#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ii8 s ARG 488 N 0.00 4.31 0.50 3.44 1.81 -1.26 -5.03 118.95 122.72 3ii8 s ARG 488 Ca 0.00 2.00 -0.22 0.00 -1.72 0.00 0.00 55.73 55.79 3ii8 s ARG 488 Cb 0.00 -2.96 -0.06 0.00 -0.45 0.00 0.00 34.95 31.47 3ii8 s ARG 488 CO 0.00 -0.15 1.20 -0.51 -0.68 0.00 0.00 175.30 175.16 3ii8 s LEU 489 N -1.96 3.92 0.62 2.53 1.43 -1.26 -5.00 118.68 118.95 3ii8 s LEU 489 Ca 0.51 2.38 -0.18 0.00 -1.03 0.00 0.00 54.13 55.81 3ii8 s LEU 489 Cb -0.35 -4.32 -0.02 0.00 0.03 0.00 0.00 46.19 41.52 3ii8 s LEU 489 CO 0.45 -1.13 1.18 0.42 0.23 0.00 0.00 176.35 177.50 3ii8 s THR 490 N -1.53 2.74 0.40 5.49 -4.23 -1.26 -4.84 115.64 112.41 3ii8 s THR 490 Ca 0.67 0.43 0.17 0.00 -1.18 0.00 0.00 61.69 61.78 3ii8 s THR 490 Cb -0.30 -3.10 0.38 0.00 1.34 0.00 0.00 72.50 70.81 3ii8 s THR 490 CO 0.36 -0.13 1.82 0.25 -0.54 0.00 0.00 174.62 176.38 3ii8 h LEU 491 N 0.63 0.46 -0.30 4.79 5.85 -1.98 -1.29 115.31 123.47 3ii8 h LEU 491 Ca -0.49 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 3ii8 h LEU 491 Cb 1.29 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 3ii8 h LEU 491 CO 0.54 0.16 0.14 -0.78 -0.34 0.00 0.00 178.44 178.16 3ii8 h ASP 492 N 0.44 0.39 -0.41 1.25 3.58 -1.98 0.35 116.42 120.05 3ii8 h ASP 492 Ca 0.52 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.84 3ii8 h ASP 492 Cb 1.24 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 42.17 3ii8 h ASP 492 CO -0.23 0.41 0.25 0.74 -2.88 0.00 0.00 179.24 177.54 3ii8 h THR 493 N 0.35 1.12 -0.45 2.25 2.02 -1.63 -0.54 112.91 116.03 3ii8 h THR 493 Ca 0.10 -0.26 -0.07 0.00 0.77 0.00 0.00 66.41 66.96 3ii8 h THR 493 Cb 0.12 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 3ii8 h THR 493 CO -0.01 0.12 0.00 0.03 0.37 0.00 0.00 175.52 176.03 3ii8 h ARG 494 N 0.54 0.73 -0.33 6.66 3.08 -1.12 -0.64 114.38 123.30 3ii8 h ARG 494 Ca 0.15 -0.19 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 3ii8 h ARG 494 Cb -0.02 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3ii8 h ARG 494 CO -0.03 0.74 -0.36 -0.07 -1.07 0.00 0.00 179.97 179.18 3ii8 h LEU 495 N 0.68 0.81 -0.99 3.04 3.38 -0.07 -0.67 115.31 121.48 3ii8 h LEU 495 Ca 0.14 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3ii8 h LEU 495 Cb 0.42 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3ii8 h LEU 495 CO 0.02 1.09 0.63 0.03 0.09 0.00 0.00 178.44 180.30 3ii8 h ARG 496 N 0.63 1.31 -0.35 1.13 3.08 -0.57 -2.64 114.38 116.98 3ii8 h ARG 496 Ca 0.06 -0.09 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 3ii8 h ARG 496 Cb 0.91 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 3ii8 h ARG 496 CO 0.08 0.89 -0.34 1.96 -1.07 0.00 0.00 179.97 181.49 3ii8 h GLN 497 N 1.35 0.79 -0.88 0.04 4.20 -0.76 -1.99 115.11 117.85 3ii8 h GLN 497 Ca 0.36 -0.38 0.05 0.00 0.06 0.00 0.00 58.65 58.74 3ii8 h GLN 497 Cb -0.12 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.60 3ii8 h GLN 497 CO -0.07 1.01 0.56 0.00 -0.67 0.00 0.00 178.83 179.66 3ii8 h ALA 498 N 0.96 1.19 -0.44 3.87 0.00 -0.90 0.37 119.26 124.31 3ii8 h ALA 498 Ca 0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3ii8 h ALA 498 Cb 0.88 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3ii8 h ALA 498 CO 0.08 0.38 -0.06 -0.07 0.00 0.00 0.00 179.25 179.58 3ii8 h LEU 499 N 1.07 0.81 -1.16 0.00 3.38 -1.27 0.30 115.31 118.43 3ii8 h LEU 499 Ca 0.37 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3ii8 h LEU 499 Cb 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3ii8 h LEU 499 CO -0.14 0.95 -0.22 -0.08 0.09 0.00 0.00 178.44 179.05 3ii8 h GLU 500 N 0.64 0.00 -0.09 1.13 4.81 -0.69 -3.08 114.58 117.30 3ii8 h GLU 500 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3ii8 h GLU 500 Cb 0.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 3ii8 h GLU 500 CO 0.03 0.22 0.00 0.54 -0.73 0.00 0.00 179.01 179.07 3ii8 n ARG 501 N -3.40 2.59 -3.65 1.92 1.74 0.12 -5.00 116.66 110.98 3ii8 n ARG 501 Ca 0.00 -1.96 -0.25 0.00 -0.77 0.00 0.00 57.85 54.87 3ii8 n ARG 501 Cb 0.42 -1.24 0.04 0.00 -1.02 0.00 0.00 32.46 30.66 3ii8 n ARG 501 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3ii8 n ASN 502 N -0.51 -3.37 0.01 0.55 3.02 -0.19 -4.91 115.26 109.87 3ii8 n ASN 502 Ca 0.08 -0.90 0.11 0.00 -0.03 0.00 0.00 54.58 53.84 3ii8 n ASN 502 Cb 0.43 -3.87 -0.06 0.00 -0.61 0.00 0.00 39.78 35.67 3ii8 n ASN 502 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ii8 n GLU 503 N -4.10 0.32 -2.04 3.52 1.02 0.87 -4.93 120.64 115.30 3ii8 n GLU 503 Ca -0.19 -0.05 -0.32 0.00 -0.02 0.00 0.00 57.16 56.58 3ii8 n GLU 503 Cb 0.64 -1.56 0.01 0.00 -0.02 0.00 0.00 31.44 30.50 3ii8 n GLU 503 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3ii8 s LEU 504 N -3.89 3.44 0.06 -4.62 1.43 -1.26 -0.77 118.68 113.08 3ii8 s LEU 504 Ca 0.02 1.67 -0.04 0.00 -1.03 0.00 0.00 54.13 54.75 3ii8 s LEU 504 Cb 0.15 -4.51 -0.02 0.00 0.03 0.00 0.00 46.19 41.83 3ii8 s LEU 504 CO 0.84 -1.02 0.05 0.54 0.23 0.00 0.00 176.35 176.99 3ii8 s VAL 505 N -2.69 0.19 -0.11 -1.59 0.11 -0.06 -4.83 120.40 111.42 3ii8 s VAL 505 Ca 0.60 -1.54 -0.01 0.00 -2.93 0.00 0.00 61.98 58.10 3ii8 s VAL 505 Cb -0.13 -1.41 -0.03 0.00 -1.53 0.00 0.00 36.38 33.28 3ii8 s VAL 505 CO 0.40 -0.85 -0.05 -0.76 -3.33 0.00 0.00 175.10 170.51 3ii8 s LEU 506 N -2.84 3.23 0.23 2.54 1.43 -1.26 -0.80 118.68 121.21 3ii8 s LEU 506 Ca 0.05 -0.06 0.06 0.00 -1.03 0.00 0.00 54.13 53.15 3ii8 s LEU 506 Cb 0.06 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 3ii8 s LEU 506 CO -0.10 0.27 0.25 -1.00 0.23 0.00 0.00 176.35 176.00 3ii8 s HIS 507 N -0.26 3.25 -0.12 0.29 3.76 0.81 -4.25 115.29 118.77 3ii8 s HIS 507 Ca 0.04 -0.05 0.00 0.00 -0.15 0.00 0.00 55.06 54.90 3ii8 s HIS 507 Cb -0.13 -1.49 0.02 0.00 1.11 0.00 0.00 32.58 32.10 3ii8 s HIS 507 CO 0.02 0.49 -0.11 0.71 -0.85 0.00 0.00 174.74 175.01 3ii8 s TYR 508 N -2.01 1.71 -0.23 1.40 2.02 0.91 0.06 117.35 121.20 3ii8 s TYR 508 Ca 0.33 -0.86 -0.13 0.00 -0.37 0.00 0.00 57.07 56.04 3ii8 s TYR 508 Cb -0.09 -1.33 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 3ii8 s TYR 508 CO 0.26 -0.52 0.28 -1.14 -1.57 0.00 0.00 175.55 172.86 3ii8 s GLN 509 N 1.46 4.09 0.28 -0.62 0.74 -0.84 -0.82 119.66 123.95 3ii8 s GLN 509 Ca 0.02 -0.06 -0.30 0.00 0.05 0.00 0.00 55.36 55.07 3ii8 s GLN 509 Cb -0.13 -3.56 -0.13 0.00 1.10 0.00 0.00 33.01 30.29 3ii8 s GLN 509 CO -0.07 -0.03 1.39 -2.30 -0.55 0.00 0.00 175.29 173.73 3ii8 n PRO 510 N 4.54 2.14 -3.91 1.67 -0.02 -1.26 -0.65 135.00 137.51 3ii8 n PRO 510 Ca -0.12 0.76 -0.35 0.00 -2.02 0.00 0.00 63.50 61.77 3ii8 n PRO 510 Cb 0.51 -2.40 -0.09 0.00 -0.02 0.00 0.00 33.50 31.50 3ii8 n PRO 510 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ii8 s ILE 511 N -0.39 5.00 -0.07 4.25 1.01 -0.41 -4.51 121.20 126.08 3ii8 s ILE 511 Ca 0.63 0.04 0.05 0.00 0.00 0.00 0.00 60.65 61.38 3ii8 s ILE 511 Cb -0.61 -3.26 -0.01 0.00 0.01 0.00 0.00 42.46 38.59 3ii8 s ILE 511 CO 0.54 0.45 -0.23 -0.69 0.00 0.00 0.00 174.94 175.00 3ii8 s VAL 512 N 0.39 2.19 -0.30 2.92 1.01 0.89 -1.05 120.40 126.45 3ii8 s VAL 512 Ca 0.05 -1.01 -0.29 0.00 0.00 0.00 0.00 61.98 60.73 3ii8 s VAL 512 Cb -0.12 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.45 3ii8 s VAL 512 CO -0.00 0.57 1.30 -0.70 0.00 0.00 0.00 175.10 176.26 3ii8 s GLU 513 N -0.07 3.91 0.47 2.72 2.12 0.12 0.26 118.70 128.22 3ii8 s GLU 513 Ca -0.06 1.23 0.17 0.00 0.36 0.00 0.00 54.97 56.67 3ii8 s GLU 513 Cb -0.14 -3.88 1.15 0.00 0.26 0.00 0.00 34.13 31.52 3ii8 s GLU 513 CO 0.05 -1.13 1.99 -0.07 -0.54 0.00 0.00 175.26 175.57 3ii8 h LEU 514 N 10.88 0.23 -0.40 2.70 3.38 -0.94 0.88 115.31 132.05 3ii8 h LEU 514 Ca -0.26 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.54 3ii8 h LEU 514 Cb 1.10 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 3ii8 h LEU 514 CO 1.03 0.14 -0.53 0.00 0.09 0.00 0.00 178.44 179.17 3ii8 h ALA 515 N 1.73 0.57 0.00 1.53 0.00 -1.89 -3.33 119.26 117.88 3ii8 h ALA 515 Ca 0.25 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3ii8 h ALA 515 Cb 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3ii8 h ALA 515 CO -0.05 0.68 -0.83 -1.13 0.00 0.00 0.00 179.25 177.92 3ii8 n SER 516 N -3.99 1.57 -0.31 0.00 3.41 -1.16 -5.00 113.62 108.14 3ii8 n SER 516 Ca -0.04 -0.39 -0.04 0.00 -0.26 0.00 0.00 58.87 58.15 3ii8 n SER 516 Cb 0.61 1.17 -0.02 0.00 -0.26 0.00 0.00 64.21 65.71 3ii8 n SER 516 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ii8 n GLY 517 N 1.56 0.66 3.79 5.00 0.00 0.29 -5.01 105.19 111.49 3ii8 n GLY 517 Ca 0.00 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 3ii8 n GLY 517 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ii8 s ARG 518 N -1.73 4.44 -0.32 1.61 3.52 -1.24 -4.81 118.95 120.42 3ii8 s ARG 518 Ca 0.00 1.11 -0.26 0.00 -0.13 0.00 0.00 55.73 56.45 3ii8 s ARG 518 Cb 0.00 -2.89 0.01 0.00 -1.56 0.00 0.00 34.95 30.51 3ii8 s ARG 518 CO 0.00 0.36 0.90 0.42 -0.81 0.00 0.00 175.30 176.18 3ii8 s ILE 519 N -1.52 4.67 -0.29 4.11 1.01 -1.26 -0.71 121.20 127.21 3ii8 s ILE 519 Ca 0.45 1.36 0.03 0.00 0.00 0.00 0.00 60.65 62.49 3ii8 s ILE 519 Cb -0.18 -4.27 0.01 0.00 0.01 0.00 0.00 42.46 38.03 3ii8 s ILE 519 CO 0.23 -0.37 0.47 1.33 0.00 0.00 0.00 174.94 176.60 3ii8 n VAL 520 N 5.71 0.00 -2.87 2.92 0.24 -0.22 -4.92 118.33 119.20 3ii8 n VAL 520 Ca 0.07 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 3ii8 n VAL 520 Cb 0.48 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 3ii8 n VAL 520 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ii8 n GLY 521 N 0.38 1.75 3.64 7.63 0.00 -1.12 -2.65 105.19 114.82 3ii8 n GLY 521 Ca 0.01 -0.80 -0.05 0.00 0.00 0.00 0.00 46.02 45.18 3ii8 n GLY 521 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ii8 s GLY 522 N -1.05 0.12 -0.26 -0.02 0.00 -1.17 -1.29 107.32 103.66 3ii8 s GLY 522 Ca 0.00 3.07 -0.11 0.00 0.00 0.00 0.00 44.72 47.69 3ii8 s GLY 522 CO 0.00 1.74 0.17 1.85 0.00 0.00 0.00 173.10 176.86 3ii8 s GLU 523 N -0.12 4.01 0.22 2.90 2.12 0.18 -1.49 118.70 126.51 3ii8 s GLU 523 Ca 0.06 -0.30 -0.30 0.00 0.36 0.00 0.00 54.97 54.79 3ii8 s GLU 523 Cb -0.04 -3.57 -0.09 0.00 0.26 0.00 0.00 34.13 30.68 3ii8 s GLU 523 CO -0.11 -0.04 1.36 0.00 -0.54 0.00 0.00 175.26 175.94 3ii8 s ALA 524 N 1.35 3.57 -0.04 6.30 0.00 0.24 -1.98 121.76 131.19 3ii8 s ALA 524 Ca 0.07 1.20 -0.01 0.00 0.00 0.00 0.00 51.96 53.23 3ii8 s ALA 524 Cb -0.15 -3.51 0.03 0.00 0.00 0.00 0.00 23.12 19.49 3ii8 s ALA 524 CO 0.07 -0.62 0.01 -0.51 0.00 0.00 0.00 175.76 174.71 3ii8 s LEU 525 N -0.29 0.81 0.29 0.00 1.43 0.11 -4.51 118.68 116.52 3ii8 s LEU 525 Ca 0.57 -0.03 -0.21 0.00 -1.03 0.00 0.00 54.13 53.44 3ii8 s LEU 525 Cb -0.39 -0.28 -0.09 0.00 0.03 0.00 0.00 46.19 45.46 3ii8 s LEU 525 CO 0.41 -0.15 0.81 0.54 0.23 0.00 0.00 176.35 178.19 3ii8 s VAL 526 N 1.51 4.47 0.05 -1.59 0.11 -1.26 -0.14 120.40 123.55 3ii8 s VAL 526 Ca -0.03 1.40 -0.01 0.00 -2.93 0.00 0.00 61.98 60.40 3ii8 s VAL 526 Cb -0.13 -3.82 -0.04 0.00 -1.53 0.00 0.00 36.38 30.86 3ii8 s VAL 526 CO -0.03 0.06 -0.02 -0.13 -3.33 0.00 0.00 175.10 171.65 3ii8 s ARG 527 N -2.32 0.61 -0.27 1.54 1.81 0.02 -3.89 118.95 116.46 3ii8 s ARG 527 Ca 0.49 -1.17 -0.03 0.00 -1.72 0.00 0.00 55.73 53.30 3ii8 s ARG 527 Cb -0.15 0.21 0.03 0.00 -0.45 0.00 0.00 34.95 34.59 3ii8 s ARG 527 CO 0.20 -0.12 -0.02 -0.46 -0.68 0.00 0.00 175.30 174.23 3ii8 s TRP 528 N -3.77 3.12 -1.01 -0.53 -0.00 -0.51 -0.88 118.94 115.36 3ii8 s TRP 528 Ca 0.06 -1.47 -0.19 0.00 -0.00 0.00 0.00 56.10 54.50 3ii8 s TRP 528 Cb 0.07 -2.11 0.12 0.00 -0.00 0.00 0.00 33.47 31.54 3ii8 s TRP 528 CO -0.10 -0.71 1.27 -2.00 -0.00 0.00 0.00 176.95 175.42 3ii8 s GLU 529 N 1.35 3.70 -0.26 5.86 2.56 0.05 -0.53 118.70 131.44 3ii8 s GLU 529 Ca -0.00 -1.80 -0.22 0.00 0.00 0.00 0.00 54.97 52.95 3ii8 s GLU 529 Cb -0.17 -5.05 -0.01 0.00 2.00 0.00 0.00 34.13 30.89 3ii8 s GLU 529 CO -0.02 -1.88 0.69 0.34 -0.56 0.00 0.00 175.26 173.83 3ii8 s ASP 530 N 3.77 6.65 0.50 -1.70 -1.08 -0.55 -4.80 116.67 119.45 3ii8 s ASP 530 Ca 0.38 0.78 0.22 0.00 -0.52 0.00 0.00 52.55 53.41 3ii8 s ASP 530 Cb -0.03 -2.37 1.28 0.00 -1.46 0.00 0.00 42.92 40.35 3ii8 s ASP 530 CO -0.07 -0.43 1.98 -0.65 0.52 0.00 0.00 175.17 176.52 3ii8 h PRO 531 N 7.86 0.13 0.00 4.34 0.11 -1.93 0.78 132.00 143.29 3ii8 h PRO 531 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3ii8 h PRO 531 Cb 1.11 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3ii8 h PRO 531 CO 0.81 0.09 -0.15 0.93 -0.21 0.00 0.00 178.00 179.46 3ii8 h GLU 532 N 0.13 0.00 0.00 1.05 5.08 -2.01 -3.40 114.58 115.43 3ii8 h GLU 532 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3ii8 h GLU 532 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3ii8 h GLU 532 CO -0.04 0.00 -0.37 0.54 -1.00 0.00 0.00 179.01 178.14 3ii8 n ARG 533 N -2.36 3.00 0.00 2.33 1.74 -0.45 -5.15 116.66 115.78 3ii8 n ARG 533 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 3ii8 n ARG 533 Cb 0.45 -0.69 0.00 0.00 -1.02 0.00 0.00 32.46 31.20 3ii8 n ARG 533 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ii8 n GLY 534 N 1.10 -0.38 3.56 -0.13 0.00 0.26 -4.88 105.19 104.71 3ii8 n GLY 534 Ca 0.00 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 3ii8 n GLY 534 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ii8 s LEU 535 N 0.00 3.40 0.00 0.99 2.96 -1.26 -1.49 118.68 123.28 3ii8 s LEU 535 Ca 0.00 -1.10 0.00 0.00 -0.22 0.00 0.00 54.13 52.81 3ii8 s LEU 535 Cb 0.00 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 44.13 3ii8 s LEU 535 CO 0.00 -1.62 0.00 0.52 -1.32 0.00 0.00 176.35 173.93 3ii8 n VAL 536 N 6.70 0.00 -0.04 1.68 0.31 0.31 -4.92 118.33 122.37 3ii8 n VAL 536 Ca 0.22 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.40 3ii8 n VAL 536 Cb 0.50 -1.55 -0.14 0.00 -0.91 0.00 0.00 33.84 31.74 3ii8 n VAL 536 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3ii8 n PRO 538 N -0.64 0.69 0.02 5.55 -0.04 -1.25 -1.42 135.00 137.90 3ii8 n PRO 538 Ca 0.00 0.22 0.21 0.00 -0.04 0.00 0.00 63.50 63.89 3ii8 n PRO 538 Cb 0.00 -1.68 0.72 0.00 -0.04 0.00 0.00 33.50 32.50 3ii8 n PRO 538 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3ii8 h SER 539 N 0.03 0.00 0.77 3.54 4.64 -1.99 0.28 113.55 120.82 3ii8 h SER 539 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3ii8 h SER 539 Cb 2.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.13 3ii8 h SER 539 CO 0.05 0.00 -0.12 0.00 -0.87 0.00 0.00 176.83 175.89 3ii8 n ALA 540 N -2.56 2.65 0.00 5.18 0.00 -1.26 -4.46 120.51 120.07 3ii8 n ALA 540 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3ii8 n ALA 540 Cb 0.62 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3ii8 n ALA 540 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3ii8 n PHE 541 N -1.41 0.00 -0.24 0.00 1.16 -0.36 -4.83 117.46 111.79 3ii8 n PHE 541 Ca 0.08 0.00 -0.06 0.00 -1.87 0.00 0.00 57.45 55.60 3ii8 n PHE 541 Cb 0.32 0.00 0.04 0.00 -1.61 0.00 0.00 39.48 38.23 3ii8 n PHE 541 CO 0.00 0.00 0.00 0.82 -1.87 0.00 0.00 176.76 175.71 3ii8 h ILE 542 N 0.00 1.20 -0.46 1.97 1.08 -0.74 0.15 117.51 120.70 3ii8 h ILE 542 Ca 0.00 -0.50 -0.07 0.00 -0.39 0.00 0.00 64.86 63.90 3ii8 h ILE 542 Cb 0.00 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 34.07 3ii8 h ILE 542 CO 0.00 0.22 -0.00 -0.65 -0.69 0.00 0.00 178.15 177.03 3ii8 h PRO 543 N 0.90 0.77 -0.56 2.37 0.11 -1.78 -1.76 132.00 132.04 3ii8 h PRO 543 Ca 0.23 -0.20 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 3ii8 h PRO 543 Cb 0.03 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 3ii8 h PRO 543 CO -0.04 0.78 0.22 0.00 -0.21 0.00 0.00 178.00 178.75 3ii8 h ALA 544 N 1.28 0.72 0.00 -0.75 0.00 -1.71 -2.78 119.26 116.02 3ii8 h ALA 544 Ca 0.14 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3ii8 h ALA 544 Cb 0.44 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3ii8 h ALA 544 CO 0.02 0.34 -0.37 0.00 0.00 0.00 0.00 179.25 179.24 3ii8 h ALA 545 N 1.07 1.32 0.00 0.00 0.00 -0.48 -2.82 119.26 118.35 3ii8 h ALA 545 Ca 0.19 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3ii8 h ALA 545 Cb 0.21 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3ii8 h ALA 545 CO -0.01 0.46 -0.46 0.93 0.00 0.00 0.00 179.25 180.16 3ii8 h GLU 546 N 0.00 0.00 0.00 0.00 5.08 -1.06 -1.04 114.58 117.56 3ii8 h GLU 546 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 3ii8 h GLU 546 Cb 0.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3ii8 h GLU 546 CO 0.05 0.46 -0.26 -0.44 -1.00 0.00 0.00 179.01 177.82 3ii8 h ASP 547 N 0.00 0.00 0.00 1.42 3.45 -1.28 -3.32 116.42 116.69 3ii8 h ASP 547 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3ii8 h ASP 547 Cb 0.94 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.71 3ii8 h ASP 547 CO 0.06 0.26 -1.32 0.35 -1.57 0.00 0.00 179.24 177.02 3ii8 n THR 548 N -3.27 0.00 -0.54 0.35 -2.24 -1.15 -5.00 114.28 102.44 3ii8 n THR 548 Ca 0.01 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3ii8 n THR 548 Cb 0.54 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 3ii8 n THR 548 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ii8 n GLY 549 N 1.67 0.75 0.19 3.38 0.00 -0.49 -4.91 105.19 105.78 3ii8 n GLY 549 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.15 3ii8 n GLY 549 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ii8 h LEU 550 N 0.00 0.00 -1.33 0.99 5.85 -1.66 -2.73 115.31 116.43 3ii8 h LEU 550 Ca 0.00 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.86 3ii8 h LEU 550 Cb 0.00 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 3ii8 h LEU 550 CO 0.00 0.00 0.56 -0.29 -0.34 0.00 0.00 178.44 178.37 3ii8 h ILE 551 N 0.00 0.84 0.75 4.05 6.09 -1.69 -1.47 117.51 126.08 3ii8 h ILE 551 Ca 0.00 -0.23 -0.04 0.00 -1.37 0.00 0.00 64.86 63.23 3ii8 h ILE 551 Cb 0.48 0.13 0.00 0.00 0.47 0.00 0.00 36.82 37.90 3ii8 h ILE 551 CO 0.00 0.12 -0.38 0.58 -3.07 0.00 0.00 178.15 175.40 3ii8 h VAL 552 N 0.66 0.22 -0.69 2.19 2.07 -1.78 0.38 116.25 119.30 3ii8 h VAL 552 Ca 0.43 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.01 3ii8 h VAL 552 Cb 0.70 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 3ii8 h VAL 552 CO -0.18 0.00 0.45 0.00 0.02 0.00 0.00 177.57 177.86 3ii8 h ALA 553 N -0.80 1.73 -0.12 1.67 0.00 -1.68 -1.20 119.26 118.86 3ii8 h ALA 553 Ca -0.10 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.55 3ii8 h ALA 553 Cb 0.81 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.42 3ii8 h ALA 553 CO 0.15 0.17 -0.85 1.25 0.00 0.00 0.00 179.25 179.97 3ii8 h LEU 554 N 0.72 0.94 -0.62 0.00 6.46 -0.90 -2.48 115.31 119.42 3ii8 h LEU 554 Ca 0.30 -0.65 -0.12 0.00 -0.12 0.00 0.00 57.88 57.29 3ii8 h LEU 554 Cb 0.25 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 3ii8 h LEU 554 CO -0.09 1.45 -0.21 0.28 -0.62 0.00 0.00 178.44 179.24 3ii8 h SER 555 N 0.51 0.88 -0.71 1.25 0.02 0.14 -2.00 113.55 113.65 3ii8 h SER 555 Ca -0.07 -0.32 0.07 0.00 -0.84 0.00 0.00 61.79 60.63 3ii8 h SER 555 Cb 1.48 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 63.72 3ii8 h SER 555 CO 0.17 1.06 0.38 0.44 -1.14 0.00 0.00 176.83 177.75 3ii8 h ASP 556 N 0.75 0.55 -0.35 3.07 3.32 -1.18 0.80 116.42 123.39 3ii8 h ASP 556 Ca 0.10 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.21 3ii8 h ASP 556 Cb 0.75 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 3ii8 h ASP 556 CO 0.06 0.34 0.19 -0.25 -1.72 0.00 0.00 179.24 177.86 3ii8 h TRP 557 N 0.69 0.35 -0.10 4.55 7.01 -1.09 -1.45 115.95 125.90 3ii8 h TRP 557 Ca 0.33 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.34 3ii8 h TRP 557 Cb 0.26 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 27.21 3ii8 h TRP 557 CO -0.08 0.19 0.04 0.28 -2.79 0.00 0.00 178.44 176.08 3ii8 h VAL 558 N 0.38 1.15 -0.26 2.65 2.07 -0.83 0.31 116.25 121.72 3ii8 h VAL 558 Ca 0.14 -0.47 0.06 0.00 0.82 0.00 0.00 66.70 67.25 3ii8 h VAL 558 Cb 0.03 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 3ii8 h VAL 558 CO -0.09 0.14 -0.12 -0.07 0.02 0.00 0.00 177.57 177.46 3ii8 h LEU 559 N 0.00 -0.39 -0.08 2.57 3.38 -0.73 0.23 115.31 120.29 3ii8 h LEU 559 Ca 0.03 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3ii8 h LEU 559 Cb 0.18 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3ii8 h LEU 559 CO -0.00 -0.15 0.02 -0.08 0.09 0.00 0.00 178.44 178.32 3ii8 h GLU 560 N -0.08 0.12 -0.98 1.13 4.81 -0.99 -1.07 114.58 117.53 3ii8 h GLU 560 Ca 0.14 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3ii8 h GLU 560 Cb 0.28 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.59 3ii8 h GLU 560 CO -0.31 0.28 0.65 0.00 -0.73 0.00 0.00 179.01 178.90 3ii8 h ALA 561 N 0.83 1.26 -0.09 2.92 0.00 -0.13 -0.59 119.26 123.45 3ii8 h ALA 561 Ca 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ii8 h ALA 561 Cb 0.21 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3ii8 h ALA 561 CO -0.00 0.60 0.04 0.00 0.00 0.00 0.00 179.25 179.89 3ii8 h THR 564 N 0.13 0.53 -0.36 0.00 2.02 -1.06 -1.52 112.91 112.64 3ii8 h THR 564 Ca 0.06 -0.12 -0.15 0.00 0.77 0.00 0.00 66.41 66.96 3ii8 h THR 564 Cb 0.15 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 3ii8 h THR 564 CO -0.01 0.07 -0.36 -0.61 0.37 0.00 0.00 175.52 174.98 3ii8 h GLN 565 N 0.36 0.88 -0.49 6.66 5.75 -0.93 -0.78 115.11 126.57 3ii8 h GLN 565 Ca 0.47 -0.46 -0.12 0.00 -0.15 0.00 0.00 58.65 58.38 3ii8 h GLN 565 Cb 0.81 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.36 3ii8 h GLN 565 CO -0.49 1.11 -0.18 1.25 -2.65 0.00 0.00 178.83 177.87 3ii8 h LEU 566 N 0.68 0.98 -0.87 -2.39 5.85 -1.08 -1.83 115.31 116.65 3ii8 h LEU 566 Ca 0.06 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.44 3ii8 h LEU 566 Cb 0.95 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 3ii8 h LEU 566 CO 0.09 1.13 0.58 0.03 -0.34 0.00 0.00 178.44 179.92 3ii8 h ARG 567 N 0.84 1.13 0.29 1.25 2.47 -1.00 -0.18 114.38 119.18 3ii8 h ARG 567 Ca 0.12 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 3ii8 h ARG 567 Cb 0.74 -0.26 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 3ii8 h ARG 567 CO 0.06 0.75 -0.14 0.00 0.56 0.00 0.00 179.97 181.20 3ii8 h ALA 568 N 1.32 -0.39 -0.79 0.04 0.00 -0.82 -1.29 119.26 117.33 3ii8 h ALA 568 Ca 0.32 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.18 3ii8 h ALA 568 Cb -0.12 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3ii8 h ALA 568 CO -0.07 -0.70 0.52 -1.49 0.00 0.00 0.00 179.25 177.51 3ii8 h TRP 569 N -0.42 0.93 -0.59 0.00 6.55 -1.07 0.56 115.95 121.91 3ii8 h TRP 569 Ca -0.04 0.02 -0.05 0.00 0.95 0.00 0.00 58.89 59.78 3ii8 h TRP 569 Cb 0.32 -0.31 -0.02 0.00 -0.86 0.00 0.00 29.16 28.28 3ii8 h TRP 569 CO -0.05 0.53 0.18 1.96 -1.05 0.00 0.00 178.44 180.01 3ii8 h GLN 570 N 0.96 0.92 -0.15 0.49 4.20 -0.92 0.57 115.11 121.18 3ii8 h GLN 570 Ca 0.32 -0.20 -0.12 0.00 0.06 0.00 0.00 58.65 58.71 3ii8 h GLN 570 Cb 0.08 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3ii8 h GLN 570 CO -0.10 0.83 -0.44 0.37 -0.67 0.00 0.00 178.83 178.82 3ii8 h GLN 571 N 0.84 0.35 0.00 1.46 4.15 -0.45 -2.00 115.11 119.45 3ii8 h GLN 571 Ca 0.19 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3ii8 h GLN 571 Cb 0.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.99 3ii8 h GLN 571 CO -0.01 0.73 0.00 1.04 -1.93 0.00 0.00 178.83 178.66 3ii8 n GLN 572 N -4.00 0.24 -0.79 1.69 6.02 0.12 -4.88 117.38 115.78 3ii8 n GLN 572 Ca -0.02 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 3ii8 n GLN 572 Cb 0.51 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.27 3ii8 n GLN 572 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ii8 n GLY 573 N 1.13 0.60 0.09 1.08 0.00 -0.75 -4.96 105.19 102.37 3ii8 n GLY 573 Ca 0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 3ii8 n GLY 573 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ii8 n ARG 574 N -2.79 0.63 -3.47 1.61 1.74 0.19 -4.83 116.66 109.74 3ii8 n ARG 574 Ca 0.00 0.20 -0.37 0.00 -0.77 0.00 0.00 57.85 56.91 3ii8 n ARG 574 Cb 0.00 -1.78 -0.07 0.00 -1.02 0.00 0.00 32.46 29.59 3ii8 n ARG 574 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ii8 s ALA 575 N -2.87 3.57 0.93 7.54 0.00 -0.62 -4.72 121.76 125.59 3ii8 s ALA 575 Ca -0.04 -0.50 -0.12 0.00 0.00 0.00 0.00 51.96 51.30 3ii8 s ALA 575 Cb 0.09 -2.51 0.15 0.00 0.00 0.00 0.00 23.12 20.85 3ii8 s ALA 575 CO 0.82 -0.11 1.12 0.00 0.00 0.00 0.00 175.76 177.59 3ii8 s ALA 576 N 0.89 1.52 0.41 0.00 0.00 -1.26 -4.65 121.76 118.67 3ii8 s ALA 576 Ca 0.18 -0.44 0.12 0.00 0.00 0.00 0.00 51.96 51.81 3ii8 s ALA 576 Cb -0.14 -3.07 0.94 0.00 0.00 0.00 0.00 23.12 20.85 3ii8 s ALA 576 CO 0.06 -2.44 1.95 0.22 0.00 0.00 0.00 175.76 175.56 3ii8 h ASP 577 N -1.61 0.47 0.45 0.00 1.82 -2.00 -1.98 116.42 113.57 3ii8 h ASP 577 Ca -0.52 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 3ii8 h ASP 577 Cb 1.33 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.25 3ii8 h ASP 577 CO 0.60 0.28 -0.25 -0.90 -1.61 0.00 0.00 179.24 177.36 3ii8 n ASP 578 N -4.48 0.57 -4.67 2.28 5.75 -1.26 -4.89 116.55 109.86 3ii8 n ASP 578 Ca 0.11 -0.43 -0.42 0.00 -0.01 0.00 0.00 54.79 54.04 3ii8 n ASP 578 Cb 0.37 0.03 -0.03 0.00 -1.03 0.00 0.00 41.12 40.46 3ii8 n ASP 578 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3ii8 s LEU 579 N -2.70 4.27 0.42 -2.12 2.96 -0.75 -4.75 118.68 116.01 3ii8 s LEU 579 Ca 0.20 2.02 0.07 0.00 -0.22 0.00 0.00 54.13 56.21 3ii8 s LEU 579 Cb 0.19 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.30 3ii8 s LEU 579 CO 0.56 -0.83 0.28 0.42 -1.32 0.00 0.00 176.35 175.46 3ii8 s THR 580 N 3.51 2.43 0.01 3.68 -4.23 -1.09 -4.91 115.64 115.04 3ii8 s THR 580 Ca 0.65 -1.53 0.02 0.00 -1.18 0.00 0.00 61.69 59.65 3ii8 s THR 580 Cb -0.29 -2.96 -0.01 0.00 1.34 0.00 0.00 72.50 70.58 3ii8 s THR 580 CO 0.24 0.00 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.48 3ii8 s LEU 581 N -4.02 2.07 0.10 4.79 1.43 -0.93 -3.05 118.68 119.07 3ii8 s LEU 581 Ca 0.44 -0.22 0.05 0.00 -1.03 0.00 0.00 54.13 53.37 3ii8 s LEU 581 Cb 0.01 -0.33 -0.04 0.00 0.03 0.00 0.00 46.19 45.86 3ii8 s LEU 581 CO 0.25 0.03 -0.00 -0.44 0.23 0.00 0.00 176.35 176.41 3ii8 s SER 582 N -0.49 4.95 -0.06 2.29 0.01 -0.56 -1.50 113.70 118.34 3ii8 s SER 582 Ca 0.00 -0.22 0.01 0.00 1.31 0.00 0.00 55.95 57.05 3ii8 s SER 582 Cb -0.04 -1.15 0.02 0.00 0.21 0.00 0.00 66.02 65.06 3ii8 s SER 582 CO -0.00 0.16 -0.08 -0.69 0.41 0.00 0.00 173.24 173.04 3ii8 s VAL 583 N -1.37 0.87 0.12 3.43 1.01 -0.53 -0.59 120.40 123.34 3ii8 s VAL 583 Ca 0.26 -0.30 -0.31 0.00 0.00 0.00 0.00 61.98 61.62 3ii8 s VAL 583 Cb -0.11 -0.84 -0.08 0.00 0.00 0.00 0.00 36.38 35.34 3ii8 s VAL 583 CO 0.18 0.31 1.44 0.20 0.00 0.00 0.00 175.10 177.22 3ii8 s ASN 584 N 0.93 6.77 -0.15 3.32 0.01 -1.26 -1.26 114.94 123.30 3ii8 s ASN 584 Ca -0.10 2.39 0.01 0.00 -0.71 0.00 0.00 52.86 54.44 3ii8 s ASN 584 Cb -0.15 -2.59 -0.00 0.00 0.41 0.00 0.00 41.25 38.93 3ii8 s ASN 584 CO 0.01 -0.70 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.10 3ii8 s ILE 585 N 1.23 2.56 0.39 0.60 -1.09 0.16 -4.92 121.20 120.13 3ii8 s ILE 585 Ca 0.66 -0.81 -0.25 0.00 -2.23 0.00 0.00 60.65 58.02 3ii8 s ILE 585 Cb -0.38 -2.06 -0.09 0.00 -1.58 0.00 0.00 42.46 38.35 3ii8 s ILE 585 CO 0.30 0.52 1.12 -0.55 -1.23 0.00 0.00 174.94 175.10 3ii8 s SER 586 N 0.73 6.66 0.46 3.58 0.15 -1.26 -4.45 113.70 119.57 3ii8 s SER 586 Ca -0.07 2.22 0.12 0.00 0.70 0.00 0.00 55.95 58.91 3ii8 s SER 586 Cb -0.16 -2.60 1.05 0.00 -1.71 0.00 0.00 66.02 62.60 3ii8 s SER 586 CO 0.01 -0.57 2.08 0.71 1.20 0.00 0.00 173.24 176.68 3ii8 h THR 587 N 2.33 1.03 -1.15 6.45 1.35 -1.98 -2.19 112.91 118.75 3ii8 h THR 587 Ca -0.48 -0.11 0.42 0.00 -0.55 0.00 0.00 66.41 65.69 3ii8 h THR 587 Cb 1.23 0.69 -0.14 0.00 -1.73 0.00 0.00 68.15 68.19 3ii8 h THR 587 CO 0.63 0.06 0.70 0.54 -0.25 0.00 0.00 175.52 177.20 3ii8 n ARG 588 N -4.49 -0.04 0.00 4.72 5.12 -1.26 -1.34 116.66 119.36 3ii8 n ARG 588 Ca 0.02 1.19 0.07 0.00 -1.93 0.00 0.00 57.85 57.19 3ii8 n ARG 588 Cb 0.12 -2.27 0.36 0.00 -1.16 0.00 0.00 32.46 29.51 3ii8 n ARG 588 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3ii8 n GLN 589 N -4.72 0.24 0.10 5.56 6.02 -0.82 -2.70 117.38 121.07 3ii8 n GLN 589 Ca 0.36 0.13 0.01 0.00 -0.01 0.00 0.00 57.00 57.49 3ii8 n GLN 589 Cb 1.35 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 31.10 3ii8 n GLN 589 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 3ii8 h PHE 590 N 0.00 0.00 -1.96 1.08 0.04 -1.44 -0.41 116.94 114.25 3ii8 h PHE 590 Ca 0.00 0.00 -0.64 0.00 2.80 0.00 0.00 57.97 60.13 3ii8 h PHE 590 Cb 0.10 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.28 3ii8 h PHE 590 CO 0.00 0.54 0.90 -1.91 -0.60 0.00 0.00 178.31 177.24 3ii8 n GLU 591 N -3.12 1.85 -2.32 1.51 2.13 -1.10 -0.64 120.64 118.95 3ii8 n GLU 591 Ca -0.02 0.68 -0.17 0.00 0.66 0.00 0.00 57.16 58.31 3ii8 n GLU 591 Cb 0.77 -2.45 -0.01 0.00 0.27 0.00 0.00 31.44 30.03 3ii8 n GLU 591 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ii8 n GLY 592 N 3.87 -0.33 2.05 8.31 0.00 -1.26 -2.91 105.19 114.92 3ii8 n GLY 592 Ca 0.21 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 3ii8 n GLY 592 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ii8 n GLU 593 N -2.62 -1.60 -0.22 1.61 1.02 0.18 -4.83 120.64 114.18 3ii8 n GLU 593 Ca -0.20 0.61 0.03 0.00 -0.02 0.00 0.00 57.16 57.58 3ii8 n GLU 593 Cb 0.65 -4.95 0.14 0.00 -0.02 0.00 0.00 31.44 27.27 3ii8 n GLU 593 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3ii8 h HIS 594 N 0.00 0.22 -0.90 -0.32 2.76 -1.59 -2.81 115.15 112.51 3ii8 h HIS 594 Ca -0.24 0.04 0.17 0.00 -2.20 0.00 0.00 60.37 58.14 3ii8 h HIS 594 Cb 0.88 0.01 -0.16 0.00 1.55 0.00 0.00 27.41 29.68 3ii8 h HIS 594 CO 0.45 -0.06 -0.29 1.25 -1.30 0.00 0.00 177.93 177.97 3ii8 h LEU 595 N 0.26 -1.06 -0.99 0.26 5.85 -1.36 0.16 115.31 118.43 3ii8 h LEU 595 Ca 0.36 0.28 0.06 0.00 0.84 0.00 0.00 57.88 59.42 3ii8 h LEU 595 Cb 0.58 0.62 -0.06 0.00 0.37 0.00 0.00 40.66 42.17 3ii8 h LEU 595 CO -0.46 -0.30 0.64 0.74 -0.34 0.00 0.00 178.44 178.72 3ii8 h THR 596 N -0.02 1.11 -0.18 1.05 2.02 -1.81 -0.85 112.91 114.23 3ii8 h THR 596 Ca 0.39 -0.41 -0.14 0.00 0.77 0.00 0.00 66.41 67.02 3ii8 h THR 596 Cb 0.63 -0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 3ii8 h THR 596 CO -0.92 0.22 -0.44 0.03 0.37 0.00 0.00 175.52 174.77 3ii8 h ARG 597 N 1.19 0.62 -0.78 6.66 3.08 -0.81 -1.36 114.38 122.97 3ii8 h ARG 597 Ca 0.42 -0.42 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3ii8 h ARG 597 Cb 0.12 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 3ii8 h ARG 597 CO -0.16 1.04 0.41 0.00 -1.07 0.00 0.00 179.97 180.19 3ii8 h ALA 598 N 0.58 1.26 -0.09 0.04 0.00 -0.81 -0.08 119.26 120.15 3ii8 h ALA 598 Ca -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3ii8 h ALA 598 Cb 1.05 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3ii8 h ALA 598 CO 0.10 0.59 -0.04 0.28 0.00 0.00 0.00 179.25 180.18 3ii8 h VAL 599 N 1.10 1.31 -0.82 0.00 2.07 -1.15 -1.34 116.25 117.42 3ii8 h VAL 599 Ca 0.27 -1.02 0.17 0.00 0.82 0.00 0.00 66.70 66.94 3ii8 h VAL 599 Cb 0.05 1.80 -0.11 0.00 -1.52 0.00 0.00 31.29 31.51 3ii8 h VAL 599 CO -0.04 0.29 0.34 0.44 0.02 0.00 0.00 177.57 178.62 3ii8 h ASP 600 N -0.16 0.31 -0.12 0.57 5.19 -0.88 -1.17 116.42 120.16 3ii8 h ASP 600 Ca 0.02 0.12 -0.20 0.00 -0.62 0.00 0.00 57.03 56.36 3ii8 h ASP 600 Cb 0.47 0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.08 3ii8 h ASP 600 CO 0.01 0.08 -0.67 -0.09 -3.12 0.00 0.00 179.24 175.46 3ii8 h ARG 601 N 0.45 0.74 -0.25 3.56 2.43 -0.96 -0.38 114.38 119.97 3ii8 h ARG 601 Ca 0.47 -0.54 -0.17 0.00 -0.81 0.00 0.00 59.98 58.94 3ii8 h ARG 601 Cb 0.78 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.41 3ii8 h ARG 601 CO -0.45 1.16 -0.51 0.00 -1.51 0.00 0.00 179.97 178.66 3ii8 h ALA 602 N 0.71 0.63 -0.26 2.80 0.00 -0.80 -1.44 119.26 120.90 3ii8 h ALA 602 Ca -0.02 -0.50 -0.17 0.00 0.00 0.00 0.00 54.91 54.22 3ii8 h ALA 602 Cb 1.27 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3ii8 h ALA 602 CO 0.14 0.68 -0.52 -0.07 0.00 0.00 0.00 179.25 179.47 3ii8 h LEU 603 N 0.55 0.83 -1.14 0.00 3.38 -1.22 -2.72 115.31 114.98 3ii8 h LEU 603 Ca 0.02 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.49 3ii8 h LEU 603 Cb 1.08 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3ii8 h LEU 603 CO 0.11 1.19 -0.16 0.00 0.09 0.00 0.00 178.44 179.67 3ii8 h ALA 604 N 0.82 1.29 0.02 1.53 0.00 -0.94 0.64 119.26 122.62 3ii8 h ALA 604 Ca 0.02 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.45 3ii8 h ALA 604 Cb 1.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3ii8 h ALA 604 CO 0.11 0.47 -0.94 0.00 0.00 0.00 0.00 179.25 178.89 3ii8 h ARG 605 N 0.38 0.13 0.00 0.00 3.08 -1.24 -3.32 114.38 113.40 3ii8 h ARG 605 Ca 0.07 -0.17 -0.19 0.00 0.07 0.00 0.00 59.98 59.76 3ii8 h ARG 605 Cb 0.50 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.57 3ii8 h ARG 605 CO 0.03 0.98 -2.16 -1.13 -1.07 0.00 0.00 179.97 176.62 3ii8 n SER 606 N -3.56 0.24 0.00 7.04 3.41 -1.03 -4.98 113.62 114.73 3ii8 n SER 606 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3ii8 n SER 606 Cb 0.86 1.42 0.00 0.00 -0.26 0.00 0.00 64.21 66.23 3ii8 n SER 606 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ii8 n GLY 607 N 1.59 0.65 3.72 5.00 0.00 0.22 -4.90 105.19 111.47 3ii8 n GLY 607 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 3ii8 n GLY 607 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ii8 n LEU 608 N 0.00 3.92 -4.74 0.99 7.94 -1.22 -4.98 117.00 118.91 3ii8 n LEU 608 Ca 0.00 1.14 -0.41 0.00 -1.11 0.00 0.00 56.01 55.63 3ii8 n LEU 608 Cb 0.02 -1.54 -0.03 0.00 0.53 0.00 0.00 43.42 42.40 3ii8 n LEU 608 CO 0.00 -0.06 0.96 -0.13 -1.11 0.00 0.00 177.39 177.05 3ii8 s ARG 609 N -0.37 4.42 0.51 1.96 0.52 -1.26 -4.82 118.95 119.90 3ii8 s ARG 609 Ca 0.66 2.04 0.15 0.00 -0.52 0.00 0.00 55.73 58.06 3ii8 s ARG 609 Cb -0.55 -3.18 1.23 0.00 0.52 0.00 0.00 34.95 32.97 3ii8 s ARG 609 CO 0.48 -0.19 2.13 -1.00 0.02 0.00 0.00 175.30 176.74 3ii8 h PRO 610 N 4.94 0.07 -0.64 3.54 0.13 -1.91 0.19 132.00 138.32 3ii8 h PRO 610 Ca -0.45 -0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.86 3ii8 h PRO 610 Cb 1.22 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 3ii8 h PRO 610 CO 0.74 0.04 0.59 0.22 -0.23 0.00 0.00 178.00 179.37 3ii8 h ASP 611 N 0.07 0.00 0.01 1.44 3.58 -1.84 -2.31 116.42 117.37 3ii8 h ASP 611 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 3ii8 h ASP 611 Cb 0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.09 3ii8 h ASP 611 CO -0.00 0.00 -0.07 0.00 -2.88 0.00 0.00 179.24 176.29 3ii8 s LEU 613 N -2.10 2.67 0.03 0.00 2.96 -0.87 -2.19 118.68 119.18 3ii8 s LEU 613 Ca 0.31 -0.36 0.05 0.00 -0.22 0.00 0.00 54.13 53.91 3ii8 s LEU 613 Cb 0.20 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.25 3ii8 s LEU 613 CO 0.36 0.14 -0.12 -0.70 -1.32 0.00 0.00 176.35 174.72 3ii8 s GLU 614 N 0.49 2.31 -0.10 1.98 2.12 -0.56 -3.03 118.70 121.91 3ii8 s GLU 614 Ca -0.09 -0.86 0.01 0.00 0.36 0.00 0.00 54.97 54.39 3ii8 s GLU 614 Cb -0.16 -2.35 -0.02 0.00 0.26 0.00 0.00 34.13 31.86 3ii8 s GLU 614 CO 0.04 0.57 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.68 3ii8 s LEU 615 N -1.50 2.70 -0.21 2.70 1.43 0.87 -1.46 118.68 123.21 3ii8 s LEU 615 Ca 0.16 -0.29 -0.05 0.00 -1.03 0.00 0.00 54.13 52.93 3ii8 s LEU 615 Cb -0.11 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 3ii8 s LEU 615 CO 0.07 0.23 -0.00 -1.61 0.23 0.00 0.00 176.35 175.27 3ii8 s GLU 616 N -0.06 3.56 0.07 1.70 2.02 -0.39 0.14 118.70 125.74 3ii8 s GLU 616 Ca -0.03 -0.54 0.08 0.00 0.02 0.00 0.00 54.97 54.50 3ii8 s GLU 616 Cb -0.14 -3.08 -0.03 0.00 0.10 0.00 0.00 34.13 30.98 3ii8 s GLU 616 CO 0.04 -0.06 -0.21 0.42 0.02 0.00 0.00 175.26 175.47 3ii8 s ILE 617 N 1.17 1.68 0.45 -1.63 1.01 -0.08 -0.66 121.20 123.15 3ii8 s ILE 617 Ca 0.03 -1.35 -0.23 0.00 0.00 0.00 0.00 60.65 59.10 3ii8 s ILE 617 Cb -0.14 -1.49 -0.08 0.00 0.01 0.00 0.00 42.46 40.76 3ii8 s ILE 617 CO 0.01 0.09 1.15 0.28 0.00 0.00 0.00 174.94 176.47 3ii8 s THR 618 N -0.96 3.19 0.28 2.92 -1.32 -1.26 0.11 115.64 118.61 3ii8 s THR 618 Ca 0.07 0.89 0.00 0.00 -1.21 0.00 0.00 61.69 61.45 3ii8 s THR 618 Cb -0.09 -3.45 0.30 0.00 -1.51 0.00 0.00 72.50 67.75 3ii8 s THR 618 CO 0.03 -0.01 1.65 -0.08 -2.21 0.00 0.00 174.62 173.99 3ii8 h GLU 619 N 2.09 0.19 0.00 7.08 4.81 -1.41 -1.31 114.58 126.02 3ii8 h GLU 619 Ca -0.49 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3ii8 h GLU 619 Cb 1.24 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3ii8 h GLU 619 CO 0.60 0.13 0.00 0.09 -0.73 0.00 0.00 179.01 179.10 3ii8 n ASN 620 N -5.24 0.00 -2.32 1.04 3.02 -1.26 -4.61 115.26 105.89 3ii8 n ASN 620 Ca 0.20 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 3ii8 n ASN 620 Cb 0.64 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 3ii8 n ASN 620 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 3ii8 n VAL 621 N -1.21 0.00 0.00 2.41 3.14 -0.50 -3.61 118.33 118.56 3ii8 n VAL 621 Ca 0.03 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.41 3ii8 n VAL 621 Cb 0.04 -0.41 0.00 0.00 -1.06 0.00 0.00 33.84 32.41 3ii8 n VAL 621 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3ii8 n LEU 623 N 1.43 0.00 -4.43 6.55 4.77 -1.26 -4.88 117.00 119.19 3ii8 n LEU 623 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 3ii8 n LEU 623 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 3ii8 n LEU 623 CO 0.00 0.00 -0.44 0.68 -1.33 0.00 0.00 177.39 176.30 3ii8 s VAL 624 N 0.00 3.11 0.00 4.08 -7.23 -1.24 -5.26 120.40 113.87 3ii8 s VAL 624 Ca 0.00 -0.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.50 3ii8 s VAL 624 Cb 0.00 -2.27 0.00 0.00 0.56 0.00 0.00 36.38 34.67 3ii8 s VAL 624 CO 0.00 0.55 0.00 0.35 -0.31 0.00 0.00 175.10 175.69 3ii8 n THR 626 N 3.00 0.00 -0.28 5.32 -2.24 -1.26 -4.85 114.28 113.97 3ii8 n THR 626 Ca -0.18 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.57 3ii8 n THR 626 Cb 0.53 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.78 3ii8 n THR 626 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3ii8 h ASP 627 N 0.00 -1.27 -0.91 3.42 3.32 -2.05 0.19 116.42 119.12 3ii8 h ASP 627 Ca 0.00 0.26 0.12 0.00 0.02 0.00 0.00 57.03 57.43 3ii8 h ASP 627 Cb 0.00 0.65 -0.13 0.00 0.22 0.00 0.00 39.33 40.07 3ii8 h ASP 627 CO 0.00 -0.30 -0.42 1.21 -1.72 0.00 0.00 179.24 178.01 3ii8 n GLU 628 N -5.45 -0.28 -0.14 3.56 2.13 -1.26 -0.44 120.64 118.76 3ii8 n GLU 628 Ca 0.07 1.39 -0.11 0.00 0.66 0.00 0.00 57.16 59.17 3ii8 n GLU 628 Cb 0.37 -2.06 0.02 0.00 0.27 0.00 0.00 31.44 30.04 3ii8 n GLU 628 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3ii8 h VAL 629 N 0.00 1.27 0.00 6.31 2.07 -1.11 -2.57 116.25 122.22 3ii8 h VAL 629 Ca 0.25 -1.41 -0.04 0.00 0.82 0.00 0.00 66.70 66.33 3ii8 h VAL 629 Cb 0.48 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3ii8 h VAL 629 CO -0.89 0.48 -0.17 0.03 0.02 0.00 0.00 177.57 177.05 3ii8 h ARG 630 N 0.80 0.00 -0.06 1.57 3.08 0.43 -2.36 114.38 117.85 3ii8 h ARG 630 Ca 0.10 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.92 3ii8 h ARG 630 Cb 0.82 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.89 3ii8 h ARG 630 CO 0.07 0.17 -0.86 1.15 -1.07 0.00 0.00 179.97 179.43 3ii8 h THR 631 N 0.00 1.30 -0.33 2.04 2.02 -0.35 -2.19 112.91 115.40 3ii8 h THR 631 Ca -0.00 -2.10 -0.02 0.00 0.77 0.00 0.00 66.41 65.06 3ii8 h THR 631 Cb 0.37 2.25 -0.01 0.00 -1.74 0.00 0.00 68.15 69.02 3ii8 h THR 631 CO 0.02 0.65 0.14 0.00 0.37 0.00 0.00 175.52 176.70 3ii8 h LEU 633 N 0.38 0.20 -0.54 0.00 3.38 -1.51 0.27 115.31 117.49 3ii8 h LEU 633 Ca 0.11 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3ii8 h LEU 633 Cb 0.16 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3ii8 h LEU 633 CO -0.01 0.21 0.23 0.44 0.09 0.00 0.00 178.44 179.39 3ii8 h ASP 634 N 0.17 0.74 -0.11 -0.43 5.19 -1.38 -1.46 116.42 119.13 3ii8 h ASP 634 Ca 0.06 -0.16 0.04 0.00 -0.62 0.00 0.00 57.03 56.34 3ii8 h ASP 634 Cb 0.05 -0.19 -0.04 0.00 0.18 0.00 0.00 39.33 39.33 3ii8 h ASP 634 CO -0.01 0.70 -0.14 0.00 -3.12 0.00 0.00 179.24 176.67 3ii8 h ALA 635 N 1.07 -0.06 0.06 3.45 0.00 -0.69 -1.18 119.26 121.91 3ii8 h ALA 635 Ca 0.18 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ii8 h ALA 635 Cb 0.18 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ii8 h ALA 635 CO -0.02 -0.59 -0.03 -0.07 0.00 0.00 0.00 179.25 178.55 3ii8 h LEU 636 N -0.17 -0.06 -0.82 0.00 3.38 -0.24 -0.39 115.31 117.00 3ii8 h LEU 636 Ca 0.09 -0.13 0.17 0.00 0.09 0.00 0.00 57.88 58.09 3ii8 h LEU 636 Cb 0.30 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.96 3ii8 h LEU 636 CO -0.22 0.09 0.36 0.03 0.09 0.00 0.00 178.44 178.80 3ii8 h ARG 637 N -0.22 0.46 -0.66 1.13 3.08 -1.29 -1.30 114.38 115.58 3ii8 h ARG 637 Ca -0.01 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3ii8 h ARG 637 Cb 0.19 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 3ii8 h ARG 637 CO 0.01 0.30 0.39 0.00 -1.07 0.00 0.00 179.97 179.60 3ii8 h ALA 638 N 1.60 1.45 -0.00 0.04 0.00 -0.34 -2.13 119.26 119.87 3ii8 h ALA 638 Ca 0.47 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 3ii8 h ALA 638 Cb 0.76 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3ii8 h ALA 638 CO -0.43 0.47 -0.29 -0.09 0.00 0.00 0.00 179.25 178.91 3ii8 h ARG 639 N 0.90 0.00 0.00 0.00 9.65 0.01 -3.47 114.38 121.48 3ii8 h ARG 639 Ca 0.24 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.11 3ii8 h ARG 639 Cb -0.02 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.56 3ii8 h ARG 639 CO -0.04 0.30 0.00 0.41 2.80 0.00 0.00 179.97 183.43 3ii8 n GLY 640 N -0.69 0.91 3.64 2.80 0.00 -0.79 -4.70 105.19 106.35 3ii8 n GLY 640 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3ii8 n GLY 640 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ii8 s VAL 641 N -2.00 4.08 0.30 1.61 1.01 -0.86 -3.87 120.40 120.67 3ii8 s VAL 641 Ca 0.00 1.24 -0.29 0.00 0.00 0.00 0.00 61.98 62.93 3ii8 s VAL 641 Cb 0.00 -4.04 -0.10 0.00 0.00 0.00 0.00 36.38 32.24 3ii8 s VAL 641 CO 0.00 -0.37 1.28 -0.13 0.00 0.00 0.00 175.10 175.88 3ii8 s ARG 642 N 4.13 4.40 -0.06 2.72 0.52 -1.17 -3.90 118.95 125.60 3ii8 s ARG 642 Ca 0.59 2.14 0.06 0.00 -0.52 0.00 0.00 55.73 58.00 3ii8 s ARG 642 Cb -0.19 -3.11 -0.01 0.00 0.52 0.00 0.00 34.95 32.16 3ii8 s ARG 642 CO 0.23 -0.14 -0.24 -0.51 0.02 0.00 0.00 175.30 174.65 3ii8 s LEU 643 N -1.48 2.06 0.11 2.53 1.43 -1.26 -0.09 118.68 121.97 3ii8 s LEU 643 Ca 0.50 -0.50 0.06 0.00 -1.03 0.00 0.00 54.13 53.16 3ii8 s LEU 643 Cb -0.38 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 3ii8 s LEU 643 CO 0.49 0.24 -0.16 0.00 0.23 0.00 0.00 176.35 177.15 3ii8 s ALA 644 N -0.14 1.51 -0.27 4.21 0.00 0.12 -1.40 121.76 125.79 3ii8 s ALA 644 Ca -0.04 -1.21 -0.14 0.00 0.00 0.00 0.00 51.96 50.57 3ii8 s ALA 644 Cb -0.14 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 3ii8 s ALA 644 CO 0.04 0.19 0.33 -0.51 0.00 0.00 0.00 175.76 175.81 3ii8 s LEU 645 N -2.15 4.04 0.25 0.00 1.43 -0.23 -0.90 118.68 121.13 3ii8 s LEU 645 Ca 0.06 0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.38 3ii8 s LEU 645 Cb -0.08 -2.36 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 3ii8 s LEU 645 CO 0.03 -0.15 0.46 -0.62 0.23 0.00 0.00 176.35 176.30 3ii8 s ASP 646 N 1.63 6.38 -1.65 2.29 -1.08 0.30 0.62 116.67 125.17 3ii8 s ASP 646 Ca 0.13 0.48 0.00 0.00 -0.52 0.00 0.00 52.55 52.64 3ii8 s ASP 646 Cb -0.16 -2.04 0.00 0.00 -1.46 0.00 0.00 42.92 39.26 3ii8 s ASP 646 CO 0.10 -0.13 0.00 0.47 0.52 0.00 0.00 175.17 176.13 3ii8 n ASP 647 N -0.95 -5.16 -4.69 -0.34 8.00 -1.18 -1.09 116.55 111.14 3ii8 n ASP 647 Ca -0.04 0.16 -0.44 0.00 0.71 0.00 0.00 54.79 55.18 3ii8 n ASP 647 Cb 0.54 -4.23 -0.03 0.00 -0.02 0.00 0.00 41.12 37.39 3ii8 n ASP 647 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3ii8 n PHE 648 N -3.43 2.43 0.00 1.24 7.35 0.79 -1.61 117.46 124.24 3ii8 n PHE 648 Ca -0.20 0.29 0.00 0.00 -0.76 0.00 0.00 57.45 56.79 3ii8 n PHE 648 Cb 0.63 -2.54 0.00 0.00 0.35 0.00 0.00 39.48 37.92 3ii8 n PHE 648 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ii8 n GLY 649 N 2.74 1.59 0.02 7.13 0.00 -1.26 -2.11 105.19 113.30 3ii8 n GLY 649 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.26 3ii8 n GLY 649 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ii8 n THR 650 N -1.79 0.09 0.00 2.61 -2.24 -0.63 -4.96 114.28 107.35 3ii8 n THR 650 Ca 0.00 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3ii8 n THR 650 Cb 0.00 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 3ii8 n THR 650 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ii8 n GLY 651 N 1.41 3.58 2.94 3.38 0.00 -1.26 -5.04 105.19 110.21 3ii8 n GLY 651 Ca 0.03 -1.22 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 3ii8 n GLY 651 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ii8 s TYR 652 N 4.21 -0.06 0.02 1.61 2.02 -1.26 -5.01 117.35 118.88 3ii8 s TYR 652 Ca 0.00 0.15 0.02 0.00 -0.37 0.00 0.00 57.07 56.87 3ii8 s TYR 652 Cb 0.00 0.02 -0.02 0.00 -0.40 0.00 0.00 41.96 41.56 3ii8 s TYR 652 CO 0.00 -0.04 -0.07 -1.12 -1.57 0.00 0.00 175.55 172.75 3ii8 s SER 653 N 0.00 0.81 -0.23 2.29 0.01 -1.26 -4.48 113.70 110.84 3ii8 s SER 653 Ca -0.00 -0.38 -0.10 0.00 1.31 0.00 0.00 55.95 56.78 3ii8 s SER 653 Cb -0.01 -0.01 -0.05 0.00 0.21 0.00 0.00 66.02 66.16 3ii8 s SER 653 CO 0.00 -0.09 0.15 -0.55 0.41 0.00 0.00 173.24 173.16 3ii8 s SER 654 N -1.02 6.11 0.28 2.44 0.15 -1.26 -5.01 113.70 115.39 3ii8 s SER 654 Ca -0.05 0.13 -0.02 0.00 0.70 0.00 0.00 55.95 56.71 3ii8 s SER 654 Cb -0.07 -2.10 0.38 0.00 -1.71 0.00 0.00 66.02 62.53 3ii8 s SER 654 CO 0.00 0.09 1.83 -0.07 1.20 0.00 0.00 173.24 176.29 3ii8 h LEU 655 N 7.33 0.81 -0.60 3.45 4.07 -2.00 -1.02 115.31 127.34 3ii8 h LEU 655 Ca -0.39 -0.14 -0.11 0.00 0.08 0.00 0.00 57.88 57.33 3ii8 h LEU 655 Cb 1.17 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.68 3ii8 h LEU 655 CO 0.68 0.77 -0.11 0.77 -1.08 0.00 0.00 178.44 179.47 3ii8 h SER 656 N 0.84 0.99 0.43 -0.43 4.64 -1.98 -1.58 113.55 116.47 3ii8 h SER 656 Ca 0.19 -0.32 -0.02 0.00 -0.47 0.00 0.00 61.79 61.16 3ii8 h SER 656 Cb 0.27 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3ii8 h SER 656 CO -0.01 1.10 -0.24 1.88 -0.87 0.00 0.00 176.83 178.70 3ii8 h TYR 657 N 0.89 -0.63 -0.99 4.77 0.05 -1.87 -0.98 116.97 118.19 3ii8 h TYR 657 Ca 0.14 -0.01 0.27 0.00 0.05 0.00 0.00 58.73 59.18 3ii8 h TYR 657 Cb 0.66 0.22 -0.19 0.00 1.01 0.00 0.00 36.73 38.44 3ii8 h TYR 657 CO 0.04 -0.37 0.02 1.28 -1.05 0.00 0.00 178.16 178.09 3ii8 n LEU 658 N -3.79 -0.12 0.27 3.88 4.77 -0.42 0.31 117.00 121.90 3ii8 n LEU 658 Ca -0.08 1.69 0.16 0.00 -0.03 0.00 0.00 56.01 57.75 3ii8 n LEU 658 Cb 0.25 -0.62 0.61 0.00 -2.33 0.00 0.00 43.42 41.34 3ii8 n LEU 658 CO 0.18 -1.71 0.96 -1.28 -1.33 0.00 0.00 177.39 174.21 3ii8 h SER 659 N 0.00 0.00 0.00 -1.43 0.87 -1.20 -3.34 113.55 108.45 3ii8 h SER 659 Ca 0.60 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.82 3ii8 h SER 659 Cb 1.24 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.15 3ii8 h SER 659 CO -0.93 0.02 -2.24 1.67 -0.53 0.00 0.00 176.83 174.81 3ii8 n GLN 660 N -3.12 0.52 -1.45 2.24 7.27 0.93 -5.03 117.38 118.75 3ii8 n GLN 660 Ca 0.01 0.15 -0.32 0.00 0.07 0.00 0.00 57.00 56.91 3ii8 n GLN 660 Cb 0.34 -1.40 0.08 0.00 2.41 0.00 0.00 30.24 31.67 3ii8 n GLN 660 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3ii8 s LEU 661 N -6.55 3.20 -0.17 1.69 1.43 0.76 -4.91 118.68 114.13 3ii8 s LEU 661 Ca -0.30 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 54.79 3ii8 s LEU 661 Cb 0.09 -4.55 0.15 0.00 0.03 0.00 0.00 46.19 41.92 3ii8 s LEU 661 CO 0.47 -1.97 1.74 -0.81 0.23 0.00 0.00 176.35 176.00 3ii8 n PRO 662 N -3.01 1.44 -2.80 1.29 -0.04 -1.26 -4.87 135.00 125.76 3ii8 n PRO 662 Ca 0.10 -0.93 -0.42 0.00 -0.04 0.00 0.00 63.50 62.21 3ii8 n PRO 662 Cb 0.52 -1.36 -0.03 0.00 -0.04 0.00 0.00 33.50 32.58 3ii8 n PRO 662 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3ii8 s PHE 663 N -1.06 3.22 -0.24 0.54 0.08 -1.26 -4.52 117.98 114.74 3ii8 s PHE 663 Ca 0.18 1.08 0.18 0.00 0.12 0.00 0.00 56.93 58.49 3ii8 s PHE 663 Cb 0.15 -3.34 0.17 0.00 -0.57 0.00 0.00 43.02 39.43 3ii8 s PHE 663 CO 0.01 -0.59 1.51 1.12 -0.10 0.00 0.00 175.22 177.17 3ii8 h HIS 664 N 7.94 0.00 -3.89 0.36 2.07 -1.57 -3.48 115.15 116.58 3ii8 h HIS 664 Ca -0.22 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.19 3ii8 h HIS 664 Cb 1.08 0.00 -0.11 0.00 2.57 0.00 0.00 27.41 30.95 3ii8 h HIS 664 CO 0.79 0.33 -0.26 0.20 -3.07 0.00 0.00 177.93 175.92 3ii8 s GLY 665 N -4.38 0.71 0.07 6.13 0.00 -1.20 -0.98 107.32 107.67 3ii8 s GLY 665 Ca 0.05 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.73 3ii8 s GLY 665 CO 0.72 -0.82 -0.05 0.48 0.00 0.00 0.00 173.10 173.43 3ii8 s LEU 666 N -3.04 2.47 -0.25 0.66 0.05 0.15 -1.06 118.68 117.65 3ii8 s LEU 666 Ca 0.25 -0.94 0.01 0.00 0.05 0.00 0.00 54.13 53.50 3ii8 s LEU 666 Cb 0.02 0.05 0.05 0.00 -2.05 0.00 0.00 46.19 44.25 3ii8 s LEU 666 CO 0.08 -0.50 -0.10 -0.54 -0.55 0.00 0.00 176.35 174.74 3ii8 s LYS 667 N -3.58 2.44 0.05 1.48 1.02 0.20 -1.14 119.74 120.21 3ii8 s LYS 667 Ca 0.07 -1.22 -0.30 0.00 0.02 0.00 0.00 55.97 54.53 3ii8 s LYS 667 Cb 0.05 -2.90 -0.08 0.00 -0.52 0.00 0.00 37.83 34.38 3ii8 s LYS 667 CO -0.06 -0.51 1.71 0.42 -0.92 0.00 0.00 175.35 175.98 3ii8 s ILE 668 N 1.17 3.08 0.25 2.17 1.01 0.47 -0.15 121.20 129.20 3ii8 s ILE 668 Ca -0.05 0.43 -0.31 0.00 0.00 0.00 0.00 60.65 60.71 3ii8 s ILE 668 Cb -0.19 -3.27 -0.13 0.00 0.01 0.00 0.00 42.46 38.88 3ii8 s ILE 668 CO -0.05 -0.01 1.38 -0.67 0.00 0.00 0.00 174.94 175.58 3ii8 n ASP 669 N 6.09 2.68 -0.26 3.58 2.03 -0.89 -2.09 116.55 127.68 3ii8 n ASP 669 Ca 0.17 1.15 0.29 0.00 0.52 0.00 0.00 54.79 56.91 3ii8 n ASP 669 Cb 0.41 -1.42 0.67 0.00 -0.72 0.00 0.00 41.12 40.05 3ii8 n ASP 669 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 3ii8 h GLN 670 N 3.97 0.12 0.00 -0.67 3.07 -1.92 -1.92 115.11 117.76 3ii8 h GLN 670 Ca -0.45 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.27 3ii8 h GLN 670 Cb 1.28 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.81 3ii8 h GLN 670 CO 0.74 0.08 -0.09 0.66 0.09 0.00 0.00 178.83 180.31 3ii8 h SER 671 N 0.12 0.00 0.19 0.06 4.64 -1.90 -2.31 113.55 114.35 3ii8 h SER 671 Ca 0.51 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.48 3ii8 h SER 671 Cb 1.80 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.87 3ii8 h SER 671 CO -0.08 0.09 -1.90 -0.26 -0.87 0.00 0.00 176.83 173.80 3ii8 h PHE 672 N 0.00 0.48 -0.27 4.77 0.04 -1.71 -3.41 116.94 116.84 3ii8 h PHE 672 Ca -0.00 -0.35 -0.05 0.00 2.80 0.00 0.00 57.97 60.37 3ii8 h PHE 672 Cb 0.20 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 3ii8 h PHE 672 CO 0.00 1.67 -0.02 0.28 -0.60 0.00 0.00 178.31 179.64 3ii8 h VAL 673 N 0.07 1.27 0.00 -0.55 2.07 -1.37 -2.90 116.25 114.84 3ii8 h VAL 673 Ca -0.39 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.16 3ii8 h VAL 673 Cb 2.04 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 3ii8 h VAL 673 CO 0.11 0.31 0.00 0.54 0.02 0.00 0.00 177.57 178.55 3ii8 n ARG 674 N -4.58 0.31 0.00 1.57 1.74 -0.90 -2.01 116.66 112.79 3ii8 n ARG 674 Ca -0.03 0.08 0.10 0.00 -0.77 0.00 0.00 57.85 57.23 3ii8 n ARG 674 Cb 0.27 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.28 3ii8 n ARG 674 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ii8 n LYS 675 N -1.15 1.74 -3.97 5.56 5.02 -1.09 -5.00 118.16 119.26 3ii8 n LYS 675 Ca 0.09 -1.57 -0.21 0.00 -2.02 0.00 0.00 58.31 54.59 3ii8 n LYS 675 Cb 0.08 -1.38 -0.02 0.00 -0.02 0.00 0.00 35.03 33.69 3ii8 n LYS 675 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3ii8 s ILE 676 N -1.75 5.16 0.23 -0.18 -4.36 -0.85 -1.26 121.20 118.20 3ii8 s ILE 676 Ca 0.22 -1.03 0.36 0.00 -0.26 0.00 0.00 60.65 59.95 3ii8 s ILE 676 Cb 0.16 -3.81 0.40 0.00 1.25 0.00 0.00 42.46 40.47 3ii8 s ILE 676 CO 0.29 -0.33 2.08 1.55 0.24 0.00 0.00 174.94 178.77 3ii8 h PRO 677 N 1.19 0.00 -0.79 0.37 0.13 -1.90 -3.43 132.00 127.57 3ii8 h PRO 677 Ca -0.52 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.72 3ii8 h PRO 677 Cb 1.23 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.24 3ii8 h PRO 677 CO 0.61 0.00 -0.35 0.00 -0.23 0.00 0.00 178.00 178.03 3ii8 n ALA 678 N -2.07 -0.20 -2.61 -0.56 0.00 -1.18 -3.95 120.51 109.94 3ii8 n ALA 678 Ca -0.00 0.76 -0.42 0.00 0.00 0.00 0.00 53.44 53.78 3ii8 n ALA 678 Cb 0.23 -0.29 -0.05 0.00 0.00 0.00 0.00 19.45 19.33 3ii8 n ALA 678 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3ii8 s HIS 679 N -5.66 3.21 0.38 0.00 3.76 -0.39 -4.96 115.29 111.64 3ii8 s HIS 679 Ca -0.11 0.76 0.10 0.00 -0.15 0.00 0.00 55.06 55.67 3ii8 s HIS 679 Cb 0.14 -3.15 0.77 0.00 1.11 0.00 0.00 32.58 31.45 3ii8 s HIS 679 CO 0.55 -0.54 1.89 -1.35 -0.85 0.00 0.00 174.74 174.44 3ii8 h PRO 680 N 8.12 0.19 0.69 8.40 0.11 -1.88 -2.27 132.00 145.37 3ii8 h PRO 680 Ca -0.25 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.78 3ii8 h PRO 680 Cb 1.10 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.20 3ii8 h PRO 680 CO 0.86 0.38 -0.33 1.03 -0.21 0.00 0.00 178.00 179.73 3ii8 h SER 681 N 0.18 -0.78 -0.19 -2.05 0.87 -1.92 -0.68 113.55 108.97 3ii8 h SER 681 Ca 0.03 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.65 3ii8 h SER 681 Cb 0.44 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 3ii8 h SER 681 CO 0.03 -0.42 0.14 -0.33 -0.53 0.00 0.00 176.83 175.71 3ii8 h GLU 682 N -1.18 0.01 -0.14 2.24 3.07 -1.89 -0.85 114.58 115.84 3ii8 h GLU 682 Ca -0.09 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.75 3ii8 h GLU 682 Cb 0.73 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 3ii8 h GLU 682 CO 0.16 0.01 0.04 1.15 -1.40 0.00 0.00 179.01 178.96 3ii8 h THR 683 N 0.01 1.20 -0.49 1.13 2.02 -1.29 -1.26 112.91 114.23 3ii8 h THR 683 Ca 0.09 -0.62 0.03 0.00 0.77 0.00 0.00 66.41 66.68 3ii8 h THR 683 Cb 0.35 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 3ii8 h THR 683 CO -0.00 0.18 0.28 -0.61 0.37 0.00 0.00 175.52 175.75 3ii8 h GLN 684 N 0.04 0.55 -0.13 6.66 5.75 -0.37 0.11 115.11 127.72 3ii8 h GLN 684 Ca 0.04 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.55 3ii8 h GLN 684 Cb 0.25 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.63 3ii8 h GLN 684 CO 0.00 0.36 -0.17 0.82 -2.65 0.00 0.00 178.83 177.20 3ii8 h ILE 685 N 0.56 0.56 -0.83 2.39 2.04 -1.14 0.16 117.51 121.26 3ii8 h ILE 685 Ca 0.20 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.12 3ii8 h ILE 685 Cb 0.03 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 36.61 3ii8 h ILE 685 CO -0.10 0.00 0.51 0.58 0.00 0.00 0.00 178.15 179.14 3ii8 h VAL 686 N -0.21 1.01 -0.45 1.67 2.07 -0.63 -0.97 116.25 118.75 3ii8 h VAL 686 Ca 0.10 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 3ii8 h VAL 686 Cb 0.35 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 3ii8 h VAL 686 CO -0.25 0.17 0.14 0.74 0.02 0.00 0.00 177.57 178.38 3ii8 h THR 687 N 0.91 1.22 0.05 2.57 2.02 -0.37 -1.12 112.91 118.19 3ii8 h THR 687 Ca 0.37 -0.74 0.01 0.00 0.77 0.00 0.00 66.41 66.81 3ii8 h THR 687 Cb 0.21 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3ii8 h THR 687 CO -0.19 0.27 -0.07 0.74 0.37 0.00 0.00 175.52 176.64 3ii8 h THR 688 N 0.59 0.82 -0.91 3.16 2.02 -0.39 -1.42 112.91 116.77 3ii8 h THR 688 Ca 0.14 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.34 3ii8 h THR 688 Cb 0.27 0.82 -0.05 0.00 -1.74 0.00 0.00 68.15 67.46 3ii8 h THR 688 CO -0.00 0.00 0.60 0.40 0.37 0.00 0.00 175.52 176.88 3ii8 h ILE 689 N -0.15 1.20 -0.82 3.11 2.04 -0.99 0.30 117.51 122.21 3ii8 h ILE 689 Ca 0.01 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 3ii8 h ILE 689 Cb 0.16 -0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.10 3ii8 h ILE 689 CO -0.04 0.22 0.42 -0.07 0.00 0.00 0.00 178.15 178.68 3ii8 h LEU 690 N 1.20 1.04 -0.47 1.44 3.38 -1.00 -2.10 115.31 118.80 3ii8 h LEU 690 Ca 0.35 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 58.11 3ii8 h LEU 690 Cb -0.09 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 3ii8 h LEU 690 CO -0.09 0.86 -0.09 0.00 0.09 0.00 0.00 178.44 179.21 3ii8 h ALA 691 N 1.30 0.65 0.04 1.53 0.00 -0.41 -1.67 119.26 120.70 3ii8 h ALA 691 Ca 0.28 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3ii8 h ALA 691 Cb 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3ii8 h ALA 691 CO -0.04 0.53 -0.19 1.25 0.00 0.00 0.00 179.25 180.79 3ii8 h LEU 692 N 0.74 -0.56 -0.15 0.00 5.85 -0.69 -1.21 115.31 119.28 3ii8 h LEU 692 Ca 0.12 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3ii8 h LEU 692 Cb 0.63 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 3ii8 h LEU 692 CO 0.04 -0.27 0.10 0.00 -0.34 0.00 0.00 178.44 177.98 3ii8 h ALA 693 N 0.53 0.19 -0.50 1.25 0.00 -1.39 -1.47 119.26 117.87 3ii8 h ALA 693 Ca 0.05 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3ii8 h ALA 693 Cb 0.39 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3ii8 h ALA 693 CO -0.15 -0.32 0.30 -0.09 0.00 0.00 0.00 179.25 178.99 3ii8 h ARG 694 N 0.21 0.59 -0.90 0.00 2.43 -1.28 0.13 114.38 115.56 3ii8 h ARG 694 Ca 0.06 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.26 3ii8 h ARG 694 Cb -0.02 -0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 29.33 3ii8 h ARG 694 CO -0.01 0.39 0.56 0.78 -1.51 0.00 0.00 179.97 180.18 3ii8 h GLY 695 N 0.61 1.37 -1.18 2.80 0.00 -0.85 -1.98 103.07 103.83 3ii8 h GLY 695 Ca 0.20 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3ii8 h GLY 695 CO -0.08 0.26 0.00 1.04 0.00 0.00 0.00 176.54 177.76 3ii8 n LEU 696 N -4.61 2.06 -2.36 3.11 4.77 -0.59 -5.10 117.00 114.29 3ii8 n LEU 696 Ca 0.14 -0.89 -0.02 0.00 -0.03 0.00 0.00 56.01 55.21 3ii8 n LEU 696 Cb 0.20 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3ii8 n LEU 696 CO 0.31 0.44 -0.44 0.61 -1.33 0.00 0.00 177.39 176.98 3ii8 n GLY 697 N 1.20 -4.32 3.36 -0.72 0.00 0.43 -5.01 105.19 100.14 3ii8 n GLY 697 Ca 0.16 0.75 -0.25 0.00 0.00 0.00 0.00 46.02 46.69 3ii8 n GLY 697 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ii8 s GLU 699 N -1.00 1.35 -0.07 1.61 2.02 -0.15 -5.01 118.70 117.44 3ii8 s GLU 699 Ca -0.10 -1.41 0.02 0.00 0.02 0.00 0.00 54.97 53.50 3ii8 s GLU 699 Cb 0.01 -1.58 0.01 0.00 0.10 0.00 0.00 34.13 32.67 3ii8 s GLU 699 CO 0.59 0.34 -0.13 0.08 0.02 0.00 0.00 175.26 176.17 3ii8 s VAL 700 N -1.68 1.21 -0.25 2.63 1.01 -1.26 -0.68 120.40 121.38 3ii8 s VAL 700 Ca 0.16 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 3ii8 s VAL 700 Cb -0.08 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 3ii8 s VAL 700 CO 0.07 0.37 0.04 -0.69 0.00 0.00 0.00 175.10 174.90 3ii8 s VAL 701 N 0.74 3.98 -0.44 2.92 1.01 -0.29 -1.83 120.40 126.48 3ii8 s VAL 701 Ca -0.13 -0.35 -0.27 0.00 0.00 0.00 0.00 61.98 61.23 3ii8 s VAL 701 Cb -0.16 -2.88 0.03 0.00 0.00 0.00 0.00 36.38 33.37 3ii8 s VAL 701 CO 0.03 0.32 1.04 0.00 0.00 0.00 0.00 175.10 176.49 3ii8 s ALA 702 N 1.56 3.25 0.26 5.51 0.00 -0.49 -0.40 121.76 131.44 3ii8 s ALA 702 Ca 0.06 -0.54 -0.16 0.00 0.00 0.00 0.00 51.96 51.32 3ii8 s ALA 702 Cb -0.15 -3.75 -0.08 0.00 0.00 0.00 0.00 23.12 19.14 3ii8 s ALA 702 CO 0.01 -2.04 0.70 -1.21 0.00 0.00 0.00 175.76 173.22 3ii8 s GLU 703 N 4.03 4.07 0.00 0.00 2.02 -0.89 -0.73 118.70 127.20 3ii8 s GLU 703 Ca 0.43 0.69 0.00 0.00 0.02 0.00 0.00 54.97 56.11 3ii8 s GLU 703 Cb -0.09 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.48 3ii8 s GLU 703 CO 0.27 0.29 0.00 0.41 0.02 0.00 0.00 175.26 176.25 3ii8 n GLY 704 N 0.17 0.46 3.65 -1.39 0.00 -0.03 -3.62 105.19 104.42 3ii8 n GLY 704 Ca 0.00 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 3ii8 n GLY 704 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ii8 s ILE 705 N -2.00 3.57 -0.09 -0.61 1.01 -0.93 -4.12 121.20 118.03 3ii8 s ILE 705 Ca 0.00 0.67 0.06 0.00 0.00 0.00 0.00 60.65 61.38 3ii8 s ILE 705 Cb 0.00 -3.50 -0.08 0.00 0.01 0.00 0.00 42.46 38.89 3ii8 s ILE 705 CO 0.00 -0.13 0.17 -0.62 0.00 0.00 0.00 174.94 174.35 3ii8 n GLU 706 N 7.41 1.63 -4.14 2.79 1.02 -1.26 -1.71 120.64 126.37 3ii8 n GLU 706 Ca 0.19 -0.04 -0.11 0.00 -0.02 0.00 0.00 57.16 57.18 3ii8 n GLU 706 Cb 0.44 -1.03 -0.10 0.00 -0.02 0.00 0.00 31.44 30.72 3ii8 n GLU 706 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3ii8 s THR 707 N -2.16 0.65 0.26 2.62 -4.23 -1.26 -4.44 115.64 107.08 3ii8 s THR 707 Ca -0.01 -1.74 -0.02 0.00 -1.18 0.00 0.00 61.69 58.74 3ii8 s THR 707 Cb 0.04 -1.44 0.25 0.00 1.34 0.00 0.00 72.50 72.69 3ii8 s THR 707 CO 0.25 -0.76 1.84 0.00 -0.54 0.00 0.00 174.62 175.40 3ii8 h ALA 708 N 3.31 1.32 -0.91 3.99 0.00 -1.99 -2.46 119.26 122.52 3ii8 h ALA 708 Ca -0.35 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3ii8 h ALA 708 Cb 1.17 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3ii8 h ALA 708 CO 0.59 0.24 0.52 0.37 0.00 0.00 0.00 179.25 180.97 3ii8 h GLN 709 N 0.96 1.26 -0.36 0.00 4.15 -1.96 -0.63 115.11 118.52 3ii8 h GLN 709 Ca 0.43 -0.13 -0.07 0.00 0.77 0.00 0.00 58.65 59.64 3ii8 h GLN 709 Cb 0.33 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 3ii8 h GLN 709 CO -0.22 0.90 -0.06 1.96 -1.93 0.00 0.00 178.83 179.48 3ii8 h GLN 710 N 1.27 0.68 -0.74 1.69 4.20 -1.75 -0.37 115.11 120.08 3ii8 h GLN 710 Ca 0.32 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3ii8 h GLN 710 Cb -0.01 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 3ii8 h GLN 710 CO -0.06 0.82 0.41 -0.92 -0.67 0.00 0.00 178.83 178.41 3ii8 h TYR 711 N 0.48 1.01 -0.15 2.96 3.20 -1.13 -1.58 116.97 121.77 3ii8 h TYR 711 Ca 0.10 -0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.79 3ii8 h TYR 711 Cb 0.55 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3ii8 h TYR 711 CO 0.05 0.71 -0.56 0.00 -1.64 0.00 0.00 178.16 176.71 3ii8 h ALA 712 N 1.21 0.75 -0.75 1.82 0.00 -1.00 -0.15 119.26 121.14 3ii8 h ALA 712 Ca 0.26 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3ii8 h ALA 712 Cb 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3ii8 h ALA 712 CO -0.04 0.70 0.35 0.35 0.00 0.00 0.00 179.25 180.60 3ii8 h PHE 713 N 0.35 1.08 0.12 0.00 3.57 -0.80 -0.94 116.94 120.33 3ii8 h PHE 713 Ca 0.00 -0.05 -0.16 0.00 3.53 0.00 0.00 57.97 61.29 3ii8 h PHE 713 Cb 1.09 -0.33 0.02 0.00 2.79 0.00 0.00 35.95 39.51 3ii8 h PHE 713 CO 0.04 0.79 -0.72 -0.07 -2.23 0.00 0.00 178.31 176.12 3ii8 h LEU 714 N 1.07 0.42 -0.36 0.59 3.38 -1.10 -3.07 115.31 116.24 3ii8 h LEU 714 Ca 0.26 -0.95 0.06 0.00 0.09 0.00 0.00 57.88 57.33 3ii8 h LEU 714 Cb 0.13 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3ii8 h LEU 714 CO -0.03 1.34 0.05 -0.09 0.09 0.00 0.00 178.44 179.81 3ii8 h ARG 715 N -0.42 0.17 0.00 1.13 2.43 -0.99 -1.65 114.38 115.04 3ii8 h ARG 715 Ca -0.12 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 3ii8 h ARG 715 Cb 1.56 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 31.07 3ii8 h ARG 715 CO 0.14 0.11 -0.04 -0.44 -1.51 0.00 0.00 179.97 178.23 3ii8 h ASP 716 N 0.17 0.00 -0.61 -3.80 3.32 -1.24 -2.23 116.42 112.03 3ii8 h ASP 716 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3ii8 h ASP 716 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3ii8 h ASP 716 CO -0.24 0.04 0.00 0.54 -1.72 0.00 0.00 179.24 177.85 3ii8 n ARG 717 N -3.28 4.15 -0.93 3.56 1.74 -0.69 -4.94 116.66 116.26 3ii8 n ARG 717 Ca -0.02 -2.99 0.00 0.00 -0.77 0.00 0.00 57.85 54.07 3ii8 n ARG 717 Cb 0.19 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 29.60 3ii8 n ARG 717 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ii8 n GLY 718 N 0.88 0.55 3.64 -0.13 0.00 -0.84 -5.00 105.19 104.30 3ii8 n GLY 718 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 3ii8 n GLY 718 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ii8 h GLU 720 N 10.64 0.59 -6.09 0.00 5.08 -1.88 -3.40 114.58 119.51 3ii8 h GLU 720 Ca -0.38 -0.38 -0.55 0.00 -1.00 0.00 0.00 59.36 57.05 3ii8 h GLU 720 Cb 1.18 0.05 -0.22 0.00 0.50 0.00 0.00 28.75 30.26 3ii8 h GLU 720 CO 0.97 1.00 -0.82 -0.06 -1.00 0.00 0.00 179.01 179.10 3ii8 s PHE 721 N -4.04 1.75 0.08 4.33 0.08 -0.76 -0.33 117.98 119.09 3ii8 s PHE 721 Ca -0.13 -0.42 0.01 0.00 0.12 0.00 0.00 56.93 56.52 3ii8 s PHE 721 Cb 0.07 -0.97 -0.04 0.00 -0.57 0.00 0.00 43.02 41.51 3ii8 s PHE 721 CO 0.82 0.18 -0.06 0.20 -0.10 0.00 0.00 175.22 176.27 3ii8 s GLY 722 N -1.83 0.68 -0.19 4.36 0.00 0.14 -1.40 107.32 109.09 3ii8 s GLY 722 Ca 0.06 -1.28 -0.14 0.00 0.00 0.00 0.00 44.72 43.36 3ii8 s GLY 722 CO 0.04 -1.38 0.48 1.62 0.00 0.00 0.00 173.10 173.86 3ii8 s GLN 723 N -3.69 0.52 0.00 2.90 0.74 0.09 -0.07 119.66 120.14 3ii8 s GLN 723 Ca 0.09 0.77 0.00 0.00 0.05 0.00 0.00 55.36 56.28 3ii8 s GLN 723 Cb 0.05 0.15 0.00 0.00 1.10 0.00 0.00 33.01 34.31 3ii8 s GLN 723 CO -0.06 -0.11 0.00 0.41 -0.55 0.00 0.00 175.29 174.99 3ii8 n GLY 724 N 3.51 2.16 0.38 2.59 0.00 -1.26 -0.85 105.19 111.72 3ii8 n GLY 724 Ca -0.18 -0.98 0.20 0.00 0.00 0.00 0.00 46.02 45.06 3ii8 n GLY 724 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3ii8 h ASN 725 N 0.00 0.00 0.00 1.61 2.35 -1.81 -1.77 115.58 115.97 3ii8 h ASN 725 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ii8 h ASN 725 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3ii8 h ASN 725 CO 0.00 0.00 0.00 -0.11 -1.65 0.00 0.00 177.43 175.67 3ii8 n LEU 726 N -3.73 0.00 -4.77 1.61 7.94 -0.70 -4.38 117.00 112.98 3ii8 n LEU 726 Ca 0.07 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.60 3ii8 n LEU 726 Cb 0.58 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.47 3ii8 n LEU 726 CO 0.27 0.00 -0.02 -0.55 -1.11 0.00 0.00 177.39 175.98 3ii8 s SER 728 N -1.91 6.48 0.86 1.96 0.15 -0.66 -5.06 113.70 115.52 3ii8 s SER 728 Ca 0.01 0.57 -0.12 0.00 0.70 0.00 0.00 55.95 57.11 3ii8 s SER 728 Cb 0.01 -2.17 0.11 0.00 -1.71 0.00 0.00 66.02 62.25 3ii8 s SER 728 CO 0.01 0.18 1.10 0.42 1.20 0.00 0.00 173.24 176.15 3ii8 s THR 729 N 0.02 2.70 0.28 6.45 -4.23 -1.26 -4.36 115.64 115.23 3ii8 s THR 729 Ca 0.17 0.23 -0.29 0.00 -1.18 0.00 0.00 61.69 60.61 3ii8 s THR 729 Cb -0.13 -2.86 -0.13 0.00 1.34 0.00 0.00 72.50 70.71 3ii8 s THR 729 CO 0.05 -0.30 1.28 -2.65 -0.54 0.00 0.00 174.62 172.47 3ii8 n PRO 730 N -3.70 1.92 -4.57 3.99 -0.02 -1.26 -4.67 135.00 126.68 3ii8 n PRO 730 Ca 0.07 0.68 -0.27 0.00 -2.02 0.00 0.00 63.50 61.95 3ii8 n PRO 730 Cb 0.56 -2.25 -0.14 0.00 -0.02 0.00 0.00 33.50 31.66 3ii8 n PRO 730 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3ii8 s GLN 731 N -1.18 1.43 0.70 -0.52 -1.52 -0.00 -4.83 119.66 113.74 3ii8 s GLN 731 Ca 0.62 -1.12 -0.16 0.00 -1.95 0.00 0.00 55.36 52.75 3ii8 s GLN 731 Cb -0.64 -1.68 0.02 0.00 -0.22 0.00 0.00 33.01 30.49 3ii8 s GLN 731 CO 0.56 0.42 1.23 0.00 -0.25 0.00 0.00 175.29 177.25 3ii8 s ALA 732 N -0.94 2.22 0.24 6.09 0.00 -1.26 -0.06 121.76 128.05 3ii8 s ALA 732 Ca 0.10 1.00 -0.11 0.00 0.00 0.00 0.00 51.96 52.94 3ii8 s ALA 732 Cb -0.10 -3.50 0.34 0.00 0.00 0.00 0.00 23.12 19.87 3ii8 s ALA 732 CO 0.03 -1.75 1.59 0.00 0.00 0.00 0.00 175.76 175.64 3ii8 h ALA 733 N 0.04 0.53 -0.33 0.00 0.00 -1.96 0.41 119.26 117.94 3ii8 h ALA 733 Ca -0.49 0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3ii8 h ALA 733 Cb 1.31 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 3ii8 h ALA 733 CO 0.51 -0.41 0.09 -0.44 0.00 0.00 0.00 179.25 179.00 3ii8 h ASP 734 N -0.00 0.49 -0.71 0.00 5.19 -1.97 0.26 116.42 119.68 3ii8 h ASP 734 Ca 0.39 -0.22 0.01 0.00 -0.62 0.00 0.00 57.03 56.59 3ii8 h ASP 734 Cb 0.59 -0.13 -0.04 0.00 0.18 0.00 0.00 39.33 39.94 3ii8 h ASP 734 CO -0.84 0.58 0.47 0.00 -3.12 0.00 0.00 179.24 176.34 3ii8 h ALA 735 N 0.93 0.91 0.27 3.45 0.00 -1.76 -0.01 119.26 123.05 3ii8 h ALA 735 Ca 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3ii8 h ALA 735 Cb 0.28 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ii8 h ALA 735 CO -0.00 0.30 -0.13 0.35 0.00 0.00 0.00 179.25 179.77 3ii8 h PHE 736 N 0.95 -0.34 -0.98 0.00 3.57 -0.71 -2.47 116.94 116.95 3ii8 h PHE 736 Ca 0.27 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.96 3ii8 h PHE 736 Cb -0.09 0.11 -0.09 0.00 2.79 0.00 0.00 35.95 38.67 3ii8 h PHE 736 CO -0.03 -0.19 0.62 0.00 -2.23 0.00 0.00 178.31 176.48 3ii8 h ALA 737 N 0.33 1.87 -0.04 2.41 0.00 -0.13 0.18 119.26 123.88 3ii8 h ALA 737 Ca -0.04 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3ii8 h ALA 737 Cb 0.30 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3ii8 h ALA 737 CO 0.06 -0.23 -0.53 0.77 0.00 0.00 0.00 179.25 179.33 3ii8 h SER 738 N 0.63 0.12 -0.18 0.00 0.02 -0.81 -1.92 113.55 111.42 3ii8 h SER 738 Ca 0.55 -0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.47 3ii8 h SER 738 Cb 1.03 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.51 3ii8 h SER 738 CO -0.32 0.63 0.00 -0.07 -1.14 0.00 0.00 176.83 175.93 3ii8 h LEU 739 N 0.09 -0.07 -1.33 5.07 3.38 -0.51 -0.91 115.31 121.02 3ii8 h LEU 739 Ca -0.00 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3ii8 h LEU 739 Cb 0.96 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 3ii8 h LEU 739 CO 0.07 -0.01 0.48 -0.07 0.09 0.00 0.00 178.44 179.00 3ii8 h LEU 740 N 0.06 0.74 -0.20 1.67 3.38 -1.09 -1.97 115.31 117.91 3ii8 h LEU 740 Ca 0.08 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 3ii8 h LEU 740 Cb 0.10 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3ii8 h LEU 740 CO -0.14 0.51 -0.21 0.44 0.09 0.00 0.00 178.44 179.13 3ii8 h ASP 741 N 0.86 0.53 0.01 -0.43 3.32 -1.06 -1.04 116.42 118.60 3ii8 h ASP 741 Ca 0.29 -0.48 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 3ii8 h ASP 741 Cb 0.09 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3ii8 h ASP 741 CO -0.09 0.90 -0.06 -0.09 -1.72 0.00 0.00 179.24 178.19 3ii8 h ARG 742 N 0.16 0.14 0.13 3.56 2.43 -0.85 -1.12 114.38 118.83 3ii8 h ARG 742 Ca 0.03 -0.02 -0.32 0.00 -0.81 0.00 0.00 59.98 58.86 3ii8 h ARG 742 Cb 0.76 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.28 3ii8 h ARG 742 CO 0.05 0.21 -1.58 -0.56 -1.51 0.00 0.00 179.97 176.58 3ii8 h GLN 743 N 0.14 0.28 -0.79 0.20 3.07 -1.28 -3.28 115.11 113.46 3ii8 h GLN 743 Ca 0.03 -0.48 0.13 0.00 0.09 0.00 0.00 58.65 58.42 3ii8 h GLN 743 Cb 0.20 0.18 -0.06 0.00 0.08 0.00 0.00 27.48 27.88 3ii8 h GLN 743 CO 0.01 1.16 0.52 -0.22 0.09 0.00 0.00 178.83 180.38 3ii8 h LYS 744 N 0.08 0.55 -0.01 0.06 3.64 -0.92 0.68 116.57 120.64 3ii8 h LYS 744 Ca -0.26 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 3ii8 h LYS 744 Cb 2.04 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.73 3ii8 h LYS 744 CO 0.17 0.36 0.00 0.00 -2.27 0.00 0.00 179.45 177.71 3ii8 n ALA 745 N -2.48 2.64 0.00 5.00 0.00 -0.45 -5.09 120.51 120.14 3ii8 n ALA 745 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3ii8 n ALA 745 Cb 0.45 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3ii8 n ALA 745 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93