#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r7i s ASP 504 N 0.00 4.31 -0.02 1.96 2.15 -1.26 -4.47 116.67 119.34 1r7i s ASP 504 Ca 0.00 -1.49 0.11 0.00 0.43 0.00 0.00 52.55 51.60 1r7i s ASP 504 Cb 0.00 -1.43 0.34 0.00 -0.30 0.00 0.00 42.92 41.53 1r7i s ASP 504 CO 0.00 -0.25 1.24 -1.54 -0.17 0.00 0.00 175.17 174.46 1r7i n SER 505 N 4.49 2.21 0.11 -0.34 3.41 -1.26 -4.42 113.62 117.82 1r7i n SER 505 Ca -0.10 -2.08 0.10 0.00 -0.26 0.00 0.00 58.87 56.54 1r7i n SER 505 Cb 0.43 -0.31 0.46 0.00 -0.26 0.00 0.00 64.21 64.53 1r7i n SER 505 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1r7i n ARG 506 N 0.53 0.15 -2.49 4.33 1.74 -1.26 0.21 116.66 119.87 1r7i n ARG 506 Ca 0.13 0.46 -0.06 0.00 -0.77 0.00 0.00 57.85 57.60 1r7i n ARG 506 Cb 0.38 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 1r7i n ARG 506 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1r7i n LEU 507 N -2.11 -0.42 -4.77 0.55 4.77 -1.26 -4.64 117.00 109.12 1r7i n LEU 507 Ca 0.01 -0.17 -0.40 0.00 -0.03 0.00 0.00 56.01 55.42 1r7i n LEU 507 Cb 0.16 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 1r7i n LEU 507 CO 0.15 0.07 0.96 -2.84 -1.33 0.00 0.00 177.39 174.40 1r7i s PRO 508 N -2.14 4.21 0.00 3.23 0.02 -1.26 -2.62 135.00 136.45 1r7i s PRO 508 Ca 0.02 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.20 1r7i s PRO 508 Cb -0.00 -2.94 0.00 0.00 0.02 0.00 0.00 34.50 31.58 1r7i s PRO 508 CO 0.19 -0.29 0.00 0.00 -0.33 0.00 0.00 177.00 176.57 1r7i n ALA 509 N 0.52 0.00 -0.30 -1.55 0.00 -1.26 -4.81 120.51 113.11 1r7i n ALA 509 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.56 1r7i n ALA 509 Cb 0.43 -0.99 0.27 0.00 0.00 0.00 0.00 19.45 19.16 1r7i n ALA 509 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1r7i h PHE 510 N 0.00 0.67 0.00 0.00 3.57 -1.86 0.14 116.94 119.47 1r7i h PHE 510 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1r7i h PHE 510 Cb 0.13 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.71 1r7i h PHE 510 CO 0.08 0.03 0.00 -2.13 -2.23 0.00 0.00 178.31 174.06 1r7i n ARG 511 N -4.99 0.11 0.00 1.11 0.63 -1.26 -1.96 116.66 110.30 1r7i n ARG 511 Ca 0.20 0.59 0.00 0.00 -0.92 0.00 0.00 57.85 57.72 1r7i n ARG 511 Cb 0.57 -1.84 0.00 0.00 0.45 0.00 0.00 32.46 31.64 1r7i n ARG 511 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1r7i n ASN 512 N -2.07 1.25 -4.78 6.15 3.02 0.47 -5.01 115.26 114.29 1r7i n ASN 512 Ca -0.01 -1.26 -0.37 0.00 -0.03 0.00 0.00 54.58 52.92 1r7i n ASN 512 Cb 0.04 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.14 1r7i n ASN 512 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1r7i s LEU 513 N -0.26 4.36 1.03 3.41 1.43 -0.83 -5.02 118.68 122.80 1r7i s LEU 513 Ca 0.00 1.79 -0.11 0.00 -1.03 0.00 0.00 54.13 54.78 1r7i s LEU 513 Cb 0.00 -3.93 0.21 0.00 0.03 0.00 0.00 46.19 42.50 1r7i s LEU 513 CO 0.00 -0.04 1.08 -0.94 0.23 0.00 0.00 176.35 176.68 1r7i s SER 514 N -1.59 2.11 0.24 2.29 1.04 -1.26 -4.57 113.70 111.96 1r7i s SER 514 Ca 0.49 1.78 -0.06 0.00 0.48 0.00 0.00 55.95 58.64 1r7i s SER 514 Cb -0.19 -2.39 0.32 0.00 0.10 0.00 0.00 66.02 63.86 1r7i s SER 514 CO 0.24 -3.54 1.85 -0.65 0.98 0.00 0.00 173.24 172.12 1r7i h PRO 515 N -2.17 0.93 -0.04 4.02 0.11 -1.96 0.53 132.00 133.41 1r7i h PRO 515 Ca -0.52 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.53 1r7i h PRO 515 Cb 1.30 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1r7i h PRO 515 CO 0.47 0.61 0.02 0.00 -0.21 0.00 0.00 178.00 178.90 1r7i h ALA 516 N 1.40 0.05 -0.44 -0.75 0.00 -1.99 0.29 119.26 117.82 1r7i h ALA 516 Ca 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1r7i h ALA 516 Cb 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1r7i h ALA 516 CO -0.17 -0.42 0.28 0.00 0.00 0.00 0.00 179.25 178.94 1r7i h ALA 517 N 0.96 0.56 -0.55 0.00 0.00 -1.74 -0.10 119.26 118.38 1r7i h ALA 517 Ca 0.01 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1r7i h ALA 517 Cb 0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1r7i h ALA 517 CO -0.00 0.03 0.33 0.00 0.00 0.00 0.00 179.25 179.60 1r7i h ARG 518 N 0.59 0.63 -0.21 0.00 3.08 0.57 -1.00 114.38 118.04 1r7i h ARG 518 Ca 0.16 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1r7i h ARG 518 Cb -0.04 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 1r7i h ARG 518 CO -0.03 0.42 0.14 1.25 -1.07 0.00 0.00 179.97 180.67 1r7i h LEU 519 N 0.65 0.24 -0.50 3.04 5.85 0.08 0.08 115.31 124.75 1r7i h LEU 519 Ca 0.23 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 59.02 1r7i h LEU 519 Cb 0.04 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 1r7i h LEU 519 CO -0.11 0.18 0.14 0.44 -0.34 0.00 0.00 178.44 178.75 1r7i h ASP 520 N 0.29 0.08 0.20 1.25 5.19 -0.65 0.57 116.42 123.35 1r7i h ASP 520 Ca 0.08 0.08 0.01 0.00 -0.62 0.00 0.00 57.03 56.58 1r7i h ASP 520 Cb -0.03 0.09 -0.04 0.00 0.18 0.00 0.00 39.33 39.53 1r7i h ASP 520 CO -0.02 0.07 -0.38 0.45 -3.12 0.00 0.00 179.24 176.25 1r7i h HIS 521 N 0.29 -1.04 -0.46 4.55 3.86 -0.78 -0.37 115.15 121.20 1r7i h HIS 521 Ca 0.25 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.50 1r7i h HIS 521 Cb 0.31 0.43 -0.02 0.00 1.06 0.00 0.00 27.41 29.19 1r7i h HIS 521 CO -0.20 -0.50 0.30 0.82 0.86 0.00 0.00 177.93 179.22 1r7i h ILE 522 N -0.66 1.07 -0.90 2.45 1.08 -0.26 -2.26 117.51 118.03 1r7i h ILE 522 Ca 0.01 -0.19 0.07 0.00 -0.39 0.00 0.00 64.86 64.36 1r7i h ILE 522 Cb 0.66 0.47 -0.06 0.00 -3.07 0.00 0.00 36.82 34.82 1r7i h ILE 522 CO -0.17 0.10 0.58 1.23 -0.69 0.00 0.00 178.15 179.20 1r7i h GLY 523 N 0.55 1.30 0.09 5.37 0.00 0.17 -2.98 103.07 107.57 1r7i h GLY 523 Ca 0.18 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1r7i h GLY 523 CO -0.04 0.29 -0.00 -1.61 0.00 0.00 0.00 176.54 175.17 1r7i h GLN 524 N 1.00 0.00 0.00 4.80 5.75 -0.63 0.68 115.11 126.71 1r7i h GLN 524 Ca 0.39 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.87 1r7i h GLN 524 Cb 0.22 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.77 1r7i h GLN 524 CO -0.15 0.91 -0.07 1.37 -2.65 0.00 0.00 178.83 178.25 1r7i h LEU 525 N -0.91 0.00 0.00 -2.39 -0.00 -1.59 -1.73 115.31 108.69 1r7i h LEU 525 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1r7i h LEU 525 Cb 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.57 1r7i h LEU 525 CO 0.00 0.07 -0.97 0.18 -0.00 0.00 0.00 178.44 177.71 1r7i n LEU 526 N -3.21 0.77 -2.87 0.17 4.77 -1.13 -4.14 117.00 111.36 1r7i n LEU 526 Ca 0.00 -0.45 -0.14 0.00 -0.03 0.00 0.00 56.01 55.39 1r7i n LEU 526 Cb 0.32 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.47 1r7i n LEU 526 CO 0.28 0.19 0.11 0.61 -1.33 0.00 0.00 177.39 177.25 1r7i n GLY 527 N 1.43 -0.18 3.79 -0.72 0.00 -0.65 -4.95 105.19 103.91 1r7i n GLY 527 Ca 0.03 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1r7i n GLY 527 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r7i s LEU 528 N -5.46 4.22 0.43 0.99 1.43 0.23 -5.02 118.68 115.52 1r7i s LEU 528 Ca 0.10 1.81 -0.23 0.00 -1.03 0.00 0.00 54.13 54.78 1r7i s LEU 528 Cb -0.04 -4.16 -0.09 0.00 0.03 0.00 0.00 46.19 41.93 1r7i s LEU 528 CO 0.56 -0.17 1.05 -0.94 0.23 0.00 0.00 176.35 177.08 1r7i s SER 529 N -1.76 6.60 0.20 2.29 1.04 -1.26 -4.88 113.70 115.93 1r7i s SER 529 Ca 0.54 2.00 -0.22 0.00 0.48 0.00 0.00 55.95 58.75 1r7i s SER 529 Cb -0.16 -2.58 0.13 0.00 0.10 0.00 0.00 66.02 63.51 1r7i s SER 529 CO 0.21 -0.60 1.56 1.12 0.98 0.00 0.00 173.24 176.51 1r7i h HIS 530 N 2.15 -1.21 -0.64 5.02 2.07 -1.98 0.33 115.15 120.89 1r7i h HIS 530 Ca -0.49 0.10 0.08 0.00 -2.85 0.00 0.00 60.37 57.21 1r7i h HIS 530 Cb 1.22 0.65 -0.04 0.00 2.57 0.00 0.00 27.41 31.81 1r7i h HIS 530 CO 0.57 -0.40 0.42 -0.44 -3.07 0.00 0.00 177.93 175.02 1r7i h ASP 531 N -0.08 0.47 -0.55 3.10 3.32 -2.00 -1.97 116.42 118.71 1r7i h ASP 531 Ca 0.26 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.21 1r7i h ASP 531 Cb 0.56 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 1r7i h ASP 531 CO -0.86 0.29 -0.08 0.44 -1.72 0.00 0.00 179.24 177.31 1r7i h ASP 532 N 0.53 1.03 0.31 6.45 3.32 -0.73 -2.82 116.42 124.52 1r7i h ASP 532 Ca 0.29 -0.34 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 1r7i h ASP 532 Cb 0.43 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1r7i h ASP 532 CO -0.09 1.13 -0.41 0.58 -1.72 0.00 0.00 179.24 178.72 1r7i h VAL 533 N 0.91 1.31 -0.07 -1.35 2.07 -0.63 -2.50 116.25 116.00 1r7i h VAL 533 Ca 0.15 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 1r7i h VAL 533 Cb 0.65 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1r7i h VAL 533 CO 0.04 0.44 0.01 0.28 0.02 0.00 0.00 177.57 178.37 1r7i h SER 534 N 0.12 0.08 0.18 0.57 0.02 -1.16 -1.97 113.55 111.39 1r7i h SER 534 Ca 0.01 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1r7i h SER 534 Cb 0.79 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.30 1r7i h SER 534 CO 0.06 0.09 -0.14 -0.07 -1.14 0.00 0.00 176.83 175.63 1r7i h LEU 535 N 0.09 0.00 -0.03 5.07 3.38 -1.32 -2.88 115.31 119.63 1r7i h LEU 535 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1r7i h LEU 535 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1r7i h LEU 535 CO -0.00 0.14 -0.62 0.18 0.09 0.00 0.00 178.44 178.23 1r7i n LEU 536 N -4.18 0.66 0.13 1.67 4.77 -0.96 -4.49 117.00 114.61 1r7i n LEU 536 Ca -0.02 -0.51 0.07 0.00 -0.03 0.00 0.00 56.01 55.51 1r7i n LEU 536 Cb 0.22 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.35 1r7i n LEU 536 CO 0.34 0.16 0.32 0.00 -1.33 0.00 0.00 177.39 176.89 1r7i h ALA 537 N 1.92 0.72 -4.06 -1.18 0.00 -1.17 -3.45 119.26 112.03 1r7i h ALA 537 Ca 0.00 -0.30 -0.44 0.00 0.00 0.00 0.00 54.91 54.17 1r7i h ALA 537 Cb 0.32 0.03 -0.29 0.00 0.00 0.00 0.00 17.79 17.85 1r7i h ALA 537 CO 0.00 0.36 -0.79 -0.80 0.00 0.00 0.00 179.25 178.02 1r7i s ASN 538 N -6.02 1.34 1.01 0.00 0.02 -1.10 -5.08 114.94 105.11 1r7i s ASN 538 Ca 0.03 -0.21 -0.11 0.00 -1.02 0.00 0.00 52.86 51.55 1r7i s ASN 538 Cb 0.07 -0.19 0.20 0.00 0.02 0.00 0.00 41.25 41.35 1r7i s ASN 538 CO 0.75 0.13 1.10 0.00 0.02 0.00 0.00 177.10 179.09 1r7i s ALA 539 N -0.18 0.74 0.00 0.60 0.00 -1.26 -4.34 121.76 117.31 1r7i s ALA 539 Ca 0.03 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1r7i s ALA 539 Cb -0.05 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1r7i s ALA 539 CO -0.00 -3.14 0.00 0.41 0.00 0.00 0.00 175.76 173.03 1r7i n GLY 540 N 0.34 0.73 0.29 0.00 0.00 -1.26 -4.96 105.19 100.33 1r7i n GLY 540 Ca 0.08 -0.69 0.18 0.00 0.00 0.00 0.00 46.02 45.59 1r7i n GLY 540 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r7i h ALA 541 N 0.00 1.05 -2.56 4.61 0.00 -1.82 -3.36 119.26 117.19 1r7i h ALA 541 Ca 0.00 -0.03 -0.76 0.00 0.00 0.00 0.00 54.91 54.12 1r7i h ALA 541 Cb 0.76 -0.01 -0.26 0.00 0.00 0.00 0.00 17.79 18.28 1r7i h ALA 541 CO 0.00 0.04 -0.12 -1.17 0.00 0.00 0.00 179.25 178.00 1r7i s LEU 542 N -6.40 6.29 0.32 0.00 0.20 -1.26 -4.64 118.68 113.18 1r7i s LEU 542 Ca -0.02 -2.27 -0.28 0.00 0.69 0.00 0.00 54.13 52.26 1r7i s LEU 542 Cb 0.11 -2.15 -0.13 0.00 -0.43 0.00 0.00 46.19 43.59 1r7i s LEU 542 CO 0.51 -0.68 1.12 -2.65 -0.29 0.00 0.00 176.35 174.37 1r7i n PRO 543 N 4.53 1.66 -0.34 0.98 -0.02 -1.26 -4.70 135.00 135.85 1r7i n PRO 543 Ca 0.00 0.58 0.01 0.00 -2.02 0.00 0.00 63.50 62.08 1r7i n PRO 543 Cb 0.43 -2.05 0.15 0.00 -0.02 0.00 0.00 33.50 32.00 1r7i n PRO 543 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1r7i h MET 544 N 2.18 1.08 0.00 -0.52 2.86 -1.97 0.54 114.93 119.09 1r7i h MET 544 Ca -0.43 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 1r7i h MET 544 Cb 1.32 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.73 1r7i h MET 544 CO 0.61 0.71 0.00 -0.40 1.06 0.00 0.00 176.91 178.89 1r7i n ASP 545 N -4.54 0.65 -0.07 1.22 5.75 -1.26 0.29 116.55 118.59 1r7i n ASP 545 Ca 0.13 0.61 -0.17 0.00 -0.01 0.00 0.00 54.79 55.36 1r7i n ASP 545 Cb 0.15 -0.77 -0.13 0.00 -1.03 0.00 0.00 41.12 39.35 1r7i n ASP 545 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1r7i h ILE 546 N 0.00 1.51 -0.56 2.12 1.08 -0.66 -3.28 117.51 117.72 1r7i h ILE 546 Ca 0.00 -2.31 0.11 0.00 -0.39 0.00 0.00 64.86 62.27 1r7i h ILE 546 Cb 0.51 3.04 -0.09 0.00 -3.07 0.00 0.00 36.82 37.20 1r7i h ILE 546 CO 0.00 0.53 0.03 0.00 -0.69 0.00 0.00 178.15 178.02 1r7i h ALA 547 N -0.14 0.56 0.00 1.87 0.00 0.60 -0.28 119.26 121.87 1r7i h ALA 547 Ca -0.11 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1r7i h ALA 547 Cb 1.13 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1r7i h ALA 547 CO -0.05 -0.37 -0.01 -0.97 0.00 0.00 0.00 179.25 177.85 1r7i h ASN 548 N 0.15 0.00 0.76 0.00 -1.24 0.42 -1.62 115.58 114.05 1r7i h ASN 548 Ca 0.29 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.30 1r7i h ASN 548 Cb 0.44 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.49 1r7i h ASN 548 CO -0.45 0.01 -1.03 0.61 -1.29 0.00 0.00 177.43 175.28 1r7i n GLY 549 N -1.04 -1.36 0.21 1.57 0.00 -0.17 -4.39 105.19 100.01 1r7i n GLY 549 Ca -0.03 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 1r7i n GLY 549 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1r7i h MET 550 N 0.00 -0.42 -5.07 1.61 2.86 -0.71 -3.48 114.93 109.72 1r7i h MET 550 Ca 0.00 0.03 -0.57 0.00 -2.06 0.00 0.00 59.70 57.10 1r7i h MET 550 Cb 0.90 0.10 -0.13 0.00 0.06 0.00 0.00 31.60 32.52 1r7i h MET 550 CO 0.00 -0.11 -0.52 0.96 1.06 0.00 0.00 176.91 178.30 1r7i s ILE 551 N -3.78 0.71 0.35 -1.22 -4.36 -1.22 -5.12 121.20 106.56 1r7i s ILE 551 Ca -0.12 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.30 1r7i s ILE 551 Cb 0.01 -2.35 -0.02 0.00 1.25 0.00 0.00 42.46 41.35 1r7i s ILE 551 CO 0.41 0.00 0.53 -1.61 0.24 0.00 0.00 174.94 174.51 1r7i s GLU 552 N -3.74 3.29 -1.44 0.37 8.01 -1.26 -4.49 118.70 119.44 1r7i s GLU 552 Ca 0.22 -0.58 -0.06 0.00 0.01 0.00 0.00 54.97 54.56 1r7i s GLU 552 Cb 0.03 -2.70 0.03 0.00 -4.31 0.00 0.00 34.13 27.17 1r7i s GLU 552 CO 0.13 0.07 0.53 0.09 0.01 0.00 0.00 175.26 176.09 1r7i n ASN 553 N -1.77 -5.13 -4.75 -0.19 4.13 -1.26 -4.93 115.26 101.35 1r7i n ASN 553 Ca -0.03 -0.30 -0.41 0.00 1.68 0.00 0.00 54.58 55.52 1r7i n ASN 553 Cb 0.57 -4.18 -0.03 0.00 -1.54 0.00 0.00 39.78 34.60 1r7i n ASN 553 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1r7i s VAL 554 N -3.06 3.02 0.00 2.41 1.01 -1.26 -4.91 120.40 117.61 1r7i s VAL 554 Ca 0.32 0.90 0.00 0.00 0.00 0.00 0.00 61.98 63.21 1r7i s VAL 554 Cb -0.15 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1r7i s VAL 554 CO 0.40 0.17 0.48 2.30 0.00 0.00 0.00 175.10 178.44 1r7i n ILE 555 N 1.93 0.22 -3.77 2.22 -5.35 -1.26 -5.03 119.36 108.32 1r7i n ILE 555 Ca 0.04 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 1r7i n ILE 555 Cb 0.42 1.16 0.00 0.00 -1.74 0.00 0.00 39.64 39.48 1r7i n ILE 555 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1r7i n GLY 556 N -0.11 -0.55 3.41 3.28 0.00 -1.26 -5.16 105.19 104.80 1r7i n GLY 556 Ca 0.00 -1.00 -0.20 0.00 0.00 0.00 0.00 46.02 44.81 1r7i n GLY 556 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r7i s THR 557 N -3.00 1.32 -0.04 2.61 -4.23 -1.26 -4.99 115.64 106.05 1r7i s THR 557 Ca 0.00 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 1r7i s THR 557 Cb 0.00 -2.54 0.03 0.00 1.34 0.00 0.00 72.50 71.32 1r7i s THR 557 CO 0.00 -0.20 -0.00 0.12 -0.54 0.00 0.00 174.62 173.99 1r7i s PHE 558 N -3.22 0.40 0.15 3.99 5.36 -1.26 -5.15 117.98 118.24 1r7i s PHE 558 Ca 0.32 -0.03 0.04 0.00 -0.96 0.00 0.00 56.93 56.29 1r7i s PHE 558 Cb 0.06 -0.49 -0.04 0.00 -0.34 0.00 0.00 43.02 42.21 1r7i s PHE 558 CO 0.12 -0.16 0.17 -1.21 -1.46 0.00 0.00 175.22 172.68 1r7i s GLU 559 N 1.19 3.05 0.03 10.12 2.02 -1.26 -5.12 118.70 128.74 1r7i s GLU 559 Ca -0.07 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.16 1r7i s GLU 559 Cb -0.13 -2.75 -0.02 0.00 0.10 0.00 0.00 34.13 31.32 1r7i s GLU 559 CO -0.02 0.51 -0.04 -0.51 0.02 0.00 0.00 175.26 175.22 1r7i s LEU 560 N -3.02 2.29 0.43 1.80 1.43 -1.26 -5.13 118.68 115.23 1r7i s LEU 560 Ca 0.32 -0.60 -0.26 0.00 -1.03 0.00 0.00 54.13 52.56 1r7i s LEU 560 Cb -0.11 0.06 -0.09 0.00 0.03 0.00 0.00 46.19 46.08 1r7i s LEU 560 CO 0.25 -0.33 1.45 -2.84 0.23 0.00 0.00 176.35 175.11 1r7i s PRO 561 N -1.93 3.79 -0.26 1.29 0.02 -1.26 -4.91 135.00 131.74 1r7i s PRO 561 Ca -0.11 2.48 -0.03 0.00 0.02 0.00 0.00 61.00 63.37 1r7i s PRO 561 Cb -0.07 -2.74 0.02 0.00 0.02 0.00 0.00 34.50 31.74 1r7i s PRO 561 CO -0.02 -0.76 -0.02 -0.47 -0.33 0.00 0.00 177.00 175.40 1r7i s TYR 562 N -1.17 3.10 0.41 6.54 5.04 -1.26 -3.45 117.35 126.56 1r7i s TYR 562 Ca 0.59 -1.41 0.04 0.00 -2.44 0.00 0.00 57.07 53.85 1r7i s TYR 562 Cb -0.45 -2.11 -0.05 0.00 0.35 0.00 0.00 41.96 39.70 1r7i s TYR 562 CO 0.59 -0.69 0.03 0.00 -1.34 0.00 0.00 175.55 174.14 1r7i s ALA 563 N 1.37 3.18 -0.08 3.97 0.00 0.01 -4.96 121.76 125.26 1r7i s ALA 563 Ca 0.01 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.33 1r7i s ALA 563 Cb -0.17 0.32 0.02 0.00 0.00 0.00 0.00 23.12 23.30 1r7i s ALA 563 CO -0.02 -0.17 -0.06 0.08 0.00 0.00 0.00 175.76 175.59 1r7i s VAL 564 N -2.95 0.78 0.27 0.00 1.01 -1.26 -0.50 120.40 117.74 1r7i s VAL 564 Ca 0.27 -0.18 -0.25 0.00 0.00 0.00 0.00 61.98 61.81 1r7i s VAL 564 Cb 0.07 -0.81 -0.09 0.00 0.00 0.00 0.00 36.38 35.54 1r7i s VAL 564 CO 0.13 0.31 0.88 0.00 0.00 0.00 0.00 175.10 176.42 1r7i s ALA 565 N 1.44 3.30 0.49 5.51 0.00 0.68 -4.91 121.76 128.28 1r7i s ALA 565 Ca -0.01 0.45 0.08 0.00 0.00 0.00 0.00 51.96 52.48 1r7i s ALA 565 Cb -0.13 -3.09 0.04 0.00 0.00 0.00 0.00 23.12 19.93 1r7i s ALA 565 CO -0.04 0.23 0.63 -1.54 0.00 0.00 0.00 175.76 175.03 1r7i s SER 566 N -1.48 5.33 0.00 0.00 1.04 -1.26 -2.79 113.70 114.54 1r7i s SER 566 Ca 0.45 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1r7i s SER 566 Cb -0.20 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.69 1r7i s SER 566 CO 0.25 -0.99 0.00 0.59 0.98 0.00 0.00 173.24 174.07 1r7i n ASN 567 N -1.97 0.00 -4.70 7.02 3.02 0.56 -4.48 115.26 114.72 1r7i n ASN 567 Ca 0.10 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.23 1r7i n ASN 567 Cb 0.61 -0.51 0.01 0.00 -0.61 0.00 0.00 39.78 39.27 1r7i n ASN 567 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1r7i n PHE 568 N -1.73 2.19 -3.65 3.10 3.01 -1.25 -4.58 117.46 114.55 1r7i n PHE 568 Ca 0.00 0.52 -0.20 0.00 1.01 0.00 0.00 57.45 58.78 1r7i n PHE 568 Cb 0.00 -2.39 -0.17 0.00 -0.01 0.00 0.00 39.48 36.91 1r7i n PHE 568 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 1r7i s GLN 569 N -2.09 -0.01 -0.23 -1.08 0.74 -1.26 -1.77 119.66 113.96 1r7i s GLN 569 Ca 0.59 0.33 -0.05 0.00 0.05 0.00 0.00 55.36 56.28 1r7i s GLN 569 Cb -0.53 -0.74 -0.01 0.00 1.10 0.00 0.00 33.01 32.83 1r7i s GLN 569 CO 0.60 -0.41 -0.01 0.42 -0.55 0.00 0.00 175.29 175.33 1r7i s ILE 570 N 2.20 3.60 -1.58 -2.34 -1.09 0.54 -0.28 121.20 122.25 1r7i s ILE 570 Ca 0.04 -0.42 -0.07 0.00 -2.23 0.00 0.00 60.65 57.97 1r7i s ILE 570 Cb -0.13 -2.66 0.07 0.00 -1.58 0.00 0.00 42.46 38.16 1r7i s ILE 570 CO -0.05 0.40 0.38 0.59 -1.23 0.00 0.00 174.94 175.02 1r7i n ASN 571 N 4.83 -0.72 0.00 3.58 3.02 0.46 -0.43 115.26 126.00 1r7i n ASN 571 Ca -0.18 -1.13 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 1r7i n ASN 571 Cb 0.51 -2.31 0.00 0.00 -0.61 0.00 0.00 39.78 37.37 1r7i n ASN 571 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r7i n GLY 572 N -1.94 2.27 3.46 7.41 0.00 -1.26 -5.02 105.19 110.12 1r7i n GLY 572 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1r7i n GLY 572 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r7i s ARG 573 N -0.37 3.08 0.36 1.61 0.52 0.43 -5.07 118.95 119.51 1r7i s ARG 573 Ca 0.00 -0.63 -0.27 0.00 -0.52 0.00 0.00 55.73 54.31 1r7i s ARG 573 Cb 0.00 -2.61 -0.10 0.00 0.52 0.00 0.00 34.95 32.77 1r7i s ARG 573 CO 0.00 0.42 1.30 -0.51 0.02 0.00 0.00 175.30 176.53 1r7i s ASP 574 N -0.16 6.57 -0.01 0.23 1.11 -1.26 -0.34 116.67 122.80 1r7i s ASP 574 Ca 0.01 2.67 -0.03 0.00 0.18 0.00 0.00 52.55 55.37 1r7i s ASP 574 Cb -0.13 -2.64 0.00 0.00 1.07 0.00 0.00 42.92 41.22 1r7i s ASP 574 CO 0.03 -0.67 0.07 0.68 1.18 0.00 0.00 175.17 176.46 1r7i s VAL 575 N -1.20 0.04 -0.15 -1.27 -7.23 -0.73 -4.85 120.40 105.01 1r7i s VAL 575 Ca 0.52 -0.33 -0.08 0.00 -1.81 0.00 0.00 61.98 60.29 1r7i s VAL 575 Cb -0.39 -0.22 -0.04 0.00 0.56 0.00 0.00 36.38 36.29 1r7i s VAL 575 CO 0.51 -0.18 0.12 -0.76 -0.31 0.00 0.00 175.10 174.48 1r7i s LEU 576 N -0.55 4.25 -0.23 1.32 1.43 -1.26 -3.97 118.68 119.66 1r7i s LEU 576 Ca -0.06 0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 1r7i s LEU 576 Cb -0.04 -2.05 0.04 0.00 0.03 0.00 0.00 46.19 44.17 1r7i s LEU 576 CO 0.00 0.32 -0.13 -0.69 0.23 0.00 0.00 176.35 176.09 1r7i s VAL 577 N -0.51 2.29 0.31 -1.59 1.01 -1.12 -4.22 120.40 116.57 1r7i s VAL 577 Ca 0.12 -1.30 -0.27 0.00 0.00 0.00 0.00 61.98 60.53 1r7i s VAL 577 Cb -0.12 -2.20 -0.09 0.00 0.00 0.00 0.00 36.38 33.97 1r7i s VAL 577 CO 0.02 0.19 0.99 -2.16 0.00 0.00 0.00 175.10 174.13 1r7i s PRO 578 N 1.21 4.58 -0.04 2.72 0.04 -1.26 -0.23 135.00 142.02 1r7i s PRO 578 Ca -0.03 1.48 -0.03 0.00 0.04 0.00 0.00 61.00 62.45 1r7i s PRO 578 Cb -0.17 -2.92 0.01 0.00 0.04 0.00 0.00 34.50 31.46 1r7i s PRO 578 CO -0.07 0.24 0.10 -0.51 0.04 0.00 0.00 177.00 176.80 1r7i s LEU 579 N -1.87 1.58 -0.20 -3.56 1.43 0.34 -4.27 118.68 112.14 1r7i s LEU 579 Ca 0.49 0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.79 1r7i s LEU 579 Cb -0.23 0.34 0.05 0.00 0.03 0.00 0.00 46.19 46.37 1r7i s LEU 579 CO 0.29 -0.04 -0.08 -0.69 0.23 0.00 0.00 176.35 176.06 1r7i s VAL 580 N 0.10 1.49 0.19 -1.59 1.01 -0.52 -0.81 120.40 120.27 1r7i s VAL 580 Ca -0.00 -0.97 -0.23 0.00 0.00 0.00 0.00 61.98 60.78 1r7i s VAL 580 Cb -0.01 -1.63 0.06 0.00 0.00 0.00 0.00 36.38 34.79 1r7i s VAL 580 CO -0.00 0.10 0.70 0.54 0.00 0.00 0.00 175.10 176.44 1r7i s VAL 581 N 1.45 0.00 -0.62 2.92 0.11 -1.22 -4.29 120.40 118.75 1r7i s VAL 581 Ca -0.02 -0.41 0.16 0.00 -2.93 0.00 0.00 61.98 58.79 1r7i s VAL 581 Cb -0.17 -1.43 -0.19 0.00 -1.53 0.00 0.00 36.38 33.06 1r7i s VAL 581 CO -0.08 0.00 0.63 -1.84 -3.33 0.00 0.00 175.10 170.48 1r7i n GLU 582 N -0.40 1.38 -3.15 1.54 0.00 -1.26 -4.17 120.64 114.58 1r7i n GLU 582 Ca -0.11 -0.03 -0.39 0.00 0.00 0.00 0.00 57.16 56.63 1r7i n GLU 582 Cb 0.62 -1.30 -0.05 0.00 0.00 0.00 0.00 31.44 30.71 1r7i n GLU 582 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1r7i s GLU 583 N -2.67 4.39 0.83 3.44 2.12 -1.26 -5.08 118.70 120.47 1r7i s GLU 583 Ca 0.04 0.73 -0.12 0.00 0.36 0.00 0.00 54.97 55.98 1r7i s GLU 583 Cb 0.12 -3.43 0.09 0.00 0.26 0.00 0.00 34.13 31.17 1r7i s GLU 583 CO 0.68 0.14 1.11 -1.25 -0.54 0.00 0.00 175.26 175.40 1r7i s PRO 584 N 0.58 1.80 0.00 4.30 0.04 -1.26 -4.10 135.00 136.36 1r7i s PRO 584 Ca 0.33 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.94 1r7i s PRO 584 Cb -0.17 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1r7i s PRO 584 CO 0.16 -1.80 0.00 0.43 0.04 0.00 0.00 177.00 175.82 1r7i n SER 585 N -3.55 0.00 0.29 6.66 7.64 -1.26 -4.87 113.62 118.53 1r7i n SER 585 Ca 0.07 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.77 1r7i n SER 585 Cb 0.57 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.67 1r7i n SER 585 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1r7i h ILE 586 N 0.00 0.05 -0.43 0.44 2.04 -1.96 0.83 117.51 118.49 1r7i h ILE 586 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 1r7i h ILE 586 Cb 0.00 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.09 1r7i h ILE 586 CO 0.00 0.00 0.20 0.58 0.00 0.00 0.00 178.15 178.93 1r7i h VAL 587 N -0.97 0.94 0.11 1.67 2.07 -1.89 -1.14 116.25 117.03 1r7i h VAL 587 Ca -0.06 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1r7i h VAL 587 Cb 0.85 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1r7i h VAL 587 CO -0.06 0.07 -0.05 0.00 0.02 0.00 0.00 177.57 177.55 1r7i h ALA 588 N 1.25 -0.15 -0.73 1.67 0.00 -1.94 -1.39 119.26 117.96 1r7i h ALA 588 Ca 0.19 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1r7i h ALA 588 Cb 0.13 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1r7i h ALA 588 CO -0.15 -0.56 0.44 0.00 0.00 0.00 0.00 179.25 178.97 1r7i h ALA 589 N 0.70 0.99 -0.46 0.00 0.00 -0.64 0.71 119.26 120.55 1r7i h ALA 589 Ca -0.02 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1r7i h ALA 589 Cb 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1r7i h ALA 589 CO 0.02 0.17 0.20 0.00 0.00 0.00 0.00 179.25 179.65 1r7i h ALA 590 N 1.35 0.59 -0.40 0.00 0.00 -1.08 -1.86 119.26 117.87 1r7i h ALA 590 Ca 0.32 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1r7i h ALA 590 Cb 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1r7i h ALA 590 CO -0.16 0.18 0.05 0.77 0.00 0.00 0.00 179.25 180.09 1r7i h SER 591 N 0.60 0.65 -0.37 0.00 0.02 -0.66 -1.00 113.55 112.78 1r7i h SER 591 Ca 0.16 -0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 1r7i h SER 591 Cb 0.15 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1r7i h SER 591 CO -0.02 0.76 0.15 0.22 -1.14 0.00 0.00 176.83 176.79 1r7i h TYR 592 N 0.52 0.57 -0.07 3.45 3.20 -0.76 -0.81 116.97 123.05 1r7i h TYR 592 Ca 0.12 -0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.84 1r7i h TYR 592 Cb 0.39 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1r7i h TYR 592 CO 0.03 0.52 -0.45 0.52 -1.64 0.00 0.00 178.16 177.13 1r7i h MET 593 N 0.45 0.17 -0.70 1.82 2.86 -1.31 -1.64 114.93 116.59 1r7i h MET 593 Ca 0.12 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 1r7i h MET 593 Cb 0.19 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 1r7i h MET 593 CO -0.01 0.60 0.25 0.00 1.06 0.00 0.00 176.91 178.81 1r7i h ALA 594 N 1.39 1.12 -0.31 6.32 0.00 -0.82 -0.75 119.26 126.23 1r7i h ALA 594 Ca 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1r7i h ALA 594 Cb 0.86 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1r7i h ALA 594 CO 0.07 0.62 0.17 -0.22 0.00 0.00 0.00 179.25 179.89 1r7i h LYS 595 N 1.02 0.43 -0.26 0.00 3.64 -0.46 -1.70 116.57 119.25 1r7i h LYS 595 Ca 0.23 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 1r7i h LYS 595 Cb 0.24 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1r7i h LYS 595 CO -0.02 0.36 -0.03 -0.07 -2.27 0.00 0.00 179.45 177.42 1r7i h LEU 596 N 0.38 0.36 -1.01 5.20 3.38 -0.98 -2.85 115.31 119.80 1r7i h LEU 596 Ca 0.11 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1r7i h LEU 596 Cb 0.05 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1r7i h LEU 596 CO -0.02 0.45 -0.07 0.00 0.09 0.00 0.00 178.44 178.90 1r7i h ALA 597 N 1.60 1.18 -0.90 1.53 0.00 -0.38 -3.10 119.26 119.19 1r7i h ALA 597 Ca 0.08 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.79 1r7i h ALA 597 Cb 0.31 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1r7i h ALA 597 CO 0.01 0.53 0.58 0.00 0.00 0.00 0.00 179.25 180.37 1r7i h ARG 598 N 0.59 0.99 -0.31 0.00 3.08 -1.08 0.79 114.38 118.43 1r7i h ARG 598 Ca 0.11 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.19 1r7i h ARG 598 Cb 0.47 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1r7i h ARG 598 CO 0.02 0.65 0.22 0.00 -1.07 0.00 0.00 179.97 179.80 1r7i h ALA 599 N 1.51 2.25 -0.36 0.04 0.00 -1.65 -1.93 119.26 119.13 1r7i h ALA 599 Ca 0.39 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.17 1r7i h ALA 599 Cb 0.20 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1r7i h ALA 599 CO -0.14 -0.34 0.02 0.09 0.00 0.00 0.00 179.25 178.88 1r7i n ASN 600 N -4.45 3.36 0.00 0.00 3.02 -0.84 -4.91 115.26 111.44 1r7i n ASN 600 Ca 0.04 -3.36 0.00 0.00 -0.03 0.00 0.00 54.58 51.23 1r7i n ASN 600 Cb 0.37 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 1r7i n ASN 600 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r7i n GLY 601 N -0.78 0.65 7.00 7.41 0.00 -0.73 -4.87 105.19 113.87 1r7i n GLY 601 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1r7i n GLY 601 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r7i n GLY 602 N -1.59 -0.05 3.87 -0.02 0.00 0.27 -4.42 105.19 103.24 1r7i n GLY 602 Ca 0.00 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.67 1r7i n GLY 602 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r7i s PHE 603 N 0.00 3.60 -0.22 1.61 0.40 0.61 -4.69 117.98 119.28 1r7i s PHE 603 Ca 0.00 0.54 -0.05 0.00 -0.60 0.00 0.00 56.93 56.82 1r7i s PHE 603 Cb 0.00 -1.97 -0.02 0.00 0.51 0.00 0.00 43.02 41.55 1r7i s PHE 603 CO 0.00 0.71 -0.01 0.99 0.70 0.00 0.00 175.22 177.62 1r7i s THR 604 N -0.95 3.73 0.35 0.64 2.01 -0.96 -0.41 115.64 120.05 1r7i s THR 604 Ca 0.15 -0.37 0.05 0.00 0.31 0.00 0.00 61.69 61.82 1r7i s THR 604 Cb -0.12 -2.71 -0.07 0.00 0.01 0.00 0.00 72.50 69.61 1r7i s THR 604 CO 0.04 0.40 0.04 0.42 -0.69 0.00 0.00 174.62 174.84 1r7i s THR 605 N 1.40 1.42 0.05 -0.82 -4.23 -1.26 -0.80 115.64 111.41 1r7i s THR 605 Ca 0.05 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.28 1r7i s THR 605 Cb -0.15 -2.84 0.09 0.00 1.34 0.00 0.00 72.50 70.94 1r7i s THR 605 CO -0.00 -0.01 1.08 -0.94 -0.54 0.00 0.00 174.62 174.21 1r7i s SER 606 N -3.55 -0.16 0.21 3.99 1.04 -0.61 -4.96 113.70 109.66 1r7i s SER 606 Ca 0.36 -0.24 -0.22 0.00 0.48 0.00 0.00 55.95 56.33 1r7i s SER 606 Cb 0.09 0.34 0.05 0.00 0.10 0.00 0.00 66.02 66.60 1r7i s SER 606 CO 0.16 -0.62 0.65 -0.94 0.98 0.00 0.00 173.24 173.47 1r7i s SER 607 N -2.85 -0.44 0.85 7.02 1.04 -1.26 0.31 113.70 118.37 1r7i s SER 607 Ca 0.12 -0.26 -0.08 0.00 0.48 0.00 0.00 55.95 56.21 1r7i s SER 607 Cb 0.01 0.65 0.17 0.00 0.10 0.00 0.00 66.02 66.95 1r7i s SER 607 CO -0.02 -1.13 1.17 -0.94 0.98 0.00 0.00 173.24 173.31 1r7i s SER 608 N -2.82 3.63 0.57 7.02 1.04 -0.48 -5.01 113.70 117.65 1r7i s SER 608 Ca 0.05 -0.11 -0.18 0.00 0.48 0.00 0.00 55.95 56.19 1r7i s SER 608 Cb -0.03 -0.06 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 1r7i s SER 608 CO -0.05 -2.36 1.12 0.00 0.98 0.00 0.00 173.24 172.93 1r7i s ALA 609 N -3.54 2.65 -0.69 5.32 0.00 -1.26 -4.81 121.76 119.43 1r7i s ALA 609 Ca 0.71 0.72 -0.25 0.00 0.00 0.00 0.00 51.96 53.14 1r7i s ALA 609 Cb -0.04 -3.34 -0.21 0.00 0.00 0.00 0.00 23.12 19.54 1r7i s ALA 609 CO 0.49 -0.88 1.86 -0.35 0.00 0.00 0.00 175.76 176.88 1r7i n PRO 610 N -1.61 1.02 -3.59 0.00 -0.04 -1.26 -4.57 135.00 124.94 1r7i n PRO 610 Ca 0.11 -1.75 -0.37 0.00 -0.04 0.00 0.00 63.50 61.46 1r7i n PRO 610 Cb 0.51 -3.07 -0.09 0.00 -0.04 0.00 0.00 33.50 30.82 1r7i n PRO 610 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1r7i s LEU 611 N 4.32 4.14 0.15 1.53 1.43 -1.26 -1.49 118.68 127.50 1r7i s LEU 611 Ca 0.65 0.25 0.10 0.00 -1.03 0.00 0.00 54.13 54.09 1r7i s LEU 611 Cb 0.10 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1r7i s LEU 611 CO 0.19 0.04 -0.22 -0.04 0.23 0.00 0.00 176.35 176.54 1r7i s MET 612 N 1.03 1.33 0.02 1.70 -1.94 0.03 -3.46 119.30 118.01 1r7i s MET 612 Ca 0.11 -1.37 -0.01 0.00 -1.71 0.00 0.00 55.69 52.71 1r7i s MET 612 Cb -0.14 -1.60 -0.04 0.00 2.01 0.00 0.00 34.83 35.06 1r7i s MET 612 CO 0.05 0.35 0.17 -1.01 -0.01 0.00 0.00 175.02 174.57 1r7i s HIS 613 N -1.52 3.48 -0.13 -0.03 0.09 -1.26 -0.83 115.29 115.08 1r7i s HIS 613 Ca 0.14 0.29 0.01 0.00 -0.00 0.00 0.00 55.06 55.50 1r7i s HIS 613 Cb -0.08 -1.78 0.02 0.00 -0.00 0.00 0.00 32.58 30.73 1r7i s HIS 613 CO 0.07 0.61 -0.17 0.00 -0.00 0.00 0.00 174.74 175.25 1r7i s ALA 614 N -1.37 1.90 -0.02 -1.40 0.00 -0.60 -2.44 121.76 117.84 1r7i s ALA 614 Ca 0.29 -0.89 -0.17 0.00 0.00 0.00 0.00 51.96 51.19 1r7i s ALA 614 Cb -0.13 -0.95 -0.05 0.00 0.00 0.00 0.00 23.12 21.99 1r7i s ALA 614 CO 0.21 -0.17 0.46 -0.65 0.00 0.00 0.00 175.76 175.61 1r7i s GLN 615 N 1.12 4.11 -0.34 0.00 -0.21 0.79 -1.11 119.66 124.02 1r7i s GLN 615 Ca -0.03 0.49 0.01 0.00 0.02 0.00 0.00 55.36 55.86 1r7i s GLN 615 Cb -0.14 -3.29 0.11 0.00 1.00 0.00 0.00 33.01 30.68 1r7i s GLN 615 CO -0.05 0.51 0.11 0.08 -2.12 0.00 0.00 175.29 173.82 1r7i s VAL 616 N -0.55 1.41 -0.02 1.09 1.01 0.21 -1.40 120.40 122.15 1r7i s VAL 616 Ca 0.25 -1.90 -0.28 0.00 0.00 0.00 0.00 61.98 60.06 1r7i s VAL 616 Cb -0.17 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1r7i s VAL 616 CO 0.14 -0.69 0.89 -1.58 0.00 0.00 0.00 175.10 173.86 1r7i s GLN 617 N 1.17 4.53 -0.09 2.72 0.74 -0.51 -0.93 119.66 127.28 1r7i s GLN 617 Ca 0.11 1.25 0.04 0.00 0.05 0.00 0.00 55.36 56.81 1r7i s GLN 617 Cb -0.19 -3.45 0.00 0.00 1.10 0.00 0.00 33.01 30.47 1r7i s GLN 617 CO -0.16 0.00 -0.21 0.42 -0.55 0.00 0.00 175.29 174.80 1r7i s ILE 618 N 0.89 1.80 0.41 -2.34 1.01 0.13 -0.08 121.20 123.02 1r7i s ILE 618 Ca 0.47 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 60.29 1r7i s ILE 618 Cb -0.20 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 1r7i s ILE 618 CO 0.25 0.50 0.06 0.68 0.00 0.00 0.00 174.94 176.43 1r7i s VAL 619 N 0.42 1.16 0.00 2.92 -7.23 -0.43 -1.59 120.40 115.66 1r7i s VAL 619 Ca -0.18 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 57.99 1r7i s VAL 619 Cb -0.17 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.21 1r7i s VAL 619 CO 0.07 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 1r7i n GLY 620 N -0.94 0.61 3.81 2.32 0.00 -1.26 -0.68 105.19 109.05 1r7i n GLY 620 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 1r7i n GLY 620 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1r7i s ILE 621 N -2.46 5.38 -0.45 -0.61 -4.36 -1.26 -4.71 121.20 112.72 1r7i s ILE 621 Ca 0.00 0.36 0.23 0.00 -0.26 0.00 0.00 60.65 60.98 1r7i s ILE 621 Cb 0.00 -3.51 0.06 0.00 1.25 0.00 0.00 42.46 40.26 1r7i s ILE 621 CO 0.00 0.53 1.23 1.56 0.24 0.00 0.00 174.94 178.50 1r7i h GLN 622 N 5.69 0.00 -2.08 0.37 4.20 -1.96 -3.36 115.11 117.97 1r7i h GLN 622 Ca -0.48 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 57.66 1r7i h GLN 622 Cb 1.20 0.00 -0.42 0.00 0.30 0.00 0.00 27.48 28.56 1r7i h GLN 622 CO 0.66 0.00 -0.75 -0.40 -0.67 0.00 0.00 178.83 177.68 1r7i n ASP 623 N -2.44 3.96 -0.31 1.46 5.75 -1.26 -4.90 116.55 118.80 1r7i n ASP 623 Ca 0.02 -3.57 0.08 0.00 -0.01 0.00 0.00 54.79 51.31 1r7i n ASP 623 Cb 0.49 -0.55 0.24 0.00 -1.03 0.00 0.00 41.12 40.28 1r7i n ASP 623 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1r7i h PRO 624 N 2.92 0.66 -0.82 0.11 0.13 -1.97 0.38 132.00 133.42 1r7i h PRO 624 Ca 0.15 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.21 1r7i h PRO 624 Cb 0.65 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 31.59 1r7i h PRO 624 CO 0.77 0.44 0.40 -0.07 -0.23 0.00 0.00 178.00 179.31 1r7i h LEU 625 N 0.68 1.06 -0.11 1.56 3.38 -1.96 0.46 115.31 120.39 1r7i h LEU 625 Ca 0.49 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 58.17 1r7i h LEU 625 Cb 0.69 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.17 1r7i h LEU 625 CO -0.36 0.89 -0.57 -1.13 0.09 0.00 0.00 178.44 177.36 1r7i h ASN 626 N 1.16 0.69 -0.91 -0.43 -1.24 -1.60 -3.09 115.58 110.18 1r7i h ASN 626 Ca 0.28 -0.64 0.11 0.00 0.71 0.00 0.00 56.30 56.76 1r7i h ASN 626 Cb 0.11 -0.21 -0.07 0.00 0.73 0.00 0.00 38.32 38.88 1r7i h ASN 626 CO -0.04 1.22 0.58 0.00 -1.29 0.00 0.00 177.43 177.91 1r7i h ALA 627 N 0.49 1.64 -0.66 1.57 0.00 0.08 -1.31 119.26 121.07 1r7i h ALA 627 Ca -0.04 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1r7i h ALA 627 Cb 1.21 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 1r7i h ALA 627 CO 0.12 0.16 0.39 -0.09 0.00 0.00 0.00 179.25 179.82 1r7i h ARG 628 N 0.88 0.71 -0.17 0.00 2.43 -0.83 -1.67 114.38 115.73 1r7i h ARG 628 Ca 0.43 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.48 1r7i h ARG 628 Cb 0.46 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1r7i h ARG 628 CO -0.19 0.47 -0.26 -0.07 -1.51 0.00 0.00 179.97 178.41 1r7i h LEU 629 N 0.73 0.30 -0.77 3.80 3.38 -1.24 -1.50 115.31 120.01 1r7i h LEU 629 Ca 0.28 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1r7i h LEU 629 Cb 0.11 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1r7i h LEU 629 CO -0.15 0.56 0.25 0.28 0.09 0.00 0.00 178.44 179.48 1r7i h SER 630 N 0.27 1.10 -0.08 -0.43 0.02 -0.91 0.69 113.55 114.21 1r7i h SER 630 Ca 0.04 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 1r7i h SER 630 Cb 0.60 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 1r7i h SER 630 CO 0.04 1.01 0.00 -0.07 -1.14 0.00 0.00 176.83 176.67 1r7i h LEU 631 N 1.13 0.14 -1.53 5.07 3.38 -0.88 -2.50 115.31 120.11 1r7i h LEU 631 Ca 0.25 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.96 1r7i h LEU 631 Cb 0.29 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1r7i h LEU 631 CO -0.01 0.40 0.36 -0.07 0.09 0.00 0.00 178.44 179.21 1r7i h LEU 632 N -0.12 0.52 -0.53 1.67 3.38 -1.10 -0.03 115.31 119.10 1r7i h LEU 632 Ca 0.02 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1r7i h LEU 632 Cb 0.32 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1r7i h LEU 632 CO 0.00 0.36 0.31 -0.09 0.09 0.00 0.00 178.44 179.11 1r7i h ARG 633 N 0.60 0.60 -0.70 1.13 1.12 -0.56 -2.51 114.38 114.06 1r7i h ARG 633 Ca 0.22 -0.04 -0.25 0.00 -1.11 0.00 0.00 59.98 58.81 1r7i h ARG 633 Cb 0.14 -0.13 -0.15 0.00 -0.01 0.00 0.00 29.97 29.81 1r7i h ARG 633 CO -0.06 0.39 0.28 0.54 -3.11 0.00 0.00 179.97 178.01 1r7i n ARG 634 N -4.80 3.20 -0.24 0.20 1.74 -0.51 -4.71 116.66 111.54 1r7i n ARG 634 Ca 0.04 -3.07 -0.02 0.00 -0.77 0.00 0.00 57.85 54.03 1r7i n ARG 634 Cb 0.08 -2.14 0.05 0.00 -1.02 0.00 0.00 32.46 29.44 1r7i n ARG 634 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1r7i h LYS 635 N 2.12 -0.06 0.00 5.56 3.64 -0.58 0.25 116.57 127.49 1r7i h LYS 635 Ca 0.31 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.66 1r7i h LYS 635 Cb 2.29 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 34.12 1r7i h LYS 635 CO 0.72 -0.04 -0.15 -0.44 -2.27 0.00 0.00 179.45 177.27 1r7i h ASP 636 N -0.07 0.00 0.03 4.20 3.32 -1.84 0.10 116.42 122.16 1r7i h ASP 636 Ca 0.30 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.08 1r7i h ASP 636 Cb 0.54 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.12 1r7i h ASP 636 CO -0.73 0.15 -1.08 -0.08 -1.72 0.00 0.00 179.24 175.79 1r7i h GLU 637 N 0.00 0.69 -0.35 3.56 4.81 -1.36 -2.67 114.58 119.27 1r7i h GLU 637 Ca -0.00 -0.77 -0.12 0.00 -0.13 0.00 0.00 59.36 58.34 1r7i h GLU 637 Cb 0.38 0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1r7i h GLU 637 CO 0.02 1.34 -0.25 0.82 -0.73 0.00 0.00 179.01 180.21 1r7i h ILE 638 N 0.38 1.29 -0.44 2.32 2.04 -0.60 -2.64 117.51 119.85 1r7i h ILE 638 Ca -0.14 -1.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.31 1r7i h ILE 638 Cb 1.73 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 39.21 1r7i h ILE 638 CO 0.21 0.46 0.23 0.40 0.00 0.00 0.00 178.15 179.45 1r7i h ILE 639 N 0.56 1.14 -0.02 -0.67 2.04 -0.86 -2.29 117.51 117.41 1r7i h ILE 639 Ca 0.07 -0.37 -0.23 0.00 1.00 0.00 0.00 64.86 65.33 1r7i h ILE 639 Cb 0.81 0.56 0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1r7i h ILE 639 CO 0.07 0.16 -0.92 -0.33 0.00 0.00 0.00 178.15 177.12 1r7i h GLU 640 N 0.61 0.50 -0.18 2.37 5.08 -1.37 -1.77 114.58 119.82 1r7i h GLU 640 Ca 0.16 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 1r7i h GLU 640 Cb 0.03 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1r7i h GLU 640 CO -0.02 1.15 0.07 1.25 -1.00 0.00 0.00 179.01 180.45 1r7i h LEU 641 N 0.30 0.25 -0.97 1.33 5.85 -1.25 -1.69 115.31 119.12 1r7i h LEU 641 Ca -0.08 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.47 1r7i h LEU 641 Cb 1.56 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.47 1r7i h LEU 641 CO 0.17 0.36 0.64 0.00 -0.34 0.00 0.00 178.44 179.26 1r7i h ALA 642 N 0.91 1.23 0.00 1.25 0.00 -1.42 -2.51 119.26 118.72 1r7i h ALA 642 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1r7i h ALA 642 Cb 0.18 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1r7i h ALA 642 CO -0.00 0.64 0.00 0.09 0.00 0.00 0.00 179.25 179.97 1r7i n ASN 643 N -4.39 0.00 -1.24 0.00 3.02 -0.67 -2.84 115.26 109.13 1r7i n ASN 643 Ca 0.11 0.21 0.10 0.00 -0.03 0.00 0.00 54.58 54.98 1r7i n ASN 643 Cb 0.02 -0.39 0.30 0.00 -0.61 0.00 0.00 39.78 39.09 1r7i n ASN 643 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1r7i n ARG 644 N -1.39 2.61 0.00 3.52 1.85 -0.67 -3.92 116.66 118.66 1r7i n ARG 644 Ca 0.09 -2.40 0.11 0.00 -1.00 0.00 0.00 57.85 54.64 1r7i n ARG 644 Cb 0.24 -1.54 0.02 0.00 -1.05 0.00 0.00 32.46 30.12 1r7i n ARG 644 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1r7i n LYS 645 N 1.41 1.48 -2.75 2.89 4.01 -1.13 -4.71 118.16 119.36 1r7i n LYS 645 Ca 0.22 -1.14 -0.05 0.00 -0.51 0.00 0.00 58.31 56.83 1r7i n LYS 645 Cb 0.58 -1.43 0.03 0.00 -0.51 0.00 0.00 35.03 33.69 1r7i n LYS 645 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1r7i n ASP 646 N 0.23 -3.05 0.12 4.39 -0.08 -1.25 -5.02 116.55 111.88 1r7i n ASP 646 Ca 0.10 -2.87 -0.00 0.00 -1.51 0.00 0.00 54.79 50.50 1r7i n ASP 646 Cb 0.47 1.67 0.28 0.00 2.34 0.00 0.00 41.12 45.88 1r7i n ASP 646 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1r7i h GLN 647 N 4.53 0.18 -0.45 -0.67 1.08 -1.85 -3.13 115.11 114.80 1r7i h GLN 647 Ca -0.03 -0.07 0.05 0.00 -1.45 0.00 0.00 58.65 57.15 1r7i h GLN 647 Cb 1.09 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 28.46 1r7i h GLN 647 CO 0.10 0.51 0.17 1.25 -0.95 0.00 0.00 178.83 179.92 1r7i h LEU 648 N 0.15 0.20 -0.59 1.46 5.85 -1.95 -0.24 115.31 120.20 1r7i h LEU 648 Ca 0.02 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1r7i h LEU 648 Cb 0.70 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1r7i h LEU 648 CO 0.05 0.15 0.38 0.25 -0.34 0.00 0.00 178.44 178.93 1r7i h LEU 649 N 0.36 0.63 -0.75 2.25 5.85 -1.91 0.37 115.31 122.11 1r7i h LEU 649 Ca 0.21 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.94 1r7i h LEU 649 Cb 0.19 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1r7i h LEU 649 CO -0.20 0.45 0.49 0.78 -0.34 0.00 0.00 178.44 179.62 1r7i h ASN 650 N 0.76 0.83 0.12 1.25 2.35 -1.35 0.28 115.58 119.82 1r7i h ASN 650 Ca 0.23 -0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.84 1r7i h ASN 650 Cb -0.04 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 1r7i h ASN 650 CO -0.07 0.59 -0.43 0.77 -1.65 0.00 0.00 177.43 176.64 1r7i h SER 651 N 0.98 0.41 0.47 5.81 4.64 -0.43 -1.70 113.55 123.73 1r7i h SER 651 Ca 0.28 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1r7i h SER 651 Cb -0.07 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 1r7i h SER 651 CO -0.08 0.79 0.00 0.18 -0.87 0.00 0.00 176.83 176.85 1r7i n LEU 652 N -4.01 0.00 0.00 5.97 4.32 0.12 -4.84 117.00 118.56 1r7i n LEU 652 Ca -0.02 0.43 0.00 0.00 -0.02 0.00 0.00 56.01 56.40 1r7i n LEU 652 Cb 0.51 -0.43 0.00 0.00 -1.62 0.00 0.00 43.42 41.88 1r7i n LEU 652 CO 0.43 -0.19 0.00 0.61 -1.22 0.00 0.00 177.39 177.02 1r7i n GLY 653 N 0.15 1.04 0.00 -0.72 0.00 -0.07 -5.03 105.19 100.57 1r7i n GLY 653 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1r7i n GLY 653 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r7i n GLY 654 N -1.91 6.94 0.00 -0.02 0.00 0.81 -4.91 105.19 106.10 1r7i n GLY 654 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1r7i n GLY 654 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r7i n GLY 655 N 3.78 2.31 3.72 -0.02 0.00 0.16 -3.81 105.19 111.33 1r7i n GLY 655 Ca 0.00 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 1r7i n GLY 655 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r7i n ARG 657 N 3.96 5.24 -3.62 0.00 5.12 0.45 -4.94 116.66 122.88 1r7i n ARG 657 Ca 0.15 -0.05 0.03 0.00 -1.93 0.00 0.00 57.85 56.05 1r7i n ARG 657 Cb 0.37 -0.72 0.00 0.00 -1.16 0.00 0.00 32.46 30.95 1r7i n ARG 657 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1r7i s ASP 658 N -1.31 -0.01 -0.04 0.55 -1.08 -1.21 -5.01 116.67 108.56 1r7i s ASP 658 Ca 0.02 -0.04 -0.00 0.00 -0.52 0.00 0.00 52.55 52.01 1r7i s ASP 658 Cb 0.03 0.05 0.03 0.00 -1.46 0.00 0.00 42.92 41.56 1r7i s ASP 658 CO 0.16 -0.09 0.01 -0.63 0.52 0.00 0.00 175.17 175.14 1r7i s ILE 659 N -2.11 0.19 -0.01 4.11 1.01 -1.26 -0.84 121.20 122.29 1r7i s ILE 659 Ca 0.16 0.12 0.06 0.00 0.00 0.00 0.00 60.65 61.00 1r7i s ILE 659 Cb 0.06 -0.31 -0.03 0.00 0.01 0.00 0.00 42.46 42.20 1r7i s ILE 659 CO -0.06 0.17 -0.20 -1.61 0.00 0.00 0.00 174.94 173.24 1r7i s GLU 660 N 1.27 2.22 -0.06 2.79 2.02 -0.65 -4.96 118.70 121.34 1r7i s GLU 660 Ca -0.06 -0.87 0.03 0.00 0.02 0.00 0.00 54.97 54.09 1r7i s GLU 660 Cb -0.13 -2.19 0.01 0.00 0.10 0.00 0.00 34.13 31.91 1r7i s GLU 660 CO -0.02 0.58 -0.14 0.08 0.02 0.00 0.00 175.26 175.78 1r7i s VAL 661 N -0.74 1.22 0.12 2.63 1.01 -1.26 0.15 120.40 123.52 1r7i s VAL 661 Ca 0.12 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.62 1r7i s VAL 661 Cb -0.10 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1r7i s VAL 661 CO 0.01 0.37 -0.20 -1.00 0.00 0.00 0.00 175.10 174.28 1r7i s HIS 662 N 0.43 1.76 0.14 5.22 3.76 0.11 -4.97 115.29 121.74 1r7i s HIS 662 Ca -0.11 -0.44 0.08 0.00 -0.15 0.00 0.00 55.06 54.44 1r7i s HIS 662 Cb -0.14 -0.94 -0.04 0.00 1.11 0.00 0.00 32.58 32.58 1r7i s HIS 662 CO 0.03 0.23 -0.18 0.95 -0.85 0.00 0.00 174.74 174.92 1r7i s THR 663 N -1.46 1.70 -0.43 1.30 -4.23 -1.26 0.86 115.64 112.12 1r7i s THR 663 Ca 0.09 -1.75 0.05 0.00 -1.18 0.00 0.00 61.69 58.90 1r7i s THR 663 Cb -0.09 -1.69 0.20 0.00 1.34 0.00 0.00 72.50 72.26 1r7i s THR 663 CO 0.05 -0.24 0.47 0.49 -0.54 0.00 0.00 174.62 174.84 1r7i n PHE 664 N 0.61 -1.36 -0.13 3.99 3.01 0.13 -4.99 117.46 118.71 1r7i n PHE 664 Ca -0.16 -3.00 -0.06 0.00 1.01 0.00 0.00 57.45 55.25 1r7i n PHE 664 Cb 0.56 0.37 0.03 0.00 -0.01 0.00 0.00 39.48 40.43 1r7i n PHE 664 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1r7i h ALA 665 N 5.06 0.51 -2.69 4.37 0.00 -1.89 0.11 119.26 124.72 1r7i h ALA 665 Ca 0.17 0.02 -0.72 0.00 0.00 0.00 0.00 54.91 54.38 1r7i h ALA 665 Cb 0.94 -0.05 -0.25 0.00 0.00 0.00 0.00 17.79 18.43 1r7i h ALA 665 CO 0.34 -0.17 -0.46 0.34 0.00 0.00 0.00 179.25 179.30 1r7i s ASP 666 N -5.44 5.81 0.09 0.00 2.15 -1.26 -2.85 116.67 115.17 1r7i s ASP 666 Ca -0.13 -1.19 -0.04 0.00 0.43 0.00 0.00 52.55 51.62 1r7i s ASP 666 Cb 0.12 -2.05 -0.02 0.00 -0.30 0.00 0.00 42.92 40.67 1r7i s ASP 666 CO 0.72 -0.48 0.09 0.42 -0.17 0.00 0.00 175.17 175.76 1r7i s THR 667 N 1.54 0.15 0.50 1.71 -4.23 -1.17 -5.01 115.64 109.14 1r7i s THR 667 Ca 0.03 -1.58 0.20 0.00 -1.18 0.00 0.00 61.69 59.16 1r7i s THR 667 Cb -0.21 -1.60 0.27 0.00 1.34 0.00 0.00 72.50 72.30 1r7i s THR 667 CO 0.06 -0.70 2.12 -0.65 -0.54 0.00 0.00 174.62 174.90 1r7i h PRO 668 N 2.90 0.00 -0.12 3.99 0.11 -1.99 -1.29 132.00 135.59 1r7i h PRO 668 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1r7i h PRO 668 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1r7i h PRO 668 CO 0.59 0.07 0.00 0.54 -0.21 0.00 0.00 178.00 178.99 1r7i n ARG 669 N -4.19 1.72 0.00 1.05 5.12 -1.26 -5.05 116.66 114.06 1r7i n ARG 669 Ca -0.03 -1.08 0.00 0.00 -1.93 0.00 0.00 57.85 54.82 1r7i n ARG 669 Cb 0.15 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.03 1r7i n ARG 669 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1r7i n GLY 670 N 1.15 -0.98 3.76 -0.13 0.00 -0.49 -5.01 105.19 103.49 1r7i n GLY 670 Ca 0.17 -2.20 -0.40 0.00 0.00 0.00 0.00 46.02 43.59 1r7i n GLY 670 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1r7i s PRO 671 N -0.27 4.70 -0.01 1.61 0.04 -1.13 -3.06 135.00 136.88 1r7i s PRO 671 Ca 0.00 1.32 0.05 0.00 0.04 0.00 0.00 61.00 62.41 1r7i s PRO 671 Cb 0.00 -3.28 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 1r7i s PRO 671 CO 0.00 0.51 -0.15 -1.64 0.04 0.00 0.00 177.00 175.76 1r7i s MET 672 N -1.04 1.21 -0.06 4.56 -1.94 0.37 -4.40 119.30 118.00 1r7i s MET 672 Ca 0.39 -0.54 0.05 0.00 -1.71 0.00 0.00 55.69 53.88 1r7i s MET 672 Cb -0.24 -1.17 -0.02 0.00 2.01 0.00 0.00 34.83 35.41 1r7i s MET 672 CO 0.29 0.32 -0.22 -1.17 -0.01 0.00 0.00 175.02 174.23 1r7i s LEU 673 N -0.36 2.26 -0.11 -0.03 2.96 -0.62 0.20 118.68 122.99 1r7i s LEU 673 Ca 0.06 -0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 53.53 1r7i s LEU 673 Cb -0.06 -1.43 0.03 0.00 0.50 0.00 0.00 46.19 45.23 1r7i s LEU 673 CO -0.01 0.27 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.56 1r7i s VAL 674 N -0.28 0.76 0.17 1.68 1.01 0.25 0.21 120.40 124.20 1r7i s VAL 674 Ca 0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 61.98 61.70 1r7i s VAL 674 Cb -0.13 -0.87 -0.07 0.00 0.00 0.00 0.00 36.38 35.31 1r7i s VAL 674 CO 0.03 0.27 0.50 0.00 0.00 0.00 0.00 175.10 175.90 1r7i s ALA 675 N 1.81 3.62 -0.23 5.51 0.00 -0.10 0.10 121.76 132.46 1r7i s ALA 675 Ca 0.04 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 51.73 1r7i s ALA 675 Cb -0.13 -2.39 0.05 0.00 0.00 0.00 0.00 23.12 20.65 1r7i s ALA 675 CO -0.07 0.52 -0.10 -1.01 0.00 0.00 0.00 175.76 175.10 1r7i s HIS 676 N -1.64 2.83 -0.10 0.00 3.76 0.39 -0.62 115.29 119.90 1r7i s HIS 676 Ca 0.42 -1.97 -0.24 0.00 -0.15 0.00 0.00 55.06 53.12 1r7i s HIS 676 Cb -0.13 -1.78 -0.03 0.00 1.11 0.00 0.00 32.58 31.75 1r7i s HIS 676 CO 0.21 -0.82 0.74 -0.51 -0.85 0.00 0.00 174.74 173.50 1r7i s LEU 677 N 1.25 4.26 -0.37 0.89 1.43 -0.26 -1.64 118.68 124.24 1r7i s LEU 677 Ca -0.05 1.16 -0.16 0.00 -1.03 0.00 0.00 54.13 54.06 1r7i s LEU 677 Cb -0.18 -3.12 0.00 0.00 0.03 0.00 0.00 46.19 42.92 1r7i s LEU 677 CO -0.07 -0.21 0.36 -0.63 0.23 0.00 0.00 176.35 176.04 1r7i s ILE 678 N 1.27 5.17 -0.06 -0.59 -1.09 -0.02 -1.55 121.20 124.33 1r7i s ILE 678 Ca 0.37 -0.18 0.04 0.00 -2.23 0.00 0.00 60.65 58.66 1r7i s ILE 678 Cb -0.17 -3.89 0.00 0.00 -1.58 0.00 0.00 42.46 36.82 1r7i s ILE 678 CO 0.16 -0.21 -0.18 -0.69 -1.23 0.00 0.00 174.94 172.80 1r7i s VAL 679 N 1.98 1.51 -0.35 2.92 1.01 -0.01 -0.42 120.40 127.04 1r7i s VAL 679 Ca 0.10 -0.74 -0.23 0.00 0.00 0.00 0.00 61.98 61.12 1r7i s VAL 679 Cb -0.17 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 34.90 1r7i s VAL 679 CO 0.12 0.43 0.76 -0.62 0.00 0.00 0.00 175.10 175.79 1r7i s ASP 680 N 0.22 6.55 -0.20 3.32 -1.08 -0.49 -0.79 116.67 124.20 1r7i s ASP 680 Ca -0.09 0.37 0.15 0.00 -0.52 0.00 0.00 52.55 52.46 1r7i s ASP 680 Cb -0.14 -2.39 0.72 0.00 -1.46 0.00 0.00 42.92 39.66 1r7i s ASP 680 CO 0.04 -0.69 1.64 1.33 0.52 0.00 0.00 175.17 178.01 1r7i n VAL 681 N 5.71 2.51 0.00 1.11 0.24 -0.55 -0.67 118.33 126.68 1r7i n VAL 681 Ca 0.02 -1.52 0.00 0.00 -2.04 0.00 0.00 64.34 60.80 1r7i n VAL 681 Cb 0.48 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 1r7i n VAL 681 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1r7i n ARG 682 N 0.34 0.00 -0.32 7.34 5.12 -1.26 -1.34 116.66 126.54 1r7i n ARG 682 Ca 0.26 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.29 1r7i n ARG 682 Cb 1.07 0.00 0.28 0.00 -1.16 0.00 0.00 32.46 32.65 1r7i n ARG 682 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1r7i n ASP 683 N 5.51 3.75 -4.96 0.55 8.00 -1.26 -4.57 116.55 123.56 1r7i n ASP 683 Ca 0.00 -1.99 -0.22 0.00 0.71 0.00 0.00 54.79 53.29 1r7i n ASP 683 Cb 0.00 -0.42 0.01 0.00 -0.02 0.00 0.00 41.12 40.69 1r7i n ASP 683 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r7i s ALA 684 N -1.08 3.89 0.21 2.24 0.00 -0.45 -0.11 121.76 126.46 1r7i s ALA 684 Ca 0.44 -1.18 0.03 0.00 0.00 0.00 0.00 51.96 51.25 1r7i s ALA 684 Cb 0.23 -2.01 0.16 0.00 0.00 0.00 0.00 23.12 21.50 1r7i s ALA 684 CO 0.31 -0.30 1.50 1.98 0.00 0.00 0.00 175.76 179.25 1r7i h MET 685 N 0.52 0.27 0.00 0.00 4.05 -1.84 -3.41 114.93 114.51 1r7i h MET 685 Ca -0.46 -0.21 0.00 0.00 -0.28 0.00 0.00 59.70 58.75 1r7i h MET 685 Cb 1.26 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.10 1r7i h MET 685 CO 0.56 0.85 0.00 0.41 0.23 0.00 0.00 176.91 178.96 1r7i n GLY 686 N 0.44 2.48 0.37 1.39 0.00 -1.26 -4.69 105.19 103.92 1r7i n GLY 686 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1r7i n GLY 686 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r7i h ALA 687 N 0.00 -0.63 -0.08 4.61 0.00 -1.98 0.15 119.26 121.33 1r7i h ALA 687 Ca 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1r7i h ALA 687 Cb 0.00 1.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1r7i h ALA 687 CO 0.00 -0.89 -0.45 -0.91 0.00 0.00 0.00 179.25 176.99 1r7i h ASN 688 N -0.23 0.21 -0.39 0.00 2.35 -1.98 0.57 115.58 116.10 1r7i h ASN 688 Ca 0.08 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1r7i h ASN 688 Cb 0.45 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 1r7i h ASN 688 CO -0.59 0.63 0.23 0.74 -1.65 0.00 0.00 177.43 176.79 1r7i h THR 689 N 0.16 1.14 -0.05 2.81 2.02 -1.87 -0.49 112.91 116.63 1r7i h THR 689 Ca 0.01 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 66.81 1r7i h THR 689 Cb 0.87 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1r7i h THR 689 CO 0.07 0.14 -0.12 0.58 0.37 0.00 0.00 175.52 176.56 1r7i h VAL 690 N 0.51 1.43 -0.79 3.16 2.07 -0.78 -2.96 116.25 118.90 1r7i h VAL 690 Ca 0.14 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1r7i h VAL 690 Cb 0.03 2.28 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 1r7i h VAL 690 CO -0.02 0.41 0.50 0.78 0.02 0.00 0.00 177.57 179.26 1r7i h ASN 691 N -0.34 0.92 0.05 0.57 2.35 0.22 -1.62 115.58 117.72 1r7i h ASN 691 Ca -0.00 -0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.74 1r7i h ASN 691 Cb 0.72 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.81 1r7i h ASN 691 CO 0.03 0.68 -0.38 0.74 -1.65 0.00 0.00 177.43 176.85 1r7i h THR 692 N 1.07 0.21 -0.68 2.81 2.02 -1.15 -1.42 112.91 115.77 1r7i h THR 692 Ca 0.29 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.48 1r7i h THR 692 Cb -0.09 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.49 1r7i h THR 692 CO -0.06 0.00 0.45 0.24 0.37 0.00 0.00 175.52 176.52 1r7i h MET 693 N -0.57 0.88 -0.94 6.66 2.86 -1.31 -1.84 114.93 120.67 1r7i h MET 693 Ca 0.04 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1r7i h MET 693 Cb 0.63 -0.20 -0.05 0.00 0.06 0.00 0.00 31.60 32.05 1r7i h MET 693 CO -0.27 0.58 0.61 0.00 1.06 0.00 0.00 176.91 178.90 1r7i h ALA 694 N 1.58 1.19 -0.02 6.32 0.00 -0.67 -1.77 119.26 125.90 1r7i h ALA 694 Ca 0.25 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 1r7i h ALA 694 Cb -0.08 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.31 1r7i h ALA 694 CO -0.06 0.61 -0.62 0.93 0.00 0.00 0.00 179.25 180.11 1r7i h GLU 695 N 1.28 0.07 0.00 0.00 5.08 -0.59 -2.25 114.58 118.17 1r7i h GLU 695 Ca 0.34 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.54 1r7i h GLU 695 Cb -0.12 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1r7i h GLU 695 CO -0.07 0.67 -0.53 0.00 -1.00 0.00 0.00 179.01 178.08 1r7i h ALA 696 N 1.32 1.11 0.00 3.43 0.00 -0.57 -3.24 119.26 121.31 1r7i h ALA 696 Ca -0.01 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 1r7i h ALA 696 Cb 1.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1r7i h ALA 696 CO 0.09 0.66 -1.49 1.33 0.00 0.00 0.00 179.25 179.84 1r7i n VAL 697 N -3.89 0.61 -0.30 0.00 0.24 -0.76 -4.43 118.33 109.81 1r7i n VAL 697 Ca -0.01 -0.59 0.13 0.00 -2.04 0.00 0.00 64.34 61.83 1r7i n VAL 697 Cb 0.54 -0.33 0.28 0.00 -1.47 0.00 0.00 33.84 32.87 1r7i n VAL 697 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1r7i h ALA 698 N 1.81 1.25 -0.38 2.33 0.00 -1.43 0.05 119.26 122.89 1r7i h ALA 698 Ca -0.07 0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1r7i h ALA 698 Cb 1.21 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1r7i h ALA 698 CO 0.01 -0.46 0.08 -1.00 0.00 0.00 0.00 179.25 177.88 1r7i h PRO 699 N 0.20 0.62 -0.87 0.00 0.13 -1.77 -1.63 132.00 128.67 1r7i h PRO 699 Ca 0.55 -0.15 -0.02 0.00 -0.87 0.00 0.00 66.00 65.50 1r7i h PRO 699 Cb 1.09 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 32.11 1r7i h PRO 699 CO -0.66 0.66 0.45 1.25 -0.23 0.00 0.00 178.00 179.47 1r7i h LEU 700 N 0.47 1.11 -0.96 1.56 5.85 -1.34 -2.03 115.31 119.97 1r7i h LEU 700 Ca 0.12 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 1r7i h LEU 700 Cb 0.33 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1r7i h LEU 700 CO 0.00 0.91 0.13 0.24 -0.34 0.00 0.00 178.44 179.38 1r7i h MET 701 N 1.23 0.89 -0.56 1.25 2.86 -0.88 -1.06 114.93 118.66 1r7i h MET 701 Ca 0.30 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1r7i h MET 701 Cb 0.07 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 1r7i h MET 701 CO -0.04 0.80 0.32 0.93 1.06 0.00 0.00 176.91 179.98 1r7i h GLU 702 N 0.85 0.76 -0.76 1.72 5.08 -0.68 -1.06 114.58 120.49 1r7i h GLU 702 Ca 0.18 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1r7i h GLU 702 Cb 0.32 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1r7i h GLU 702 CO 0.00 0.57 0.32 0.00 -1.00 0.00 0.00 179.01 178.90 1r7i h ALA 703 N 1.15 0.99 -0.11 3.43 0.00 -0.82 0.64 119.26 124.54 1r7i h ALA 703 Ca 0.20 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 1r7i h ALA 703 Cb 0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1r7i h ALA 703 CO -0.03 0.60 -0.67 0.82 0.00 0.00 0.00 179.25 179.97 1r7i h ILE 704 N 1.10 1.36 0.01 0.00 2.04 -0.85 -3.35 117.51 117.82 1r7i h ILE 704 Ca 0.26 -2.01 -0.35 0.00 1.00 0.00 0.00 64.86 63.75 1r7i h ILE 704 Cb 0.20 2.00 -0.06 0.00 -0.74 0.00 0.00 36.82 38.21 1r7i h ILE 704 CO -0.02 0.61 -2.15 0.35 0.00 0.00 0.00 178.15 176.94 1r7i n THR 705 N -3.88 1.51 -0.29 -0.27 -2.24 -0.43 -4.90 114.28 103.77 1r7i n THR 705 Ca -0.04 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 1r7i n THR 705 Cb 0.67 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 1r7i n THR 705 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r7i n GLY 706 N 1.77 0.96 0.00 3.38 0.00 0.22 -4.95 105.19 106.57 1r7i n GLY 706 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1r7i n GLY 706 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r7i n GLY 707 N -2.00 1.46 3.10 -0.02 0.00 -1.24 -4.89 105.19 101.60 1r7i n GLY 707 Ca 0.00 -2.02 -0.25 0.00 0.00 0.00 0.00 46.02 43.75 1r7i n GLY 707 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1r7i s GLN 708 N -0.10 1.58 0.19 1.61 -2.07 0.15 -4.62 119.66 116.40 1r7i s GLN 708 Ca 0.00 -0.53 -0.30 0.00 -1.82 0.00 0.00 55.36 52.70 1r7i s GLN 708 Cb 0.00 -1.39 -0.09 0.00 -1.09 0.00 0.00 33.01 30.44 1r7i s GLN 708 CO 0.00 0.21 1.38 0.08 -1.32 0.00 0.00 175.29 175.64 1r7i s VAL 709 N 0.08 3.05 0.00 3.63 1.01 -1.26 -1.31 120.40 125.61 1r7i s VAL 709 Ca -0.04 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1r7i s VAL 709 Cb -0.11 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1r7i s VAL 709 CO 0.02 0.11 0.00 -1.14 0.00 0.00 0.00 175.10 174.08 1r7i n ARG 710 N 3.01 0.00 -3.57 2.72 3.00 0.89 -4.93 116.66 117.77 1r7i n ARG 710 Ca 0.08 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.60 1r7i n ARG 710 Cb 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.82 1r7i n ARG 710 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1r7i s LEU 711 N -1.81 4.31 -0.33 6.15 1.43 -1.26 -4.94 118.68 122.24 1r7i s LEU 711 Ca 0.00 0.77 -0.01 0.00 -1.03 0.00 0.00 54.13 53.86 1r7i s LEU 711 Cb 0.00 -3.13 0.11 0.00 0.03 0.00 0.00 46.19 43.20 1r7i s LEU 711 CO 0.00 0.12 0.15 -0.13 0.23 0.00 0.00 176.35 176.71 1r7i s ARG 712 N -2.17 0.58 -0.05 1.70 3.00 -1.25 -1.43 118.95 119.33 1r7i s ARG 712 Ca 0.36 -1.06 -0.29 0.00 0.00 0.00 0.00 55.73 54.74 1r7i s ARG 712 Cb -0.13 -1.64 0.10 0.00 0.00 0.00 0.00 34.95 33.27 1r7i s ARG 712 CO 0.20 -1.06 0.82 -1.50 0.00 0.00 0.00 175.30 173.75 1r7i s ILE 713 N 1.52 0.00 0.70 1.52 2.07 -0.49 -4.89 121.20 121.63 1r7i s ILE 713 Ca 0.12 0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 59.20 1r7i s ILE 713 Cb -0.19 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.43 1r7i s ILE 713 CO -0.21 0.00 1.23 -0.22 -1.91 0.00 0.00 174.94 173.83 1r7i s LEU 714 N -1.60 3.40 -0.16 8.50 0.20 -1.26 -0.15 118.68 127.61 1r7i s LEU 714 Ca -0.03 2.42 -0.07 0.00 0.69 0.00 0.00 54.13 57.14 1r7i s LEU 714 Cb -0.00 -4.60 -0.04 0.00 -0.43 0.00 0.00 46.19 41.12 1r7i s LEU 714 CO 0.01 -2.17 0.08 -0.55 -0.29 0.00 0.00 176.35 173.44 1r7i s SER 715 N -1.85 5.85 0.00 3.68 0.15 -1.02 -4.75 113.70 115.77 1r7i s SER 715 Ca 0.77 0.19 0.30 0.00 0.70 0.00 0.00 55.95 57.91 1r7i s SER 715 Cb -0.31 -1.96 1.49 0.00 -1.71 0.00 0.00 66.02 63.53 1r7i s SER 715 CO 0.43 0.24 2.04 0.59 1.20 0.00 0.00 173.24 177.74 1r7i n ASN 716 N 3.08 0.00 -4.40 5.45 3.02 -1.26 -4.31 115.26 116.84 1r7i n ASN 716 Ca -0.17 -0.09 -0.43 0.00 -0.03 0.00 0.00 54.58 53.85 1r7i n ASN 716 Cb 0.53 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 1r7i n ASN 716 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1r7i n LEU 717 N -1.30 5.38 -2.69 3.41 7.94 -1.26 -3.80 117.00 124.67 1r7i n LEU 717 Ca 0.14 -4.34 -0.26 0.00 -1.11 0.00 0.00 56.01 50.43 1r7i n LEU 717 Cb 0.25 -1.64 -0.09 0.00 0.53 0.00 0.00 43.42 42.47 1r7i n LEU 717 CO 0.23 0.68 2.54 0.00 -1.11 0.00 0.00 177.39 179.73 1r7i n ALA 718 N 6.10 7.00 1.08 1.96 0.00 -1.26 -4.69 120.51 130.69 1r7i n ALA 718 Ca 0.41 -2.75 0.09 0.00 0.00 0.00 0.00 53.44 51.19 1r7i n ALA 718 Cb 0.43 -2.86 0.52 0.00 0.00 0.00 0.00 19.45 17.53 1r7i n ALA 718 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1r7i n ASP 719 N 3.00 0.00 -0.61 0.00 3.85 -1.26 -1.57 116.55 119.95 1r7i n ASP 719 Ca 0.62 -0.50 0.11 0.00 -0.71 0.00 0.00 54.79 54.31 1r7i n ASP 719 Cb 0.55 -0.03 0.02 0.00 -1.35 0.00 0.00 41.12 40.32 1r7i n ASP 719 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1r7i n LEU 720 N -1.03 2.27 -3.61 -2.12 4.77 -1.26 -4.57 117.00 111.45 1r7i n LEU 720 Ca 0.13 -0.82 -0.28 0.00 -0.03 0.00 0.00 56.01 55.01 1r7i n LEU 720 Cb 0.07 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.07 1r7i n LEU 720 CO 0.10 0.41 0.06 -1.14 -1.33 0.00 0.00 177.39 175.50 1r7i n ARG 721 N 0.31 2.33 -3.58 3.23 0.63 -0.61 -4.26 116.66 114.72 1r7i n ARG 721 Ca 0.10 -4.61 -0.33 0.00 -0.92 0.00 0.00 57.85 52.10 1r7i n ARG 721 Cb 0.50 -2.28 -0.05 0.00 0.45 0.00 0.00 32.46 31.08 1r7i n ARG 721 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1r7i s LEU 722 N -2.13 4.27 0.05 6.15 1.43 -1.26 -1.25 118.68 125.95 1r7i s LEU 722 Ca 0.34 0.73 0.09 0.00 -1.03 0.00 0.00 54.13 54.27 1r7i s LEU 722 Cb 0.08 -3.30 -0.03 0.00 0.03 0.00 0.00 46.19 42.97 1r7i s LEU 722 CO -0.07 0.06 -0.24 0.00 0.23 0.00 0.00 176.35 176.33 1r7i s ALA 723 N -1.62 2.08 0.01 4.21 0.00 -0.10 -1.38 121.76 124.96 1r7i s ALA 723 Ca 0.40 -1.21 0.04 0.00 0.00 0.00 0.00 51.96 51.19 1r7i s ALA 723 Cb -0.12 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 1r7i s ALA 723 CO 0.22 0.48 -0.11 1.03 0.00 0.00 0.00 175.76 177.38 1r7i s ARG 724 N -1.29 0.82 -0.02 0.00 0.52 0.15 -2.26 118.95 116.86 1r7i s ARG 724 Ca 0.10 -0.52 -0.05 0.00 -0.52 0.00 0.00 55.73 54.75 1r7i s ARG 724 Cb -0.10 -0.78 0.00 0.00 0.52 0.00 0.00 34.95 34.59 1r7i s ARG 724 CO 0.02 0.20 0.10 0.00 0.02 0.00 0.00 175.30 175.65 1r7i s ALA 725 N -0.53 -0.25 0.06 2.13 0.00 -0.59 -1.58 121.76 120.99 1r7i s ALA 725 Ca 0.02 0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.04 1r7i s ALA 725 Cb -0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 1r7i s ALA 725 CO 0.00 -0.13 -0.13 -0.65 0.00 0.00 0.00 175.76 174.85 1r7i s GLN 726 N -0.72 0.80 0.09 0.00 -0.21 0.02 -1.94 119.66 117.69 1r7i s GLN 726 Ca -0.08 -0.86 -0.02 0.00 0.02 0.00 0.00 55.36 54.42 1r7i s GLN 726 Cb -0.05 -0.78 -0.04 0.00 1.00 0.00 0.00 33.01 33.15 1r7i s GLN 726 CO 0.01 0.18 0.03 0.14 -2.12 0.00 0.00 175.29 173.52 1r7i s VAL 727 N -1.15 0.17 -0.09 1.09 -7.23 -0.99 -2.26 120.40 109.94 1r7i s VAL 727 Ca -0.02 -1.79 -0.05 0.00 -1.81 0.00 0.00 61.98 58.31 1r7i s VAL 727 Cb -0.09 -1.71 0.04 0.00 0.56 0.00 0.00 36.38 35.18 1r7i s VAL 727 CO 0.02 -0.76 0.20 -0.60 -0.31 0.00 0.00 175.10 173.65 1r7i s ARG 728 N -3.96 0.18 -0.02 4.82 3.52 -1.26 -2.05 118.95 120.18 1r7i s ARG 728 Ca 0.13 0.42 0.04 0.00 -0.13 0.00 0.00 55.73 56.18 1r7i s ARG 728 Cb 0.07 -0.08 -0.01 0.00 -1.56 0.00 0.00 34.95 33.38 1r7i s ARG 728 CO -0.06 -0.13 -0.12 0.42 -0.81 0.00 0.00 175.30 174.61 1r7i s ILE 729 N 0.93 0.99 0.17 4.11 -1.09 0.55 -4.69 121.20 122.16 1r7i s ILE 729 Ca -0.07 -0.51 0.00 0.00 -2.23 0.00 0.00 60.65 57.84 1r7i s ILE 729 Cb -0.08 -0.84 -0.04 0.00 -1.58 0.00 0.00 42.46 39.92 1r7i s ILE 729 CO -0.05 0.29 0.33 0.42 -1.23 0.00 0.00 174.94 174.70 1r7i s THR 730 N -0.14 5.26 0.36 2.92 -4.23 -1.26 -0.23 115.64 118.33 1r7i s THR 730 Ca 0.02 -0.46 0.13 0.00 -1.18 0.00 0.00 61.69 60.19 1r7i s THR 730 Cb -0.06 -3.72 0.35 0.00 1.34 0.00 0.00 72.50 70.40 1r7i s THR 730 CO 0.00 -0.10 1.81 -0.65 -0.54 0.00 0.00 174.62 175.13 1r7i h PRO 731 N 2.20 0.55 -0.29 3.99 0.11 -1.84 -0.59 132.00 136.13 1r7i h PRO 731 Ca -0.48 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.63 1r7i h PRO 731 Cb 1.19 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1r7i h PRO 731 CO 0.69 0.36 0.09 0.37 -0.21 0.00 0.00 178.00 179.31 1r7i h GLN 732 N 0.57 0.21 0.00 1.05 5.75 -1.95 -2.32 115.11 118.42 1r7i h GLN 732 Ca 0.54 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 59.01 1r7i h GLN 732 Cb 1.10 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.60 1r7i h GLN 732 CO -0.29 0.14 -0.07 1.96 -2.65 0.00 0.00 178.83 177.92 1r7i h GLN 733 N 0.21 0.00 -0.63 1.69 4.20 -1.50 -2.93 115.11 116.14 1r7i h GLN 733 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1r7i h GLN 733 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1r7i h GLN 733 CO -0.15 0.07 0.00 1.28 -0.67 0.00 0.00 178.83 179.37 1r7i n LEU 734 N -4.11 4.01 -4.67 1.46 4.77 -0.88 -4.93 117.00 112.65 1r7i n LEU 734 Ca -0.03 -2.02 -0.43 0.00 -0.03 0.00 0.00 56.01 53.50 1r7i n LEU 734 Cb 0.16 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 40.70 1r7i n LEU 734 CO 0.32 0.67 0.98 -1.61 -1.33 0.00 0.00 177.39 176.42 1r7i s GLU 735 N -1.82 4.30 0.49 3.23 0.41 -1.11 -4.15 118.70 120.05 1r7i s GLU 735 Ca 0.42 1.58 0.04 0.00 -0.41 0.00 0.00 54.97 56.60 1r7i s GLU 735 Cb 0.27 -3.65 -0.01 0.00 -1.78 0.00 0.00 34.13 28.96 1r7i s GLU 735 CO 0.20 -0.57 0.16 0.95 -0.49 0.00 0.00 175.26 175.51 1r7i s THR 736 N 2.88 1.63 0.18 3.63 -4.23 -1.04 -4.92 115.64 113.76 1r7i s THR 736 Ca 0.52 -1.79 -0.19 0.00 -1.18 0.00 0.00 61.69 59.06 1r7i s THR 736 Cb -0.21 -2.42 0.13 0.00 1.34 0.00 0.00 72.50 71.34 1r7i s THR 736 CO 0.16 0.00 1.61 0.00 -0.54 0.00 0.00 174.62 175.85 1r7i h ALA 737 N 1.23 0.08 0.00 3.99 0.00 -1.98 -3.16 119.26 119.43 1r7i h ALA 737 Ca -0.42 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1r7i h ALA 737 Cb 1.29 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1r7i h ALA 737 CO 0.69 -0.59 -1.52 -0.85 0.00 0.00 0.00 179.25 176.98 1r7i n GLU 738 N -5.42 0.44 -4.29 0.00 0.28 -1.26 -4.99 120.64 105.39 1r7i n GLU 738 Ca 0.04 -0.09 -0.27 0.00 -0.16 0.00 0.00 57.16 56.67 1r7i n GLU 738 Cb 0.33 -1.55 -0.10 0.00 1.43 0.00 0.00 31.44 31.55 1r7i n GLU 738 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1r7i s PHE 739 N -3.33 2.62 0.23 -1.84 2.99 -1.20 -5.11 117.98 112.34 1r7i s PHE 739 Ca -0.02 -0.23 -0.21 0.00 0.00 0.00 0.00 56.93 56.48 1r7i s PHE 739 Cb 0.14 -1.29 -0.08 0.00 0.00 0.00 0.00 43.02 41.79 1r7i s PHE 739 CO 0.87 0.50 0.76 -1.54 -0.00 0.00 0.00 175.22 175.81 1r7i s SER 740 N -2.74 7.11 0.54 1.36 1.04 -1.26 -2.50 113.70 117.24 1r7i s SER 740 Ca 0.24 1.49 0.28 0.00 0.48 0.00 0.00 55.95 58.44 1r7i s SER 740 Cb -0.09 -2.45 1.44 0.00 0.10 0.00 0.00 66.02 65.02 1r7i s SER 740 CO 0.14 0.02 1.95 1.23 0.98 0.00 0.00 173.24 177.57 1r7i h GLY 741 N 3.42 0.00 0.52 7.32 0.00 -1.72 -0.88 103.07 111.73 1r7i h GLY 741 Ca -0.48 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1r7i h GLY 741 CO 0.65 0.00 -0.00 0.83 0.00 0.00 0.00 176.54 178.02 1r7i h GLU 742 N 0.00 -0.01 -0.94 4.80 3.07 -1.89 -2.12 114.58 117.48 1r7i h GLU 742 Ca 0.32 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 59.27 1r7i h GLU 742 Cb 1.31 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 29.15 1r7i h GLU 742 CO -0.00 0.46 0.59 0.00 -1.40 0.00 0.00 179.01 178.65 1r7i h ALA 743 N 0.49 1.36 -0.64 3.43 0.00 -1.59 0.15 119.26 122.47 1r7i h ALA 743 Ca -0.00 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1r7i h ALA 743 Cb 0.48 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1r7i h ALA 743 CO 0.00 0.26 0.13 0.28 0.00 0.00 0.00 179.25 179.93 1r7i h VAL 744 N 1.00 1.26 -0.39 0.00 2.07 -1.27 0.25 116.25 119.16 1r7i h VAL 744 Ca 0.44 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1r7i h VAL 744 Cb 0.33 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1r7i h VAL 744 CO -0.22 0.37 0.16 0.40 0.02 0.00 0.00 177.57 178.30 1r7i h ILE 745 N 0.97 1.19 -0.84 4.57 2.04 -0.30 -1.28 117.51 123.86 1r7i h ILE 745 Ca 0.20 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1r7i h ILE 745 Cb 0.40 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 1r7i h ILE 745 CO 0.01 0.21 0.52 -0.33 0.00 0.00 0.00 178.15 178.55 1r7i h GLU 746 N 0.49 1.14 -0.45 2.37 4.39 -0.14 -1.85 114.58 120.52 1r7i h GLU 746 Ca 0.13 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 1r7i h GLU 746 Cb 0.18 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1r7i h GLU 746 CO -0.01 0.79 0.03 0.78 -1.16 0.00 0.00 179.01 179.44 1r7i h GLY 747 N 1.17 0.84 1.05 -3.84 0.00 -0.11 -1.35 103.07 100.83 1r7i h GLY 747 Ca 0.30 -0.60 0.05 0.00 0.00 0.00 0.00 47.33 47.09 1r7i h GLY 747 CO -0.06 0.55 0.51 -2.22 0.00 0.00 0.00 176.54 175.32 1r7i h ILE 748 N 0.63 1.08 -0.45 2.60 2.04 -0.91 0.20 117.51 122.70 1r7i h ILE 748 Ca 0.13 -0.31 -0.08 0.00 1.00 0.00 0.00 64.86 65.61 1r7i h ILE 748 Cb 0.45 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1r7i h ILE 748 CO 0.02 0.16 -0.03 -0.07 0.00 0.00 0.00 178.15 178.23 1r7i h LEU 749 N 0.90 0.73 -0.85 1.44 3.38 -0.85 0.12 115.31 120.17 1r7i h LEU 749 Ca 0.32 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 1r7i h LEU 749 Cb 0.14 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1r7i h LEU 749 CO -0.10 0.82 -0.50 0.44 0.09 0.00 0.00 178.44 179.18 1r7i h ASP 750 N 0.70 0.19 -0.25 -0.43 3.32 0.10 -1.59 116.42 118.47 1r7i h ASP 750 Ca 0.13 -0.09 -0.17 0.00 0.02 0.00 0.00 57.03 56.92 1r7i h ASP 750 Cb 0.48 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1r7i h ASP 750 CO 0.02 0.66 -0.50 0.00 -1.72 0.00 0.00 179.24 177.71 1r7i h ALA 751 N 1.34 0.39 -0.30 3.45 0.00 -0.07 -2.17 119.26 121.91 1r7i h ALA 751 Ca 0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 1r7i h ALA 751 Cb 0.94 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1r7i h ALA 751 CO 0.07 0.57 -0.02 -0.92 0.00 0.00 0.00 179.25 178.96 1r7i h TYR 752 N 0.52 0.59 -0.62 0.00 3.20 -0.67 -2.47 116.97 117.52 1r7i h TYR 752 Ca 0.01 -0.11 0.07 0.00 3.14 0.00 0.00 58.73 61.84 1r7i h TYR 752 Cb 1.10 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 39.16 1r7i h TYR 752 CO 0.08 0.69 0.31 0.00 -1.64 0.00 0.00 178.16 177.59 1r7i h ALA 753 N 0.82 0.82 -0.86 1.82 0.00 -1.28 0.35 119.26 120.93 1r7i h ALA 753 Ca 0.08 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1r7i h ALA 753 Cb 0.46 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1r7i h ALA 753 CO 0.02 -0.06 0.54 0.35 0.00 0.00 0.00 179.25 180.09 1r7i h PHE 754 N 0.56 1.00 -0.05 0.00 3.57 -1.24 -1.84 116.94 118.93 1r7i h PHE 754 Ca 0.29 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.67 1r7i h PHE 754 Cb 0.25 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 1r7i h PHE 754 CO -0.11 0.51 -0.62 0.00 -2.23 0.00 0.00 178.31 175.87 1r7i h ALA 755 N 1.40 0.87 0.00 2.41 0.00 -0.79 -0.72 119.26 122.42 1r7i h ALA 755 Ca 0.37 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1r7i h ALA 755 Cb 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1r7i h ALA 755 CO -0.17 0.75 -0.22 0.00 0.00 0.00 0.00 179.25 179.61 1r7i h ALA 756 N 1.23 1.16 0.00 0.00 0.00 -0.17 -3.32 119.26 118.16 1r7i h ALA 756 Ca -0.01 -0.20 -0.35 0.00 0.00 0.00 0.00 54.91 54.36 1r7i h ALA 756 Cb 1.12 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 1r7i h ALA 756 CO 0.09 0.28 -2.31 0.28 0.00 0.00 0.00 179.25 177.59 1r7i n VAL 757 N -3.59 1.31 -3.64 0.00 0.31 -0.88 -4.78 118.33 107.06 1r7i n VAL 757 Ca -0.01 -0.62 -0.40 0.00 -0.01 0.00 0.00 64.34 63.30 1r7i n VAL 757 Cb 0.36 -1.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.18 1r7i n VAL 757 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1r7i s ASP 758 N -5.86 5.59 0.59 4.52 2.15 -0.29 -4.97 116.67 118.40 1r7i s ASP 758 Ca -0.22 -0.97 0.29 0.00 0.43 0.00 0.00 52.55 52.07 1r7i s ASP 758 Cb 0.07 -1.98 1.62 0.00 -0.30 0.00 0.00 42.92 42.33 1r7i s ASP 758 CO 0.63 -0.35 2.06 -0.65 -0.17 0.00 0.00 175.17 176.70 1r7i h PRO 759 N 8.37 0.00 0.00 4.34 0.11 -1.82 0.12 132.00 143.12 1r7i h PRO 759 Ca -0.26 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.74 1r7i h PRO 759 Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1r7i h PRO 759 CO 0.65 0.00 -0.52 1.88 -0.21 0.00 0.00 178.00 179.80 1r7i h TYR 760 N 0.00 0.00 0.16 0.65 -1.99 -1.93 -1.72 116.97 112.15 1r7i h TYR 760 Ca 0.11 0.00 -0.34 0.00 2.00 0.00 0.00 58.73 60.50 1r7i h TYR 760 Cb 0.61 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.34 1r7i h TYR 760 CO 0.00 0.52 -1.70 -0.09 -0.00 0.00 0.00 178.16 176.88 1r7i h ARG 761 N 0.00 0.35 -0.39 4.88 9.65 -1.21 -3.33 114.38 124.32 1r7i h ARG 761 Ca -0.01 -0.59 0.04 0.00 -1.10 0.00 0.00 59.98 58.33 1r7i h ARG 761 Cb 0.95 0.22 -0.04 0.00 -1.39 0.00 0.00 29.97 29.71 1r7i h ARG 761 CO 0.07 1.28 0.16 0.00 2.80 0.00 0.00 179.97 184.28 1r7i h ALA 762 N 0.07 0.47 -0.65 2.80 0.00 -0.78 0.58 119.26 121.74 1r7i h ALA 762 Ca -0.35 0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.67 1r7i h ALA 762 Cb 2.01 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.74 1r7i h ALA 762 CO 0.14 -0.23 0.34 0.00 0.00 0.00 0.00 179.25 179.50 1r7i h ALA 763 N 1.24 0.87 -0.18 0.00 0.00 -1.48 0.49 119.26 120.20 1r7i h ALA 763 Ca 0.18 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1r7i h ALA 763 Cb 0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1r7i h ALA 763 CO -0.17 -0.02 -0.13 1.15 0.00 0.00 0.00 179.25 180.09 1r7i h THR 764 N 0.61 1.32 -0.37 0.00 2.02 -1.50 -1.28 112.91 113.72 1r7i h THR 764 Ca 0.30 -1.24 0.05 0.00 0.77 0.00 0.00 66.41 66.29 1r7i h THR 764 Cb 0.24 1.75 -0.04 0.00 -1.74 0.00 0.00 68.15 68.36 1r7i h THR 764 CO -0.21 0.37 0.11 -0.74 0.37 0.00 0.00 175.52 175.42 1r7i h HIS 765 N 0.07 0.20 -0.12 3.16 2.76 0.11 -2.27 115.15 119.06 1r7i h HIS 765 Ca 0.03 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.10 1r7i h HIS 765 Cb 0.64 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 1r7i h HIS 765 CO 0.07 0.07 -0.47 -0.91 -1.30 0.00 0.00 177.93 175.39 1r7i h ASN 766 N 0.25 0.31 -0.55 3.26 -0.26 -0.06 -2.90 115.58 115.63 1r7i h ASN 766 Ca 0.17 -0.14 0.07 0.00 -0.56 0.00 0.00 56.30 55.83 1r7i h ASN 766 Cb 0.16 -0.09 -0.06 0.00 -1.06 0.00 0.00 38.32 37.28 1r7i h ASN 766 CO -0.19 0.74 0.25 0.50 -1.06 0.00 0.00 177.43 177.66 1r7i h LYS 767 N 0.23 0.45 -0.91 0.81 3.11 -0.68 -0.51 116.57 119.07 1r7i h LYS 767 Ca 0.01 -0.03 0.06 0.00 -2.81 0.00 0.00 60.65 57.88 1r7i h LYS 767 Cb 0.92 -0.10 -0.06 0.00 -1.00 0.00 0.00 32.23 31.99 1r7i h LYS 767 CO 0.08 0.30 0.60 0.78 -2.81 0.00 0.00 179.45 178.39 1r7i h GLY 768 N 0.46 1.33 0.99 5.01 0.00 -1.24 0.94 103.07 110.56 1r7i h GLY 768 Ca 0.26 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1r7i h GLY 768 CO -0.22 0.33 0.25 -2.22 0.00 0.00 0.00 176.54 174.69 1r7i h ILE 769 N 1.08 1.21 0.00 2.60 2.04 -1.05 -2.12 117.51 121.27 1r7i h ILE 769 Ca 0.38 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1r7i h ILE 769 Cb 0.14 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1r7i h ILE 769 CO -0.14 0.25 -0.00 0.24 0.00 0.00 0.00 178.15 178.50 1r7i h MET 770 N 0.77 0.00 0.00 2.37 2.86 0.24 -2.08 114.93 119.08 1r7i h MET 770 Ca 0.19 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.80 1r7i h MET 770 Cb 0.15 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 1r7i h MET 770 CO -0.02 0.00 -0.15 -0.91 1.06 0.00 0.00 176.91 176.89 1r7i h ASN 771 N 0.00 0.00 0.21 1.22 2.35 -0.17 -0.88 115.58 118.31 1r7i h ASN 771 Ca -0.00 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.40 1r7i h ASN 771 Cb 0.57 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1r7i h ASN 771 CO 0.00 0.15 -1.87 1.23 -1.65 0.00 0.00 177.43 175.28 1r7i h GLY 772 N 0.78 0.30 0.14 2.83 0.00 -1.35 -3.40 103.07 102.37 1r7i h GLY 772 Ca -0.00 -0.77 -0.00 0.00 0.00 0.00 0.00 47.33 46.56 1r7i h GLY 772 CO 0.02 0.68 -0.01 -2.22 0.00 0.00 0.00 176.54 175.00 1r7i h ILE 773 N 0.07 1.38 -0.94 2.60 2.04 -1.22 -3.38 117.51 118.07 1r7i h ILE 773 Ca -0.38 -1.82 0.18 0.00 1.00 0.00 0.00 64.86 63.84 1r7i h ILE 773 Cb 2.05 2.51 -0.10 0.00 -0.74 0.00 0.00 36.82 40.53 1r7i h ILE 773 CO 0.11 0.43 0.52 0.44 0.00 0.00 0.00 178.15 179.66 1r7i h ASP 774 N -0.90 0.64 0.06 1.72 5.19 -1.41 -1.55 116.42 120.17 1r7i h ASP 774 Ca -0.00 0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 56.48 1r7i h ASP 774 Cb 0.73 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.23 1r7i h ASP 774 CO 0.01 0.23 -0.09 -0.65 -3.12 0.00 0.00 179.24 175.61 1r7i h PRO 775 N 0.67 0.09 0.01 3.56 0.11 -1.75 -0.97 132.00 133.73 1r7i h PRO 775 Ca 0.54 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 66.44 1r7i h PRO 775 Cb 0.83 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 1r7i h PRO 775 CO -0.39 0.19 -0.88 1.25 -0.21 0.00 0.00 178.00 177.96 1r7i h LEU 776 N 0.09 0.15 -0.12 2.35 5.85 -1.46 -1.22 115.31 120.95 1r7i h LEU 776 Ca 0.02 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1r7i h LEU 776 Cb 0.23 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1r7i h LEU 776 CO 0.01 0.96 0.01 0.40 -0.34 0.00 0.00 178.44 179.47 1r7i h ILE 777 N 0.06 1.24 -0.44 4.05 1.08 -0.98 -2.43 117.51 120.09 1r7i h ILE 777 Ca -0.03 -0.79 -0.02 0.00 -0.39 0.00 0.00 64.86 63.63 1r7i h ILE 777 Cb 1.52 1.52 -0.02 0.00 -3.07 0.00 0.00 36.82 36.78 1r7i h ILE 777 CO 0.13 0.23 0.21 0.58 -0.69 0.00 0.00 178.15 178.61 1r7i h VAL 778 N -0.04 1.18 -0.50 1.67 2.07 -1.26 -0.04 116.25 119.33 1r7i h VAL 778 Ca 0.04 -0.52 0.12 0.00 0.82 0.00 0.00 66.70 67.16 1r7i h VAL 778 Cb 0.35 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1r7i h VAL 778 CO 0.01 0.20 0.35 0.00 0.02 0.00 0.00 177.57 178.15 1r7i h ALA 779 N 1.06 2.28 -0.52 1.67 0.00 -1.31 -0.18 119.26 122.25 1r7i h ALA 779 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1r7i h ALA 779 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1r7i h ALA 779 CO -0.02 -0.41 0.00 0.25 0.00 0.00 0.00 179.25 179.07 1r7i n THR 780 N -4.43 2.60 -1.55 0.00 -2.24 -0.92 -4.01 114.28 103.73 1r7i n THR 780 Ca 0.09 -1.49 -0.19 0.00 -2.27 0.00 0.00 64.05 60.19 1r7i n THR 780 Cb 0.48 -0.24 -0.08 0.00 -2.10 0.00 0.00 70.33 68.39 1r7i n THR 780 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r7i n GLY 781 N 0.43 1.77 3.93 3.38 0.00 -0.08 -4.38 105.19 110.24 1r7i n GLY 781 Ca 0.26 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1r7i n GLY 781 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1r7i s ASN 782 N -2.79 5.58 -0.56 1.61 0.01 -0.07 -3.52 114.94 115.20 1r7i s ASN 782 Ca 0.00 0.57 -0.28 0.00 -0.71 0.00 0.00 52.86 52.44 1r7i s ASN 782 Cb 0.00 -1.60 0.02 0.00 0.41 0.00 0.00 41.25 40.09 1r7i s ASN 782 CO 0.00 -1.02 1.32 -0.62 -1.51 0.00 0.00 177.10 175.27 1r7i s ASP 783 N -4.30 6.28 0.46 -1.22 -1.08 -1.26 -4.41 116.67 111.14 1r7i s ASP 783 Ca 0.53 0.24 0.26 0.00 -0.52 0.00 0.00 52.55 53.06 1r7i s ASP 783 Cb -0.10 -2.55 0.69 0.00 -1.46 0.00 0.00 42.92 39.50 1r7i s ASP 783 CO 0.43 -1.59 1.73 4.11 0.52 0.00 0.00 175.17 180.37 1r7i h TRP 784 N 10.37 0.00 -0.27 -5.34 0.09 -1.93 -3.04 115.95 115.83 1r7i h TRP 784 Ca -0.26 0.00 -0.13 0.00 0.09 0.00 0.00 58.89 58.59 1r7i h TRP 784 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.31 1r7i h TRP 784 CO 1.03 0.05 -0.38 0.00 0.09 0.00 0.00 178.44 179.23 1r7i h ARG 785 N 0.00 0.62 -0.33 0.12 -0.00 -1.99 -1.67 114.38 111.12 1r7i h ARG 785 Ca -0.00 -0.31 -0.02 0.00 -0.50 0.00 0.00 59.98 59.15 1r7i h ARG 785 Cb 0.85 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.81 1r7i h ARG 785 CO 0.01 0.90 0.13 0.00 0.00 0.00 0.00 179.97 181.00 1r7i h ALA 786 N 1.07 0.43 -0.49 0.04 0.00 -1.94 -0.74 119.26 117.64 1r7i h ALA 786 Ca 0.05 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1r7i h ALA 786 Cb 0.89 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1r7i h ALA 786 CO 0.08 0.04 -0.09 0.28 0.00 0.00 0.00 179.25 179.55 1r7i h VAL 787 N 0.39 1.26 -0.09 0.00 2.07 -1.51 -2.28 116.25 116.10 1r7i h VAL 787 Ca 0.11 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 1r7i h VAL 787 Cb 0.19 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1r7i h VAL 787 CO -0.01 0.41 0.01 -0.33 0.02 0.00 0.00 177.57 177.68 1r7i h GLU 788 N 0.79 0.15 -0.38 1.57 4.39 -1.17 -1.14 114.58 118.79 1r7i h GLU 788 Ca 0.13 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 1r7i h GLU 788 Cb 0.61 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 1r7i h GLU 788 CO 0.04 0.38 0.20 0.00 -1.16 0.00 0.00 179.01 178.47 1r7i h ALA 789 N 0.76 0.49 -0.42 3.43 0.00 -1.12 -1.31 119.26 121.10 1r7i h ALA 789 Ca 0.03 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1r7i h ALA 789 Cb 0.31 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1r7i h ALA 789 CO 0.00 0.03 -0.04 0.78 0.00 0.00 0.00 179.25 180.02 1r7i h GLY 790 N 0.49 0.75 0.74 0.00 0.00 -1.42 -1.29 103.07 102.34 1r7i h GLY 790 Ca 0.13 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1r7i h GLY 790 CO -0.02 0.47 -0.04 0.00 0.00 0.00 0.00 176.54 176.95 1r7i h ALA 791 N 1.31 -0.10 -0.13 3.60 0.00 -0.83 -2.31 119.26 120.80 1r7i h ALA 791 Ca 0.13 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1r7i h ALA 791 Cb 0.46 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1r7i h ALA 791 CO 0.02 -0.42 -0.71 0.45 0.00 0.00 0.00 179.25 178.58 1r7i h HIS 792 N -0.37 0.79 -0.82 0.00 3.86 -1.22 -2.30 115.15 115.10 1r7i h HIS 792 Ca -0.01 -0.34 -0.04 0.00 -1.16 0.00 0.00 60.37 58.82 1r7i h HIS 792 Cb 0.32 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.62 1r7i h HIS 792 CO 0.01 1.12 0.35 0.00 0.86 0.00 0.00 177.93 180.28 1r7i h ALA 793 N 0.79 1.06 -0.12 2.45 0.00 -1.30 -2.18 119.26 119.95 1r7i h ALA 793 Ca -0.03 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1r7i h ALA 793 Cb 1.31 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1r7i h ALA 793 CO 0.14 0.66 -0.24 -0.92 0.00 0.00 0.00 179.25 178.89 1r7i h TYR 794 N 1.18 0.24 0.00 0.00 3.20 -1.34 -2.88 116.97 117.37 1r7i h TYR 794 Ca 0.28 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 1r7i h TYR 794 Cb 0.18 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.39 1r7i h TYR 794 CO 0.02 0.45 -0.03 0.00 -1.64 0.00 0.00 178.16 176.96 1r7i h ALA 795 N 1.56 1.03 -0.40 1.82 0.00 -0.80 -2.68 119.26 119.79 1r7i h ALA 795 Ca 0.03 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.66 1r7i h ALA 795 Cb 0.54 -0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.15 1r7i h ALA 795 CO 0.04 0.03 -0.37 0.00 0.00 0.00 0.00 179.25 178.95 1r7i h ARG 797 N 1.41 0.00 -0.99 0.00 0.11 -1.49 -2.73 114.38 110.69 1r7i h ARG 797 Ca 0.22 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.27 1r7i h ARG 797 Cb 1.36 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.43 1r7i h ARG 797 CO 0.45 0.34 0.04 -1.13 0.10 0.00 0.00 179.97 179.77 1r7i n SER 798 N -3.39 2.72 0.00 0.08 3.41 -1.26 -4.78 113.62 110.40 1r7i n SER 798 Ca 0.01 -2.10 0.00 0.00 -0.26 0.00 0.00 58.87 56.52 1r7i n SER 798 Cb 0.53 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1r7i n SER 798 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r7i n GLY 799 N 0.32 0.04 2.78 5.00 0.00 -1.03 -4.87 105.19 107.43 1r7i n GLY 799 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 1r7i n GLY 799 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1r7i s HIS 800 N -1.09 0.62 -0.34 1.61 5.65 -1.26 -5.10 115.29 115.39 1r7i s HIS 800 Ca 0.00 -0.14 -0.28 0.00 0.25 0.00 0.00 55.06 54.89 1r7i s HIS 800 Cb 0.00 -0.75 -0.03 0.00 -1.18 0.00 0.00 32.58 30.61 1r7i s HIS 800 CO 0.00 -0.30 1.97 -0.47 -0.65 0.00 0.00 174.74 175.29 1r7i s TYR 801 N 1.86 1.56 0.00 3.88 5.04 -1.26 -4.36 117.35 124.07 1r7i s TYR 801 Ca 0.03 0.69 0.00 0.00 -2.44 0.00 0.00 57.07 55.35 1r7i s TYR 801 Cb -0.12 -4.03 0.00 0.00 0.35 0.00 0.00 41.96 38.16 1r7i s TYR 801 CO -0.05 -3.17 0.00 0.41 -1.34 0.00 0.00 175.55 171.40 1r7i n GLY 802 N 5.58 6.00 3.73 8.97 0.00 -0.20 -4.34 105.19 124.93 1r7i n GLY 802 Ca 0.26 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 1r7i n GLY 802 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r7i s SER 803 N 0.25 7.44 0.26 1.61 0.15 -1.26 -4.78 113.70 117.37 1r7i s SER 803 Ca 0.00 1.73 0.12 0.00 0.70 0.00 0.00 55.95 58.50 1r7i s SER 803 Cb 0.00 -2.57 0.24 0.00 -1.71 0.00 0.00 66.02 61.98 1r7i s SER 803 CO 0.00 -0.09 1.53 -0.07 1.20 0.00 0.00 173.24 175.81 1r7i h LEU 804 N 5.78 0.00-10.43 3.45 3.38 -1.93 -3.45 115.31 112.11 1r7i h LEU 804 Ca -0.43 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.11 1r7i h LEU 804 Cb 1.21 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.99 1r7i h LEU 804 CO 0.72 0.64 -0.21 0.42 0.09 0.00 0.00 178.44 180.10 1r7i s THR 805 N -3.28 3.18 0.04 0.22 -4.23 -1.26 -4.06 115.64 106.24 1r7i s THR 805 Ca 0.00 -0.89 0.02 0.00 -1.18 0.00 0.00 61.69 59.64 1r7i s THR 805 Cb 0.11 -3.10 -0.02 0.00 1.34 0.00 0.00 72.50 70.82 1r7i s THR 805 CO 0.76 -0.05 -0.08 0.42 -0.54 0.00 0.00 174.62 175.13 1r7i s THR 806 N -2.42 0.55 -0.02 3.99 -4.23 -0.62 -4.95 115.64 107.93 1r7i s THR 806 Ca 0.53 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 60.10 1r7i s THR 806 Cb -0.10 -0.59 0.02 0.00 1.34 0.00 0.00 72.50 73.18 1r7i s THR 806 CO 0.34 -0.29 0.00 0.26 -0.54 0.00 0.00 174.62 174.39 1r7i s TRP 807 N -1.17 0.25 0.15 3.99 0.52 -1.26 -0.64 118.94 120.78 1r7i s TRP 807 Ca -0.08 0.01 -0.05 0.00 0.02 0.00 0.00 56.10 56.00 1r7i s TRP 807 Cb -0.09 -0.34 -0.02 0.00 -1.15 0.00 0.00 33.47 31.87 1r7i s TRP 807 CO 0.00 -0.10 0.19 -1.21 0.02 0.00 0.00 176.95 175.85 1r7i s GLU 808 N 0.85 1.07 -0.23 4.98 2.02 -0.34 -4.94 118.70 122.11 1r7i s GLU 808 Ca -0.08 -1.30 -0.07 0.00 0.02 0.00 0.00 54.97 53.54 1r7i s GLU 808 Cb -0.12 0.32 -0.03 0.00 0.10 0.00 0.00 34.13 34.41 1r7i s GLU 808 CO -0.02 -0.36 0.04 0.21 0.02 0.00 0.00 175.26 175.16 1r7i s LYS 809 N -4.01 3.63 0.76 1.61 2.20 -1.26 -1.01 119.74 121.66 1r7i s LYS 809 Ca 0.21 -0.49 -0.12 0.00 -0.36 0.00 0.00 55.97 55.20 1r7i s LYS 809 Cb 0.05 -3.24 0.17 0.00 -1.51 0.00 0.00 37.83 33.30 1r7i s LYS 809 CO 0.01 -0.13 1.03 -0.40 -0.36 0.00 0.00 175.35 175.50 1r7i n ASP 810 N 4.73 0.15 0.27 1.43 5.75 -0.07 -4.84 116.55 123.97 1r7i n ASP 810 Ca -0.17 -1.42 0.18 0.00 -0.01 0.00 0.00 54.79 53.37 1r7i n ASP 810 Cb 0.51 -0.78 0.96 0.00 -1.03 0.00 0.00 41.12 40.78 1r7i n ASP 810 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 1r7i h ASN 811 N -1.32 0.00 0.05 -1.12 2.35 -1.99 0.85 115.58 114.40 1r7i h ASN 811 Ca -0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1r7i h ASN 811 Cb 0.94 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.31 1r7i h ASN 811 CO 0.24 0.00 -0.18 0.59 -1.65 0.00 0.00 177.43 176.43 1r7i n ASN 812 N -2.74 1.86 0.00 5.81 4.13 -1.26 -4.92 115.26 118.14 1r7i n ASN 812 Ca -0.02 -1.46 0.00 0.00 1.68 0.00 0.00 54.58 54.78 1r7i n ASN 812 Cb 0.06 0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.45 1r7i n ASN 812 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1r7i n GLY 813 N 1.32 0.83 3.79 7.41 0.00 0.29 -5.03 105.19 113.80 1r7i n GLY 813 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1r7i n GLY 813 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1r7i s HIS 814 N -3.32 3.14 -0.18 1.61 3.76 -1.26 -4.70 115.29 114.34 1r7i s HIS 814 Ca 0.00 1.61 -0.26 0.00 -0.15 0.00 0.00 55.06 56.26 1r7i s HIS 814 Cb 0.00 -3.09 -0.01 0.00 1.11 0.00 0.00 32.58 30.59 1r7i s HIS 814 CO 0.00 -0.70 0.87 -1.17 -0.85 0.00 0.00 174.74 172.89 1r7i s LEU 815 N -3.06 4.16 -0.08 0.89 2.96 0.68 -0.89 118.68 123.34 1r7i s LEU 815 Ca 0.62 1.21 0.02 0.00 -0.22 0.00 0.00 54.13 55.77 1r7i s LEU 815 Cb -0.19 -3.29 0.01 0.00 0.50 0.00 0.00 46.19 43.22 1r7i s LEU 815 CO 0.23 -0.45 -0.13 0.68 -1.32 0.00 0.00 176.35 175.36 1r7i s VAL 816 N 2.36 1.26 0.15 1.68 -7.23 -0.18 -0.33 120.40 118.11 1r7i s VAL 816 Ca 0.39 -0.54 0.10 0.00 -1.81 0.00 0.00 61.98 60.12 1r7i s VAL 816 Cb -0.16 -1.15 -0.04 0.00 0.56 0.00 0.00 36.38 35.58 1r7i s VAL 816 CO 0.11 0.39 -0.23 -0.83 -0.31 0.00 0.00 175.10 174.24 1r7i s GLY 817 N 0.75 1.50 0.10 2.32 0.00 -0.87 -1.19 107.32 109.92 1r7i s GLY 817 Ca -0.13 -1.48 0.04 0.00 0.00 0.00 0.00 44.72 43.16 1r7i s GLY 817 CO 0.03 -1.49 -0.12 -0.51 0.00 0.00 0.00 173.10 171.01 1r7i s THR 818 N -1.51 1.06 -0.23 0.90 -4.23 0.19 -2.35 115.64 109.46 1r7i s THR 818 Ca 0.15 -1.59 -0.03 0.00 -1.18 0.00 0.00 61.69 59.04 1r7i s THR 818 Cb -0.08 -1.33 0.10 0.00 1.34 0.00 0.00 72.50 72.52 1r7i s THR 818 CO 0.07 -0.46 0.21 -0.22 -0.54 0.00 0.00 174.62 173.68 1r7i s LEU 819 N -2.30 -0.01 -0.10 4.79 2.96 -0.82 -1.58 118.68 121.61 1r7i s LEU 819 Ca 0.05 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.46 1r7i s LEU 819 Cb -0.05 0.26 0.01 0.00 0.50 0.00 0.00 46.19 46.91 1r7i s LEU 819 CO 0.01 -0.36 -0.19 -0.70 -1.32 0.00 0.00 176.35 173.79 1r7i s GLU 820 N 2.29 2.57 0.09 1.98 2.12 -1.26 -1.55 118.70 124.94 1r7i s GLU 820 Ca 0.07 -0.70 -0.26 0.00 0.36 0.00 0.00 54.97 54.44 1r7i s GLU 820 Cb -0.15 -2.04 0.08 0.00 0.26 0.00 0.00 34.13 32.28 1r7i s GLU 820 CO -0.20 0.06 0.88 0.00 -0.54 0.00 0.00 175.26 175.46 1r7i s MET 821 N 0.63 1.07 0.32 4.30 0.23 -0.96 -4.90 119.30 120.00 1r7i s MET 821 Ca -0.13 -0.50 -0.28 0.00 -1.03 0.00 0.00 55.69 53.75 1r7i s MET 821 Cb -0.16 0.43 -0.09 0.00 -1.53 0.00 0.00 34.83 33.47 1r7i s MET 821 CO 0.04 -0.48 1.08 -1.25 -2.03 0.00 0.00 175.02 172.38 1r7i s PRO 822 N -3.30 4.47 -0.40 3.16 0.04 -1.26 -0.93 135.00 136.78 1r7i s PRO 822 Ca 0.08 1.71 0.06 0.00 0.04 0.00 0.00 61.00 62.89 1r7i s PRO 822 Cb -0.01 -2.97 0.21 0.00 0.04 0.00 0.00 34.50 31.76 1r7i s PRO 822 CO -0.04 0.09 0.45 -0.12 0.04 0.00 0.00 177.00 177.41 1r7i n MET 823 N 0.77 0.46 -2.63 4.56 1.56 -0.38 -4.66 117.12 116.81 1r7i n MET 823 Ca 0.01 -3.15 -0.43 0.00 -0.27 0.00 0.00 57.70 53.86 1r7i n MET 823 Cb 0.46 -1.43 -0.02 0.00 2.15 0.00 0.00 33.22 34.38 1r7i n MET 823 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1r7i s PRO 824 N -0.54 3.63 0.09 2.12 0.04 -1.26 -4.85 135.00 134.23 1r7i s PRO 824 Ca 0.34 0.40 -0.02 0.00 0.04 0.00 0.00 61.00 61.76 1r7i s PRO 824 Cb 0.11 -3.95 -0.04 0.00 0.04 0.00 0.00 34.50 30.67 1r7i s PRO 824 CO -0.15 -1.46 0.04 0.54 0.04 0.00 0.00 177.00 176.01 1r7i s VAL 825 N 4.51 0.16 0.10 -0.36 0.11 -1.26 -4.73 120.40 118.93 1r7i s VAL 825 Ca 0.45 -1.78 0.03 0.00 -2.93 0.00 0.00 61.98 57.75 1r7i s VAL 825 Cb -0.08 -1.73 -0.04 0.00 -1.53 0.00 0.00 36.38 33.00 1r7i s VAL 825 CO 0.29 -0.72 -0.08 -0.83 -3.33 0.00 0.00 175.10 170.43 1r7i s GLY 826 N -2.97 0.83 -0.03 6.54 0.00 -1.26 -3.84 107.32 106.60 1r7i s GLY 826 Ca 0.14 -1.29 0.20 0.00 0.00 0.00 0.00 44.72 43.77 1r7i s GLY 826 CO -0.05 -1.38 0.45 1.04 0.00 0.00 0.00 173.10 173.16 1r7i n LEU 827 N 0.21 0.05 0.00 0.66 4.77 0.84 -4.91 117.00 118.62 1r7i n LEU 827 Ca -0.14 -0.03 -0.20 0.00 -0.03 0.00 0.00 56.01 55.62 1r7i n LEU 827 Cb 0.59 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.64 1r7i n LEU 827 CO 0.29 0.01 -0.14 1.33 -1.33 0.00 0.00 177.39 177.55 1r7i n VAL 828 N -2.14 0.00 0.00 4.08 0.24 -1.22 -4.72 118.33 114.56 1r7i n VAL 828 Ca -0.03 -1.51 0.00 0.00 -2.04 0.00 0.00 64.34 60.76 1r7i n VAL 828 Cb 0.50 0.34 0.00 0.00 -1.47 0.00 0.00 33.84 33.22 1r7i n VAL 828 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1r7i n GLY 829 N 1.03 -1.29 7.00 7.63 0.00 -1.26 -4.70 105.19 113.60 1r7i n GLY 829 Ca -0.12 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1r7i n GLY 829 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r7i n GLY 830 N 0.82 2.50 0.03 -0.02 0.00 -1.26 -0.93 105.19 106.34 1r7i n GLY 830 Ca 0.00 0.25 0.13 0.00 0.00 0.00 0.00 46.02 46.39 1r7i n GLY 830 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r7i n ALA 831 N 9.94 2.19 0.19 4.61 0.00 -1.26 -2.66 120.51 133.52 1r7i n ALA 831 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.42 1r7i n ALA 831 Cb 0.00 -1.43 0.39 0.00 0.00 0.00 0.00 19.45 18.40 1r7i n ALA 831 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1r7i h THR 832 N 0.00 1.13 0.02 0.00 2.02 -1.08 -2.33 112.91 112.67 1r7i h THR 832 Ca 0.00 -1.29 -0.40 0.00 0.77 0.00 0.00 66.41 65.49 1r7i h THR 832 Cb 0.52 1.72 -0.06 0.00 -1.74 0.00 0.00 68.15 68.59 1r7i h THR 832 CO 0.00 0.35 -2.30 0.29 0.37 0.00 0.00 175.52 174.24 1r7i n LYS 833 N -3.92 0.63 0.17 6.66 4.76 -1.11 -3.95 118.16 121.40 1r7i n LYS 833 Ca -0.02 0.26 0.14 0.00 -2.87 0.00 0.00 58.31 55.82 1r7i n LYS 833 Cb 0.42 -1.56 0.51 0.00 -1.84 0.00 0.00 35.03 32.55 1r7i n LYS 833 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1r7i h THR 834 N -0.50 0.00 -3.67 -0.18 1.35 -1.58 -3.43 112.91 104.91 1r7i h THR 834 Ca -0.58 -0.40 -0.66 0.00 -0.55 0.00 0.00 66.41 64.22 1r7i h THR 834 Cb 1.74 1.26 -0.17 0.00 -1.73 0.00 0.00 68.15 69.25 1r7i h THR 834 CO -0.21 0.00 -0.26 -2.28 -0.25 0.00 0.00 175.52 172.51 1r7i s HIS 835 N -3.37 3.21 0.42 4.73 5.65 -0.88 -4.95 115.29 120.10 1r7i s HIS 835 Ca 0.05 0.03 0.16 0.00 0.25 0.00 0.00 55.06 55.54 1r7i s HIS 835 Cb 0.09 -2.68 1.04 0.00 -1.18 0.00 0.00 32.58 29.85 1r7i s HIS 835 CO 0.48 -0.42 1.89 -1.35 -0.65 0.00 0.00 174.74 174.69 1r7i h PRO 836 N 8.44 0.43 0.00 2.88 0.11 -1.82 -0.32 132.00 141.71 1r7i h PRO 836 Ca -0.30 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.63 1r7i h PRO 836 Cb 1.14 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1r7i h PRO 836 CO 0.70 0.29 -0.75 -0.07 -0.21 0.00 0.00 178.00 177.95 1r7i h LEU 837 N 0.44 0.00 -0.17 2.35 3.38 -1.92 -1.71 115.31 117.68 1r7i h LEU 837 Ca 0.41 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.35 1r7i h LEU 837 Cb 0.95 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1r7i h LEU 837 CO -0.15 0.75 -0.04 0.00 0.09 0.00 0.00 178.44 179.09 1r7i h ALA 838 N 1.25 0.24 -0.73 1.53 0.00 -1.23 0.27 119.26 120.59 1r7i h ALA 838 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1r7i h ALA 838 Cb 1.44 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 1r7i h ALA 838 CO 0.10 -0.00 0.46 1.96 0.00 0.00 0.00 179.25 181.77 1r7i h GLN 839 N 0.04 0.97 -0.34 0.00 1.08 -1.28 -1.53 115.11 114.06 1r7i h GLN 839 Ca 0.04 -0.07 -0.16 0.00 -1.45 0.00 0.00 58.65 57.01 1r7i h GLN 839 Cb 0.47 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1r7i h GLN 839 CO 0.02 0.66 -0.42 1.25 -0.95 0.00 0.00 178.83 179.39 1r7i h LEU 840 N 1.00 0.92 -0.67 1.46 5.85 -0.98 -1.77 115.31 121.11 1r7i h LEU 840 Ca 0.27 -0.43 0.04 0.00 0.84 0.00 0.00 57.88 58.59 1r7i h LEU 840 Cb -0.08 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.64 1r7i h LEU 840 CO -0.05 1.21 0.41 0.28 -0.34 0.00 0.00 178.44 179.94 1r7i h SER 841 N 0.69 0.65 -0.00 1.25 0.02 0.33 0.34 113.55 116.83 1r7i h SER 841 Ca 0.05 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 1r7i h SER 841 Cb 1.00 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 1r7i h SER 841 CO 0.10 0.44 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.04 1r7i h LEU 842 N 0.78 0.25 -0.55 5.07 3.38 -1.14 0.56 115.31 123.67 1r7i h LEU 842 Ca 0.28 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 58.06 1r7i h LEU 842 Cb 0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1r7i h LEU 842 CO -0.13 0.40 -0.36 -0.09 0.09 0.00 0.00 178.44 178.35 1r7i h ARG 843 N 0.25 0.77 -0.18 1.13 2.43 0.07 -1.22 114.38 117.64 1r7i h ARG 843 Ca 0.05 -0.38 -0.13 0.00 -0.81 0.00 0.00 59.98 58.71 1r7i h ARG 843 Cb 0.37 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1r7i h ARG 843 CO 0.02 1.01 -0.45 0.82 -1.51 0.00 0.00 179.97 179.86 1r7i h ILE 844 N 0.64 1.32 -0.05 1.20 2.04 0.46 -3.19 117.51 119.93 1r7i h ILE 844 Ca 0.06 -1.64 -0.21 0.00 1.00 0.00 0.00 64.86 64.07 1r7i h ILE 844 Cb 0.91 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1r7i h ILE 844 CO 0.08 0.50 -0.86 -0.07 0.00 0.00 0.00 178.15 177.81 1r7i h LEU 845 N 0.36 0.60 0.00 1.44 3.38 -0.84 -3.39 115.31 116.86 1r7i h LEU 845 Ca 0.02 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1r7i h LEU 845 Cb 0.93 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1r7i h LEU 845 CO 0.08 1.22 0.00 0.61 0.09 0.00 0.00 178.44 180.44 1r7i n GLY 846 N 0.79 0.50 3.74 0.83 0.00 -0.47 -4.76 105.19 105.82 1r7i n GLY 846 Ca -0.06 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 1r7i n GLY 846 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1r7i s VAL 847 N -2.00 3.16 -0.46 1.61 -7.23 -1.24 -4.94 120.40 109.30 1r7i s VAL 847 Ca 0.00 0.97 0.17 0.00 -1.81 0.00 0.00 61.98 61.30 1r7i s VAL 847 Cb 0.00 -3.62 -0.21 0.00 0.56 0.00 0.00 36.38 33.11 1r7i s VAL 847 CO 0.00 0.15 0.56 0.29 -0.31 0.00 0.00 175.10 175.79 1r7i n LYS 848 N 2.47 1.12 -4.05 4.82 4.76 -1.26 -5.00 118.16 121.02 1r7i n LYS 848 Ca 0.06 -0.07 -0.08 0.00 -2.87 0.00 0.00 58.31 55.35 1r7i n LYS 848 Cb 0.43 -1.33 -0.10 0.00 -1.84 0.00 0.00 35.03 32.19 1r7i n LYS 848 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1r7i s THR 849 N -2.82 0.19 0.30 -0.18 -4.23 -1.26 -5.05 115.64 102.60 1r7i s THR 849 Ca 0.01 -1.58 -0.00 0.00 -1.18 0.00 0.00 61.69 58.94 1r7i s THR 849 Cb 0.12 -1.24 0.19 0.00 1.34 0.00 0.00 72.50 72.91 1r7i s THR 849 CO 0.69 -0.87 1.89 0.00 -0.54 0.00 0.00 174.62 175.79 1r7i h ALA 850 N 3.44 1.33 0.00 3.99 0.00 -1.83 -2.29 119.26 123.89 1r7i h ALA 850 Ca -0.34 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 1r7i h ALA 850 Cb 1.16 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1r7i h ALA 850 CO 0.60 0.51 -0.30 1.96 0.00 0.00 0.00 179.25 182.02 1r7i h GLN 851 N 0.83 0.00 -0.40 0.00 1.08 -1.89 -1.00 115.11 113.73 1r7i h GLN 851 Ca 0.20 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.28 1r7i h GLN 851 Cb 0.16 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 1r7i h GLN 851 CO -0.02 0.30 -0.24 0.00 -0.95 0.00 0.00 178.83 177.92 1r7i h ALA 852 N 1.70 0.83 -0.35 3.87 0.00 -1.83 -0.59 119.26 122.90 1r7i h ALA 852 Ca -0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 1r7i h ALA 852 Cb 0.64 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1r7i h ALA 852 CO 0.04 0.64 -0.33 1.25 0.00 0.00 0.00 179.25 180.85 1r7i h LEU 853 N 0.70 0.81 -0.69 0.00 5.85 -1.17 -2.46 115.31 118.35 1r7i h LEU 853 Ca 0.09 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 1r7i h LEU 853 Cb 0.77 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1r7i h LEU 853 CO 0.06 1.07 0.33 0.00 -0.34 0.00 0.00 178.44 179.56 1r7i h ALA 854 N 0.98 0.89 -0.49 1.25 0.00 -0.77 -0.84 119.26 120.28 1r7i h ALA 854 Ca 0.07 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1r7i h ALA 854 Cb 0.87 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1r7i h ALA 854 CO 0.08 0.45 0.07 0.93 0.00 0.00 0.00 179.25 180.77 1r7i h GLU 855 N 0.96 0.77 -0.37 0.00 5.08 -0.94 -1.69 114.58 118.39 1r7i h GLU 855 Ca 0.24 -0.17 -0.12 0.00 -1.00 0.00 0.00 59.36 58.31 1r7i h GLU 855 Cb 0.12 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1r7i h GLU 855 CO -0.03 0.73 -0.25 0.82 -1.00 0.00 0.00 179.01 179.29 1r7i h ILE 856 N 0.73 1.27 -0.23 3.13 2.04 -0.96 -2.72 117.51 120.77 1r7i h ILE 856 Ca 0.15 -1.36 0.02 0.00 1.00 0.00 0.00 64.86 64.67 1r7i h ILE 856 Cb 0.35 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1r7i h ILE 856 CO 0.01 0.45 0.11 0.00 0.00 0.00 0.00 178.15 178.72 1r7i h ALA 857 N 1.08 0.28 0.00 1.87 0.00 -0.26 -1.87 119.26 120.36 1r7i h ALA 857 Ca 0.09 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1r7i h ALA 857 Cb 0.75 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1r7i h ALA 857 CO 0.06 -0.29 -0.48 -0.39 0.00 0.00 0.00 179.25 178.14 1r7i h VAL 858 N 0.24 1.32 -0.54 0.00 -1.51 -1.38 -0.72 116.25 113.67 1r7i h VAL 858 Ca 0.10 -1.67 -0.10 0.00 -1.23 0.00 0.00 66.70 63.80 1r7i h VAL 858 Cb 0.03 1.91 -0.02 0.00 -2.13 0.00 0.00 31.29 31.08 1r7i h VAL 858 CO -0.07 0.47 -0.04 0.00 -1.23 0.00 0.00 177.57 176.70 1r7i h ALA 859 N 1.52 0.91 -0.24 5.19 0.00 -1.15 0.16 119.26 125.64 1r7i h ALA 859 Ca -0.00 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.42 1r7i h ALA 859 Cb 0.87 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1r7i h ALA 859 CO 0.06 0.64 -0.53 0.28 0.00 0.00 0.00 179.25 179.70 1r7i h VAL 860 N 0.87 1.30 -0.34 0.00 2.07 -1.05 -1.27 116.25 117.83 1r7i h VAL 860 Ca 0.15 -1.74 -0.10 0.00 0.82 0.00 0.00 66.70 65.83 1r7i h VAL 860 Cb 0.57 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 1r7i h VAL 860 CO 0.03 0.56 -0.19 1.23 0.02 0.00 0.00 177.57 179.21 1r7i h GLY 861 N 0.90 0.68 0.95 2.17 0.00 -0.78 -0.64 103.07 106.34 1r7i h GLY 861 Ca 0.02 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 46.71 1r7i h GLY 861 CO 0.11 0.49 -0.16 -2.00 0.00 0.00 0.00 176.54 174.98 1r7i h LEU 862 N 0.56 0.71 -0.62 3.11 5.85 -0.52 -2.24 115.31 122.16 1r7i h LEU 862 Ca 0.09 -0.41 -0.06 0.00 0.84 0.00 0.00 57.88 58.34 1r7i h LEU 862 Cb 0.64 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1r7i h LEU 862 CO 0.05 0.96 0.15 0.00 -0.34 0.00 0.00 178.44 179.25 1r7i h ALA 863 N 0.77 0.81 -0.66 1.25 0.00 -1.05 -1.68 119.26 118.71 1r7i h ALA 863 Ca 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1r7i h ALA 863 Cb 0.69 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1r7i h ALA 863 CO 0.05 0.52 0.33 0.37 0.00 0.00 0.00 179.25 180.52 1r7i h GLN 864 N 0.90 0.95 -0.45 0.00 5.75 -1.04 -0.69 115.11 120.53 1r7i h GLN 864 Ca 0.19 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.54 1r7i h GLN 864 Cb 0.35 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 1r7i h GLN 864 CO 0.00 0.75 0.22 -0.97 -2.65 0.00 0.00 178.83 176.18 1r7i h ASN 865 N 0.92 0.59 0.02 -0.69 -1.24 -1.21 -2.23 115.58 111.74 1r7i h ASN 865 Ca 0.23 -0.13 0.03 0.00 0.71 0.00 0.00 56.30 57.14 1r7i h ASN 865 Cb 0.10 -0.15 -0.04 0.00 0.73 0.00 0.00 38.32 38.96 1r7i h ASN 865 CO -0.03 0.55 -0.23 0.25 -1.29 0.00 0.00 177.43 176.69 1r7i h LEU 866 N 0.59 -0.67 -0.50 0.34 5.85 -0.90 -1.79 115.31 118.23 1r7i h LEU 866 Ca 0.16 0.09 0.07 0.00 0.84 0.00 0.00 57.88 59.04 1r7i h LEU 866 Cb 0.12 0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 1r7i h LEU 866 CO -0.02 -0.30 0.16 1.23 -0.34 0.00 0.00 178.44 179.17 1r7i h GLY 867 N -0.37 0.65 0.70 3.75 0.00 -0.98 0.12 103.07 106.94 1r7i h GLY 867 Ca 0.06 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.35 1r7i h GLY 867 CO -0.19 -0.00 0.19 0.00 0.00 0.00 0.00 176.54 176.54 1r7i h ALA 868 N 1.34 0.54 -0.27 3.60 0.00 -1.10 -0.58 119.26 122.79 1r7i h ALA 868 Ca 0.24 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.01 1r7i h ALA 868 Cb 0.27 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1r7i h ALA 868 CO -0.26 -0.18 -0.51 0.52 0.00 0.00 0.00 179.25 178.83 1r7i h MET 869 N 0.39 0.76 -0.74 0.00 2.07 -0.91 -2.13 114.93 114.37 1r7i h MET 869 Ca 0.20 -0.46 -0.01 0.00 -2.07 0.00 0.00 59.70 57.36 1r7i h MET 869 Cb 0.14 0.04 -0.04 0.00 -1.87 0.00 0.00 31.60 29.88 1r7i h MET 869 CO -0.17 1.08 0.43 -0.09 1.07 0.00 0.00 176.91 179.24 1r7i h ARG 870 N 0.59 1.02 0.69 1.72 2.43 -0.43 0.11 114.38 120.50 1r7i h ARG 870 Ca 0.02 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 1r7i h ARG 870 Cb 1.09 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 30.44 1r7i h ARG 870 CO 0.11 0.73 -0.33 0.00 -1.51 0.00 0.00 179.97 178.97 1r7i h ALA 871 N 1.23 -0.92 -0.63 2.80 0.00 -0.95 0.35 119.26 121.14 1r7i h ALA 871 Ca 0.26 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1r7i h ALA 871 Cb -0.01 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1r7i h ALA 871 CO -0.05 -0.98 0.42 -0.07 0.00 0.00 0.00 179.25 178.57 1r7i h LEU 872 N -1.00 0.72 -0.82 0.00 3.38 -1.27 -2.08 115.31 114.24 1r7i h LEU 872 Ca -0.09 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 1r7i h LEU 872 Cb 0.73 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1r7i h LEU 872 CO 0.16 0.52 -0.58 0.00 0.09 0.00 0.00 178.44 178.63 1r7i h ALA 873 N 1.61 1.02 -0.00 1.53 0.00 -0.61 -3.23 119.26 119.59 1r7i h ALA 873 Ca 0.23 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1r7i h ALA 873 Cb -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1r7i h ALA 873 CO -0.05 0.72 -0.58 0.25 0.00 0.00 0.00 179.25 179.59 1r7i n THR 874 N -3.86 0.00 -2.56 0.00 -2.24 0.10 -4.93 114.28 100.79 1r7i n THR 874 Ca -0.01 -0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.34 1r7i n THR 874 Cb 0.58 0.46 -0.04 0.00 -2.10 0.00 0.00 70.33 69.23 1r7i n THR 874 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1r7i s GLU 875 N -2.93 4.65 0.49 -0.78 2.56 -0.84 -4.97 118.70 116.88 1r7i s GLU 875 Ca 0.12 1.68 -0.02 0.00 0.00 0.00 0.00 54.97 56.75 1r7i s GLU 875 Cb 0.17 -3.27 -0.00 0.00 2.00 0.00 0.00 34.13 33.03 1r7i s GLU 875 CO 0.71 0.18 0.74 0.20 -0.56 0.00 0.00 175.26 176.53 1r7i s GLY 876 N -0.40 1.56 0.00 -1.50 0.00 -1.26 -5.03 107.32 100.69 1r7i s GLY 876 Ca 0.47 -0.90 0.29 0.00 0.00 0.00 0.00 44.72 44.58 1r7i s GLY 876 CO 0.35 -0.70 2.07 1.39 0.00 0.00 0.00 173.10 176.21