#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dlz n GLY 471 N 0.00 0.19 3.79 2.58 0.00 -1.26 -5.03 105.19 105.47 3dlz n GLY 471 Ca 0.00 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 3dlz n GLY 471 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dlz s PRO 472 N 0.00 1.04 0.22 1.61 0.04 -1.26 -4.95 135.00 131.71 3dlz s PRO 472 Ca 0.00 0.22 0.12 0.00 0.04 0.00 0.00 61.00 61.38 3dlz s PRO 472 Cb 0.00 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.66 3dlz s PRO 472 CO 0.00 -2.25 -0.23 0.14 0.04 0.00 0.00 177.00 174.70 3dlz s VAL 473 N -3.32 2.39 0.77 -0.36 -7.23 -0.08 -4.89 120.40 107.68 3dlz s VAL 473 Ca 0.65 -2.15 -0.12 0.00 -1.81 0.00 0.00 61.98 58.55 3dlz s VAL 473 Cb -0.14 -2.18 0.06 0.00 0.56 0.00 0.00 36.38 34.69 3dlz s VAL 473 CO 0.53 -0.20 1.14 -2.16 -0.31 0.00 0.00 175.10 174.10 3dlz s PRO 474 N -2.92 2.01 0.30 4.82 0.04 -1.26 -1.02 135.00 136.97 3dlz s PRO 474 Ca 0.24 1.47 0.04 0.00 0.04 0.00 0.00 61.00 62.78 3dlz s PRO 474 Cb -0.07 -1.85 0.65 0.00 0.04 0.00 0.00 34.50 33.27 3dlz s PRO 474 CO 0.11 -1.87 1.83 0.74 0.04 0.00 0.00 177.00 177.85 3dlz h PHE 475 N -0.87 1.07 -0.09 0.56 -1.00 -1.95 -1.91 116.94 112.75 3dlz h PHE 475 Ca -0.45 0.03 0.03 0.00 2.81 0.00 0.00 57.97 60.39 3dlz h PHE 475 Cb 1.26 -0.34 -0.00 0.00 3.61 0.00 0.00 35.95 40.48 3dlz h PHE 475 CO 0.52 0.37 0.14 0.66 -1.61 0.00 0.00 178.31 178.39 3dlz h SER 476 N 0.88 0.00 -0.67 2.17 4.64 -1.92 0.14 113.55 118.79 3dlz h SER 476 Ca 0.51 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.78 3dlz h SER 476 Cb 0.64 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.70 3dlz h SER 476 CO -0.29 0.00 0.21 -0.74 -0.87 0.00 0.00 176.83 175.14 3dlz h HIS 477 N 0.00 1.09 0.01 4.77 -0.00 -1.71 -2.73 115.15 116.59 3dlz h HIS 477 Ca 0.04 -0.11 -0.31 0.00 -0.00 0.00 0.00 60.37 59.99 3dlz h HIS 477 Cb 0.32 -0.32 -0.05 0.00 -0.00 0.00 0.00 27.41 27.36 3dlz h HIS 477 CO 0.00 0.87 -1.87 0.00 -0.00 0.00 0.00 177.93 176.93 3dlz n LEU 479 N -3.03 1.76 -4.58 0.00 4.77 0.32 -5.00 117.00 111.25 3dlz n LEU 479 Ca -0.21 -4.98 -0.31 0.00 -0.03 0.00 0.00 56.01 50.48 3dlz n LEU 479 Cb 1.07 -0.06 0.19 0.00 -2.33 0.00 0.00 43.42 42.29 3dlz n LEU 479 CO 0.44 1.97 0.50 -0.81 -1.33 0.00 0.00 177.39 178.17 3dlz n PRO 480 N 1.57 -1.00 -0.36 3.23 -0.05 -1.03 -4.38 135.00 132.98 3dlz n PRO 480 Ca 0.25 -0.24 -0.01 0.00 -0.05 0.00 0.00 63.50 63.45 3dlz n PRO 480 Cb 0.45 -2.24 0.04 0.00 -0.05 0.00 0.00 33.50 31.69 3dlz n PRO 480 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 175.50 176.60 3dlz h THR 481 N -2.08 0.02 -0.51 0.52 2.02 -1.99 -0.78 112.91 110.11 3dlz h THR 481 Ca -0.48 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 3dlz h THR 481 Cb 1.29 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 3dlz h THR 481 CO 0.42 0.00 0.24 -0.08 0.37 0.00 0.00 175.52 176.47 3dlz h GLU 482 N -0.02 0.74 -0.54 6.66 4.81 -1.99 -0.35 114.58 123.89 3dlz h GLU 482 Ca 0.34 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.35 3dlz h GLU 482 Cb 0.59 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 3dlz h GLU 482 CO -0.96 0.63 -0.05 -0.22 -0.73 0.00 0.00 179.01 177.67 3dlz h LYS 483 N 0.69 0.96 -0.37 1.92 3.64 -1.60 -2.51 116.57 119.30 3dlz h LYS 483 Ca 0.18 -0.32 -0.07 0.00 -1.27 0.00 0.00 60.65 59.17 3dlz h LYS 483 Cb 0.13 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3dlz h LYS 483 CO -0.02 0.98 -0.06 1.25 -2.27 0.00 0.00 179.45 179.34 3dlz h LEU 484 N 0.87 0.68 -1.73 5.20 5.85 -0.90 -2.78 115.31 122.51 3dlz h LEU 484 Ca 0.15 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.53 3dlz h LEU 484 Cb 0.59 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3dlz h LEU 484 CO 0.04 0.87 0.19 1.56 -0.34 0.00 0.00 178.44 180.76 3dlz h GLN 485 N 0.49 0.36 -0.00 1.25 4.20 -0.94 -2.10 115.11 118.36 3dlz h GLN 485 Ca 0.10 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3dlz h GLN 485 Cb 0.55 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3dlz h GLN 485 CO 0.03 0.24 -0.11 0.54 -0.67 0.00 0.00 178.83 178.86 3dlz n ARG 486 N -4.49 0.54 -2.12 1.46 1.74 -0.96 -4.92 116.66 107.91 3dlz n ARG 486 Ca 0.02 -0.16 -0.41 0.00 -0.77 0.00 0.00 57.85 56.53 3dlz n ARG 486 Cb 0.09 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.01 3dlz n ARG 486 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dlz s GLU 488 N -1.33 0.63 0.13 0.00 2.02 -0.45 -4.87 118.70 114.83 3dlz s GLU 488 Ca 0.51 -0.24 -0.31 0.00 0.02 0.00 0.00 54.97 54.96 3dlz s GLU 488 Cb -0.39 -0.61 -0.07 0.00 0.10 0.00 0.00 34.13 33.15 3dlz s GLU 488 CO 0.49 0.12 1.28 0.21 0.02 0.00 0.00 175.26 177.38 3dlz s LYS 489 N -0.01 4.40 -0.00 1.61 2.20 -1.26 -0.25 119.74 126.43 3dlz s LYS 489 Ca 0.01 1.94 0.00 0.00 -0.36 0.00 0.00 55.97 57.56 3dlz s LYS 489 Cb -0.05 -3.26 -0.00 0.00 -1.51 0.00 0.00 37.83 33.01 3dlz s LYS 489 CO -0.00 -0.28 0.01 0.44 -0.36 0.00 0.00 175.35 175.16 3dlz n ILE 490 N 3.39 0.00 -3.76 5.43 -5.35 0.01 -4.89 119.36 114.20 3dlz n ILE 490 Ca 0.08 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 3dlz n ILE 490 Cb 0.44 0.93 0.00 0.00 -1.74 0.00 0.00 39.64 39.27 3dlz n ILE 490 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3dlz s GLY 491 N -1.15 -0.24 0.29 3.28 0.00 -0.98 -5.01 107.32 103.51 3dlz s GLY 491 Ca 0.00 0.30 -0.15 0.00 0.00 0.00 0.00 44.72 44.87 3dlz s GLY 491 CO 0.01 1.64 0.62 -1.83 0.00 0.00 0.00 173.10 173.54 3dlz s GLU 492 N -2.44 1.80 0.18 2.90 -1.05 -1.26 -0.89 118.70 117.94 3dlz s GLU 492 Ca 0.18 -1.25 -0.12 0.00 -0.15 0.00 0.00 54.97 53.64 3dlz s GLU 492 Cb 0.02 0.55 0.04 0.00 -0.44 0.00 0.00 34.13 34.30 3dlz s GLU 492 CO -0.01 -0.80 0.59 0.41 0.95 0.00 0.00 175.26 176.41 3dlz n GLY 493 N -0.46 1.08 0.26 -3.83 0.00 -0.64 -4.99 105.19 96.61 3dlz n GLY 493 Ca -0.03 -1.11 0.02 0.00 0.00 0.00 0.00 46.02 44.89 3dlz n GLY 493 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3dlz h VAL 494 N 1.64 1.16 -0.77 1.61 -1.51 -1.96 -2.43 116.25 113.99 3dlz h VAL 494 Ca -0.19 -0.65 0.20 0.00 -1.23 0.00 0.00 66.70 64.82 3dlz h VAL 494 Cb 0.78 1.01 -0.04 0.00 -2.13 0.00 0.00 31.29 30.92 3dlz h VAL 494 CO 0.25 0.22 0.54 2.19 -1.23 0.00 0.00 177.57 179.54 3dlz h PHE 495 N 0.35 0.18 0.00 5.19 -5.15 -1.95 -3.44 116.94 112.12 3dlz h PHE 495 Ca 0.08 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.85 3dlz h PHE 495 Cb 0.28 -0.06 0.00 0.00 0.22 0.00 0.00 35.95 36.39 3dlz h PHE 495 CO 0.01 0.06 0.00 0.41 -2.00 0.00 0.00 178.31 176.78 3dlz n GLY 496 N -1.62 0.32 3.03 6.09 0.00 -0.92 -4.12 105.19 107.96 3dlz n GLY 496 Ca 0.15 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.88 3dlz n GLY 496 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dlz s GLU 497 N -1.98 0.50 -0.09 1.61 0.41 -0.82 -1.62 118.70 116.72 3dlz s GLU 497 Ca 0.00 -0.57 0.02 0.00 -0.41 0.00 0.00 54.97 54.01 3dlz s GLU 497 Cb 0.00 -0.34 0.02 0.00 -1.78 0.00 0.00 34.13 32.02 3dlz s GLU 497 CO 0.00 0.07 -0.13 0.08 -0.49 0.00 0.00 175.26 174.80 3dlz s VAL 498 N -0.96 1.24 0.16 2.63 1.01 -0.07 -0.63 120.40 123.78 3dlz s VAL 498 Ca -0.06 -0.51 0.10 0.00 0.00 0.00 0.00 61.98 61.52 3dlz s VAL 498 Cb -0.07 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 3dlz s VAL 498 CO 0.00 0.39 -0.23 -0.36 0.00 0.00 0.00 175.10 174.90 3dlz s PHE 499 N 0.92 2.11 -0.07 5.22 0.08 0.16 -0.81 117.98 125.61 3dlz s PHE 499 Ca -0.09 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.58 3dlz s PHE 499 Cb -0.15 -1.09 -0.03 0.00 -0.57 0.00 0.00 43.02 41.18 3dlz s PHE 499 CO 0.00 0.38 -0.10 -1.14 -0.10 0.00 0.00 175.22 174.25 3dlz s GLN 500 N -2.41 2.70 0.00 0.44 0.74 0.65 0.42 119.66 122.20 3dlz s GLN 500 Ca 0.16 -0.62 0.00 0.00 0.05 0.00 0.00 55.36 54.95 3dlz s GLN 500 Cb -0.08 -2.51 0.00 0.00 1.10 0.00 0.00 33.01 31.52 3dlz s GLN 500 CO 0.07 0.61 0.00 -2.37 -0.55 0.00 0.00 175.29 173.05 3dlz n THR 501 N 2.38 0.00 -4.71 -0.34 5.66 -0.41 -1.34 114.28 115.51 3dlz n THR 501 Ca -0.18 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.57 3dlz n THR 501 Cb 0.53 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.14 3dlz n THR 501 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3dlz s ILE 502 N -1.45 1.30 -0.02 1.09 -1.09 -1.26 -1.17 121.20 118.60 3dlz s ILE 502 Ca 0.00 -0.59 0.01 0.00 -2.23 0.00 0.00 60.65 57.84 3dlz s ILE 502 Cb 0.00 -1.16 0.01 0.00 -1.58 0.00 0.00 42.46 39.74 3dlz s ILE 502 CO 0.00 0.39 -0.02 0.00 -1.23 0.00 0.00 174.94 174.08 3dlz s ALA 503 N 0.48 0.33 -1.30 9.38 0.00 -0.26 -4.84 121.76 125.55 3dlz s ALA 503 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 51.96 51.72 3dlz s ALA 503 Cb -0.15 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.77 3dlz s ALA 503 CO 0.04 0.00 0.54 -0.25 0.00 0.00 0.00 175.76 176.10 3dlz n ASP 504 N 3.58 -2.33 -1.66 0.00 8.00 -1.26 -1.90 116.55 120.98 3dlz n ASP 504 Ca -0.20 -1.07 -0.19 0.00 0.71 0.00 0.00 54.79 54.04 3dlz n ASP 504 Cb 0.54 -2.87 -0.06 0.00 -0.02 0.00 0.00 41.12 38.71 3dlz n ASP 504 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3dlz n HIS 505 N -4.43 -0.25 -3.78 1.24 8.25 -1.26 -4.94 115.22 110.05 3dlz n HIS 505 Ca -0.22 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.12 3dlz n HIS 505 Cb 0.64 -3.37 -0.12 0.00 1.12 0.00 0.00 29.99 28.27 3dlz n HIS 505 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3dlz s THR 506 N -2.78 -0.01 0.51 1.59 2.01 -0.80 -5.14 115.64 111.03 3dlz s THR 506 Ca 0.00 0.02 -0.23 0.00 0.31 0.00 0.00 61.69 61.79 3dlz s THR 506 Cb 0.00 -0.37 -0.06 0.00 0.01 0.00 0.00 72.50 72.08 3dlz s THR 506 CO 0.00 0.01 1.39 -2.65 -0.69 0.00 0.00 174.62 172.67 3dlz n PRO 507 N 3.11 1.91 -4.15 4.92 -0.02 -1.26 -1.10 135.00 138.41 3dlz n PRO 507 Ca -0.14 0.69 -0.11 0.00 -2.02 0.00 0.00 63.50 61.91 3dlz n PRO 507 Cb 0.58 -2.59 -0.10 0.00 -0.02 0.00 0.00 33.50 31.36 3dlz n PRO 507 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3dlz s VAL 508 N -1.25 0.70 -0.11 -1.45 -7.23 -0.31 -3.84 120.40 106.90 3dlz s VAL 508 Ca 0.67 -1.74 0.01 0.00 -1.81 0.00 0.00 61.98 59.12 3dlz s VAL 508 Cb -0.43 -1.44 -0.02 0.00 0.56 0.00 0.00 36.38 35.06 3dlz s VAL 508 CO 0.52 -0.74 -0.14 0.00 -0.31 0.00 0.00 175.10 174.43 3dlz s ALA 509 N -3.05 2.59 -0.20 1.32 0.00 -0.31 -1.29 121.76 120.81 3dlz s ALA 509 Ca 0.07 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.13 3dlz s ALA 509 Cb 0.01 -1.14 0.03 0.00 0.00 0.00 0.00 23.12 22.03 3dlz s ALA 509 CO -0.03 0.31 -0.16 0.42 0.00 0.00 0.00 175.76 176.30 3dlz s ILE 510 N 0.16 1.99 -0.27 0.00 -1.09 0.17 -0.17 121.20 122.00 3dlz s ILE 510 Ca -0.08 -1.12 -0.11 0.00 -2.23 0.00 0.00 60.65 57.11 3dlz s ILE 510 Cb -0.15 -1.93 -0.05 0.00 -1.58 0.00 0.00 42.46 38.75 3dlz s ILE 510 CO 0.05 0.32 0.19 -0.75 -1.23 0.00 0.00 174.94 173.52 3dlz s LYS 511 N 1.27 3.99 -0.25 2.79 2.20 0.21 -0.66 119.74 129.28 3dlz s LYS 511 Ca 0.00 -0.29 -0.01 0.00 -0.36 0.00 0.00 55.97 55.31 3dlz s LYS 511 Cb -0.15 -3.62 0.03 0.00 -1.51 0.00 0.00 37.83 32.57 3dlz s LYS 511 CO -0.10 -0.11 -0.06 0.42 -0.36 0.00 0.00 175.35 175.13 3dlz s ILE 512 N 1.56 2.82 -0.21 5.43 1.01 0.19 -0.95 121.20 131.06 3dlz s ILE 512 Ca 0.07 -1.07 0.02 0.00 0.00 0.00 0.00 60.65 59.67 3dlz s ILE 512 Cb -0.15 -2.45 0.03 0.00 0.01 0.00 0.00 42.46 39.90 3dlz s ILE 512 CO 0.09 0.18 -0.17 -0.63 0.00 0.00 0.00 174.94 174.41 3dlz s ILE 513 N 1.31 2.10 0.09 2.92 1.01 -0.22 -1.94 121.20 126.47 3dlz s ILE 513 Ca -0.00 -1.20 -0.31 0.00 0.00 0.00 0.00 60.65 59.14 3dlz s ILE 513 Cb -0.17 -2.01 -0.07 0.00 0.01 0.00 0.00 42.46 40.22 3dlz s ILE 513 CO -0.05 0.33 1.37 0.00 0.00 0.00 0.00 174.94 176.60 3dlz s ALA 514 N 1.22 3.56 0.11 9.38 0.00 -1.26 0.12 121.76 134.90 3dlz s ALA 514 Ca -0.00 1.05 0.05 0.00 0.00 0.00 0.00 51.96 53.06 3dlz s ALA 514 Cb -0.16 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 3dlz s ALA 514 CO -0.10 -0.65 -0.13 0.96 0.00 0.00 0.00 175.76 175.84 3dlz s ILE 515 N 1.33 1.20 0.00 0.00 -4.36 -0.25 -4.15 121.20 114.97 3dlz s ILE 515 Ca 0.64 -1.65 0.00 0.00 -0.26 0.00 0.00 60.65 59.38 3dlz s ILE 515 Cb -0.35 -1.43 0.00 0.00 1.25 0.00 0.00 42.46 41.93 3dlz s ILE 515 CO 0.30 -0.43 0.00 -0.62 0.24 0.00 0.00 174.94 174.42 3dlz n GLU 516 N 0.63 -0.02 -3.57 0.37 -0.58 0.10 -4.05 120.64 113.51 3dlz n GLU 516 Ca -0.16 0.01 -0.31 0.00 -0.42 0.00 0.00 57.16 56.27 3dlz n GLU 516 Cb 0.57 -2.79 -0.05 0.00 -0.57 0.00 0.00 31.44 28.60 3dlz n GLU 516 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3dlz s GLY 517 N -2.00 2.22 0.20 0.62 0.00 -1.26 -5.00 107.32 102.09 3dlz s GLY 517 Ca 0.00 -0.48 0.26 0.00 0.00 0.00 0.00 44.72 44.51 3dlz s GLY 517 CO 0.00 -0.38 1.78 -1.55 0.00 0.00 0.00 173.10 172.96 3dlz n PRO 518 N -0.06 0.24 -2.56 2.90 -0.04 -1.26 -4.36 135.00 129.85 3dlz n PRO 518 Ca -0.01 0.21 -0.40 0.00 -0.04 0.00 0.00 63.50 63.26 3dlz n PRO 518 Cb 0.52 -1.78 -0.05 0.00 -0.04 0.00 0.00 33.50 32.15 3dlz n PRO 518 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dlz s ASP 519 N -4.39 7.35 0.19 3.54 1.01 -1.26 -4.93 116.67 118.19 3dlz s ASP 519 Ca 0.11 2.16 -0.30 0.00 0.71 0.00 0.00 52.55 55.22 3dlz s ASP 519 Cb 0.13 -2.62 -0.08 0.00 1.01 0.00 0.00 42.92 41.35 3dlz s ASP 519 CO 0.58 -0.07 1.27 -0.76 0.21 0.00 0.00 175.17 176.40 3dlz s LEU 520 N -1.45 4.43 -0.10 1.23 1.43 -1.26 -4.19 118.68 118.76 3dlz s LEU 520 Ca 0.44 2.35 0.01 0.00 -1.03 0.00 0.00 54.13 55.90 3dlz s LEU 520 Cb -0.29 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.33 3dlz s LEU 520 CO 0.37 -0.48 -0.13 -0.69 0.23 0.00 0.00 176.35 175.66 3dlz s VAL 521 N 0.05 1.33 -1.14 -1.59 1.01 0.13 -4.69 120.40 115.50 3dlz s VAL 521 Ca 0.55 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 3dlz s VAL 521 Cb -0.35 -1.24 0.04 0.00 0.00 0.00 0.00 36.38 34.83 3dlz s VAL 521 CO 0.38 0.41 0.29 0.59 0.00 0.00 0.00 175.10 176.77 3dlz n ASN 522 N 4.28 -3.69 0.00 3.32 3.02 -1.26 -1.69 115.26 119.23 3dlz n ASN 522 Ca -0.19 -0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.23 3dlz n ASN 522 Cb 0.51 -3.09 0.00 0.00 -0.61 0.00 0.00 39.78 36.59 3dlz n ASN 522 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dlz n GLY 523 N -1.02 1.49 3.40 7.41 0.00 -1.26 -4.93 105.19 110.28 3dlz n GLY 523 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 3dlz n GLY 523 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dlz s SER 524 N -3.20 3.28 0.59 1.61 0.01 -0.69 -5.07 113.70 110.24 3dlz s SER 524 Ca 0.00 -0.84 -0.20 0.00 1.31 0.00 0.00 55.95 56.22 3dlz s SER 524 Cb 0.00 -0.23 -0.03 0.00 0.21 0.00 0.00 66.02 65.97 3dlz s SER 524 CO 0.00 0.11 1.30 -1.00 0.41 0.00 0.00 173.24 174.06 3dlz s HIS 525 N -1.59 2.25 0.51 2.43 3.76 -1.26 -0.69 115.29 120.69 3dlz s HIS 525 Ca 0.18 1.45 -0.21 0.00 -0.15 0.00 0.00 55.06 56.33 3dlz s HIS 525 Cb -0.08 -3.69 -0.06 0.00 1.11 0.00 0.00 32.58 29.86 3dlz s HIS 525 CO 0.09 -2.73 1.17 -0.65 -0.85 0.00 0.00 174.74 171.77 3dlz s GLN 526 N -3.15 3.50 0.69 1.40 -0.21 -1.26 -4.82 119.66 115.81 3dlz s GLN 526 Ca 0.77 1.77 -0.14 0.00 0.02 0.00 0.00 55.36 57.77 3dlz s GLN 526 Cb -0.37 -2.22 0.02 0.00 1.00 0.00 0.00 33.01 31.43 3dlz s GLN 526 CO 0.41 -0.76 1.11 0.15 -2.12 0.00 0.00 175.29 174.08 3dlz s LYS 527 N -2.96 2.63 0.62 2.91 1.02 -1.26 -4.58 119.74 118.13 3dlz s LYS 527 Ca 0.69 1.36 -0.06 0.00 0.02 0.00 0.00 55.97 57.97 3dlz s LYS 527 Cb -0.28 -1.93 0.03 0.00 -0.52 0.00 0.00 37.83 35.12 3dlz s LYS 527 CO 0.33 -1.38 0.93 0.95 -0.92 0.00 0.00 175.35 175.27 3dlz s THR 528 N -2.45 3.20 0.42 2.17 -4.23 -1.26 0.02 115.64 113.51 3dlz s THR 528 Ca 0.66 -0.11 0.10 0.00 -1.18 0.00 0.00 61.69 61.16 3dlz s THR 528 Cb -0.20 -3.30 0.29 0.00 1.34 0.00 0.00 72.50 70.63 3dlz s THR 528 CO 0.45 -0.31 2.04 0.15 -0.54 0.00 0.00 174.62 176.41 3dlz h PHE 529 N -0.29 0.47 -0.53 3.99 3.57 -1.96 -2.12 116.94 120.07 3dlz h PHE 529 Ca -0.45 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.00 3dlz h PHE 529 Cb 1.28 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.84 3dlz h PHE 529 CO 0.43 0.27 0.06 0.93 -2.23 0.00 0.00 178.31 177.77 3dlz h GLU 530 N 0.48 0.85 0.00 1.11 4.39 -2.00 0.00 114.58 119.41 3dlz h GLU 530 Ca 0.19 -0.21 -0.10 0.00 0.34 0.00 0.00 59.36 59.58 3dlz h GLU 530 Cb 0.14 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3dlz h GLU 530 CO -0.05 0.81 -0.46 0.93 -1.16 0.00 0.00 179.01 179.08 3dlz h GLU 531 N 0.80 0.00 0.00 2.33 3.07 -1.78 -3.26 114.58 115.74 3dlz h GLU 531 Ca 0.16 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.94 3dlz h GLU 531 Cb 0.39 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 3dlz h GLU 531 CO 0.01 0.46 -1.01 0.97 -1.40 0.00 0.00 179.01 178.04 3dlz h ILE 532 N 0.00 0.33 -0.93 3.13 6.09 -0.86 -3.39 117.51 121.88 3dlz h ILE 532 Ca -0.00 -1.58 0.11 0.00 -1.37 0.00 0.00 64.86 62.01 3dlz h ILE 532 Cb 0.95 1.89 -0.08 0.00 0.47 0.00 0.00 36.82 40.06 3dlz h ILE 532 CO 0.06 0.19 0.57 0.25 -3.07 0.00 0.00 178.15 176.14 3dlz h LEU 533 N 0.00 0.82 -0.86 2.19 5.85 -1.05 -1.77 115.31 120.49 3dlz h LEU 533 Ca -0.07 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.78 3dlz h LEU 533 Cb 1.30 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 42.14 3dlz h LEU 533 CO 0.03 0.45 0.52 -0.65 -0.34 0.00 0.00 178.44 178.45 3dlz h PRO 534 N 0.91 0.88 -0.44 5.25 0.11 -1.77 -0.20 132.00 136.74 3dlz h PRO 534 Ca 0.46 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.45 3dlz h PRO 534 Cb 0.43 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 3dlz h PRO 534 CO -0.26 0.58 0.02 1.49 -0.21 0.00 0.00 178.00 179.62 3dlz h GLU 535 N 0.91 0.71 0.02 1.05 4.81 -1.52 -1.21 114.58 119.35 3dlz h GLU 535 Ca 0.39 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3dlz h GLU 535 Cb 0.26 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.55 3dlz h GLU 535 CO -0.21 0.71 -0.01 0.82 -0.73 0.00 0.00 179.01 179.60 3dlz h ILE 536 N 0.67 1.25 -0.47 2.32 2.04 -1.07 -0.57 117.51 121.68 3dlz h ILE 536 Ca 0.14 -0.83 0.06 0.00 1.00 0.00 0.00 64.86 65.23 3dlz h ILE 536 Cb 0.39 1.81 -0.05 0.00 -0.74 0.00 0.00 36.82 38.23 3dlz h ILE 536 CO 0.01 0.21 0.17 0.40 0.00 0.00 0.00 178.15 178.94 3dlz h ILE 537 N -0.39 0.85 -0.22 -0.67 2.04 -0.91 -2.17 117.51 116.05 3dlz h ILE 537 Ca -0.00 -0.12 -0.19 0.00 1.00 0.00 0.00 64.86 65.55 3dlz h ILE 537 Cb 0.37 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3dlz h ILE 537 CO 0.00 0.06 -0.62 0.40 0.00 0.00 0.00 178.15 177.99 3dlz h ILE 538 N 0.34 1.29 -0.86 -0.67 2.04 -1.19 -1.02 117.51 117.45 3dlz h ILE 538 Ca 0.22 -1.84 0.08 0.00 1.00 0.00 0.00 64.86 64.33 3dlz h ILE 538 Cb 0.23 1.78 -0.07 0.00 -0.74 0.00 0.00 36.82 38.02 3dlz h ILE 538 CO -0.23 0.59 0.52 0.28 0.00 0.00 0.00 178.15 179.30 3dlz h SER 539 N 0.56 0.78 -0.15 1.72 0.02 -0.96 0.93 113.55 116.45 3dlz h SER 539 Ca -0.01 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 3dlz h SER 539 Cb 1.22 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 3dlz h SER 539 CO 0.13 0.47 -0.03 0.11 -1.14 0.00 0.00 176.83 176.37 3dlz h LYS 540 N 0.90 0.29 -0.08 3.45 1.57 -1.06 -2.39 116.57 119.25 3dlz h LYS 540 Ca 0.40 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3dlz h LYS 540 Cb 0.29 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 3dlz h LYS 540 CO -0.21 0.55 0.04 0.93 -0.57 0.00 0.00 179.45 180.19 3dlz h GLU 541 N -0.00 0.11 0.00 3.15 4.39 -0.85 -2.84 114.58 118.55 3dlz h GLU 541 Ca 0.04 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 3dlz h GLU 541 Cb 0.44 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 3dlz h GLU 541 CO 0.01 0.17 -0.23 -0.07 -1.16 0.00 0.00 179.01 177.74 3dlz h LEU 542 N 0.02 0.00 -1.62 1.33 3.38 -0.88 -1.88 115.31 115.66 3dlz h LEU 542 Ca 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3dlz h LEU 542 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3dlz h LEU 542 CO -0.00 0.23 -0.21 -1.28 0.09 0.00 0.00 178.44 177.26 3dlz h SER 543 N 0.00 0.00 1.02 -0.43 0.87 -1.19 -2.50 113.55 111.32 3dlz h SER 543 Ca -0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 3dlz h SER 543 Cb 0.40 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 3dlz h SER 543 CO 0.03 0.21 -0.10 -0.07 -0.53 0.00 0.00 176.83 176.37 3dlz h LEU 544 N 0.00 0.00 -2.65 2.23 3.38 -1.18 -3.32 115.31 113.76 3dlz h LEU 544 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dlz h LEU 544 Cb 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3dlz h LEU 544 CO 0.03 0.10 -0.01 -0.07 0.09 0.00 0.00 178.44 178.58 3dlz h LEU 545 N 0.00 0.00 -1.90 1.67 3.38 -1.50 -1.70 115.31 115.27 3dlz h LEU 545 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dlz h LEU 545 Cb 0.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 3dlz h LEU 545 CO 0.01 0.01 -0.01 0.77 0.09 0.00 0.00 178.44 179.31 3dlz h SER 546 N 0.00 0.00 0.00 -0.43 4.64 -1.61 -1.66 113.55 114.49 3dlz h SER 546 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dlz h SER 546 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3dlz h SER 546 CO 0.00 0.01 -0.11 0.61 -0.87 0.00 0.00 176.83 176.47 3dlz n GLY 547 N -0.30 0.89 3.74 -0.77 0.00 -0.66 -4.72 105.19 103.37 3dlz n GLY 547 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3dlz n GLY 547 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dlz s GLU 548 N -1.08 2.73 -0.17 1.61 0.41 -1.09 -4.97 118.70 116.13 3dlz s GLU 548 Ca 0.00 1.90 -0.25 0.00 -0.41 0.00 0.00 54.97 56.21 3dlz s GLU 548 Cb 0.00 -1.89 -0.23 0.00 -1.78 0.00 0.00 34.13 30.23 3dlz s GLU 548 CO 0.00 -1.42 0.51 0.28 -0.49 0.00 0.00 175.26 174.14 3dlz h VAL 549 N 0.62 1.38 -0.04 2.63 2.07 -1.94 -3.38 116.25 117.60 3dlz h VAL 549 Ca -0.50 -2.26 -0.21 0.00 0.82 0.00 0.00 66.70 64.55 3dlz h VAL 549 Cb 1.31 2.84 -0.00 0.00 -1.52 0.00 0.00 31.29 33.92 3dlz h VAL 549 CO 0.54 0.47 -0.84 0.00 0.02 0.00 0.00 177.57 177.75 3dlz s ASN 551 N -7.03 2.46 -0.01 0.00 0.01 -1.26 -0.48 114.94 108.63 3dlz s ASN 551 Ca -0.06 -0.62 0.00 0.00 -0.71 0.00 0.00 52.86 51.48 3dlz s ASN 551 Cb 0.10 -0.42 0.01 0.00 0.41 0.00 0.00 41.25 41.35 3dlz s ASN 551 CO 0.86 -0.31 0.01 -0.60 -1.51 0.00 0.00 177.10 175.55 3dlz s ARG 552 N 1.99 -0.01 -0.07 -0.60 3.52 -0.52 -4.48 118.95 118.79 3dlz s ARG 552 Ca 0.01 0.06 -0.30 0.00 -0.13 0.00 0.00 55.73 55.37 3dlz s ARG 552 Cb -0.16 -0.09 0.07 0.00 -1.56 0.00 0.00 34.95 33.22 3dlz s ARG 552 CO -0.08 -0.05 0.68 -0.08 -0.81 0.00 0.00 175.30 174.96 3dlz s THR 553 N 0.35 0.00 -2.03 4.11 -1.32 -0.62 -1.33 115.64 114.80 3dlz s THR 553 Ca -0.03 -0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.61 3dlz s THR 553 Cb -0.04 -1.00 0.44 0.00 -1.51 0.00 0.00 72.50 70.39 3dlz s THR 553 CO -0.01 -0.00 1.37 -0.62 -2.21 0.00 0.00 174.62 173.15 3dlz n GLU 554 N 1.05 2.13 0.00 7.08 1.02 -1.26 -2.69 120.64 127.97 3dlz n GLU 554 Ca -0.19 -1.76 0.15 0.00 -0.02 0.00 0.00 57.16 55.34 3dlz n GLU 554 Cb 0.57 -1.39 0.87 0.00 -0.02 0.00 0.00 31.44 31.47 3dlz n GLU 554 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dlz n GLY 555 N 1.29 -0.98 0.00 0.62 0.00 -1.26 -4.69 105.19 100.17 3dlz n GLY 555 Ca 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3dlz n GLY 555 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dlz n PHE 556 N -1.04 0.00 -4.61 1.61 3.72 -1.26 -0.34 117.46 115.55 3dlz n PHE 556 Ca 0.21 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.39 3dlz n PHE 556 Cb 0.12 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.51 3dlz n PHE 556 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 3dlz s ILE 557 N 3.05 1.05 0.19 4.37 1.10 -1.23 -4.12 121.20 125.61 3dlz s ILE 557 Ca 0.00 -0.56 -0.31 0.00 -0.51 0.00 0.00 60.65 59.27 3dlz s ILE 557 Cb 0.00 -0.88 -0.09 0.00 0.15 0.00 0.00 42.46 41.63 3dlz s ILE 557 CO 0.00 0.30 1.43 -0.83 -2.11 0.00 0.00 174.94 173.73 3dlz s GLY 558 N -0.27 2.11 -0.25 1.50 0.00 -1.26 -4.25 107.32 104.90 3dlz s GLY 558 Ca 0.04 1.25 -0.09 0.00 0.00 0.00 0.00 44.72 45.91 3dlz s GLY 558 CO -0.00 2.32 0.13 -2.27 0.00 0.00 0.00 173.10 173.28 3dlz s LEU 559 N 0.32 3.83 -0.10 0.66 2.96 -1.26 -0.49 118.68 124.59 3dlz s LEU 559 Ca 0.62 -0.04 -0.19 0.00 -0.22 0.00 0.00 54.13 54.31 3dlz s LEU 559 Cb -0.40 -2.04 -0.28 0.00 0.50 0.00 0.00 46.19 43.98 3dlz s LEU 559 CO 0.37 0.00 0.63 0.78 -1.32 0.00 0.00 176.35 176.82 3dlz h ASN 560 N 7.96 0.35 -4.59 3.68 2.35 -1.00 -3.48 115.58 120.85 3dlz h ASN 560 Ca -0.37 -0.86 0.11 0.00 -0.55 0.00 0.00 56.30 54.63 3dlz h ASN 560 Cb 1.18 -0.11 -0.16 0.00 0.05 0.00 0.00 38.32 39.28 3dlz h ASN 560 CO 0.60 1.51 0.51 -0.94 -1.65 0.00 0.00 177.43 177.45 3dlz s SER 561 N -6.94 -0.36 -0.02 5.81 1.04 -1.15 -5.02 113.70 107.06 3dlz s SER 561 Ca -0.19 0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.31 3dlz s SER 561 Cb 0.03 0.37 -0.00 0.00 0.10 0.00 0.00 66.02 66.52 3dlz s SER 561 CO 0.76 -0.58 -0.11 -0.69 0.98 0.00 0.00 173.24 173.60 3dlz s VAL 562 N -2.91 0.94 0.03 5.02 1.01 -1.26 -1.31 120.40 121.91 3dlz s VAL 562 Ca 0.04 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.57 3dlz s VAL 562 Cb -0.01 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 3dlz s VAL 562 CO -0.08 0.28 -0.06 -1.00 0.00 0.00 0.00 175.10 174.24 3dlz s HIS 563 N -0.04 0.54 -0.32 5.22 3.76 -0.34 -5.00 115.29 119.10 3dlz s HIS 563 Ca 0.00 -0.40 -0.14 0.00 -0.15 0.00 0.00 55.06 54.38 3dlz s HIS 563 Cb -0.07 -0.33 -0.02 0.00 1.11 0.00 0.00 32.58 33.26 3dlz s HIS 563 CO 0.00 -0.08 0.31 0.00 -0.85 0.00 0.00 174.74 174.12 3dlz s VAL 565 N 1.91 3.81 -0.05 0.00 1.01 0.09 -0.91 120.40 126.27 3dlz s VAL 565 Ca 0.10 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 61.08 3dlz s VAL 565 Cb -0.17 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.43 3dlz s VAL 565 CO 0.11 0.16 -0.13 -1.58 0.00 0.00 0.00 175.10 173.66 3dlz s GLN 566 N -2.16 1.49 0.00 2.72 0.74 -0.19 -0.96 119.66 121.30 3dlz s GLN 566 Ca 0.23 -0.43 0.00 0.00 0.05 0.00 0.00 55.36 55.21 3dlz s GLN 566 Cb -0.11 -1.29 0.00 0.00 1.10 0.00 0.00 33.01 32.70 3dlz s GLN 566 CO 0.16 0.12 0.00 0.41 -0.55 0.00 0.00 175.29 175.42 3dlz n GLY 567 N 3.46 1.11 3.78 2.59 0.00 -0.33 -4.18 105.19 111.63 3dlz n GLY 567 Ca -0.20 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 3dlz n GLY 567 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dlz s SER 568 N 0.00 4.24 0.23 1.61 1.04 -1.20 -4.27 113.70 115.35 3dlz s SER 568 Ca 0.00 1.35 -0.30 0.00 0.48 0.00 0.00 55.95 57.48 3dlz s SER 568 Cb 0.00 -2.07 -0.10 0.00 0.10 0.00 0.00 66.02 63.96 3dlz s SER 568 CO 0.00 -2.13 1.39 -0.47 0.98 0.00 0.00 173.24 173.01 3dlz s TYR 569 N -3.10 3.11 0.31 5.02 5.04 -1.26 -4.93 117.35 121.53 3dlz s TYR 569 Ca 0.61 1.09 -0.30 0.00 -2.44 0.00 0.00 57.07 56.04 3dlz s TYR 569 Cb -0.15 -3.74 -0.11 0.00 0.35 0.00 0.00 41.96 38.31 3dlz s TYR 569 CO 0.55 -2.38 1.59 -2.30 -1.34 0.00 0.00 175.55 171.67 3dlz n PRO 570 N 2.47 2.73 -0.28 4.97 -0.02 -1.26 -4.84 135.00 138.78 3dlz n PRO 570 Ca 0.07 0.97 0.11 0.00 -2.02 0.00 0.00 63.50 62.62 3dlz n PRO 570 Cb 0.41 -2.75 0.35 0.00 -0.02 0.00 0.00 33.50 31.49 3dlz n PRO 570 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3dlz h PRO 571 N 4.54 0.73 -0.77 0.52 0.11 -2.00 0.91 132.00 136.05 3dlz h PRO 571 Ca -0.48 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3dlz h PRO 571 Cb 1.22 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 3dlz h PRO 571 CO 0.77 0.48 0.46 -0.07 -0.21 0.00 0.00 178.00 179.43 3dlz h LEU 572 N 0.75 0.92 -0.51 2.35 3.38 -1.94 -0.29 115.31 119.98 3dlz h LEU 572 Ca 0.44 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 58.21 3dlz h LEU 572 Cb 0.64 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3dlz h LEU 572 CO -0.21 0.71 -0.41 -0.07 0.09 0.00 0.00 178.44 178.56 3dlz h LEU 573 N 1.06 0.82 -0.61 1.67 3.38 -1.19 -1.12 115.31 119.32 3dlz h LEU 573 Ca 0.28 -0.37 0.06 0.00 0.09 0.00 0.00 57.88 57.93 3dlz h LEU 573 Cb -0.04 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.43 3dlz h LEU 573 CO -0.05 1.12 0.31 0.25 0.09 0.00 0.00 178.44 180.16 3dlz h LEU 574 N 0.62 0.43 -0.77 1.67 5.85 -0.83 0.03 115.31 122.31 3dlz h LEU 574 Ca 0.05 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 3dlz h LEU 574 Cb 0.96 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 3dlz h LEU 574 CO 0.09 0.28 -0.01 0.50 -0.34 0.00 0.00 178.44 178.96 3dlz h LYS 575 N 0.57 0.92 -0.53 1.25 1.63 -0.87 0.05 116.57 119.60 3dlz h LYS 575 Ca 0.28 -0.27 -0.07 0.00 -0.85 0.00 0.00 60.65 59.74 3dlz h LYS 575 Cb 0.21 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 3dlz h LYS 575 CO -0.20 0.92 0.07 0.00 -3.45 0.00 0.00 179.45 176.79 3dlz h ALA 576 N 1.13 0.70 -0.27 5.00 0.00 -0.97 -0.34 119.26 124.51 3dlz h ALA 576 Ca 0.16 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3dlz h ALA 576 Cb 0.52 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3dlz h ALA 576 CO 0.03 0.45 0.09 2.35 0.00 0.00 0.00 179.25 182.17 3dlz h TRP 577 N 0.76 0.17 -0.55 0.00 7.01 -0.68 -2.12 115.95 120.53 3dlz h TRP 577 Ca 0.16 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.19 3dlz h TRP 577 Cb 0.42 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.41 3dlz h TRP 577 CO 0.03 0.08 0.34 -0.44 -2.79 0.00 0.00 178.44 175.66 3dlz h ASP 578 N 0.22 0.55 -0.51 2.65 3.32 -0.76 -0.66 116.42 121.24 3dlz h ASP 578 Ca 0.12 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.21 3dlz h ASP 578 Cb 0.08 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 3dlz h ASP 578 CO -0.12 0.39 0.27 -0.74 -1.72 0.00 0.00 179.24 177.32 3dlz h HIS 579 N 0.67 0.50 -0.26 4.55 2.76 -0.76 -1.29 115.15 121.32 3dlz h HIS 579 Ca 0.22 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 3dlz h HIS 579 Cb 0.01 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.80 3dlz h HIS 579 CO -0.06 0.26 0.14 -0.92 -1.30 0.00 0.00 177.93 176.05 3dlz h TYR 580 N 0.53 0.36 -0.92 5.26 3.20 -1.08 -2.01 116.97 122.31 3dlz h TYR 580 Ca 0.22 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.11 3dlz h TYR 580 Cb 0.10 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.20 3dlz h TYR 580 CO -0.09 0.31 0.61 -0.97 -1.64 0.00 0.00 178.16 176.38 3dlz h ASN 581 N 0.31 1.00 0.55 -2.11 -1.24 -0.80 0.44 115.58 113.73 3dlz h ASN 581 Ca 0.09 -0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.06 3dlz h ASN 581 Cb 0.07 -0.23 0.01 0.00 0.73 0.00 0.00 38.32 38.89 3dlz h ASN 581 CO -0.01 0.69 -0.26 0.28 -1.29 0.00 0.00 177.43 176.83 3dlz h SER 582 N 1.16 -0.62 0.09 1.15 0.02 -1.01 -1.95 113.55 112.39 3dlz h SER 582 Ca 0.37 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.33 3dlz h SER 582 Cb 0.01 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3dlz h SER 582 CO -0.11 -0.45 -0.04 0.71 -1.14 0.00 0.00 176.83 175.80 3dlz h THR 583 N -0.74 1.10 0.00 -2.27 1.35 -1.04 -3.39 112.91 107.92 3dlz h THR 583 Ca -0.08 -1.35 -0.10 0.00 -0.55 0.00 0.00 66.41 64.34 3dlz h THR 583 Cb 0.56 1.88 -0.02 0.00 -1.73 0.00 0.00 68.15 68.84 3dlz h THR 583 CO 0.12 0.30 -1.87 0.29 -0.25 0.00 0.00 175.52 174.11 3dlz n LYS 584 N -4.85 0.83 0.00 4.72 5.02 0.15 -5.10 118.16 118.93 3dlz n LYS 584 Ca -0.08 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 3dlz n LYS 584 Cb 0.29 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 3dlz n LYS 584 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dlz n GLY 585 N 1.71 -1.54 2.91 0.72 0.00 -0.73 -4.99 105.19 103.26 3dlz n GLY 585 Ca -0.11 -1.48 -0.14 0.00 0.00 0.00 0.00 46.02 44.29 3dlz n GLY 585 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dlz s SER 586 N -2.69 0.35 0.00 1.61 0.15 -1.26 -4.67 113.70 107.18 3dlz s SER 586 Ca 0.00 -0.05 0.29 0.00 0.70 0.00 0.00 55.95 56.89 3dlz s SER 586 Cb 0.00 -0.06 1.21 0.00 -1.71 0.00 0.00 66.02 65.46 3dlz s SER 586 CO 0.00 0.02 1.85 0.00 1.20 0.00 0.00 173.24 176.31 3dlz n ALA 587 N 3.15 2.76 -2.53 5.45 0.00 -1.26 -4.95 120.51 123.14 3dlz n ALA 587 Ca -0.14 -0.26 -0.19 0.00 0.00 0.00 0.00 53.44 52.84 3dlz n ALA 587 Cb 0.58 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 3dlz n ALA 587 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3dlz s ASN 588 N -2.50 6.01 0.27 0.00 0.01 -1.26 -4.99 114.94 112.49 3dlz s ASN 588 Ca 0.28 -0.12 -0.30 0.00 -0.71 0.00 0.00 52.86 52.01 3dlz s ASN 588 Cb 0.20 -1.34 -0.09 0.00 0.41 0.00 0.00 41.25 40.43 3dlz s ASN 588 CO 0.48 -0.40 1.10 -1.81 -1.51 0.00 0.00 177.10 174.96 3dlz s ASP 589 N -4.15 7.28 0.02 -1.22 1.01 -1.26 -4.98 116.67 113.36 3dlz s ASP 589 Ca 0.44 2.25 -0.34 0.00 0.71 0.00 0.00 52.55 55.61 3dlz s ASP 589 Cb -0.09 -2.62 -0.12 0.00 1.01 0.00 0.00 42.92 41.09 3dlz s ASP 589 CO 0.31 -0.14 1.78 -1.14 0.21 0.00 0.00 175.17 176.19 3dlz n ARG 590 N 1.32 2.26 -0.88 8.23 0.63 -1.26 -4.82 116.66 122.13 3dlz n ARG 590 Ca -0.01 0.82 -0.11 0.00 -0.92 0.00 0.00 57.85 57.63 3dlz n ARG 590 Cb 0.45 -2.65 -0.14 0.00 0.45 0.00 0.00 32.46 30.56 3dlz n ARG 590 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3dlz n PRO 591 N 5.54 1.80 -0.15 -0.14 -0.04 -1.26 -4.24 135.00 136.51 3dlz n PRO 591 Ca 0.20 -0.91 0.09 0.00 -0.04 0.00 0.00 63.50 62.84 3dlz n PRO 591 Cb 0.30 -1.96 0.16 0.00 -0.04 0.00 0.00 33.50 31.96 3dlz n PRO 591 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3dlz n ASP 592 N 2.60 2.98 -0.61 3.54 5.68 -1.26 -4.40 116.55 125.08 3dlz n ASP 592 Ca 0.39 -1.87 0.08 0.00 -0.50 0.00 0.00 54.79 52.89 3dlz n ASP 592 Cb 0.78 -0.19 0.05 0.00 -1.14 0.00 0.00 41.12 40.62 3dlz n ASP 592 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 3dlz n PHE 593 N 1.03 0.00 -2.41 2.11 1.16 -1.26 -4.99 117.46 113.09 3dlz n PHE 593 Ca 0.14 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.31 3dlz n PHE 593 Cb 0.48 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.32 3dlz n PHE 593 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 3dlz s PHE 594 N -1.54 3.47 0.49 2.97 0.08 -1.26 -5.04 117.98 117.15 3dlz s PHE 594 Ca 0.18 1.45 -0.02 0.00 0.12 0.00 0.00 56.93 58.66 3dlz s PHE 594 Cb 0.14 -3.39 -0.01 0.00 -0.57 0.00 0.00 43.02 39.19 3dlz s PHE 594 CO 0.26 -1.07 0.75 0.15 -0.10 0.00 0.00 175.22 175.21 3dlz s LYS 595 N -0.08 3.11 0.62 0.44 -0.14 -1.26 -4.44 119.74 117.99 3dlz s LYS 595 Ca 0.53 -0.23 0.30 0.00 -1.36 0.00 0.00 55.97 55.21 3dlz s LYS 595 Cb -0.31 -2.45 1.64 0.00 -1.68 0.00 0.00 37.83 35.03 3dlz s LYS 595 CO 0.35 -0.37 1.99 -0.44 -0.76 0.00 0.00 175.35 176.12 3dlz h ASP 596 N 0.22 0.00 0.07 2.83 3.32 -1.95 -1.13 116.42 119.77 3dlz h ASP 596 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3dlz h ASP 596 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3dlz h ASP 596 CO 0.59 0.00 -0.16 -0.90 -1.72 0.00 0.00 179.24 177.05 3dlz n ASP 597 N -3.42 1.65 -4.75 6.45 5.75 -1.26 -3.15 116.55 117.82 3dlz n ASP 597 Ca 0.02 -1.37 -0.41 0.00 -0.01 0.00 0.00 54.79 53.02 3dlz n ASP 597 Cb 0.44 0.12 -0.02 0.00 -1.03 0.00 0.00 41.12 40.63 3dlz n ASP 597 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 3dlz s GLN 598 N -2.24 4.19 0.07 0.11 2.00 -0.43 -4.74 119.66 118.61 3dlz s GLN 598 Ca 0.29 2.45 -0.09 0.00 -2.00 0.00 0.00 55.36 56.01 3dlz s GLN 598 Cb 0.20 -3.06 -0.06 0.00 0.80 0.00 0.00 33.01 30.90 3dlz s GLN 598 CO 0.43 -0.52 0.37 -0.51 -0.50 0.00 0.00 175.29 174.56 3dlz s LEU 599 N -0.64 4.34 0.02 3.68 1.43 -1.26 -1.18 118.68 125.08 3dlz s LEU 599 Ca 0.60 0.73 0.01 0.00 -1.03 0.00 0.00 54.13 54.44 3dlz s LEU 599 Cb -0.45 -2.96 -0.02 0.00 0.03 0.00 0.00 46.19 42.79 3dlz s LEU 599 CO 0.47 0.17 -0.05 -0.36 0.23 0.00 0.00 176.35 176.81 3dlz s PHE 600 N -1.41 0.47 -0.17 0.29 0.08 -0.13 -1.09 117.98 116.02 3dlz s PHE 600 Ca 0.33 -0.37 -0.12 0.00 0.12 0.00 0.00 56.93 56.89 3dlz s PHE 600 Cb -0.14 -0.29 -0.05 0.00 -0.57 0.00 0.00 43.02 41.97 3dlz s PHE 600 CO 0.18 -0.08 0.22 0.42 -0.10 0.00 0.00 175.22 175.86 3dlz s ILE 601 N -0.99 5.35 -0.26 0.64 -1.09 0.12 -0.73 121.20 124.24 3dlz s ILE 601 Ca -0.08 0.39 -0.00 0.00 -2.23 0.00 0.00 60.65 58.73 3dlz s ILE 601 Cb -0.07 -3.55 0.04 0.00 -1.58 0.00 0.00 42.46 37.29 3dlz s ILE 601 CO -0.00 0.43 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.38 3dlz s VAL 602 N 0.31 2.65 -0.26 2.92 1.01 0.44 -1.06 120.40 126.41 3dlz s VAL 602 Ca 0.13 -1.27 -0.07 0.00 0.00 0.00 0.00 61.98 60.77 3dlz s VAL 602 Cb -0.12 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 3dlz s VAL 602 CO 0.02 0.09 0.05 -0.76 0.00 0.00 0.00 175.10 174.50 3dlz s LEU 603 N 1.24 3.49 -0.32 3.92 1.43 -0.13 -1.20 118.68 127.11 3dlz s LEU 603 Ca -0.03 -0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 52.52 3dlz s LEU 603 Cb -0.18 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 3dlz s LEU 603 CO -0.04 -0.09 0.25 -0.70 0.23 0.00 0.00 176.35 176.00 3dlz s GLU 604 N 1.55 3.63 0.14 1.70 2.12 -0.43 -0.62 118.70 126.78 3dlz s GLU 604 Ca 0.05 -0.51 0.08 0.00 0.36 0.00 0.00 54.97 54.94 3dlz s GLU 604 Cb -0.16 -3.77 -0.04 0.00 0.26 0.00 0.00 34.13 30.42 3dlz s GLU 604 CO 0.02 -0.39 -0.08 -0.06 -0.54 0.00 0.00 175.26 174.21 3dlz s PHE 605 N 1.79 2.74 0.15 5.30 0.08 0.76 -0.30 117.98 128.51 3dlz s PHE 605 Ca 0.07 -0.16 -0.32 0.00 0.12 0.00 0.00 56.93 56.64 3dlz s PHE 605 Cb -0.17 -1.39 -0.17 0.00 -0.57 0.00 0.00 43.02 40.72 3dlz s PHE 605 CO 0.11 0.47 0.86 -1.91 -0.10 0.00 0.00 175.22 174.65 3dlz n GLU 606 N 0.36 0.42 -2.55 0.44 2.13 0.35 -1.17 120.64 120.62 3dlz n GLU 606 Ca -0.12 0.15 -0.43 0.00 0.66 0.00 0.00 57.16 57.42 3dlz n GLU 606 Cb 0.54 -1.43 -0.02 0.00 0.27 0.00 0.00 31.44 30.80 3dlz n GLU 606 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 3dlz s PHE 607 N -0.56 3.09 -2.48 4.31 5.36 -1.25 -4.45 117.98 122.01 3dlz s PHE 607 Ca 0.72 1.23 0.24 0.00 -0.96 0.00 0.00 56.93 58.16 3dlz s PHE 607 Cb -0.97 -3.44 0.17 0.00 -0.34 0.00 0.00 43.02 38.43 3dlz s PHE 607 CO 0.56 -1.05 1.22 0.41 -1.46 0.00 0.00 175.22 174.89 3dlz n GLY 608 N 3.55 0.44 0.00 13.12 0.00 -1.26 -5.01 105.19 116.02 3dlz n GLY 608 Ca 0.13 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3dlz n GLY 608 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dlz n GLY 609 N 1.37 -0.10 3.69 -0.02 0.00 -1.26 -3.86 105.19 105.02 3dlz n GLY 609 Ca 0.12 -1.98 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 3dlz n GLY 609 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dlz s ILE 610 N 0.00 4.65 0.57 -0.61 -1.09 0.22 -4.74 121.20 120.21 3dlz s ILE 610 Ca 0.00 -0.10 -0.20 0.00 -2.23 0.00 0.00 60.65 58.12 3dlz s ILE 610 Cb 0.00 -3.02 -0.04 0.00 -1.58 0.00 0.00 42.46 37.82 3dlz s ILE 610 CO 0.00 0.56 1.23 1.51 -1.23 0.00 0.00 174.94 177.00 3dlz s ASP 611 N -0.45 5.32 0.28 3.58 -4.77 -1.26 -0.11 116.67 119.26 3dlz s ASP 611 Ca 0.09 2.44 0.02 0.00 -3.30 0.00 0.00 52.55 51.80 3dlz s ASP 611 Cb -0.12 -2.61 0.60 0.00 -1.09 0.00 0.00 42.92 39.70 3dlz s ASP 611 CO 0.02 -1.51 1.79 0.25 0.70 0.00 0.00 175.17 176.42 3dlz h LEU 612 N 1.11 0.74 -0.48 2.11 5.85 -0.57 -1.00 115.31 123.08 3dlz h LEU 612 Ca -0.50 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.33 3dlz h LEU 612 Cb 1.29 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 3dlz h LEU 612 CO 0.56 0.33 0.24 -0.08 -0.34 0.00 0.00 178.44 179.15 3dlz h GLU 613 N 0.79 0.47 0.00 1.25 4.81 -1.80 -1.62 114.58 118.48 3dlz h GLU 613 Ca 0.51 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.68 3dlz h GLU 613 Cb 0.67 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 3dlz h GLU 613 CO -0.34 0.31 -0.13 1.96 -0.73 0.00 0.00 179.01 180.08 3dlz h GLN 614 N 0.48 0.00 -0.38 1.92 4.20 -1.71 -2.80 115.11 116.82 3dlz h GLN 614 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3dlz h GLN 614 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3dlz h GLN 614 CO -0.14 0.13 0.00 -1.33 -0.67 0.00 0.00 178.83 176.82 3dlz n MET 615 N -3.40 2.01 0.28 1.46 2.81 -0.44 -4.61 117.12 115.23 3dlz n MET 615 Ca -0.01 -1.55 0.19 0.00 -1.81 0.00 0.00 57.70 54.52 3dlz n MET 615 Cb 0.32 -1.37 0.98 0.00 -0.71 0.00 0.00 33.22 32.44 3dlz n MET 615 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 3dlz h ARG 616 N 2.68 0.00 -0.21 0.03 0.11 -1.05 0.06 114.38 115.99 3dlz h ARG 616 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3dlz h ARG 616 Cb 0.60 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.68 3dlz h ARG 616 CO 0.00 0.00 0.00 0.25 0.10 0.00 0.00 179.97 180.32 3dlz n THR 617 N -2.82 0.79 0.26 0.08 -2.24 -1.26 -1.54 114.28 107.56 3dlz n THR 617 Ca -0.02 -0.90 0.03 0.00 -2.27 0.00 0.00 64.05 60.89 3dlz n THR 617 Cb 0.08 0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 68.93 3dlz n THR 617 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3dlz n LYS 618 N 0.32 4.52 -2.22 -0.78 4.76 0.00 -4.53 118.16 120.22 3dlz n LYS 618 Ca 0.08 -0.11 -0.41 0.00 -2.87 0.00 0.00 58.31 55.00 3dlz n LYS 618 Cb 0.35 -0.80 -0.03 0.00 -1.84 0.00 0.00 35.03 32.71 3dlz n LYS 618 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3dlz s LEU 619 N -2.04 4.45 0.06 -0.35 1.43 -1.19 -4.78 118.68 116.26 3dlz s LEU 619 Ca 0.03 2.50 -0.29 0.00 -1.03 0.00 0.00 54.13 55.34 3dlz s LEU 619 Cb 0.04 -3.63 -0.18 0.00 0.03 0.00 0.00 46.19 42.46 3dlz s LEU 619 CO 0.21 -0.46 1.56 0.28 0.23 0.00 0.00 176.35 178.17 3dlz h SER 620 N 4.22 -0.51 -5.49 2.29 0.02 -1.94 0.80 113.55 112.94 3dlz h SER 620 Ca -0.47 -0.02 -0.23 0.00 -0.84 0.00 0.00 61.79 60.23 3dlz h SER 620 Cb 1.22 0.13 -0.09 0.00 0.14 0.00 0.00 62.40 63.80 3dlz h SER 620 CO 0.70 -0.31 -0.25 -0.94 -1.14 0.00 0.00 176.83 174.89 3dlz s SER 621 N -4.71 0.62 0.43 3.07 1.04 -1.26 -0.90 113.70 111.99 3dlz s SER 621 Ca -0.16 -1.36 0.11 0.00 0.48 0.00 0.00 55.95 55.02 3dlz s SER 621 Cb 0.04 0.60 0.93 0.00 0.10 0.00 0.00 66.02 67.68 3dlz s SER 621 CO 0.61 -1.18 1.99 -0.07 0.98 0.00 0.00 173.24 175.57 3dlz h LEU 622 N 2.22 0.17 -1.47 2.42 -0.00 -1.90 -1.65 115.31 115.10 3dlz h LEU 622 Ca -0.29 -0.02 0.05 0.00 -0.00 0.00 0.00 57.88 57.62 3dlz h LEU 622 Cb 1.24 -0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 41.82 3dlz h LEU 622 CO 0.40 0.27 0.41 0.00 -0.00 0.00 0.00 178.44 179.51 3dlz h ALA 623 N 1.76 1.73 -0.15 1.53 0.00 -1.96 -1.75 119.26 120.42 3dlz h ALA 623 Ca 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3dlz h ALA 623 Cb 0.23 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3dlz h ALA 623 CO 0.01 0.19 -0.02 1.15 0.00 0.00 0.00 179.25 180.58 3dlz h THR 624 N 0.67 1.28 -0.34 0.00 2.02 -1.67 -0.18 112.91 114.69 3dlz h THR 624 Ca 0.26 -0.93 0.07 0.00 0.77 0.00 0.00 66.41 66.58 3dlz h THR 624 Cb 0.17 1.59 -0.08 0.00 -1.74 0.00 0.00 68.15 68.09 3dlz h THR 624 CO -0.07 0.27 -0.38 0.00 0.37 0.00 0.00 175.52 175.71 3dlz h ALA 625 N 0.73 -0.36 -0.35 6.16 0.00 -1.25 -0.51 119.26 123.68 3dlz h ALA 625 Ca 0.04 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.08 3dlz h ALA 625 Cb 0.43 0.78 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 3dlz h ALA 625 CO 0.01 -0.82 -0.02 -0.22 0.00 0.00 0.00 179.25 178.20 3dlz h LYS 626 N -0.33 0.07 -0.57 0.00 3.64 -1.20 -1.36 116.57 116.82 3dlz h LYS 626 Ca 0.14 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.57 3dlz h LYS 626 Cb 0.57 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.32 3dlz h LYS 626 CO -0.52 0.05 0.28 1.03 -2.27 0.00 0.00 179.45 178.02 3dlz h SER 627 N 0.07 0.39 -0.31 4.20 0.87 -0.71 -0.40 113.55 117.66 3dlz h SER 627 Ca 0.17 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 3dlz h SER 627 Cb 0.24 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3dlz h SER 627 CO -0.30 0.26 0.15 0.40 -0.53 0.00 0.00 176.83 176.81 3dlz h ILE 628 N 0.53 1.16 -0.83 2.23 2.04 -0.50 -1.01 117.51 121.12 3dlz h ILE 628 Ca 0.26 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 3dlz h ILE 628 Cb 0.19 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 3dlz h ILE 628 CO -0.19 0.16 0.48 -0.07 0.00 0.00 0.00 178.15 178.54 3dlz h LEU 629 N 0.37 1.01 -0.13 1.44 3.38 -1.00 -0.81 115.31 119.57 3dlz h LEU 629 Ca 0.11 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3dlz h LEU 629 Cb 0.12 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3dlz h LEU 629 CO -0.01 0.79 0.01 -0.74 0.09 0.00 0.00 178.44 178.58 3dlz h HIS 630 N 1.15 0.24 -0.27 1.13 2.76 -0.68 -0.82 115.15 118.66 3dlz h HIS 630 Ca 0.30 -0.04 0.03 0.00 -2.20 0.00 0.00 60.37 58.46 3dlz h HIS 630 Cb -0.02 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 28.85 3dlz h HIS 630 CO 0.01 0.43 0.09 1.96 -1.30 0.00 0.00 177.93 179.12 3dlz h GLN 631 N -0.01 0.21 -0.27 5.26 4.20 -0.98 -0.61 115.11 122.90 3dlz h GLN 631 Ca 0.04 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.75 3dlz h GLN 631 Cb 0.32 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 3dlz h GLN 631 CO 0.00 0.14 0.16 -0.07 -0.67 0.00 0.00 178.83 178.39 3dlz h LEU 632 N 0.22 0.26 -0.44 1.46 3.38 -1.00 -1.22 115.31 117.98 3dlz h LEU 632 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3dlz h LEU 632 Cb 0.09 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3dlz h LEU 632 CO -0.12 0.19 0.20 0.74 0.09 0.00 0.00 178.44 179.54 3dlz h THR 633 N 0.33 1.18 -0.27 0.22 2.02 -0.95 -1.96 112.91 113.48 3dlz h THR 633 Ca 0.11 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 3dlz h THR 633 Cb -0.00 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3dlz h THR 633 CO -0.05 0.20 0.14 0.00 0.37 0.00 0.00 175.52 176.19 3dlz h ALA 634 N 1.05 0.35 -0.03 6.16 0.00 -0.97 -0.20 119.26 125.63 3dlz h ALA 634 Ca 0.15 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3dlz h ALA 634 Cb 0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3dlz h ALA 634 CO -0.02 -0.10 -0.18 0.77 0.00 0.00 0.00 179.25 179.72 3dlz h SER 635 N 0.32 -0.52 -0.84 0.00 0.02 -1.09 -0.21 113.55 111.23 3dlz h SER 635 Ca 0.10 0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.14 3dlz h SER 635 Cb 0.09 0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.81 3dlz h SER 635 CO -0.01 -0.24 0.55 -0.07 -1.14 0.00 0.00 176.83 175.92 3dlz h LEU 636 N -0.27 0.94 -0.63 5.07 3.38 -1.31 -1.95 115.31 120.55 3dlz h LEU 636 Ca 0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3dlz h LEU 636 Cb 0.36 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3dlz h LEU 636 CO -0.19 0.67 0.36 0.00 0.09 0.00 0.00 178.44 179.38 3dlz h ALA 637 N 1.32 0.80 -0.72 1.53 0.00 -0.26 -0.11 119.26 121.82 3dlz h ALA 637 Ca 0.32 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3dlz h ALA 637 Cb -0.09 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3dlz h ALA 637 CO -0.08 0.29 0.36 0.28 0.00 0.00 0.00 179.25 180.10 3dlz h VAL 638 N 0.85 1.23 -0.29 0.00 2.07 -0.74 -0.24 116.25 119.14 3dlz h VAL 638 Ca 0.22 -0.63 -0.16 0.00 0.82 0.00 0.00 66.70 66.95 3dlz h VAL 638 Cb 0.01 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 3dlz h VAL 638 CO -0.04 0.27 -0.46 0.00 0.02 0.00 0.00 177.57 177.35 3dlz h ALA 639 N 1.18 0.64 -0.18 1.67 0.00 -1.06 -0.28 119.26 121.23 3dlz h ALA 639 Ca 0.25 -0.48 0.04 0.00 0.00 0.00 0.00 54.91 54.72 3dlz h ALA 639 Cb 0.10 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3dlz h ALA 639 CO -0.03 0.67 -0.08 0.93 0.00 0.00 0.00 179.25 180.74 3dlz h GLU 640 N 0.60 -0.06 -0.57 0.00 5.08 -0.78 0.15 114.58 119.01 3dlz h GLU 640 Ca 0.03 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 3dlz h GLU 640 Cb 1.03 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 3dlz h GLU 640 CO 0.10 -0.04 0.07 0.00 -1.00 0.00 0.00 179.01 178.14 3dlz h ALA 641 N 1.10 0.77 0.23 3.43 0.00 -0.83 -1.97 119.26 121.99 3dlz h ALA 641 Ca 0.10 -0.26 -0.34 0.00 0.00 0.00 0.00 54.91 54.40 3dlz h ALA 641 Cb 0.21 -0.22 0.03 0.00 0.00 0.00 0.00 17.79 17.81 3dlz h ALA 641 CO -0.22 0.53 -1.56 1.03 0.00 0.00 0.00 179.25 179.03 3dlz h SER 642 N 0.86 0.77 0.00 0.00 0.87 -0.98 -3.42 113.55 111.65 3dlz h SER 642 Ca 0.17 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 59.80 3dlz h SER 642 Cb 0.45 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 3dlz h SER 642 CO 0.02 1.74 0.00 0.18 -0.53 0.00 0.00 176.83 178.23 3dlz n LEU 643 N -3.69 0.44 -3.91 2.23 4.77 0.52 -5.01 117.00 112.35 3dlz n LEU 643 Ca -0.20 -0.45 -0.27 0.00 -0.03 0.00 0.00 56.01 55.07 3dlz n LEU 643 Cb 1.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.18 3dlz n LEU 643 CO 0.57 0.11 -0.09 0.54 -1.33 0.00 0.00 177.39 177.19 3dlz n ARG 644 N -0.02 -4.18 -2.49 3.23 1.74 -0.74 -0.55 116.66 113.65 3dlz n ARG 644 Ca 0.00 0.50 -0.41 0.00 -0.77 0.00 0.00 57.85 57.17 3dlz n ARG 644 Cb 0.13 -4.98 -0.04 0.00 -1.02 0.00 0.00 32.46 26.55 3dlz n ARG 644 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3dlz s PHE 645 N -3.66 3.58 -0.06 -1.55 2.19 -1.14 -4.32 117.98 113.01 3dlz s PHE 645 Ca 0.23 1.61 0.04 0.00 0.33 0.00 0.00 56.93 59.14 3dlz s PHE 645 Cb -0.12 -3.29 0.00 0.00 -1.31 0.00 0.00 43.02 38.30 3dlz s PHE 645 CO 0.86 -0.63 -0.19 -1.21 1.83 0.00 0.00 175.22 175.88 3dlz s GLU 646 N -0.62 2.18 -0.02 10.12 2.02 0.28 -4.42 118.70 128.24 3dlz s GLU 646 Ca 0.48 -0.67 -0.25 0.00 0.02 0.00 0.00 54.97 54.55 3dlz s GLU 646 Cb -0.30 -1.79 -0.20 0.00 0.10 0.00 0.00 34.13 31.94 3dlz s GLU 646 CO 0.36 0.20 1.23 1.25 0.02 0.00 0.00 175.26 178.32 3dlz h HIS 647 N 6.49 0.10 0.00 1.61 -0.00 -1.92 -1.22 115.15 120.21 3dlz h HIS 647 Ca -0.29 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.05 3dlz h HIS 647 Cb 1.19 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.58 3dlz h HIS 647 CO 0.45 0.61 0.00 0.54 -0.00 0.00 0.00 177.93 179.54 3dlz n ARG 648 N -4.75 -0.33 -2.70 5.26 1.74 -1.26 -2.86 116.66 111.76 3dlz n ARG 648 Ca -0.08 0.08 -0.05 0.00 -0.77 0.00 0.00 57.85 57.03 3dlz n ARG 648 Cb 0.31 -3.75 0.11 0.00 -1.02 0.00 0.00 32.46 28.10 3dlz n ARG 648 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3dlz n ASP 649 N -0.17 -1.03 -3.00 0.55 2.03 -1.26 -4.93 116.55 108.74 3dlz n ASP 649 Ca 0.00 -2.35 -0.33 0.00 0.52 0.00 0.00 54.79 52.62 3dlz n ASP 649 Cb 0.08 0.58 -0.04 0.00 -0.72 0.00 0.00 41.12 41.02 3dlz n ASP 649 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 3dlz n LEU 650 N -0.90 7.35 -4.63 -2.67 7.94 -1.26 -4.88 117.00 117.96 3dlz n LEU 650 Ca -0.06 -4.42 -0.30 0.00 -1.11 0.00 0.00 56.01 50.12 3dlz n LEU 650 Cb 0.85 -1.34 0.19 0.00 0.53 0.00 0.00 43.42 43.65 3dlz n LEU 650 CO -0.06 1.92 0.62 -1.38 -1.11 0.00 0.00 177.39 177.39 3dlz s HIS 651 N -0.85 1.76 -1.06 1.96 -3.43 -1.26 -4.83 115.29 107.59 3dlz s HIS 651 Ca 0.58 1.42 0.16 0.00 -0.80 0.00 0.00 55.06 56.42 3dlz s HIS 651 Cb 0.26 -3.19 0.70 0.00 -1.43 0.00 0.00 32.58 28.92 3dlz s HIS 651 CO -0.13 -3.03 1.51 -2.67 -2.00 0.00 0.00 174.74 168.42 3dlz n TRP 652 N -4.35 0.00 0.33 0.38 4.27 -1.26 -0.75 117.44 116.05 3dlz n TRP 652 Ca 0.07 0.00 0.15 0.00 -3.89 0.00 0.00 57.50 53.83 3dlz n TRP 652 Cb 0.54 -0.47 0.63 0.00 -1.36 0.00 0.00 31.31 30.65 3dlz n TRP 652 CO 0.00 0.00 0.00 0.78 -2.29 0.00 0.00 177.69 176.18 3dlz h GLY 653 N 2.75 0.00 -2.09 -1.67 0.00 -1.96 -2.86 103.07 97.24 3dlz h GLY 653 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dlz h GLY 653 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 3dlz n ASN 654 N -2.61 3.64 -4.19 0.19 3.02 0.07 -4.81 115.26 110.57 3dlz n ASN 654 Ca 0.01 -2.12 -0.34 0.00 -0.03 0.00 0.00 54.58 52.09 3dlz n ASN 654 Cb 0.22 -0.40 -0.14 0.00 -0.61 0.00 0.00 39.78 38.85 3dlz n ASN 654 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3dlz s VAL 655 N -1.23 2.86 -0.10 2.41 1.01 -1.24 -1.36 120.40 122.76 3dlz s VAL 655 Ca 0.38 -1.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 3dlz s VAL 655 Cb 0.21 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3dlz s VAL 655 CO 0.23 0.14 0.06 -0.76 0.00 0.00 0.00 175.10 174.77 3dlz s LEU 656 N 1.30 3.91 -0.13 3.92 1.43 0.68 -0.36 118.68 129.43 3dlz s LEU 656 Ca -0.01 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.38 3dlz s LEU 656 Cb -0.17 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 3dlz s LEU 656 CO -0.04 0.39 -0.17 -0.76 0.23 0.00 0.00 176.35 176.00 3dlz s LEU 657 N -0.94 2.46 -0.02 1.79 1.43 0.84 -0.59 118.68 123.66 3dlz s LEU 657 Ca 0.14 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 3dlz s LEU 657 Cb -0.12 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.57 3dlz s LEU 657 CO 0.03 0.15 -0.06 -0.75 0.23 0.00 0.00 176.35 175.95 3dlz s LYS 658 N 0.44 0.64 0.36 1.70 2.20 -0.74 -0.61 119.74 123.73 3dlz s LYS 658 Ca -0.12 -0.19 -0.28 0.00 -0.36 0.00 0.00 55.97 55.01 3dlz s LYS 658 Cb -0.16 -0.64 -0.11 0.00 -1.51 0.00 0.00 37.83 35.41 3dlz s LYS 658 CO 0.06 0.06 1.43 0.15 -0.36 0.00 0.00 175.35 176.69 3dlz s LYS 659 N 0.23 4.19 0.03 4.03 1.02 -1.26 -0.05 119.74 127.93 3dlz s LYS 659 Ca -0.03 2.46 0.03 0.00 0.02 0.00 0.00 55.97 58.45 3dlz s LYS 659 Cb -0.07 -3.00 -0.02 0.00 -0.52 0.00 0.00 37.83 34.22 3dlz s LYS 659 CO -0.00 -0.42 -0.09 -0.08 -0.92 0.00 0.00 175.35 173.84 3dlz s THR 660 N -1.08 0.65 -1.37 2.17 -1.32 0.26 -4.73 115.64 110.21 3dlz s THR 660 Ca 0.52 -0.87 0.28 0.00 -1.21 0.00 0.00 61.69 60.41 3dlz s THR 660 Cb -0.44 -0.64 0.30 0.00 -1.51 0.00 0.00 72.50 70.20 3dlz s THR 660 CO 0.59 -0.18 1.76 -1.54 -2.21 0.00 0.00 174.62 173.04 3dlz n SER 661 N 1.90 0.41 -4.75 8.08 3.41 -1.26 -4.57 113.62 116.85 3dlz n SER 661 Ca -0.19 -0.30 -0.41 0.00 -0.26 0.00 0.00 58.87 57.71 3dlz n SER 661 Cb 0.55 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 3dlz n SER 661 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3dlz s LEU 662 N -2.70 4.42 0.00 1.04 1.43 -1.26 -4.94 118.68 116.67 3dlz s LEU 662 Ca 0.21 2.47 -0.02 0.00 -1.03 0.00 0.00 54.13 55.77 3dlz s LEU 662 Cb 0.19 -3.62 -0.27 0.00 0.03 0.00 0.00 46.19 42.52 3dlz s LEU 662 CO 0.54 -0.52 0.86 0.11 0.23 0.00 0.00 176.35 177.56 3dlz h LYS 663 N 4.88 0.23 -5.25 1.70 1.57 -1.95 -3.41 116.57 114.34 3dlz h LYS 663 Ca -0.46 -0.40 -0.50 0.00 -1.87 0.00 0.00 60.65 57.42 3dlz h LYS 663 Cb 1.22 0.15 -0.30 0.00 0.08 0.00 0.00 32.23 33.38 3dlz h LYS 663 CO 0.74 1.09 -0.82 0.15 -0.57 0.00 0.00 179.45 180.05 3dlz s LYS 664 N -2.62 1.30 -0.03 3.15 1.02 -1.26 -1.49 119.74 119.82 3dlz s LYS 664 Ca -0.09 -0.52 -0.00 0.00 0.02 0.00 0.00 55.97 55.38 3dlz s LYS 664 Cb 0.07 -1.21 -0.04 0.00 -0.52 0.00 0.00 37.83 36.13 3dlz s LYS 664 CO 0.85 0.27 0.04 -0.51 -0.92 0.00 0.00 175.35 175.08 3dlz s LEU 665 N -0.18 3.71 -0.10 3.17 1.43 0.72 -4.86 118.68 122.56 3dlz s LEU 665 Ca 0.02 0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 53.21 3dlz s LEU 665 Cb -0.07 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 3dlz s LEU 665 CO 0.00 0.31 -0.02 -1.00 0.23 0.00 0.00 176.35 175.87 3dlz s HIS 666 N -1.08 3.08 0.07 0.29 3.76 -1.26 -0.43 115.29 119.72 3dlz s HIS 666 Ca 0.19 0.03 -0.01 0.00 -0.15 0.00 0.00 55.06 55.12 3dlz s HIS 666 Cb -0.12 -1.83 -0.04 0.00 1.11 0.00 0.00 32.58 31.70 3dlz s HIS 666 CO 0.09 0.30 -0.02 1.52 -0.85 0.00 0.00 174.74 175.78 3dlz s TYR 667 N -0.49 0.63 -0.10 1.40 -0.85 -0.93 -4.54 117.35 112.48 3dlz s TYR 667 Ca 0.08 -1.07 0.02 0.00 -0.52 0.00 0.00 57.07 55.58 3dlz s TYR 667 Cb -0.12 -0.43 0.01 0.00 0.38 0.00 0.00 41.96 41.81 3dlz s TYR 667 CO 0.02 -0.37 -0.15 0.99 -1.52 0.00 0.00 175.55 174.53 3dlz s THR 668 N -3.89 1.40 -0.24 -3.49 2.01 -0.44 -1.17 115.64 109.81 3dlz s THR 668 Ca 0.10 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.52 3dlz s THR 668 Cb 0.08 -1.28 0.06 0.00 0.01 0.00 0.00 72.50 71.36 3dlz s THR 668 CO -0.07 0.42 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.97 3dlz s LEU 669 N 0.89 2.88 -1.36 4.42 2.96 0.05 -1.44 118.68 127.08 3dlz s LEU 669 Ca -0.09 -1.23 -0.01 0.00 -0.22 0.00 0.00 54.13 52.58 3dlz s LEU 669 Cb -0.15 -1.34 0.01 0.00 0.50 0.00 0.00 46.19 45.21 3dlz s LEU 669 CO 0.00 -0.20 0.60 0.59 -1.32 0.00 0.00 176.35 176.02 3dlz n ASN 670 N 4.58 -0.97 0.00 3.68 3.02 -0.78 -1.35 115.26 123.44 3dlz n ASN 670 Ca -0.13 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 3dlz n ASN 670 Cb 0.44 -3.62 0.00 0.00 -0.61 0.00 0.00 39.78 35.98 3dlz n ASN 670 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dlz n GLY 671 N -1.74 1.46 3.46 7.41 0.00 0.37 -5.01 105.19 111.14 3dlz n GLY 671 Ca -0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 3dlz n GLY 671 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dlz s LYS 672 N -0.01 3.60 0.01 1.61 2.20 -0.45 -5.07 119.74 121.62 3dlz s LYS 672 Ca 0.00 -0.53 -0.18 0.00 -0.36 0.00 0.00 55.97 54.91 3dlz s LYS 672 Cb 0.00 -3.43 -0.06 0.00 -1.51 0.00 0.00 37.83 32.83 3dlz s LYS 672 CO 0.00 -0.25 0.50 -1.12 -0.36 0.00 0.00 175.35 174.12 3dlz s SER 673 N 1.63 6.91 0.27 1.43 0.01 -1.26 -0.77 113.70 121.92 3dlz s SER 673 Ca 0.06 1.08 0.03 0.00 1.31 0.00 0.00 55.95 58.42 3dlz s SER 673 Cb -0.16 -2.31 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 3dlz s SER 673 CO 0.05 0.23 0.18 -0.44 0.41 0.00 0.00 173.24 173.67 3dlz s SER 674 N -0.71 0.98 0.19 2.44 0.01 -0.32 -5.00 113.70 111.29 3dlz s SER 674 Ca 0.27 -1.54 0.03 0.00 1.31 0.00 0.00 55.95 56.01 3dlz s SER 674 Cb -0.18 0.43 -0.05 0.00 0.21 0.00 0.00 66.02 66.44 3dlz s SER 674 CO 0.16 -0.92 -0.01 0.42 0.41 0.00 0.00 173.24 173.29 3dlz s THR 675 N -3.80 0.85 -0.04 1.44 -4.23 -1.26 -2.19 115.64 106.42 3dlz s THR 675 Ca 0.39 -2.01 -0.00 0.00 -1.18 0.00 0.00 61.69 58.89 3dlz s THR 675 Cb 0.05 -2.15 0.03 0.00 1.34 0.00 0.00 72.50 71.77 3dlz s THR 675 CO 0.18 -0.47 0.01 -0.63 -0.54 0.00 0.00 174.62 173.17 3dlz s ILE 676 N -3.54 0.17 0.09 2.99 1.01 0.43 -4.91 121.20 117.43 3dlz s ILE 676 Ca 0.24 0.14 -0.32 0.00 0.00 0.00 0.00 60.65 60.71 3dlz s ILE 676 Cb 0.05 -0.30 -0.11 0.00 0.01 0.00 0.00 42.46 42.11 3dlz s ILE 676 CO 0.05 0.17 1.80 -2.65 0.00 0.00 0.00 174.94 174.31 3dlz n PRO 677 N 4.48 2.57 0.13 2.79 -0.02 -1.26 -0.20 135.00 143.49 3dlz n PRO 677 Ca -0.20 0.93 -0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3dlz n PRO 677 Cb 0.50 -2.80 0.10 0.00 -0.02 0.00 0.00 33.50 31.29 3dlz n PRO 677 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3dlz h SER 678 N 8.24 0.00 -5.08 2.55 4.64 -1.53 -3.45 113.55 118.92 3dlz h SER 678 Ca -0.47 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.51 3dlz h SER 678 Cb 1.24 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.27 3dlz h SER 678 CO 0.94 0.63 -0.50 0.00 -0.87 0.00 0.00 176.83 177.02 3dlz n GLY 680 N -1.11 1.08 3.13 0.00 0.00 -1.26 -4.94 105.19 102.10 3dlz n GLY 680 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 3dlz n GLY 680 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dlz s LEU 681 N 0.00 2.04 -0.26 0.99 1.43 -0.67 -0.57 118.68 121.63 3dlz s LEU 681 Ca 0.00 -0.29 -0.10 0.00 -1.03 0.00 0.00 54.13 52.70 3dlz s LEU 681 Cb 0.00 -0.79 -0.05 0.00 0.03 0.00 0.00 46.19 45.38 3dlz s LEU 681 CO 0.00 0.18 0.16 -1.58 0.23 0.00 0.00 176.35 175.34 3dlz s GLN 682 N -0.43 3.92 -0.04 1.70 2.00 0.93 -4.76 119.66 122.98 3dlz s GLN 682 Ca 0.06 -0.34 -0.19 0.00 -2.00 0.00 0.00 55.36 52.89 3dlz s GLN 682 Cb -0.06 -3.57 -0.05 0.00 0.80 0.00 0.00 33.01 30.13 3dlz s GLN 682 CO -0.00 -0.12 0.54 0.08 -0.50 0.00 0.00 175.29 175.28 3dlz s VAL 683 N 1.57 5.01 -0.11 1.34 1.01 -1.26 -1.80 120.40 126.15 3dlz s VAL 683 Ca 0.07 1.11 0.01 0.00 0.00 0.00 0.00 61.98 63.17 3dlz s VAL 683 Cb -0.15 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 32.38 3dlz s VAL 683 CO 0.08 0.41 -0.13 -0.44 0.00 0.00 0.00 175.10 175.02 3dlz s SER 684 N -0.08 2.36 -0.15 3.32 0.01 0.24 -4.48 113.70 114.93 3dlz s SER 684 Ca 0.29 -0.40 -0.23 0.00 1.31 0.00 0.00 55.95 56.92 3dlz s SER 684 Cb -0.17 -1.03 -0.03 0.00 0.21 0.00 0.00 66.02 65.00 3dlz s SER 684 CO 0.15 -0.02 0.70 -0.63 0.41 0.00 0.00 173.24 173.84 3dlz s ILE 685 N 1.19 5.00 0.46 1.44 1.01 0.54 -0.23 121.20 130.61 3dlz s ILE 685 Ca -0.03 1.38 0.04 0.00 0.00 0.00 0.00 60.65 62.04 3dlz s ILE 685 Cb -0.14 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 3dlz s ILE 685 CO -0.04 0.14 0.01 0.27 0.00 0.00 0.00 174.94 175.32 3dlz s ILE 686 N 1.57 1.58 -0.10 2.92 -4.36 -0.46 -3.55 121.20 118.80 3dlz s ILE 686 Ca 0.34 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.72 3dlz s ILE 686 Cb -0.17 -2.59 0.00 0.00 1.25 0.00 0.00 42.46 40.95 3dlz s ILE 686 CO 0.13 0.00 0.01 -0.67 0.24 0.00 0.00 174.94 174.65 3dlz n ASP 687 N -1.11 -3.74 -1.72 4.36 2.03 -1.26 -4.84 116.55 110.27 3dlz n ASP 687 Ca -0.12 0.48 -0.13 0.00 0.52 0.00 0.00 54.79 55.54 3dlz n ASP 687 Cb 0.67 -2.46 0.20 0.00 -0.72 0.00 0.00 41.12 38.81 3dlz n ASP 687 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 3dlz n TYR 688 N 0.27 2.11 -0.18 -0.67 4.01 -1.26 -4.61 117.16 116.83 3dlz n TYR 688 Ca -0.02 -1.67 0.07 0.00 -0.16 0.00 0.00 57.90 56.13 3dlz n TYR 688 Cb 0.02 -0.71 0.36 0.00 -0.31 0.00 0.00 39.34 38.70 3dlz n TYR 688 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3dlz h THR 689 N 1.16 1.00 -0.16 -0.72 2.02 -1.91 -2.52 112.91 111.78 3dlz h THR 689 Ca 0.41 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.34 3dlz h THR 689 Cb 2.27 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 3dlz h THR 689 CO 0.74 0.13 0.00 0.18 0.37 0.00 0.00 175.52 176.95 3dlz n LEU 690 N -4.48 2.38 -4.69 2.58 4.77 -1.26 -4.72 117.00 111.58 3dlz n LEU 690 Ca 0.11 -1.40 -0.30 0.00 -0.03 0.00 0.00 56.01 54.39 3dlz n LEU 690 Cb 0.25 -0.10 0.15 0.00 -2.33 0.00 0.00 43.42 41.40 3dlz n LEU 690 CO 0.33 0.52 0.65 -0.44 -1.33 0.00 0.00 177.39 177.13 3dlz s SER 691 N -0.99 3.11 -0.06 -1.43 0.01 -0.95 -4.50 113.70 108.89 3dlz s SER 691 Ca 0.18 1.49 -0.05 0.00 1.31 0.00 0.00 55.95 58.88 3dlz s SER 691 Cb 0.11 -2.16 0.02 0.00 0.21 0.00 0.00 66.02 64.20 3dlz s SER 691 CO 0.16 -2.87 0.15 -0.60 0.41 0.00 0.00 173.24 170.49 3dlz s ARG 692 N -4.88 0.16 0.28 12.44 3.00 -0.46 -3.63 118.95 125.85 3dlz s ARG 692 Ca 0.64 0.24 -0.18 0.00 -1.00 0.00 0.00 55.73 55.43 3dlz s ARG 692 Cb -0.19 0.03 0.01 0.00 0.00 0.00 0.00 34.95 34.80 3dlz s ARG 692 CO 0.58 -0.05 0.65 -0.48 0.00 0.00 0.00 175.30 176.00 3dlz s LEU 693 N 0.32 -0.07 -0.07 -0.88 0.05 -0.56 -0.55 118.68 116.92 3dlz s LEU 693 Ca -0.02 -0.74 0.04 0.00 0.05 0.00 0.00 54.13 53.46 3dlz s LEU 693 Cb -0.03 2.45 -0.02 0.00 -2.05 0.00 0.00 46.19 46.54 3dlz s LEU 693 CO -0.01 -1.31 -0.18 -1.61 -0.55 0.00 0.00 176.35 172.70 3dlz s GLU 694 N -3.87 2.67 -0.09 1.48 2.02 0.28 -0.58 118.70 120.61 3dlz s GLU 694 Ca 0.15 -0.76 -0.03 0.00 0.02 0.00 0.00 54.97 54.34 3dlz s GLU 694 Cb -0.04 -2.35 0.04 0.00 0.10 0.00 0.00 34.13 31.88 3dlz s GLU 694 CO 0.08 0.48 0.08 0.50 0.02 0.00 0.00 175.26 176.42 3dlz s ARG 695 N -0.36 -0.02 -1.42 1.61 3.52 -0.07 -4.73 118.95 117.48 3dlz s ARG 695 Ca 0.03 0.24 -0.10 0.00 -0.13 0.00 0.00 55.73 55.78 3dlz s ARG 695 Cb -0.12 -0.94 0.04 0.00 -1.56 0.00 0.00 34.95 32.37 3dlz s ARG 695 CO 0.02 -0.45 1.05 -0.25 -0.81 0.00 0.00 175.30 174.86 3dlz n ASP 696 N 5.30 -4.95 0.00 -2.12 8.00 -1.26 -1.29 116.55 120.23 3dlz n ASP 696 Ca -0.04 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.78 3dlz n ASP 696 Cb 0.50 -4.46 0.00 0.00 -0.02 0.00 0.00 41.12 37.13 3dlz n ASP 696 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dlz n GLY 697 N -1.78 0.68 3.52 0.44 0.00 -1.26 -5.00 105.19 101.79 3dlz n GLY 697 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3dlz n GLY 697 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dlz s ILE 698 N -2.91 3.83 -0.21 -0.61 -1.09 -0.41 -5.08 121.20 114.72 3dlz s ILE 698 Ca 0.00 -0.39 -0.21 0.00 -2.23 0.00 0.00 60.65 57.82 3dlz s ILE 698 Cb 0.00 -2.65 -0.02 0.00 -1.58 0.00 0.00 42.46 38.21 3dlz s ILE 698 CO 0.00 0.52 0.64 -0.69 -1.23 0.00 0.00 174.94 174.18 3dlz s VAL 699 N 0.04 5.01 -0.21 2.92 1.01 -1.26 -0.89 120.40 127.01 3dlz s VAL 699 Ca -0.00 1.20 -0.04 0.00 0.00 0.00 0.00 61.98 63.13 3dlz s VAL 699 Cb -0.13 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 3dlz s VAL 699 CO 0.03 0.09 -0.02 -0.69 0.00 0.00 0.00 175.10 174.51 3dlz s VAL 700 N 2.03 3.61 0.09 2.92 1.01 0.25 -5.00 120.40 125.32 3dlz s VAL 700 Ca 0.29 -0.42 -0.26 0.00 0.00 0.00 0.00 61.98 61.59 3dlz s VAL 700 Cb -0.16 -2.64 0.08 0.00 0.00 0.00 0.00 36.38 33.66 3dlz s VAL 700 CO 0.10 0.42 0.89 0.72 0.00 0.00 0.00 175.10 177.23 3dlz s PHE 701 N 1.31 -0.26 -0.40 5.22 -0.12 -1.26 -1.49 117.98 120.98 3dlz s PHE 701 Ca 0.04 0.02 -0.18 0.00 -0.05 0.00 0.00 56.93 56.76 3dlz s PHE 701 Cb -0.14 0.59 0.01 0.00 -0.63 0.00 0.00 43.02 42.85 3dlz s PHE 701 CO -0.01 -0.73 0.50 0.00 -0.05 0.00 0.00 175.22 174.94 3dlz s ASP 703 N 1.84 6.61 -0.19 0.00 2.15 -1.26 -4.83 116.67 120.99 3dlz s ASP 703 Ca 0.16 0.39 0.16 0.00 0.43 0.00 0.00 52.55 53.69 3dlz s ASP 703 Cb -0.16 -2.51 0.55 0.00 -0.30 0.00 0.00 42.92 40.51 3dlz s ASP 703 CO 0.15 -1.13 1.45 1.33 -0.17 0.00 0.00 175.17 176.80 3dlz n VAL 704 N 6.57 2.34 0.29 1.11 0.24 -1.26 -4.68 118.33 122.94 3dlz n VAL 704 Ca 0.10 -1.87 0.15 0.00 -2.04 0.00 0.00 64.34 60.68 3dlz n VAL 704 Cb 0.49 -0.26 0.88 0.00 -1.47 0.00 0.00 33.84 33.47 3dlz n VAL 704 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3dlz h SER 705 N 1.94 0.00 -0.10 -1.34 4.64 -1.88 -2.25 113.55 114.56 3dlz h SER 705 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3dlz h SER 705 Cb 1.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 3dlz h SER 705 CO 0.25 0.04 0.00 0.23 -0.87 0.00 0.00 176.83 176.48 3dlz n MET 706 N -3.69 1.33 -2.36 4.77 2.81 -1.26 -4.96 117.12 113.76 3dlz n MET 706 Ca -0.03 -1.51 -0.42 0.00 -1.81 0.00 0.00 57.70 53.93 3dlz n MET 706 Cb 0.14 -1.28 -0.03 0.00 -0.71 0.00 0.00 33.22 31.34 3dlz n MET 706 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3dlz s ASP 707 N -1.14 7.00 -0.25 7.83 -1.08 -0.85 -4.91 116.67 123.28 3dlz s ASP 707 Ca 0.19 2.04 -0.14 0.00 -0.52 0.00 0.00 52.55 54.12 3dlz s ASP 707 Cb 0.12 -2.57 -0.15 0.00 -1.46 0.00 0.00 42.92 38.86 3dlz s ASP 707 CO 0.18 -0.55 -0.15 -1.84 0.52 0.00 0.00 175.17 173.33 3dlz n GLU 708 N 4.36 0.60 -0.03 4.34 0.28 -1.26 -4.59 120.64 124.34 3dlz n GLU 708 Ca 0.10 0.34 0.09 0.00 -0.16 0.00 0.00 57.16 57.53 3dlz n GLU 708 Cb 0.45 -1.58 0.48 0.00 1.43 0.00 0.00 31.44 32.22 3dlz n GLU 708 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3dlz h ASP 709 N -0.86 0.39 -0.44 -1.84 3.32 -1.98 -1.58 116.42 113.43 3dlz h ASP 709 Ca -0.58 -0.00 0.13 0.00 0.02 0.00 0.00 57.03 56.60 3dlz h ASP 709 Cb 1.57 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 41.02 3dlz h ASP 709 CO -0.31 0.26 0.32 0.25 -1.72 0.00 0.00 179.24 178.04 3dlz h LEU 710 N 0.45 0.00 -2.42 1.55 5.85 -1.98 -2.26 115.31 116.50 3dlz h LEU 710 Ca 0.21 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3dlz h LEU 710 Cb 0.27 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3dlz h LEU 710 CO -0.06 0.00 0.00 0.49 -0.34 0.00 0.00 178.44 178.54 3dlz n PHE 711 N -4.41 0.56 -0.90 1.25 3.72 -0.59 -4.39 117.46 112.70 3dlz n PHE 711 Ca 0.08 -0.31 0.07 0.00 -0.05 0.00 0.00 57.45 57.23 3dlz n PHE 711 Cb 0.52 -0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.15 3dlz n PHE 711 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3dlz n THR 712 N 1.36 1.47 -1.34 4.37 -2.24 -0.85 -4.77 114.28 112.28 3dlz n THR 712 Ca 0.19 -1.72 -0.32 0.00 -2.27 0.00 0.00 64.05 59.93 3dlz n THR 712 Cb 0.57 0.03 0.09 0.00 -2.10 0.00 0.00 70.33 68.92 3dlz n THR 712 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3dlz s GLY 713 N -2.20 1.90 0.34 3.38 0.00 -1.25 -5.08 107.32 104.41 3dlz s GLY 713 Ca 0.21 0.47 -0.04 0.00 0.00 0.00 0.00 44.72 45.35 3dlz s GLY 713 CO 0.02 0.83 0.51 0.51 0.00 0.00 0.00 173.10 174.97 3dlz s ASP 714 N -2.89 0.76 0.00 1.64 1.47 -1.26 -4.78 116.67 111.61 3dlz s ASP 714 Ca 0.65 -1.42 0.00 0.00 1.18 0.00 0.00 52.55 52.96 3dlz s ASP 714 Cb -0.20 0.68 0.00 0.00 -0.34 0.00 0.00 42.92 43.06 3dlz s ASP 714 CO 0.51 -1.33 0.00 0.61 0.68 0.00 0.00 175.17 175.64 3dlz n GLY 715 N -0.55 0.70 3.55 2.12 0.00 -1.26 -4.95 105.19 104.80 3dlz n GLY 715 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3dlz n GLY 715 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dlz s ASP 716 N -2.69 -0.67 0.56 1.61 -1.08 -1.26 -5.02 116.67 108.13 3dlz s ASP 716 Ca 0.00 1.04 0.26 0.00 -0.52 0.00 0.00 52.55 53.33 3dlz s ASP 716 Cb 0.00 0.98 1.50 0.00 -1.46 0.00 0.00 42.92 43.94 3dlz s ASP 716 CO 0.00 -0.41 2.05 0.22 0.52 0.00 0.00 175.17 177.55 3dlz h TYR 717 N 4.12 0.00 -0.88 -5.34 3.20 -1.99 -1.51 116.97 114.57 3dlz h TYR 717 Ca -0.28 0.00 0.23 0.00 3.14 0.00 0.00 58.73 61.82 3dlz h TYR 717 Cb 1.15 0.00 -0.15 0.00 1.54 0.00 0.00 36.73 39.27 3dlz h TYR 717 CO 0.39 0.00 0.13 0.37 -1.64 0.00 0.00 178.16 177.42 3dlz h GLN 718 N 0.00 0.12 0.00 1.82 4.15 -1.95 -0.77 115.11 118.48 3dlz h GLN 718 Ca 0.15 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.50 3dlz h GLN 718 Cb 0.68 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 3dlz h GLN 718 CO -0.00 0.08 -0.31 0.74 -1.93 0.00 0.00 178.83 177.41 3dlz h PHE 719 N 0.12 0.00 -0.30 3.99 0.04 -1.61 -2.10 116.94 117.09 3dlz h PHE 719 Ca 0.54 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 61.22 3dlz h PHE 719 Cb 1.09 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.22 3dlz h PHE 719 CO -0.36 0.31 -0.19 -0.44 -0.60 0.00 0.00 178.31 177.03 3dlz h ASP 720 N 0.00 0.53 -0.72 2.17 3.32 -1.25 -3.25 116.42 117.22 3dlz h ASP 720 Ca -0.00 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 3dlz h ASP 720 Cb 0.94 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 3dlz h ASP 720 CO 0.04 0.73 0.35 0.40 -1.72 0.00 0.00 179.24 179.04 3dlz h ILE 721 N 0.48 1.23 -0.63 0.35 1.08 -1.02 0.20 117.51 119.21 3dlz h ILE 721 Ca 0.08 -0.66 0.06 0.00 -0.39 0.00 0.00 64.86 63.96 3dlz h ILE 721 Cb 0.60 0.34 -0.06 0.00 -3.07 0.00 0.00 36.82 34.64 3dlz h ILE 721 CO 0.04 0.27 0.33 1.88 -0.69 0.00 0.00 178.15 179.99 3dlz h TYR 722 N 1.00 0.60 -0.46 1.37 0.05 -1.59 0.55 116.97 118.50 3dlz h TYR 722 Ca 0.25 0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.97 3dlz h TYR 722 Cb 0.12 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 3dlz h TYR 722 CO 0.01 0.27 -0.01 0.00 -1.05 0.00 0.00 178.16 177.38 3dlz h ARG 723 N 0.61 0.81 -0.80 4.88 3.08 -1.43 -2.19 114.38 119.34 3dlz h ARG 723 Ca 0.29 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3dlz h ARG 723 Cb 0.21 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 3dlz h ARG 723 CO -0.20 0.88 0.41 -0.07 -1.07 0.00 0.00 179.97 179.92 3dlz h LEU 724 N 0.66 1.02 -0.57 3.04 3.38 -0.28 -1.04 115.31 121.52 3dlz h LEU 724 Ca 0.13 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3dlz h LEU 724 Cb 0.52 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3dlz h LEU 724 CO 0.03 0.85 0.36 0.24 0.09 0.00 0.00 178.44 180.00 3dlz h MET 725 N 1.12 0.77 -0.71 1.13 2.86 -0.87 -1.19 114.93 118.04 3dlz h MET 725 Ca 0.28 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 3dlz h MET 725 Cb 0.08 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 3dlz h MET 725 CO -0.04 0.54 0.41 -0.22 1.06 0.00 0.00 176.91 178.66 3dlz h LYS 726 N 0.77 0.97 -0.20 1.72 3.64 -1.00 -1.27 116.57 121.19 3dlz h LYS 726 Ca 0.21 -0.10 0.04 0.00 -1.27 0.00 0.00 60.65 59.52 3dlz h LYS 726 Cb -0.04 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.54 3dlz h LYS 726 CO -0.04 0.71 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.60 3dlz h LYS 727 N 0.97 0.04 -0.72 1.90 3.64 -1.07 0.10 116.57 121.44 3dlz h LYS 727 Ca 0.25 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 3dlz h LYS 727 Cb -0.00 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 3dlz h LYS 727 CO -0.04 0.03 0.40 1.49 -2.27 0.00 0.00 179.45 179.05 3dlz h GLU 728 N 0.04 0.98 -0.21 1.90 4.57 -0.47 -3.12 114.58 118.28 3dlz h GLU 728 Ca 0.10 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3dlz h GLU 728 Cb 0.13 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 3dlz h GLU 728 CO -0.18 0.71 0.00 0.27 -1.18 0.00 0.00 179.01 178.63 3dlz n ASN 729 N -4.37 2.78 -3.24 1.04 0.23 -0.55 -4.97 115.26 106.18 3dlz n ASN 729 Ca 0.07 -1.81 -0.23 0.00 -0.53 0.00 0.00 54.58 52.07 3dlz n ASN 729 Cb 0.09 -0.13 0.02 0.00 -2.08 0.00 0.00 39.78 37.68 3dlz n ASN 729 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3dlz n ASN 730 N 0.99 -5.20 -1.54 0.53 5.15 -0.01 -1.49 115.26 113.69 3dlz n ASN 730 Ca 0.13 -0.38 -0.19 0.00 -0.60 0.00 0.00 54.58 53.54 3dlz n ASN 730 Cb 0.46 -4.21 -0.07 0.00 -0.53 0.00 0.00 39.78 35.42 3dlz n ASN 730 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3dlz n ASN 731 N -2.50 -5.30 -4.18 1.20 5.15 -1.00 -4.96 115.26 103.67 3dlz n ASN 731 Ca -0.06 0.41 -0.40 0.00 -0.60 0.00 0.00 54.58 53.93 3dlz n ASN 731 Cb 0.58 -4.45 -0.07 0.00 -0.53 0.00 0.00 39.78 35.31 3dlz n ASN 731 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3dlz s ARG 732 N -3.77 2.89 0.01 1.20 0.52 -0.56 -4.71 118.95 114.54 3dlz s ARG 732 Ca 0.00 -2.44 0.28 0.00 -0.52 0.00 0.00 55.73 53.04 3dlz s ARG 732 Cb 0.00 -3.97 1.17 0.00 0.52 0.00 0.00 34.95 32.67 3dlz s ARG 732 CO 0.00 -1.21 1.88 0.91 0.02 0.00 0.00 175.30 176.90 3dlz n TRP 733 N 3.77 0.03 0.13 -0.53 7.02 -1.26 -3.11 117.44 123.48 3dlz n TRP 733 Ca 0.08 0.01 0.06 0.00 -1.02 0.00 0.00 57.50 56.63 3dlz n TRP 733 Cb 0.41 -0.51 0.03 0.00 -2.42 0.00 0.00 31.31 28.82 3dlz n TRP 733 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 3dlz h GLY 734 N 4.75 0.00 -1.27 6.99 0.00 -1.94 -3.47 103.07 108.13 3dlz h GLY 734 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 3dlz h GLY 734 CO 0.00 0.00 0.26 -0.54 0.00 0.00 0.00 176.54 176.26 3dlz s GLU 735 N -3.09 1.45 -0.36 4.80 2.02 -1.18 -5.00 118.70 117.34 3dlz s GLU 735 Ca 0.02 1.33 -0.13 0.00 0.02 0.00 0.00 54.97 56.21 3dlz s GLU 735 Cb 0.08 -1.79 -0.00 0.00 0.10 0.00 0.00 34.13 32.51 3dlz s GLU 735 CO 0.75 -2.26 0.25 -0.47 0.02 0.00 0.00 175.26 173.56 3dlz s TYR 736 N -2.76 3.23 -0.58 1.61 5.04 -1.26 -5.00 117.35 117.62 3dlz s TYR 736 Ca 0.64 -0.41 0.04 0.00 -2.44 0.00 0.00 57.07 54.91 3dlz s TYR 736 Cb -0.20 -2.51 0.16 0.00 0.35 0.00 0.00 41.96 39.77 3dlz s TYR 736 CO 0.57 -0.46 0.41 -1.01 -1.34 0.00 0.00 175.55 173.72 3dlz s HIS 737 N 1.69 2.65 -1.10 4.97 3.76 -1.26 -4.98 115.29 121.01 3dlz s HIS 737 Ca 0.05 -2.93 0.10 0.00 -0.15 0.00 0.00 55.06 52.13 3dlz s HIS 737 Cb -0.18 -2.10 0.43 0.00 1.11 0.00 0.00 32.58 31.85 3dlz s HIS 737 CO 0.10 -0.66 1.28 -0.35 -0.85 0.00 0.00 174.74 174.26 3dlz n PRO 738 N 2.45 0.03 -0.01 8.40 -0.04 -1.26 -1.82 135.00 142.76 3dlz n PRO 738 Ca 0.21 0.30 0.22 0.00 -0.04 0.00 0.00 63.50 64.19 3dlz n PRO 738 Cb 0.39 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.06 3dlz n PRO 738 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3dlz h TYR 739 N 0.00 0.00 -0.66 0.54 3.20 -1.88 -1.50 116.97 116.67 3dlz h TYR 739 Ca 0.00 0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.97 3dlz h TYR 739 Cb 0.15 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 3dlz h TYR 739 CO 0.00 0.00 0.44 0.66 -1.64 0.00 0.00 178.16 177.62 3dlz h SER 740 N 0.00 0.45 -0.45 -2.11 4.64 -1.70 -0.54 113.55 113.84 3dlz h SER 740 Ca 0.28 0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.50 3dlz h SER 740 Cb 1.19 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 3dlz h SER 740 CO -0.00 0.27 -0.10 0.78 -0.87 0.00 0.00 176.83 176.90 3dlz h ASN 741 N 0.50 0.91 -0.77 4.97 2.35 -1.50 -1.79 115.58 120.25 3dlz h ASN 741 Ca 0.31 -0.29 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 3dlz h ASN 741 Cb 0.53 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.62 3dlz h ASN 741 CO -0.10 1.03 0.37 0.58 -1.65 0.00 0.00 177.43 177.67 3dlz h VAL 742 N 0.83 1.24 -0.22 2.81 2.07 -1.30 -1.48 116.25 120.20 3dlz h VAL 742 Ca 0.13 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3dlz h VAL 742 Cb 0.63 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3dlz h VAL 742 CO 0.04 0.29 0.14 -0.07 0.02 0.00 0.00 177.57 177.99 3dlz h LEU 743 N 1.08 0.26 -0.74 2.57 3.38 -0.84 -0.43 115.31 120.59 3dlz h LEU 743 Ca 0.26 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3dlz h LEU 743 Cb 0.11 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3dlz h LEU 743 CO -0.03 0.21 0.37 -0.50 0.09 0.00 0.00 178.44 178.58 3dlz h TRP 744 N 0.28 1.04 -0.74 1.13 4.06 -1.19 -1.42 115.95 119.11 3dlz h TRP 744 Ca 0.08 -0.04 -0.01 0.00 2.06 0.00 0.00 58.89 60.98 3dlz h TRP 744 Cb -0.00 -0.33 -0.04 0.00 -1.00 0.00 0.00 29.16 27.80 3dlz h TRP 744 CO -0.05 0.76 0.42 -0.07 -3.56 0.00 0.00 178.44 175.94 3dlz h LEU 745 N 1.03 0.90 -0.14 -4.49 3.38 -1.01 0.05 115.31 115.02 3dlz h LEU 745 Ca 0.26 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3dlz h LEU 745 Cb 0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3dlz h LEU 745 CO -0.04 0.71 0.05 -0.74 0.09 0.00 0.00 178.44 178.52 3dlz h HIS 746 N 1.03 0.22 -0.85 1.13 2.76 -0.78 -0.36 115.15 118.29 3dlz h HIS 746 Ca 0.26 -0.02 0.11 0.00 -2.20 0.00 0.00 60.37 58.52 3dlz h HIS 746 Cb -0.01 -0.06 -0.08 0.00 1.55 0.00 0.00 27.41 28.81 3dlz h HIS 746 CO 0.01 0.31 0.48 -0.92 -1.30 0.00 0.00 177.93 176.51 3dlz h TYR 747 N 0.07 0.87 -0.34 5.26 3.20 -0.85 -0.73 116.97 124.45 3dlz h TYR 747 Ca 0.05 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.82 3dlz h TYR 747 Cb 0.19 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 3dlz h TYR 747 CO -0.01 0.33 -0.31 -0.07 -1.64 0.00 0.00 178.16 176.47 3dlz h LEU 748 N 0.79 0.85 -0.65 2.82 3.38 -0.74 -2.34 115.31 119.41 3dlz h LEU 748 Ca 0.42 -0.46 0.05 0.00 0.09 0.00 0.00 57.88 57.98 3dlz h LEU 748 Cb 0.42 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 3dlz h LEU 748 CO -0.27 1.14 0.37 0.74 0.09 0.00 0.00 178.44 180.51 3dlz h THR 749 N 0.58 1.00 -0.63 0.22 2.02 -0.84 -1.73 112.91 113.53 3dlz h THR 749 Ca 0.06 -0.24 0.02 0.00 0.77 0.00 0.00 66.41 67.01 3dlz h THR 749 Cb 0.88 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 3dlz h THR 749 CO 0.08 0.13 0.40 -0.78 0.37 0.00 0.00 175.52 175.72 3dlz h ASP 750 N 0.71 0.67 -0.63 4.18 3.58 -0.96 -1.43 116.42 122.54 3dlz h ASP 750 Ca 0.28 -0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.74 3dlz h ASP 750 Cb 0.13 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 3dlz h ASP 750 CO -0.16 0.47 0.41 0.11 -2.88 0.00 0.00 179.24 177.20 3dlz h LYS 751 N 0.80 0.82 -0.81 0.28 1.79 -1.12 -0.11 116.57 118.21 3dlz h LYS 751 Ca 0.24 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.66 3dlz h LYS 751 Cb -0.02 -0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 30.40 3dlz h LYS 751 CO -0.08 0.54 0.48 0.52 -1.08 0.00 0.00 179.45 179.83 3dlz h MET 752 N 0.84 1.11 0.00 3.15 2.86 -0.90 0.12 114.93 122.11 3dlz h MET 752 Ca 0.23 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.70 3dlz h MET 752 Cb -0.08 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.34 3dlz h MET 752 CO -0.06 0.79 -0.32 -0.07 1.06 0.00 0.00 176.91 178.31 3dlz h LEU 753 N 1.12 0.00 0.00 1.22 3.38 -0.94 -3.38 115.31 116.71 3dlz h LEU 753 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3dlz h LEU 753 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3dlz h LEU 753 CO -0.05 0.32 -0.92 0.29 0.09 0.00 0.00 178.44 178.16 3dlz n LYS 754 N -3.26 0.75 -0.20 1.13 5.02 -0.08 -4.81 118.16 116.71 3dlz n LYS 754 Ca 0.02 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.34 3dlz n LYS 754 Cb 0.60 -0.96 0.05 0.00 -0.02 0.00 0.00 35.03 34.69 3dlz n LYS 754 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3dlz n GLN 755 N -1.43 0.90 -4.37 1.97 6.02 0.38 -5.04 117.38 115.81 3dlz n GLN 755 Ca 0.00 -1.53 -0.21 0.00 -0.01 0.00 0.00 57.00 55.26 3dlz n GLN 755 Cb 0.04 -0.91 -0.13 0.00 1.02 0.00 0.00 30.24 30.26 3dlz n GLN 755 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3dlz s MET 756 N -1.12 0.99 -0.01 -1.09 -1.94 -1.20 -4.83 119.30 110.10 3dlz s MET 756 Ca 0.11 -0.81 0.04 0.00 -1.71 0.00 0.00 55.69 53.32 3dlz s MET 756 Cb 0.09 -1.02 -0.01 0.00 2.01 0.00 0.00 34.83 35.90 3dlz s MET 756 CO 0.01 0.25 -0.14 0.95 -0.01 0.00 0.00 175.02 176.08 3dlz s THR 757 N -0.89 1.14 0.06 2.05 -4.23 -0.59 -4.95 115.64 108.24 3dlz s THR 757 Ca 0.02 -0.64 0.03 0.00 -1.18 0.00 0.00 61.69 59.92 3dlz s THR 757 Cb -0.08 -0.96 -0.04 0.00 1.34 0.00 0.00 72.50 72.76 3dlz s THR 757 CO 0.01 0.31 0.07 -0.36 -0.54 0.00 0.00 174.62 174.11 3dlz s PHE 758 N -0.37 3.17 0.27 3.99 0.08 -1.26 -4.02 117.98 119.85 3dlz s PHE 758 Ca 0.05 0.08 -0.01 0.00 0.12 0.00 0.00 56.93 57.18 3dlz s PHE 758 Cb -0.06 -1.63 0.37 0.00 -0.57 0.00 0.00 43.02 41.13 3dlz s PHE 758 CO -0.00 0.52 1.75 0.87 -0.10 0.00 0.00 175.22 178.26 3dlz h LYS 759 N 3.49 0.69 -0.64 0.44 1.57 -0.59 -1.46 116.57 120.07 3dlz h LYS 759 Ca -0.47 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.10 3dlz h LYS 759 Cb 1.17 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3dlz h LYS 759 CO 0.64 0.76 0.00 0.25 -0.57 0.00 0.00 179.45 180.53 3dlz n THR 760 N -4.19 1.40 0.00 -0.16 -2.24 -0.08 -5.04 114.28 103.97 3dlz n THR 760 Ca 0.02 -0.99 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 3dlz n THR 760 Cb 0.33 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 3dlz n THR 760 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3dlz n LYS 761 N 1.10 0.00 -2.81 -0.78 5.02 -0.55 -4.21 118.16 115.93 3dlz n LYS 761 Ca 0.23 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.44 3dlz n LYS 761 Cb 0.73 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.75 3dlz n LYS 761 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dlz n ASN 763 N 2.48 1.21 -4.36 0.00 4.13 -1.26 -4.69 115.26 112.78 3dlz n ASN 763 Ca 0.16 -1.26 -0.19 0.00 1.68 0.00 0.00 54.58 54.97 3dlz n ASN 763 Cb 0.58 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.71 3dlz n ASN 763 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3dlz s THR 764 N -0.26 1.53 0.25 3.41 -4.23 -1.26 -5.02 115.64 110.06 3dlz s THR 764 Ca 0.00 -2.14 -0.04 0.00 -1.18 0.00 0.00 61.69 58.33 3dlz s THR 764 Cb 0.00 -2.18 0.24 0.00 1.34 0.00 0.00 72.50 71.90 3dlz s THR 764 CO 0.00 -0.49 1.86 -0.65 -0.54 0.00 0.00 174.62 174.80 3dlz h PRO 765 N 2.49 1.01 -0.49 3.99 0.11 -1.99 -1.10 132.00 136.02 3dlz h PRO 765 Ca -0.38 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 3dlz h PRO 765 Cb 1.22 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 3dlz h PRO 765 CO 0.64 0.67 0.29 0.00 -0.21 0.00 0.00 178.00 179.39 3dlz h ALA 766 N 1.44 0.62 -0.31 -0.75 0.00 -1.99 -1.16 119.26 117.10 3dlz h ALA 766 Ca 0.41 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 55.08 3dlz h ALA 766 Cb 0.20 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3dlz h ALA 766 CO -0.18 0.11 -0.47 0.52 0.00 0.00 0.00 179.25 179.23 3dlz h MET 767 N 0.65 0.86 -0.89 0.00 2.86 -1.88 -2.36 114.93 114.18 3dlz h MET 767 Ca 0.17 -0.52 0.01 0.00 -2.06 0.00 0.00 59.70 57.31 3dlz h MET 767 Cb 0.00 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.67 3dlz h MET 767 CO -0.03 1.16 0.59 0.87 1.06 0.00 0.00 176.91 180.55 3dlz h LYS 768 N 0.65 1.16 -0.43 1.72 1.57 -1.10 -1.69 116.57 118.45 3dlz h LYS 768 Ca 0.03 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.59 3dlz h LYS 768 Cb 1.08 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 3dlz h LYS 768 CO 0.11 0.76 -0.31 0.37 -0.57 0.00 0.00 179.45 179.82 3dlz h GLN 769 N 1.19 0.96 -0.45 3.15 5.75 -1.07 -1.82 115.11 122.82 3dlz h GLN 769 Ca 0.33 -0.46 0.05 0.00 -0.15 0.00 0.00 58.65 58.42 3dlz h GLN 769 Cb -0.11 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.39 3dlz h GLN 769 CO -0.08 1.13 0.19 0.82 -2.65 0.00 0.00 178.83 178.24 3dlz h ILE 770 N 0.80 0.90 -0.67 2.39 2.04 -1.08 0.25 117.51 122.14 3dlz h ILE 770 Ca 0.08 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.87 3dlz h ILE 770 Cb 0.90 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 3dlz h ILE 770 CO 0.08 0.07 0.38 0.50 0.00 0.00 0.00 178.15 179.18 3dlz h LYS 771 N 0.38 0.69 -0.50 2.37 3.64 -1.15 0.14 116.57 122.14 3dlz h LYS 771 Ca 0.21 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 3dlz h LYS 771 Cb 0.17 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3dlz h LYS 771 CO -0.19 0.46 0.07 0.00 -2.27 0.00 0.00 179.45 177.52 3dlz h ARG 772 N 0.71 0.80 -0.69 1.90 3.08 -0.74 -0.43 114.38 119.01 3dlz h ARG 772 Ca 0.29 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 3dlz h ARG 772 Cb 0.15 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 3dlz h ARG 772 CO -0.17 0.76 0.19 0.87 -1.07 0.00 0.00 179.97 180.56 3dlz h LYS 773 N 0.76 1.08 -0.35 0.04 1.79 0.22 0.10 116.57 120.21 3dlz h LYS 773 Ca 0.16 -0.24 -0.14 0.00 -2.18 0.00 0.00 60.65 58.25 3dlz h LYS 773 Cb 0.36 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 3dlz h LYS 773 CO 0.01 0.95 -0.33 0.82 -1.08 0.00 0.00 179.45 179.81 3dlz h ILE 774 N 1.02 1.28 -0.32 1.86 2.04 -0.45 -0.36 117.51 122.57 3dlz h ILE 774 Ca 0.22 -1.48 0.02 0.00 1.00 0.00 0.00 64.86 64.62 3dlz h ILE 774 Cb 0.33 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 3dlz h ILE 774 CO -0.00 0.49 0.16 1.56 0.00 0.00 0.00 178.15 180.36 3dlz h GLN 775 N 0.65 0.33 -0.93 2.37 4.20 -0.92 0.01 115.11 120.83 3dlz h GLN 775 Ca 0.07 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 3dlz h GLN 775 Cb 0.87 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.53 3dlz h GLN 775 CO 0.08 0.22 0.58 1.49 -0.67 0.00 0.00 178.83 180.52 3dlz h GLU 776 N 0.34 1.25 -0.09 1.46 4.22 -0.79 -1.87 114.58 119.10 3dlz h GLU 776 Ca 0.13 -0.10 0.02 0.00 0.08 0.00 0.00 59.36 59.49 3dlz h GLU 776 Cb 0.04 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3dlz h GLU 776 CO -0.09 0.86 -0.01 0.35 -2.18 0.00 0.00 179.01 177.94 3dlz h PHE 777 N 1.27 -0.03 -0.71 0.92 3.57 -0.76 -1.17 116.94 120.04 3dlz h PHE 777 Ca 0.34 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.98 3dlz h PHE 777 Cb -0.08 0.03 -0.09 0.00 2.79 0.00 0.00 35.95 38.59 3dlz h PHE 777 CO 0.00 -0.02 0.24 1.25 -2.23 0.00 0.00 178.31 177.55 3dlz h HIS 778 N 0.02 0.39 0.00 0.41 2.76 -0.64 -0.00 115.15 118.09 3dlz h HIS 778 Ca 0.04 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 3dlz h HIS 778 Cb 0.06 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 28.95 3dlz h HIS 778 CO -0.13 0.02 -0.03 0.54 -1.30 0.00 0.00 177.93 177.03 3dlz n ARG 779 N -5.06 0.00 0.00 5.26 1.74 -0.73 -4.23 116.66 113.64 3dlz n ARG 779 Ca 0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 3dlz n ARG 779 Cb 0.39 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 3dlz n ARG 779 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3dlz n THR 780 N -1.51 0.00 0.25 0.55 -2.24 -0.47 -4.82 114.28 106.03 3dlz n THR 780 Ca 0.07 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.94 3dlz n THR 780 Cb 0.34 -0.37 0.65 0.00 -2.10 0.00 0.00 70.33 68.85 3dlz n THR 780 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dlz h MET 781 N 0.00 0.00 0.00 -0.78 -0.00 -1.19 -0.52 114.93 112.45 3dlz h MET 781 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3dlz h MET 781 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.15 3dlz h MET 781 CO 0.00 0.13 0.00 1.28 -0.00 0.00 0.00 176.91 178.32 3dlz n LEU 782 N -4.02 0.18 -1.47 -0.10 4.77 -1.26 -1.88 117.00 113.23 3dlz n LEU 782 Ca -0.02 0.56 0.01 0.00 -0.03 0.00 0.00 56.01 56.53 3dlz n LEU 782 Cb 0.21 -0.55 0.24 0.00 -2.33 0.00 0.00 43.42 40.98 3dlz n LEU 782 CO 0.33 -0.47 0.72 0.59 -1.33 0.00 0.00 177.39 177.23 3dlz n ASN 783 N -1.72 3.96 -4.38 -1.43 3.02 -0.20 -4.88 115.26 109.63 3dlz n ASN 783 Ca 0.02 -2.68 -0.27 0.00 -0.03 0.00 0.00 54.58 51.62 3dlz n ASN 783 Cb 0.11 -0.64 -0.13 0.00 -0.61 0.00 0.00 39.78 38.52 3dlz n ASN 783 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3dlz s PHE 784 N -2.13 2.21 -0.48 3.10 0.08 -0.78 -5.07 117.98 114.90 3dlz s PHE 784 Ca 0.35 -0.38 0.23 0.00 0.12 0.00 0.00 56.93 57.25 3dlz s PHE 784 Cb 0.28 -1.16 0.12 0.00 -0.57 0.00 0.00 43.02 41.68 3dlz s PHE 784 CO 0.10 0.36 1.11 0.43 -0.10 0.00 0.00 175.22 177.12 3dlz n SER 785 N 0.74 0.69 -3.64 1.36 7.64 -1.26 -4.96 113.62 114.20 3dlz n SER 785 Ca -0.17 0.09 -0.04 0.00 1.01 0.00 0.00 58.87 59.75 3dlz n SER 785 Cb 0.54 0.51 -0.01 0.00 -1.01 0.00 0.00 64.21 64.24 3dlz n SER 785 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3dlz s SER 786 N -4.51 -0.22 0.32 6.43 1.04 -1.26 -2.70 113.70 112.80 3dlz s SER 786 Ca 0.03 -0.20 0.03 0.00 0.48 0.00 0.00 55.95 56.30 3dlz s SER 786 Cb 0.12 0.38 0.63 0.00 0.10 0.00 0.00 66.02 67.25 3dlz s SER 786 CO 0.77 -0.66 1.89 0.00 0.98 0.00 0.00 173.24 176.23 3dlz h ALA 787 N 2.00 1.62 -0.16 5.32 0.00 -1.90 -1.79 119.26 124.35 3dlz h ALA 787 Ca -0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3dlz h ALA 787 Cb 1.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3dlz h ALA 787 CO 0.27 0.20 0.08 1.15 0.00 0.00 0.00 179.25 180.95 3dlz h THR 788 N 0.90 1.13 -0.33 0.00 2.02 -1.86 -0.31 112.91 114.46 3dlz h THR 788 Ca 0.41 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 67.25 3dlz h THR 788 Cb 0.38 1.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 3dlz h THR 788 CO -0.17 0.12 0.12 -0.78 0.37 0.00 0.00 175.52 175.17 3dlz h ASP 789 N 0.13 0.13 -0.34 4.18 3.58 -1.90 -0.70 116.42 121.49 3dlz h ASP 789 Ca 0.05 0.04 0.04 0.00 0.42 0.00 0.00 57.03 57.58 3dlz h ASP 789 Cb 0.12 0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.16 3dlz h ASP 789 CO -0.01 0.11 0.10 -0.07 -2.88 0.00 0.00 179.24 176.49 3dlz h LEU 790 N 0.26 0.09 -0.49 2.28 3.38 -1.10 -0.38 115.31 119.35 3dlz h LEU 790 Ca 0.15 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3dlz h LEU 790 Cb 0.12 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3dlz h LEU 790 CO -0.15 0.09 0.26 0.25 0.09 0.00 0.00 178.44 178.98 3dlz h LEU 791 N 0.24 0.62 0.00 1.67 5.85 -0.68 0.01 115.31 123.02 3dlz h LEU 791 Ca 0.15 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 3dlz h LEU 791 Cb 0.14 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3dlz h LEU 791 CO -0.17 0.55 -0.71 0.00 -0.34 0.00 0.00 178.44 177.77 3dlz n GLN 793 N -2.95 1.72 -2.58 0.00 1.13 -0.17 -5.05 117.38 109.49 3dlz n GLN 793 Ca -0.00 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.65 3dlz n GLN 793 Cb 0.64 -0.89 -0.05 0.00 0.11 0.00 0.00 30.24 30.05 3dlz n GLN 793 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 3dlz s HIS 794 N -1.61 3.71 0.51 1.08 2.46 -0.02 -4.93 115.29 116.48 3dlz s HIS 794 Ca 0.00 1.73 0.17 0.00 0.47 0.00 0.00 55.06 57.42 3dlz s HIS 794 Cb 0.00 -3.19 1.23 0.00 -0.13 0.00 0.00 32.58 30.50 3dlz s HIS 794 CO 0.00 -0.25 2.10 0.66 -2.47 0.00 0.00 174.74 174.78 3dlz h SER 795 N 4.52 0.07 -0.39 9.88 4.64 -1.96 -2.77 113.55 127.54 3dlz h SER 795 Ca -0.45 -0.00 0.11 0.00 -0.47 0.00 0.00 61.79 60.98 3dlz h SER 795 Cb 1.21 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 3dlz h SER 795 CO 0.70 0.05 0.35 0.25 -0.87 0.00 0.00 176.83 177.30 3dlz h LEU 796 N 0.08 0.00 -3.22 5.97 5.85 -1.93 -2.56 115.31 119.51 3dlz h LEU 796 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3dlz h LEU 796 Cb 0.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3dlz h LEU 796 CO -0.01 0.00 0.00 0.49 -0.34 0.00 0.00 178.44 178.58 3dlz n PHE 797 N -4.03 0.98 1.31 1.25 3.72 -1.04 -5.09 117.46 114.56 3dlz n PHE 797 Ca 0.07 -0.79 0.13 0.00 -0.05 0.00 0.00 57.45 56.80 3dlz n PHE 797 Cb 0.53 -0.28 0.36 0.00 -0.94 0.00 0.00 39.48 39.15 3dlz n PHE 797 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34