0.00 -0.52 0.00 0.00 37.83 34.51 3iq7 s LYS 659 CO -0.00 -0.62 0.02 -0.08 -0.92 0.00 0.00 175.35 173.75 3iq7 s THR 660 N -1.20 0.08 -0.43 2.17 -1.32 -0.26 -4.74 115.64 109.93 3iq7 s THR 660 Ca 0.57 -0.63 0.23 0.00 -1.21 0.00 0.00 61.69 60.66 3iq7 s THR 660 Cb -0.42 -0.24 0.07 0.00 -1.51 0.00 0.00 72.50 70.39 3iq7 s THR 660 CO 0.55 -0.35 1.24 0.77 -2.21 0.00 0.00 174.62 174.62 3iq7 h SER 661 N 4.95 0.00 -2.58 8.08 4.64 -1.96 -3.41 113.55 123.26 3iq7 h SER 661 Ca -0.30 -0.09 -0.53 0.00 -0.47 0.00 0.00 61.79 60.41 3iq7 h SER 661 Cb 1.21 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.35 3iq7 h SER 661 CO 0.43 0.04 1.04 0.18 -0.87 0.00 0.00 176.83 177.65 3iq7 n LEU 662 N -2.49 3.99 0.08 5.97 4.77 -1.26 -4.90 117.00 123.16 3iq7 n LEU 662 Ca 0.02 1.04 -0.06 0.00 -0.03 0.00 0.00 56.01 56.97 3iq7 n LEU 662 Cb 0.50 -1.56 -0.04 0.00 -2.33 0.00 0.00 43.42 39.99 3iq7 n LEU 662 CO 0.38 0.17 0.23 0.11 -1.33 0.00 0.00 177.39 176.95 3iq7 h LYS 663 N 7.38 0.03 -4.65 3.23 1.57 -1.96 -3.42 116.57 118.75 3iq7 h LYS 663 Ca -0.44 -0.05 -0.44 0.00 -1.87 0.00 0.00 60.65 57.85 3iq7 h LYS 663 Cb 1.21 0.02 -0.31 0.00 0.08 0.00 0.00 32.23 33.23 3iq7 h LYS 663 CO 0.95 0.91 -0.79 0.15 -0.57 0.00 0.00 179.45 180.10 3iq7 s LYS 664 N -2.98 1.02 0.05 3.15 1.02 -1.26 -1.28 119.74 119.45 3iq7 s LYS 664 Ca -0.00 -0.33 0.01 0.00 0.02 0.00 0.00 55.97 55.67 3iq7 s LYS 664 Cb 0.11 -0.95 -0.04 0.00 -0.52 0.00 0.00 37.83 36.43 3iq7 s LYS 664 CO 0.81 0.12 0.12 -0.51 -0.92 0.00 0.00 175.35 174.98 3iq7 s LEU 665 N 0.18 4.02 0.08 3.17 1.43 0.98 -4.89 118.68 123.65 3iq7 s LEU 665 Ca -0.03 0.13 0.08 0.00 -1.03 0.00 0.00 54.13 53.27 3iq7 s LEU 665 Cb -0.09 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 3iq7 s LEU 665 CO 0.01 0.20 -0.16 -1.00 0.23 0.00 0.00 176.35 175.63 3iq7 s HIS 666 N -1.37 2.60 0.13 0.29 3.76 -1.26 -0.60 115.29 118.84 3iq7 s HIS 666 Ca 0.29 -0.23 -0.10 0.00 -0.15 0.00 0.00 55.06 54.87 3iq7 s HIS 666 Cb -0.12 -1.42 0.00 0.00 1.11 0.00 0.00 32.58 32.15 3iq7 s HIS 666 CO 0.21 0.34 0.27 1.52 -0.85 0.00 0.00 174.74 176.23 3iq7 s TYR 667 N -1.06 0.20 -0.08 1.40 1.13 -0.97 -4.55 117.35 113.42 3iq7 s TYR 667 Ca 0.17 -0.59 0.00 0.00 -1.41 0.00 0.00 57.07 55.24 3iq7 s TYR 667 Cb -0.11 -0.00 0.02 0.00 -1.10 0.00 0.00 41.96 40.77 3iq7 s TYR 667 CO 0.09 -0.65 -0.07 0.99 -2.51 0.00 0.00 175.55 173.40 3iq7 s THR 668 N -3.90 0.84 -0.24 -3.49 2.01 -0.12 -1.16 115.64 109.59 3iq7 s THR 668 Ca 0.10 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 61.87 3iq7 s THR 668 Cb 0.04 -0.86 0.03 0.00 0.01 0.00 0.00 72.50 71.72 3iq7 s THR 668 CO -0.06 0.32 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.86 3iq7 s LEU 669 N 1.32 3.02 -1.58 4.42 2.96 -0.43 -0.97 118.68 127.42 3iq7 s LEU 669 Ca -0.03 -0.95 -0.08 0.00 -0.22 0.00 0.00 54.13 52.85 3iq7 s LEU 669 Cb -0.14 -1.60 0.07 0.00 0.50 0.00 0.00 46.19 45.03 3iq7 s LEU 669 CO -0.03 -0.11 0.45 0.59 -1.32 0.00 0.00 176.35 175.92 3iq7 n ASN 670 N 4.60 -1.06 0.00 3.68 3.02 -0.55 -1.18 115.26 123.77 3iq7 n ASN 670 Ca -0.17 -1.10 0.00 0.00 -0.03 0.00 0.00 54.58 53.28 3iq7 n ASN 670 Cb 0.46 -2.47 0.00 0.00 -0.61 0.00 0.00 39.78 37.16 3iq7 n ASN 670 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iq7 n GLY 671 N -1.86 1.71 3.55 7.41 0.00 0.34 -5.02 105.19 111.31 3iq7 n GLY 671 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 3iq7 n GLY 671 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iq7 s LYS 672 N -0.39 3.62 0.07 1.61 2.20 -0.32 -5.02 119.74 121.50 3iq7 s LYS 672 Ca 0.00 -0.50 -0.23 0.00 -0.36 0.00 0.00 55.97 54.89 3iq7 s LYS 672 Cb 0.00 -3.77 -0.06 0.00 -1.51 0.00 0.00 37.83 32.48 3iq7 s LYS 672 CO 0.00 -0.41 0.68 -1.12 -0.36 0.00 0.00 175.35 174.14 3iq7 s SER 673 N 1.73 7.17 0.20 1.43 0.01 -1.26 -1.31 113.70 121.66 3iq7 s SER 673 Ca 0.08 1.39 -0.00 0.00 1.31 0.00 0.00 55.95 58.73 3iq7 s SER 673 Cb -0.17 -2.42 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 3iq7 s SER 673 CO 0.11 0.16 0.10 -0.44 0.41 0.00 0.00 173.24 173.57 3iq7 s SER 674 N -0.66 0.56 0.21 2.44 0.01 -0.31 -4.99 113.70 110.96 3iq7 s SER 674 Ca 0.34 -1.34 0.08 0.00 1.31 0.00 0.00 55.95 56.33 3iq7 s SER 674 Cb -0.20 0.28 -0.05 0.00 0.21 0.00 0.00 66.02 66.26 3iq7 s SER 674 CO 0.21 -0.77 -0.13 0.42 0.41 0.00 0.00 173.24 173.38 3iq7 s THR 675 N -3.99 1.73 -0.03 1.44 -4.23 -1.26 -2.29 115.64 107.02 3iq7 s THR 675 Ca 0.35 -2.21 0.01 0.00 -1.18 0.00 0.00 61.69 58.66 3iq7 s THR 675 Cb 0.07 -2.09 0.02 0.00 1.34 0.00 0.00 72.50 71.84 3iq7 s THR 675 CO 0.10 -0.56 -0.02 -0.63 -0.54 0.00 0.00 174.62 172.97 3iq7 s ILE 676 N -2.97 0.31 0.18 2.99 1.01 0.24 -4.95 121.20 118.00 3iq7 s ILE 676 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 60.65 60.58 3iq7 s ILE 676 Cb -0.00 -0.38 -0.09 0.00 0.01 0.00 0.00 42.46 41.99 3iq7 s ILE 676 CO 0.08 0.17 1.46 -2.84 0.00 0.00 0.00 174.94 173.81 3iq7 s PRO 677 N 0.96 4.28 0.40 2.79 0.02 -1.26 -0.01 135.00 142.17 3iq7 s PRO 677 Ca -0.11 2.23 0.22 0.00 0.02 0.00 0.00 61.00 63.36 3iq7 s PRO 677 Cb -0.14 -3.17 0.55 0.00 0.02 0.00 0.00 34.50 31.75 3iq7 s PRO 677 CO -0.01 -0.47 1.66 0.66 -0.33 0.00 0.00 177.00 178.51 3iq7 h SER 678 N 6.21 0.00 -5.74 2.53 4.64 -1.45 -3.44 113.55 116.29 3iq7 h SER 678 Ca -0.44 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.60 3iq7 h SER 678 Cb 1.21 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.16 3iq7 h SER 678 CO 0.85 0.25 -0.42 0.00 -0.87 0.00 0.00 176.83 176.64 3iq7 n GLY 680 N -0.83 0.61 3.12 0.00 0.00 -1.26 -4.98 105.19 101.84 3iq7 n GLY 680 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 3iq7 n GLY 680 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iq7 s LEU 681 N 0.00 2.04 -0.20 0.99 1.43 -0.69 -1.11 118.68 121.14 3iq7 s LEU 681 Ca 0.00 -0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 52.76 3iq7 s LEU 681 Cb 0.00 -0.75 -0.03 0.00 0.03 0.00 0.00 46.19 45.44 3iq7 s LEU 681 CO 0.00 0.17 0.02 -1.58 0.23 0.00 0.00 176.35 175.19 3iq7 s GLN 682 N -0.40 3.71 -0.14 1.70 2.00 0.40 -4.73 119.66 122.20 3iq7 s GLN 682 Ca 0.05 -0.47 -0.17 0.00 -2.00 0.00 0.00 55.36 52.77 3iq7 s GLN 682 Cb -0.06 -3.12 -0.04 0.00 0.80 0.00 0.00 33.01 30.59 3iq7 s GLN 682 CO -0.00 0.07 0.43 0.08 -0.50 0.00 0.00 175.29 175.37 3iq7 s VAL 683 N 0.86 5.22 -0.07 1.34 1.01 -1.26 -1.72 120.40 125.77 3iq7 s VAL 683 Ca 0.02 0.84 0.05 0.00 0.00 0.00 0.00 61.98 62.88 3iq7 s VAL 683 Cb -0.14 -3.77 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 3iq7 s VAL 683 CO 0.02 0.33 -0.24 -0.44 0.00 0.00 0.00 175.10 174.78 3iq7 s SER 684 N 0.63 2.97 -0.02 3.32 0.01 0.49 -4.52 113.70 116.58 3iq7 s SER 684 Ca 0.23 -0.51 -0.16 0.00 1.31 0.00 0.00 55.95 56.82 3iq7 s SER 684 Cb -0.15 -1.06 -0.05 0.00 0.21 0.00 0.00 66.02 64.97 3iq7 s SER 684 CO 0.08 0.20 0.42 -0.63 0.41 0.00 0.00 173.24 173.72 3iq7 s ILE 685 N 0.09 5.04 0.28 1.44 1.01 0.29 -0.34 121.20 129.02 3iq7 s ILE 685 Ca -0.10 0.87 0.03 0.00 0.00 0.00 0.00 60.65 61.45 3iq7 s ILE 685 Cb -0.15 -3.74 -0.06 0.00 0.01 0.00 0.00 42.46 38.52 3iq7 s ILE 685 CO 0.06 0.53 0.04 0.27 0.00 0.00 0.00 174.94 175.84 3iq7 s ILE 686 N -0.75 1.04 -0.02 2.92 -4.36 -0.70 -2.15 121.20 117.18 3iq7 s ILE 686 Ca 0.24 -2.01 -0.00 0.00 -0.26 0.00 0.00 60.65 58.61 3iq7 s ILE 686 Cb -0.16 -2.63 0.00 0.00 1.25 0.00 0.00 42.46 40.92 3iq7 s ILE 686 CO 0.13 -0.10 0.01 -0.67 0.24 0.00 0.00 174.94 174.55 3iq7 n ASP 687 N -0.56 -2.23 -1.53 4.36 2.03 -1.26 -4.85 116.55 112.50 3iq7 n ASP 687 Ca -0.03 0.11 -0.07 0.00 0.52 0.00 0.00 54.79 55.32 3iq7 n ASP 687 Cb 0.66 -1.33 0.23 0.00 -0.72 0.00 0.00 41.12 39.96 3iq7 n ASP 687 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 3iq7 n TYR 688 N 0.08 1.80 0.24 -0.67 4.01 -1.26 -4.64 117.16 116.72 3iq7 n TYR 688 Ca -0.01 -1.45 0.08 0.00 -0.16 0.00 0.00 57.90 56.36 3iq7 n TYR 688 Cb 0.02 -0.61 0.60 0.00 -0.31 0.00 0.00 39.34 39.05 3iq7 n TYR 688 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3iq7 h THR 689 N 1.50 0.92 -0.05 -0.72 1.03 -1.92 -2.50 112.91 111.17 3iq7 h THR 689 Ca 0.29 -0.54 0.00 0.00 -0.01 0.00 0.00 66.41 66.15 3iq7 h THR 689 Cb 2.04 1.31 0.00 0.00 -1.07 0.00 0.00 68.15 70.43 3iq7 h THR 689 CO 0.60 0.14 0.00 0.18 -0.01 0.00 0.00 175.52 176.43 3iq7 n LEU 690 N -4.09 1.93 -4.72 0.00 4.77 -1.26 -4.72 117.00 108.91 3iq7 n LEU 690 Ca -0.02 -1.13 -0.29 0.00 -0.03 0.00 0.00 56.01 54.54 3iq7 n LEU 690 Cb 0.23 -0.03 0.15 0.00 -2.33 0.00 0.00 43.42 41.44 3iq7 n LEU 690 CO 0.34 0.40 0.67 -0.44 -1.33 0.00 0.00 177.39 177.02 3iq7 s SER 691 N -0.83 3.23 -0.07 -1.43 0.01 -0.94 -4.43 113.70 109.24 3iq7 s SER 691 Ca 0.12 1.27 -0.06 0.00 1.31 0.00 0.00 55.95 58.60 3iq7 s SER 691 Cb 0.08 -1.94 0.02 0.00 0.21 0.00 0.00 66.02 64.39 3iq7 s SER 691 CO 0.12 -2.76 0.18 -0.60 0.41 0.00 0.00 173.24 170.59 3iq7 s ARG 692 N -5.02 0.20 0.34 12.44 3.00 -0.62 -3.15 118.95 126.15 3iq7 s ARG 692 Ca 0.64 0.26 -0.10 0.00 -1.00 0.00 0.00 55.73 55.53 3iq7 s ARG 692 Cb -0.17 0.08 0.02 0.00 0.00 0.00 0.00 34.95 34.88 3iq7 s ARG 692 CO 0.56 -0.04 0.62 -0.48 0.00 0.00 0.00 175.30 175.96 3iq7 s LEU 693 N 0.20 0.44 -0.06 -0.88 0.05 -0.48 -0.68 118.68 117.28 3iq7 s LEU 693 Ca -0.01 -1.22 -0.17 0.00 0.05 0.00 0.00 54.13 52.78 3iq7 s LEU 693 Cb -0.02 2.14 0.03 0.00 -2.05 0.00 0.00 46.19 46.29 3iq7 s LEU 693 CO -0.00 -1.44 0.38 -1.83 -0.55 0.00 0.00 176.35 172.91 3iq7 s GLU 694 N -2.94 0.66 -0.04 1.48 -1.05 -0.45 -0.83 118.70 115.53 3iq7 s GLU 694 Ca 0.22 0.07 0.00 0.00 -0.15 0.00 0.00 54.97 55.11 3iq7 s GLU 694 Cb -0.03 0.30 0.03 0.00 -0.44 0.00 0.00 34.13 33.99 3iq7 s GLU 694 CO 0.14 -0.17 -0.01 1.03 0.95 0.00 0.00 175.26 177.21 3iq7 s ARG 695 N -0.89 0.51 -1.53 -4.83 0.52 -0.82 -4.50 118.95 107.41 3iq7 s ARG 695 Ca -0.10 0.04 -0.09 0.00 -0.52 0.00 0.00 55.73 55.06 3iq7 s ARG 695 Cb -0.04 -0.70 0.07 0.00 0.52 0.00 0.00 34.95 34.81 3iq7 s ARG 695 CO 0.04 -0.16 0.69 -0.25 0.02 0.00 0.00 175.30 175.64 3iq7 n ASP 696 N 4.37 -2.36 0.00 0.23 8.00 -1.26 -1.09 116.55 124.45 3iq7 n ASP 696 Ca -0.21 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.35 3iq7 n ASP 696 Cb 0.50 -3.22 0.00 0.00 -0.02 0.00 0.00 41.12 38.39 3iq7 n ASP 696 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iq7 n GLY 697 N -1.69 0.48 3.52 0.44 0.00 -1.26 -4.99 105.19 101.69 3iq7 n GLY 697 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 3iq7 n GLY 697 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iq7 s ILE 698 N -2.23 5.02 -0.02 -0.61 -1.09 -0.25 -5.07 121.20 116.95 3iq7 s ILE 698 Ca 0.00 -0.13 -0.16 0.00 -2.23 0.00 0.00 60.65 58.13 3iq7 s ILE 698 Cb 0.00 -3.49 -0.05 0.00 -1.58 0.00 0.00 42.46 37.34 3iq7 s ILE 698 CO 0.00 0.13 0.44 -0.69 -1.23 0.00 0.00 174.94 173.59 3iq7 s VAL 699 N 1.70 5.03 -0.14 2.92 1.01 -1.26 -1.95 120.40 127.71 3iq7 s VAL 699 Ca 0.06 0.90 0.02 0.00 0.00 0.00 0.00 61.98 62.97 3iq7 s VAL 699 Cb -0.17 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.47 3iq7 s VAL 699 CO 0.09 0.52 -0.21 -0.69 0.00 0.00 0.00 175.10 174.81 3iq7 s VAL 700 N -0.69 1.99 0.25 2.92 1.01 -0.01 -4.99 120.40 120.89 3iq7 s VAL 700 Ca 0.25 -0.94 -0.22 0.00 0.00 0.00 0.00 61.98 61.07 3iq7 s VAL 700 Cb -0.17 -1.76 0.03 0.00 0.00 0.00 0.00 36.38 34.48 3iq7 s VAL 700 CO 0.13 0.54 0.76 0.72 0.00 0.00 0.00 175.10 177.24 3iq7 s PHE 701 N 0.86 -0.19 -0.31 5.22 -0.71 -1.26 -1.38 117.98 120.20 3iq7 s PHE 701 Ca -0.06 -0.23 -0.14 0.00 -1.04 0.00 0.00 56.93 55.45 3iq7 s PHE 701 Cb -0.15 0.69 -0.03 0.00 -1.21 0.00 0.00 43.02 42.32 3iq7 s PHE 701 CO -0.02 -1.16 0.32 0.00 -1.34 0.00 0.00 175.22 173.02 3iq7 s ASP 703 N 1.72 6.23 -0.19 0.00 2.15 -1.26 -4.83 116.67 120.49 3iq7 s ASP 703 Ca 0.11 -0.77 0.16 0.00 0.43 0.00 0.00 52.55 52.47 3iq7 s ASP 703 Cb -0.16 -2.53 0.65 0.00 -0.30 0.00 0.00 42.92 40.58 3iq7 s ASP 703 CO 0.11 -1.68 1.56 1.33 -0.17 0.00 0.00 175.17 176.32 3iq7 n VAL 704 N 6.33 2.41 0.28 1.11 0.24 -1.26 -4.63 118.33 122.81 3iq7 n VAL 704 Ca 0.07 -1.63 0.13 0.00 -2.04 0.00 0.00 64.34 60.87 3iq7 n VAL 704 Cb 0.49 -0.21 0.82 0.00 -1.47 0.00 0.00 33.84 33.46 3iq7 n VAL 704 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3iq7 h SER 705 N 2.80 0.00 -0.02 -1.34 4.64 -1.88 -2.17 113.55 115.59 3iq7 h SER 705 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iq7 h SER 705 Cb 1.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 3iq7 h SER 705 CO 0.32 0.03 -0.17 0.23 -0.87 0.00 0.00 176.83 176.38 3iq7 n MET 706 N -3.94 1.52 -2.46 4.77 2.81 -1.26 -4.89 117.12 113.66 3iq7 n MET 706 Ca -0.03 -1.15 -0.40 0.00 -1.81 0.00 0.00 57.70 54.32 3iq7 n MET 706 Cb 0.12 -1.29 -0.03 0.00 -0.71 0.00 0.00 33.22 31.30 3iq7 n MET 706 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3iq7 s ASP 707 N -1.64 6.06 0.08 7.83 -1.08 -0.82 -4.87 116.67 122.23 3iq7 s ASP 707 Ca 0.16 -0.54 -0.10 0.00 -0.52 0.00 0.00 52.55 51.55 3iq7 s ASP 707 Cb 0.13 -2.56 -0.23 0.00 -1.46 0.00 0.00 42.92 38.80 3iq7 s ASP 707 CO 0.31 -1.89 1.17 1.05 0.52 0.00 0.00 175.17 176.32 3iq7 h GLU 708 N 10.73 0.51 -0.16 4.34 -0.00 -1.90 -3.34 114.58 124.77 3iq7 h GLU 708 Ca -0.17 -0.67 -0.03 0.00 -0.00 0.00 0.00 59.36 58.50 3iq7 h GLU 708 Cb 1.06 0.22 -0.01 0.00 -0.00 0.00 0.00 28.75 30.01 3iq7 h GLU 708 CO 1.30 1.28 -0.02 -0.44 -0.00 0.00 0.00 179.01 181.13 3iq7 h ASP 709 N 0.24 0.21 -0.37 3.06 5.19 -1.98 -2.68 116.42 120.09 3iq7 h ASP 709 Ca -0.15 -0.03 0.11 0.00 -0.62 0.00 0.00 57.03 56.34 3iq7 h ASP 709 Cb 1.83 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 41.27 3iq7 h ASP 709 CO 0.21 0.27 0.39 0.25 -3.12 0.00 0.00 179.24 177.24 3iq7 h LEU 710 N 0.23 0.00 -2.62 1.55 5.85 -1.97 -2.90 115.31 115.46 3iq7 h LEU 710 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3iq7 h LEU 710 Cb 0.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3iq7 h LEU 710 CO 0.01 0.00 0.00 0.49 -0.34 0.00 0.00 178.44 178.60 3iq7 n PHE 711 N -3.79 0.43 -1.03 1.25 3.72 -1.01 -4.37 117.46 112.65 3iq7 n PHE 711 Ca 0.06 -0.41 0.10 0.00 -0.05 0.00 0.00 57.45 57.15 3iq7 n PHE 711 Cb 0.56 -0.02 0.14 0.00 -0.94 0.00 0.00 39.48 39.21 3iq7 n PHE 711 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3iq7 n THR 712 N 0.66 1.86 -1.45 4.37 -2.24 -1.09 -4.78 114.28 111.61 3iq7 n THR 712 Ca 0.12 -2.23 -0.30 0.00 -2.27 0.00 0.00 64.05 59.37 3iq7 n THR 712 Cb 0.42 -0.22 0.09 0.00 -2.10 0.00 0.00 70.33 68.53 3iq7 n THR 712 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3iq7 s GLY 713 N -2.81 1.63 0.19 3.38 0.00 -1.26 -5.09 107.32 103.36 3iq7 s GLY 713 Ca 0.31 -0.08 -0.13 0.00 0.00 0.00 0.00 44.72 44.83 3iq7 s GLY 713 CO 0.03 0.34 0.40 -0.35 0.00 0.00 0.00 173.10 173.52 3iq7 s ASP 714 N -3.72 -0.09 0.00 1.64 -1.08 -1.26 -4.79 116.67 107.37 3iq7 s ASP 714 Ca 0.61 -0.73 0.00 0.00 -0.52 0.00 0.00 52.55 51.90 3iq7 s ASP 714 Cb -0.15 0.51 0.00 0.00 -1.46 0.00 0.00 42.92 41.82 3iq7 s ASP 714 CO 0.55 -0.99 0.00 0.61 0.52 0.00 0.00 175.17 175.86 3iq7 n GLY 715 N -0.28 0.74 3.62 2.66 0.00 -1.26 -4.99 105.19 105.67 3iq7 n GLY 715 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 3iq7 n GLY 715 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3iq7 s ASP 716 N -2.59 -0.72 0.53 1.61 -1.08 -1.26 -5.02 116.67 108.14 3iq7 s ASP 716 Ca 0.00 1.31 0.28 0.00 -0.52 0.00 0.00 52.55 53.62 3iq7 s ASP 716 Cb 0.00 1.31 1.41 0.00 -1.46 0.00 0.00 42.92 44.18 3iq7 s ASP 716 CO 0.00 -0.29 1.94 0.22 0.52 0.00 0.00 175.17 177.56 3iq7 h TYR 717 N 4.68 0.04 -0.94 -5.34 3.20 -1.99 -2.26 116.97 114.35 3iq7 h TYR 717 Ca -0.29 0.00 0.26 0.00 3.14 0.00 0.00 58.73 61.84 3iq7 h TYR 717 Cb 1.16 -0.01 -0.17 0.00 1.54 0.00 0.00 36.73 39.25 3iq7 h TYR 717 CO 0.38 0.01 0.09 0.37 -1.64 0.00 0.00 178.16 177.37 3iq7 h GLN 718 N 0.03 0.06 0.00 1.82 4.15 -1.96 -1.62 115.11 117.59 3iq7 h GLN 718 Ca 0.34 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.73 3iq7 h GLN 718 Cb 1.33 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 29.01 3iq7 h GLN 718 CO -0.01 0.04 -0.13 0.74 -1.93 0.00 0.00 178.83 177.53 3iq7 h PHE 719 N 0.06 0.00 -0.34 3.99 0.04 -1.74 -2.16 116.94 116.79 3iq7 h PHE 719 Ca 0.58 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.28 3iq7 h PHE 719 Cb 1.19 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.32 3iq7 h PHE 719 CO -0.42 0.13 -0.05 -0.44 -0.60 0.00 0.00 178.31 176.93 3iq7 h ASP 720 N 0.00 0.53 -0.74 2.17 3.32 -1.43 -3.26 116.42 117.00 3iq7 h ASP 720 Ca -0.00 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 3iq7 h ASP 720 Cb 0.93 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 3iq7 h ASP 720 CO 0.02 0.64 0.34 0.40 -1.72 0.00 0.00 179.24 178.91 3iq7 h ILE 721 N 0.52 1.24 -0.60 0.35 1.08 -1.25 0.08 117.51 118.94 3iq7 h ILE 721 Ca 0.11 -0.72 0.00 0.00 -0.39 0.00 0.00 64.86 63.86 3iq7 h ILE 721 Cb 0.42 0.34 -0.03 0.00 -3.07 0.00 0.00 36.82 34.47 3iq7 h ILE 721 CO 0.02 0.30 0.39 1.88 -0.69 0.00 0.00 178.15 180.05 3iq7 h TYR 722 N 1.05 0.76 -0.55 1.37 0.05 -1.63 0.07 116.97 118.09 3iq7 h TYR 722 Ca 0.25 0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.99 3iq7 h TYR 722 Cb 0.15 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 3iq7 h TYR 722 CO 0.01 0.48 0.11 0.00 -1.05 0.00 0.00 178.16 177.72 3iq7 h ARG 723 N 0.81 0.90 -0.48 4.88 3.08 -1.47 -2.04 114.38 120.05 3iq7 h ARG 723 Ca 0.22 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3iq7 h ARG 723 Cb -0.08 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 3iq7 h ARG 723 CO -0.05 0.85 0.22 -0.07 -1.07 0.00 0.00 179.97 179.86 3iq7 h LEU 724 N 0.80 0.64 -0.82 3.04 3.38 -0.69 -0.44 115.31 121.22 3iq7 h LEU 724 Ca 0.17 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.06 3iq7 h LEU 724 Cb 0.37 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 3iq7 h LEU 724 CO 0.01 0.60 0.50 0.24 0.09 0.00 0.00 178.44 179.87 3iq7 h MET 725 N 0.63 0.88 -0.29 1.13 2.86 -0.83 -1.43 114.93 117.89 3iq7 h MET 725 Ca 0.16 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.61 3iq7 h MET 725 Cb 0.14 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 3iq7 h MET 725 CO -0.02 0.58 -0.39 -0.22 1.06 0.00 0.00 176.91 177.93 3iq7 h LYS 726 N 0.91 0.67 -0.46 1.72 3.64 -0.97 -1.55 116.57 120.53 3iq7 h LYS 726 Ca 0.36 -0.34 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3iq7 h LYS 726 Cb 0.18 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3iq7 h LYS 726 CO -0.18 0.94 0.27 -0.22 -2.27 0.00 0.00 179.45 177.99 3iq7 h LYS 727 N 0.55 0.63 0.00 1.90 3.64 -0.71 -1.20 116.57 121.38 3iq7 h LYS 727 Ca 0.05 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3iq7 h LYS 727 Cb 0.91 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.60 3iq7 h LYS 727 CO 0.08 0.48 -0.12 0.93 -2.27 0.00 0.00 179.45 178.54 3iq7 h GLU 728 N 0.60 0.00 -0.29 1.90 5.08 -0.87 -3.12 114.58 117.88 3iq7 h GLU 728 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3iq7 h GLU 728 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3iq7 h GLU 728 CO -0.03 0.12 0.00 0.27 -1.00 0.00 0.00 179.01 178.38 3iq7 n ASN 729 N -3.13 2.84 -3.06 1.42 0.23 -0.62 -4.99 115.26 107.95 3iq7 n ASN 729 Ca 0.03 -1.85 -0.22 0.00 -0.53 0.00 0.00 54.58 52.01 3iq7 n ASN 729 Cb 0.58 -0.19 0.03 0.00 -2.08 0.00 0.00 39.78 38.12 3iq7 n ASN 729 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3iq7 n ASN 730 N 0.82 -5.79 -2.00 0.53 3.02 -0.51 0.09 115.26 111.41 3iq7 n ASN 730 Ca 0.13 -0.29 -0.19 0.00 -0.03 0.00 0.00 54.58 54.19 3iq7 n ASN 730 Cb 0.44 -4.69 -0.04 0.00 -0.61 0.00 0.00 39.78 34.87 3iq7 n ASN 730 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3iq7 n ASN 731 N -2.49 -5.32 -4.18 6.41 5.15 -0.86 -4.96 115.26 109.01 3iq7 n ASN 731 Ca -0.10 0.24 -0.40 0.00 -0.60 0.00 0.00 54.58 53.72 3iq7 n ASN 731 Cb 0.61 -4.58 -0.08 0.00 -0.53 0.00 0.00 39.78 35.20 3iq7 n ASN 731 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3iq7 s ARG 732 N -4.37 2.58 0.30 1.20 0.52 0.11 -4.70 118.95 114.59 3iq7 s ARG 732 Ca 0.00 -2.08 0.25 0.00 -0.52 0.00 0.00 55.73 53.38 3iq7 s ARG 732 Cb 0.00 -3.89 0.68 0.00 0.52 0.00 0.00 34.95 32.26 3iq7 s ARG 732 CO 0.00 -1.18 1.72 -1.49 0.02 0.00 0.00 175.30 174.37 3iq7 h TRP 733 N 7.91 0.00 0.00 -0.53 4.06 -1.91 -2.91 115.95 122.57 3iq7 h TRP 733 Ca -0.10 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.81 3iq7 h TRP 733 Cb 1.03 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.19 3iq7 h TRP 733 CO 0.70 0.00 -0.16 0.78 -3.56 0.00 0.00 178.44 176.20 3iq7 h GLY 734 N 4.16 0.00 -1.76 1.49 0.00 -1.92 -3.46 103.07 101.58 3iq7 h GLY 734 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 3iq7 h GLY 734 CO 0.00 0.00 0.38 -0.54 0.00 0.00 0.00 176.54 176.38 3iq7 s GLU 735 N -3.78 3.33 -0.41 4.80 2.02 -1.10 -4.99 118.70 118.56 3iq7 s GLU 735 Ca -0.00 1.23 -0.21 0.00 0.02 0.00 0.00 54.97 56.01 3iq7 s GLU 735 Cb 0.11 -2.03 0.02 0.00 0.10 0.00 0.00 34.13 32.32 3iq7 s GLU 735 CO 0.60 -0.81 0.69 -0.47 0.02 0.00 0.00 175.26 175.29 3iq7 s TYR 736 N -2.40 3.07 -0.58 1.61 5.04 -1.26 -4.98 117.35 117.85 3iq7 s TYR 736 Ca 0.64 0.16 0.04 0.00 -2.44 0.00 0.00 57.07 55.48 3iq7 s TYR 736 Cb -0.16 -3.38 0.17 0.00 0.35 0.00 0.00 41.96 38.93 3iq7 s TYR 736 CO 0.36 -0.82 0.42 -1.01 -1.34 0.00 0.00 175.55 173.15 3iq7 s HIS 737 N 2.93 2.59 -0.42 4.97 3.76 -1.26 -4.96 115.29 122.90 3iq7 s HIS 737 Ca 0.26 -2.92 0.15 0.00 -0.15 0.00 0.00 55.06 52.40 3iq7 s HIS 737 Cb -0.14 -2.03 0.84 0.00 1.11 0.00 0.00 32.58 32.36 3iq7 s HIS 737 CO 0.19 -0.66 1.47 -0.35 -0.85 0.00 0.00 174.74 174.53 3iq7 n PRO 738 N 2.42 0.10 0.14 8.40 -0.04 -1.26 -1.32 135.00 143.44 3iq7 n PRO 738 Ca 0.22 0.60 0.17 0.00 -0.04 0.00 0.00 63.50 64.45 3iq7 n PRO 738 Cb 0.39 -1.83 0.76 0.00 -0.04 0.00 0.00 33.50 32.78 3iq7 n PRO 738 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3iq7 h TYR 739 N 0.00 0.00 -0.26 0.54 3.20 -1.88 -1.49 116.97 117.07 3iq7 h TYR 739 Ca 0.00 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 3iq7 h TYR 739 Cb 0.01 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3iq7 h TYR 739 CO 0.00 0.00 0.06 0.66 -1.64 0.00 0.00 178.16 177.24 3iq7 h SER 740 N 0.00 0.33 -0.35 -2.11 4.64 -1.53 -0.05 113.55 114.48 3iq7 h SER 740 Ca 0.13 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 3iq7 h SER 740 Cb 0.65 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 3iq7 h SER 740 CO -0.00 0.35 0.17 0.78 -0.87 0.00 0.00 176.83 177.25 3iq7 h ASN 741 N 0.37 0.50 -0.38 4.97 2.35 -1.49 -2.46 115.58 119.43 3iq7 h ASN 741 Ca 0.09 -0.05 -0.11 0.00 -0.55 0.00 0.00 56.30 55.69 3iq7 h ASN 741 Cb 0.15 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3iq7 h ASN 741 CO -0.00 0.45 -0.18 0.58 -1.65 0.00 0.00 177.43 176.62 3iq7 h VAL 742 N 0.55 1.28 -0.66 2.81 2.07 -1.10 -1.37 116.25 119.83 3iq7 h VAL 742 Ca 0.14 -1.32 0.06 0.00 0.82 0.00 0.00 66.70 66.41 3iq7 h VAL 742 Cb 0.10 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 3iq7 h VAL 742 CO -0.02 0.44 0.36 -0.07 0.02 0.00 0.00 177.57 178.30 3iq7 h LEU 743 N 0.60 0.51 -0.42 2.57 3.38 -1.10 0.31 115.31 121.17 3iq7 h LEU 743 Ca 0.08 0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 3iq7 h LEU 743 Cb 0.74 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3iq7 h LEU 743 CO 0.06 0.33 -0.36 -0.50 0.09 0.00 0.00 178.44 178.06 3iq7 h TRP 744 N 0.65 1.13 -0.63 1.13 4.06 -1.29 -0.74 115.95 120.25 3iq7 h TRP 744 Ca 0.30 -0.33 -0.01 0.00 2.06 0.00 0.00 58.89 60.92 3iq7 h TRP 744 Cb 0.22 -0.24 -0.03 0.00 -1.00 0.00 0.00 29.16 28.11 3iq7 h TRP 744 CO -0.09 1.16 0.35 -0.07 -3.56 0.00 0.00 178.44 176.23 3iq7 h LEU 745 N 0.78 0.77 -0.19 -4.49 3.38 -0.74 0.82 115.31 115.64 3iq7 h LEU 745 Ca 0.07 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3iq7 h LEU 745 Cb 0.95 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3iq7 h LEU 745 CO 0.09 0.62 -0.04 -0.74 0.09 0.00 0.00 178.44 178.45 3iq7 h HIS 746 N 0.88 0.42 -0.65 1.13 2.76 -0.69 0.20 115.15 119.20 3iq7 h HIS 746 Ca 0.23 -0.09 0.12 0.00 -2.20 0.00 0.00 60.37 58.43 3iq7 h HIS 746 Cb 0.01 -0.10 -0.09 0.00 1.55 0.00 0.00 27.41 28.78 3iq7 h HIS 746 CO 0.00 0.62 0.18 -0.92 -1.30 0.00 0.00 177.93 176.51 3iq7 h TYR 747 N 0.09 0.29 -0.52 5.26 3.20 -0.74 -0.95 116.97 123.59 3iq7 h TYR 747 Ca 0.05 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.84 3iq7 h TYR 747 Cb 0.49 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 3iq7 h TYR 747 CO 0.05 -0.01 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.37 3iq7 h LEU 748 N 0.31 0.99 -0.80 2.82 3.38 -0.54 -1.85 115.31 119.62 3iq7 h LEU 748 Ca 0.35 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3iq7 h LEU 748 Cb 0.52 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3iq7 h LEU 748 CO -0.41 1.11 0.17 0.74 0.09 0.00 0.00 178.44 180.14 3iq7 h THR 749 N 0.87 1.26 -0.21 0.22 2.02 -0.55 -1.11 112.91 115.42 3iq7 h THR 749 Ca 0.13 -0.94 0.01 0.00 0.77 0.00 0.00 66.41 66.38 3iq7 h THR 749 Cb 0.68 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3iq7 h THR 749 CO 0.05 0.36 0.12 -0.78 0.37 0.00 0.00 175.52 175.64 3iq7 h ASP 750 N 1.02 0.20 -0.68 4.18 3.58 -0.95 -1.54 116.42 122.22 3iq7 h ASP 750 Ca 0.22 0.00 0.08 0.00 0.42 0.00 0.00 57.03 57.75 3iq7 h ASP 750 Cb 0.35 -0.04 -0.07 0.00 1.72 0.00 0.00 39.33 41.29 3iq7 h ASP 750 CO 0.00 0.15 0.34 0.11 -2.88 0.00 0.00 179.24 176.95 3iq7 h LYS 751 N 0.25 0.57 -0.36 0.28 1.79 -0.97 -0.93 116.57 117.20 3iq7 h LYS 751 Ca 0.08 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.47 3iq7 h LYS 751 Cb -0.01 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.50 3iq7 h LYS 751 CO -0.04 0.38 0.04 0.52 -1.08 0.00 0.00 179.45 179.27 3iq7 h MET 752 N 0.59 0.55 0.00 3.15 2.86 -0.69 0.05 114.93 121.44 3iq7 h MET 752 Ca 0.33 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.82 3iq7 h MET 752 Cb 0.33 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 3iq7 h MET 752 CO -0.25 0.54 -0.50 -0.07 1.06 0.00 0.00 176.91 177.69 3iq7 h LEU 753 N 0.53 0.00 0.00 1.22 3.38 -0.36 -3.39 115.31 116.69 3iq7 h LEU 753 Ca 0.12 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3iq7 h LEU 753 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3iq7 h LEU 753 CO 0.00 0.17 -1.16 0.29 0.09 0.00 0.00 178.44 177.84 3iq7 n LYS 754 N -3.00 2.88 -0.02 1.13 5.02 -0.44 -4.83 118.16 118.90 3iq7 n LYS 754 Ca 0.01 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.31 3iq7 n LYS 754 Cb 0.61 -1.06 0.02 0.00 -0.02 0.00 0.00 35.03 34.58 3iq7 n LYS 754 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3iq7 n GLN 755 N -2.19 2.77 -4.94 1.97 6.02 -0.01 -5.00 117.38 116.00 3iq7 n GLN 755 Ca -0.04 -1.52 -0.33 0.00 -0.01 0.00 0.00 57.00 55.11 3iq7 n GLN 755 Cb 0.57 -1.03 -0.14 0.00 1.02 0.00 0.00 30.24 30.66 3iq7 n GLN 755 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3iq7 s MET 756 N -0.95 2.54 -0.03 -1.09 -1.94 -1.21 -4.83 119.30 111.79 3iq7 s MET 756 Ca 0.03 -0.73 0.01 0.00 -1.71 0.00 0.00 55.69 53.30 3iq7 s MET 756 Cb 0.02 -2.35 -0.03 0.00 2.01 0.00 0.00 34.83 34.47 3iq7 s MET 756 CO 0.02 0.57 -0.04 0.95 -0.01 0.00 0.00 175.02 176.51 3iq7 s THR 757 N -0.60 3.85 0.06 2.05 -4.23 -0.04 -4.98 115.64 111.76 3iq7 s THR 757 Ca 0.09 -0.58 0.09 0.00 -1.18 0.00 0.00 61.69 60.11 3iq7 s THR 757 Cb -0.11 -2.65 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 3iq7 s THR 757 CO 0.01 0.48 -0.25 -0.36 -0.54 0.00 0.00 174.62 173.96 3iq7 s PHE 758 N -0.94 2.18 0.16 3.99 0.08 -1.26 -4.07 117.98 118.11 3iq7 s PHE 758 Ca 0.16 -0.40 -0.12 0.00 0.12 0.00 0.00 56.93 56.69 3iq7 s PHE 758 Cb -0.11 -1.27 0.04 0.00 -0.57 0.00 0.00 43.02 41.10 3iq7 s PHE 758 CO 0.05 0.16 1.65 -0.22 -0.10 0.00 0.00 175.22 176.76 3iq7 h LYS 759 N 4.61 0.88 -5.15 0.44 3.11 -0.95 -3.40 116.57 116.11 3iq7 h LYS 759 Ca -0.46 -0.23 -0.63 0.00 -2.81 0.00 0.00 60.65 56.51 3iq7 h LYS 759 Cb 1.15 -0.10 -0.20 0.00 -1.00 0.00 0.00 32.23 32.08 3iq7 h LYS 759 CO 0.43 0.86 -0.61 0.99 -2.81 0.00 0.00 179.45 178.31 3iq7 s THR 760 N -5.21 4.44 0.57 1.00 2.01 0.12 -5.04 115.64 113.53 3iq7 s THR 760 Ca -0.13 -0.15 -0.15 0.00 0.31 0.00 0.00 61.69 61.57 3iq7 s THR 760 Cb 0.12 -3.02 -0.05 0.00 0.01 0.00 0.00 72.50 69.56 3iq7 s THR 760 CO 0.81 0.42 1.03 -0.54 -0.69 0.00 0.00 174.62 175.65 3iq7 s LYS 761 N 0.86 3.56 -0.92 4.92 -0.14 -1.26 -4.55 119.74 122.20 3iq7 s LYS 761 Ca 0.03 1.06 -0.06 0.00 -1.36 0.00 0.00 55.97 55.64 3iq7 s LYS 761 Cb -0.14 -2.07 0.01 0.00 -1.68 0.00 0.00 37.83 33.95 3iq7 s LYS 761 CO 0.02 -0.61 2.77 0.00 -0.76 0.00 0.00 175.35 176.78 3iq7 n ASN 763 N 1.88 3.22 -4.72 0.00 3.02 -1.26 -3.80 115.26 113.60 3iq7 n ASN 763 Ca 0.58 -1.97 -0.23 0.00 -0.03 0.00 0.00 54.58 52.94 3iq7 n ASN 763 Cb 0.43 -0.35 -0.06 0.00 -0.61 0.00 0.00 39.78 39.19 3iq7 n ASN 763 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3iq7 s THR 764 N -1.31 3.49 0.09 3.41 -4.23 -1.26 -5.00 115.64 110.83 3iq7 s THR 764 Ca 0.40 -1.71 -0.21 0.00 -1.18 0.00 0.00 61.69 58.99 3iq7 s THR 764 Cb 0.22 -3.02 -0.11 0.00 1.34 0.00 0.00 72.50 70.93 3iq7 s THR 764 CO 0.29 -0.29 1.66 -0.65 -0.54 0.00 0.00 174.62 175.09 3iq7 h PRO 765 N 1.65 0.17 -1.01 3.99 0.11 -1.99 0.34 132.00 135.26 3iq7 h PRO 765 Ca -0.45 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.74 3iq7 h PRO 765 Cb 1.25 -0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.25 3iq7 h PRO 765 CO 0.61 0.23 0.64 0.00 -0.21 0.00 0.00 178.00 179.27 3iq7 h ALA 766 N 0.94 1.48 -0.04 -0.75 0.00 -1.97 -2.42 119.26 116.50 3iq7 h ALA 766 Ca 0.04 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3iq7 h ALA 766 Cb 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3iq7 h ALA 766 CO -0.01 0.30 -0.10 0.52 0.00 0.00 0.00 179.25 179.97 3iq7 h MET 767 N 1.06 0.14 -0.24 0.00 2.86 -1.86 -3.07 114.93 113.83 3iq7 h MET 767 Ca 0.48 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 3iq7 h MET 767 Cb 0.38 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 3iq7 h MET 767 CO -0.23 0.71 0.16 -0.22 1.06 0.00 0.00 176.91 178.39 3iq7 h LYS 768 N -0.41 0.32 -0.37 1.72 3.64 -0.77 -1.87 116.57 118.82 3iq7 h LYS 768 Ca -0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3iq7 h LYS 768 Cb 0.72 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 3iq7 h LYS 768 CO 0.02 0.21 0.10 0.37 -2.27 0.00 0.00 179.45 177.89 3iq7 h GLN 769 N 0.33 0.59 -0.33 1.90 4.15 -1.49 -0.63 115.11 119.62 3iq7 h GLN 769 Ca 0.09 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.38 3iq7 h GLN 769 Cb -0.04 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 3iq7 h GLN 769 CO -0.02 0.61 0.22 0.82 -1.93 0.00 0.00 178.83 178.53 3iq7 h ILE 770 N 0.45 1.08 -0.94 2.39 2.04 -1.26 -0.09 117.51 121.19 3iq7 h ILE 770 Ca 0.12 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.87 3iq7 h ILE 770 Cb 0.28 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 3iq7 h ILE 770 CO -0.00 0.08 0.62 0.50 0.00 0.00 0.00 178.15 179.34 3iq7 h LYS 771 N 0.44 1.12 -0.45 2.37 3.64 -1.29 -0.79 116.57 121.62 3iq7 h LYS 771 Ca 0.12 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 3iq7 h LYS 771 Cb -0.05 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.50 3iq7 h LYS 771 CO -0.03 0.74 -0.12 0.00 -2.27 0.00 0.00 179.45 177.77 3iq7 h ARG 772 N 1.15 0.82 -0.61 1.90 3.08 -0.36 -1.29 114.38 119.06 3iq7 h ARG 772 Ca 0.38 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 3iq7 h ARG 772 Cb 0.07 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3iq7 h ARG 772 CO -0.13 0.90 0.07 0.87 -1.07 0.00 0.00 179.97 180.61 3iq7 h LYS 773 N 0.74 1.02 -0.37 0.04 1.57 -0.18 -0.33 116.57 119.06 3iq7 h LYS 773 Ca 0.12 -0.28 -0.12 0.00 -1.87 0.00 0.00 60.65 58.50 3iq7 h LYS 773 Cb 0.62 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 3iq7 h LYS 773 CO 0.04 0.96 -0.27 0.82 -0.57 0.00 0.00 179.45 180.42 3iq7 h ILE 774 N 0.95 1.28 -0.47 1.86 2.04 -0.85 -0.53 117.51 121.78 3iq7 h ILE 774 Ca 0.18 -1.41 -0.11 0.00 1.00 0.00 0.00 64.86 64.53 3iq7 h ILE 774 Cb 0.46 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 3iq7 h ILE 774 CO 0.02 0.47 -0.13 1.56 0.00 0.00 0.00 178.15 180.06 3iq7 h GLN 775 N 0.66 0.88 -0.33 2.37 4.20 -1.07 -0.36 115.11 121.46 3iq7 h GLN 775 Ca 0.08 -0.32 -0.10 0.00 0.06 0.00 0.00 58.65 58.37 3iq7 h GLN 775 Cb 0.80 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.50 3iq7 h GLN 775 CO 0.07 0.96 -0.22 1.49 -0.67 0.00 0.00 178.83 180.45 3iq7 h GLU 776 N 0.79 0.65 -0.16 1.46 4.22 -0.72 -2.27 114.58 118.55 3iq7 h GLU 776 Ca 0.12 -0.25 -0.00 0.00 0.08 0.00 0.00 59.36 59.31 3iq7 h GLU 776 Cb 0.65 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3iq7 h GLU 776 CO 0.05 0.82 0.09 0.35 -2.18 0.00 0.00 179.01 178.13 3iq7 h PHE 777 N 0.57 0.21 -0.64 0.92 3.57 -0.89 -2.03 116.94 118.65 3iq7 h PHE 777 Ca 0.08 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.70 3iq7 h PHE 777 Cb 0.69 -0.07 -0.09 0.00 2.79 0.00 0.00 35.95 39.28 3iq7 h PHE 777 CO 0.03 0.21 0.19 1.25 -2.23 0.00 0.00 178.31 177.76 3iq7 h HIS 778 N 0.16 0.31 0.00 0.41 2.76 -0.78 0.21 115.15 118.22 3iq7 h HIS 778 Ca 0.05 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 3iq7 h HIS 778 Cb 0.06 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 28.98 3iq7 h HIS 778 CO -0.04 0.01 -0.21 2.89 -1.30 0.00 0.00 177.93 179.28 3iq7 n ARG 779 N -5.08 0.05 -0.01 5.26 1.85 -0.88 -4.08 116.66 113.78 3iq7 n ARG 779 Ca 0.10 0.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.99 3iq7 n ARG 779 Cb 0.34 -1.55 -0.04 0.00 -1.05 0.00 0.00 32.46 30.16 3iq7 n ARG 779 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3iq7 n THR 780 N -1.63 0.15 -0.09 8.89 -2.24 -0.78 -4.75 114.28 113.84 3iq7 n THR 780 Ca 0.06 -0.16 0.19 0.00 -2.27 0.00 0.00 64.05 61.88 3iq7 n THR 780 Cb 0.36 -0.19 0.62 0.00 -2.10 0.00 0.00 70.33 69.02 3iq7 n THR 780 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iq7 h MET 781 N 0.00 0.16 0.00 -0.78 -0.00 -0.74 -1.60 114.93 111.97 3iq7 h MET 781 Ca -0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.63 3iq7 h MET 781 Cb 0.72 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 32.28 3iq7 h MET 781 CO 0.00 0.10 0.00 1.28 -0.00 0.00 0.00 176.91 178.30 3iq7 n LEU 782 N -4.41 0.00 -1.12 -0.10 4.77 -1.26 -1.47 117.00 113.41 3iq7 n LEU 782 Ca 0.13 0.36 0.08 0.00 -0.03 0.00 0.00 56.01 56.54 3iq7 n LEU 782 Cb 0.62 -0.36 0.25 0.00 -2.33 0.00 0.00 43.42 41.60 3iq7 n LEU 782 CO 0.35 -0.21 0.70 0.59 -1.33 0.00 0.00 177.39 177.50 3iq7 n ASN 783 N -1.36 3.26 -4.69 -1.43 3.02 -0.60 -4.90 115.26 108.56 3iq7 n ASN 783 Ca 0.05 -2.17 -0.29 0.00 -0.03 0.00 0.00 54.58 52.14 3iq7 n ASN 783 Cb 0.12 -0.43 -0.08 0.00 -0.61 0.00 0.00 39.78 38.78 3iq7 n ASN 783 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3iq7 s PHE 784 N -1.53 2.96 -1.14 3.10 0.08 -0.54 -5.05 117.98 115.85 3iq7 s PHE 784 Ca 0.37 -0.06 0.23 0.00 0.12 0.00 0.00 56.93 57.59 3iq7 s PHE 784 Cb 0.22 -1.49 0.21 0.00 -0.57 0.00 0.00 43.02 41.39 3iq7 s PHE 784 CO 0.21 0.49 1.21 -1.13 -0.10 0.00 0.00 175.22 175.90 3iq7 n SER 785 N 0.30 0.85 -3.65 1.36 3.41 -1.26 -4.95 113.62 109.68 3iq7 n SER 785 Ca -0.10 -0.68 -0.03 0.00 -0.26 0.00 0.00 58.87 57.80 3iq7 n SER 785 Cb 0.53 0.54 -0.01 0.00 -0.26 0.00 0.00 64.21 65.01 3iq7 n SER 785 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3iq7 s SER 786 N -2.92 -0.17 0.28 4.04 1.04 -1.26 -2.76 113.70 111.95 3iq7 s SER 786 Ca 0.12 -0.19 -0.02 0.00 0.48 0.00 0.00 55.95 56.33 3iq7 s SER 786 Cb 0.17 0.32 0.42 0.00 0.10 0.00 0.00 66.02 67.04 3iq7 s SER 786 CO 0.74 -0.58 1.91 0.00 0.98 0.00 0.00 173.24 176.30 3iq7 h ALA 787 N 2.00 1.42 -0.40 5.32 0.00 -1.91 -1.76 119.26 123.93 3iq7 h ALA 787 Ca -0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3iq7 h ALA 787 Cb 1.22 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3iq7 h ALA 787 CO 0.27 0.47 0.26 1.15 0.00 0.00 0.00 179.25 181.40 3iq7 h THR 788 N 1.16 1.12 -0.38 0.00 2.02 -1.86 0.13 112.91 115.10 3iq7 h THR 788 Ca 0.39 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.33 3iq7 h THR 788 Cb 0.07 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3iq7 h THR 788 CO -0.13 0.11 0.22 -0.78 0.37 0.00 0.00 175.52 175.32 3iq7 h ASP 789 N 0.54 0.46 0.03 4.18 3.58 -1.84 -0.32 116.42 123.04 3iq7 h ASP 789 Ca 0.15 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.54 3iq7 h ASP 789 Cb -0.04 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 3iq7 h ASP 789 CO -0.03 0.38 -0.04 -0.07 -2.88 0.00 0.00 179.24 176.60 3iq7 h LEU 790 N 0.49 -0.11 -0.48 2.28 3.38 -1.04 -1.03 115.31 118.80 3iq7 h LEU 790 Ca 0.14 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.15 3iq7 h LEU 790 Cb 0.01 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3iq7 h LEU 790 CO -0.02 -0.07 0.28 0.25 0.09 0.00 0.00 178.44 178.97 3iq7 h LEU 791 N -0.09 0.44 0.00 1.67 5.85 -0.44 -0.38 115.31 122.37 3iq7 h LEU 791 Ca 0.01 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 3iq7 h LEU 791 Cb 0.09 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3iq7 h LEU 791 CO -0.02 0.31 -0.36 0.00 -0.34 0.00 0.00 178.44 178.03 3iq7 n GLN 793 N -3.14 2.39 -2.66 0.00 1.13 -0.40 -5.05 117.38 109.65 3iq7 n GLN 793 Ca 0.02 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.68 3iq7 n GLN 793 Cb 0.65 -0.75 -0.05 0.00 0.11 0.00 0.00 30.24 30.19 3iq7 n GLN 793 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 3iq7 s HIS 794 N -1.27 3.86 0.38 1.08 2.46 -0.17 -4.94 115.29 116.69 3iq7 s HIS 794 Ca 0.00 1.85 0.26 0.00 0.47 0.00 0.00 55.06 57.64 3iq7 s HIS 794 Cb 0.00 -3.08 1.36 0.00 -0.13 0.00 0.00 32.58 30.73 3iq7 s HIS 794 CO 0.00 0.13 2.04 0.66 -2.47 0.00 0.00 174.74 175.10 3iq7 h SER 795 N 4.07 0.00 -0.75 9.88 4.64 -1.96 -2.82 113.55 126.61 3iq7 h SER 795 Ca -0.45 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.06 3iq7 h SER 795 Cb 1.20 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.25 3iq7 h SER 795 CO 0.68 0.14 0.53 0.25 -0.87 0.00 0.00 176.83 177.55 3iq7 h LEU 796 N 0.00 0.14 -1.89 5.97 5.85 -1.92 -2.27 115.31 121.19 3iq7 h LEU 796 Ca -0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3iq7 h LEU 796 Cb 0.39 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3iq7 h LEU 796 CO 0.02 0.06 0.00 0.49 -0.34 0.00 0.00 178.44 178.67 3iq7 n PHE 797 N -4.38 0.13 1.70 1.25 3.72 -1.06 -5.12 117.46 113.70 3iq7 n PHE 797 Ca 0.15 -0.09 0.15 0.00 -0.05 0.00 0.00 57.45 57.61 3iq7 n PHE 797 Cb 0.73 -0.00 0.70 0.00 -0.94 0.00 0.00 39.48 39.96 3iq7 n PHE 797 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34