#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a4l s PRO 505 N 0.00 2.12 0.19 -2.82 0.04 -1.26 -4.95 135.00 128.32 1a4l s PRO 505 Ca 0.00 1.75 0.02 0.00 0.04 0.00 0.00 61.00 62.80 1a4l s PRO 505 Cb 0.00 -1.83 0.11 0.00 0.04 0.00 0.00 34.50 32.81 1a4l s PRO 505 CO 0.00 -1.85 1.46 0.00 0.04 0.00 0.00 177.00 176.65 1a4l h ALA 506 N -0.34 0.66 -1.76 8.56 0.00 -1.92 -3.41 119.26 121.06 1a4l h ALA 506 Ca -0.47 -0.62 -0.36 0.00 0.00 0.00 0.00 54.91 53.46 1a4l h ALA 506 Cb 1.29 -0.07 -0.28 0.00 0.00 0.00 0.00 17.79 18.73 1a4l h ALA 506 CO 0.50 0.80 -0.70 0.12 0.00 0.00 0.00 179.25 179.96 1a4l s PHE 507 N -3.53 -0.33 -0.98 0.00 5.36 -1.26 -4.89 117.98 112.34 1a4l s PHE 507 Ca -0.04 -1.13 -0.08 0.00 -0.96 0.00 0.00 56.93 54.72 1a4l s PHE 507 Cb 0.11 -0.32 -0.14 0.00 -0.34 0.00 0.00 43.02 42.33 1a4l s PHE 507 CO 0.82 -1.02 2.98 -1.71 -1.46 0.00 0.00 175.22 174.82 1a4l n ASN 508 N 3.51 6.90 -3.90 6.13 5.15 -1.26 -4.82 115.26 126.96 1a4l n ASN 508 Ca 0.18 -2.48 -0.09 0.00 -0.60 0.00 0.00 54.58 51.60 1a4l n ASN 508 Cb 0.49 -1.41 -0.08 0.00 -0.53 0.00 0.00 39.78 38.26 1a4l n ASN 508 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1a4l s LYS 509 N 2.01 0.73 0.14 1.20 1.02 -1.26 -5.14 119.74 118.44 1a4l s LYS 509 Ca 0.63 -0.90 -0.32 0.00 0.02 0.00 0.00 55.97 55.40 1a4l s LYS 509 Cb 0.21 0.29 -0.18 0.00 -0.52 0.00 0.00 37.83 37.63 1a4l s LYS 509 CO -0.04 -0.21 0.69 -2.30 -0.92 0.00 0.00 175.35 172.57 1a4l n PRO 510 N 0.25 0.00 -4.35 -1.68 -0.02 -1.26 -4.90 135.00 123.04 1a4l n PRO 510 Ca -0.16 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.14 1a4l n PRO 510 Cb 0.61 -1.15 -0.10 0.00 -0.02 0.00 0.00 33.50 32.84 1a4l n PRO 510 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1a4l s LYS 511 N -0.68 1.38 -0.05 -0.52 1.02 -0.54 -4.94 119.74 115.41 1a4l s LYS 511 Ca 0.72 -1.69 0.03 0.00 0.02 0.00 0.00 55.97 55.04 1a4l s LYS 511 Cb -1.03 -0.75 0.01 0.00 -0.52 0.00 0.00 37.83 35.54 1a4l s LYS 511 CO 0.56 -0.06 -0.11 0.08 -0.92 0.00 0.00 175.35 174.90 1a4l s VAL 512 N -3.32 1.01 -0.15 3.17 1.01 -1.26 -0.95 120.40 119.91 1a4l s VAL 512 Ca 0.28 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1a4l s VAL 512 Cb 0.05 -0.91 0.03 0.00 0.00 0.00 0.00 36.38 35.55 1a4l s VAL 512 CO 0.09 0.31 -0.11 -0.70 0.00 0.00 0.00 175.10 174.69 1a4l s GLU 513 N 0.41 2.01 0.00 2.72 2.12 -0.77 -4.74 118.70 120.44 1a4l s GLU 513 Ca -0.08 -0.51 0.15 0.00 0.36 0.00 0.00 54.97 54.89 1a4l s GLU 513 Cb -0.12 -2.00 0.25 0.00 0.26 0.00 0.00 34.13 32.51 1a4l s GLU 513 CO 0.02 -0.28 1.15 1.28 -0.54 0.00 0.00 175.26 176.88 1a4l n LEU 514 N 4.81 2.72 -3.30 2.70 4.32 -1.26 -1.48 117.00 125.51 1a4l n LEU 514 Ca -0.15 -1.41 -0.10 0.00 -0.02 0.00 0.00 56.01 54.34 1a4l n LEU 514 Cb 0.49 -0.13 -0.05 0.00 -1.62 0.00 0.00 43.42 42.11 1a4l n LEU 514 CO 0.20 0.58 -0.06 -2.28 -1.22 0.00 0.00 177.39 174.61 1a4l s HIS 515 N -1.18 -0.89 -0.12 -1.77 2.46 -1.26 -4.78 115.29 107.76 1a4l s HIS 515 Ca 0.24 -0.32 -0.18 0.00 0.47 0.00 0.00 55.06 55.27 1a4l s HIS 515 Cb 0.15 -0.12 0.04 0.00 -0.13 0.00 0.00 32.58 32.52 1a4l s HIS 515 CO 0.21 -1.05 0.45 0.54 -2.47 0.00 0.00 174.74 172.42 1a4l s VAL 516 N 1.69 0.02 -0.25 0.89 0.11 -1.25 -2.51 120.40 119.09 1a4l s VAL 516 Ca 0.16 -0.13 -0.09 0.00 -2.93 0.00 0.00 61.98 58.99 1a4l s VAL 516 Cb -0.11 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 1a4l s VAL 516 CO -0.07 -0.07 0.14 -1.00 -3.33 0.00 0.00 175.10 170.76 1a4l s HIS 517 N -0.37 3.20 0.35 1.54 3.76 0.15 -1.31 115.29 122.62 1a4l s HIS 517 Ca -0.05 -0.03 0.03 0.00 -0.15 0.00 0.00 55.06 54.86 1a4l s HIS 517 Cb -0.03 -2.29 0.65 0.00 1.11 0.00 0.00 32.58 32.01 1a4l s HIS 517 CO 0.03 -0.15 1.99 1.25 -0.85 0.00 0.00 174.74 177.01 1a4l h LEU 518 N 8.01 0.67 0.00 0.89 5.85 -1.37 0.11 115.31 129.48 1a4l h LEU 518 Ca -0.37 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1a4l h LEU 518 Cb 1.18 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1a4l h LEU 518 CO 0.59 0.52 0.00 -0.90 -0.34 0.00 0.00 178.44 178.32 1a4l n ASP 519 N -4.42 0.00 -0.64 1.25 5.68 -1.26 -2.53 116.55 114.64 1a4l n ASP 519 Ca 0.05 0.35 0.05 0.00 -0.50 0.00 0.00 54.79 54.75 1a4l n ASP 519 Cb 0.08 -0.44 0.20 0.00 -1.14 0.00 0.00 41.12 39.81 1a4l n ASP 519 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a4l n GLY 520 N 0.81 4.86 2.68 6.12 0.00 0.33 -4.65 105.19 115.34 1a4l n GLY 520 Ca 0.07 -1.21 -0.08 0.00 0.00 0.00 0.00 46.02 44.81 1a4l n GLY 520 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a4l n ALA 521 N -1.13 2.74 -2.75 4.61 0.00 -0.85 -1.88 120.51 121.26 1a4l n ALA 521 Ca 0.22 -2.54 -0.27 0.00 0.00 0.00 0.00 53.44 50.85 1a4l n ALA 521 Cb 0.79 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 19.23 1a4l n ALA 521 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1a4l s ILE 522 N -2.13 4.27 0.15 0.00 1.01 -1.26 -4.78 121.20 118.46 1a4l s ILE 522 Ca 0.25 -1.11 -0.29 0.00 0.00 0.00 0.00 60.65 59.50 1a4l s ILE 522 Cb 0.44 -3.14 -0.07 0.00 0.01 0.00 0.00 42.46 39.70 1a4l s ILE 522 CO -0.00 -0.05 0.91 -0.54 0.00 0.00 0.00 174.94 175.25 1a4l s LYS 523 N -2.89 4.71 0.31 2.79 1.02 -1.26 -4.79 119.74 119.62 1a4l s LYS 523 Ca 0.29 1.38 0.01 0.00 0.02 0.00 0.00 55.97 57.68 1a4l s LYS 523 Cb -0.10 -3.33 0.54 0.00 -0.52 0.00 0.00 37.83 34.41 1a4l s LYS 523 CO 0.22 0.36 1.92 -1.35 -0.92 0.00 0.00 175.35 175.57 1a4l h PRO 524 N 5.00 0.98 -0.76 -1.68 0.11 -1.99 0.40 132.00 134.06 1a4l h PRO 524 Ca -0.44 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 65.66 1a4l h PRO 524 Cb 1.21 -0.22 -0.05 0.00 0.11 0.00 0.00 31.00 32.05 1a4l h PRO 524 CO 0.70 0.65 0.50 0.93 -0.21 0.00 0.00 178.00 180.57 1a4l h GLU 525 N 1.01 0.85 0.02 1.05 3.07 -1.95 0.11 114.58 118.75 1a4l h GLU 525 Ca 0.37 -0.05 -0.21 0.00 -0.50 0.00 0.00 59.36 58.97 1a4l h GLU 525 Cb 0.17 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1a4l h GLU 525 CO -0.13 0.56 -0.95 1.15 -1.40 0.00 0.00 179.01 178.24 1a4l h THR 526 N 0.88 1.50 0.01 1.13 2.02 -1.37 0.14 112.91 117.22 1a4l h THR 526 Ca 0.31 -2.72 -0.00 0.00 0.77 0.00 0.00 66.41 64.77 1a4l h THR 526 Cb 0.14 2.56 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 1a4l h THR 526 CO -0.10 0.79 -0.00 0.40 0.37 0.00 0.00 175.52 176.98 1a4l h ILE 527 N 0.11 1.22 -0.37 3.11 2.04 -0.41 -1.94 117.51 121.27 1a4l h ILE 527 Ca -0.06 -0.71 0.03 0.00 1.00 0.00 0.00 64.86 65.13 1a4l h ILE 527 Cb 1.60 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 39.35 1a4l h ILE 527 CO 0.15 0.18 0.16 0.25 0.00 0.00 0.00 178.15 178.89 1a4l h LEU 528 N -0.32 0.22 -0.53 1.44 5.85 -0.80 -0.33 115.31 120.85 1a4l h LEU 528 Ca -0.00 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.83 1a4l h LEU 528 Cb 0.31 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.26 1a4l h LEU 528 CO 0.00 0.16 0.16 0.22 -0.34 0.00 0.00 178.44 178.64 1a4l h TYR 529 N 0.34 0.27 0.00 1.25 3.20 -0.55 -1.81 116.97 119.66 1a4l h TYR 529 Ca 0.16 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.00 1a4l h TYR 529 Cb 0.10 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1a4l h TYR 529 CO -0.12 0.05 -0.27 0.74 -1.64 0.00 0.00 178.16 176.93 1a4l h PHE 530 N 0.32 0.00 -0.15 -3.82 0.04 -0.90 -2.58 116.94 109.85 1a4l h PHE 530 Ca 0.26 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.02 1a4l h PHE 530 Cb 0.33 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 1a4l h PHE 530 CO -0.19 0.27 0.05 0.78 -0.60 0.00 0.00 178.31 178.62 1a4l h GLY 531 N 3.10 0.24 1.12 -1.45 0.00 -0.21 -1.84 103.07 104.03 1a4l h GLY 531 Ca -0.00 -0.14 -0.16 0.00 0.00 0.00 0.00 47.33 47.03 1a4l h GLY 531 CO 0.03 0.13 -0.38 0.50 0.00 0.00 0.00 176.54 176.83 1a4l h LYS 532 N 0.07 0.94 -0.48 4.80 1.57 -1.52 -1.80 116.57 120.15 1a4l h LYS 532 Ca 0.05 -0.49 -0.02 0.00 -1.87 0.00 0.00 60.65 58.32 1a4l h LYS 532 Cb 0.20 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1a4l h LYS 532 CO -0.00 1.15 0.22 -0.22 -0.57 0.00 0.00 179.45 180.03 1a4l h LYS 533 N 0.76 0.67 0.00 3.15 3.64 -1.36 -3.15 116.57 120.28 1a4l h LYS 533 Ca 0.06 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1a4l h LYS 533 Cb 0.97 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1a4l h LYS 533 CO 0.09 0.53 -1.18 0.54 -2.27 0.00 0.00 179.45 177.16 1a4l n ARG 534 N -4.38 0.65 -2.17 1.90 1.74 -0.70 -4.99 116.66 108.71 1a4l n ARG 534 Ca 0.04 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1a4l n ARG 534 Cb 0.13 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1a4l n ARG 534 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a4l n GLY 535 N 1.43 0.71 3.37 -0.13 0.00 -0.86 -5.05 105.19 104.66 1a4l n GLY 535 Ca 0.02 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 1a4l n GLY 535 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a4l s ILE 536 N -2.50 3.02 0.23 -0.61 1.01 -0.73 -5.06 121.20 116.56 1a4l s ILE 536 Ca 0.00 -0.67 -0.30 0.00 0.00 0.00 0.00 60.65 59.68 1a4l s ILE 536 Cb 0.00 -2.26 -0.09 0.00 0.01 0.00 0.00 42.46 40.12 1a4l s ILE 536 CO 0.00 0.53 1.10 0.00 0.00 0.00 0.00 174.94 176.57 1a4l s ALA 537 N 0.31 3.39 0.26 9.38 0.00 -1.26 -4.49 121.76 129.36 1a4l s ALA 537 Ca -0.11 0.85 0.09 0.00 0.00 0.00 0.00 51.96 52.79 1a4l s ALA 537 Cb -0.16 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 1a4l s ALA 537 CO 0.06 -0.18 0.04 -0.51 0.00 0.00 0.00 175.76 175.17 1a4l s LEU 538 N -0.86 3.32 0.00 0.00 2.01 -1.26 -4.98 118.68 116.90 1a4l s LEU 538 Ca 0.47 -0.57 0.02 0.00 0.01 0.00 0.00 54.13 54.06 1a4l s LEU 538 Cb -0.31 -1.84 0.11 0.00 0.01 0.00 0.00 46.19 44.17 1a4l s LEU 538 CO 0.37 -0.01 0.89 -0.81 1.01 0.00 0.00 176.35 177.81 1a4l n PRO 539 N -0.95 0.81 -3.52 1.29 -0.04 -1.26 -4.78 135.00 126.55 1a4l n PRO 539 Ca -0.07 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.23 1a4l n PRO 539 Cb 0.59 -1.04 -0.05 0.00 -0.04 0.00 0.00 33.50 32.96 1a4l n PRO 539 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a4l s ALA 540 N -2.00 -1.79 -1.89 0.55 0.00 -1.26 -4.91 121.76 110.47 1a4l s ALA 540 Ca 0.03 1.30 0.19 0.00 0.00 0.00 0.00 51.96 53.48 1a4l s ALA 540 Cb 0.01 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.11 1a4l s ALA 540 CO 0.02 -0.40 0.99 -0.25 0.00 0.00 0.00 175.76 176.12 1a4l n ASP 541 N 0.75 2.00 -4.21 0.00 8.00 -1.26 -4.82 116.55 117.01 1a4l n ASP 541 Ca -0.17 -1.50 -0.18 0.00 0.71 0.00 0.00 54.79 53.65 1a4l n ASP 541 Cb 0.58 0.35 -0.11 0.00 -0.02 0.00 0.00 41.12 41.92 1a4l n ASP 541 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1a4l s THR 542 N -1.99 1.24 0.22 -3.53 -4.23 -1.26 -5.06 115.64 101.02 1a4l s THR 542 Ca 0.17 -1.56 -0.09 0.00 -1.18 0.00 0.00 61.69 59.03 1a4l s THR 542 Cb 0.15 -1.36 0.17 0.00 1.34 0.00 0.00 72.50 72.81 1a4l s THR 542 CO 0.41 -0.35 1.87 -0.37 -0.54 0.00 0.00 174.62 175.65 1a4l h VAL 543 N 3.82 1.22 -0.61 2.29 -1.51 -1.93 0.47 116.25 120.00 1a4l h VAL 543 Ca -0.40 -0.46 -0.03 0.00 -1.23 0.00 0.00 66.70 64.58 1a4l h VAL 543 Cb 1.19 0.07 -0.03 0.00 -2.13 0.00 0.00 31.29 30.40 1a4l h VAL 543 CO 0.47 0.22 0.25 -0.08 -1.23 0.00 0.00 177.57 177.20 1a4l h GLU 544 N 1.10 0.91 -0.30 5.19 4.57 -1.99 -0.14 114.58 123.93 1a4l h GLU 544 Ca 0.29 -0.16 -0.16 0.00 -1.18 0.00 0.00 59.36 58.15 1a4l h GLU 544 Cb -0.07 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.37 1a4l h GLU 544 CO -0.06 0.77 -0.42 0.93 -1.18 0.00 0.00 179.01 179.05 1a4l h GLU 545 N 0.85 0.81 -0.55 1.92 4.39 -1.93 -2.15 114.58 117.93 1a4l h GLU 545 Ca 0.21 -0.47 0.05 0.00 0.34 0.00 0.00 59.36 59.48 1a4l h GLU 545 Cb 0.19 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.83 1a4l h GLU 545 CO -0.02 1.11 0.28 1.25 -1.16 0.00 0.00 179.01 180.47 1a4l h LEU 546 N 0.58 0.40 -1.04 1.33 5.85 -0.73 -0.45 115.31 121.24 1a4l h LEU 546 Ca 0.03 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1a4l h LEU 546 Cb 1.02 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 1a4l h LEU 546 CO 0.10 0.27 0.65 0.03 -0.34 0.00 0.00 178.44 179.14 1a4l h ARG 547 N 0.53 1.21 0.00 1.25 3.08 -0.86 0.53 114.38 120.12 1a4l h ARG 547 Ca 0.24 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.13 1a4l h ARG 547 Cb 0.16 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1a4l h ARG 547 CO -0.17 0.80 -0.46 -0.91 -1.07 0.00 0.00 179.97 178.16 1a4l h ASN 548 N 1.25 0.00 0.21 7.04 2.35 -0.57 -1.21 115.58 124.66 1a4l h ASN 548 Ca 0.39 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.79 1a4l h ASN 548 Cb -0.00 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 1a4l h ASN 548 CO -0.12 0.46 -2.01 0.00 -1.65 0.00 0.00 177.43 174.11 1a4l n ILE 549 N -3.47 1.65 0.04 2.81 3.06 -0.29 -4.22 119.36 118.94 1a4l n ILE 549 Ca 0.00 -0.71 -0.15 0.00 -2.50 0.00 0.00 62.75 59.39 1a4l n ILE 549 Cb 0.59 -1.35 -0.05 0.00 0.54 0.00 0.00 39.64 39.38 1a4l n ILE 549 CO 0.00 0.00 0.00 0.40 -2.50 0.00 0.00 176.55 174.45 1a4l h ILE 550 N 0.03 1.34 -4.28 9.51 2.04 -1.01 -3.46 117.51 121.68 1a4l h ILE 550 Ca -0.41 -2.21 -0.50 0.00 1.00 0.00 0.00 64.86 62.73 1a4l h ILE 550 Cb 2.03 2.23 0.08 0.00 -0.74 0.00 0.00 36.82 40.42 1a4l h ILE 550 CO 0.06 0.68 0.37 -0.83 0.00 0.00 0.00 178.15 178.42 1a4l s GLY 551 N -4.29 1.84 -0.16 5.37 0.00 -0.46 -4.67 107.32 104.95 1a4l s GLY 551 Ca -0.08 0.21 -0.02 0.00 0.00 0.00 0.00 44.72 44.83 1a4l s GLY 551 CO 0.88 0.52 -0.09 1.06 0.00 0.00 0.00 173.10 175.47 1a4l s MET 552 N -4.66 3.43 -0.19 2.90 -1.94 0.81 -4.88 119.30 114.77 1a4l s MET 552 Ca 0.60 -0.64 -0.07 0.00 -1.71 0.00 0.00 55.69 53.87 1a4l s MET 552 Cb -0.15 -2.79 -0.21 0.00 2.01 0.00 0.00 34.83 33.69 1a4l s MET 552 CO 0.48 0.09 0.10 -3.47 -0.01 0.00 0.00 175.02 172.21 1a4l n ASP 553 N 3.92 2.03 -4.34 3.03 2.03 -1.26 -4.78 116.55 117.19 1a4l n ASP 553 Ca -0.18 0.14 -0.20 0.00 0.52 0.00 0.00 54.79 55.08 1a4l n ASP 553 Cb 0.52 -0.74 -0.10 0.00 -0.72 0.00 0.00 41.12 40.08 1a4l n ASP 553 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1a4l s LYS 554 N -2.52 1.31 0.19 -0.67 1.02 -1.26 -5.04 119.74 112.78 1a4l s LYS 554 Ca -0.29 -1.53 -0.33 0.00 0.02 0.00 0.00 55.97 53.85 1a4l s LYS 554 Cb 0.08 -1.20 -0.14 0.00 -0.52 0.00 0.00 37.83 36.05 1a4l s LYS 554 CO 0.67 0.22 1.48 -2.30 -0.92 0.00 0.00 175.35 174.49 1a4l n PRO 555 N -0.15 1.99 0.00 -1.68 -0.02 -1.26 -4.89 135.00 128.99 1a4l n PRO 555 Ca -0.10 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1a4l n PRO 555 Cb 0.59 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1a4l n PRO 555 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1a4l n LEU 556 N 2.79 0.00 -3.83 2.45 4.77 -0.02 -4.99 117.00 118.17 1a4l n LEU 556 Ca 0.15 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.07 1a4l n LEU 556 Cb 0.29 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 1a4l n LEU 556 CO 0.63 0.00 0.55 -0.94 -1.33 0.00 0.00 177.39 176.30 1a4l s SER 557 N 0.98 -0.19 0.18 -1.43 1.04 -1.24 -4.59 113.70 108.47 1a4l s SER 557 Ca 0.00 -0.64 -0.13 0.00 0.48 0.00 0.00 55.95 55.66 1a4l s SER 557 Cb 0.00 0.68 0.09 0.00 0.10 0.00 0.00 66.02 66.89 1a4l s SER 557 CO 0.00 -1.28 1.85 0.25 0.98 0.00 0.00 173.24 175.04 1a4l h LEU 558 N 2.00 0.69 -0.93 2.42 5.85 -1.88 -0.32 115.31 123.14 1a4l h LEU 558 Ca -0.22 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 1a4l h LEU 558 Cb 1.24 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 1a4l h LEU 558 CO 0.27 0.50 0.05 -0.65 -0.34 0.00 0.00 178.44 178.27 1a4l h PRO 559 N 0.81 0.84 -0.43 5.25 0.11 -1.97 -0.58 132.00 136.04 1a4l h PRO 559 Ca 0.22 -0.21 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 1a4l h PRO 559 Cb -0.09 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 30.89 1a4l h PRO 559 CO -0.05 0.81 0.24 0.78 -0.21 0.00 0.00 178.00 179.57 1a4l h GLY 560 N 0.98 0.63 0.92 -0.55 0.00 -1.82 -1.97 103.07 101.26 1a4l h GLY 560 Ca 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1a4l h GLY 560 CO 0.01 0.27 0.11 -2.75 0.00 0.00 0.00 176.54 174.18 1a4l h PHE 561 N 0.56 0.36 0.00 5.60 3.57 -0.76 -2.87 116.94 123.41 1a4l h PHE 561 Ca 0.15 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1a4l h PHE 561 Cb 0.04 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1a4l h PHE 561 CO -0.03 0.36 0.00 -0.07 -2.23 0.00 0.00 178.31 176.35 1a4l h LEU 562 N 0.26 0.00 -0.18 0.59 3.38 -0.91 -2.34 115.31 116.11 1a4l h LEU 562 Ca 0.08 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1a4l h LEU 562 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1a4l h LEU 562 CO -0.01 0.00 -0.47 0.00 0.09 0.00 0.00 178.44 178.06 1a4l h ALA 563 N 2.05 0.73 -0.04 1.53 0.00 -1.12 -3.26 119.26 119.16 1a4l h ALA 563 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.50 1a4l h ALA 563 Cb 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1a4l h ALA 563 CO 0.00 0.58 0.11 0.87 0.00 0.00 0.00 179.25 180.81 1a4l h LYS 564 N 0.00 0.00 0.00 0.00 1.79 -1.48 -1.37 116.57 115.51 1a4l h LYS 564 Ca -0.00 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 1a4l h LYS 564 Cb 1.29 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.93 1a4l h LYS 564 CO 0.06 0.00 -0.32 0.74 -1.08 0.00 0.00 179.45 178.85 1a4l h PHE 565 N 0.00 0.00 0.00 -1.35 -1.00 -1.75 -3.01 116.94 109.83 1a4l h PHE 565 Ca 0.02 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 1a4l h PHE 565 Cb 0.24 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.80 1a4l h PHE 565 CO 0.00 0.32 -0.05 -0.44 -1.61 0.00 0.00 178.31 176.53 1a4l h ASP 566 N 0.00 0.00 0.45 2.17 3.32 -1.48 -1.39 116.42 119.48 1a4l h ASP 566 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1a4l h ASP 566 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1a4l h ASP 566 CO 0.04 0.05 -0.23 1.88 -1.72 0.00 0.00 179.24 179.27 1a4l h TYR 567 N 0.00 -0.59 0.00 4.55 0.05 -1.70 -3.39 116.97 115.89 1a4l h TYR 567 Ca -0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1a4l h TYR 567 Cb 0.10 0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.04 1a4l h TYR 567 CO 0.00 -0.36 -1.33 2.48 -1.05 0.00 0.00 178.16 177.90 1a4l n TYR 568 N -5.36 0.00 -0.32 4.88 4.11 -1.20 -4.67 117.16 114.60 1a4l n TYR 568 Ca -0.11 0.00 0.09 0.00 -0.00 0.00 0.00 57.90 57.87 1a4l n TYR 568 Cb 0.26 -0.21 0.29 0.00 -0.00 0.00 0.00 39.34 39.69 1a4l n TYR 568 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.86 177.38 1a4l h MET 569 N 0.00 0.86 -0.15 -3.48 2.86 -1.44 -1.93 114.93 111.65 1a4l h MET 569 Ca 0.00 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.63 1a4l h MET 569 Cb 0.47 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1a4l h MET 569 CO 0.00 0.57 0.13 -1.35 1.06 0.00 0.00 176.91 177.32 1a4l h PRO 570 N 0.88 0.00 0.01 -0.22 0.11 -1.81 -1.40 132.00 129.58 1a4l h PRO 570 Ca 0.47 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.38 1a4l h PRO 570 Cb 0.56 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 1a4l h PRO 570 CO -0.24 0.00 -0.92 0.28 -0.21 0.00 0.00 178.00 176.92 1a4l h VAL 571 N 0.00 1.59 0.00 3.15 2.07 -1.67 -3.37 116.25 118.02 1a4l h VAL 571 Ca 0.07 -2.94 -0.24 0.00 0.82 0.00 0.00 66.70 64.41 1a4l h VAL 571 Cb 0.34 2.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.70 1a4l h VAL 571 CO -0.00 0.85 -1.29 -0.38 0.02 0.00 0.00 177.57 176.76 1a4l n ILE 572 N -3.53 1.54 -1.61 4.57 2.08 -0.81 -4.82 119.36 116.78 1a4l n ILE 572 Ca -0.02 -0.04 -0.45 0.00 0.56 0.00 0.00 62.75 62.80 1a4l n ILE 572 Cb 0.85 -2.03 -0.02 0.00 -0.75 0.00 0.00 39.64 37.69 1a4l n ILE 572 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1a4l n ALA 573 N -3.42 -0.02 -1.06 -1.39 0.00 -0.59 -2.40 120.51 111.63 1a4l n ALA 573 Ca -0.33 0.40 -0.02 0.00 0.00 0.00 0.00 53.44 53.49 1a4l n ALA 573 Cb 0.69 -2.06 -0.01 0.00 0.00 0.00 0.00 19.45 18.07 1a4l n ALA 573 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a4l n GLY 574 N 1.31 0.52 2.96 0.00 0.00 0.59 -4.95 105.19 105.62 1a4l n GLY 574 Ca 0.10 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 1a4l n GLY 574 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a4l h ARG 576 N 7.91 -0.29 -0.06 0.00 3.08 -1.95 -0.15 114.38 122.92 1a4l h ARG 576 Ca -0.17 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 1a4l h ARG 576 Cb 1.06 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 1a4l h ARG 576 CO 0.43 -0.20 -0.08 1.05 -1.07 0.00 0.00 179.97 180.11 1a4l h GLU 577 N -0.30 0.08 -0.11 0.04 4.11 -1.96 -1.94 114.58 114.50 1a4l h GLU 577 Ca 0.09 -0.01 -0.15 0.00 0.07 0.00 0.00 59.36 59.37 1a4l h GLU 577 Cb 0.44 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.68 1a4l h GLU 577 CO -0.28 0.17 -0.50 0.00 0.07 0.00 0.00 179.01 178.46 1a4l h ALA 578 N 1.84 0.21 -0.86 1.06 0.00 -1.73 -0.95 119.26 118.82 1a4l h ALA 578 Ca 0.02 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.44 1a4l h ALA 578 Cb 0.20 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1a4l h ALA 578 CO 0.01 0.39 0.57 0.82 0.00 0.00 0.00 179.25 181.04 1a4l h ILE 579 N 0.14 1.21 -0.16 0.00 2.04 -0.63 -1.20 117.51 118.90 1a4l h ILE 579 Ca -0.03 -0.39 -0.15 0.00 1.00 0.00 0.00 64.86 65.29 1a4l h ILE 579 Cb 1.15 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1a4l h ILE 579 CO 0.10 0.21 -0.48 0.11 0.00 0.00 0.00 178.15 178.10 1a4l h LYS 580 N 1.15 0.60 0.47 2.37 1.57 -1.37 -3.22 116.57 118.14 1a4l h LYS 580 Ca 0.32 -0.44 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1a4l h LYS 580 Cb -0.11 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1a4l h LYS 580 CO -0.08 1.06 -0.33 -0.09 -0.57 0.00 0.00 179.45 179.44 1a4l h ARG 581 N 0.26 -0.75 -0.84 3.15 2.43 -0.73 -1.55 114.38 116.36 1a4l h ARG 581 Ca -0.01 0.05 0.21 0.00 -0.81 0.00 0.00 59.98 59.41 1a4l h ARG 581 Cb 1.10 0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 30.77 1a4l h ARG 581 CO 0.10 -0.50 0.57 -0.84 -1.51 0.00 0.00 179.97 177.79 1a4l h ILE 582 N -0.78 0.67 0.03 1.20 3.07 -1.35 0.22 117.51 120.57 1a4l h ILE 582 Ca -0.05 -0.09 -0.00 0.00 1.55 0.00 0.00 64.86 66.27 1a4l h ILE 582 Cb 0.65 0.39 0.00 0.00 -0.27 0.00 0.00 36.82 37.59 1a4l h ILE 582 CO 0.02 0.05 -0.02 0.00 -1.05 0.00 0.00 178.15 177.15 1a4l h ALA 583 N 1.62 -0.04 -0.57 0.16 0.00 -1.42 -0.97 119.26 118.03 1a4l h ALA 583 Ca 0.42 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1a4l h ALA 583 Cb 1.25 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1a4l h ALA 583 CO -0.11 -0.31 0.24 -0.92 0.00 0.00 0.00 179.25 178.15 1a4l h TYR 584 N -0.47 0.86 -0.02 0.00 3.20 -0.30 -2.58 116.97 117.66 1a4l h TYR 584 Ca -0.00 -0.06 -0.08 0.00 3.14 0.00 0.00 58.73 61.72 1a4l h TYR 584 Cb 0.44 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1a4l h TYR 584 CO 0.07 0.69 -0.36 0.93 -1.64 0.00 0.00 178.16 177.85 1a4l h GLU 585 N 0.78 0.04 -0.24 1.82 5.08 -1.01 -2.75 114.58 118.31 1a4l h GLU 585 Ca 0.19 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1a4l h GLU 585 Cb 0.19 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1a4l h GLU 585 CO -0.02 0.40 0.14 0.35 -1.00 0.00 0.00 179.01 178.88 1a4l h PHE 586 N 0.04 0.25 -0.81 4.33 3.57 -0.77 -0.67 116.94 122.88 1a4l h PHE 586 Ca 0.00 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.57 1a4l h PHE 586 Cb 0.66 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.26 1a4l h PHE 586 CO 0.00 0.15 0.49 0.28 -2.23 0.00 0.00 178.31 177.00 1a4l h VAL 587 N 0.28 1.02 -0.45 1.41 2.07 -1.32 -1.44 116.25 117.82 1a4l h VAL 587 Ca 0.09 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1a4l h VAL 587 Cb -0.00 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.80 1a4l h VAL 587 CO -0.04 0.16 0.16 -0.08 0.02 0.00 0.00 177.57 177.79 1a4l h GLU 588 N 0.89 0.69 -0.18 1.57 4.81 -1.36 -0.00 114.58 120.99 1a4l h GLU 588 Ca 0.36 -0.14 0.05 0.00 -0.13 0.00 0.00 59.36 59.50 1a4l h GLU 588 Cb 0.18 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.39 1a4l h GLU 588 CO -0.18 0.65 -0.25 0.52 -0.73 0.00 0.00 179.01 179.03 1a4l h MET 589 N 0.59 -0.27 -0.45 1.92 2.86 -0.13 -2.26 114.93 117.18 1a4l h MET 589 Ca 0.15 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 1a4l h MET 589 Cb 0.23 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1a4l h MET 589 CO -0.01 -0.18 0.17 0.87 1.06 0.00 0.00 176.91 178.82 1a4l h LYS 590 N -0.28 0.68 -0.41 1.72 1.79 -1.17 -2.88 116.57 116.02 1a4l h LYS 590 Ca 0.12 -0.13 0.09 0.00 -2.18 0.00 0.00 60.65 58.54 1a4l h LYS 590 Cb 0.46 -0.11 -0.09 0.00 -1.58 0.00 0.00 32.23 30.92 1a4l h LYS 590 CO -0.35 0.63 -0.19 0.00 -1.08 0.00 0.00 179.45 178.46 1a4l h ALA 591 N 1.02 0.12 0.00 3.86 0.00 -0.62 0.28 119.26 123.91 1a4l h ALA 591 Ca 0.15 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1a4l h ALA 591 Cb 0.21 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1a4l h ALA 591 CO -0.01 -0.55 0.00 0.87 0.00 0.00 0.00 179.25 179.56 1a4l h LYS 592 N -0.11 0.00 -0.01 0.00 1.57 -1.30 -0.96 116.57 115.76 1a4l h LYS 592 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1a4l h LYS 592 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1a4l h LYS 592 CO -0.48 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 178.79 1a4l n GLU 593 N -2.74 1.32 -0.96 3.15 1.02 0.96 -4.88 120.64 118.51 1a4l n GLU 593 Ca -0.01 -0.47 0.00 0.00 -0.02 0.00 0.00 57.16 56.66 1a4l n GLU 593 Cb 0.15 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 1a4l n GLU 593 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a4l n GLY 594 N 1.08 0.43 3.67 0.62 0.00 -0.36 -4.91 105.19 105.72 1a4l n GLY 594 Ca 0.21 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1a4l n GLY 594 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a4l s VAL 595 N -2.00 4.92 -0.29 1.61 1.01 -1.06 -1.47 120.40 123.12 1a4l s VAL 595 Ca 0.00 1.53 0.22 0.00 0.00 0.00 0.00 61.98 63.73 1a4l s VAL 595 Cb 0.00 -4.09 -0.29 0.00 0.00 0.00 0.00 36.38 32.00 1a4l s VAL 595 CO 0.00 0.06 0.63 1.33 0.00 0.00 0.00 175.10 177.12 1a4l n VAL 596 N 4.64 0.03 -3.76 2.92 0.24 -0.12 -4.37 118.33 117.90 1a4l n VAL 596 Ca 0.03 -0.37 -0.13 0.00 -2.04 0.00 0.00 64.34 61.83 1a4l n VAL 596 Cb 0.49 0.23 -0.13 0.00 -1.47 0.00 0.00 33.84 32.96 1a4l n VAL 596 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1a4l s TYR 597 N -3.38 -0.26 0.01 6.34 5.04 -1.23 -2.22 117.35 121.65 1a4l s TYR 597 Ca -0.03 0.64 -0.02 0.00 -2.44 0.00 0.00 57.07 55.21 1a4l s TYR 597 Cb 0.14 0.04 -0.01 0.00 0.35 0.00 0.00 41.96 42.49 1a4l s TYR 597 CO 0.89 -0.17 0.03 0.08 -1.34 0.00 0.00 175.55 175.04 1a4l s VAL 598 N 0.71 0.08 -0.23 3.14 1.01 -0.90 -1.85 120.40 122.37 1a4l s VAL 598 Ca -0.05 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1a4l s VAL 598 Cb -0.06 -0.28 0.05 0.00 0.00 0.00 0.00 36.38 36.10 1a4l s VAL 598 CO -0.04 -0.38 -0.07 -1.61 0.00 0.00 0.00 175.10 172.99 1a4l s GLU 599 N -1.19 1.78 -0.12 2.72 2.02 -0.55 -1.13 118.70 122.23 1a4l s GLU 599 Ca -0.13 -0.97 -0.10 0.00 0.02 0.00 0.00 54.97 53.79 1a4l s GLU 599 Cb -0.08 -2.55 -0.05 0.00 0.10 0.00 0.00 34.13 31.55 1a4l s GLU 599 CO -0.00 -0.55 0.22 0.08 0.02 0.00 0.00 175.26 175.04 1a4l s VAL 600 N 1.37 5.36 0.13 2.63 1.01 -0.30 -3.88 120.40 126.72 1a4l s VAL 600 Ca -0.05 0.40 0.10 0.00 0.00 0.00 0.00 61.98 62.43 1a4l s VAL 600 Cb -0.18 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1a4l s VAL 600 CO -0.07 0.54 -0.20 0.00 0.00 0.00 0.00 175.10 175.37 1a4l s ARG 601 N -0.53 1.67 -0.10 2.72 1.70 -0.43 -0.03 118.95 123.95 1a4l s ARG 601 Ca 0.16 -1.27 -0.31 0.00 -0.47 0.00 0.00 55.73 53.84 1a4l s ARG 601 Cb -0.13 -2.03 0.12 0.00 -0.57 0.00 0.00 34.95 32.34 1a4l s ARG 601 CO 0.05 0.46 1.01 1.52 -1.08 0.00 0.00 175.30 177.26 1a4l s TYR 602 N -1.23 -0.29 -0.37 5.89 1.13 -1.08 -0.96 117.35 120.45 1a4l s TYR 602 Ca 0.18 0.30 -0.18 0.00 -1.41 0.00 0.00 57.07 55.96 1a4l s TYR 602 Cb -0.10 0.50 0.00 0.00 -1.10 0.00 0.00 41.96 41.27 1a4l s TYR 602 CO 0.09 -0.39 0.50 0.45 -2.51 0.00 0.00 175.55 173.70 1a4l s SER 603 N -1.94 6.29 0.53 -0.18 0.15 -1.26 -1.22 113.70 116.05 1a4l s SER 603 Ca 0.04 -0.18 0.35 0.00 0.70 0.00 0.00 55.95 56.86 1a4l s SER 603 Cb -0.01 -2.26 1.68 0.00 -1.71 0.00 0.00 66.02 63.72 1a4l s SER 603 CO -0.05 -0.52 2.05 1.55 1.20 0.00 0.00 173.24 177.48 1a4l h PRO 604 N 8.55 0.00 0.00 5.44 0.13 -1.89 -2.81 132.00 141.42 1a4l h PRO 604 Ca -0.28 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.69 1a4l h PRO 604 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1a4l h PRO 604 CO 0.78 0.00 -0.79 0.45 -0.23 0.00 0.00 178.00 178.21 1a4l h HIS 605 N 0.00 0.00 -0.00 1.56 3.86 -1.91 -3.15 115.15 115.51 1a4l h HIS 605 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1a4l h HIS 605 Cb 0.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1a4l h HIS 605 CO 0.00 0.79 -0.00 1.28 0.86 0.00 0.00 177.93 180.85 1a4l n LEU 606 N -3.58 0.11 -0.10 2.43 4.77 -1.06 -3.10 117.00 116.46 1a4l n LEU 606 Ca -0.01 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 1a4l n LEU 606 Cb 0.76 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 1a4l n LEU 606 CO 0.44 0.02 0.17 0.18 -1.33 0.00 0.00 177.39 176.87 1a4l n LEU 607 N -0.96 0.85 -4.97 2.23 4.32 -1.20 -4.74 117.00 112.54 1a4l n LEU 607 Ca 0.22 -0.78 -0.21 0.00 -0.02 0.00 0.00 56.01 55.22 1a4l n LEU 607 Cb 0.15 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 41.97 1a4l n LEU 607 CO 0.19 0.19 0.29 0.00 -1.22 0.00 0.00 177.39 176.83 1a4l s ALA 608 N -0.84 3.91 0.00 -1.18 0.00 -1.18 -0.30 121.76 122.17 1a4l s ALA 608 Ca 0.04 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.75 1a4l s ALA 608 Cb 0.04 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1a4l s ALA 608 CO 0.11 -0.49 0.82 0.27 0.00 0.00 0.00 175.76 176.47 1a4l n ASN 609 N -2.13 0.00 -3.72 0.00 2.04 -0.07 -4.56 115.26 106.82 1a4l n ASN 609 Ca 0.04 -1.64 -0.12 0.00 -0.44 0.00 0.00 54.58 52.42 1a4l n ASN 609 Cb 0.59 -0.13 -0.10 0.00 -2.53 0.00 0.00 39.78 37.60 1a4l n ASN 609 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 1a4l s SER 610 N -0.64 -0.47 -1.20 0.53 0.15 -0.97 -0.57 113.70 110.52 1a4l s SER 610 Ca 0.00 0.86 -0.04 0.00 0.70 0.00 0.00 55.95 57.47 1a4l s SER 610 Cb 0.00 0.81 0.00 0.00 -1.71 0.00 0.00 66.02 65.12 1a4l s SER 610 CO 0.00 -0.17 1.03 0.29 1.20 0.00 0.00 173.24 175.59 1a4l n LYS 611 N 3.51 -6.88 -3.70 5.44 5.02 -1.26 -4.10 118.16 116.20 1a4l n LYS 611 Ca -0.18 0.79 -0.24 0.00 -2.02 0.00 0.00 58.31 56.66 1a4l n LYS 611 Cb 0.56 -5.67 -0.17 0.00 -0.02 0.00 0.00 35.03 29.73 1a4l n LYS 611 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1a4l s VAL 612 N -3.32 0.15 0.00 -0.18 1.01 -1.26 -4.66 120.40 112.14 1a4l s VAL 612 Ca 0.28 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1a4l s VAL 612 Cb -0.12 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.73 1a4l s VAL 612 CO 0.68 0.02 0.71 -0.67 0.00 0.00 0.00 175.10 175.84 1a4l n ASP 613 N 5.20 0.00 -4.55 3.32 -0.08 -1.26 -3.45 116.55 115.73 1a4l n ASP 613 Ca -0.06 0.72 -0.36 0.00 -1.51 0.00 0.00 54.79 53.58 1a4l n ASP 613 Cb 0.49 -0.22 -0.04 0.00 2.34 0.00 0.00 41.12 43.69 1a4l n ASP 613 CO 0.00 0.00 0.00 -2.84 0.12 0.00 0.00 177.20 174.48 1a4l s PRO 614 N -1.87 2.77 -0.22 -0.67 0.02 -1.26 -4.86 135.00 128.90 1a4l s PRO 614 Ca 0.00 0.07 -0.38 0.00 0.02 0.00 0.00 61.00 60.72 1a4l s PRO 614 Cb 0.00 -4.64 -0.14 0.00 0.02 0.00 0.00 34.50 29.74 1a4l s PRO 614 CO 0.00 -2.80 1.83 -0.12 -0.33 0.00 0.00 177.00 175.58 1a4l n MET 615 N 9.09 1.50 -1.95 5.54 1.56 -1.22 -4.92 117.12 126.72 1a4l n MET 615 Ca 0.25 0.54 -0.35 0.00 -0.27 0.00 0.00 57.70 57.87 1a4l n MET 615 Cb 0.50 -2.32 0.04 0.00 2.15 0.00 0.00 33.22 33.59 1a4l n MET 615 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 1a4l s PRO 616 N 3.95 2.92 -1.66 2.12 0.02 -1.26 -3.95 135.00 137.13 1a4l s PRO 616 Ca 0.97 1.70 -0.19 0.00 0.02 0.00 0.00 61.00 63.51 1a4l s PRO 616 Cb -0.93 -1.94 0.18 0.00 0.02 0.00 0.00 34.50 31.83 1a4l s PRO 616 CO 0.60 -1.21 0.66 0.91 -0.33 0.00 0.00 177.00 177.63 1a4l n TRP 617 N -1.80 -1.55 -0.61 6.54 7.02 -1.26 -1.86 117.44 123.93 1a4l n TRP 617 Ca 0.13 0.69 0.00 0.00 -1.02 0.00 0.00 57.50 57.30 1a4l n TRP 617 Cb 0.50 -2.45 0.00 0.00 -2.42 0.00 0.00 31.31 26.94 1a4l n TRP 617 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1a4l n ASN 618 N -2.49 -1.87 -4.15 -0.99 5.03 -1.25 -4.87 115.26 104.67 1a4l n ASN 618 Ca 0.08 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.19 1a4l n ASN 618 Cb 0.48 -2.58 0.07 0.00 -1.02 0.00 0.00 39.78 36.73 1a4l n ASN 618 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a4l n GLN 619 N -0.80 -0.11 -3.89 3.52 6.02 -0.78 -4.99 117.38 116.36 1a4l n GLN 619 Ca 0.00 -0.02 -0.34 0.00 -0.01 0.00 0.00 57.00 56.63 1a4l n GLN 619 Cb 0.16 -1.31 -0.05 0.00 1.02 0.00 0.00 30.24 30.06 1a4l n GLN 619 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1a4l s THR 620 N -2.14 5.44 -0.01 5.09 2.01 -1.26 -4.95 115.64 119.81 1a4l s THR 620 Ca 0.46 -0.06 -0.38 0.00 0.31 0.00 0.00 61.69 62.02 1a4l s THR 620 Cb -0.19 -3.52 -0.17 0.00 0.01 0.00 0.00 72.50 68.63 1a4l s THR 620 CO 0.77 0.38 1.37 -0.62 -0.69 0.00 0.00 174.62 175.84 1a4l n GLU 621 N 1.15 0.91 0.00 4.92 -0.58 -1.26 -4.93 120.64 120.86 1a4l n GLU 621 Ca -0.13 0.33 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1a4l n GLU 621 Cb 0.53 -1.95 0.00 0.00 -0.57 0.00 0.00 31.44 29.45 1a4l n GLU 621 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a4l n GLY 622 N 2.68 5.37 0.00 0.62 0.00 0.26 -5.03 105.19 109.09 1a4l n GLY 622 Ca 0.20 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1a4l n GLY 622 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a4l n ASP 623 N 0.00 0.32 -4.55 1.61 5.68 -1.26 -4.55 116.55 113.80 1a4l n ASP 623 Ca 0.00 -0.65 -0.40 0.00 -0.50 0.00 0.00 54.79 53.24 1a4l n ASP 623 Cb 0.00 0.62 -0.03 0.00 -1.14 0.00 0.00 41.12 40.57 1a4l n ASP 623 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1a4l s VAL 624 N -0.62 3.65 0.47 2.12 1.01 -1.26 -4.85 120.40 120.91 1a4l s VAL 624 Ca 0.00 0.14 -0.18 0.00 0.00 0.00 0.00 61.98 61.94 1a4l s VAL 624 Cb 0.00 -4.66 -0.09 0.00 0.00 0.00 0.00 36.38 31.64 1a4l s VAL 624 CO 0.00 -1.59 0.95 -0.89 0.00 0.00 0.00 175.10 173.57 1a4l s THR 625 N 6.67 4.51 0.55 3.92 2.01 -1.26 -0.89 115.64 131.15 1a4l s THR 625 Ca 0.46 1.26 0.27 0.00 0.31 0.00 0.00 61.69 64.00 1a4l s THR 625 Cb -0.08 -3.68 0.41 0.00 0.01 0.00 0.00 72.50 69.16 1a4l s THR 625 CO 0.12 -0.54 1.97 -0.65 -0.69 0.00 0.00 174.62 174.83 1a4l h PRO 626 N 1.31 0.00 -0.26 4.92 0.11 -1.81 0.49 132.00 136.76 1a4l h PRO 626 Ca -0.48 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 1a4l h PRO 626 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1a4l h PRO 626 CO 0.62 0.00 -0.10 0.22 -0.21 0.00 0.00 178.00 178.53 1a4l h ASP 627 N 0.00 0.54 -0.82 -2.05 1.82 -1.93 -3.16 116.42 110.83 1a4l h ASP 627 Ca 0.26 -0.39 0.09 0.00 -0.39 0.00 0.00 57.03 56.60 1a4l h ASP 627 Cb 1.10 -0.15 -0.06 0.00 0.68 0.00 0.00 39.33 40.91 1a4l h ASP 627 CO -0.00 0.81 0.53 0.44 -1.61 0.00 0.00 179.24 179.41 1a4l h ASP 628 N 0.27 0.70 0.20 2.28 3.32 -1.27 -1.30 116.42 120.61 1a4l h ASP 628 Ca 0.06 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 1a4l h ASP 628 Cb 0.59 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1a4l h ASP 628 CO 0.03 0.42 -0.40 -0.37 -1.72 0.00 0.00 179.24 177.20 1a4l h VAL 629 N 0.77 1.30 -0.48 -1.35 -1.51 -1.45 -0.78 116.25 112.76 1a4l h VAL 629 Ca 0.38 -1.50 -0.08 0.00 -1.23 0.00 0.00 66.70 64.27 1a4l h VAL 629 Cb 0.43 1.65 -0.02 0.00 -2.13 0.00 0.00 31.29 31.22 1a4l h VAL 629 CO -0.15 0.45 -0.00 0.58 -1.23 0.00 0.00 177.57 177.22 1a4l h VAL 630 N 0.23 1.26 -0.67 7.19 2.07 -1.27 0.23 116.25 125.30 1a4l h VAL 630 Ca 0.02 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 1a4l h VAL 630 Cb 0.81 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1a4l h VAL 630 CO 0.06 0.37 0.29 -0.78 0.02 0.00 0.00 177.57 177.53 1a4l h ASP 631 N 0.70 0.90 -0.17 0.57 3.58 -1.16 -0.70 116.42 120.13 1a4l h ASP 631 Ca 0.13 -0.16 -0.13 0.00 0.42 0.00 0.00 57.03 57.30 1a4l h ASP 631 Cb 0.51 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 1a4l h ASP 631 CO 0.03 0.81 -0.34 -0.07 -2.88 0.00 0.00 179.24 176.79 1a4l h LEU 632 N 0.93 0.71 -0.17 2.28 4.07 -0.63 -2.42 115.31 120.08 1a4l h LEU 632 Ca 0.22 -0.29 -0.10 0.00 0.08 0.00 0.00 57.88 57.79 1a4l h LEU 632 Cb 0.17 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.71 1a4l h LEU 632 CO -0.02 0.99 -0.29 0.58 -1.08 0.00 0.00 178.44 178.61 1a4l h VAL 633 N 0.57 1.35 -0.58 1.22 2.07 -0.32 -2.68 116.25 117.88 1a4l h VAL 633 Ca 0.06 -1.53 0.08 0.00 0.82 0.00 0.00 66.70 66.13 1a4l h VAL 633 Cb 0.85 1.93 -0.06 0.00 -1.52 0.00 0.00 31.29 32.48 1a4l h VAL 633 CO 0.07 0.46 0.24 0.78 0.02 0.00 0.00 177.57 179.15 1a4l h ASN 634 N 0.13 0.29 -0.14 0.57 -0.26 -1.10 0.74 115.58 115.81 1a4l h ASN 634 Ca 0.01 0.06 0.01 0.00 -0.56 0.00 0.00 56.30 55.82 1a4l h ASN 634 Cb 0.88 0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 38.14 1a4l h ASN 634 CO 0.07 0.18 0.05 1.56 -1.06 0.00 0.00 177.43 178.23 1a4l h GLN 635 N 0.45 0.12 -0.42 0.81 4.20 -1.41 0.11 115.11 118.97 1a4l h GLN 635 Ca 0.28 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.96 1a4l h GLN 635 Cb 0.29 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1a4l h GLN 635 CO -0.25 0.08 0.17 0.78 -0.67 0.00 0.00 178.83 178.94 1a4l h GLY 636 N 0.12 0.68 1.03 3.46 0.00 -1.07 -1.70 103.07 105.59 1a4l h GLY 636 Ca 0.06 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1a4l h GLY 636 CO -0.06 0.35 0.41 1.41 0.00 0.00 0.00 176.54 178.64 1a4l h LEU 637 N 0.54 1.07 -0.39 3.11 3.38 -0.61 -1.33 115.31 121.08 1a4l h LEU 637 Ca 0.14 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1a4l h LEU 637 Cb 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1a4l h LEU 637 CO -0.01 0.89 -0.04 1.56 0.09 0.00 0.00 178.44 180.93 1a4l h GLN 638 N 1.16 0.71 -0.49 1.13 4.20 -0.60 0.73 115.11 121.95 1a4l h GLN 638 Ca 0.28 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 1a4l h GLN 638 Cb 0.10 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1a4l h GLN 638 CO -0.04 0.83 -0.13 0.93 -0.67 0.00 0.00 178.83 179.75 1a4l h GLU 639 N 0.53 0.93 -0.21 1.46 5.08 -1.18 -1.43 114.58 119.75 1a4l h GLU 639 Ca 0.11 -0.34 -0.09 0.00 -1.00 0.00 0.00 59.36 58.03 1a4l h GLU 639 Cb 0.53 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1a4l h GLU 639 CO 0.03 1.00 -0.28 0.78 -1.00 0.00 0.00 179.01 179.53 1a4l h GLY 640 N 0.95 0.44 1.11 -3.84 0.00 -1.10 0.11 103.07 100.74 1a4l h GLY 640 Ca 0.13 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.00 1a4l h GLY 640 CO 0.05 0.33 0.03 -2.09 0.00 0.00 0.00 176.54 174.86 1a4l h GLU 641 N 0.35 1.07 -0.15 4.80 4.81 -0.38 0.56 114.58 125.64 1a4l h GLU 641 Ca 0.05 -0.32 -0.19 0.00 -0.13 0.00 0.00 59.36 58.77 1a4l h GLU 641 Cb 0.68 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1a4l h GLU 641 CO 0.05 1.03 -0.68 1.96 -0.73 0.00 0.00 179.01 180.64 1a4l h GLN 642 N 0.99 0.62 0.06 1.92 7.50 -0.93 -2.97 115.11 122.29 1a4l h GLN 642 Ca 0.18 -0.46 -0.25 0.00 0.50 0.00 0.00 58.65 58.62 1a4l h GLN 642 Cb 0.53 0.08 0.01 0.00 0.05 0.00 0.00 27.48 28.14 1a4l h GLN 642 CO 0.03 1.08 -1.08 0.00 -1.50 0.00 0.00 178.83 177.36 1a4l h ALA 643 N 0.80 0.24 -0.02 3.87 0.00 -0.53 -3.37 119.26 120.24 1a4l h ALA 643 Ca -0.02 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1a4l h ALA 643 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1a4l h ALA 643 CO 0.13 0.86 -0.02 1.19 0.00 0.00 0.00 179.25 181.41 1a4l n PHE 644 N -3.67 0.00 -1.07 0.00 3.72 0.17 -5.01 117.46 111.59 1a4l n PHE 644 Ca -0.08 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.30 1a4l n PHE 644 Cb 0.92 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.45 1a4l n PHE 644 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a4l n GLY 645 N 0.88 0.56 3.54 1.37 0.00 -1.12 -4.95 105.19 105.46 1a4l n GLY 645 Ca 0.09 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 1a4l n GLY 645 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1a4l s ILE 646 N -1.95 3.06 -0.10 -0.61 -4.36 -1.25 -5.06 121.20 110.94 1a4l s ILE 646 Ca 0.00 -1.58 -0.20 0.00 -0.26 0.00 0.00 60.65 58.61 1a4l s ILE 646 Cb 0.00 -2.47 -0.04 0.00 1.25 0.00 0.00 42.46 41.20 1a4l s ILE 646 CO 0.00 -0.02 0.57 -0.75 0.24 0.00 0.00 174.94 174.99 1a4l s LYS 647 N -2.52 4.37 -0.01 0.37 2.20 -0.94 -4.48 119.74 118.73 1a4l s LYS 647 Ca 0.22 0.63 0.05 0.00 -0.36 0.00 0.00 55.97 56.51 1a4l s LYS 647 Cb -0.10 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.76 1a4l s LYS 647 CO 0.13 0.10 -0.17 0.08 -0.36 0.00 0.00 175.35 175.13 1a4l s VAL 648 N 0.76 1.32 0.07 4.02 1.01 -1.26 -2.12 120.40 124.21 1a4l s VAL 648 Ca 0.31 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1a4l s VAL 648 Cb -0.16 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1a4l s VAL 648 CO 0.13 0.34 -0.05 -0.13 0.00 0.00 0.00 175.10 175.40 1a4l s ARG 649 N -0.48 0.67 0.39 2.72 1.81 -0.29 -4.85 118.95 118.92 1a4l s ARG 649 Ca 0.06 -1.19 0.08 0.00 -1.72 0.00 0.00 55.73 52.96 1a4l s ARG 649 Cb -0.07 0.01 -0.06 0.00 -0.45 0.00 0.00 34.95 34.38 1a4l s ARG 649 CO -0.00 -0.06 0.06 -1.54 -0.68 0.00 0.00 175.30 173.07 1a4l s SER 650 N -2.77 4.13 -0.01 0.23 1.04 0.35 -1.15 113.70 115.52 1a4l s SER 650 Ca 0.06 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.33 1a4l s SER 650 Cb 0.04 -0.46 0.01 0.00 0.10 0.00 0.00 66.02 65.71 1a4l s SER 650 CO -0.07 -0.40 0.00 -0.63 0.98 0.00 0.00 173.24 173.13 1a4l s ILE 651 N -2.61 0.02 -0.17 -1.02 1.01 0.95 -0.38 121.20 118.99 1a4l s ILE 651 Ca 0.37 0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.97 1a4l s ILE 651 Cb 0.05 -0.06 -0.05 0.00 0.01 0.00 0.00 42.46 42.41 1a4l s ILE 651 CO 0.20 0.03 0.12 -0.76 0.00 0.00 0.00 174.94 174.53 1a4l s LEU 652 N 0.29 4.17 -0.20 2.97 1.43 -0.62 -2.62 118.68 124.11 1a4l s LEU 652 Ca -0.02 0.27 -0.13 0.00 -1.03 0.00 0.00 54.13 53.21 1a4l s LEU 652 Cb -0.04 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 1a4l s LEU 652 CO -0.01 0.24 0.25 0.00 0.23 0.00 0.00 176.35 177.07 1a4l s MET 655 N 0.20 4.07 0.44 0.00 -1.94 -1.26 -0.76 119.30 120.06 1a4l s MET 655 Ca 0.37 0.16 0.32 0.00 -1.71 0.00 0.00 55.69 54.83 1a4l s MET 655 Cb -0.19 -3.62 1.47 0.00 2.01 0.00 0.00 34.83 34.50 1a4l s MET 655 CO 0.21 -0.23 1.60 0.00 -0.01 0.00 0.00 175.02 176.58 1a4l h ARG 656 N 7.91 0.04 -0.00 2.03 3.08 -1.28 0.21 114.38 126.36 1a4l h ARG 656 Ca -0.32 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1a4l h ARG 656 Cb 1.16 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1a4l h ARG 656 CO 0.68 0.02 -0.35 -2.39 -1.07 0.00 0.00 179.97 176.87 1a4l n HIS 657 N -4.71 0.00 -3.78 3.04 1.44 -1.26 -4.48 115.22 105.47 1a4l n HIS 657 Ca 0.39 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.82 1a4l n HIS 657 Cb 1.52 -0.32 -0.12 0.00 0.12 0.00 0.00 29.99 31.20 1a4l n HIS 657 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1a4l s GLN 658 N -2.99 2.11 0.37 -1.40 -1.52 0.72 -4.92 119.66 112.04 1a4l s GLN 658 Ca 0.12 -3.07 0.27 0.00 -1.95 0.00 0.00 55.36 50.73 1a4l s GLN 658 Cb 0.18 -2.96 1.04 0.00 -0.22 0.00 0.00 33.01 31.05 1a4l s GLN 658 CO 0.65 -1.31 1.81 -1.35 -0.25 0.00 0.00 175.29 174.83 1a4l h PRO 659 N 5.44 0.00 0.00 2.91 0.11 -1.79 -2.95 132.00 135.72 1a4l h PRO 659 Ca 0.18 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.29 1a4l h PRO 659 Cb 0.79 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 1a4l h PRO 659 CO 0.64 0.00 -0.00 0.66 -0.21 0.00 0.00 178.00 179.09 1a4l h SER 660 N 0.00 0.00 0.79 -2.05 4.64 -1.92 -2.57 113.55 112.44 1a4l h SER 660 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a4l h SER 660 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1a4l h SER 660 CO 0.00 0.00 -1.15 0.79 -0.87 0.00 0.00 176.83 175.60 1a4l n TRP 661 N -3.09 0.75 -0.02 4.77 8.01 -1.11 -4.56 117.44 122.18 1a4l n TRP 661 Ca -0.01 0.22 -0.09 0.00 -1.31 0.00 0.00 57.50 56.32 1a4l n TRP 661 Cb 0.23 -0.84 -0.03 0.00 -2.01 0.00 0.00 31.31 28.67 1a4l n TRP 661 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.69 177.45 1a4l h SER 662 N 0.00 -0.33 -0.16 -0.99 0.02 -1.57 -0.86 113.55 109.67 1a4l h SER 662 Ca 0.00 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1a4l h SER 662 Cb 0.97 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 1a4l h SER 662 CO 0.00 -0.13 0.10 -0.07 -1.14 0.00 0.00 176.83 175.58 1a4l h LEU 663 N -0.09 0.20 -0.28 5.07 3.38 -1.75 -1.34 115.31 120.49 1a4l h LEU 663 Ca 0.10 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.86 1a4l h LEU 663 Cb 0.24 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1a4l h LEU 663 CO -0.23 0.16 -0.68 -0.08 0.09 0.00 0.00 178.44 177.71 1a4l h GLU 664 N 0.24 0.73 -0.74 1.13 4.81 -1.71 -2.65 114.58 116.39 1a4l h GLU 664 Ca 0.06 -0.54 0.04 0.00 -0.13 0.00 0.00 59.36 58.79 1a4l h GLU 664 Cb 0.00 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.43 1a4l h GLU 664 CO -0.01 1.16 0.45 0.28 -0.73 0.00 0.00 179.01 180.16 1a4l h VAL 665 N 0.52 1.07 -0.63 0.32 2.07 -0.11 -1.73 116.25 117.76 1a4l h VAL 665 Ca -0.02 -0.30 0.09 0.00 0.82 0.00 0.00 66.70 67.29 1a4l h VAL 665 Cb 1.29 0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 1a4l h VAL 665 CO 0.14 0.16 0.26 0.25 0.02 0.00 0.00 177.57 178.40 1a4l h LEU 666 N 0.87 0.30 -1.43 2.57 5.85 -1.04 -0.60 115.31 121.84 1a4l h LEU 666 Ca 0.31 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 59.06 1a4l h LEU 666 Cb 0.07 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1a4l h LEU 666 CO -0.13 0.18 -0.01 -0.33 -0.34 0.00 0.00 178.44 177.80 1a4l h GLU 667 N 0.46 0.36 -0.17 1.25 4.39 -1.00 -0.98 114.58 118.90 1a4l h GLU 667 Ca 0.31 -0.06 -0.18 0.00 0.34 0.00 0.00 59.36 59.77 1a4l h GLU 667 Cb 0.36 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1a4l h GLU 667 CO -0.28 0.40 -0.62 -0.07 -1.16 0.00 0.00 179.01 177.27 1a4l h LEU 668 N 0.35 0.66 -0.73 1.33 4.07 -0.54 -0.28 115.31 120.17 1a4l h LEU 668 Ca 0.08 -0.38 -0.02 0.00 0.08 0.00 0.00 57.88 57.64 1a4l h LEU 668 Cb 0.26 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 1a4l h LEU 668 CO 0.01 1.11 0.38 0.00 -1.08 0.00 0.00 178.44 178.86 1a4l h LYS 670 N 1.01 -0.17 -0.47 0.00 1.57 -1.00 -1.80 116.57 115.71 1a4l h LYS 670 Ca 0.25 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 1a4l h LYS 670 Cb 0.07 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1a4l h LYS 670 CO -0.04 0.19 0.19 -0.22 -0.57 0.00 0.00 179.45 179.00 1a4l h LYS 671 N -0.56 0.67 -0.67 3.15 3.64 -0.97 -2.91 116.57 118.92 1a4l h LYS 671 Ca -0.02 -0.09 -0.38 0.00 -1.27 0.00 0.00 60.65 58.89 1a4l h LYS 671 Cb 0.44 -0.13 -0.22 0.00 -0.41 0.00 0.00 32.23 31.91 1a4l h LYS 671 CO 0.03 0.55 0.23 0.66 -2.27 0.00 0.00 179.45 178.65 1a4l n TYR 672 N -4.36 2.12 -1.79 1.91 4.01 0.38 -4.96 117.16 114.47 1a4l n TYR 672 Ca 0.04 -1.90 -0.42 0.00 -0.16 0.00 0.00 57.90 55.46 1a4l n TYR 672 Cb 0.15 -0.75 -0.03 0.00 -0.31 0.00 0.00 39.34 38.40 1a4l n TYR 672 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1a4l s ASN 673 N -2.11 6.52 0.00 7.72 3.84 -0.68 -1.91 114.94 128.32 1a4l s ASN 673 Ca 0.52 2.55 0.00 0.00 0.21 0.00 0.00 52.86 56.14 1a4l s ASN 673 Cb 0.44 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.61 1a4l s ASN 673 CO 0.04 -1.00 0.00 0.00 -2.79 0.00 0.00 177.10 173.35 1a4l n GLN 674 N 7.01 0.00 -1.87 0.43 1.13 -0.15 -4.77 117.38 119.16 1a4l n GLN 674 Ca 0.19 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.84 1a4l n GLN 674 Cb 0.41 -3.04 -0.01 0.00 0.11 0.00 0.00 30.24 27.71 1a4l n GLN 674 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1a4l n LYS 675 N -2.00 4.14 0.00 -1.09 4.81 -0.80 -4.59 118.16 118.63 1a4l n LYS 675 Ca 0.00 -3.13 0.00 0.00 -0.87 0.00 0.00 58.31 54.31 1a4l n LYS 675 Cb 0.00 -2.75 0.00 0.00 0.02 0.00 0.00 35.03 32.30 1a4l n LYS 675 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1a4l n THR 676 N 2.60 0.00 -1.83 3.15 -2.24 -1.26 -4.92 114.28 109.78 1a4l n THR 676 Ca 0.62 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 62.00 1a4l n THR 676 Cb 0.27 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.47 1a4l n THR 676 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1a4l s VAL 677 N 0.00 3.25 -0.48 2.28 1.01 -1.12 -0.49 120.40 124.85 1a4l s VAL 677 Ca 0.00 0.21 0.19 0.00 0.00 0.00 0.00 61.98 62.39 1a4l s VAL 677 Cb 0.00 -3.45 -0.25 0.00 0.00 0.00 0.00 36.38 32.68 1a4l s VAL 677 CO 0.00 -0.36 0.63 1.33 0.00 0.00 0.00 175.10 176.70 1a4l n VAL 678 N 7.57 0.00 -3.82 2.92 0.24 0.49 -0.98 118.33 124.74 1a4l n VAL 678 Ca 0.27 -0.24 -0.06 0.00 -2.04 0.00 0.00 64.34 62.27 1a4l n VAL 678 Cb 0.50 0.55 -0.01 0.00 -1.47 0.00 0.00 33.84 33.40 1a4l n VAL 678 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1a4l s ALA 679 N -3.07 -1.31 -0.02 2.33 0.00 -1.24 -3.95 121.76 114.49 1a4l s ALA 679 Ca 0.00 -0.25 0.06 0.00 0.00 0.00 0.00 51.96 51.77 1a4l s ALA 679 Cb 0.14 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.97 1a4l s ALA 679 CO 0.80 -1.04 -0.21 1.41 0.00 0.00 0.00 175.76 176.73 1a4l s MET 680 N -3.27 2.25 0.30 0.00 1.75 -0.30 -1.59 119.30 118.44 1a4l s MET 680 Ca 0.13 -0.85 0.06 0.00 -1.25 0.00 0.00 55.69 53.78 1a4l s MET 680 Cb -0.04 -2.19 -0.06 0.00 2.84 0.00 0.00 34.83 35.38 1a4l s MET 680 CO 0.06 0.58 -0.01 0.34 -0.65 0.00 0.00 175.02 175.34 1a4l s ASP 681 N -0.77 2.71 -0.24 1.11 2.15 0.39 -1.18 116.67 120.83 1a4l s ASP 681 Ca 0.11 -1.27 -0.01 0.00 0.43 0.00 0.00 52.55 51.82 1a4l s ASP 681 Cb -0.10 -0.16 0.07 0.00 -0.30 0.00 0.00 42.92 42.43 1a4l s ASP 681 CO 0.00 -0.44 0.02 -0.22 -0.17 0.00 0.00 175.17 174.36 1a4l s LEU 682 N -3.48 2.03 0.00 -1.34 2.96 -1.19 -0.39 118.68 117.27 1a4l s LEU 682 Ca 0.32 -1.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.06 1a4l s LEU 682 Cb 0.06 -0.90 0.01 0.00 0.50 0.00 0.00 46.19 45.86 1a4l s LEU 682 CO 0.13 -0.31 0.05 0.00 -1.32 0.00 0.00 176.35 174.91 1a4l n ALA 683 N 4.84 0.24 0.00 5.97 0.00 0.06 -2.06 120.51 129.57 1a4l n ALA 683 Ca -0.08 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.36 1a4l n ALA 683 Cb 0.45 0.51 0.00 0.00 0.00 0.00 0.00 19.45 20.41 1a4l n ALA 683 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a4l n GLY 684 N 2.24 -0.34 3.53 0.00 0.00 -1.26 -0.72 105.19 108.63 1a4l n GLY 684 Ca -0.07 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 1a4l n GLY 684 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a4l s ASP 685 N -4.00 6.22 0.00 1.61 2.15 -1.26 -4.88 116.67 116.51 1a4l s ASP 685 Ca 0.00 -0.50 0.16 0.00 0.43 0.00 0.00 52.55 52.64 1a4l s ASP 685 Cb 0.00 -2.51 0.79 0.00 -0.30 0.00 0.00 42.92 40.90 1a4l s ASP 685 CO 0.00 -1.62 1.47 1.21 -0.17 0.00 0.00 175.17 176.06 1a4l n GLU 686 N 8.60 0.19 0.00 4.34 2.13 -1.26 -2.67 120.64 131.97 1a4l n GLU 686 Ca 0.02 0.15 0.14 0.00 0.66 0.00 0.00 57.16 58.13 1a4l n GLU 686 Cb 0.48 -1.50 0.59 0.00 0.27 0.00 0.00 31.44 31.28 1a4l n GLU 686 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1a4l n THR 687 N -1.32 0.00 -2.26 6.31 -2.24 -1.26 -4.68 114.28 108.82 1a4l n THR 687 Ca 0.07 -0.01 -0.39 0.00 -2.27 0.00 0.00 64.05 61.45 1a4l n THR 687 Cb 0.14 -0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.01 1a4l n THR 687 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1a4l s ILE 688 N -2.84 3.52 -0.38 2.28 1.01 -1.09 -4.90 121.20 118.81 1a4l s ILE 688 Ca 0.19 0.23 -0.37 0.00 0.00 0.00 0.00 60.65 60.70 1a4l s ILE 688 Cb 0.19 -4.37 -0.16 0.00 0.01 0.00 0.00 42.46 38.13 1a4l s ILE 688 CO 0.53 -1.33 1.24 -0.62 0.00 0.00 0.00 174.94 174.77 1a4l n GLU 689 N 9.24 0.00 -1.98 2.79 -0.58 -1.26 -0.86 120.64 127.99 1a4l n GLU 689 Ca 0.15 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.68 1a4l n GLU 689 Cb 0.51 -1.18 -0.05 0.00 -0.57 0.00 0.00 31.44 30.15 1a4l n GLU 689 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a4l n GLY 690 N 3.07 0.76 0.20 0.62 0.00 -1.26 -4.88 105.19 103.70 1a4l n GLY 690 Ca 0.24 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.31 1a4l n GLY 690 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1a4l h SER 691 N 0.00 0.00 0.24 1.61 4.64 -1.36 -2.71 113.55 115.96 1a4l h SER 691 Ca -0.45 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.85 1a4l h SER 691 Cb 1.34 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1a4l h SER 691 CO 0.59 0.31 -0.09 0.28 -0.87 0.00 0.00 176.83 177.05 1a4l h SER 692 N 0.00 0.00 -0.62 4.97 0.02 -1.90 -2.75 113.55 113.27 1a4l h SER 692 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1a4l h SER 692 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1a4l h SER 692 CO 0.04 0.09 0.00 0.18 -1.14 0.00 0.00 176.83 176.00 1a4l n LEU 693 N -3.79 4.39 -4.74 5.07 4.32 -1.02 -4.45 117.00 116.78 1a4l n LEU 693 Ca -0.02 -2.34 -0.42 0.00 -0.02 0.00 0.00 56.01 53.21 1a4l n LEU 693 Cb 0.19 -0.53 -0.02 0.00 -1.62 0.00 0.00 43.42 41.45 1a4l n LEU 693 CO 0.30 0.84 1.20 -0.36 -1.22 0.00 0.00 177.39 178.15 1a4l s PHE 694 N -1.64 2.92 0.19 -1.77 0.08 -1.04 -4.72 117.98 112.00 1a4l s PHE 694 Ca 0.48 0.81 -0.16 0.00 0.12 0.00 0.00 56.93 58.18 1a4l s PHE 694 Cb 0.30 -3.96 0.17 0.00 -0.57 0.00 0.00 43.02 38.96 1a4l s PHE 694 CO 0.25 -3.27 1.32 -2.30 -0.10 0.00 0.00 175.22 171.12 1a4l n PRO 695 N 2.67 -0.22 -0.28 0.24 -0.02 -1.26 -0.07 135.00 136.07 1a4l n PRO 695 Ca 0.09 1.31 0.08 0.00 -2.02 0.00 0.00 63.50 62.96 1a4l n PRO 695 Cb 0.38 -1.94 0.32 0.00 -0.02 0.00 0.00 33.50 32.24 1a4l n PRO 695 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1a4l h GLY 696 N 0.00 1.26 0.48 -1.23 0.00 -1.90 0.17 103.07 101.85 1a4l h GLY 696 Ca 0.28 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1a4l h GLY 696 CO -0.84 0.18 -0.04 0.45 0.00 0.00 0.00 176.54 176.29 1a4l h HIS 697 N 0.84 -0.10 -0.18 5.60 3.86 -0.69 -2.91 115.15 121.57 1a4l h HIS 697 Ca 0.42 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.65 1a4l h HIS 697 Cb 0.47 0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.94 1a4l h HIS 697 CO -0.00 0.37 -0.01 0.28 0.86 0.00 0.00 177.93 179.44 1a4l h VAL 698 N -0.62 0.87 -0.51 2.45 2.07 -0.75 -2.05 116.25 117.71 1a4l h VAL 698 Ca -0.01 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.58 1a4l h VAL 698 Cb 0.52 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1a4l h VAL 698 CO 0.02 0.01 0.35 -0.33 0.02 0.00 0.00 177.57 177.64 1a4l h GLU 699 N 0.05 0.31 0.01 1.57 5.08 -0.76 -0.86 114.58 119.98 1a4l h GLU 699 Ca 0.08 -0.02 -0.26 0.00 -1.00 0.00 0.00 59.36 58.16 1a4l h GLU 699 Cb 0.11 -0.07 0.02 0.00 0.50 0.00 0.00 28.75 29.30 1a4l h GLU 699 CO -0.15 0.20 -1.04 0.00 -1.00 0.00 0.00 179.01 177.02 1a4l h ALA 700 N 1.74 0.17 -0.17 3.43 0.00 -1.21 -2.10 119.26 121.12 1a4l h ALA 700 Ca 0.24 -0.71 -0.17 0.00 0.00 0.00 0.00 54.91 54.27 1a4l h ALA 700 Cb 0.52 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1a4l h ALA 700 CO -0.05 0.73 -0.55 1.88 0.00 0.00 0.00 179.25 181.25 1a4l h TYR 701 N 0.34 0.88 -0.45 0.00 -1.99 -0.72 -1.16 116.97 113.88 1a4l h TYR 701 Ca -0.12 -0.36 -0.02 0.00 2.00 0.00 0.00 58.73 60.23 1a4l h TYR 701 Cb 1.70 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 40.25 1a4l h TYR 701 CO 0.09 1.15 0.19 0.93 -0.00 0.00 0.00 178.16 180.53 1a4l h GLU 702 N 0.36 0.63 -0.27 4.88 5.08 -1.27 0.89 114.58 124.87 1a4l h GLU 702 Ca -0.02 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.15 1a4l h GLU 702 Cb 1.17 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1a4l h GLU 702 CO 0.12 0.51 -0.30 0.78 -1.00 0.00 0.00 179.01 179.12 1a4l h GLY 703 N 0.77 0.61 2.00 -3.84 0.00 -1.21 -1.94 103.07 99.44 1a4l h GLY 703 Ca 0.16 -0.53 -0.12 0.00 0.00 0.00 0.00 47.33 46.83 1a4l h GLY 703 CO -0.02 0.49 -0.56 0.00 0.00 0.00 0.00 176.54 176.44 1a4l h ALA 704 N 1.20 0.92 -0.13 3.60 0.00 0.19 -1.74 119.26 123.29 1a4l h ALA 704 Ca 0.06 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1a4l h ALA 704 Cb 0.76 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1a4l h ALA 704 CO 0.06 0.71 -0.06 0.28 0.00 0.00 0.00 179.25 180.24 1a4l h VAL 705 N 0.00 1.31 0.00 0.00 2.07 -0.51 -0.08 116.25 119.04 1a4l h VAL 705 Ca -0.01 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 1a4l h VAL 705 Cb 1.10 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1a4l h VAL 705 CO 0.07 0.31 -0.02 0.50 0.02 0.00 0.00 177.57 178.46 1a4l h LYS 706 N -0.07 0.00 -0.02 1.57 3.64 -1.28 -3.21 116.57 117.21 1a4l h LYS 706 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1a4l h LYS 706 Cb 0.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1a4l h LYS 706 CO 0.02 0.02 -0.02 0.09 -2.27 0.00 0.00 179.45 177.29 1a4l n ASN 707 N -3.11 2.20 0.00 4.20 5.03 -0.66 -5.00 115.26 117.91 1a4l n ASN 707 Ca 0.01 -1.60 0.00 0.00 0.87 0.00 0.00 54.58 53.87 1a4l n ASN 707 Cb 0.36 0.03 0.00 0.00 -1.02 0.00 0.00 39.78 39.15 1a4l n ASN 707 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1a4l n GLY 708 N 0.85 0.51 3.74 7.41 0.00 -0.38 -5.03 105.19 112.30 1a4l n GLY 708 Ca 0.09 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 1a4l n GLY 708 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a4l s ILE 709 N -2.00 4.86 0.69 -0.61 -1.09 -0.18 -5.04 121.20 117.83 1a4l s ILE 709 Ca 0.00 1.47 -0.14 0.00 -2.23 0.00 0.00 60.65 59.75 1a4l s ILE 709 Cb 0.00 -4.04 0.02 0.00 -1.58 0.00 0.00 42.46 36.86 1a4l s ILE 709 CO 0.00 0.35 1.11 -1.00 -1.23 0.00 0.00 174.94 174.18 1a4l s HIS 710 N 0.10 2.57 0.01 3.97 3.76 -1.25 -4.44 115.29 120.00 1a4l s HIS 710 Ca 0.36 1.56 0.03 0.00 -0.15 0.00 0.00 55.06 56.86 1a4l s HIS 710 Cb -0.19 -3.16 -0.01 0.00 1.11 0.00 0.00 32.58 30.33 1a4l s HIS 710 CO 0.20 -1.77 -0.10 1.03 -0.85 0.00 0.00 174.74 173.25 1a4l s ARG 711 N -4.27 0.73 -0.04 1.40 0.52 -1.26 -1.15 118.95 114.88 1a4l s ARG 711 Ca 0.66 -0.46 -0.10 0.00 -0.52 0.00 0.00 55.73 55.32 1a4l s ARG 711 Cb -0.20 -0.69 0.02 0.00 0.52 0.00 0.00 34.95 34.59 1a4l s ARG 711 CO 0.45 0.18 0.22 -0.08 0.02 0.00 0.00 175.30 176.09 1a4l s THR 712 N -0.48 0.05 -0.09 0.02 -1.32 -0.33 -1.40 115.64 112.09 1a4l s THR 712 Ca 0.01 -0.37 -0.06 0.00 -1.21 0.00 0.00 61.69 60.06 1a4l s THR 712 Cb -0.05 -0.44 0.03 0.00 -1.51 0.00 0.00 72.50 70.53 1a4l s THR 712 CO 0.00 -0.21 0.22 -0.69 -2.21 0.00 0.00 174.62 171.74 1a4l s VAL 713 N -0.80 -0.02 0.02 5.08 1.01 -1.12 -3.19 120.40 121.38 1a4l s VAL 713 Ca -0.09 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 1a4l s VAL 713 Cb -0.05 -0.33 -0.05 0.00 0.00 0.00 0.00 36.38 35.95 1a4l s VAL 713 CO 0.02 0.03 1.20 -1.00 0.00 0.00 0.00 175.10 175.35 1a4l s HIS 714 N 0.69 3.33 -0.11 5.22 3.76 -0.87 0.17 115.29 127.48 1a4l s HIS 714 Ca -0.05 1.26 -0.30 0.00 -0.15 0.00 0.00 55.06 55.83 1a4l s HIS 714 Cb -0.06 -3.42 0.08 0.00 1.11 0.00 0.00 32.58 30.28 1a4l s HIS 714 CO -0.04 -1.31 0.72 0.00 -0.85 0.00 0.00 174.74 173.26 1a4l s ALA 715 N 1.50 -1.79 -0.51 -1.40 0.00 -0.77 -4.86 121.76 113.93 1a4l s ALA 715 Ca 0.58 1.49 0.00 0.00 0.00 0.00 0.00 51.96 54.03 1a4l s ALA 715 Cb -0.28 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1a4l s ALA 715 CO 0.27 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1a4l n GLY 716 N 1.27 0.55 0.05 0.00 0.00 -1.26 -0.15 105.19 105.66 1a4l n GLY 716 Ca -0.17 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 1a4l n GLY 716 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1a4l h GLU 717 N 0.14 -0.00 0.00 1.61 4.81 -1.91 -1.89 114.58 117.35 1a4l h GLU 717 Ca -0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1a4l h GLU 717 Cb 0.89 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1a4l h GLU 717 CO 0.14 0.47 -0.01 1.55 -0.73 0.00 0.00 179.01 180.44 1a4l n VAL 718 N -4.86 0.00 -2.85 0.32 3.14 -1.26 -4.53 118.33 108.28 1a4l n VAL 718 Ca -0.08 -0.17 -0.17 0.00 -2.96 0.00 0.00 64.34 60.96 1a4l n VAL 718 Cb 0.24 0.97 0.07 0.00 -1.06 0.00 0.00 33.84 34.07 1a4l n VAL 718 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1a4l n GLY 719 N 0.37 1.48 3.90 7.55 0.00 -1.26 -5.04 105.19 112.20 1a4l n GLY 719 Ca 0.00 -2.14 -0.29 0.00 0.00 0.00 0.00 46.02 43.59 1a4l n GLY 719 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a4l s SER 720 N -4.01 5.10 0.61 1.61 1.04 -1.26 -4.37 113.70 112.42 1a4l s SER 720 Ca 0.50 0.90 0.28 0.00 0.48 0.00 0.00 55.95 58.11 1a4l s SER 720 Cb -0.04 -1.61 1.45 0.00 0.10 0.00 0.00 66.02 65.92 1a4l s SER 720 CO 0.32 -1.52 1.85 1.55 0.98 0.00 0.00 173.24 176.43 1a4l h PRO 721 N -0.72 0.00 -0.82 4.02 0.13 -1.92 -1.56 132.00 131.13 1a4l h PRO 721 Ca -0.45 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.82 1a4l h PRO 721 Cb 1.28 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.35 1a4l h PRO 721 CO 0.64 0.00 0.54 0.93 -0.23 0.00 0.00 178.00 179.88 1a4l h GLU 722 N 0.00 0.53 -0.17 0.86 3.07 -1.94 0.41 114.58 117.35 1a4l h GLU 722 Ca 0.17 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.87 1a4l h GLU 722 Cb 1.16 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.94 1a4l h GLU 722 CO -0.00 0.35 -0.45 0.28 -1.40 0.00 0.00 179.01 177.79 1a4l h VAL 723 N 0.55 1.32 -0.27 3.13 2.07 -1.65 0.11 116.25 121.51 1a4l h VAL 723 Ca 0.41 -1.64 -0.15 0.00 0.82 0.00 0.00 66.70 66.15 1a4l h VAL 723 Cb 0.79 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1a4l h VAL 723 CO -0.16 0.50 -0.40 0.58 0.02 0.00 0.00 177.57 178.11 1a4l h VAL 724 N 0.34 1.30 -0.61 2.57 2.07 -1.15 -1.80 116.25 118.97 1a4l h VAL 724 Ca 0.02 -1.59 -0.04 0.00 0.82 0.00 0.00 66.70 65.91 1a4l h VAL 724 Cb 0.93 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 1a4l h VAL 724 CO 0.08 0.51 0.21 -0.09 0.02 0.00 0.00 177.57 178.30 1a4l h ARG 725 N 0.50 0.94 -0.71 1.57 2.43 -0.63 0.13 114.38 118.61 1a4l h ARG 725 Ca 0.03 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 58.94 1a4l h ARG 725 Cb 1.00 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.38 1a4l h ARG 725 CO 0.09 0.82 0.19 0.93 -1.51 0.00 0.00 179.97 180.50 1a4l h GLU 726 N 0.86 1.12 -0.42 0.20 5.08 -0.78 0.25 114.58 120.89 1a4l h GLU 726 Ca 0.20 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1a4l h GLU 726 Cb 0.26 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1a4l h GLU 726 CO -0.01 0.98 0.02 0.00 -1.00 0.00 0.00 179.01 179.00 1a4l h ALA 727 N 1.09 0.56 0.03 3.43 0.00 -0.71 0.48 119.26 124.15 1a4l h ALA 727 Ca 0.22 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1a4l h ALA 727 Cb 0.34 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1a4l h ALA 727 CO -0.00 0.33 -0.28 0.28 0.00 0.00 0.00 179.25 179.58 1a4l h VAL 728 N 0.57 1.61 0.10 0.00 2.07 -0.68 -0.21 116.25 119.71 1a4l h VAL 728 Ca 0.12 -2.16 -0.16 0.00 0.82 0.00 0.00 66.70 65.32 1a4l h VAL 728 Cb 0.45 3.03 0.02 0.00 -1.52 0.00 0.00 31.29 33.26 1a4l h VAL 728 CO 0.02 0.59 -0.69 0.44 0.02 0.00 0.00 177.57 177.94 1a4l h ASP 729 N -0.62 0.44 0.00 0.57 3.32 -0.58 -2.98 116.42 116.57 1a4l h ASP 729 Ca -0.04 -0.91 -0.13 0.00 0.02 0.00 0.00 57.03 55.97 1a4l h ASP 729 Cb 1.11 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 1a4l h ASP 729 CO 0.05 1.31 -0.99 -0.38 -1.72 0.00 0.00 179.24 177.51 1a4l n ILE 730 N -4.19 1.48 0.34 0.35 2.08 0.03 -4.45 119.36 115.00 1a4l n ILE 730 Ca -0.13 0.07 0.14 0.00 0.56 0.00 0.00 62.75 63.39 1a4l n ILE 730 Cb 0.75 -2.20 0.47 0.00 -0.75 0.00 0.00 39.64 37.92 1a4l n ILE 730 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1a4l h LEU 731 N -1.00 0.00 -2.21 1.39 4.07 -1.20 -3.46 115.31 112.91 1a4l h LEU 731 Ca -0.20 0.00 -0.35 0.00 0.08 0.00 0.00 57.88 57.41 1a4l h LEU 731 Cb 0.96 0.00 0.13 0.00 1.08 0.00 0.00 40.66 42.83 1a4l h LEU 731 CO -0.12 0.00 -0.85 0.29 -1.08 0.00 0.00 178.44 176.68 1a4l n LYS 732 N -2.79 -3.82 -2.04 1.13 4.76 -0.31 -4.69 118.16 110.40 1a4l n LYS 732 Ca 0.03 0.72 -0.33 0.00 -2.87 0.00 0.00 58.31 55.85 1a4l n LYS 732 Cb 0.37 -5.35 0.01 0.00 -1.84 0.00 0.00 35.03 28.22 1a4l n LYS 732 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1a4l s THR 733 N -3.48 3.64 -0.50 -0.18 -4.23 -0.24 -4.81 115.64 105.83 1a4l s THR 733 Ca 0.22 0.81 0.22 0.00 -1.18 0.00 0.00 61.69 61.76 1a4l s THR 733 Cb -0.05 -3.32 -0.28 0.00 1.34 0.00 0.00 72.50 70.20 1a4l s THR 733 CO 0.78 -0.43 0.70 -0.62 -0.54 0.00 0.00 174.62 174.51 1a4l n GLU 734 N -1.98 0.34 -3.83 3.99 1.02 -0.49 -4.83 120.64 114.86 1a4l n GLU 734 Ca 0.09 -0.10 -0.10 0.00 -0.02 0.00 0.00 57.16 57.03 1a4l n GLU 734 Cb 0.52 -1.52 -0.08 0.00 -0.02 0.00 0.00 31.44 30.35 1a4l n GLU 734 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1a4l s ARG 735 N -3.27 0.78 -0.14 3.49 0.52 -1.20 -4.13 118.95 115.00 1a4l s ARG 735 Ca -0.00 -0.73 0.02 0.00 -0.52 0.00 0.00 55.73 54.50 1a4l s ARG 735 Cb 0.15 0.32 0.01 0.00 0.52 0.00 0.00 34.95 35.95 1a4l s ARG 735 CO 0.89 -0.24 -0.21 0.08 0.02 0.00 0.00 175.30 175.83 1a4l s VAL 736 N -3.06 2.00 -0.32 3.52 1.01 -0.34 -2.81 120.40 120.39 1a4l s VAL 736 Ca -0.01 -0.94 -0.28 0.00 0.00 0.00 0.00 61.98 60.75 1a4l s VAL 736 Cb 0.01 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.63 1a4l s VAL 736 CO -0.07 0.54 1.00 -0.83 0.00 0.00 0.00 175.10 175.74 1a4l s GLY 737 N 0.84 1.59 0.00 4.51 0.00 0.13 -0.54 107.32 113.84 1a4l s GLY 737 Ca -0.07 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.48 1a4l s GLY 737 CO -0.02 2.14 0.00 1.42 0.00 0.00 0.00 173.10 176.64 1a4l n HIS 738 N 6.73 0.00 -3.00 1.90 8.25 0.17 -1.84 115.22 127.43 1a4l n HIS 738 Ca 0.10 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.34 1a4l n HIS 738 Cb 0.47 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.62 1a4l n HIS 738 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1a4l n GLY 739 N 0.00 -0.48 0.23 -1.41 0.00 0.79 -4.53 105.19 99.79 1a4l n GLY 739 Ca 0.00 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.23 1a4l n GLY 739 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1a4l h TYR 740 N -1.36 0.00 -0.01 1.61 0.05 -1.58 -2.87 116.97 112.80 1a4l h TYR 740 Ca -0.52 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.26 1a4l h TYR 740 Cb 1.36 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.10 1a4l h TYR 740 CO 0.51 0.18 -0.10 0.72 -1.05 0.00 0.00 178.16 178.41 1a4l n HIS 741 N -3.32 0.00 -0.33 4.88 8.25 -0.99 -3.98 115.22 119.72 1a4l n HIS 741 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 1a4l n HIS 741 Cb 0.41 -0.07 0.19 0.00 1.12 0.00 0.00 29.99 31.65 1a4l n HIS 741 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1a4l h THR 742 N 1.60 1.13 0.00 1.59 2.02 -1.78 -1.00 112.91 116.46 1a4l h THR 742 Ca 0.00 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1a4l h THR 742 Cb 0.46 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1a4l h THR 742 CO 0.00 0.21 0.00 2.30 0.37 0.00 0.00 175.52 178.40 1a4l n ILE 743 N -4.46 1.52 1.40 3.11 -5.35 -1.26 -1.87 119.36 112.45 1a4l n ILE 743 Ca 0.13 0.40 0.14 0.00 -0.27 0.00 0.00 62.75 63.15 1a4l n ILE 743 Cb 0.14 -1.29 0.72 0.00 -1.74 0.00 0.00 39.64 37.47 1a4l n ILE 743 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1a4l n GLU 744 N -1.54 0.49 -3.74 6.28 1.02 -0.38 -3.72 120.64 119.05 1a4l n GLU 744 Ca 0.01 0.02 -0.29 0.00 -0.02 0.00 0.00 57.16 56.89 1a4l n GLU 744 Cb 0.08 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.87 1a4l n GLU 744 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1a4l s ASP 745 N -2.46 3.68 0.23 1.62 -1.08 -0.78 -5.00 116.67 112.88 1a4l s ASP 745 Ca 0.29 -3.10 -0.17 0.00 -0.52 0.00 0.00 52.55 49.05 1a4l s ASP 745 Cb 0.19 -1.17 0.24 0.00 -1.46 0.00 0.00 42.92 40.71 1a4l s ASP 745 CO 0.40 -0.19 1.55 -0.33 0.52 0.00 0.00 175.17 177.12 1a4l h GLU 746 N 6.14 -0.01 -0.18 4.34 4.39 -1.79 0.60 114.58 128.07 1a4l h GLU 746 Ca 0.07 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.83 1a4l h GLU 746 Cb 0.87 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.46 1a4l h GLU 746 CO 0.55 -0.01 -0.21 0.00 -1.16 0.00 0.00 179.01 178.19 1a4l h ALA 747 N 1.38 -0.12 -0.77 3.43 0.00 -1.93 0.13 119.26 121.37 1a4l h ALA 747 Ca 0.34 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 1a4l h ALA 747 Cb 0.60 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1a4l h ALA 747 CO -0.98 -0.65 0.34 1.25 0.00 0.00 0.00 179.25 179.22 1a4l h LEU 748 N -0.24 1.03 0.79 0.00 5.85 -1.55 0.12 115.31 121.31 1a4l h LEU 748 Ca 0.12 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 1a4l h LEU 748 Cb 0.41 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 41.19 1a4l h LEU 748 CO -0.32 0.90 -0.38 0.22 -0.34 0.00 0.00 178.44 178.52 1a4l h TYR 749 N 1.10 -0.98 -0.96 1.25 3.20 -0.30 0.27 116.97 120.55 1a4l h TYR 749 Ca 0.26 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.21 1a4l h TYR 749 Cb 0.16 0.32 -0.07 0.00 1.54 0.00 0.00 36.73 38.68 1a4l h TYR 749 CO 0.01 -0.61 0.61 -0.91 -1.64 0.00 0.00 178.16 175.63 1a4l h ASN 750 N -1.07 0.90 -0.19 -2.11 -0.26 -0.62 0.42 115.58 112.65 1a4l h ASN 750 Ca -0.11 0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.65 1a4l h ASN 750 Cb 0.81 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.91 1a4l h ASN 750 CO 0.18 0.52 0.08 -0.09 -1.06 0.00 0.00 177.43 177.06 1a4l h ARG 751 N 0.99 0.29 0.00 0.81 2.43 -0.53 0.21 114.38 118.58 1a4l h ARG 751 Ca 0.45 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.52 1a4l h ARG 751 Cb 0.39 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1a4l h ARG 751 CO -0.21 0.36 -0.20 -0.07 -1.51 0.00 0.00 179.97 178.34 1a4l h LEU 752 N 0.16 0.00 0.23 3.80 4.07 -0.26 -1.37 115.31 121.94 1a4l h LEU 752 Ca 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 1a4l h LEU 752 Cb 0.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.92 1a4l h LEU 752 CO -0.01 0.20 -0.11 0.25 -1.08 0.00 0.00 178.44 177.70 1a4l h LEU 753 N 0.00 -0.26 -2.17 1.67 5.85 -0.14 -1.77 115.31 118.48 1a4l h LEU 753 Ca -0.00 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.57 1a4l h LEU 753 Cb 0.38 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1a4l h LEU 753 CO 0.03 0.09 0.20 0.50 -0.34 0.00 0.00 178.44 178.92 1a4l h LYS 754 N -0.65 0.00 -0.64 1.25 3.64 -0.08 0.13 116.57 120.23 1a4l h LYS 754 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1a4l h LYS 754 Cb 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1a4l h LYS 754 CO 0.05 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.62 1a4l n GLU 755 N -3.97 3.40 -4.08 1.90 1.02 -0.56 -4.95 120.64 113.39 1a4l n GLU 755 Ca 0.02 -2.40 -0.31 0.00 -0.02 0.00 0.00 57.16 54.45 1a4l n GLU 755 Cb 0.34 -1.84 -0.04 0.00 -0.02 0.00 0.00 31.44 29.88 1a4l n GLU 755 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1a4l n ASN 756 N 0.86 -0.73 -4.76 1.62 4.05 0.03 -4.90 115.26 111.42 1a4l n ASN 756 Ca 0.22 -1.15 -0.39 0.00 0.45 0.00 0.00 54.58 53.71 1a4l n ASN 756 Cb 0.80 -2.36 -0.05 0.00 1.23 0.00 0.00 39.78 39.39 1a4l n ASN 756 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 177.26 173.89 1a4l s MET 757 N -6.93 4.68 -0.22 1.20 -2.45 -0.69 -4.97 119.30 109.92 1a4l s MET 757 Ca 0.10 1.58 -0.15 0.00 -1.25 0.00 0.00 55.69 55.97 1a4l s MET 757 Cb -0.05 -3.12 -0.04 0.00 1.25 0.00 0.00 34.83 32.88 1a4l s MET 757 CO 0.94 0.32 0.37 -1.58 1.05 0.00 0.00 175.02 176.12 1a4l s HIS 758 N -1.28 3.33 -0.24 4.11 2.46 -1.26 -4.17 115.29 118.25 1a4l s HIS 758 Ca 0.45 0.53 -0.08 0.00 0.47 0.00 0.00 55.06 56.43 1a4l s HIS 758 Cb -0.27 -2.52 -0.04 0.00 -0.13 0.00 0.00 32.58 29.62 1a4l s HIS 758 CO 0.34 -0.07 0.09 -0.06 -2.47 0.00 0.00 174.74 172.57 1a4l s PHE 759 N 1.52 3.16 -0.81 3.88 0.40 -0.06 -1.20 117.98 124.86 1a4l s PHE 759 Ca 0.17 -0.17 -0.22 0.00 -0.60 0.00 0.00 56.93 56.11 1a4l s PHE 759 Cb -0.15 -2.23 0.08 0.00 0.51 0.00 0.00 43.02 41.24 1a4l s PHE 759 CO 0.08 -0.18 1.12 -1.21 0.70 0.00 0.00 175.22 175.73 1a4l s GLU 760 N 1.32 3.35 0.13 0.44 2.02 0.29 -1.60 118.70 124.65 1a4l s GLU 760 Ca 0.06 -1.13 -0.21 0.00 0.02 0.00 0.00 54.97 53.70 1a4l s GLU 760 Cb -0.15 -4.61 -0.07 0.00 0.10 0.00 0.00 34.13 29.40 1a4l s GLU 760 CO 0.05 -1.89 0.66 0.08 0.02 0.00 0.00 175.26 174.18 1a4l s VAL 761 N 3.89 4.59 -0.38 2.63 1.01 -0.33 -0.66 120.40 131.15 1a4l s VAL 761 Ca 0.30 1.37 0.01 0.00 0.00 0.00 0.00 61.98 63.66 1a4l s VAL 761 Cb -0.10 -3.96 0.14 0.00 0.00 0.00 0.00 36.38 32.46 1a4l s VAL 761 CO 0.01 0.47 0.23 0.00 0.00 0.00 0.00 175.10 175.81 1a4l h PRO 763 N 6.86 -0.76 -0.14 0.00 0.11 -1.92 -2.05 132.00 134.09 1a4l h PRO 763 Ca 0.05 0.05 0.05 0.00 0.11 0.00 0.00 66.00 66.26 1a4l h PRO 763 Cb 0.95 0.17 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 1a4l h PRO 763 CO 0.33 -0.51 -0.21 2.35 -0.21 0.00 0.00 178.00 179.76 1a4l h TRP 764 N -0.79 -0.54 -0.47 0.65 -0.00 -1.90 -2.75 115.95 110.15 1a4l h TRP 764 Ca -0.07 0.03 0.05 0.00 -0.00 0.00 0.00 58.89 58.91 1a4l h TRP 764 Cb 0.64 0.26 -0.08 0.00 -0.00 0.00 0.00 29.16 29.98 1a4l h TRP 764 CO -0.07 -0.29 -0.54 1.03 -0.00 0.00 0.00 178.44 178.57 1a4l h SER 765 N -0.26 -1.84 -0.51 2.65 0.87 -1.83 -0.45 113.55 112.19 1a4l h SER 765 Ca 0.10 0.25 0.15 0.00 -1.23 0.00 0.00 61.79 61.06 1a4l h SER 765 Cb 0.41 0.76 -0.02 0.00 -0.44 0.00 0.00 62.40 63.11 1a4l h SER 765 CO -0.29 -0.37 0.65 0.77 -0.53 0.00 0.00 176.83 177.06 1a4l h SER 766 N -0.34 0.00 0.00 6.23 4.64 -1.07 0.00 113.55 123.02 1a4l h SER 766 Ca 0.08 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1a4l h SER 766 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1a4l h SER 766 CO -0.62 0.00 -0.00 0.22 -0.87 0.00 0.00 176.83 175.56 1a4l h TYR 767 N 0.00 -0.01 -0.29 4.77 3.20 -0.98 0.28 116.97 123.94 1a4l h TYR 767 Ca 0.24 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.01 1a4l h TYR 767 Cb 1.55 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.80 1a4l h TYR 767 CO 0.00 0.87 -0.24 -0.07 -1.64 0.00 0.00 178.16 177.08 1a4l h LEU 768 N -0.96 0.57 -0.46 2.82 -0.00 -0.82 -2.03 115.31 114.42 1a4l h LEU 768 Ca -0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 57.88 57.69 1a4l h LEU 768 Cb 0.88 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.38 1a4l h LEU 768 CO 0.00 0.80 0.00 0.71 -0.00 0.00 0.00 178.44 179.95 1a4l h THR 769 N 0.50 0.00 0.00 0.22 1.35 -1.38 -0.03 112.91 113.57 1a4l h THR 769 Ca 0.07 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1a4l h THR 769 Cb 0.68 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1a4l h THR 769 CO 0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 1a4l n GLY 770 N 0.69 0.50 0.34 5.82 0.00 -0.76 -3.03 105.19 108.74 1a4l n GLY 770 Ca 0.03 -0.48 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 1a4l n GLY 770 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a4l h ALA 771 N 0.00 1.17 -3.18 4.61 0.00 -0.80 -3.40 119.26 117.65 1a4l h ALA 771 Ca 0.00 -0.17 -0.64 0.00 0.00 0.00 0.00 54.91 54.10 1a4l h ALA 771 Cb 0.00 -0.30 -0.24 0.00 0.00 0.00 0.00 17.79 17.25 1a4l h ALA 771 CO 0.00 0.62 -0.68 -0.46 0.00 0.00 0.00 179.25 178.73 1a4l s TRP 772 N -5.57 3.00 -0.39 0.00 -0.00 0.11 -4.82 118.94 111.27 1a4l s TRP 772 Ca -0.12 -0.49 -0.29 0.00 -0.00 0.00 0.00 56.10 55.21 1a4l s TRP 772 Cb 0.16 -2.02 0.02 0.00 -0.00 0.00 0.00 33.47 31.63 1a4l s TRP 772 CO 0.82 -0.21 1.19 0.34 -0.00 0.00 0.00 176.95 179.09 1a4l s ASP 773 N 0.78 6.68 0.57 5.86 -1.08 -1.26 -4.64 116.67 123.58 1a4l s ASP 773 Ca -0.01 0.81 0.28 0.00 -0.52 0.00 0.00 52.55 53.11 1a4l s ASP 773 Cb -0.14 -2.54 1.50 0.00 -1.46 0.00 0.00 42.92 40.27 1a4l s ASP 773 CO 0.02 -1.15 1.97 1.55 0.52 0.00 0.00 175.17 178.08 1a4l h PRO 774 N 9.14 0.00 0.00 4.34 0.13 -1.96 0.60 132.00 144.25 1a4l h PRO 774 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1a4l h PRO 774 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1a4l h PRO 774 CO 1.08 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.48 1a4l n LYS 775 N -3.92 0.16 -4.11 0.86 5.02 -1.26 -4.74 118.16 110.18 1a4l n LYS 775 Ca 0.08 0.42 -0.22 0.00 -2.02 0.00 0.00 58.31 56.56 1a4l n LYS 775 Cb 0.59 -1.83 -0.05 0.00 -0.02 0.00 0.00 35.03 33.72 1a4l n LYS 775 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1a4l s THR 776 N -3.29 4.05 0.06 -0.18 -4.23 0.20 -5.09 115.64 107.16 1a4l s THR 776 Ca 0.04 -1.51 -0.31 0.00 -1.18 0.00 0.00 61.69 58.73 1a4l s THR 776 Cb 0.09 -3.24 -0.06 0.00 1.34 0.00 0.00 72.50 70.63 1a4l s THR 776 CO 0.36 -0.32 1.19 0.28 -0.54 0.00 0.00 174.62 175.58 1a4l s THR 777 N -2.21 4.06 0.28 3.99 -1.32 -1.26 -4.88 115.64 114.31 1a4l s THR 777 Ca 0.34 1.49 -0.30 0.00 -1.21 0.00 0.00 61.69 62.01 1a4l s THR 777 Cb -0.07 -3.95 -0.13 0.00 -1.51 0.00 0.00 72.50 66.84 1a4l s THR 777 CO 0.24 0.12 1.43 1.57 -2.21 0.00 0.00 174.62 175.77 1a4l n HIS 778 N 3.90 2.40 -0.02 9.09 -0.00 -1.26 -4.87 115.22 124.46 1a4l n HIS 778 Ca 0.09 0.42 0.13 0.00 0.46 0.00 0.00 57.72 58.81 1a4l n HIS 778 Cb 0.47 -2.49 0.55 0.00 -0.12 0.00 0.00 29.99 28.40 1a4l n HIS 778 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1a4l h ALA 779 N 3.89 2.10 -0.08 1.57 0.00 -1.93 -0.38 119.26 124.42 1a4l h ALA 779 Ca -0.46 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.46 1a4l h ALA 779 Cb 1.26 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1a4l h ALA 779 CO 0.73 -0.21 0.12 -0.24 0.00 0.00 0.00 179.25 179.64 1a4l h VAL 780 N 0.28 0.38 -0.23 0.00 3.04 -1.96 -0.65 116.25 117.12 1a4l h VAL 780 Ca 0.23 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.88 1a4l h VAL 780 Cb 0.54 0.90 -0.01 0.00 -2.01 0.00 0.00 31.29 30.71 1a4l h VAL 780 CO -0.05 0.00 -0.03 0.58 -1.01 0.00 0.00 177.57 177.06 1a4l h VAL 781 N 0.00 1.27 -0.49 1.51 2.07 -1.42 0.26 116.25 119.45 1a4l h VAL 781 Ca 0.04 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1a4l h VAL 781 Cb 0.27 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1a4l h VAL 781 CO -0.00 0.30 0.25 -0.09 0.02 0.00 0.00 177.57 178.05 1a4l h ARG 782 N 0.16 0.69 -0.95 1.57 9.65 -1.29 0.03 114.38 124.24 1a4l h ARG 782 Ca 0.06 -0.09 0.08 0.00 -1.10 0.00 0.00 59.98 58.93 1a4l h ARG 782 Cb 0.47 -0.13 -0.07 0.00 -1.39 0.00 0.00 29.97 28.85 1a4l h ARG 782 CO 0.02 0.57 0.60 0.74 2.80 0.00 0.00 179.97 184.69 1a4l h PHE 783 N 0.65 1.10 0.27 2.20 -1.00 -0.86 -0.20 116.94 119.10 1a4l h PHE 783 Ca 0.17 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.97 1a4l h PHE 783 Cb 0.09 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 39.30 1a4l h PHE 783 CO -0.01 0.52 -0.13 -0.22 -1.61 0.00 0.00 178.31 176.86 1a4l h LYS 784 N 1.04 -0.35 -0.74 1.51 3.64 0.39 0.54 116.57 122.59 1a4l h LYS 784 Ca 0.43 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.83 1a4l h LYS 784 Cb 0.27 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 1a4l h LYS 784 CO -0.20 -0.05 0.44 -0.91 -2.27 0.00 0.00 179.45 176.45 1a4l h ASN 785 N -0.66 0.89 -0.15 4.20 2.35 -0.72 -1.34 115.58 120.16 1a4l h ASN 785 Ca -0.04 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1a4l h ASN 785 Cb 0.46 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1a4l h ASN 785 CO 0.06 0.69 0.00 0.47 -1.65 0.00 0.00 177.43 177.00 1a4l n ASP 786 N -4.38 0.81 -3.09 5.81 8.00 -0.11 -4.89 116.55 118.70 1a4l n ASP 786 Ca 0.08 -1.96 -0.20 0.00 0.71 0.00 0.00 54.79 53.41 1a4l n ASP 786 Cb 0.07 -0.10 -0.00 0.00 -0.02 0.00 0.00 41.12 41.07 1a4l n ASP 786 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1a4l n LYS 787 N -0.07 -3.24 -1.20 -1.24 4.76 -0.51 -4.92 118.16 111.75 1a4l n LYS 787 Ca 0.06 0.53 -0.32 0.00 -2.87 0.00 0.00 58.31 55.71 1a4l n LYS 787 Cb 0.13 -5.23 0.11 0.00 -1.84 0.00 0.00 35.03 28.20 1a4l n LYS 787 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1a4l s ALA 788 N -2.86 2.02 -0.52 7.82 0.00 0.16 -4.96 121.76 123.41 1a4l s ALA 788 Ca 0.28 0.54 -0.24 0.00 0.00 0.00 0.00 51.96 52.55 1a4l s ALA 788 Cb -0.15 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.63 1a4l s ALA 788 CO 0.35 -2.03 0.88 1.21 0.00 0.00 0.00 175.76 176.17 1a4l s ASN 789 N -2.75 6.36 0.22 0.00 3.04 -1.26 -4.85 114.94 115.69 1a4l s ASN 789 Ca 0.67 -0.31 -0.07 0.00 0.04 0.00 0.00 52.86 53.18 1a4l s ASN 789 Cb -0.22 -2.41 -0.02 0.00 -1.54 0.00 0.00 41.25 37.05 1a4l s ASN 789 CO 0.52 -1.12 0.30 -0.72 -3.04 0.00 0.00 177.10 173.04 1a4l s TYR 790 N 3.68 0.75 0.10 0.43 1.13 -1.26 -0.89 117.35 121.29 1a4l s TYR 790 Ca 0.29 -1.05 0.04 0.00 -1.41 0.00 0.00 57.07 54.95 1a4l s TYR 790 Cb -0.13 -0.19 -0.04 0.00 -1.10 0.00 0.00 41.96 40.51 1a4l s TYR 790 CO 0.20 -0.81 -0.11 -1.54 -2.51 0.00 0.00 175.55 170.78 1a4l s SER 791 N -3.08 1.52 -0.26 -0.18 1.04 -0.63 -4.51 113.70 107.59 1a4l s SER 791 Ca 0.30 -0.80 -0.10 0.00 0.48 0.00 0.00 55.95 55.84 1a4l s SER 791 Cb 0.03 -0.00 -0.04 0.00 0.10 0.00 0.00 66.02 66.10 1a4l s SER 791 CO 0.10 -0.24 0.15 -0.76 0.98 0.00 0.00 173.24 173.47 1a4l s LEU 792 N -2.40 3.90 0.13 2.42 1.02 -1.26 -1.19 118.68 121.31 1a4l s LEU 792 Ca 0.05 -0.03 0.05 0.00 0.02 0.00 0.00 54.13 54.22 1a4l s LEU 792 Cb -0.04 -2.07 -0.04 0.00 0.02 0.00 0.00 46.19 44.07 1a4l s LEU 792 CO 0.01 -0.01 -0.11 0.20 0.02 0.00 0.00 176.35 176.45 1a4l s ASN 793 N 1.53 1.76 -0.09 2.29 -0.87 0.12 -4.76 114.94 114.92 1a4l s ASN 793 Ca 0.07 -0.92 0.06 0.00 -1.57 0.00 0.00 52.86 50.49 1a4l s ASN 793 Cb -0.15 -0.02 -0.24 0.00 -0.02 0.00 0.00 41.25 40.82 1a4l s ASN 793 CO 0.08 -0.27 0.48 1.07 -2.57 0.00 0.00 177.10 175.88 1a4l n THR 794 N 0.13 1.65 0.00 1.60 5.66 -1.25 -4.23 114.28 117.85 1a4l n THR 794 Ca -0.13 -0.74 0.00 0.00 -3.05 0.00 0.00 64.05 60.13 1a4l n THR 794 Cb 0.59 -1.26 0.00 0.00 -1.55 0.00 0.00 70.33 68.11 1a4l n THR 794 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1a4l n ASP 795 N -3.19 0.00 -3.50 1.09 2.03 -1.04 -4.32 116.55 107.62 1a4l n ASP 795 Ca -0.25 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 54.79 1a4l n ASP 795 Cb 1.06 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 41.35 1a4l n ASP 795 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1a4l s ASP 796 N -4.00 2.33 0.38 1.67 1.11 -1.26 0.33 116.67 117.23 1a4l s ASP 796 Ca 0.00 -2.95 0.11 0.00 0.18 0.00 0.00 52.55 49.89 1a4l s ASP 796 Cb 0.00 -0.63 0.89 0.00 1.07 0.00 0.00 42.92 44.25 1a4l s ASP 796 CO 0.00 -0.20 1.88 -0.65 1.18 0.00 0.00 175.17 177.38 1a4l h PRO 797 N 5.97 0.59 0.33 8.23 0.11 -1.66 -1.78 132.00 143.80 1a4l h PRO 797 Ca 0.19 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 1a4l h PRO 797 Cb 0.90 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1a4l h PRO 797 CO 0.40 0.39 -0.16 1.25 -0.21 0.00 0.00 178.00 179.67 1a4l h LEU 798 N 0.61 -0.38 -0.70 2.35 5.85 -1.65 0.11 115.31 121.50 1a4l h LEU 798 Ca 0.43 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.95 1a4l h LEU 798 Cb 0.78 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1a4l h LEU 798 CO -0.19 -0.09 0.07 0.40 -0.34 0.00 0.00 178.44 178.29 1a4l h ILE 799 N -0.68 1.26 -0.01 4.05 5.03 -1.69 -2.83 117.51 122.65 1a4l h ILE 799 Ca -0.05 -1.07 0.00 0.00 -0.12 0.00 0.00 64.86 63.62 1a4l h ILE 799 Cb 0.48 0.70 0.00 0.00 -3.03 0.00 0.00 36.82 34.96 1a4l h ILE 799 CO 0.08 0.40 -0.04 0.49 -0.68 0.00 0.00 178.15 178.39 1a4l n PHE 800 N -4.20 0.00 -3.54 1.37 3.72 -0.69 -0.13 117.46 113.99 1a4l n PHE 800 Ca 0.04 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.26 1a4l n PHE 800 Cb 0.31 -0.03 0.01 0.00 -0.94 0.00 0.00 39.48 38.83 1a4l n PHE 800 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1a4l n LYS 801 N -0.15 -1.38 -3.97 -1.08 5.02 0.16 -4.80 118.16 111.95 1a4l n LYS 801 Ca 0.18 0.94 -0.09 0.00 -2.02 0.00 0.00 58.31 57.32 1a4l n LYS 801 Cb 0.32 -3.75 -0.05 0.00 -0.02 0.00 0.00 35.03 31.53 1a4l n LYS 801 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1a4l s SER 802 N -3.08 -0.11 0.37 4.39 1.04 -0.01 -5.04 113.70 111.26 1a4l s SER 802 Ca 0.09 -0.88 0.04 0.00 0.48 0.00 0.00 55.95 55.68 1a4l s SER 802 Cb -0.03 0.59 -0.05 0.00 0.10 0.00 0.00 66.02 66.62 1a4l s SER 802 CO 0.84 -1.14 0.07 0.42 0.98 0.00 0.00 173.24 174.41 1a4l s THR 803 N -4.00 1.11 0.54 2.02 -4.23 -1.26 -4.65 115.64 105.16 1a4l s THR 803 Ca 0.21 -2.00 0.39 0.00 -1.18 0.00 0.00 61.69 59.11 1a4l s THR 803 Cb -0.01 -2.65 0.41 0.00 1.34 0.00 0.00 72.50 71.60 1a4l s THR 803 CO 0.08 0.00 2.27 0.25 -0.54 0.00 0.00 174.62 176.67 1a4l h LEU 804 N 1.94 0.00 -1.18 4.79 5.85 -1.98 -1.47 115.31 123.26 1a4l h LEU 804 Ca -0.40 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.24 1a4l h LEU 804 Cb 1.26 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1a4l h LEU 804 CO 0.68 0.01 -0.36 -0.78 -0.34 0.00 0.00 178.44 177.65 1a4l h ASP 805 N 0.00 0.00 0.45 1.25 3.58 -1.95 -3.01 116.42 116.74 1a4l h ASP 805 Ca -0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1a4l h ASP 805 Cb 0.12 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1a4l h ASP 805 CO 0.00 0.36 -0.29 0.74 -2.88 0.00 0.00 179.24 177.18 1a4l h THR 806 N 0.00 0.41 -0.50 2.25 2.02 -1.66 0.21 112.91 115.64 1a4l h THR 806 Ca -0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.18 1a4l h THR 806 Cb 0.75 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 1a4l h THR 806 CO 0.05 0.00 0.32 0.44 0.37 0.00 0.00 175.52 176.70 1a4l h ASP 807 N -0.70 0.56 -0.08 4.18 5.19 -1.70 -0.02 116.42 123.85 1a4l h ASP 807 Ca -0.05 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.35 1a4l h ASP 807 Cb 0.58 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 39.95 1a4l h ASP 807 CO 0.04 0.40 0.04 1.88 -3.12 0.00 0.00 179.24 178.49 1a4l h TYR 808 N 0.66 0.11 -0.81 4.55 -1.99 -1.37 0.46 116.97 118.57 1a4l h TYR 808 Ca 0.18 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.89 1a4l h TYR 808 Cb -0.06 -0.03 -0.04 0.00 2.00 0.00 0.00 36.73 38.59 1a4l h TYR 808 CO -0.04 0.14 0.42 1.96 -0.00 0.00 0.00 178.16 180.64 1a4l h GLN 809 N 0.04 1.15 -0.61 4.88 1.08 -0.39 -0.08 115.11 121.18 1a4l h GLN 809 Ca 0.03 -0.14 -0.03 0.00 -1.45 0.00 0.00 58.65 57.06 1a4l h GLN 809 Cb 0.07 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.25 1a4l h GLN 809 CO -0.00 0.86 0.28 1.98 -0.95 0.00 0.00 178.83 180.99 1a4l h MET 810 N 1.15 0.89 0.00 1.46 4.05 -0.64 0.26 114.93 122.09 1a4l h MET 810 Ca 0.28 -0.14 -0.02 0.00 -0.28 0.00 0.00 59.70 59.55 1a4l h MET 810 Cb 0.06 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 30.70 1a4l h MET 810 CO -0.04 0.73 -0.10 1.79 0.23 0.00 0.00 176.91 179.52 1a4l h THR 811 N 0.84 0.20 0.00 -0.77 1.35 -0.40 -2.77 112.91 111.37 1a4l h THR 811 Ca 0.21 -0.96 -0.06 0.00 -0.55 0.00 0.00 66.41 65.05 1a4l h THR 811 Cb 0.14 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 68.37 1a4l h THR 811 CO -0.02 0.09 -0.57 0.50 -0.25 0.00 0.00 175.52 175.28 1a4l h LYS 812 N 0.00 0.00 -0.06 4.72 3.64 -0.44 -0.97 116.57 123.46 1a4l h LYS 812 Ca -0.00 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1a4l h LYS 812 Cb 0.80 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.60 1a4l h LYS 812 CO 0.01 0.33 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.21 1a4l h LYS 813 N -1.00 -0.13 -6.31 1.90 3.64 -0.62 -3.21 116.57 110.85 1a4l h LYS 813 Ca -0.09 0.01 -0.59 0.00 -1.27 0.00 0.00 60.65 58.71 1a4l h LYS 813 Cb 0.66 0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.40 1a4l h LYS 813 CO -0.05 -0.08 -0.65 -0.51 -2.27 0.00 0.00 179.45 175.88 1a4l s ASP 814 N -5.09 4.75 0.00 4.20 1.01 -1.04 -4.60 116.67 115.90 1a4l s ASP 814 Ca -0.14 -0.44 0.00 0.00 0.71 0.00 0.00 52.55 52.68 1a4l s ASP 814 Cb 0.09 -0.99 0.00 0.00 1.01 0.00 0.00 42.92 43.02 1a4l s ASP 814 CO 0.67 0.06 0.00 0.23 0.21 0.00 0.00 175.17 176.35 1a4l n MET 815 N -0.33 0.00 -2.63 8.23 2.81 -1.26 -3.99 117.12 119.95 1a4l n MET 815 Ca -0.09 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.68 1a4l n MET 815 Cb 0.56 -0.31 0.02 0.00 -0.71 0.00 0.00 33.22 32.78 1a4l n MET 815 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a4l n GLY 816 N -0.71 0.04 3.77 3.03 0.00 -1.11 -4.98 105.19 105.23 1a4l n GLY 816 Ca 0.00 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 1a4l n GLY 816 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a4l s PHE 817 N -2.85 3.14 0.43 1.61 0.40 -0.39 -4.99 117.98 115.33 1a4l s PHE 817 Ca 0.15 1.59 0.07 0.00 -0.60 0.00 0.00 56.93 58.14 1a4l s PHE 817 Cb -0.07 -3.31 -0.03 0.00 0.51 0.00 0.00 43.02 40.12 1a4l s PHE 817 CO 0.19 -1.10 0.25 0.95 0.70 0.00 0.00 175.22 176.21 1a4l s THR 818 N -1.48 2.33 0.27 0.64 -4.23 -1.26 -4.63 115.64 107.29 1a4l s THR 818 Ca 0.57 -1.58 -0.04 0.00 -1.18 0.00 0.00 61.69 59.46 1a4l s THR 818 Cb -0.28 -2.91 0.26 0.00 1.34 0.00 0.00 72.50 70.90 1a4l s THR 818 CO 0.35 0.00 1.95 -0.08 -0.54 0.00 0.00 174.62 176.30 1a4l h GLU 819 N 1.25 1.21 -0.36 3.99 4.81 -1.97 -0.99 114.58 122.52 1a4l h GLU 819 Ca -0.42 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 58.78 1a4l h GLU 819 Cb 1.26 -0.27 -0.04 0.00 0.63 0.00 0.00 28.75 30.33 1a4l h GLU 819 CO 0.65 0.80 0.11 1.49 -0.73 0.00 0.00 179.01 181.34 1a4l h GLU 820 N 1.24 0.25 -0.45 1.92 4.81 -2.00 -0.77 114.58 119.58 1a4l h GLU 820 Ca 0.34 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.43 1a4l h GLU 820 Cb -0.14 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1a4l h GLU 820 CO -0.07 0.16 -0.21 1.49 -0.73 0.00 0.00 179.01 179.65 1a4l h GLU 821 N 0.26 0.94 -0.56 1.92 4.57 -1.78 -2.21 114.58 117.72 1a4l h GLU 821 Ca 0.17 -0.41 0.06 0.00 -1.18 0.00 0.00 59.36 58.00 1a4l h GLU 821 Cb 0.16 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 1a4l h GLU 821 CO -0.18 1.07 0.37 0.74 -1.18 0.00 0.00 179.01 179.83 1a4l h PHE 822 N 0.78 0.54 -0.08 0.92 0.04 -0.74 0.12 116.94 118.52 1a4l h PHE 822 Ca 0.10 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.82 1a4l h PHE 822 Cb 0.78 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.75 1a4l h PHE 822 CO 0.05 0.29 -0.22 0.87 -0.60 0.00 0.00 178.31 178.71 1a4l h LYS 823 N 0.54 0.28 -0.92 1.51 1.57 -0.83 -1.87 116.57 116.85 1a4l h LYS 823 Ca 0.24 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1a4l h LYS 823 Cb 0.27 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.57 1a4l h LYS 823 CO -0.07 0.82 0.61 -0.09 -0.57 0.00 0.00 179.45 180.15 1a4l h ARG 824 N -0.21 1.19 0.71 3.15 2.43 -0.79 -0.06 114.38 120.81 1a4l h ARG 824 Ca -0.01 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 1a4l h ARG 824 Cb 0.83 -0.27 0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1a4l h ARG 824 CO 0.05 0.79 -0.34 1.25 -1.51 0.00 0.00 179.97 180.21 1a4l h LEU 825 N 1.23 -0.81 -1.35 3.80 6.46 -0.81 -1.44 115.31 122.39 1a4l h LEU 825 Ca 0.34 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 58.09 1a4l h LEU 825 Cb -0.12 0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 1a4l h LEU 825 CO -0.08 -0.54 0.21 0.78 -0.62 0.00 0.00 178.44 178.19 1a4l h ASN 826 N -1.02 0.59 -0.49 1.25 4.21 -1.06 -1.65 115.58 117.42 1a4l h ASN 826 Ca -0.10 -0.06 -0.07 0.00 1.21 0.00 0.00 56.30 57.29 1a4l h ASN 826 Cb 0.75 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 37.78 1a4l h ASN 826 CO 0.16 0.52 0.04 0.40 -1.29 0.00 0.00 177.43 177.26 1a4l h ILE 827 N 0.65 1.26 -0.76 2.81 2.04 -0.96 -2.61 117.51 119.94 1a4l h ILE 827 Ca 0.16 -0.99 0.04 0.00 1.00 0.00 0.00 64.86 65.07 1a4l h ILE 827 Cb 0.10 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 1a4l h ILE 827 CO -0.02 0.35 0.47 0.78 0.00 0.00 0.00 178.15 179.73 1a4l h ASN 828 N 0.70 0.77 -0.20 1.72 4.21 -0.37 -0.21 115.58 122.21 1a4l h ASN 828 Ca 0.14 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.64 1a4l h ASN 828 Cb 0.45 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.47 1a4l h ASN 828 CO 0.02 0.53 0.10 0.00 -1.29 0.00 0.00 177.43 176.78 1a4l h ALA 829 N 1.33 1.72 -0.08 -0.83 0.00 -1.14 0.06 119.26 120.33 1a4l h ALA 829 Ca 0.31 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1a4l h ALA 829 Cb 0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1a4l h ALA 829 CO -0.12 0.23 -0.03 0.00 0.00 0.00 0.00 179.25 179.32 1a4l h ALA 830 N 1.78 0.10 -0.45 0.00 0.00 -0.71 -1.28 119.26 118.70 1a4l h ALA 830 Ca 0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1a4l h ALA 830 Cb 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1a4l h ALA 830 CO -0.01 -0.15 0.16 0.87 0.00 0.00 0.00 179.25 180.11 1a4l h LYS 831 N -0.21 0.65 -0.31 0.00 1.57 -0.74 -2.40 116.57 115.13 1a4l h LYS 831 Ca 0.02 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1a4l h LYS 831 Cb 0.46 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1a4l h LYS 831 CO 0.01 0.56 0.00 0.43 -0.57 0.00 0.00 179.45 179.88 1a4l n SER 832 N -4.34 1.92 -4.65 0.86 7.64 -0.04 -4.94 113.62 110.07 1a4l n SER 832 Ca 0.03 -1.91 -0.29 0.00 1.01 0.00 0.00 58.87 57.71 1a4l n SER 832 Cb 0.17 -0.21 0.18 0.00 -1.01 0.00 0.00 64.21 63.34 1a4l n SER 832 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1a4l s SER 833 N -1.18 2.48 -0.41 6.43 1.04 -0.50 -4.93 113.70 116.64 1a4l s SER 833 Ca 0.27 1.29 0.06 0.00 0.48 0.00 0.00 55.95 58.05 1a4l s SER 833 Cb 0.15 -1.97 0.69 0.00 0.10 0.00 0.00 66.02 64.99 1a4l s SER 833 CO 0.20 -3.23 1.88 0.49 0.98 0.00 0.00 173.24 173.56 1a4l n PHE 834 N -4.25 2.88 -2.97 5.02 3.72 -1.26 -4.97 117.46 115.63 1a4l n PHE 834 Ca 0.05 -1.63 -0.33 0.00 -0.05 0.00 0.00 57.45 55.49 1a4l n PHE 834 Cb 0.56 -0.87 -0.07 0.00 -0.94 0.00 0.00 39.48 38.17 1a4l n PHE 834 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1a4l s LEU 835 N -3.18 4.03 0.71 4.37 2.96 -1.26 -4.90 118.68 121.40 1a4l s LEU 835 Ca 0.56 1.50 -0.14 0.00 -0.22 0.00 0.00 54.13 55.83 1a4l s LEU 835 Cb 0.47 -4.28 0.03 0.00 0.50 0.00 0.00 46.19 42.91 1a4l s LEU 835 CO 0.12 -0.26 1.13 -2.84 -1.32 0.00 0.00 176.35 173.18 1a4l s PRO 836 N -3.00 2.45 0.25 0.98 0.02 -1.26 -4.71 135.00 129.73 1a4l s PRO 836 Ca 0.57 1.45 -0.06 0.00 0.02 0.00 0.00 61.00 62.99 1a4l s PRO 836 Cb -0.10 -1.90 0.46 0.00 0.02 0.00 0.00 34.50 32.97 1a4l s PRO 836 CO 0.16 -1.53 1.65 0.93 -0.33 0.00 0.00 177.00 177.88 1a4l h GLU 837 N -0.34 0.16 0.10 5.54 4.39 -1.98 -0.95 114.58 121.49 1a4l h GLU 837 Ca -0.46 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1a4l h GLU 837 Cb 1.26 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 1a4l h GLU 837 CO 0.52 0.11 -0.09 0.93 -1.16 0.00 0.00 179.01 179.31 1a4l h GLU 838 N 0.16 -0.21 -0.06 2.33 3.07 -2.00 -0.36 114.58 117.52 1a4l h GLU 838 Ca 0.42 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.26 1a4l h GLU 838 Cb 0.74 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.69 1a4l h GLU 838 CO -0.60 -0.14 -0.13 0.93 -1.40 0.00 0.00 179.01 177.67 1a4l h GLU 839 N -0.21 0.10 -0.14 2.33 5.08 -1.75 -1.62 114.58 118.36 1a4l h GLU 839 Ca 0.00 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.17 1a4l h GLU 839 Cb 0.20 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1a4l h GLU 839 CO -0.02 0.24 -0.64 -0.22 -1.00 0.00 0.00 179.01 177.36 1a4l h LYS 840 N 0.09 0.53 -0.24 2.33 3.64 -0.67 -2.11 116.57 120.15 1a4l h LYS 840 Ca 0.02 -0.38 -0.01 0.00 -1.27 0.00 0.00 60.65 59.01 1a4l h LYS 840 Cb 0.30 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1a4l h LYS 840 CO 0.02 1.00 0.12 0.87 -2.27 0.00 0.00 179.45 179.19 1a4l h LYS 841 N 0.39 0.34 -0.77 1.90 1.79 -0.16 -0.76 116.57 119.31 1a4l h LYS 841 Ca -0.01 -0.05 0.08 0.00 -2.18 0.00 0.00 60.65 58.49 1a4l h LYS 841 Cb 1.20 -0.06 -0.07 0.00 -1.58 0.00 0.00 32.23 31.72 1a4l h LYS 841 CO 0.12 0.33 0.43 0.93 -1.08 0.00 0.00 179.45 180.18 1a4l h GLU 842 N 0.26 0.71 -0.78 3.15 5.08 -1.31 -0.07 114.58 121.63 1a4l h GLU 842 Ca 0.08 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1a4l h GLU 842 Cb 0.10 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 1a4l h GLU 842 CO -0.01 0.47 0.51 1.25 -1.00 0.00 0.00 179.01 180.23 1a4l h LEU 843 N 0.74 0.87 -0.43 1.33 6.46 -0.85 -2.32 115.31 121.10 1a4l h LEU 843 Ca 0.36 -0.02 -0.18 0.00 -0.12 0.00 0.00 57.88 57.93 1a4l h LEU 843 Cb 0.31 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.03 1a4l h LEU 843 CO -0.23 0.62 -0.69 -0.07 -0.62 0.00 0.00 178.44 177.45 1a4l h LEU 844 N 1.03 0.51 -0.27 2.25 3.38 0.05 -1.80 115.31 120.46 1a4l h LEU 844 Ca 0.30 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1a4l h LEU 844 Cb -0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1a4l h LEU 844 CO -0.08 1.05 0.13 -0.33 0.09 0.00 0.00 178.44 179.30 1a4l h GLU 845 N 0.31 0.38 -0.26 1.13 5.08 -0.80 -0.44 114.58 119.98 1a4l h GLU 845 Ca -0.02 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1a4l h GLU 845 Cb 1.26 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1a4l h GLU 845 CO 0.12 0.36 0.11 -0.09 -1.00 0.00 0.00 179.01 178.51 1a4l h ARG 846 N 0.30 0.23 0.68 2.33 2.43 -1.40 0.58 114.38 119.54 1a4l h ARG 846 Ca 0.09 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1a4l h ARG 846 Cb 0.10 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1a4l h ARG 846 CO -0.01 0.15 -0.42 -0.07 -1.51 0.00 0.00 179.97 178.12 1a4l h LEU 847 N 0.24 -1.04 -1.53 3.80 3.38 -1.12 -0.56 115.31 118.48 1a4l h LEU 847 Ca 0.11 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1a4l h LEU 847 Cb 0.06 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1a4l h LEU 847 CO -0.09 -0.65 0.32 1.88 0.09 0.00 0.00 178.44 179.99 1a4l h TYR 848 N -1.03 0.60 0.21 1.13 -1.99 -0.93 0.27 116.97 115.24 1a4l h TYR 848 Ca -0.09 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 1a4l h TYR 848 Cb 0.83 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 39.36 1a4l h TYR 848 CO -0.10 0.38 -0.10 -0.09 -0.00 0.00 0.00 178.16 178.25 1a4l h ARG 849 N 0.65 -0.27 0.00 4.88 2.43 0.49 -2.98 114.38 119.58 1a4l h ARG 849 Ca 0.18 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1a4l h ARG 849 Cb -0.07 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1a4l h ARG 849 CO -0.04 -0.03 0.00 0.39 -1.51 0.00 0.00 179.97 178.78 1a4l n GLU 850 N -5.12 0.12 -0.00 0.20 1.02 -0.24 -2.94 120.64 113.67 1a4l n GLU 850 Ca -0.09 0.14 0.15 0.00 -0.02 0.00 0.00 57.16 57.34 1a4l n GLU 850 Cb 0.20 -1.65 0.72 0.00 -0.02 0.00 0.00 31.44 30.69 1a4l n GLU 850 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1a4l n TYR 851 N -1.85 0.00 1.58 -0.32 4.02 0.06 -4.92 117.16 115.74 1a4l n TYR 851 Ca 0.06 -0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.07 1a4l n TYR 851 Cb 0.35 0.00 0.75 0.00 -0.02 0.00 0.00 39.34 40.42 1a4l n TYR 851 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89