#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1isy n GLU 502 N 0.00 0.00 0.02 0.00 0.28 -1.26 -2.98 120.64 116.70 1isy n GLU 502 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.11 1isy n GLU 502 Cb 0.00 -0.95 0.08 0.00 1.43 0.00 0.00 31.44 32.00 1isy n GLU 502 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1isy n SER 503 N 0.10 0.63 -4.35 -1.84 3.41 -1.26 -4.78 113.62 105.53 1isy n SER 503 Ca 0.00 -0.25 -0.22 0.00 -0.26 0.00 0.00 58.87 58.14 1isy n SER 503 Cb 0.00 0.60 -0.11 0.00 -0.26 0.00 0.00 64.21 64.44 1isy n SER 503 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1isy s THR 504 N -3.13 1.89 0.14 6.66 -4.23 -1.16 -5.04 115.64 110.77 1isy s THR 504 Ca 0.06 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.39 1isy s THR 504 Cb 0.15 -1.92 -0.02 0.00 1.34 0.00 0.00 72.50 72.05 1isy s THR 504 CO 0.77 -0.34 1.75 -0.07 -0.54 0.00 0.00 174.62 176.19 1isy h LEU 505 N 3.09 0.12 -0.06 4.79 3.38 -1.88 -0.46 115.31 124.29 1isy h LEU 505 Ca -0.42 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1isy h LEU 505 Cb 1.21 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1isy h LEU 505 CO 0.53 0.10 0.04 1.23 0.09 0.00 0.00 178.44 180.43 1isy h GLY 506 N 0.23 0.09 1.18 0.83 0.00 -1.04 -0.24 103.07 104.11 1isy h GLY 506 Ca 0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 1isy h GLY 506 CO -0.11 0.03 0.29 0.00 0.00 0.00 0.00 176.54 176.75 1isy h ALA 507 N 1.00 1.17 -0.33 3.60 0.00 -1.77 -1.09 119.26 121.84 1isy h ALA 507 Ca 0.02 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1isy h ALA 507 Cb 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1isy h ALA 507 CO -0.00 0.61 -0.08 0.00 0.00 0.00 0.00 179.25 179.77 1isy h ALA 508 N 1.28 0.46 -0.79 0.00 0.00 -0.90 -2.84 119.26 116.48 1isy h ALA 508 Ca 0.24 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1isy h ALA 508 Cb 0.19 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1isy h ALA 508 CO -0.02 0.30 0.52 0.00 0.00 0.00 0.00 179.25 180.05 1isy h ALA 509 N 0.81 1.46 0.00 0.00 0.00 -0.74 -0.67 119.26 120.12 1isy h ALA 509 Ca 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1isy h ALA 509 Cb 0.57 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1isy h ALA 509 CO 0.03 0.49 -0.01 0.00 0.00 0.00 0.00 179.25 179.77 1isy h ALA 510 N 1.51 1.03 0.00 0.00 0.00 -0.15 -0.46 119.26 121.19 1isy h ALA 510 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1isy h ALA 510 Cb -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1isy h ALA 510 CO -0.07 0.01 0.00 1.04 0.00 0.00 0.00 179.25 180.23 1isy n GLN 511 N -3.14 0.04 -0.08 0.00 6.02 -0.26 -1.27 117.38 118.70 1isy n GLN 511 Ca -0.01 0.34 0.05 0.00 -0.01 0.00 0.00 57.00 57.36 1isy n GLN 511 Cb 0.18 -1.58 0.07 0.00 1.02 0.00 0.00 30.24 29.93 1isy n GLN 511 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1isy n SER 512 N -1.66 1.90 -0.18 1.08 3.41 -0.67 -4.96 113.62 112.54 1isy n SER 512 Ca 0.03 -2.50 -0.02 0.00 -0.26 0.00 0.00 58.87 56.11 1isy n SER 512 Cb 0.15 -0.24 -0.01 0.00 -0.26 0.00 0.00 64.21 63.85 1isy n SER 512 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1isy n GLY 513 N -0.91 0.57 3.79 5.00 0.00 -0.40 -5.03 105.19 108.21 1isy n GLY 513 Ca 0.08 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 1isy n GLY 513 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1isy s ARG 514 N -1.54 2.30 0.32 1.61 0.52 -0.27 -4.93 118.95 116.96 1isy s ARG 514 Ca 0.00 -1.79 0.10 0.00 -0.52 0.00 0.00 55.73 53.52 1isy s ARG 514 Cb 0.00 -2.08 -0.05 0.00 0.52 0.00 0.00 34.95 33.34 1isy s ARG 514 CO 0.00 -0.18 -0.06 1.52 0.02 0.00 0.00 175.30 176.61 1isy s TYR 515 N -2.59 2.48 -0.08 -0.53 -0.85 -1.11 -1.55 117.35 113.13 1isy s TYR 515 Ca 0.42 -0.40 -0.02 0.00 -0.52 0.00 0.00 57.07 56.55 1isy s TYR 515 Cb 0.02 -1.32 0.03 0.00 0.38 0.00 0.00 41.96 41.07 1isy s TYR 515 CO 0.23 0.57 0.01 0.12 -1.52 0.00 0.00 175.55 174.96 1isy s PHE 516 N -2.51 0.64 0.21 -3.49 2.19 -1.26 -1.92 117.98 111.85 1isy s PHE 516 Ca 0.33 -0.18 0.01 0.00 0.33 0.00 0.00 56.93 57.42 1isy s PHE 516 Cb -0.01 -0.79 -0.00 0.00 -1.31 0.00 0.00 43.02 40.90 1isy s PHE 516 CO 0.18 -0.34 0.02 0.41 1.83 0.00 0.00 175.22 177.32 1isy n GLY 517 N 5.15 3.86 3.50 13.12 0.00 0.94 -1.55 105.19 130.22 1isy n GLY 517 Ca -0.07 -2.19 -0.12 0.00 0.00 0.00 0.00 46.02 43.64 1isy n GLY 517 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1isy s THR 518 N -1.92 0.00 -0.20 2.61 -1.32 -1.03 -1.49 115.64 112.29 1isy s THR 518 Ca 0.03 -1.56 -0.11 0.00 -1.21 0.00 0.00 61.69 58.84 1isy s THR 518 Cb 0.00 -2.45 -0.05 0.00 -1.51 0.00 0.00 72.50 68.49 1isy s THR 518 CO 0.02 0.00 0.17 0.00 -2.21 0.00 0.00 174.62 172.60 1isy s ALA 519 N -3.57 3.65 -0.11 11.08 0.00 -1.11 -2.05 121.76 129.65 1isy s ALA 519 Ca 0.28 -0.69 -0.03 0.00 0.00 0.00 0.00 51.96 51.52 1isy s ALA 519 Cb 0.00 -2.26 -0.03 0.00 0.00 0.00 0.00 23.12 20.83 1isy s ALA 519 CO 0.14 0.05 0.02 0.42 0.00 0.00 0.00 175.76 176.39 1isy s ILE 520 N 0.57 4.44 -0.20 0.00 -1.09 0.37 -4.22 121.20 121.07 1isy s ILE 520 Ca 0.10 -0.19 -0.03 0.00 -2.23 0.00 0.00 60.65 58.30 1isy s ILE 520 Cb -0.12 -2.90 -0.01 0.00 -1.58 0.00 0.00 42.46 37.85 1isy s ILE 520 CO 0.01 0.58 -0.06 0.00 -1.23 0.00 0.00 174.94 174.23 1isy s ALA 521 N -0.59 2.78 0.36 9.38 0.00 -1.26 -1.27 121.76 131.16 1isy s ALA 521 Ca 0.10 -1.11 0.07 0.00 0.00 0.00 0.00 51.96 51.02 1isy s ALA 521 Cb -0.12 -1.60 0.76 0.00 0.00 0.00 0.00 23.12 22.16 1isy s ALA 521 CO 0.02 -0.29 1.94 0.66 0.00 0.00 0.00 175.76 178.08 1isy h SER 522 N 7.82 0.66 0.20 0.00 4.64 -1.97 -1.56 113.55 123.35 1isy h SER 522 Ca -0.39 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1isy h SER 522 Cb 1.17 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1isy h SER 522 CO 0.60 0.41 0.00 0.61 -0.87 0.00 0.00 176.83 177.58 1isy n GLY 523 N -1.45 -0.67 0.30 -0.77 0.00 -1.26 -2.11 105.19 99.22 1isy n GLY 523 Ca 0.12 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.14 1isy n GLY 523 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1isy n LYS 524 N -1.23 1.85 0.21 1.61 5.02 -0.59 -4.53 118.16 120.50 1isy n LYS 524 Ca 0.07 -0.72 0.15 0.00 -2.02 0.00 0.00 58.31 55.79 1isy n LYS 524 Cb 0.10 -1.16 0.68 0.00 -0.02 0.00 0.00 35.03 34.62 1isy n LYS 524 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1isy h LEU 525 N 1.45 0.00 -0.32 -0.35 3.38 -1.45 -1.51 115.31 116.51 1isy h LEU 525 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1isy h LEU 525 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1isy h LEU 525 CO 0.00 0.00 -0.16 0.61 0.09 0.00 0.00 178.44 178.98 1isy n GLY 526 N -0.45 -0.83 3.47 0.83 0.00 -1.26 -4.69 105.19 102.25 1isy n GLY 526 Ca 0.00 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 1isy n GLY 526 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1isy s ASP 527 N -2.49 6.25 0.27 1.61 -1.08 -0.57 -4.95 116.67 115.72 1isy s ASP 527 Ca 0.27 -0.78 0.01 0.00 -0.52 0.00 0.00 52.55 51.54 1isy s ASP 527 Cb 0.20 -2.35 0.61 0.00 -1.46 0.00 0.00 42.92 39.92 1isy s ASP 527 CO 0.49 -1.05 1.75 0.28 0.52 0.00 0.00 175.17 177.16 1isy h SER 528 N 9.15 0.52 -0.61 -0.34 0.02 -1.85 -0.20 113.55 120.23 1isy h SER 528 Ca -0.27 0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.75 1isy h SER 528 Cb 1.09 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 1isy h SER 528 CO 1.03 0.18 0.28 0.00 -1.14 0.00 0.00 176.83 177.18 1isy h ALA 529 N 1.60 1.29 0.22 3.77 0.00 -1.95 0.24 119.26 124.44 1isy h ALA 529 Ca 0.50 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1isy h ALA 529 Cb 0.78 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1isy h ALA 529 CO -0.40 0.54 -0.11 -0.92 0.00 0.00 0.00 179.25 178.36 1isy h TYR 530 N 0.92 -0.28 -0.10 0.00 3.20 -1.37 -2.92 116.97 116.42 1isy h TYR 530 Ca 0.22 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.99 1isy h TYR 530 Cb 0.14 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 1isy h TYR 530 CO 0.01 0.05 -0.38 1.79 -1.64 0.00 0.00 178.16 177.99 1isy h THR 531 N -0.63 1.29 -0.12 1.81 1.35 -1.26 -0.93 112.91 114.41 1isy h THR 531 Ca -0.03 -1.41 -0.00 0.00 -0.55 0.00 0.00 66.41 64.41 1isy h THR 531 Cb 0.45 1.64 -0.01 0.00 -1.73 0.00 0.00 68.15 68.50 1isy h THR 531 CO 0.05 0.42 0.07 0.74 -0.25 0.00 0.00 175.52 176.55 1isy h THR 532 N 0.17 1.09 -0.20 6.82 2.02 -0.98 0.81 112.91 122.65 1isy h THR 532 Ca 0.02 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 1isy h THR 532 Cb 0.75 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 1isy h THR 532 CO 0.06 0.08 0.00 0.40 0.37 0.00 0.00 175.52 176.43 1isy h ILE 533 N 0.11 1.25 -0.23 3.11 2.04 -1.38 -2.69 117.51 119.72 1isy h ILE 533 Ca 0.04 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 1isy h ILE 533 Cb 0.07 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1isy h ILE 533 CO -0.01 0.26 0.14 0.00 0.00 0.00 0.00 178.15 178.54 1isy h ALA 534 N 0.79 0.29 -0.49 1.87 0.00 -1.03 -1.38 119.26 119.31 1isy h ALA 534 Ca 0.06 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1isy h ALA 534 Cb 0.38 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1isy h ALA 534 CO 0.01 -0.21 -0.12 1.03 0.00 0.00 0.00 179.25 179.96 1isy h SER 535 N 0.29 0.93 -0.23 0.00 0.87 -0.90 -2.97 113.55 111.53 1isy h SER 535 Ca 0.08 -0.30 -0.08 0.00 -1.23 0.00 0.00 61.79 60.26 1isy h SER 535 Cb 0.01 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 1isy h SER 535 CO -0.02 1.05 -0.16 -0.09 -0.53 0.00 0.00 176.83 177.09 1isy h ARG 536 N 0.82 0.52 0.00 2.24 2.43 -1.36 -3.38 114.38 115.65 1isy h ARG 536 Ca 0.13 -0.25 -0.12 0.00 -0.81 0.00 0.00 59.98 58.93 1isy h ARG 536 Cb 0.66 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 1isy h ARG 536 CO 0.05 0.81 -1.03 0.93 -1.51 0.00 0.00 179.97 179.22 1isy h GLU 537 N 0.23 0.00 -6.72 0.20 4.39 -1.31 -3.45 114.58 107.91 1isy h GLU 537 Ca 0.05 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 59.08 1isy h GLU 537 Cb 0.68 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 29.14 1isy h GLU 537 CO 0.04 0.31 -0.83 -0.06 -1.16 0.00 0.00 179.01 177.31 1isy s PHE 538 N -3.00 2.36 -0.07 4.33 0.08 -1.12 -0.51 117.98 120.05 1isy s PHE 538 Ca -0.00 -0.34 0.10 0.00 0.12 0.00 0.00 56.93 56.80 1isy s PHE 538 Cb 0.08 -1.22 0.15 0.00 -0.57 0.00 0.00 43.02 41.46 1isy s PHE 538 CO 0.78 0.43 1.04 0.27 -0.10 0.00 0.00 175.22 177.64 1isy n ASN 539 N 0.55 1.84 -3.80 1.36 0.23 -0.60 -4.83 115.26 110.01 1isy n ASN 539 Ca -0.15 -2.48 -0.13 0.00 -0.53 0.00 0.00 54.58 51.30 1isy n ASN 539 Cb 0.54 -0.24 -0.12 0.00 -2.08 0.00 0.00 39.78 37.89 1isy n ASN 539 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 1isy s MET 540 N -1.77 0.23 -0.01 -3.83 0.00 -1.23 -2.20 119.30 110.48 1isy s MET 540 Ca 0.16 0.30 0.03 0.00 0.00 0.00 0.00 55.69 56.18 1isy s MET 540 Cb 0.14 0.09 -0.01 0.00 0.00 0.00 0.00 34.83 35.05 1isy s MET 540 CO 0.02 -0.04 -0.11 0.08 0.00 0.00 0.00 175.02 174.96 1isy s VAL 541 N 0.22 0.90 -0.05 10.11 1.01 -0.05 -2.45 120.40 130.08 1isy s VAL 541 Ca -0.01 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.54 1isy s VAL 541 Cb -0.02 -0.75 -0.00 0.00 0.00 0.00 0.00 36.38 35.60 1isy s VAL 541 CO -0.01 0.26 -0.18 -0.89 0.00 0.00 0.00 175.10 174.28 1isy s THR 542 N -0.20 1.53 -0.17 3.92 2.01 -0.87 -0.40 115.64 121.47 1isy s THR 542 Ca 0.03 -0.76 -0.29 0.00 0.31 0.00 0.00 61.69 60.98 1isy s THR 542 Cb -0.05 -1.31 -0.01 0.00 0.01 0.00 0.00 72.50 71.14 1isy s THR 542 CO -0.00 0.44 1.18 0.00 -0.69 0.00 0.00 174.62 175.54 1isy s ALA 543 N 0.08 3.64 0.42 7.40 0.00 -1.26 -0.48 121.76 131.55 1isy s ALA 543 Ca -0.06 0.39 0.10 0.00 0.00 0.00 0.00 51.96 52.40 1isy s ALA 543 Cb -0.12 -3.58 0.93 0.00 0.00 0.00 0.00 23.12 20.35 1isy s ALA 543 CO 0.03 -1.06 2.02 1.49 0.00 0.00 0.00 175.76 178.24 1isy h GLU 544 N 7.84 0.48 0.00 0.00 4.81 -1.50 -3.40 114.58 122.81 1isy h GLU 544 Ca -0.25 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1isy h GLU 544 Cb 1.10 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.37 1isy h GLU 544 CO 0.96 0.32 0.00 0.09 -0.73 0.00 0.00 179.01 179.64 1isy n ASN 545 N -4.47 0.00 0.16 1.04 3.02 -1.26 -4.95 115.26 108.80 1isy n ASN 545 Ca 0.06 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.72 1isy n ASN 545 Cb 0.20 0.00 0.56 0.00 -0.61 0.00 0.00 39.78 39.93 1isy n ASN 545 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1isy n GLU 546 N -0.24 0.13 -0.15 3.52 4.71 -1.26 -2.02 120.64 125.33 1isy n GLU 546 Ca 0.00 0.63 0.05 0.00 -0.01 0.00 0.00 57.16 57.83 1isy n GLU 546 Cb 0.00 -1.96 0.12 0.00 -1.01 0.00 0.00 31.44 28.58 1isy n GLU 546 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 1isy n MET 547 N -2.23 2.82 -1.28 3.49 2.81 -1.25 -3.42 117.12 118.07 1isy n MET 547 Ca -0.01 -2.01 -0.29 0.00 -1.81 0.00 0.00 57.70 53.58 1isy n MET 547 Cb 0.06 -1.27 0.19 0.00 -0.71 0.00 0.00 33.22 31.49 1isy n MET 547 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1isy s LYS 548 N -1.33 -0.03 0.11 0.03 1.02 -0.86 -3.16 119.74 115.53 1isy s LYS 548 Ca 0.19 0.17 -0.19 0.00 0.02 0.00 0.00 55.97 56.16 1isy s LYS 548 Cb 0.12 -1.71 -0.05 0.00 -0.52 0.00 0.00 37.83 35.66 1isy s LYS 548 CO 0.09 -2.96 1.67 0.82 -0.92 0.00 0.00 175.35 174.05 1isy h ILE 549 N -2.05 1.16 -0.01 2.17 2.04 -1.80 -1.49 117.51 117.53 1isy h ILE 549 Ca -0.50 -0.46 -0.08 0.00 1.00 0.00 0.00 64.86 64.82 1isy h ILE 549 Cb 1.31 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 1isy h ILE 549 CO 0.49 0.16 -0.36 -2.24 0.00 0.00 0.00 178.15 176.20 1isy h ASP 550 N 0.30 0.03 0.81 1.72 2.03 -1.84 -1.36 116.42 118.11 1isy h ASP 550 Ca 0.09 -0.01 -0.20 0.00 -0.73 0.00 0.00 57.03 56.18 1isy h ASP 550 Cb 0.14 -0.01 -0.02 0.00 -0.83 0.00 0.00 39.33 38.61 1isy h ASP 550 CO -0.01 0.39 -0.94 0.00 -1.03 0.00 0.00 179.24 177.65 1isy h ALA 551 N 1.61 0.46 0.00 4.15 0.00 -1.81 -3.23 119.26 120.45 1isy h ALA 551 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1isy h ALA 551 Cb 0.65 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1isy h ALA 551 CO 0.05 1.07 -1.32 0.25 0.00 0.00 0.00 179.25 179.30 1isy n THR 552 N -3.51 0.23 -3.13 0.00 -2.24 -0.58 -4.54 114.28 100.52 1isy n THR 552 Ca -0.02 -0.39 -0.21 0.00 -2.27 0.00 0.00 64.05 61.15 1isy n THR 552 Cb 0.87 0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 69.08 1isy n THR 552 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1isy n GLU 553 N -2.23 0.67 -0.31 -0.78 2.13 -0.53 -0.52 120.64 119.07 1isy n GLU 553 Ca -0.00 -2.95 0.20 0.00 0.66 0.00 0.00 57.16 55.06 1isy n GLU 553 Cb 0.50 -1.30 0.47 0.00 0.27 0.00 0.00 31.44 31.38 1isy n GLU 553 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 1isy h PRO 554 N 4.15 0.46 -4.59 5.31 0.11 -1.57 -3.42 132.00 132.47 1isy h PRO 554 Ca 0.05 -0.03 -0.26 0.00 0.11 0.00 0.00 66.00 65.87 1isy h PRO 554 Cb 0.91 -0.10 -0.20 0.00 0.11 0.00 0.00 31.00 31.72 1isy h PRO 554 CO 0.42 0.31 -0.73 -0.65 -0.21 0.00 0.00 178.00 177.15 1isy s GLN 555 N -5.56 0.60 -0.06 1.05 -1.52 -1.25 -4.83 119.66 108.09 1isy s GLN 555 Ca -0.09 -0.90 -0.33 0.00 -1.95 0.00 0.00 55.36 52.09 1isy s GLN 555 Cb 0.25 -0.27 -0.11 0.00 -0.22 0.00 0.00 33.01 32.66 1isy s GLN 555 CO 0.80 0.03 1.92 -2.13 -0.25 0.00 0.00 175.29 175.66 1isy n ARG 556 N 1.10 2.37 -0.83 2.91 0.63 -1.26 -0.61 116.66 120.97 1isy n ARG 556 Ca -0.20 0.87 0.00 0.00 -0.92 0.00 0.00 57.85 57.59 1isy n ARG 556 Cb 0.56 -2.77 0.00 0.00 0.45 0.00 0.00 32.46 30.71 1isy n ARG 556 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1isy n GLY 557 N 4.51 0.91 3.09 5.14 0.00 -1.26 -4.99 105.19 112.60 1isy n GLY 557 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 1isy n GLY 557 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1isy s GLN 558 N -0.17 2.24 0.42 1.61 0.74 0.22 -5.09 119.66 119.64 1isy s GLN 558 Ca 0.00 -2.21 -0.17 0.00 0.05 0.00 0.00 55.36 53.03 1isy s GLN 558 Cb 0.00 -3.62 -0.09 0.00 1.10 0.00 0.00 33.01 30.40 1isy s GLN 558 CO 0.00 -1.12 0.88 -0.06 -0.55 0.00 0.00 175.29 174.45 1isy s PHE 559 N 0.47 3.39 -0.12 1.67 0.08 -1.26 -3.32 117.98 118.88 1isy s PHE 559 Ca 0.13 1.40 -0.04 0.00 0.12 0.00 0.00 56.93 58.54 1isy s PHE 559 Cb -0.22 -2.70 0.06 0.00 -0.57 0.00 0.00 43.02 39.59 1isy s PHE 559 CO -0.04 -0.13 0.20 1.21 -0.10 0.00 0.00 175.22 176.36 1isy s ASN 560 N -2.58 0.80 -0.02 1.36 3.84 0.32 -4.94 114.94 113.71 1isy s ASN 560 Ca 0.58 0.28 0.06 0.00 0.21 0.00 0.00 52.86 53.99 1isy s ASN 560 Cb -0.10 0.40 0.16 0.00 -0.55 0.00 0.00 41.25 41.17 1isy s ASN 560 CO 0.22 -0.26 1.12 0.49 -2.79 0.00 0.00 177.10 175.88 1isy n PHE 561 N 5.33 0.21 0.06 0.43 3.72 -1.26 -4.04 117.46 121.91 1isy n PHE 561 Ca -0.05 -0.57 -0.11 0.00 -0.05 0.00 0.00 57.45 56.67 1isy n PHE 561 Cb 0.50 -0.07 -0.04 0.00 -0.94 0.00 0.00 39.48 38.92 1isy n PHE 561 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1isy h SER 562 N 0.78 -0.58 -0.47 4.37 4.64 -1.95 0.19 113.55 120.53 1isy h SER 562 Ca 0.00 0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 1isy h SER 562 Cb 0.68 0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.99 1isy h SER 562 CO 0.01 -0.26 0.17 0.00 -0.87 0.00 0.00 176.83 175.88 1isy h ALA 563 N 0.58 0.61 -0.80 5.18 0.00 -1.87 -2.42 119.26 120.54 1isy h ALA 563 Ca 0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1isy h ALA 563 Cb 0.39 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1isy h ALA 563 CO -0.18 0.24 0.33 0.78 0.00 0.00 0.00 179.25 180.42 1isy h GLY 564 N 0.62 1.28 1.92 0.00 0.00 -1.52 -2.85 103.07 102.53 1isy h GLY 564 Ca 0.15 -0.69 -0.09 0.00 0.00 0.00 0.00 47.33 46.70 1isy h GLY 564 CO -0.01 0.65 -0.39 -0.55 0.00 0.00 0.00 176.54 176.25 1isy h ASP 565 N 1.16 0.09 -0.56 0.19 3.32 -0.48 -0.21 116.42 119.93 1isy h ASP 565 Ca 0.27 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 1isy h ASP 565 Cb 0.21 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 1isy h ASP 565 CO -0.02 0.47 0.32 0.03 -1.72 0.00 0.00 179.24 178.32 1isy h ARG 566 N 0.08 0.77 0.06 3.56 3.08 -1.20 0.56 114.38 121.29 1isy h ARG 566 Ca 0.01 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1isy h ARG 566 Cb 0.72 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1isy h ARG 566 CO 0.05 0.57 -0.03 0.28 -1.07 0.00 0.00 179.97 179.77 1isy h VAL 567 N 0.75 1.15 -0.10 2.04 2.07 -1.39 -2.39 116.25 118.37 1isy h VAL 567 Ca 0.20 -0.73 0.03 0.00 0.82 0.00 0.00 66.70 67.02 1isy h VAL 567 Cb 0.01 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1isy h VAL 567 CO -0.03 0.18 -0.11 0.22 0.02 0.00 0.00 177.57 177.85 1isy h TYR 568 N -0.41 -0.27 -0.89 1.57 3.20 -0.79 -0.98 116.97 118.39 1isy h TYR 568 Ca -0.01 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.93 1isy h TYR 568 Cb 0.36 0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.71 1isy h TYR 568 CO 0.04 -0.17 0.57 -0.91 -1.64 0.00 0.00 178.16 176.04 1isy h ASN 569 N -0.14 0.91 -0.61 -2.11 2.35 0.09 -1.68 115.58 114.38 1isy h ASN 569 Ca 0.08 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 1isy h ASN 569 Cb 0.25 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1isy h ASN 569 CO -0.18 0.59 0.21 -0.25 -1.65 0.00 0.00 177.43 176.15 1isy h TRP 570 N 1.05 0.96 0.73 1.19 7.01 -0.99 -0.70 115.95 125.21 1isy h TRP 570 Ca 0.38 -0.09 -0.03 0.00 2.11 0.00 0.00 58.89 61.26 1isy h TRP 570 Cb 0.12 -0.28 0.01 0.00 -2.10 0.00 0.00 29.16 26.91 1isy h TRP 570 CO -0.02 0.78 -0.36 0.00 -2.79 0.00 0.00 178.44 176.05 1isy h ALA 571 N 1.07 -0.99 -0.84 2.65 0.00 -0.43 -2.05 119.26 118.67 1isy h ALA 571 Ca 0.20 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1isy h ALA 571 Cb 0.26 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1isy h ALA 571 CO -0.01 -1.06 0.40 -0.39 0.00 0.00 0.00 179.25 178.19 1isy h VAL 572 N -0.99 1.26 -0.78 0.00 -1.51 -1.33 0.12 116.25 113.02 1isy h VAL 572 Ca -0.10 -0.73 0.11 0.00 -1.23 0.00 0.00 66.70 64.75 1isy h VAL 572 Cb 0.77 0.18 -0.05 0.00 -2.13 0.00 0.00 31.29 30.06 1isy h VAL 572 CO 0.16 0.31 0.51 -0.61 -1.23 0.00 0.00 177.57 176.71 1isy h GLN 573 N 1.20 0.65 -0.67 5.19 5.75 -1.05 -1.73 115.11 124.45 1isy h GLN 573 Ca 0.29 -0.04 -0.24 0.00 -0.15 0.00 0.00 58.65 58.51 1isy h GLN 573 Cb 0.12 -0.15 -0.14 0.00 1.07 0.00 0.00 27.48 28.38 1isy h GLN 573 CO -0.04 0.43 0.25 0.09 -2.65 0.00 0.00 178.83 176.92 1isy n ASN 574 N -4.51 4.17 -2.19 -0.69 3.02 -0.76 -4.95 115.26 109.35 1isy n ASN 574 Ca 0.13 -3.36 -0.16 0.00 -0.03 0.00 0.00 54.58 51.17 1isy n ASN 574 Cb 0.36 -0.72 0.03 0.00 -0.61 0.00 0.00 39.78 38.84 1isy n ASN 574 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1isy n GLY 575 N -0.53 -0.15 3.47 7.41 0.00 -0.65 -5.02 105.19 109.72 1isy n GLY 575 Ca 0.41 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 1isy n GLY 575 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1isy s LYS 576 N -5.38 2.09 0.83 1.61 3.01 0.34 -4.86 119.74 117.39 1isy s LYS 576 Ca 0.22 -0.97 -0.12 0.00 -1.01 0.00 0.00 55.97 54.09 1isy s LYS 576 Cb -0.10 -2.21 0.11 0.00 -1.01 0.00 0.00 37.83 34.62 1isy s LYS 576 CO 0.28 0.54 1.19 -0.65 0.51 0.00 0.00 175.35 177.21 1isy s GLN 577 N -1.50 1.66 -0.02 1.68 -0.21 -0.94 -3.85 119.66 116.48 1isy s GLN 577 Ca 0.15 -0.10 0.02 0.00 0.02 0.00 0.00 55.36 55.46 1isy s GLN 577 Cb -0.11 -1.96 0.00 0.00 1.00 0.00 0.00 33.01 31.94 1isy s GLN 577 CO 0.06 -1.75 -0.09 0.08 -2.12 0.00 0.00 175.29 171.47 1isy s VAL 578 N -3.60 0.73 -0.24 1.09 1.01 -1.26 -0.87 120.40 117.26 1isy s VAL 578 Ca 0.65 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 62.19 1isy s VAL 578 Cb -0.09 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 1isy s VAL 578 CO 0.49 0.22 0.10 -0.13 0.00 0.00 0.00 175.10 175.79 1isy s ARG 579 N 0.06 3.83 0.09 2.72 0.52 0.47 -1.68 118.95 124.95 1isy s ARG 579 Ca -0.01 -0.40 -0.30 0.00 -0.52 0.00 0.00 55.73 54.50 1isy s ARG 579 Cb -0.07 -3.39 -0.05 0.00 0.52 0.00 0.00 34.95 31.96 1isy s ARG 579 CO 0.00 -0.06 1.00 0.20 0.02 0.00 0.00 175.30 176.46 1isy s GLY 580 N 1.33 2.92 -0.13 -3.53 0.00 0.38 -4.22 107.32 104.06 1isy s GLY 580 Ca 0.06 0.62 -0.04 0.00 0.00 0.00 0.00 44.72 45.36 1isy s GLY 580 CO 0.05 1.58 0.17 -1.58 0.00 0.00 0.00 173.10 173.31 1isy s HIS 581 N 0.29 -0.15 0.02 1.90 5.04 -1.26 -0.67 115.29 120.45 1isy s HIS 581 Ca 0.49 0.37 -0.12 0.00 -1.54 0.00 0.00 55.06 54.27 1isy s HIS 581 Cb -0.24 -0.35 0.01 0.00 0.04 0.00 0.00 32.58 32.04 1isy s HIS 581 CO 0.30 -0.40 0.25 -0.08 -2.34 0.00 0.00 174.74 172.47 1isy s THR 582 N 2.28 0.08 -0.01 0.89 -1.32 -1.19 -3.04 115.64 113.33 1isy s THR 582 Ca 0.04 -0.68 -0.03 0.00 -1.21 0.00 0.00 61.69 59.81 1isy s THR 582 Cb -0.14 -0.76 -0.27 0.00 -1.51 0.00 0.00 72.50 69.82 1isy s THR 582 CO -0.08 -0.37 0.82 -0.07 -2.21 0.00 0.00 174.62 172.70 1isy h LEU 583 N 3.64 0.38 -7.53 9.08 3.38 -1.42 -3.36 115.31 119.49 1isy h LEU 583 Ca -0.31 -0.55 -0.41 0.00 0.09 0.00 0.00 57.88 56.70 1isy h LEU 583 Cb 1.19 -0.12 -0.37 0.00 0.09 0.00 0.00 40.66 41.45 1isy h LEU 583 CO 0.44 1.46 -0.76 0.00 0.09 0.00 0.00 178.44 179.67 1isy s ALA 584 N -2.61 0.57 -0.16 1.53 0.00 0.45 -4.70 121.76 116.85 1isy s ALA 584 Ca -0.10 -0.03 -0.28 0.00 0.00 0.00 0.00 51.96 51.55 1isy s ALA 584 Cb 0.07 -0.60 0.08 0.00 0.00 0.00 0.00 23.12 22.67 1isy s ALA 584 CO 0.85 -0.32 0.76 -0.46 0.00 0.00 0.00 175.76 176.58 1isy s TRP 585 N 1.65 -0.66 0.00 0.00 -0.00 -1.26 -1.20 118.94 117.48 1isy s TRP 585 Ca -0.00 1.34 0.18 0.00 -0.00 0.00 0.00 56.10 57.62 1isy s TRP 585 Cb -0.13 0.36 0.45 0.00 -0.00 0.00 0.00 33.47 34.15 1isy s TRP 585 CO -0.04 -0.47 1.62 1.12 -0.00 0.00 0.00 176.95 179.18 1isy h HIS 586 N 3.72 0.00 -2.70 5.86 2.07 -1.88 -3.44 115.15 118.77 1isy h HIS 586 Ca -0.27 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 56.74 1isy h HIS 586 Cb 1.15 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.12 1isy h HIS 586 CO 0.37 0.40 -0.34 0.45 -3.07 0.00 0.00 177.93 175.73 1isy s SER 587 N -6.39 6.36 -1.48 3.10 0.15 -1.26 -4.45 113.70 109.73 1isy s SER 587 Ca 0.02 0.33 -0.12 0.00 0.70 0.00 0.00 55.95 56.88 1isy s SER 587 Cb 0.09 -1.98 0.08 0.00 -1.71 0.00 0.00 66.02 62.50 1isy s SER 587 CO 0.70 -0.07 0.81 0.00 1.20 0.00 0.00 173.24 175.88 1isy n GLN 588 N -0.91 -4.84 -3.01 5.44 6.02 -1.26 -4.93 117.38 113.89 1isy n GLN 588 Ca -0.06 0.59 -0.37 0.00 -0.01 0.00 0.00 57.00 57.16 1isy n GLN 588 Cb 0.55 -5.43 -0.06 0.00 1.02 0.00 0.00 30.24 26.31 1isy n GLN 588 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1isy s GLN 589 N -6.38 4.39 0.79 -1.09 -0.21 -1.26 -3.35 119.66 112.55 1isy s GLN 589 Ca 0.57 1.03 -0.13 0.00 0.02 0.00 0.00 55.36 56.85 1isy s GLN 589 Cb -0.28 -2.96 0.07 0.00 1.00 0.00 0.00 33.01 30.84 1isy s GLN 589 CO 0.70 0.42 1.16 -1.25 -2.12 0.00 0.00 175.29 174.19 1isy s PRO 590 N -1.78 1.87 0.26 2.91 0.04 -1.26 -4.69 135.00 132.35 1isy s PRO 590 Ca 0.42 1.55 -0.02 0.00 0.04 0.00 0.00 61.00 63.00 1isy s PRO 590 Cb -0.19 -1.82 0.54 0.00 0.04 0.00 0.00 34.50 33.07 1isy s PRO 590 CO 0.23 -2.00 1.71 0.78 0.04 0.00 0.00 177.00 177.76 1isy h GLY 591 N -0.91 1.25 1.97 0.56 0.00 -1.96 -0.82 103.07 103.16 1isy h GLY 591 Ca -0.45 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1isy h GLY 591 CO 0.48 -0.16 -0.04 0.11 0.00 0.00 0.00 176.54 176.92 1isy h TRP 592 N 0.41 0.04 0.13 5.60 5.08 -1.90 -2.31 115.95 122.99 1isy h TRP 592 Ca 0.46 -0.00 -0.29 0.00 1.08 0.00 0.00 58.89 60.14 1isy h TRP 592 Cb 0.77 -0.01 0.00 0.00 -3.00 0.00 0.00 29.16 26.92 1isy h TRP 592 CO -0.18 0.08 -1.34 1.98 -1.28 0.00 0.00 178.44 177.71 1isy h MET 593 N 0.04 0.27 -0.02 0.12 4.05 -1.52 -3.27 114.93 114.60 1isy h MET 593 Ca 0.01 -0.46 -0.00 0.00 -0.28 0.00 0.00 59.70 58.97 1isy h MET 593 Cb 0.10 0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 31.07 1isy h MET 593 CO 0.01 1.19 -0.01 1.96 0.23 0.00 0.00 176.91 180.28 1isy h GLN 594 N 0.07 0.02 0.00 0.39 4.20 -0.80 -0.61 115.11 118.38 1isy h GLN 594 Ca -0.17 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.54 1isy h GLN 594 Cb 1.99 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.77 1isy h GLN 594 CO 0.19 0.04 0.00 0.43 -0.67 0.00 0.00 178.83 178.82 1isy n SER 595 N -4.51 0.00 -4.92 1.46 7.64 -1.02 -4.87 113.62 107.40 1isy n SER 595 Ca -0.03 -0.28 -0.28 0.00 1.01 0.00 0.00 58.87 59.29 1isy n SER 595 Cb 0.11 -0.23 -0.03 0.00 -1.01 0.00 0.00 64.21 63.05 1isy n SER 595 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1isy s LEU 596 N -2.45 4.16 0.26 -3.43 1.43 -0.24 -5.10 118.68 113.31 1isy s LEU 596 Ca 0.30 0.52 -0.20 0.00 -1.03 0.00 0.00 54.13 53.72 1isy s LEU 596 Cb 0.19 -3.31 0.02 0.00 0.03 0.00 0.00 46.19 43.13 1isy s LEU 596 CO 0.41 -0.11 0.66 -0.94 0.23 0.00 0.00 176.35 176.61 1isy s SER 597 N -3.20 -0.25 0.96 2.29 1.04 -1.26 -4.85 113.70 108.44 1isy s SER 597 Ca 0.40 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 56.21 1isy s SER 597 Cb -0.11 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1isy s SER 597 CO 0.30 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.85 1isy n GLY 598 N -0.44 1.16 0.23 7.32 0.00 -1.26 -2.86 105.19 109.34 1isy n GLY 598 Ca -0.05 -0.60 0.06 0.00 0.00 0.00 0.00 46.02 45.44 1isy n GLY 598 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1isy h SER 599 N 9.05 0.00 -0.59 1.61 4.64 -1.96 -1.39 113.55 124.90 1isy h SER 599 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1isy h SER 599 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1isy h SER 599 CO 0.00 0.16 -0.03 0.74 -0.87 0.00 0.00 176.83 176.83 1isy h THR 600 N 0.00 1.27 -0.32 2.95 2.02 -1.99 -1.09 112.91 115.74 1isy h THR 600 Ca -0.00 -1.20 -0.07 0.00 0.77 0.00 0.00 66.41 65.91 1isy h THR 600 Cb 0.30 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1isy h THR 600 CO 0.02 0.43 -0.09 0.25 0.37 0.00 0.00 175.52 176.50 1isy h LEU 601 N 0.97 0.63 -0.66 2.58 6.46 -1.27 -1.99 115.31 122.03 1isy h LEU 601 Ca 0.16 -0.37 0.06 0.00 -0.12 0.00 0.00 57.88 57.61 1isy h LEU 601 Cb 0.60 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 40.31 1isy h LEU 601 CO 0.04 0.86 0.37 -0.09 -0.62 0.00 0.00 178.44 178.99 1isy h ARG 602 N 0.40 0.67 -0.16 1.25 9.65 -1.00 0.15 114.38 125.35 1isy h ARG 602 Ca 0.08 -0.04 -0.15 0.00 -1.10 0.00 0.00 59.98 58.76 1isy h ARG 602 Cb 0.59 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.01 1isy h ARG 602 CO 0.03 0.44 -0.55 0.37 2.80 0.00 0.00 179.97 183.06 1isy h GLN 603 N 0.69 0.47 -0.62 0.20 5.75 -1.16 -2.11 115.11 118.33 1isy h GLN 603 Ca 0.29 -0.30 -0.06 0.00 -0.15 0.00 0.00 58.65 58.44 1isy h GLN 603 Cb 0.17 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 1isy h GLN 603 CO -0.17 0.90 0.16 0.00 -2.65 0.00 0.00 178.83 177.07 1isy h ALA 604 N 1.04 1.11 -0.47 3.38 0.00 -0.55 0.27 119.26 124.05 1isy h ALA 604 Ca 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1isy h ALA 604 Cb 1.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1isy h ALA 604 CO 0.10 0.60 0.16 1.98 0.00 0.00 0.00 179.25 182.09 1isy h MET 605 N 0.93 0.72 -0.18 0.00 1.85 -0.52 -0.81 114.93 116.93 1isy h MET 605 Ca 0.20 -0.15 -0.02 0.00 -0.61 0.00 0.00 59.70 59.13 1isy h MET 605 Cb 0.31 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 32.23 1isy h MET 605 CO -0.00 0.68 0.05 0.82 -0.40 0.00 0.00 176.91 178.06 1isy h ILE 606 N 0.62 1.19 -0.52 1.77 2.04 -0.79 -2.33 117.51 119.51 1isy h ILE 606 Ca 0.15 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 1isy h ILE 606 Cb 0.25 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 1isy h ILE 606 CO -0.01 0.19 0.30 0.44 0.00 0.00 0.00 178.15 179.07 1isy h ASP 607 N 0.11 0.61 -0.28 1.72 3.32 -0.33 -1.81 116.42 119.76 1isy h ASP 607 Ca 0.06 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 1isy h ASP 607 Cb 0.24 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1isy h ASP 607 CO -0.00 0.48 -0.12 -0.74 -1.72 0.00 0.00 179.24 177.14 1isy h HIS 608 N 0.71 0.66 -0.13 4.55 2.76 -0.95 -1.06 115.15 121.69 1isy h HIS 608 Ca 0.19 -0.16 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1isy h HIS 608 Cb -0.02 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.78 1isy h HIS 608 CO 0.00 0.81 0.09 0.82 -1.30 0.00 0.00 177.93 178.34 1isy h ILE 609 N 0.32 1.04 -0.13 6.26 2.04 -1.12 -1.49 117.51 124.43 1isy h ILE 609 Ca 0.07 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1isy h ILE 609 Cb 0.62 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1isy h ILE 609 CO 0.04 0.04 -0.01 0.78 0.00 0.00 0.00 178.15 179.00 1isy h ASN 610 N 0.17 -0.07 0.08 1.72 2.35 -1.30 -1.03 115.58 117.50 1isy h ASN 610 Ca 0.05 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1isy h ASN 610 Cb -0.01 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1isy h ASN 610 CO -0.01 -0.02 -0.08 1.23 -1.65 0.00 0.00 177.43 176.91 1isy h GLY 611 N 0.03 -0.16 0.81 2.83 0.00 -0.98 0.10 103.07 105.70 1isy h GLY 611 Ca 0.06 0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 1isy h GLY 611 CO -0.12 -0.08 -0.09 -2.08 0.00 0.00 0.00 176.54 174.18 1isy h VAL 612 N -0.17 1.30 -0.18 4.60 2.07 -1.26 -2.38 116.25 120.22 1isy h VAL 612 Ca 0.00 -1.13 -0.10 0.00 0.82 0.00 0.00 66.70 66.29 1isy h VAL 612 Cb 0.17 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1isy h VAL 612 CO -0.02 0.34 -0.32 0.24 0.02 0.00 0.00 177.57 177.83 1isy h MET 613 N 0.12 0.37 -0.67 1.57 2.07 -1.21 -2.44 114.93 114.75 1isy h MET 613 Ca 0.05 -0.15 -0.01 0.00 -2.07 0.00 0.00 59.70 57.52 1isy h MET 613 Cb 0.57 -0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 30.25 1isy h MET 613 CO 0.03 0.65 0.39 0.78 1.07 0.00 0.00 176.91 179.83 1isy h GLY 614 N 1.08 0.98 1.02 8.32 0.00 -0.73 0.23 103.07 113.96 1isy h GLY 614 Ca 0.04 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 1isy h GLY 614 CO 0.06 0.40 0.36 0.84 0.00 0.00 0.00 176.54 178.20 1isy h HIS 615 N 0.91 1.07 -0.65 5.60 6.17 -1.05 -3.01 115.15 124.19 1isy h HIS 615 Ca 0.24 -0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.27 1isy h HIS 615 Cb -0.01 -0.33 0.00 0.00 2.52 0.00 0.00 27.41 29.59 1isy h HIS 615 CO -0.01 0.79 0.00 0.66 0.71 0.00 0.00 177.93 180.08 1isy n TYR 616 N -4.40 1.53 -1.67 5.26 4.01 -0.95 -5.01 117.16 115.93 1isy n TYR 616 Ca 0.06 -0.60 -0.57 0.00 -0.16 0.00 0.00 57.90 56.64 1isy n TYR 616 Cb 0.13 -0.26 -0.07 0.00 -0.31 0.00 0.00 39.34 38.83 1isy n TYR 616 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1isy n LYS 617 N 1.12 1.03 -0.93 -0.72 4.81 0.76 -0.87 118.16 123.37 1isy n LYS 617 Ca 0.26 0.37 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 1isy n LYS 617 Cb 0.91 -2.03 0.00 0.00 0.02 0.00 0.00 35.03 33.93 1isy n LYS 617 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1isy n GLY 618 N 3.53 0.56 0.00 3.14 0.00 -1.26 -4.84 105.19 106.32 1isy n GLY 618 Ca 0.24 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.31 1isy n GLY 618 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1isy n LYS 619 N -1.96 3.29 -4.13 1.61 5.02 -0.04 -4.98 118.16 116.97 1isy n LYS 619 Ca 0.00 -0.01 -0.35 0.00 -2.02 0.00 0.00 58.31 55.93 1isy n LYS 619 Cb 0.06 -1.01 -0.12 0.00 -0.02 0.00 0.00 35.03 33.95 1isy n LYS 619 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1isy s ILE 620 N -2.04 4.20 0.03 -0.18 -1.09 -1.23 -4.65 121.20 116.24 1isy s ILE 620 Ca 0.03 -0.24 -0.19 0.00 -2.23 0.00 0.00 60.65 58.02 1isy s ILE 620 Cb 0.08 -2.89 -0.17 0.00 -1.58 0.00 0.00 42.46 37.90 1isy s ILE 620 CO 0.42 0.45 1.26 0.00 -1.23 0.00 0.00 174.94 175.84 1isy h ALA 621 N 7.10 0.20 -3.56 9.38 0.00 -1.69 -3.39 119.26 127.31 1isy h ALA 621 Ca -0.35 -0.43 -0.26 0.00 0.00 0.00 0.00 54.91 53.86 1isy h ALA 621 Cb 1.18 -0.03 -0.26 0.00 0.00 0.00 0.00 17.79 18.69 1isy h ALA 621 CO 0.64 0.26 -0.73 -0.65 0.00 0.00 0.00 179.25 178.76 1isy s GLN 622 N -3.86 0.31 -0.08 0.00 -0.21 -1.22 -1.86 119.66 112.75 1isy s GLN 622 Ca -0.14 -0.32 0.04 0.00 0.02 0.00 0.00 55.36 54.96 1isy s GLN 622 Cb 0.05 -0.19 0.00 0.00 1.00 0.00 0.00 33.01 33.87 1isy s GLN 622 CO 0.79 0.04 -0.20 -1.58 -2.12 0.00 0.00 175.29 172.23 1isy s TRP 623 N -0.56 2.10 -0.92 0.91 0.52 -0.29 0.14 118.94 120.84 1isy s TRP 623 Ca -0.04 -0.78 -0.20 0.00 0.02 0.00 0.00 56.10 55.11 1isy s TRP 623 Cb -0.04 -1.43 0.12 0.00 -1.15 0.00 0.00 33.47 30.96 1isy s TRP 623 CO -0.00 -0.32 1.15 -0.51 0.02 0.00 0.00 176.95 177.30 1isy s ASP 624 N 0.33 6.57 0.06 2.95 1.01 0.16 -0.58 116.67 127.17 1isy s ASP 624 Ca -0.14 -1.88 -0.29 0.00 0.71 0.00 0.00 52.55 50.96 1isy s ASP 624 Cb -0.16 -2.42 -0.17 0.00 1.01 0.00 0.00 42.92 41.17 1isy s ASP 624 CO 0.06 -1.15 1.55 0.58 0.21 0.00 0.00 175.17 176.41 1isy h VAL 625 N 5.97 0.58 -4.05 -1.27 2.07 -1.55 -2.27 116.25 115.73 1isy h VAL 625 Ca 0.12 -0.16 -0.69 0.00 0.82 0.00 0.00 66.70 66.80 1isy h VAL 625 Cb 1.03 0.66 -0.30 0.00 -1.52 0.00 0.00 31.29 31.15 1isy h VAL 625 CO 1.16 0.03 -0.87 -0.69 0.02 0.00 0.00 177.57 177.22 1isy s VAL 626 N -5.72 2.22 -0.07 2.57 1.01 -1.25 -0.41 120.40 118.76 1isy s VAL 626 Ca -0.16 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 60.86 1isy s VAL 626 Cb 0.04 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 1isy s VAL 626 CO 0.61 0.57 -0.23 0.21 0.00 0.00 0.00 175.10 176.26 1isy s ASN 627 N -0.25 2.90 -1.21 3.32 2.47 -0.34 -1.42 114.94 120.41 1isy s ASN 627 Ca -0.01 -0.50 -0.23 0.00 0.42 0.00 0.00 52.86 52.54 1isy s ASN 627 Cb -0.13 -0.99 0.01 0.00 -1.45 0.00 0.00 41.25 38.69 1isy s ASN 627 CO 0.03 0.20 0.69 -0.62 -3.72 0.00 0.00 177.10 173.67 1isy n GLU 628 N 3.19 -1.04 0.00 0.43 1.02 0.51 -4.52 120.64 120.23 1isy n GLU 628 Ca -0.18 0.30 0.13 0.00 -0.02 0.00 0.00 57.16 57.38 1isy n GLU 628 Cb 0.52 -3.55 0.38 0.00 -0.02 0.00 0.00 31.44 28.78 1isy n GLU 628 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1isy n ALA 629 N -4.55 3.14 -2.79 0.62 0.00 -1.26 -4.84 120.51 110.84 1isy n ALA 629 Ca -0.13 -0.35 -0.28 0.00 0.00 0.00 0.00 53.44 52.68 1isy n ALA 629 Cb 0.59 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.81 1isy n ALA 629 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1isy s PHE 630 N -2.68 3.16 0.60 0.00 0.40 -1.26 -0.44 117.98 117.77 1isy s PHE 630 Ca 0.20 0.02 -0.14 0.00 -0.60 0.00 0.00 56.93 56.42 1isy s PHE 630 Cb 0.19 -1.56 -0.04 0.00 0.51 0.00 0.00 43.02 42.12 1isy s PHE 630 CO 0.57 0.52 1.03 0.45 0.70 0.00 0.00 175.22 178.49 1isy s SER 631 N -2.78 6.01 0.00 1.36 0.15 0.23 -4.44 113.70 114.23 1isy s SER 631 Ca 0.30 1.61 0.16 0.00 0.70 0.00 0.00 55.95 58.72 1isy s SER 631 Cb -0.11 -2.50 0.23 0.00 -1.71 0.00 0.00 66.02 61.93 1isy s SER 631 CO 0.23 -1.01 1.12 0.47 1.20 0.00 0.00 173.24 175.25 1isy n ASP 632 N -2.35 2.66 0.26 5.45 8.00 -1.26 -4.54 116.55 124.76 1isy n ASP 632 Ca 0.07 -1.78 0.16 0.00 0.71 0.00 0.00 54.79 53.96 1isy n ASP 632 Cb 0.54 -0.11 0.89 0.00 -0.02 0.00 0.00 41.12 42.42 1isy n ASP 632 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 1isy h ASP 633 N 3.02 0.00 0.00 -2.24 3.04 -1.95 -3.45 116.42 114.83 1isy h ASP 633 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1isy h ASP 633 Cb 0.72 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.01 1isy h ASP 633 CO 0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 1isy n GLY 634 N -1.34 1.59 0.41 7.15 0.00 -1.26 -4.98 105.19 106.75 1isy n GLY 634 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1isy n GLY 634 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1isy n SER 635 N 0.00 1.72 -1.10 1.61 3.41 -1.26 -4.51 113.62 113.49 1isy n SER 635 Ca 0.00 -1.33 -0.11 0.00 -0.26 0.00 0.00 58.87 57.18 1isy n SER 635 Cb 0.00 0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 64.35 1isy n SER 635 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1isy n GLY 636 N 1.41 0.27 2.53 5.00 0.00 -1.26 -4.76 105.19 108.37 1isy n GLY 636 Ca 0.10 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 1isy n GLY 636 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1isy n GLY 637 N -1.19 1.31 3.77 -0.02 0.00 -1.26 -4.28 105.19 103.52 1isy n GLY 637 Ca -0.12 -2.10 -0.36 0.00 0.00 0.00 0.00 46.02 43.44 1isy n GLY 637 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1isy s ARG 638 N -3.93 3.63 0.09 1.61 1.81 -1.26 -0.60 118.95 120.30 1isy s ARG 638 Ca 0.41 1.69 -0.30 0.00 -1.72 0.00 0.00 55.73 55.81 1isy s ARG 638 Cb -0.03 -2.25 -0.06 0.00 -0.45 0.00 0.00 34.95 32.16 1isy s ARG 638 CO 0.27 -0.64 1.08 0.50 -0.68 0.00 0.00 175.30 175.83 1isy s ARG 639 N -2.93 4.55 -0.57 3.54 3.52 0.42 -4.25 118.95 123.25 1isy s ARG 639 Ca 0.67 1.63 -0.28 0.00 -0.13 0.00 0.00 55.73 57.61 1isy s ARG 639 Cb -0.26 -3.35 0.03 0.00 -1.56 0.00 0.00 34.95 29.80 1isy s ARG 639 CO 0.31 -0.03 1.22 0.34 -0.81 0.00 0.00 175.30 176.32 1isy s ASP 640 N 0.51 6.43 0.32 -2.12 2.15 -1.26 -4.62 116.67 118.08 1isy s ASP 640 Ca 0.52 0.18 0.04 0.00 0.43 0.00 0.00 52.55 53.72 1isy s ASP 640 Cb -0.27 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 39.77 1isy s ASP 640 CO 0.31 -1.49 0.19 -0.94 -0.17 0.00 0.00 175.17 173.07 1isy s SER 641 N 3.10 1.71 0.39 -0.34 1.04 -1.26 -4.99 113.70 113.35 1isy s SER 641 Ca 0.45 -1.63 0.10 0.00 0.48 0.00 0.00 55.95 55.35 1isy s SER 641 Cb -0.08 0.46 0.79 0.00 0.10 0.00 0.00 66.02 67.29 1isy s SER 641 CO 0.26 -0.95 1.92 -0.55 0.98 0.00 0.00 173.24 174.90 1isy h ASN 642 N 2.14 0.21 -0.25 7.02 -1.07 -1.93 -1.45 115.58 120.25 1isy h ASN 642 Ca -0.31 -0.04 -0.04 0.00 0.07 0.00 0.00 56.30 55.97 1isy h ASN 642 Cb 1.25 -0.06 -0.01 0.00 -2.07 0.00 0.00 38.32 37.43 1isy h ASN 642 CO 0.48 0.38 -0.00 -0.07 0.07 0.00 0.00 177.43 178.29 1isy h LEU 643 N 0.22 0.44 -1.29 6.14 3.38 -1.95 -2.92 115.31 119.32 1isy h LEU 643 Ca 0.04 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 1isy h LEU 643 Cb 0.38 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1isy h LEU 643 CO 0.02 0.64 -0.16 -0.61 0.09 0.00 0.00 178.44 178.42 1isy h GLN 644 N 0.22 0.28 0.00 1.13 5.75 -1.71 -2.44 115.11 118.34 1isy h GLN 644 Ca 0.07 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1isy h GLN 644 Cb 0.42 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.93 1isy h GLN 644 CO 0.01 0.44 0.00 0.54 -2.65 0.00 0.00 178.83 177.18 1isy n ARG 645 N -4.23 0.02 0.12 1.69 1.74 -0.59 -2.07 116.66 113.33 1isy n ARG 645 Ca -0.01 0.15 0.13 0.00 -0.77 0.00 0.00 57.85 57.35 1isy n ARG 645 Cb 0.30 -1.50 0.41 0.00 -1.02 0.00 0.00 32.46 30.65 1isy n ARG 645 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1isy h THR 646 N 0.00 0.00 0.00 0.55 1.35 -1.30 -3.43 112.91 110.08 1isy h THR 646 Ca 0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1isy h THR 646 Cb 0.34 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1isy h THR 646 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1isy n GLY 647 N 1.09 4.85 0.33 5.82 0.00 -0.88 -4.88 105.19 111.51 1isy n GLY 647 Ca 0.05 -1.05 0.17 0.00 0.00 0.00 0.00 46.02 45.19 1isy n GLY 647 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1isy h ASN 648 N 0.00 0.00 -0.00 1.61 -1.24 -1.91 -1.93 115.58 112.11 1isy h ASN 648 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1isy h ASN 648 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1isy h ASN 648 CO 0.00 0.00 0.00 -0.90 -1.29 0.00 0.00 177.43 175.24 1isy n ASP 649 N -3.64 0.03 -0.16 1.15 5.75 -1.26 -4.14 116.55 114.28 1isy n ASP 649 Ca -0.01 -1.46 0.02 0.00 -0.01 0.00 0.00 54.79 53.34 1isy n ASP 649 Cb 0.22 -0.00 0.30 0.00 -1.03 0.00 0.00 41.12 40.61 1isy n ASP 649 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 1isy h TRP 650 N 0.03 0.82 -0.21 2.11 5.08 -1.66 -1.51 115.95 120.61 1isy h TRP 650 Ca 0.00 0.02 -0.03 0.00 1.08 0.00 0.00 58.89 59.96 1isy h TRP 650 Cb 0.01 -0.28 -0.01 0.00 -3.00 0.00 0.00 29.16 25.88 1isy h TRP 650 CO 0.00 0.51 -0.00 0.82 -1.28 0.00 0.00 178.44 178.49 1isy h ILE 651 N 0.88 1.25 -0.62 0.12 2.04 -1.85 -0.68 117.51 118.65 1isy h ILE 651 Ca 0.24 -0.88 0.02 0.00 1.00 0.00 0.00 64.86 65.25 1isy h ILE 651 Cb -0.08 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1isy h ILE 651 CO -0.06 0.27 0.39 -0.08 0.00 0.00 0.00 178.15 178.67 1isy h GLU 652 N 0.14 0.74 -0.62 2.37 4.81 -1.77 -1.73 114.58 118.53 1isy h GLU 652 Ca 0.06 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1isy h GLU 652 Cb 0.40 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 1isy h GLU 652 CO 0.01 0.49 0.36 0.28 -0.73 0.00 0.00 179.01 179.43 1isy h VAL 653 N 0.77 1.19 -0.54 0.32 2.07 -1.12 -0.51 116.25 118.42 1isy h VAL 653 Ca 0.24 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.35 1isy h VAL 653 Cb -0.00 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 1isy h VAL 653 CO -0.09 0.19 0.34 0.00 0.02 0.00 0.00 177.57 178.03 1isy h ALA 654 N 1.18 0.70 -0.44 1.67 0.00 -0.54 0.39 119.26 122.23 1isy h ALA 654 Ca 0.22 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1isy h ALA 654 Cb -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1isy h ALA 654 CO -0.04 0.07 -0.03 0.74 0.00 0.00 0.00 179.25 179.99 1isy h PHE 655 N 0.68 0.88 -0.40 0.00 0.04 -0.94 0.10 116.94 117.30 1isy h PHE 655 Ca 0.21 -0.16 -0.06 0.00 2.80 0.00 0.00 57.97 60.76 1isy h PHE 655 Cb -0.01 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 37.90 1isy h PHE 655 CO -0.05 0.87 -0.01 0.00 -0.60 0.00 0.00 178.31 178.52 1isy h ARG 656 N 0.63 0.64 -0.37 1.51 3.08 -0.83 -1.20 114.38 117.84 1isy h ARG 656 Ca 0.12 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 1isy h ARG 656 Cb 0.54 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1isy h ARG 656 CO 0.03 0.66 -0.07 1.15 -1.07 0.00 0.00 179.97 180.67 1isy h THR 657 N 0.60 1.27 -0.22 2.04 2.02 -0.64 -2.99 112.91 115.00 1isy h THR 657 Ca 0.12 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.17 1isy h THR 657 Cb 0.39 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1isy h THR 657 CO 0.01 0.37 0.10 0.00 0.37 0.00 0.00 175.52 176.37 1isy h ALA 658 N 0.84 0.28 -0.69 6.16 0.00 -0.57 -1.25 119.26 124.03 1isy h ALA 658 Ca 0.10 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1isy h ALA 658 Cb 0.57 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 1isy h ALA 658 CO 0.03 -0.14 0.33 -0.09 0.00 0.00 0.00 179.25 179.38 1isy h ARG 659 N 0.21 0.54 -0.36 0.00 9.65 -1.25 -1.08 114.38 122.10 1isy h ARG 659 Ca 0.07 -0.03 -0.11 0.00 -1.10 0.00 0.00 59.98 58.81 1isy h ARG 659 Cb 0.15 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 1isy h ARG 659 CO -0.01 0.36 -0.22 0.00 2.80 0.00 0.00 179.97 182.90 1isy h ALA 660 N 1.42 0.93 -0.40 2.80 0.00 -1.36 -2.16 119.26 120.50 1isy h ALA 660 Ca 0.34 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1isy h ALA 660 Cb 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1isy h ALA 660 CO -0.27 0.61 -0.08 0.00 0.00 0.00 0.00 179.25 179.51 1isy h ALA 661 N 1.13 0.54 -1.78 0.00 0.00 -0.31 -3.41 119.26 115.44 1isy h ALA 661 Ca 0.09 -0.31 -0.32 0.00 0.00 0.00 0.00 54.91 54.37 1isy h ALA 661 Cb 0.71 -0.14 -0.29 0.00 0.00 0.00 0.00 17.79 18.07 1isy h ALA 661 CO 0.05 0.39 -0.65 0.34 0.00 0.00 0.00 179.25 179.39 1isy s ASP 662 N -6.34 0.66 0.00 0.00 2.15 -0.50 -4.72 116.67 107.92 1isy s ASP 662 Ca -0.13 -1.50 0.09 0.00 0.43 0.00 0.00 52.55 51.44 1isy s ASP 662 Cb 0.10 0.80 0.48 0.00 -0.30 0.00 0.00 42.92 44.00 1isy s ASP 662 CO 0.81 -0.23 1.15 -0.81 -0.17 0.00 0.00 175.17 175.92 1isy n PRO 663 N 4.19 0.16 0.12 4.34 -0.04 -0.82 -2.46 135.00 140.49 1isy n PRO 663 Ca 0.12 0.17 0.09 0.00 -0.04 0.00 0.00 63.50 63.84 1isy n PRO 663 Cb 0.47 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.46 1isy n PRO 663 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1isy h ALA 664 N 2.46 0.64 -2.60 0.55 0.00 -1.95 -3.47 119.26 114.90 1isy h ALA 664 Ca 0.00 -0.19 -0.52 0.00 0.00 0.00 0.00 54.91 54.20 1isy h ALA 664 Cb 0.07 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1isy h ALA 664 CO 0.00 0.21 0.15 0.00 0.00 0.00 0.00 179.25 179.61 1isy s ALA 665 N -3.22 3.42 0.04 0.00 0.00 -1.03 -4.95 121.76 116.02 1isy s ALA 665 Ca 0.01 0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.93 1isy s ALA 665 Cb 0.08 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 1isy s ALA 665 CO 0.77 0.30 1.04 0.15 0.00 0.00 0.00 175.76 178.02 1isy s LYS 666 N -1.64 4.55 -0.34 0.00 1.02 -0.78 -4.93 119.74 117.62 1isy s LYS 666 Ca 0.40 1.53 -0.14 0.00 0.02 0.00 0.00 55.97 57.78 1isy s LYS 666 Cb -0.19 -3.41 -0.01 0.00 -0.52 0.00 0.00 37.83 33.69 1isy s LYS 666 CO 0.23 -0.05 0.29 -0.51 -0.92 0.00 0.00 175.35 174.39 1isy s LEU 667 N 0.79 4.52 0.08 3.17 1.43 -1.26 -1.13 118.68 126.27 1isy s LEU 667 Ca 0.53 -0.37 0.06 0.00 -1.03 0.00 0.00 54.13 53.31 1isy s LEU 667 Cb -0.24 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 1isy s LEU 667 CO 0.29 -0.28 -0.06 0.00 0.23 0.00 0.00 176.35 176.53 1isy s TYR 669 N -1.21 3.30 -0.04 0.00 5.04 -0.44 -1.43 117.35 122.58 1isy s TYR 669 Ca 0.22 0.15 0.07 0.00 -2.44 0.00 0.00 57.07 55.07 1isy s TYR 669 Cb -0.11 -2.13 -0.02 0.00 0.35 0.00 0.00 41.96 40.05 1isy s TYR 669 CO 0.14 0.17 -0.24 1.21 -1.34 0.00 0.00 175.55 175.49 1isy s ASN 670 N 0.49 3.23 0.20 4.32 2.47 -0.51 0.54 114.94 125.68 1isy s ASN 670 Ca 0.05 -0.43 -0.23 0.00 0.42 0.00 0.00 52.86 52.66 1isy s ASN 670 Cb -0.12 -0.56 0.05 0.00 -1.45 0.00 0.00 41.25 39.17 1isy s ASN 670 CO 0.00 0.30 0.84 -0.62 -3.72 0.00 0.00 177.10 173.90 1isy s ASP 671 N -0.51 -0.24 0.38 -4.21 -1.08 -0.92 -0.36 116.67 109.73 1isy s ASP 671 Ca 0.07 -0.45 0.08 0.00 -0.52 0.00 0.00 52.55 51.72 1isy s ASP 671 Cb -0.11 0.59 -0.07 0.00 -1.46 0.00 0.00 42.92 41.88 1isy s ASP 671 CO 0.00 -1.08 0.03 -0.72 0.52 0.00 0.00 175.17 173.92 1isy s TYR 672 N -3.57 2.52 -1.48 -5.34 1.13 -1.26 -1.31 117.35 108.05 1isy s TYR 672 Ca 0.11 -0.57 -0.07 0.00 -1.41 0.00 0.00 57.07 55.13 1isy s TYR 672 Cb -0.03 -1.68 0.03 0.00 -1.10 0.00 0.00 41.96 39.17 1isy s TYR 672 CO 0.03 0.42 0.71 0.09 -2.51 0.00 0.00 175.55 174.29 1isy n ASN 673 N -0.99 -5.60 -0.59 -0.18 5.03 -1.26 -4.85 115.26 106.81 1isy n ASN 673 Ca -0.04 -0.39 0.06 0.00 0.87 0.00 0.00 54.58 55.08 1isy n ASN 673 Cb 0.65 -4.52 0.11 0.00 -1.02 0.00 0.00 39.78 35.01 1isy n ASN 673 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 1isy n ILE 674 N -4.50 1.27 -0.05 2.41 -5.35 -1.26 -4.17 119.36 107.71 1isy n ILE 674 Ca -0.06 -1.91 -0.16 0.00 -0.27 0.00 0.00 62.75 60.35 1isy n ILE 674 Cb 0.59 0.14 -0.14 0.00 -1.74 0.00 0.00 39.64 38.49 1isy n ILE 674 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1isy n GLU 675 N -0.70 0.70 -2.78 6.28 4.71 -1.26 -4.76 120.64 122.83 1isy n GLU 675 Ca 0.12 0.21 -0.42 0.00 -0.01 0.00 0.00 57.16 57.05 1isy n GLU 675 Cb 0.77 -1.66 -0.03 0.00 -1.01 0.00 0.00 31.44 29.51 1isy n GLU 675 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 1isy s ASN 676 N -6.48 6.97 0.42 1.62 3.84 -1.26 -4.09 114.94 115.96 1isy s ASN 676 Ca -0.19 1.21 0.10 0.00 0.21 0.00 0.00 52.86 54.19 1isy s ASN 676 Cb 0.07 -2.49 0.92 0.00 -0.55 0.00 0.00 41.25 39.21 1isy s ASN 676 CO 0.75 -0.57 2.03 -0.25 -2.79 0.00 0.00 177.10 176.27 1isy h TRP 677 N 7.53 0.49 0.00 0.43 2.91 -1.89 -2.27 115.95 123.15 1isy h TRP 677 Ca -0.22 0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.81 1isy h TRP 677 Cb 1.08 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 29.57 1isy h TRP 677 CO 0.75 0.28 0.00 0.25 -1.03 0.00 0.00 178.44 178.69 1isy n THR 678 N -4.48 0.92 -2.49 2.65 -2.24 -1.26 -4.59 114.28 102.80 1isy n THR 678 Ca 0.06 0.26 -0.41 0.00 -2.27 0.00 0.00 64.05 61.69 1isy n THR 678 Cb 0.18 -1.14 -0.04 0.00 -2.10 0.00 0.00 70.33 67.23 1isy n THR 678 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1isy s TRP 679 N -3.22 3.57 0.26 4.78 0.51 -0.86 -4.93 118.94 119.06 1isy s TRP 679 Ca 0.05 1.58 -0.05 0.00 -2.12 0.00 0.00 56.10 55.56 1isy s TRP 679 Cb 0.09 -3.30 0.32 0.00 -0.81 0.00 0.00 33.47 29.77 1isy s TRP 679 CO 0.33 -0.69 1.93 0.00 -0.51 0.00 0.00 176.95 178.01 1isy h ALA 680 N 5.05 1.32 -0.40 0.98 0.00 -1.86 -2.46 119.26 121.90 1isy h ALA 680 Ca -0.44 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.45 1isy h ALA 680 Cb 1.21 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1isy h ALA 680 CO 0.72 0.61 0.16 -0.22 0.00 0.00 0.00 179.25 180.52 1isy h LYS 681 N 1.29 0.32 -0.42 0.00 3.64 -1.85 0.36 116.57 119.91 1isy h LYS 681 Ca 0.37 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.79 1isy h LYS 681 Cb -0.10 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.59 1isy h LYS 681 CO -0.09 0.21 0.09 1.15 -2.27 0.00 0.00 179.45 178.54 1isy h THR 682 N 0.33 0.79 -0.11 1.00 2.02 -1.61 -1.22 112.91 114.11 1isy h THR 682 Ca 0.18 -0.08 -0.10 0.00 0.77 0.00 0.00 66.41 67.18 1isy h THR 682 Cb 0.14 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1isy h THR 682 CO -0.17 0.04 -0.39 1.56 0.37 0.00 0.00 175.52 176.93 1isy h GLN 683 N 0.23 0.23 -0.60 6.66 4.20 -1.03 -1.06 115.11 123.74 1isy h GLN 683 Ca 0.20 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.73 1isy h GLN 683 Cb 0.24 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1isy h GLN 683 CO -0.26 0.60 0.06 0.78 -0.67 0.00 0.00 178.83 179.34 1isy h GLY 684 N 1.19 1.09 1.14 3.46 0.00 0.35 -1.22 103.07 109.09 1isy h GLY 684 Ca 0.02 -0.76 -0.11 0.00 0.00 0.00 0.00 47.33 46.48 1isy h GLY 684 CO 0.06 0.70 -0.09 -2.08 0.00 0.00 0.00 176.54 175.13 1isy h VAL 685 N 0.91 1.27 -0.11 4.60 2.07 -0.93 -2.34 116.25 121.72 1isy h VAL 685 Ca 0.18 -1.24 0.01 0.00 0.82 0.00 0.00 66.70 66.47 1isy h VAL 685 Cb 0.48 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1isy h VAL 685 CO 0.02 0.44 0.02 0.22 0.02 0.00 0.00 177.57 178.29 1isy h TYR 686 N 0.90 0.03 -0.74 1.57 3.20 -0.90 -1.39 116.97 119.64 1isy h TYR 686 Ca 0.14 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.06 1isy h TYR 686 Cb 0.65 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.88 1isy h TYR 686 CO 0.04 0.01 0.49 -0.91 -1.64 0.00 0.00 178.16 176.15 1isy h ASN 687 N 0.06 0.75 -0.06 -2.11 2.35 -1.07 -0.34 115.58 115.16 1isy h ASN 687 Ca 0.05 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1isy h ASN 687 Cb 0.04 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 1isy h ASN 687 CO -0.07 0.50 -0.03 -0.03 -1.65 0.00 0.00 177.43 176.15 1isy h MET 688 N 0.86 0.13 -0.82 0.81 4.05 -0.91 -1.50 114.93 117.55 1isy h MET 688 Ca 0.30 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.64 1isy h MET 688 Cb 0.12 -0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.88 1isy h MET 688 CO -0.09 0.52 0.42 0.28 0.23 0.00 0.00 176.91 178.26 1isy h VAL 689 N -0.26 1.25 -0.46 -5.77 2.07 -0.98 0.11 116.25 112.20 1isy h VAL 689 Ca 0.01 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1isy h VAL 689 Cb 0.48 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1isy h VAL 689 CO 0.01 0.29 0.27 -0.09 0.02 0.00 0.00 177.57 178.07 1isy h ARG 690 N 1.16 0.63 -0.45 1.57 2.43 -1.01 -0.83 114.38 117.88 1isy h ARG 690 Ca 0.29 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.41 1isy h ARG 690 Cb 0.08 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 1isy h ARG 690 CO -0.04 0.47 0.27 0.22 -1.51 0.00 0.00 179.97 179.38 1isy h ASP 691 N 0.61 0.45 -0.16 -3.80 3.58 -0.59 -0.70 116.42 115.81 1isy h ASP 691 Ca 0.16 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.65 1isy h ASP 691 Cb 0.01 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 1isy h ASP 691 CO -0.03 0.32 -0.02 -0.26 -2.88 0.00 0.00 179.24 176.37 1isy h PHE 692 N 0.55 -0.05 -0.61 0.28 -1.00 -0.52 -0.70 116.94 114.90 1isy h PHE 692 Ca 0.18 0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.99 1isy h PHE 692 Cb -0.00 0.05 -0.04 0.00 3.61 0.00 0.00 35.95 39.57 1isy h PHE 692 CO -0.07 -0.05 0.38 0.87 -1.61 0.00 0.00 178.31 177.84 1isy h LYS 693 N 0.02 0.74 0.00 1.51 1.79 -0.82 0.24 116.57 120.06 1isy h LYS 693 Ca 0.08 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.46 1isy h LYS 693 Cb 0.11 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.58 1isy h LYS 693 CO -0.15 0.49 -0.19 1.96 -1.08 0.00 0.00 179.45 180.48 1isy h GLN 694 N 0.76 0.00 -0.56 3.15 4.20 -0.67 -2.81 115.11 119.19 1isy h GLN 694 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1isy h GLN 694 Cb -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1isy h GLN 694 CO -0.08 0.19 0.00 0.54 -0.67 0.00 0.00 178.83 178.81 1isy n ARG 695 N -4.29 2.63 -1.20 1.46 1.74 -0.31 -4.96 116.66 111.73 1isy n ARG 695 Ca -0.02 -2.42 -0.07 0.00 -0.77 0.00 0.00 57.85 54.56 1isy n ARG 695 Cb 0.25 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.17 1isy n ARG 695 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1isy n GLY 696 N 1.38 0.92 3.69 -0.13 0.00 -0.28 -4.98 105.19 105.80 1isy n GLY 696 Ca 0.20 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 1isy n GLY 696 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1isy s VAL 697 N -2.24 3.94 -0.52 1.61 1.01 0.70 -4.93 120.40 119.97 1isy s VAL 697 Ca 0.00 1.31 -0.27 0.00 0.00 0.00 0.00 61.98 63.02 1isy s VAL 697 Cb 0.00 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1isy s VAL 697 CO 0.00 0.01 1.85 -2.16 0.00 0.00 0.00 175.10 174.80 1isy s PRO 698 N 2.17 2.82 -0.03 2.72 0.04 -1.26 -4.40 135.00 137.07 1isy s PRO 698 Ca 0.60 0.88 -0.01 0.00 0.04 0.00 0.00 61.00 62.51 1isy s PRO 698 Cb -0.29 -4.33 0.03 0.00 0.04 0.00 0.00 34.50 29.95 1isy s PRO 698 CO 0.25 -2.48 0.06 -1.50 0.04 0.00 0.00 177.00 173.36 1isy s ILE 699 N 8.52 -0.08 -0.03 0.56 2.07 -1.26 -4.66 121.20 126.31 1isy s ILE 699 Ca 0.72 0.27 0.14 0.00 -1.41 0.00 0.00 60.65 60.37 1isy s ILE 699 Cb -0.15 -0.12 -0.22 0.00 0.13 0.00 0.00 42.46 42.10 1isy s ILE 699 CO 0.25 0.11 0.31 0.47 -1.91 0.00 0.00 174.94 174.17 1isy n ASP 700 N 4.49 1.77 -3.73 4.50 8.00 0.52 -4.92 116.55 127.17 1isy n ASP 700 Ca -0.21 -0.02 -0.10 0.00 0.71 0.00 0.00 54.79 55.17 1isy n ASP 700 Cb 0.50 1.62 -0.04 0.00 -0.02 0.00 0.00 41.12 43.18 1isy n ASP 700 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1isy s VAL 702 N -3.87 1.23 -0.23 0.00 1.01 -0.71 -1.32 120.40 116.51 1isy s VAL 702 Ca 0.09 -0.47 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 1isy s VAL 702 Cb -0.00 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1isy s VAL 702 CO -0.04 0.39 0.27 -0.83 0.00 0.00 0.00 175.10 174.89 1isy s GLY 703 N 1.17 2.01 -0.51 4.51 0.00 0.19 -2.03 107.32 112.65 1isy s GLY 703 Ca -0.04 -0.76 -0.15 0.00 0.00 0.00 0.00 44.72 43.77 1isy s GLY 703 CO -0.03 0.62 0.45 -1.36 0.00 0.00 0.00 173.10 172.78 1isy s PHE 704 N 1.28 3.27 0.29 1.90 0.40 0.60 -2.16 117.98 123.57 1isy s PHE 704 Ca 0.12 -1.27 0.05 0.00 -0.60 0.00 0.00 56.93 55.23 1isy s PHE 704 Cb -0.14 -3.58 0.76 0.00 0.51 0.00 0.00 43.02 40.56 1isy s PHE 704 CO 0.07 -0.96 1.69 1.96 0.70 0.00 0.00 175.22 178.68 1isy h GLN 705 N 8.80 0.36 -5.56 0.44 4.20 -1.48 -2.19 115.11 119.67 1isy h GLN 705 Ca -0.28 -0.02 -0.32 0.00 0.06 0.00 0.00 58.65 58.09 1isy h GLN 705 Cb 1.10 -0.08 0.17 0.00 0.30 0.00 0.00 27.48 28.97 1isy h GLN 705 CO 0.97 0.24 -0.76 0.43 -0.67 0.00 0.00 178.83 179.04 1isy n SER 706 N -5.07 -2.31 -4.40 1.46 7.64 -1.26 -1.18 113.62 108.50 1isy n SER 706 Ca 0.23 -0.61 -0.45 0.00 1.01 0.00 0.00 58.87 59.05 1isy n SER 706 Cb 0.69 -5.04 -0.03 0.00 -1.01 0.00 0.00 64.21 58.81 1isy n SER 706 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1isy s HIS 707 N -3.35 3.11 -0.11 1.43 3.76 -1.26 -2.82 115.29 116.04 1isy s HIS 707 Ca 0.03 -1.20 -0.13 0.00 -0.15 0.00 0.00 55.06 53.60 1isy s HIS 707 Cb -0.00 -4.12 -0.05 0.00 1.11 0.00 0.00 32.58 29.52 1isy s HIS 707 CO 0.72 -1.37 0.30 -0.06 -0.85 0.00 0.00 174.74 173.48 1isy s PHE 708 N 2.50 3.56 0.30 1.40 0.08 -0.45 -4.87 117.98 120.50 1isy s PHE 708 Ca 0.21 0.70 -0.17 0.00 0.12 0.00 0.00 56.93 57.79 1isy s PHE 708 Cb -0.15 -2.26 0.02 0.00 -0.57 0.00 0.00 43.02 40.06 1isy s PHE 708 CO -0.01 0.44 0.67 0.54 -0.10 0.00 0.00 175.22 176.76 1isy s ASN 709 N -0.21 -0.09 0.47 1.36 2.20 -1.11 -0.31 114.94 117.25 1isy s ASN 709 Ca 0.18 -0.86 0.31 0.00 -0.94 0.00 0.00 52.86 51.56 1isy s ASN 709 Cb -0.14 0.72 1.68 0.00 -2.00 0.00 0.00 41.25 41.51 1isy s ASN 709 CO 0.07 -1.38 1.94 0.77 -2.94 0.00 0.00 177.10 175.55 1isy h SER 710 N 2.06 0.00 0.64 3.54 4.64 -1.98 0.16 113.55 122.61 1isy h SER 710 Ca -0.24 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.81 1isy h SER 710 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1isy h SER 710 CO 0.31 0.00 -1.23 1.23 -0.87 0.00 0.00 176.83 176.27 1isy h GLY 711 N 0.00 0.31 -6.16 -0.77 0.00 -1.98 -3.38 103.07 91.08 1isy h GLY 711 Ca 0.00 -0.78 -0.57 0.00 0.00 0.00 0.00 47.33 45.98 1isy h GLY 711 CO 0.00 0.68 -1.05 -1.14 0.00 0.00 0.00 176.54 175.03 1isy n SER 712 N -3.53 -0.05 -4.75 0.19 3.41 -0.16 -5.13 113.62 103.58 1isy n SER 712 Ca -0.08 -2.57 -0.34 0.00 -0.26 0.00 0.00 58.87 55.62 1isy n SER 712 Cb 1.02 -0.60 0.06 0.00 -0.26 0.00 0.00 64.21 64.42 1isy n SER 712 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1isy s PRO 713 N -0.68 2.64 0.52 4.33 0.04 0.39 -2.77 135.00 139.48 1isy s PRO 713 Ca 0.34 1.54 -0.21 0.00 0.04 0.00 0.00 61.00 62.71 1isy s PRO 713 Cb 0.11 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.68 1isy s PRO 713 CO -0.15 -1.40 1.20 -0.47 0.04 0.00 0.00 177.00 176.22 1isy s TYR 714 N -2.15 2.63 -0.01 0.56 5.04 -1.26 -4.92 117.35 117.24 1isy s TYR 714 Ca 0.70 1.51 -0.01 0.00 -2.44 0.00 0.00 57.07 56.83 1isy s TYR 714 Cb -0.24 -3.45 0.00 0.00 0.35 0.00 0.00 41.96 38.62 1isy s TYR 714 CO 0.41 -1.91 0.03 1.21 -1.34 0.00 0.00 175.55 173.95 1isy s ASN 715 N -1.43 -0.03 0.60 4.32 3.84 -1.26 -5.04 114.94 115.94 1isy s ASN 715 Ca 0.70 0.06 0.29 0.00 0.21 0.00 0.00 52.86 54.13 1isy s ASN 715 Cb -0.30 0.06 1.62 0.00 -0.55 0.00 0.00 41.25 42.08 1isy s ASN 715 CO 0.35 -0.01 2.02 0.77 -2.79 0.00 0.00 177.10 177.43 1isy h SER 716 N 6.13 0.00 0.13 -4.21 4.64 -1.98 -0.39 113.55 117.87 1isy h SER 716 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1isy h SER 716 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1isy h SER 716 CO 0.49 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.99 1isy n ASN 717 N -3.64 0.00 -0.22 4.97 0.23 -1.26 -2.25 115.26 113.09 1isy n ASN 717 Ca 0.03 0.06 0.10 0.00 -0.53 0.00 0.00 54.58 54.24 1isy n ASN 717 Cb 0.44 -0.22 0.39 0.00 -2.08 0.00 0.00 39.78 38.30 1isy n ASN 717 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1isy h PHE 718 N 0.00 0.75 -0.97 -2.53 3.57 -1.21 0.55 116.94 117.10 1isy h PHE 718 Ca 0.00 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1isy h PHE 718 Cb 0.07 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.52 1isy h PHE 718 CO 0.00 0.33 0.64 -0.09 -2.23 0.00 0.00 178.31 176.96 1isy h ARG 719 N 0.68 1.26 -0.27 1.11 2.43 -1.70 -1.06 114.38 116.82 1isy h ARG 719 Ca 0.38 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 59.34 1isy h ARG 719 Cb 0.54 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1isy h ARG 719 CO -0.15 0.83 -0.38 1.79 -1.51 0.00 0.00 179.97 180.55 1isy h THR 720 N 1.30 1.29 -0.05 0.20 1.35 -1.13 -1.16 112.91 114.70 1isy h THR 720 Ca 0.36 -1.55 0.02 0.00 -0.55 0.00 0.00 66.41 64.70 1isy h THR 720 Cb -0.12 1.50 -0.02 0.00 -1.73 0.00 0.00 68.15 67.77 1isy h THR 720 CO -0.08 0.49 -0.08 0.74 -0.25 0.00 0.00 175.52 176.34 1isy h THR 721 N 0.52 0.78 -0.54 6.82 2.02 -0.57 0.50 112.91 122.44 1isy h THR 721 Ca 0.05 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.24 1isy h THR 721 Cb 0.90 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 1isy h THR 721 CO 0.08 0.00 0.35 -0.07 0.37 0.00 0.00 175.52 176.25 1isy h LEU 722 N -0.12 0.60 -0.71 2.58 3.38 -1.07 -1.11 115.31 118.86 1isy h LEU 722 Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1isy h LEU 722 Cb 0.18 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1isy h LEU 722 CO -0.12 0.43 0.39 1.56 0.09 0.00 0.00 178.44 180.79 1isy h GLN 723 N 0.71 0.98 -0.26 1.13 4.20 -0.68 -0.29 115.11 120.90 1isy h GLN 723 Ca 0.20 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1isy h GLN 723 Cb -0.05 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.52 1isy h GLN 723 CO -0.06 0.73 0.17 -0.91 -0.67 0.00 0.00 178.83 178.09 1isy h ASN 724 N 0.97 0.30 -0.33 1.46 2.35 0.67 -1.42 115.58 119.59 1isy h ASN 724 Ca 0.25 -0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.83 1isy h ASN 724 Cb 0.03 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1isy h ASN 724 CO -0.04 0.23 -0.36 -0.26 -1.65 0.00 0.00 177.43 175.35 1isy h PHE 725 N 0.34 1.03 -0.70 1.19 -1.00 -1.04 -3.00 116.94 113.77 1isy h PHE 725 Ca 0.09 -0.30 0.04 0.00 2.81 0.00 0.00 57.97 60.62 1isy h PHE 725 Cb -0.02 -0.22 -0.04 0.00 3.61 0.00 0.00 35.95 39.27 1isy h PHE 725 CO -0.05 1.10 0.46 0.00 -1.61 0.00 0.00 178.31 178.20 1isy h ALA 726 N 0.87 1.63 0.00 2.45 0.00 -0.83 -1.15 119.26 122.23 1isy h ALA 726 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1isy h ALA 726 Cb 0.93 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1isy h ALA 726 CO 0.09 0.28 -0.04 0.00 0.00 0.00 0.00 179.25 179.58 1isy h ALA 727 N 1.60 1.07 0.00 0.00 0.00 -1.11 -1.73 119.26 119.09 1isy h ALA 727 Ca 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1isy h ALA 727 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1isy h ALA 727 CO -0.08 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.49 1isy n LEU 728 N -3.23 0.00 0.00 0.00 4.77 -0.43 -4.86 117.00 113.24 1isy n LEU 728 Ca -0.01 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1isy n LEU 728 Cb 0.22 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1isy n LEU 728 CO 0.26 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 1isy n GLY 729 N 0.65 1.16 3.28 -0.72 0.00 -0.65 -4.96 105.19 103.95 1isy n GLY 729 Ca 0.12 -0.41 -0.19 0.00 0.00 0.00 0.00 46.02 45.54 1isy n GLY 729 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1isy s VAL 730 N -2.00 1.49 0.56 1.61 -7.23 -1.24 -4.99 120.40 108.60 1isy s VAL 730 Ca 0.00 -1.85 -0.08 0.00 -1.81 0.00 0.00 61.98 58.24 1isy s VAL 730 Cb 0.00 -1.70 -0.03 0.00 0.56 0.00 0.00 36.38 35.22 1isy s VAL 730 CO 0.00 -0.44 0.91 -1.81 -0.31 0.00 0.00 175.10 173.45 1isy s ASP 731 N -2.67 6.09 0.07 4.85 1.01 0.06 -4.24 116.67 121.85 1isy s ASP 731 Ca 0.13 1.09 0.06 0.00 0.71 0.00 0.00 52.55 54.53 1isy s ASP 731 Cb -0.04 -2.22 -0.03 0.00 1.01 0.00 0.00 42.92 41.64 1isy s ASP 731 CO 0.04 -0.81 -0.16 0.68 0.21 0.00 0.00 175.17 175.13 1isy s VAL 732 N -2.98 1.26 -0.05 -1.27 -7.23 -0.48 -1.74 120.40 107.90 1isy s VAL 732 Ca 0.52 -1.30 -0.07 0.00 -1.81 0.00 0.00 61.98 59.32 1isy s VAL 732 Cb -0.11 -1.17 0.01 0.00 0.56 0.00 0.00 36.38 35.67 1isy s VAL 732 CO 0.49 -0.14 0.17 0.00 -0.31 0.00 0.00 175.10 175.31 1isy s ALA 733 N -1.16 -0.42 -0.49 1.32 0.00 -0.86 -1.10 121.76 119.05 1isy s ALA 733 Ca 0.01 0.34 -0.21 0.00 0.00 0.00 0.00 51.96 52.09 1isy s ALA 733 Cb -0.10 -0.18 0.04 0.00 0.00 0.00 0.00 23.12 22.88 1isy s ALA 733 CO 0.02 -0.12 0.71 0.42 0.00 0.00 0.00 175.76 176.79 1isy s ILE 734 N -0.32 4.74 -0.09 0.00 1.01 -1.03 -0.29 121.20 125.22 1isy s ILE 734 Ca -0.04 -0.06 0.13 0.00 0.00 0.00 0.00 60.65 60.68 1isy s ILE 734 Cb -0.03 -4.32 -0.24 0.00 0.01 0.00 0.00 42.46 37.88 1isy s ILE 734 CO 0.01 -0.80 0.50 0.35 0.00 0.00 0.00 174.94 174.99 1isy n THR 735 N 5.86 1.56 -2.75 2.92 -2.24 -0.82 -0.40 114.28 118.41 1isy n THR 735 Ca -0.02 -0.81 -0.04 0.00 -2.27 0.00 0.00 64.05 60.90 1isy n THR 735 Cb 0.47 -0.91 0.04 0.00 -2.10 0.00 0.00 70.33 67.83 1isy n THR 735 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1isy n GLU 736 N -2.98 1.56 -1.68 -0.78 1.02 -0.32 -4.57 120.64 112.89 1isy n GLU 736 Ca -0.22 -3.44 -0.46 0.00 -0.02 0.00 0.00 57.16 53.03 1isy n GLU 736 Cb 1.08 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.97 1isy n GLU 736 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1isy n LEU 737 N -0.39 3.39 -3.64 -4.62 7.94 0.35 -4.12 117.00 115.91 1isy n LEU 737 Ca 0.09 1.04 -0.10 0.00 -1.11 0.00 0.00 56.01 55.93 1isy n LEU 737 Cb 0.81 -1.44 -0.07 0.00 0.53 0.00 0.00 43.42 43.25 1isy n LEU 737 CO 0.16 -0.13 0.56 1.51 -1.11 0.00 0.00 177.39 178.38 1isy s ASP 738 N 1.97 -0.63 -0.17 1.96 1.47 -1.13 -0.56 116.67 119.59 1isy s ASP 738 Ca 0.82 1.17 0.01 0.00 1.18 0.00 0.00 52.55 55.73 1isy s ASP 738 Cb -0.64 1.20 0.02 0.00 -0.34 0.00 0.00 42.92 43.16 1isy s ASP 738 CO 0.41 -0.20 -0.16 -0.63 0.68 0.00 0.00 175.17 175.27 1isy s ILE 739 N 0.54 1.78 -0.15 2.11 1.01 -0.95 -1.34 121.20 124.20 1isy s ILE 739 Ca -0.01 -0.82 -0.34 0.00 0.00 0.00 0.00 60.65 59.49 1isy s ILE 739 Cb -0.05 -1.67 -0.11 0.00 0.01 0.00 0.00 42.46 40.64 1isy s ILE 739 CO -0.06 0.45 1.98 1.67 0.00 0.00 0.00 174.94 178.98 1isy n GLN 740 N 4.70 1.97 0.00 2.79 7.27 0.57 0.39 117.38 135.06 1isy n GLN 740 Ca -0.18 0.68 0.00 0.00 0.07 0.00 0.00 57.00 57.57 1isy n GLN 740 Cb 0.49 -2.69 0.00 0.00 2.41 0.00 0.00 30.24 30.45 1isy n GLN 740 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1isy n GLY 741 N 4.95 2.25 3.88 1.69 0.00 -0.72 -4.55 105.19 112.69 1isy n GLY 741 Ca 0.27 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 1isy n GLY 741 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1isy n ALA 742 N -1.82 -1.46 -1.64 4.61 0.00 0.16 -4.85 120.51 115.51 1isy n ALA 742 Ca 0.00 0.10 -0.48 0.00 0.00 0.00 0.00 53.44 53.06 1isy n ALA 742 Cb 0.00 -3.84 -0.05 0.00 0.00 0.00 0.00 19.45 15.56 1isy n ALA 742 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1isy n SER 743 N -2.88 2.55 -0.21 0.00 2.88 -1.26 -4.49 113.62 110.21 1isy n SER 743 Ca -0.04 1.10 -0.08 0.00 -1.33 0.00 0.00 58.87 58.52 1isy n SER 743 Cb 0.56 -1.34 0.03 0.00 -0.75 0.00 0.00 64.21 62.70 1isy n SER 743 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1isy h SER 744 N 5.29 0.81 -0.34 -3.46 0.02 -1.22 -1.03 113.55 113.62 1isy h SER 744 Ca -0.46 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.30 1isy h SER 744 Cb 1.28 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 1isy h SER 744 CO 0.84 0.76 0.14 0.28 -1.14 0.00 0.00 176.83 177.70 1isy h SER 745 N 0.81 0.47 -0.54 3.07 0.02 -1.90 -1.35 113.55 114.13 1isy h SER 745 Ca 0.19 -0.17 -0.11 0.00 -0.84 0.00 0.00 61.79 60.87 1isy h SER 745 Cb 0.21 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1isy h SER 745 CO -0.02 0.50 -0.08 0.74 -1.14 0.00 0.00 176.83 176.84 1isy h THR 746 N 0.40 1.27 -0.66 -2.27 2.02 -1.92 0.19 112.91 111.93 1isy h THR 746 Ca 0.11 -1.23 -0.06 0.00 0.77 0.00 0.00 66.41 66.01 1isy h THR 746 Cb 0.18 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 1isy h THR 746 CO -0.01 0.44 0.19 1.88 0.37 0.00 0.00 175.52 178.38 1isy h TYR 747 N 0.91 1.08 -0.25 3.16 0.05 -1.07 -1.32 116.97 119.53 1isy h TYR 747 Ca 0.15 -0.12 -0.15 0.00 0.05 0.00 0.00 58.73 58.66 1isy h TYR 747 Cb 0.64 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 1isy h TYR 747 CO 0.04 0.88 -0.45 0.00 -1.05 0.00 0.00 178.16 177.59 1isy h ALA 748 N 1.08 0.73 -0.25 3.88 0.00 -0.96 -2.37 119.26 121.37 1isy h ALA 748 Ca 0.21 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1isy h ALA 748 Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1isy h ALA 748 CO -0.00 0.67 0.14 0.00 0.00 0.00 0.00 179.25 180.05 1isy h ALA 749 N 0.98 0.32 -0.75 0.00 0.00 -0.31 0.17 119.26 119.66 1isy h ALA 749 Ca 0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1isy h ALA 749 Cb 0.99 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1isy h ALA 749 CO 0.09 -0.15 0.31 0.28 0.00 0.00 0.00 179.25 179.78 1isy h VAL 750 N 0.29 1.25 -0.26 0.00 2.07 -1.24 -0.19 116.25 118.17 1isy h VAL 750 Ca 0.09 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1isy h VAL 750 Cb 0.07 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1isy h VAL 750 CO -0.01 0.31 0.13 0.74 0.02 0.00 0.00 177.57 178.76 1isy h THR 751 N 1.07 1.15 0.00 2.57 2.02 -1.02 -2.34 112.91 116.36 1isy h THR 751 Ca 0.25 -0.42 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 1isy h THR 751 Cb 0.19 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1isy h THR 751 CO -0.02 0.15 -0.20 0.78 0.37 0.00 0.00 175.52 176.60 1isy h ASN 752 N 0.29 0.00 -0.35 4.18 2.35 -0.33 -1.79 115.58 119.93 1isy h ASN 752 Ca 0.09 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 1isy h ASN 752 Cb 0.12 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1isy h ASN 752 CO -0.01 0.20 0.05 0.44 -1.65 0.00 0.00 177.43 176.46 1isy h ASP 753 N 0.00 0.56 -0.62 5.81 3.32 -0.52 -1.93 116.42 123.04 1isy h ASP 753 Ca -0.00 -0.26 -0.08 0.00 0.02 0.00 0.00 57.03 56.70 1isy h ASP 753 Cb 0.39 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1isy h ASP 753 CO 0.03 0.68 0.08 0.00 -1.72 0.00 0.00 179.24 178.31 1isy h LEU 755 N 0.98 0.00 0.00 0.00 3.38 -1.15 -2.57 115.31 115.95 1isy h LEU 755 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1isy h LEU 755 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1isy h LEU 755 CO 0.02 0.00 -0.53 0.00 0.09 0.00 0.00 178.44 178.02 1isy n ALA 756 N -1.95 2.99 -3.61 1.53 0.00 -0.74 -4.71 120.51 114.02 1isy n ALA 756 Ca 0.01 -0.25 -0.37 0.00 0.00 0.00 0.00 53.44 52.83 1isy n ALA 756 Cb 0.24 -1.19 -0.12 0.00 0.00 0.00 0.00 19.45 18.38 1isy n ALA 756 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1isy s VAL 757 N -3.12 3.39 0.42 0.00 1.01 -0.97 -4.99 120.40 116.16 1isy s VAL 757 Ca 0.08 -1.67 0.23 0.00 0.00 0.00 0.00 61.98 60.62 1isy s VAL 757 Cb 0.15 -3.14 0.43 0.00 0.00 0.00 0.00 36.38 33.81 1isy s VAL 757 CO 0.70 -0.44 1.75 0.77 0.00 0.00 0.00 175.10 177.88 1isy h SER 758 N 8.10 0.36 -0.00 3.32 4.64 -1.84 0.33 113.55 128.46 1isy h SER 758 Ca -0.18 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1isy h SER 758 Cb 1.06 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1isy h SER 758 CO 0.65 0.04 0.00 0.54 -0.87 0.00 0.00 176.83 177.18 1isy n ARG 759 N -4.58 1.09 -2.65 4.77 1.74 -1.26 -4.70 116.66 111.08 1isy n ARG 759 Ca 0.27 -0.14 -0.43 0.00 -0.77 0.00 0.00 57.85 56.79 1isy n ARG 759 Cb 1.01 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.94 1isy n ARG 759 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1isy h LEU 761 N 11.38 0.00 0.00 0.00 3.38 -1.39 -3.47 115.31 125.20 1isy h LEU 761 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1isy h LEU 761 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1isy h LEU 761 CO 1.13 0.32 0.00 0.61 0.09 0.00 0.00 178.44 180.59 1isy n GLY 762 N -0.52 -1.44 2.98 0.83 0.00 -1.26 -2.74 105.19 103.03 1isy n GLY 762 Ca -0.02 -1.14 -0.21 0.00 0.00 0.00 0.00 46.02 44.65 1isy n GLY 762 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1isy s ILE 763 N -2.93 0.76 -0.11 -0.61 1.01 -0.81 -2.46 121.20 116.06 1isy s ILE 763 Ca 0.00 -0.31 0.03 0.00 0.00 0.00 0.00 60.65 60.36 1isy s ILE 763 Cb 0.00 -0.70 0.01 0.00 0.01 0.00 0.00 42.46 41.78 1isy s ILE 763 CO 0.00 0.25 -0.19 -0.89 0.00 0.00 0.00 174.94 174.11 1isy s THR 764 N 0.44 1.79 -0.04 2.92 2.01 0.47 -0.04 115.64 123.19 1isy s THR 764 Ca -0.07 -0.83 -0.12 0.00 0.31 0.00 0.00 61.69 60.98 1isy s THR 764 Cb -0.11 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.76 1isy s THR 764 CO 0.01 0.50 0.32 0.68 -0.69 0.00 0.00 174.62 175.43 1isy s VAL 765 N 0.77 5.19 -1.49 3.82 -7.23 -0.56 -0.50 120.40 120.40 1isy s VAL 765 Ca -0.10 0.62 -0.13 0.00 -1.81 0.00 0.00 61.98 60.56 1isy s VAL 765 Cb -0.16 -3.60 0.02 0.00 0.56 0.00 0.00 36.38 33.19 1isy s VAL 765 CO 0.01 0.59 2.38 1.87 -0.31 0.00 0.00 175.10 179.64 1isy n TRP 766 N 1.86 3.27 0.00 2.82 -0.00 0.28 -2.76 117.44 122.90 1isy n TRP 766 Ca -0.16 -3.00 0.00 0.00 -0.00 0.00 0.00 57.50 54.34 1isy n TRP 766 Cb 0.53 -2.53 0.00 0.00 -0.00 0.00 0.00 31.31 29.32 1isy n TRP 766 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1isy n GLY 767 N 3.94 3.46 0.05 5.87 0.00 -1.26 -4.67 105.19 112.57 1isy n GLY 767 Ca 0.58 -1.76 -0.04 0.00 0.00 0.00 0.00 46.02 44.80 1isy n GLY 767 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1isy n VAL 768 N -1.72 0.80 -4.14 1.61 0.31 -1.26 -4.58 118.33 109.34 1isy n VAL 768 Ca 0.00 0.32 -0.26 0.00 -0.01 0.00 0.00 64.34 64.39 1isy n VAL 768 Cb 0.00 -1.97 -0.06 0.00 -0.91 0.00 0.00 33.84 30.90 1isy n VAL 768 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1isy s ARG 769 N -1.92 2.67 0.39 5.55 0.52 -1.26 -3.37 118.95 121.54 1isy s ARG 769 Ca -0.13 -1.00 0.14 0.00 -0.52 0.00 0.00 55.73 54.21 1isy s ARG 769 Cb 0.02 -2.50 0.97 0.00 0.52 0.00 0.00 34.95 33.96 1isy s ARG 769 CO 0.20 0.46 1.87 -0.44 0.02 0.00 0.00 175.30 177.41 1isy h ASP 770 N 2.46 0.50 0.68 0.23 3.32 -0.40 0.20 116.42 123.41 1isy h ASP 770 Ca -0.47 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1isy h ASP 770 Cb 1.21 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1isy h ASP 770 CO 0.61 0.24 0.00 0.71 -1.72 0.00 0.00 179.24 179.07 1isy h THR 771 N 0.52 0.00 0.00 0.35 1.35 -1.86 -2.25 112.91 111.02 1isy h THR 771 Ca 0.44 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 1isy h THR 771 Cb 0.91 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1isy h THR 771 CO -0.18 0.00 -0.71 0.47 -0.25 0.00 0.00 175.52 174.85 1isy n ASP 772 N -2.92 0.62 -4.76 5.36 8.00 0.68 -4.94 116.55 118.58 1isy n ASP 772 Ca -0.00 -0.12 -0.38 0.00 0.71 0.00 0.00 54.79 55.00 1isy n ASP 772 Cb 0.22 0.39 0.01 0.00 -0.02 0.00 0.00 41.12 41.72 1isy n ASP 772 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1isy s SER 773 N -3.72 5.93 0.05 -2.24 0.15 -0.85 -4.89 113.70 108.13 1isy s SER 773 Ca 0.07 2.50 0.15 0.00 0.70 0.00 0.00 55.95 59.37 1isy s SER 773 Cb 0.15 -2.62 0.64 0.00 -1.71 0.00 0.00 66.02 62.48 1isy s SER 773 CO 0.74 -1.10 1.47 -2.67 1.20 0.00 0.00 173.24 172.88 1isy n TRP 774 N -0.53 0.14 -3.17 3.44 4.27 -1.26 -2.75 117.44 117.58 1isy n TRP 774 Ca 0.08 0.06 -0.19 0.00 -3.89 0.00 0.00 57.50 53.55 1isy n TRP 774 Cb 0.46 -0.59 -0.03 0.00 -1.36 0.00 0.00 31.31 29.79 1isy n TRP 774 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1isy n ARG 775 N -1.63 1.17 0.02 -2.67 1.74 -1.26 -4.95 116.66 109.08 1isy n ARG 775 Ca 0.03 -3.51 0.07 0.00 -0.77 0.00 0.00 57.85 53.67 1isy n ARG 775 Cb 0.16 -1.75 0.48 0.00 -1.02 0.00 0.00 32.46 30.34 1isy n ARG 775 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1isy h SER 776 N 3.02 0.36 -0.04 0.55 4.64 -1.69 -1.11 113.55 119.28 1isy h SER 776 Ca 0.10 -0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.43 1isy h SER 776 Cb 0.93 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1isy h SER 776 CO 0.53 0.25 0.08 1.23 -0.87 0.00 0.00 176.83 178.05 1isy h GLY 777 N 0.42 0.00 -0.81 -0.77 0.00 -1.90 0.76 103.07 100.77 1isy h GLY 777 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1isy h GLY 777 CO -0.04 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.72 1isy n ASP 778 N -3.47 1.85 -3.70 0.19 8.00 -0.42 -4.96 116.55 114.03 1isy n ASP 778 Ca -0.02 -1.62 -0.24 0.00 0.71 0.00 0.00 54.79 53.62 1isy n ASP 778 Cb 0.17 -0.01 0.01 0.00 -0.02 0.00 0.00 41.12 41.27 1isy n ASP 778 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1isy n THR 779 N 0.44 -1.72 -0.44 -3.53 -2.24 0.26 -1.75 114.28 105.30 1isy n THR 779 Ca 0.18 -0.22 0.11 0.00 -2.27 0.00 0.00 64.05 61.84 1isy n THR 779 Cb 0.41 -1.49 0.33 0.00 -2.10 0.00 0.00 70.33 67.47 1isy n THR 779 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1isy n PRO 780 N -2.84 3.02 -1.00 -0.78 -0.04 -1.26 -3.60 135.00 128.50 1isy n PRO 780 Ca -0.12 -2.71 0.00 0.00 -0.04 0.00 0.00 63.50 60.63 1isy n PRO 780 Cb 0.37 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 1isy n PRO 780 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1isy n LEU 781 N 1.45 0.00 -0.26 1.53 4.77 -1.26 -2.24 117.00 120.99 1isy n LEU 781 Ca 0.24 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.33 1isy n LEU 781 Cb 0.69 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.73 1isy n LEU 781 CO 0.18 -0.29 0.14 0.18 -1.33 0.00 0.00 177.39 176.28 1isy n LEU 782 N 0.00 1.54 -4.10 2.23 4.77 -1.26 -4.87 117.00 115.31 1isy n LEU 782 Ca 0.00 -0.64 -0.21 0.00 -0.03 0.00 0.00 56.01 55.13 1isy n LEU 782 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 1isy n LEU 782 CO 0.00 0.32 -0.46 -0.36 -1.33 0.00 0.00 177.39 175.55 1isy s PHE 783 N -2.68 1.14 0.77 -1.77 0.40 -1.22 -1.77 117.98 112.85 1isy s PHE 783 Ca 0.13 -0.26 -0.02 0.00 -0.60 0.00 0.00 56.93 56.18 1isy s PHE 783 Cb 0.17 -0.71 0.15 0.00 0.51 0.00 0.00 43.02 43.13 1isy s PHE 783 CO 0.70 -0.00 1.05 0.54 0.70 0.00 0.00 175.22 178.21 1isy s ASN 784 N -0.56 4.09 0.44 1.36 2.20 -0.79 0.26 114.94 121.94 1isy s ASN 784 Ca 0.04 -0.39 0.22 0.00 -0.94 0.00 0.00 52.86 51.78 1isy s ASN 784 Cb -0.06 0.12 1.19 0.00 -2.00 0.00 0.00 41.25 40.51 1isy s ASN 784 CO 0.00 -2.05 1.84 1.23 -2.94 0.00 0.00 177.10 175.18 1isy h GLY 785 N -0.71 0.73 2.00 0.45 0.00 -1.92 0.37 103.07 104.00 1isy h GLY 785 Ca -0.36 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1isy h GLY 785 CO 0.38 -0.04 0.00 -0.55 0.00 0.00 0.00 176.54 176.33 1isy h ASP 786 N 0.30 0.00 0.00 0.19 3.32 -2.02 -3.46 116.42 114.75 1isy h ASP 786 Ca 0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.55 1isy h ASP 786 Cb 1.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.98 1isy h ASP 786 CO -0.16 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.97 1isy n GLY 787 N 0.08 0.74 3.84 2.75 0.00 0.13 -5.06 105.19 107.67 1isy n GLY 787 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1isy n GLY 787 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1isy s SER 788 N -2.56 6.84 0.16 1.61 1.04 -1.26 -4.76 113.70 114.76 1isy s SER 788 Ca 0.00 1.39 -0.31 0.00 0.48 0.00 0.00 55.95 57.51 1isy s SER 788 Cb 0.00 -2.41 -0.09 0.00 0.10 0.00 0.00 66.02 63.62 1isy s SER 788 CO 0.00 -0.22 1.45 -0.54 0.98 0.00 0.00 173.24 174.91 1isy s LYS 789 N -2.95 4.28 0.60 4.02 1.02 -1.26 -1.89 119.74 123.57 1isy s LYS 789 Ca 0.55 2.20 -0.03 0.00 0.02 0.00 0.00 55.97 58.71 1isy s LYS 789 Cb -0.10 -3.19 0.03 0.00 -0.52 0.00 0.00 37.83 34.05 1isy s LYS 789 CO 0.17 -0.47 0.87 0.15 -0.92 0.00 0.00 175.35 175.15 1isy s LYS 790 N 0.75 2.55 0.38 1.68 1.02 -0.73 -4.78 119.74 120.62 1isy s LYS 790 Ca 0.65 -0.41 0.11 0.00 0.02 0.00 0.00 55.97 56.33 1isy s LYS 790 Cb -0.40 -2.34 0.88 0.00 -0.52 0.00 0.00 37.83 35.45 1isy s LYS 790 CO 0.33 -0.85 1.91 0.00 -0.92 0.00 0.00 175.35 175.83 1isy h ALA 791 N -0.17 1.90 -0.08 5.17 0.00 -1.87 -0.50 119.26 123.71 1isy h ALA 791 Ca -0.44 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 1isy h ALA 791 Cb 1.29 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1isy h ALA 791 CO 0.57 -0.10 -0.27 0.00 0.00 0.00 0.00 179.25 179.45 1isy h ALA 792 N 1.62 1.41 -0.49 0.00 0.00 -1.88 -2.52 119.26 117.39 1isy h ALA 792 Ca 0.39 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1isy h ALA 792 Cb 0.66 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1isy h ALA 792 CO -0.15 0.42 0.32 -0.92 0.00 0.00 0.00 179.25 178.92 1isy h TYR 793 N 0.12 0.62 -0.32 0.00 5.03 -1.27 -1.21 116.97 119.94 1isy h TYR 793 Ca 0.02 0.01 -0.13 0.00 2.58 0.00 0.00 58.73 61.22 1isy h TYR 793 Cb 0.55 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.61 1isy h TYR 793 CO 0.00 0.39 -0.32 1.15 -1.32 0.00 0.00 178.16 178.06 1isy h THR 794 N 0.67 1.28 -0.68 1.81 2.02 -1.49 -0.75 112.91 115.77 1isy h THR 794 Ca 0.18 -1.46 -0.04 0.00 0.77 0.00 0.00 66.41 65.86 1isy h THR 794 Cb -0.07 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1isy h THR 794 CO -0.04 0.47 0.28 0.00 0.37 0.00 0.00 175.52 176.61 1isy h ALA 795 N 1.06 0.88 0.05 6.16 0.00 -1.17 0.88 119.26 127.12 1isy h ALA 795 Ca 0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1isy h ALA 795 Cb 0.84 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1isy h ALA 795 CO 0.07 0.49 -0.03 0.28 0.00 0.00 0.00 179.25 180.06 1isy h VAL 796 N 0.96 1.17 -0.75 0.00 2.07 -1.04 -1.27 116.25 117.38 1isy h VAL 796 Ca 0.23 -0.75 0.07 0.00 0.82 0.00 0.00 66.70 67.07 1isy h VAL 796 Cb 0.19 1.66 -0.06 0.00 -1.52 0.00 0.00 31.29 31.55 1isy h VAL 796 CO -0.02 0.19 0.43 0.25 0.02 0.00 0.00 177.57 178.44 1isy h LEU 797 N -0.41 0.65 -0.67 2.57 5.85 -1.01 0.27 115.31 122.56 1isy h LEU 797 Ca -0.01 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 1isy h LEU 797 Cb 0.36 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1isy h LEU 797 CO 0.01 0.41 -0.05 0.78 -0.34 0.00 0.00 178.44 179.25 1isy h ASN 798 N 0.78 0.97 -0.45 1.25 2.35 -0.78 -1.50 115.58 118.19 1isy h ASN 798 Ca 0.34 -0.29 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 1isy h ASN 798 Cb 0.23 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1isy h ASN 798 CO -0.20 1.05 0.09 0.00 -1.65 0.00 0.00 177.43 176.72 1isy h ALA 799 N 1.04 0.60 -0.40 -0.83 0.00 -0.49 0.93 119.26 120.10 1isy h ALA 799 Ca 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1isy h ALA 799 Cb 0.59 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1isy h ALA 799 CO 0.04 0.31 0.16 -0.07 0.00 0.00 0.00 179.25 179.68 1isy h LEU 800 N 0.61 0.51 -0.64 0.00 3.38 -0.78 -1.65 115.31 116.75 1isy h LEU 800 Ca 0.14 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1isy h LEU 800 Cb 0.36 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1isy h LEU 800 CO 0.01 0.47 0.00 0.59 0.09 0.00 0.00 178.44 179.60 1isy n ASN 801 N -4.38 0.94 0.00 -0.43 3.02 -0.58 -4.80 115.26 109.03 1isy n ASN 801 Ca 0.03 -1.88 0.00 0.00 -0.03 0.00 0.00 54.58 52.69 1isy n ASN 801 Cb 0.15 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 1isy n ASN 801 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1isy n GLY 802 N 0.84 0.92 0.97 7.41 0.00 -0.62 -4.99 105.19 109.72 1isy n GLY 802 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1isy n GLY 802 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1isy n GLY 803 N -2.00 -1.97 3.76 -0.02 0.00 0.32 -4.83 105.19 100.45 1isy n GLY 803 Ca 0.00 -1.26 -0.39 0.00 0.00 0.00 0.00 46.02 44.37 1isy n GLY 803 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1isy s SER 804 N -5.86 5.91 -0.03 1.61 0.01 -1.26 -4.90 113.70 109.18 1isy s SER 804 Ca 0.00 2.63 0.02 0.00 1.31 0.00 0.00 55.95 59.91 1isy s SER 804 Cb 0.00 -2.63 0.12 0.00 0.21 0.00 0.00 66.02 63.72 1isy s SER 804 CO 0.00 -1.12 0.75 -1.54 0.41 0.00 0.00 173.24 171.73 1isy n SER 805 N -0.42 1.52 -3.89 2.44 3.41 -1.26 -4.83 113.62 110.60 1isy n SER 805 Ca 0.07 -2.12 -0.09 0.00 -0.26 0.00 0.00 58.87 56.47 1isy n SER 805 Cb 0.45 -0.45 -0.08 0.00 -0.26 0.00 0.00 64.21 63.86 1isy n SER 805 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1isy s THR 806 N -1.36 0.13 -0.08 6.66 -4.23 -1.26 -5.13 115.64 110.37 1isy s THR 806 Ca 0.08 -1.09 -0.31 0.00 -1.18 0.00 0.00 61.69 59.19 1isy s THR 806 Cb 0.06 -1.07 -0.09 0.00 1.34 0.00 0.00 72.50 72.74 1isy s THR 806 CO 0.03 -0.60 2.04 -2.65 -0.54 0.00 0.00 174.62 172.90 1isy n PRO 807 N 0.45 2.36 -1.73 3.99 -0.02 -1.26 -4.96 135.00 133.83 1isy n PRO 807 Ca -0.17 0.81 -0.39 0.00 -2.02 0.00 0.00 63.50 61.73 1isy n PRO 807 Cb 0.60 -2.96 0.04 0.00 -0.02 0.00 0.00 33.50 31.16 1isy n PRO 807 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1isy n PRO 808 N 7.73 1.67 -1.60 0.52 -0.02 -1.26 -4.82 135.00 137.22 1isy n PRO 808 Ca 0.25 0.61 -0.14 0.00 -2.02 0.00 0.00 63.50 62.20 1isy n PRO 808 Cb 0.38 -2.53 -0.08 0.00 -0.02 0.00 0.00 33.50 31.25 1isy n PRO 808 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1isy s PRO 809 N -2.81 1.51 0.19 0.52 0.02 -1.26 -4.93 135.00 128.23 1isy s PRO 809 Ca 0.71 0.21 -0.30 0.00 0.02 0.00 0.00 61.00 61.64 1isy s PRO 809 Cb -0.43 -4.85 -0.08 0.00 0.02 0.00 0.00 34.50 29.17 1isy s PRO 809 CO 0.50 -4.72 0.98 0.45 -0.33 0.00 0.00 177.00 173.88 1isy s SER 810 N 10.14 7.52 -0.88 2.53 0.15 -1.26 -3.75 113.70 128.16 1isy s SER 810 Ca 0.89 1.93 -0.05 0.00 0.70 0.00 0.00 55.95 59.42 1isy s SER 810 Cb -0.11 -2.60 0.01 0.00 -1.71 0.00 0.00 66.02 61.61 1isy s SER 810 CO 0.10 0.01 0.62 0.61 1.20 0.00 0.00 173.24 175.78 1isy n GLY 811 N 1.82 0.00 1.94 9.45 0.00 -1.26 -4.81 105.19 112.34 1isy n GLY 811 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 46.02 45.89 1isy n GLY 811 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1isy n GLY 812 N -1.37 -2.21 0.00 -0.02 0.00 -1.25 -4.96 105.19 95.39 1isy n GLY 812 Ca -0.02 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1isy n GLY 812 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1isy n GLY 813 N -0.81 -0.14 3.88 -0.02 0.00 0.61 -4.85 105.19 103.86 1isy n GLY 813 Ca 0.00 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 1isy n GLY 813 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1isy s GLN 814 N -1.91 3.70 -0.36 1.61 -0.21 -1.10 0.49 119.66 121.88 1isy s GLN 814 Ca 0.00 0.48 0.03 0.00 0.02 0.00 0.00 55.36 55.88 1isy s GLN 814 Cb 0.00 -2.31 0.11 0.00 1.00 0.00 0.00 33.01 31.80 1isy s GLN 814 CO 0.00 -0.19 0.09 0.42 -2.12 0.00 0.00 175.29 173.49 1isy s ILE 815 N -2.63 1.89 -0.15 1.08 1.01 -1.26 -1.60 121.20 119.54 1isy s ILE 815 Ca 0.51 -2.21 -0.15 0.00 0.00 0.00 0.00 60.65 58.80 1isy s ILE 815 Cb -0.10 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.93 1isy s ILE 815 CO 0.39 -0.66 0.33 -0.75 0.00 0.00 0.00 174.94 174.25 1isy s LYS 816 N 0.93 4.26 0.06 2.79 2.36 -0.66 -0.90 119.74 128.58 1isy s LYS 816 Ca 0.12 0.17 -0.31 0.00 -2.55 0.00 0.00 55.97 53.40 1isy s LYS 816 Cb -0.20 -3.42 -0.05 0.00 -1.05 0.00 0.00 37.83 33.11 1isy s LYS 816 CO -0.11 0.23 1.18 0.20 1.55 0.00 0.00 175.35 178.40 1isy s GLY 817 N 0.46 2.47 0.11 5.54 0.00 0.15 -0.43 107.32 115.62 1isy s GLY 817 Ca 0.19 0.82 -0.16 0.00 0.00 0.00 0.00 44.72 45.56 1isy s GLY 817 CO 0.05 2.00 1.54 -0.39 0.00 0.00 0.00 173.10 176.30 1isy h VAL 818 N 4.52 1.26 0.00 1.40 -1.51 -1.60 0.41 116.25 120.73 1isy h VAL 818 Ca -0.42 -1.02 0.00 0.00 -1.23 0.00 0.00 66.70 64.04 1isy h VAL 818 Cb 1.21 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 1isy h VAL 818 CO 0.80 0.33 0.00 0.61 -1.23 0.00 0.00 177.57 178.09 1isy n GLY 819 N -0.30 -0.73 0.00 5.19 0.00 -0.51 -3.73 105.19 105.11 1isy n GLY 819 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1isy n GLY 819 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1isy n SER 820 N -0.97 0.50 0.00 1.61 3.41 -1.16 -4.89 113.62 112.12 1isy n SER 820 Ca 0.17 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1isy n SER 820 Cb 0.08 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1isy n SER 820 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1isy n GLY 821 N 0.27 0.45 3.91 5.00 0.00 0.14 -4.97 105.19 110.00 1isy n GLY 821 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1isy n GLY 821 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1isy s ARG 822 N -0.60 3.26 0.16 1.61 0.52 -1.24 -4.71 118.95 117.94 1isy s ARG 822 Ca 0.00 -0.79 -0.01 0.00 -0.52 0.00 0.00 55.73 54.41 1isy s ARG 822 Cb 0.00 -2.81 -0.04 0.00 0.52 0.00 0.00 34.95 32.62 1isy s ARG 822 CO 0.00 0.46 0.34 0.00 0.02 0.00 0.00 175.30 176.11 1isy s LEU 824 N -3.06 4.40 -0.03 0.00 2.96 -0.08 -1.81 118.68 121.06 1isy s LEU 824 Ca 0.37 2.59 0.02 0.00 -0.22 0.00 0.00 54.13 56.90 1isy s LEU 824 Cb -0.12 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.04 1isy s LEU 824 CO 0.28 -0.99 -0.06 -0.62 -1.32 0.00 0.00 176.35 173.64 1isy s ASP 825 N 3.48 0.90 -0.43 3.68 -1.08 0.23 -4.50 116.67 118.95 1isy s ASP 825 Ca 0.82 -0.13 -0.21 0.00 -0.52 0.00 0.00 52.55 52.50 1isy s ASP 825 Cb -0.42 -0.29 0.02 0.00 -1.46 0.00 0.00 42.92 40.78 1isy s ASP 825 CO 0.37 0.02 0.68 -0.69 0.52 0.00 0.00 175.17 176.07 1isy s VAL 826 N 0.39 4.79 -0.44 1.11 1.01 -0.75 -0.02 120.40 126.48 1isy s VAL 826 Ca -0.05 0.25 -0.41 0.00 0.00 0.00 0.00 61.98 61.77 1isy s VAL 826 Cb -0.09 -4.22 -0.18 0.00 0.00 0.00 0.00 36.38 31.89 1isy s VAL 826 CO 0.00 -0.60 1.46 -2.65 0.00 0.00 0.00 175.10 173.32 1isy n PRO 827 N 6.36 0.00 -1.85 2.72 -0.02 -1.26 -1.08 135.00 139.87 1isy n PRO 827 Ca -0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.28 1isy n PRO 827 Cb 0.48 -1.32 -0.06 0.00 -0.02 0.00 0.00 33.50 32.58 1isy n PRO 827 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1isy n ASN 828 N 3.86 -5.22 -2.34 2.55 5.03 -1.26 -1.92 115.26 115.96 1isy n ASN 828 Ca 0.30 0.32 -0.18 0.00 0.87 0.00 0.00 54.58 55.89 1isy n ASN 828 Cb -0.05 -4.54 -0.01 0.00 -1.02 0.00 0.00 39.78 34.15 1isy n ASN 828 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1isy n ALA 829 N 0.07 -0.65 -1.74 5.41 0.00 -0.24 -4.93 120.51 118.42 1isy n ALA 829 Ca -0.20 0.15 -0.35 0.00 0.00 0.00 0.00 53.44 53.04 1isy n ALA 829 Cb 0.65 -1.92 0.01 0.00 0.00 0.00 0.00 19.45 18.19 1isy n ALA 829 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1isy s SER 830 N -2.08 5.64 0.00 0.00 0.15 -0.81 -4.95 113.70 111.65 1isy s SER 830 Ca 0.00 2.16 0.04 0.00 0.70 0.00 0.00 55.95 58.85 1isy s SER 830 Cb 0.00 -2.58 0.13 0.00 -1.71 0.00 0.00 66.02 61.86 1isy s SER 830 CO 0.00 -1.27 1.10 0.35 1.20 0.00 0.00 173.24 174.62 1isy n THR 831 N -1.44 0.99 -2.15 6.45 -2.24 -1.26 -4.90 114.28 109.73 1isy n THR 831 Ca 0.12 -1.00 -0.42 0.00 -2.27 0.00 0.00 64.05 60.47 1isy n THR 831 Cb 0.51 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 1isy n THR 831 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1isy s THR 832 N -1.00 3.69 0.25 4.28 2.01 -1.26 -4.96 115.64 118.66 1isy s THR 832 Ca 0.10 0.97 -0.31 0.00 0.31 0.00 0.00 61.69 62.76 1isy s THR 832 Cb 0.05 -3.63 -0.13 0.00 0.01 0.00 0.00 72.50 68.81 1isy s THR 832 CO 0.07 -0.04 1.54 0.47 -0.69 0.00 0.00 174.62 175.96 1isy n ASP 833 N 6.20 3.39 0.00 3.53 8.00 -1.26 -2.05 116.55 134.36 1isy n ASP 833 Ca 0.15 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.78 1isy n ASP 833 Cb 0.43 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.02 1isy n ASP 833 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1isy n GLY 834 N 2.52 0.38 3.62 0.44 0.00 -0.02 -5.01 105.19 107.12 1isy n GLY 834 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1isy n GLY 834 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1isy s THR 835 N -2.00 4.08 0.33 2.61 2.01 -0.87 -4.79 115.64 117.01 1isy s THR 835 Ca 0.00 1.18 -0.29 0.00 0.31 0.00 0.00 61.69 62.90 1isy s THR 835 Cb 0.00 -4.18 -0.10 0.00 0.01 0.00 0.00 72.50 68.22 1isy s THR 835 CO 0.00 -0.57 1.31 -1.58 -0.69 0.00 0.00 174.62 173.09 1isy s GLN 836 N 4.38 4.36 0.61 4.92 0.74 -1.26 -1.90 119.66 131.51 1isy s GLN 836 Ca 0.57 2.21 -0.09 0.00 0.05 0.00 0.00 55.36 58.11 1isy s GLN 836 Cb -0.16 -3.07 -0.01 0.00 1.10 0.00 0.00 33.01 30.87 1isy s GLN 836 CO 0.26 -0.19 0.97 0.14 -0.55 0.00 0.00 175.29 175.92 1isy s VAL 837 N -1.13 4.06 0.29 1.34 -7.23 -0.57 -4.46 120.40 112.72 1isy s VAL 837 Ca 0.49 0.39 0.06 0.00 -1.81 0.00 0.00 61.98 61.10 1isy s VAL 837 Cb -0.40 -3.63 -0.02 0.00 0.56 0.00 0.00 36.38 32.89 1isy s VAL 837 CO 0.53 -0.74 0.27 0.00 -0.31 0.00 0.00 175.10 174.85 1isy n GLN 838 N -2.70 0.40 -4.05 4.82 10.64 0.97 -2.00 117.38 125.47 1isy n GLN 838 Ca 0.05 -2.84 -0.34 0.00 -1.83 0.00 0.00 57.00 52.05 1isy n GLN 838 Cb 0.56 2.38 -0.07 0.00 -0.86 0.00 0.00 30.24 32.26 1isy n GLN 838 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1isy s LEU 839 N 0.00 4.05 -0.05 2.61 1.43 0.10 0.78 118.68 127.60 1isy s LEU 839 Ca 0.33 0.24 -0.29 0.00 -1.03 0.00 0.00 54.13 53.38 1isy s LEU 839 Cb 0.01 -2.29 0.10 0.00 0.03 0.00 0.00 46.19 44.04 1isy s LEU 839 CO 0.24 0.30 0.84 -0.47 0.23 0.00 0.00 176.35 177.48 1isy s TYR 840 N -1.18 -0.46 0.07 0.29 5.04 -0.75 -1.36 117.35 119.00 1isy s TYR 840 Ca 0.22 0.62 -0.37 0.00 -2.44 0.00 0.00 57.07 55.10 1isy s TYR 840 Cb -0.12 0.48 -0.18 0.00 0.35 0.00 0.00 41.96 42.49 1isy s TYR 840 CO 0.13 -0.53 1.27 -0.25 -1.34 0.00 0.00 175.55 174.83 1isy n ASP 841 N 0.39 1.23 -4.76 4.32 8.00 -1.26 -1.15 116.55 123.32 1isy n ASP 841 Ca -0.13 1.13 -0.40 0.00 0.71 0.00 0.00 54.79 56.10 1isy n ASP 841 Cb 0.60 -1.12 -0.03 0.00 -0.02 0.00 0.00 41.12 40.54 1isy n ASP 841 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1isy s HIS 843 N -1.21 -0.19 -0.80 0.00 -3.43 -1.26 -5.04 115.29 103.36 1isy s HIS 843 Ca 0.48 -0.01 -0.25 0.00 -0.80 0.00 0.00 55.06 54.48 1isy s HIS 843 Cb -0.34 0.58 -0.05 0.00 -1.43 0.00 0.00 32.58 31.34 1isy s HIS 843 CO 0.44 -0.60 1.99 -1.12 -2.00 0.00 0.00 174.74 173.45 1isy s SER 844 N -2.73 5.02 -0.11 7.38 0.01 -1.26 -4.88 113.70 117.13 1isy s SER 844 Ca 0.10 -0.27 -0.08 0.00 1.31 0.00 0.00 55.95 57.01 1isy s SER 844 Cb -0.00 -2.55 0.04 0.00 0.21 0.00 0.00 66.02 63.71 1isy s SER 844 CO -0.03 -2.77 0.28 0.00 0.41 0.00 0.00 173.24 171.12 1isy s ALA 845 N 10.40 -0.67 0.51 1.44 0.00 -1.26 -5.03 121.76 127.15 1isy s ALA 845 Ca 0.73 0.90 0.19 0.00 0.00 0.00 0.00 51.96 53.78 1isy s ALA 845 Cb -0.09 -0.54 1.28 0.00 0.00 0.00 0.00 23.12 23.76 1isy s ALA 845 CO 0.07 -0.16 2.07 1.15 0.00 0.00 0.00 175.76 178.89 1isy h THR 846 N 5.14 0.90 0.00 0.00 2.02 -1.95 -0.86 112.91 118.15 1isy h THR 846 Ca -0.31 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1isy h THR 846 Cb 1.18 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 1isy h THR 846 CO 0.34 0.01 0.00 -0.46 0.37 0.00 0.00 175.52 175.79 1isy n ASN 847 N -4.47 0.65 0.00 4.18 6.94 -1.26 -2.52 115.26 118.78 1isy n ASN 847 Ca 0.03 -1.78 0.00 0.00 -0.02 0.00 0.00 54.58 52.81 1isy n ASN 847 Cb 0.30 -0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.40 1isy n ASN 847 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1isy n GLN 848 N -0.09 0.02 -3.23 -3.83 6.02 -0.33 -1.82 117.38 114.12 1isy n GLN 848 Ca 0.00 -0.06 -0.44 0.00 -0.01 0.00 0.00 57.00 56.49 1isy n GLN 848 Cb 0.16 -0.49 -0.06 0.00 1.02 0.00 0.00 30.24 30.87 1isy n GLN 848 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1isy s GLN 849 N -0.02 3.05 -0.11 -1.09 -1.52 -1.05 -4.04 119.66 114.88 1isy s GLN 849 Ca 0.00 -1.24 -0.05 0.00 -1.95 0.00 0.00 55.36 52.12 1isy s GLN 849 Cb 0.00 -4.18 -0.04 0.00 -0.22 0.00 0.00 33.01 28.57 1isy s GLN 849 CO 0.00 -1.27 0.08 -1.58 -0.25 0.00 0.00 175.29 172.27 1isy s TRP 850 N 2.25 3.41 -0.14 0.91 0.52 0.18 -4.54 118.94 121.52 1isy s TRP 850 Ca 0.10 0.37 0.01 0.00 0.02 0.00 0.00 56.10 56.60 1isy s TRP 850 Cb -0.23 -1.90 0.00 0.00 -1.15 0.00 0.00 33.47 30.19 1isy s TRP 850 CO 0.08 0.59 -0.18 0.99 0.02 0.00 0.00 176.95 178.45 1isy s THR 851 N -0.86 2.42 -0.33 2.01 2.01 -0.08 -0.28 115.64 120.53 1isy s THR 851 Ca 0.13 -0.86 -0.19 0.00 0.31 0.00 0.00 61.69 61.08 1isy s THR 851 Cb -0.12 -1.99 -0.01 0.00 0.01 0.00 0.00 72.50 70.39 1isy s THR 851 CO 0.03 0.53 0.56 -0.47 -0.69 0.00 0.00 174.62 174.58 1isy s TYR 852 N 0.72 3.19 0.56 4.92 5.04 -1.26 -0.92 117.35 129.61 1isy s TYR 852 Ca -0.08 0.38 -0.06 0.00 -2.44 0.00 0.00 57.07 54.86 1isy s TYR 852 Cb -0.16 -2.95 -0.01 0.00 0.35 0.00 0.00 41.96 39.19 1isy s TYR 852 CO 0.01 -0.50 0.88 0.95 -1.34 0.00 0.00 175.55 175.55 1isy s THR 853 N 2.49 4.21 0.60 4.34 -4.23 -0.38 -4.94 115.64 117.74 1isy s THR 853 Ca 0.22 0.18 0.38 0.00 -1.18 0.00 0.00 61.69 61.28 1isy s THR 853 Cb -0.15 -3.65 0.40 0.00 1.34 0.00 0.00 72.50 70.44 1isy s THR 853 CO 0.13 -0.68 2.30 0.44 -0.54 0.00 0.00 174.62 176.26 1isy h ASP 854 N -0.07 0.00 0.29 3.99 3.32 -1.97 0.78 116.42 122.76 1isy h ASP 854 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1isy h ASP 854 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1isy h ASP 854 CO 0.61 0.01 -0.08 0.00 -1.72 0.00 0.00 179.24 178.06 1isy n ALA 855 N -2.19 2.71 -0.29 3.45 0.00 -1.26 -0.67 120.51 122.27 1isy n ALA 855 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1isy n ALA 855 Cb 0.09 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1isy n ALA 855 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1isy n GLY 856 N 1.23 0.85 3.89 0.00 0.00 0.27 -4.80 105.19 106.63 1isy n GLY 856 Ca 0.16 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1isy n GLY 856 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1isy s GLU 857 N -0.69 3.66 -0.48 1.61 2.02 -1.26 0.36 118.70 123.92 1isy s GLU 857 Ca 0.00 0.26 0.03 0.00 0.02 0.00 0.00 54.97 55.28 1isy s GLU 857 Cb 0.00 -2.44 0.13 0.00 0.10 0.00 0.00 34.13 31.91 1isy s GLU 857 CO 0.00 -0.04 0.23 -0.51 0.02 0.00 0.00 175.26 174.96 1isy s LEU 858 N -4.12 4.63 0.20 1.80 1.43 -1.26 -1.25 118.68 120.11 1isy s LEU 858 Ca 0.48 -2.71 -0.09 0.00 -1.03 0.00 0.00 54.13 50.78 1isy s LEU 858 Cb -0.10 -1.68 -0.07 0.00 0.03 0.00 0.00 46.19 44.37 1isy s LEU 858 CO 0.36 -0.31 0.51 -0.13 0.23 0.00 0.00 176.35 177.01 1isy s ARG 859 N 0.14 3.78 0.03 1.70 0.52 -0.10 -1.43 118.95 123.59 1isy s ARG 859 Ca 0.15 0.22 0.02 0.00 -0.52 0.00 0.00 55.73 55.60 1isy s ARG 859 Cb -0.23 -2.73 -0.02 0.00 0.52 0.00 0.00 34.95 32.49 1isy s ARG 859 CO -0.03 0.37 -0.06 0.54 0.02 0.00 0.00 175.30 176.15 1isy s VAL 860 N -1.73 0.41 0.00 3.52 0.11 -0.17 -0.91 120.40 121.63 1isy s VAL 860 Ca 0.44 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.62 1isy s VAL 860 Cb -0.12 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 1isy s VAL 860 CO 0.21 -0.32 0.00 -1.22 -3.33 0.00 0.00 175.10 170.45 1isy n TYR 861 N 1.78 0.00 0.00 1.54 4.01 -1.26 -1.75 117.16 121.48 1isy n TYR 861 Ca -0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 1isy n TYR 861 Cb 0.55 -0.76 0.00 0.00 -0.31 0.00 0.00 39.34 38.82 1isy n TYR 861 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1isy n GLY 862 N -2.00 3.06 0.36 2.72 0.00 -1.26 -4.77 105.19 103.30 1isy n GLY 862 Ca 0.00 -0.88 0.03 0.00 0.00 0.00 0.00 46.02 45.16 1isy n GLY 862 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1isy n ASP 863 N 0.71 0.68 -4.62 1.61 2.03 -1.22 -5.02 116.55 110.71 1isy n ASP 863 Ca 0.00 -2.28 -0.33 0.00 0.52 0.00 0.00 54.79 52.70 1isy n ASP 863 Cb 0.00 -0.26 -0.10 0.00 -0.72 0.00 0.00 41.12 40.04 1isy n ASP 863 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1isy s LYS 864 N -0.82 2.67 -0.00 -0.67 -0.14 -0.71 -2.80 119.74 117.27 1isy s LYS 864 Ca 0.09 -0.65 0.06 0.00 -1.36 0.00 0.00 55.97 54.12 1isy s LYS 864 Cb 0.08 -2.58 -0.02 0.00 -1.68 0.00 0.00 37.83 33.64 1isy s LYS 864 CO 0.01 0.62 -0.20 0.00 -0.76 0.00 0.00 175.35 175.02 1isy s LEU 866 N -0.63 4.40 0.00 0.00 2.96 -0.52 -1.32 118.68 123.59 1isy s LEU 866 Ca 0.08 2.56 0.05 0.00 -0.22 0.00 0.00 54.13 56.59 1isy s LEU 866 Cb -0.08 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.06 1isy s LEU 866 CO -0.00 -1.02 -0.15 -0.62 -1.32 0.00 0.00 176.35 173.24 1isy s ASP 867 N 4.05 1.81 -0.19 3.68 -1.08 0.21 -4.49 116.67 120.66 1isy s ASP 867 Ca 0.84 -0.33 -0.03 0.00 -0.52 0.00 0.00 52.55 52.50 1isy s ASP 867 Cb -0.40 -0.18 -0.02 0.00 -1.46 0.00 0.00 42.92 40.86 1isy s ASP 867 CO 0.38 0.15 -0.05 0.00 0.52 0.00 0.00 175.17 176.17 1isy s ALA 868 N -0.50 2.85 -1.18 3.66 0.00 -0.79 -0.17 121.76 125.63 1isy s ALA 868 Ca 0.05 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 50.95 1isy s ALA 868 Cb -0.07 -1.59 0.19 0.00 0.00 0.00 0.00 23.12 21.65 1isy s ALA 868 CO 0.00 -0.13 2.20 0.00 0.00 0.00 0.00 175.76 177.83 1isy n ALA 869 N 4.22 6.54 0.00 0.00 0.00 -1.13 -4.89 120.51 125.25 1isy n ALA 869 Ca -0.18 -4.22 0.00 0.00 0.00 0.00 0.00 53.44 49.04 1isy n ALA 869 Cb 0.52 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.44 1isy n ALA 869 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1isy n GLY 870 N 1.03 0.02 0.00 0.00 0.00 -1.26 -4.70 105.19 100.27 1isy n GLY 870 Ca 0.57 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1isy n GLY 870 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1isy n THR 871 N -1.05 0.00 -2.95 2.61 -2.24 -1.26 -4.87 114.28 104.51 1isy n THR 871 Ca 0.00 -0.34 -0.19 0.00 -2.27 0.00 0.00 64.05 61.26 1isy n THR 871 Cb 0.00 1.20 0.04 0.00 -2.10 0.00 0.00 70.33 69.47 1isy n THR 871 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1isy s GLY 872 N -0.26 1.85 0.44 3.38 0.00 -1.26 -4.81 107.32 106.67 1isy s GLY 872 Ca 0.00 -1.79 -0.25 0.00 0.00 0.00 0.00 44.72 42.68 1isy s GLY 872 CO 0.00 -1.49 1.31 0.70 0.00 0.00 0.00 173.10 173.62 1isy n ASN 873 N -2.09 2.72 0.00 1.64 3.02 -1.26 -2.07 115.26 117.22 1isy n ASN 873 Ca 0.11 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.76 1isy n ASN 873 Cb 0.60 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.24 1isy n ASN 873 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1isy n GLY 874 N 0.76 2.63 3.55 7.41 0.00 0.48 -4.98 105.19 115.05 1isy n GLY 874 Ca 0.06 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.56 1isy n GLY 874 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1isy n THR 875 N -2.00 0.48 -2.18 2.61 -1.04 -0.88 -4.55 114.28 106.73 1isy n THR 875 Ca 0.00 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.05 61.47 1isy n THR 875 Cb 0.00 -0.58 -0.03 0.00 -1.82 0.00 0.00 70.33 67.90 1isy n THR 875 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1isy s LYS 876 N -0.06 4.35 -0.28 -2.82 2.20 -1.26 -0.94 119.74 120.93 1isy s LYS 876 Ca 0.80 2.09 -0.09 0.00 -0.36 0.00 0.00 55.97 58.41 1isy s LYS 876 Cb -0.98 -3.21 -0.03 0.00 -1.51 0.00 0.00 37.83 32.10 1isy s LYS 876 CO 0.52 -0.34 0.13 0.08 -0.36 0.00 0.00 175.35 175.38 1isy s VAL 877 N 0.48 4.72 0.00 4.02 1.01 -0.99 -2.84 120.40 126.80 1isy s VAL 877 Ca 0.60 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1isy s VAL 877 Cb -0.37 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1isy s VAL 877 CO 0.36 0.22 0.00 0.00 0.00 0.00 0.00 175.10 175.68 1isy n GLN 878 N 4.99 0.94 -4.59 2.72 10.64 0.76 -1.51 117.38 131.33 1isy n GLN 878 Ca -0.15 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 54.71 1isy n GLN 878 Cb 0.51 0.00 -0.12 0.00 -0.86 0.00 0.00 30.24 29.77 1isy n GLN 878 CO 0.00 0.00 0.00 0.96 -1.83 0.00 0.00 177.06 176.19 1isy s ILE 879 N -1.23 3.17 0.06 -0.39 -4.36 -0.80 0.63 121.20 118.29 1isy s ILE 879 Ca 0.00 -0.99 -0.19 0.00 -0.26 0.00 0.00 60.65 59.21 1isy s ILE 879 Cb 0.00 -2.35 0.04 0.00 1.25 0.00 0.00 42.46 41.40 1isy s ILE 879 CO 0.00 0.37 0.44 -0.47 0.24 0.00 0.00 174.94 175.52 1isy s TYR 880 N -0.95 -0.30 0.15 1.37 5.04 -0.43 -0.84 117.35 121.40 1isy s TYR 880 Ca 0.16 0.24 -0.34 0.00 -2.44 0.00 0.00 57.07 54.68 1isy s TYR 880 Cb -0.11 0.26 -0.15 0.00 0.35 0.00 0.00 41.96 42.31 1isy s TYR 880 CO 0.06 -0.61 1.36 0.43 -1.34 0.00 0.00 175.55 175.44 1isy n SER 881 N 0.35 2.08 -4.73 4.32 7.64 -1.26 -0.42 113.62 121.60 1isy n SER 881 Ca -0.18 1.12 -0.42 0.00 1.01 0.00 0.00 58.87 60.41 1isy n SER 881 Cb 0.61 -1.29 -0.03 0.00 -1.01 0.00 0.00 64.21 62.48 1isy n SER 881 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1isy n TRP 883 N 3.17 0.00 -0.32 0.00 4.27 -1.26 -5.04 117.44 118.26 1isy n TRP 883 Ca 0.08 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.69 1isy n TRP 883 Cb 0.43 0.01 0.00 0.00 -1.36 0.00 0.00 31.31 30.38 1isy n TRP 883 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1isy n GLY 884 N 0.00 0.75 3.72 -1.67 0.00 -1.26 -5.06 105.19 101.67 1isy n GLY 884 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1isy n GLY 884 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1isy s GLY 885 N -1.68 2.57 0.60 -0.02 0.00 -1.26 -4.85 107.32 102.68 1isy s GLY 885 Ca 0.00 1.06 0.39 0.00 0.00 0.00 0.00 44.72 46.18 1isy s GLY 885 CO 0.00 1.49 2.19 -0.55 0.00 0.00 0.00 173.10 176.23 1isy h ASP 886 N -0.04 0.00 0.00 1.64 3.32 -1.97 0.20 116.42 119.56 1isy h ASP 886 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1isy h ASP 886 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1isy h ASP 886 CO 0.50 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.56 1isy n ASN 887 N -2.99 0.00 0.00 6.45 6.94 -1.26 -2.22 115.26 122.19 1isy n ASN 887 Ca -0.02 -1.55 0.00 0.00 -0.02 0.00 0.00 54.58 53.00 1isy n ASN 887 Cb 0.14 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 1isy n ASN 887 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1isy n GLN 888 N -0.71 0.77 -4.19 -3.83 6.02 0.68 -1.89 117.38 114.22 1isy n GLN 888 Ca 0.10 -0.84 -0.35 0.00 -0.01 0.00 0.00 57.00 55.90 1isy n GLN 888 Cb 0.05 -0.90 -0.09 0.00 1.02 0.00 0.00 30.24 30.32 1isy n GLN 888 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1isy s LYS 889 N -0.39 3.28 0.07 -1.09 -0.14 -0.94 -4.20 119.74 116.34 1isy s LYS 889 Ca 0.00 -0.33 0.04 0.00 -1.36 0.00 0.00 55.97 54.32 1isy s LYS 889 Cb 0.00 -2.96 -0.03 0.00 -1.68 0.00 0.00 37.83 33.16 1isy s LYS 889 CO 0.00 0.64 -0.11 -1.58 -0.76 0.00 0.00 175.35 173.54 1isy s TRP 890 N -0.68 1.05 -0.15 3.18 0.52 0.16 -1.13 118.94 121.88 1isy s TRP 890 Ca 0.11 -0.53 -0.03 0.00 0.02 0.00 0.00 56.10 55.68 1isy s TRP 890 Cb -0.12 -0.59 -0.02 0.00 -1.15 0.00 0.00 33.47 31.59 1isy s TRP 890 CO 0.02 0.01 -0.07 1.03 0.02 0.00 0.00 176.95 177.97 1isy s ARG 891 N -2.04 3.54 -0.79 4.98 0.52 0.66 -4.57 118.95 121.26 1isy s ARG 891 Ca -0.01 -0.59 -0.17 0.00 -0.52 0.00 0.00 55.73 54.44 1isy s ARG 891 Cb -0.08 -2.83 0.16 0.00 0.52 0.00 0.00 34.95 32.72 1isy s ARG 891 CO 0.01 0.18 0.85 -0.51 0.02 0.00 0.00 175.30 175.85 1isy s LEU 892 N 0.49 5.90 0.47 2.53 1.43 -1.26 -1.11 118.68 127.12 1isy s LEU 892 Ca -0.05 -2.16 -0.23 0.00 -1.03 0.00 0.00 54.13 50.66 1isy s LEU 892 Cb -0.15 -2.29 -0.07 0.00 0.03 0.00 0.00 46.19 43.71 1isy s LEU 892 CO 0.03 -0.86 1.26 0.20 0.23 0.00 0.00 176.35 177.21 1isy s ASN 893 N 3.02 5.93 0.57 2.29 0.01 -0.06 -4.91 114.94 121.80 1isy s ASN 893 Ca 0.20 2.53 0.28 0.00 -0.71 0.00 0.00 52.86 55.16 1isy s ASN 893 Cb -0.13 -2.62 1.69 0.00 0.41 0.00 0.00 41.25 40.60 1isy s ASN 893 CO -0.05 -1.10 2.21 0.77 -1.51 0.00 0.00 177.10 177.42 1isy h SER 894 N 2.03 0.00 0.00 -1.22 4.64 -1.95 -1.47 113.55 115.58 1isy h SER 894 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1isy h SER 894 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1isy h SER 894 CO 0.60 0.02 0.00 -0.90 -0.87 0.00 0.00 176.83 175.68 1isy n ASP 895 N -3.90 0.06 0.00 4.97 5.68 -1.26 -4.85 116.55 117.25 1isy n ASP 895 Ca -0.03 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.38 1isy n ASP 895 Cb 0.11 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 1isy n ASP 895 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1isy n GLY 896 N 0.41 1.54 3.84 6.12 0.00 -0.55 -4.80 105.19 111.75 1isy n GLY 896 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1isy n GLY 896 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1isy s SER 897 N -3.18 6.83 -0.23 1.61 1.04 -1.25 0.55 113.70 119.06 1isy s SER 897 Ca 0.00 1.31 -0.00 0.00 0.48 0.00 0.00 55.95 57.73 1isy s SER 897 Cb 0.00 -2.38 0.03 0.00 0.10 0.00 0.00 66.02 63.77 1isy s SER 897 CO 0.00 -0.16 -0.10 -0.63 0.98 0.00 0.00 173.24 173.33 1isy s ILE 898 N -1.89 2.55 -0.10 -1.02 1.01 -1.26 -0.88 121.20 119.61 1isy s ILE 898 Ca 0.52 -1.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.03 1isy s ILE 898 Cb -0.12 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 1isy s ILE 898 CO 0.18 0.24 -0.02 -0.69 0.00 0.00 0.00 174.94 174.65 1isy s VAL 899 N 1.27 4.12 0.03 2.92 1.01 -0.27 -1.42 120.40 128.06 1isy s VAL 899 Ca -0.00 -0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 1isy s VAL 899 Cb -0.16 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 1isy s VAL 899 CO -0.07 0.57 1.20 -0.83 0.00 0.00 0.00 175.10 175.98 1isy s GLY 900 N -0.56 2.34 0.09 4.51 0.00 0.17 -0.24 107.32 113.63 1isy s GLY 900 Ca 0.09 0.79 -0.27 0.00 0.00 0.00 0.00 44.72 45.33 1isy s GLY 900 CO 0.02 2.09 1.67 -2.08 0.00 0.00 0.00 173.10 174.80 1isy h VAL 901 N 4.65 0.60 -0.59 1.40 2.07 -1.27 0.67 116.25 123.78 1isy h VAL 901 Ca -0.40 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 1isy h VAL 901 Cb 1.20 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1isy h VAL 901 CO 0.83 0.00 0.03 -0.61 0.02 0.00 0.00 177.57 177.84 1isy h GLN 902 N -0.43 1.03 0.00 1.57 4.15 -1.73 -3.29 115.11 116.41 1isy h GLN 902 Ca -0.01 -0.31 -0.15 0.00 0.77 0.00 0.00 58.65 58.94 1isy h GLN 902 Cb 0.38 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 1isy h GLN 902 CO -0.01 1.00 -1.31 0.66 -1.93 0.00 0.00 178.83 177.24 1isy h SER 903 N 0.93 0.00 -0.16 -0.69 4.64 -1.84 -3.48 113.55 112.94 1isy h SER 903 Ca 0.17 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.42 1isy h SER 903 Cb 0.52 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.58 1isy h SER 903 CO 0.02 0.54 -0.06 0.61 -0.87 0.00 0.00 176.83 177.07 1isy n GLY 904 N 1.37 0.57 3.85 -0.77 0.00 0.23 -4.98 105.19 105.46 1isy n GLY 904 Ca -0.08 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 1isy n GLY 904 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1isy s LEU 905 N -0.77 3.99 0.17 0.99 1.02 -1.24 -4.74 118.68 118.11 1isy s LEU 905 Ca 0.00 -0.02 -0.11 0.00 0.02 0.00 0.00 54.13 54.02 1isy s LEU 905 Cb 0.00 -2.59 -0.07 0.00 0.02 0.00 0.00 46.19 43.55 1isy s LEU 905 CO 0.00 0.07 0.52 0.00 0.02 0.00 0.00 176.35 176.96 1isy s LEU 907 N -2.35 4.37 -0.05 0.00 1.43 -0.51 -1.27 118.68 120.30 1isy s LEU 907 Ca 0.41 2.54 -0.00 0.00 -1.03 0.00 0.00 54.13 56.06 1isy s LEU 907 Cb -0.13 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.52 1isy s LEU 907 CO 0.20 -0.77 -0.01 -0.62 0.23 0.00 0.00 176.35 175.38 1isy s ASP 908 N 1.07 1.18 -0.31 2.29 -1.08 0.34 -4.43 116.67 115.73 1isy s ASP 908 Ca 0.68 -0.08 -0.29 0.00 -0.52 0.00 0.00 52.55 52.34 1isy s ASP 908 Cb -0.42 -0.38 -0.01 0.00 -1.46 0.00 0.00 42.92 40.65 1isy s ASP 908 CO 0.32 -0.14 1.50 0.00 0.52 0.00 0.00 175.17 177.37 1isy s ALA 909 N 1.54 3.18 0.15 3.66 0.00 -0.93 -0.58 121.76 128.78 1isy s ALA 909 Ca -0.02 0.18 -0.33 0.00 0.00 0.00 0.00 51.96 51.79 1isy s ALA 909 Cb -0.13 -3.88 -0.17 0.00 0.00 0.00 0.00 23.12 18.95 1isy s ALA 909 CO -0.03 -2.11 1.06 0.28 0.00 0.00 0.00 175.76 174.96 1isy n VAL 910 N 6.67 0.91 -1.18 0.00 0.31 -0.78 -1.43 118.33 122.83 1isy n VAL 910 Ca 0.18 -0.23 -0.10 0.00 -0.01 0.00 0.00 64.34 64.18 1isy n VAL 910 Cb 0.46 -0.59 -0.04 0.00 -0.91 0.00 0.00 33.84 32.76 1isy n VAL 910 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1isy n GLY 911 N 1.92 0.93 2.63 2.92 0.00 -1.26 -0.17 105.19 112.16 1isy n GLY 911 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1isy n GLY 911 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1isy n GLY 912 N 0.05 0.32 3.30 -0.02 0.00 -0.52 -4.95 105.19 103.37 1isy n GLY 912 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 1isy n GLY 912 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1isy n GLY 913 N -1.31 -2.72 0.00 -0.02 0.00 0.76 -4.94 105.19 96.96 1isy n GLY 913 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1isy n GLY 913 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1isy n THR 914 N -2.33 0.00 -2.11 2.61 -2.24 -1.26 -4.84 114.28 104.11 1isy n THR 914 Ca 0.06 -0.04 -0.29 0.00 -2.27 0.00 0.00 64.05 61.51 1isy n THR 914 Cb 0.51 0.38 0.03 0.00 -2.10 0.00 0.00 70.33 69.14 1isy n THR 914 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1isy s ALA 915 N -0.53 3.12 0.64 6.98 0.00 -1.26 -4.82 121.76 125.89 1isy s ALA 915 Ca 0.00 -0.38 -0.17 0.00 0.00 0.00 0.00 51.96 51.41 1isy s ALA 915 Cb 0.00 -2.88 -0.07 0.00 0.00 0.00 0.00 23.12 20.17 1isy s ALA 915 CO 0.00 -0.82 0.44 0.09 0.00 0.00 0.00 175.76 175.47 1isy n ASN 916 N -2.73 -1.46 0.00 0.00 3.02 -1.26 -1.99 115.26 110.85 1isy n ASN 916 Ca 0.05 0.66 0.00 0.00 -0.03 0.00 0.00 54.58 55.26 1isy n ASN 916 Cb 0.56 -1.15 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 1isy n ASN 916 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1isy n GLY 917 N 1.84 1.87 3.69 7.41 0.00 -0.46 -4.98 105.19 114.56 1isy n GLY 917 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1isy n GLY 917 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1isy s THR 918 N -3.00 3.10 0.57 2.61 2.01 -0.84 -4.76 115.64 115.33 1isy s THR 918 Ca 0.00 0.55 -0.11 0.00 0.31 0.00 0.00 61.69 62.45 1isy s THR 918 Cb 0.00 -3.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 1isy s THR 918 CO 0.00 -0.00 0.96 -0.76 -0.69 0.00 0.00 174.62 174.13 1isy s LEU 919 N 2.58 3.39 -0.11 4.42 1.43 -1.26 0.03 118.68 129.15 1isy s LEU 919 Ca 0.73 1.33 -0.02 0.00 -1.03 0.00 0.00 54.13 55.14 1isy s LEU 919 Cb -0.39 -4.34 -0.03 0.00 0.03 0.00 0.00 46.19 41.47 1isy s LEU 919 CO 0.32 -0.75 -0.04 -0.63 0.23 0.00 0.00 176.35 175.47 1isy s ILE 920 N -2.98 3.91 0.28 -0.59 -1.09 -0.85 -1.86 121.20 118.03 1isy s ILE 920 Ca 0.54 -0.38 0.04 0.00 -2.23 0.00 0.00 60.65 58.61 1isy s ILE 920 Cb -0.11 -2.66 -0.04 0.00 -1.58 0.00 0.00 42.46 38.08 1isy s ILE 920 CO 0.48 0.56 0.20 0.00 -1.23 0.00 0.00 174.94 174.95 1isy s GLN 921 N -0.36 1.54 0.07 2.79 -2.07 0.25 -2.34 119.66 119.55 1isy s GLN 921 Ca 0.06 -1.87 -0.05 0.00 -1.82 0.00 0.00 55.36 51.67 1isy s GLN 921 Cb -0.12 0.17 -0.05 0.00 -1.09 0.00 0.00 33.01 31.92 1isy s GLN 921 CO 0.02 -0.51 0.32 -0.51 -1.32 0.00 0.00 175.29 173.29 1isy s LEU 922 N -3.31 4.33 -0.08 2.60 1.43 -0.12 0.13 118.68 123.66 1isy s LEU 922 Ca 0.38 0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 53.74 1isy s LEU 922 Cb 0.05 -2.99 0.09 0.00 0.03 0.00 0.00 46.19 43.37 1isy s LEU 922 CO 0.20 0.16 0.81 -0.47 0.23 0.00 0.00 176.35 177.27 1isy s TYR 923 N -1.48 -0.52 -0.12 0.29 5.04 -0.40 -0.39 117.35 119.78 1isy s TYR 923 Ca 0.34 0.84 -0.38 0.00 -2.44 0.00 0.00 57.07 55.43 1isy s TYR 923 Cb -0.13 0.44 -0.16 0.00 0.35 0.00 0.00 41.96 42.47 1isy s TYR 923 CO 0.21 -0.52 1.61 0.45 -1.34 0.00 0.00 175.55 175.96 1isy n SER 924 N 0.69 2.26 -4.67 4.32 2.88 -1.26 -1.16 113.62 116.69 1isy n SER 924 Ca -0.15 1.08 -0.47 0.00 -1.33 0.00 0.00 58.87 58.00 1isy n SER 924 Cb 0.58 -1.19 -0.04 0.00 -0.75 0.00 0.00 64.21 62.81 1isy n SER 924 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1isy n SER 926 N 4.13 0.34 -0.73 0.00 3.41 -1.26 -4.99 113.62 114.52 1isy n SER 926 Ca 0.18 -0.66 -0.09 0.00 -0.26 0.00 0.00 58.87 58.04 1isy n SER 926 Cb 0.28 0.64 -0.04 0.00 -0.26 0.00 0.00 64.21 64.83 1isy n SER 926 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1isy n ASN 927 N -0.64 -4.18 -4.86 4.04 2.85 -1.26 -4.99 115.26 106.22 1isy n ASN 927 Ca 0.00 0.23 -0.31 0.00 -0.11 0.00 0.00 54.58 54.40 1isy n ASN 927 Cb 0.00 -2.52 0.02 0.00 1.24 0.00 0.00 39.78 38.53 1isy n ASN 927 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1isy s GLY 928 N -2.87 1.66 0.59 8.20 0.00 -1.26 -4.92 107.32 108.72 1isy s GLY 928 Ca 0.00 -0.08 0.37 0.00 0.00 0.00 0.00 44.72 45.01 1isy s GLY 928 CO 0.00 0.21 2.11 1.48 0.00 0.00 0.00 173.10 176.90 1isy h SER 929 N -0.44 0.00 0.10 1.64 4.64 -1.94 -0.33 113.55 117.22 1isy h SER 929 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1isy h SER 929 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1isy h SER 929 CO 0.61 0.01 -0.06 -0.46 -0.87 0.00 0.00 176.83 176.06 1isy n ASN 930 N -3.12 0.97 -0.04 4.97 6.94 -1.26 -1.42 115.26 122.30 1isy n ASN 930 Ca -0.01 -1.14 0.00 0.00 -0.02 0.00 0.00 54.58 53.42 1isy n ASN 930 Cb 0.23 0.01 0.01 0.00 -2.36 0.00 0.00 39.78 37.66 1isy n ASN 930 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1isy n GLN 931 N -0.37 -0.08 -4.25 -3.83 6.02 -0.21 -2.19 117.38 112.47 1isy n GLN 931 Ca 0.18 -0.76 -0.35 0.00 -0.01 0.00 0.00 57.00 56.06 1isy n GLN 931 Cb 0.30 -1.02 -0.09 0.00 1.02 0.00 0.00 30.24 30.46 1isy n GLN 931 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1isy s ARG 932 N -0.26 3.06 -0.01 -1.09 0.52 -0.73 -4.19 118.95 116.26 1isy s ARG 932 Ca 0.01 -0.37 0.03 0.00 -0.52 0.00 0.00 55.73 54.88 1isy s ARG 932 Cb 0.01 -2.87 -0.01 0.00 0.52 0.00 0.00 34.95 32.60 1isy s ARG 932 CO 0.01 0.71 -0.09 -1.58 0.02 0.00 0.00 175.30 174.37 1isy s TRP 933 N -0.95 0.82 -0.17 -0.53 0.52 0.19 -2.29 118.94 116.53 1isy s TRP 933 Ca 0.15 -0.16 0.01 0.00 0.02 0.00 0.00 56.10 56.12 1isy s TRP 933 Cb -0.12 -0.53 0.02 0.00 -1.15 0.00 0.00 33.47 31.70 1isy s TRP 933 CO 0.04 -0.01 -0.20 -0.08 0.02 0.00 0.00 176.95 176.72 1isy s THR 934 N -0.24 2.02 0.53 2.01 -1.32 0.43 -4.58 115.64 114.49 1isy s THR 934 Ca 0.03 -0.92 -0.10 0.00 -1.21 0.00 0.00 61.69 59.49 1isy s THR 934 Cb -0.04 -1.82 -0.05 0.00 -1.51 0.00 0.00 72.50 69.08 1isy s THR 934 CO -0.00 0.54 0.90 -0.13 -2.21 0.00 0.00 174.62 173.72 1isy s ARG 935 N 1.21 3.66 0.00 7.08 0.52 -1.26 -1.66 118.95 128.50 1isy s ARG 935 Ca 0.03 0.56 0.00 0.00 -0.52 0.00 0.00 55.73 55.80 1isy s ARG 935 Cb -0.13 -2.23 0.00 0.00 0.52 0.00 0.00 34.95 33.10 1isy s ARG 935 CO -0.11 -0.32 0.00 2.41 0.02 0.00 0.00 175.30 177.30