#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1isx n GLU 502 N 0.00 0.00 0.00 0.00 0.28 -1.26 -2.92 120.64 116.74 1isx n GLU 502 Ca 0.00 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.08 1isx n GLU 502 Cb 0.00 -1.10 -0.05 0.00 1.43 0.00 0.00 31.44 31.72 1isx n GLU 502 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1isx n SER 503 N 0.62 1.09 -4.24 -1.84 3.41 -1.26 -4.83 113.62 106.57 1isx n SER 503 Ca 0.00 -1.04 -0.20 0.00 -0.26 0.00 0.00 58.87 57.37 1isx n SER 503 Cb 0.00 0.79 -0.12 0.00 -0.26 0.00 0.00 64.21 64.62 1isx n SER 503 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1isx s THR 504 N -2.24 1.39 0.17 6.66 -4.23 -1.15 -5.04 115.64 111.19 1isx s THR 504 Ca 0.09 -1.56 -0.15 0.00 -1.18 0.00 0.00 61.69 58.89 1isx s THR 504 Cb 0.12 -1.41 0.05 0.00 1.34 0.00 0.00 72.50 72.60 1isx s THR 504 CO 0.54 -0.26 1.74 -0.07 -0.54 0.00 0.00 174.62 176.03 1isx h LEU 505 N 3.89 0.08 -0.14 4.79 3.38 -1.87 0.19 115.31 125.63 1isx h LEU 505 Ca -0.42 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1isx h LEU 505 Cb 1.19 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1isx h LEU 505 CO 0.44 0.08 0.09 1.23 0.09 0.00 0.00 178.44 180.37 1isx h GLY 506 N 0.25 0.19 1.55 0.83 0.00 -1.01 0.70 103.07 105.57 1isx h GLY 506 Ca 0.19 -0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.36 1isx h GLY 506 CO -0.22 0.07 -0.17 0.00 0.00 0.00 0.00 176.54 176.22 1isx h ALA 507 N 1.04 1.15 -0.07 3.60 0.00 -1.75 -0.81 119.26 122.42 1isx h ALA 507 Ca 0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1isx h ALA 507 Cb -0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1isx h ALA 507 CO -0.01 0.54 -0.03 0.00 0.00 0.00 0.00 179.25 179.75 1isx h ALA 508 N 1.33 0.09 -0.96 0.00 0.00 -0.74 -2.91 119.26 116.07 1isx h ALA 508 Ca 0.08 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.88 1isx h ALA 508 Cb 0.57 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 1isx h ALA 508 CO 0.04 -0.17 0.61 0.00 0.00 0.00 0.00 179.25 179.73 1isx h ALA 509 N 0.64 1.58 0.00 0.00 0.00 -0.63 0.14 119.26 120.99 1isx h ALA 509 Ca 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1isx h ALA 509 Cb 0.45 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1isx h ALA 509 CO 0.01 0.19 -0.00 0.00 0.00 0.00 0.00 179.25 179.45 1isx h ALA 510 N 1.54 1.25 0.00 0.00 0.00 -0.71 -1.11 119.26 120.23 1isx h ALA 510 Ca 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1isx h ALA 510 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1isx h ALA 510 CO -0.23 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.07 1isx n GLN 511 N -3.45 0.13 -0.09 0.00 6.02 0.04 -1.75 117.38 118.28 1isx n GLN 511 Ca -0.03 0.38 0.03 0.00 -0.01 0.00 0.00 57.00 57.37 1isx n GLN 511 Cb 0.08 -1.76 0.08 0.00 1.02 0.00 0.00 30.24 29.66 1isx n GLN 511 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1isx n SER 512 N -2.02 2.44 0.00 1.08 3.41 -0.49 -4.96 113.62 113.08 1isx n SER 512 Ca 0.02 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 1isx n SER 512 Cb 0.20 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1isx n SER 512 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1isx n GLY 513 N -0.26 0.45 3.84 5.00 0.00 -0.72 -5.04 105.19 108.45 1isx n GLY 513 Ca 0.06 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 1isx n GLY 513 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1isx s ARG 514 N -0.89 2.26 0.35 1.61 0.52 -0.76 -4.96 118.95 117.09 1isx s ARG 514 Ca 0.00 -1.99 0.09 0.00 -0.52 0.00 0.00 55.73 53.30 1isx s ARG 514 Cb 0.00 -2.00 -0.07 0.00 0.52 0.00 0.00 34.95 33.40 1isx s ARG 514 CO 0.00 -0.41 -0.07 1.52 0.02 0.00 0.00 175.30 176.37 1isx s TYR 515 N -2.72 2.38 -0.10 -0.53 -0.85 -1.08 -2.28 117.35 112.17 1isx s TYR 515 Ca 0.33 -0.56 -0.03 0.00 -0.52 0.00 0.00 57.07 56.28 1isx s TYR 515 Cb -0.00 -1.45 0.04 0.00 0.38 0.00 0.00 41.96 40.94 1isx s TYR 515 CO 0.19 0.52 0.07 0.12 -1.52 0.00 0.00 175.55 174.93 1isx s PHE 516 N -2.68 0.17 0.28 -3.49 2.19 -1.26 -1.94 117.98 111.25 1isx s PHE 516 Ca 0.33 -0.04 0.00 0.00 0.33 0.00 0.00 56.93 57.55 1isx s PHE 516 Cb 0.04 -0.60 0.00 0.00 -1.31 0.00 0.00 43.02 41.15 1isx s PHE 516 CO 0.16 -0.35 0.01 0.41 1.83 0.00 0.00 175.22 177.28 1isx n GLY 517 N 5.28 3.82 3.42 13.12 0.00 0.12 -1.94 105.19 129.02 1isx n GLY 517 Ca -0.05 -2.30 -0.11 0.00 0.00 0.00 0.00 46.02 43.56 1isx n GLY 517 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1isx s THR 518 N -2.01 0.00 -0.20 2.61 -1.32 -0.99 -1.10 115.64 112.63 1isx s THR 518 Ca 0.00 -1.67 -0.13 0.00 -1.21 0.00 0.00 61.69 58.69 1isx s THR 518 Cb -0.00 -2.35 -0.05 0.00 -1.51 0.00 0.00 72.50 68.59 1isx s THR 518 CO 0.00 0.00 0.24 0.00 -2.21 0.00 0.00 174.62 172.66 1isx s ALA 519 N -4.02 3.61 -0.14 11.08 0.00 -1.10 -1.86 121.76 129.33 1isx s ALA 519 Ca 0.30 -0.63 -0.06 0.00 0.00 0.00 0.00 51.96 51.57 1isx s ALA 519 Cb 0.03 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 1isx s ALA 519 CO 0.11 -0.05 0.06 0.42 0.00 0.00 0.00 175.76 176.30 1isx s ILE 520 N 0.78 4.76 -0.32 0.00 -1.09 0.63 -4.14 121.20 121.82 1isx s ILE 520 Ca 0.13 -0.06 -0.09 0.00 -2.23 0.00 0.00 60.65 58.40 1isx s ILE 520 Cb -0.13 -3.09 0.00 0.00 -1.58 0.00 0.00 42.46 37.67 1isx s ILE 520 CO 0.04 0.54 0.13 0.00 -1.23 0.00 0.00 174.94 174.42 1isx s ALA 521 N -0.30 3.20 0.49 9.38 0.00 -1.26 -1.55 121.76 131.71 1isx s ALA 521 Ca 0.08 -1.47 0.25 0.00 0.00 0.00 0.00 51.96 50.82 1isx s ALA 521 Cb -0.12 -2.33 1.30 0.00 0.00 0.00 0.00 23.12 21.97 1isx s ALA 521 CO 0.02 -0.99 1.90 0.66 0.00 0.00 0.00 175.76 177.34 1isx h SER 522 N 8.32 0.17 0.35 0.00 4.64 -1.96 0.65 113.55 125.71 1isx h SER 522 Ca -0.31 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1isx h SER 522 Cb 1.13 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1isx h SER 522 CO 0.62 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 1isx n GLY 523 N -1.62 -0.88 0.37 -0.77 0.00 -1.26 -2.44 105.19 98.58 1isx n GLY 523 Ca 0.17 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.17 1isx n GLY 523 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1isx n LYS 524 N -1.29 1.44 0.12 1.61 5.02 0.22 -4.56 118.16 120.71 1isx n LYS 524 Ca 0.08 -0.91 0.11 0.00 -2.02 0.00 0.00 58.31 55.57 1isx n LYS 524 Cb 0.14 -1.18 0.48 0.00 -0.02 0.00 0.00 35.03 34.46 1isx n LYS 524 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1isx n LEU 525 N 0.18 0.55 -0.38 -0.35 4.77 -1.02 -1.09 117.00 119.66 1isx n LEU 525 Ca 0.06 0.68 0.13 0.00 -0.03 0.00 0.00 56.01 56.85 1isx n LEU 525 Cb 0.27 -0.65 0.45 0.00 -2.33 0.00 0.00 43.42 41.17 1isx n LEU 525 CO 0.12 -0.66 0.77 0.61 -1.33 0.00 0.00 177.39 176.90 1isx n GLY 526 N -0.49 -0.26 3.46 -0.72 0.00 -1.26 -4.70 105.19 101.22 1isx n GLY 526 Ca 0.01 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 1isx n GLY 526 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1isx s ASP 527 N -2.23 6.24 0.36 1.61 -1.08 -0.25 -4.92 116.67 116.40 1isx s ASP 527 Ca 0.32 -0.84 0.09 0.00 -0.52 0.00 0.00 52.55 51.60 1isx s ASP 527 Cb 0.20 -2.36 0.81 0.00 -1.46 0.00 0.00 42.92 40.11 1isx s ASP 527 CO 0.42 -1.14 1.88 0.28 0.52 0.00 0.00 175.17 177.12 1isx h SER 528 N 9.24 0.65 -0.70 -0.34 0.02 -1.85 -0.73 113.55 119.85 1isx h SER 528 Ca -0.28 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.65 1isx h SER 528 Cb 1.08 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.50 1isx h SER 528 CO 1.07 0.34 0.21 0.00 -1.14 0.00 0.00 176.83 177.31 1isx h ALA 529 N 1.60 0.91 0.39 3.77 0.00 -1.94 -0.33 119.26 123.66 1isx h ALA 529 Ca 0.43 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1isx h ALA 529 Cb 0.67 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1isx h ALA 529 CO -0.19 0.59 -0.19 -0.92 0.00 0.00 0.00 179.25 178.55 1isx h TYR 530 N 1.02 -0.49 -0.22 0.00 3.20 -1.53 -3.09 116.97 115.87 1isx h TYR 530 Ca 0.22 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 1isx h TYR 530 Cb 0.31 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 1isx h TYR 530 CO 0.02 -0.17 -0.01 1.79 -1.64 0.00 0.00 178.16 178.15 1isx h THR 531 N -0.82 1.15 -0.39 1.81 1.35 -1.15 -1.33 112.91 113.52 1isx h THR 531 Ca -0.05 -0.59 0.01 0.00 -0.55 0.00 0.00 66.41 65.22 1isx h THR 531 Cb 0.54 1.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.94 1isx h THR 531 CO 0.09 0.20 0.25 0.74 -0.25 0.00 0.00 175.52 176.55 1isx h THR 532 N 0.32 1.08 -0.01 6.82 2.02 -1.07 -0.07 112.91 122.00 1isx h THR 532 Ca 0.07 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1isx h THR 532 Cb 0.25 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1isx h THR 532 CO 0.01 0.09 -0.02 0.40 0.37 0.00 0.00 175.52 176.37 1isx h ILE 533 N 0.51 1.44 -0.20 3.11 2.04 -1.40 -2.90 117.51 120.11 1isx h ILE 533 Ca 0.15 -1.32 0.05 0.00 1.00 0.00 0.00 64.86 64.74 1isx h ILE 533 Cb -0.04 2.30 -0.05 0.00 -0.74 0.00 0.00 36.82 38.29 1isx h ILE 533 CO -0.04 0.35 -0.11 0.00 0.00 0.00 0.00 178.15 178.34 1isx h ALA 534 N 0.46 0.05 -0.69 1.87 0.00 -1.16 -0.36 119.26 119.43 1isx h ALA 534 Ca 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1isx h ALA 534 Cb 0.58 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1isx h ALA 534 CO 0.00 -0.54 0.34 1.03 0.00 0.00 0.00 179.25 180.09 1isx h SER 535 N -0.09 0.89 -0.28 0.00 0.87 -1.10 -2.78 113.55 111.05 1isx h SER 535 Ca 0.11 -0.12 -0.14 0.00 -1.23 0.00 0.00 61.79 60.41 1isx h SER 535 Cb 0.26 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1isx h SER 535 CO -0.26 0.76 -0.38 -0.09 -0.53 0.00 0.00 176.83 176.33 1isx h ARG 536 N 0.95 0.74 0.00 2.24 2.43 -1.26 -3.37 114.38 116.11 1isx h ARG 536 Ca 0.24 -0.43 -0.06 0.00 -0.81 0.00 0.00 59.98 58.91 1isx h ARG 536 Cb 0.10 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1isx h ARG 536 CO -0.03 1.06 -1.00 0.93 -1.51 0.00 0.00 179.97 179.42 1isx h GLU 537 N 0.49 0.00 -6.41 0.20 4.39 -1.06 -3.45 114.58 108.74 1isx h GLU 537 Ca 0.03 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.13 1isx h GLU 537 Cb 0.97 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 29.40 1isx h GLU 537 CO 0.09 0.14 -0.84 -0.06 -1.16 0.00 0.00 179.01 177.18 1isx s PHE 538 N -3.17 1.96 -0.08 4.33 0.08 -1.05 -0.47 117.98 119.57 1isx s PHE 538 Ca -0.00 -0.41 0.12 0.00 0.12 0.00 0.00 56.93 56.77 1isx s PHE 538 Cb 0.09 -1.07 0.19 0.00 -0.57 0.00 0.00 43.02 41.66 1isx s PHE 538 CO 0.78 0.25 1.09 0.27 -0.10 0.00 0.00 175.22 177.52 1isx n ASN 539 N 1.02 2.19 -3.81 1.36 0.23 -0.82 -4.82 115.26 110.62 1isx n ASN 539 Ca -0.19 -2.70 -0.13 0.00 -0.53 0.00 0.00 54.58 51.03 1isx n ASN 539 Cb 0.53 -0.28 -0.13 0.00 -2.08 0.00 0.00 39.78 37.82 1isx n ASN 539 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 1isx s MET 540 N -2.21 0.16 -0.02 -3.83 0.00 -1.24 -2.00 119.30 110.17 1isx s MET 540 Ca 0.21 0.25 0.03 0.00 0.00 0.00 0.00 55.69 56.18 1isx s MET 540 Cb 0.18 0.04 -0.00 0.00 0.00 0.00 0.00 34.83 35.05 1isx s MET 540 CO 0.02 -0.05 -0.11 0.08 0.00 0.00 0.00 175.02 174.96 1isx s VAL 541 N 0.29 0.92 -0.04 10.11 1.01 -0.09 -2.35 120.40 130.25 1isx s VAL 541 Ca -0.02 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.56 1isx s VAL 541 Cb -0.03 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 1isx s VAL 541 CO -0.01 0.27 -0.22 -0.89 0.00 0.00 0.00 175.10 174.25 1isx s THR 542 N -0.03 1.81 -0.10 3.92 2.01 -0.78 -0.80 115.64 121.67 1isx s THR 542 Ca 0.00 -0.94 -0.30 0.00 0.31 0.00 0.00 61.69 60.76 1isx s THR 542 Cb -0.07 -1.52 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 1isx s THR 542 CO 0.00 0.51 1.12 0.00 -0.69 0.00 0.00 174.62 175.56 1isx s ALA 543 N -0.23 3.50 0.43 7.40 0.00 -1.26 -0.27 121.76 131.33 1isx s ALA 543 Ca 0.00 0.46 0.10 0.00 0.00 0.00 0.00 51.96 52.52 1isx s ALA 543 Cb -0.12 -3.50 0.94 0.00 0.00 0.00 0.00 23.12 20.44 1isx s ALA 543 CO 0.02 -0.78 2.05 1.49 0.00 0.00 0.00 175.76 178.54 1isx h GLU 544 N 7.39 0.35 0.00 0.00 4.81 -1.60 -3.40 114.58 122.13 1isx h GLU 544 Ca -0.30 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1isx h GLU 544 Cb 1.14 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1isx h GLU 544 CO 0.89 0.28 0.00 0.09 -0.73 0.00 0.00 179.01 179.54 1isx n ASN 545 N -4.45 0.00 0.32 1.04 3.02 -1.26 -4.96 115.26 108.97 1isx n ASN 545 Ca 0.01 0.00 0.20 0.00 -0.03 0.00 0.00 54.58 54.76 1isx n ASN 545 Cb 0.11 0.00 1.08 0.00 -0.61 0.00 0.00 39.78 40.36 1isx n ASN 545 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1isx h GLU 546 N 0.00 0.00 -0.37 3.52 3.07 -1.89 -2.42 114.58 116.49 1isx h GLU 546 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1isx h GLU 546 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1isx h GLU 546 CO 0.00 0.00 0.00 -1.33 -1.40 0.00 0.00 179.01 176.28 1isx n MET 547 N -3.17 2.88 -1.53 2.33 2.81 -1.25 -3.40 117.12 115.78 1isx n MET 547 Ca -0.02 -2.14 -0.29 0.00 -1.81 0.00 0.00 57.70 53.44 1isx n MET 547 Cb 0.16 -1.33 0.13 0.00 -0.71 0.00 0.00 33.22 31.48 1isx n MET 547 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1isx s LYS 548 N -1.11 1.23 0.14 0.03 1.02 -0.91 -3.44 119.74 116.70 1isx s LYS 548 Ca 0.26 0.33 -0.21 0.00 0.02 0.00 0.00 55.97 56.38 1isx s LYS 548 Cb 0.14 -1.85 0.00 0.00 -0.52 0.00 0.00 37.83 35.61 1isx s LYS 548 CO 0.16 -2.14 1.67 0.82 -0.92 0.00 0.00 175.35 174.94 1isx h ILE 549 N -1.46 0.60 -0.18 2.17 2.04 -1.77 -1.23 117.51 117.69 1isx h ILE 549 Ca -0.50 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.30 1isx h ILE 549 Cb 1.33 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1isx h ILE 549 CO 0.62 0.00 -0.15 -2.24 0.00 0.00 0.00 178.15 176.37 1isx h ASP 550 N -0.14 0.28 0.92 1.72 2.03 -1.82 -0.84 116.42 118.58 1isx h ASP 550 Ca 0.12 -0.07 -0.15 0.00 -0.73 0.00 0.00 57.03 56.20 1isx h ASP 550 Cb 0.31 -0.08 -0.02 0.00 -0.83 0.00 0.00 39.33 38.71 1isx h ASP 550 CO -0.28 0.46 -0.73 0.00 -1.03 0.00 0.00 179.24 177.66 1isx h ALA 551 N 1.57 0.68 0.00 4.15 0.00 -1.73 -3.26 119.26 120.66 1isx h ALA 551 Ca 0.05 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 1isx h ALA 551 Cb 0.44 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1isx h ALA 551 CO 0.03 0.92 -1.78 0.25 0.00 0.00 0.00 179.25 178.66 1isx n THR 552 N -3.50 0.26 -3.25 0.00 -2.24 -0.50 -4.57 114.28 100.48 1isx n THR 552 Ca -0.00 -0.54 -0.25 0.00 -2.27 0.00 0.00 64.05 60.99 1isx n THR 552 Cb 0.75 -0.13 -0.08 0.00 -2.10 0.00 0.00 70.33 68.78 1isx n THR 552 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1isx n GLU 553 N -2.40 0.54 -0.35 -0.78 2.13 -0.34 0.03 120.64 119.46 1isx n GLU 553 Ca -0.05 -3.18 0.13 0.00 0.66 0.00 0.00 57.16 54.72 1isx n GLU 553 Cb 0.61 -1.36 0.32 0.00 0.27 0.00 0.00 31.44 31.27 1isx n GLU 553 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 1isx h PRO 554 N 4.53 0.73 -4.95 5.31 0.11 -1.60 -3.42 132.00 132.71 1isx h PRO 554 Ca 0.13 -0.04 -0.33 0.00 0.11 0.00 0.00 66.00 65.87 1isx h PRO 554 Cb 0.89 -0.17 -0.19 0.00 0.11 0.00 0.00 31.00 31.64 1isx h PRO 554 CO 0.43 0.49 -0.74 -0.65 -0.21 0.00 0.00 178.00 177.31 1isx s GLN 555 N -5.86 0.77 -0.05 1.05 -1.52 -1.25 -4.82 119.66 107.97 1isx s GLN 555 Ca -0.11 -1.02 -0.32 0.00 -1.95 0.00 0.00 55.36 51.96 1isx s GLN 555 Cb 0.25 -0.54 -0.10 0.00 -0.22 0.00 0.00 33.01 32.40 1isx s GLN 555 CO 0.80 0.10 1.98 -2.13 -0.25 0.00 0.00 175.29 175.78 1isx n ARG 556 N 0.92 2.46 -0.24 2.91 0.63 -1.26 -1.45 116.66 120.63 1isx n ARG 556 Ca -0.19 0.88 0.00 0.00 -0.92 0.00 0.00 57.85 57.62 1isx n ARG 556 Cb 0.56 -2.88 0.00 0.00 0.45 0.00 0.00 32.46 30.59 1isx n ARG 556 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1isx n GLY 557 N 4.70 1.22 3.21 5.14 0.00 -1.26 -5.01 105.19 113.18 1isx n GLY 557 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 1isx n GLY 557 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1isx s GLN 558 N -0.47 2.41 0.13 1.61 0.74 -0.53 -5.09 119.66 118.46 1isx s GLN 558 Ca 0.00 -1.43 -0.12 0.00 0.05 0.00 0.00 55.36 53.86 1isx s GLN 558 Cb 0.00 -3.50 -0.07 0.00 1.10 0.00 0.00 33.01 30.54 1isx s GLN 558 CO 0.00 -0.83 0.50 -0.06 -0.55 0.00 0.00 175.29 174.35 1isx s PHE 559 N 1.30 3.58 -0.05 1.67 0.08 -1.26 -3.45 117.98 119.84 1isx s PHE 559 Ca 0.01 0.95 -0.02 0.00 0.12 0.00 0.00 56.93 57.99 1isx s PHE 559 Cb -0.21 -2.29 0.03 0.00 -0.57 0.00 0.00 43.02 39.98 1isx s PHE 559 CO -0.00 0.44 0.04 1.21 -0.10 0.00 0.00 175.22 176.81 1isx s ASN 560 N -1.81 1.32 -0.07 1.36 3.84 0.10 -4.96 114.94 114.72 1isx s ASN 560 Ca 0.37 0.01 0.11 0.00 0.21 0.00 0.00 52.86 53.56 1isx s ASN 560 Cb -0.14 -0.26 0.19 0.00 -0.55 0.00 0.00 41.25 40.49 1isx s ASN 560 CO 0.19 -0.23 1.12 0.49 -2.79 0.00 0.00 177.10 175.88 1isx n PHE 561 N 5.24 0.11 -0.15 0.43 3.72 -1.26 -4.02 117.46 121.53 1isx n PHE 561 Ca -0.05 -0.75 -0.08 0.00 -0.05 0.00 0.00 57.45 56.52 1isx n PHE 561 Cb 0.50 -0.11 0.01 0.00 -0.94 0.00 0.00 39.48 38.93 1isx n PHE 561 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1isx h SER 562 N 0.29 0.55 -0.22 4.37 4.64 -1.95 0.18 113.55 121.41 1isx h SER 562 Ca 0.00 -0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 61.19 1isx h SER 562 Cb 0.81 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 1isx h SER 562 CO 0.02 0.46 -0.10 0.00 -0.87 0.00 0.00 176.83 176.34 1isx h ALA 563 N 1.12 0.31 -0.69 5.18 0.00 -1.87 -2.54 119.26 120.76 1isx h ALA 563 Ca 0.16 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1isx h ALA 563 Cb 0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1isx h ALA 563 CO -0.03 0.14 0.18 0.78 0.00 0.00 0.00 179.25 180.33 1isx h GLY 564 N 0.17 1.18 1.73 0.00 0.00 -1.54 -2.86 103.07 101.74 1isx h GLY 564 Ca 0.05 -0.72 -0.09 0.00 0.00 0.00 0.00 47.33 46.57 1isx h GLY 564 CO 0.03 0.67 -0.32 -0.55 0.00 0.00 0.00 176.54 176.37 1isx h ASP 565 N 1.04 0.31 -0.51 0.19 5.19 -0.64 -0.69 116.42 121.32 1isx h ASP 565 Ca 0.22 -0.11 0.01 0.00 -0.62 0.00 0.00 57.03 56.53 1isx h ASP 565 Cb 0.34 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 39.74 1isx h ASP 565 CO -0.00 0.63 0.33 0.03 -3.12 0.00 0.00 179.24 177.11 1isx h ARG 566 N 0.27 0.66 0.07 3.56 3.08 -1.22 0.51 114.38 121.30 1isx h ARG 566 Ca 0.04 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1isx h ARG 566 Cb 0.71 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1isx h ARG 566 CO 0.05 0.44 -0.03 0.28 -1.07 0.00 0.00 179.97 179.64 1isx h VAL 567 N 0.68 1.14 -0.09 2.04 2.07 -1.40 -2.64 116.25 118.05 1isx h VAL 567 Ca 0.19 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 67.00 1isx h VAL 567 Cb -0.07 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 1isx h VAL 567 CO -0.05 0.18 -0.16 0.22 0.02 0.00 0.00 177.57 177.79 1isx h TYR 568 N -0.43 -0.41 -0.59 1.57 3.20 -0.82 -1.16 116.97 118.32 1isx h TYR 568 Ca -0.01 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.96 1isx h TYR 568 Cb 0.37 0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.78 1isx h TYR 568 CO 0.04 -0.23 0.25 -0.91 -1.64 0.00 0.00 178.16 175.67 1isx h ASN 569 N -0.22 0.30 -0.80 -2.11 2.35 -0.03 -1.33 115.58 113.74 1isx h ASN 569 Ca 0.08 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 1isx h ASN 569 Cb 0.34 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.68 1isx h ASN 569 CO -0.22 0.19 0.43 -0.25 -1.65 0.00 0.00 177.43 175.93 1isx h TRP 570 N 0.47 1.11 0.08 1.19 7.01 -1.09 -1.32 115.95 123.39 1isx h TRP 570 Ca 0.29 -0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.25 1isx h TRP 570 Cb 0.30 -0.35 0.00 0.00 -2.10 0.00 0.00 29.16 27.00 1isx h TRP 570 CO -0.14 0.78 -0.04 0.00 -2.79 0.00 0.00 178.44 176.26 1isx h ALA 571 N 1.22 -0.10 -0.17 2.65 0.00 -0.17 -2.39 119.26 120.30 1isx h ALA 571 Ca 0.28 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 1isx h ALA 571 Cb 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1isx h ALA 571 CO -0.04 -0.53 -0.48 -0.39 0.00 0.00 0.00 179.25 177.81 1isx h VAL 572 N -0.16 1.32 0.00 0.00 -1.51 -1.24 0.20 116.25 114.86 1isx h VAL 572 Ca -0.01 -1.69 -0.01 0.00 -1.23 0.00 0.00 66.70 63.76 1isx h VAL 572 Cb 0.13 1.71 -0.00 0.00 -2.13 0.00 0.00 31.29 31.00 1isx h VAL 572 CO 0.02 0.52 -0.04 -0.61 -1.23 0.00 0.00 177.57 176.23 1isx h GLN 573 N 0.36 0.00 -0.34 5.19 5.75 -1.16 -1.73 115.11 123.18 1isx h GLN 573 Ca 0.02 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.42 1isx h GLN 573 Cb 0.98 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.47 1isx h GLN 573 CO 0.09 0.04 0.01 0.09 -2.65 0.00 0.00 178.83 176.40 1isx n ASN 574 N -3.41 3.36 -2.35 -0.69 3.02 -0.91 -4.97 115.26 109.31 1isx n ASN 574 Ca -0.02 -3.35 -0.18 0.00 -0.03 0.00 0.00 54.58 51.00 1isx n ASN 574 Cb 0.16 -0.60 0.02 0.00 -0.61 0.00 0.00 39.78 38.75 1isx n ASN 574 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1isx n GLY 575 N -0.78 -0.30 3.57 7.41 0.00 -0.65 -5.02 105.19 109.42 1isx n GLY 575 Ca 0.28 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1isx n GLY 575 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1isx s LYS 576 N -5.32 2.33 0.72 1.61 3.01 0.67 -4.88 119.74 117.87 1isx s LYS 576 Ca 0.19 -0.87 -0.07 0.00 -1.01 0.00 0.00 55.97 54.20 1isx s LYS 576 Cb -0.08 -2.38 0.06 0.00 -1.01 0.00 0.00 37.83 34.42 1isx s LYS 576 CO 0.23 0.56 1.03 -0.65 0.51 0.00 0.00 175.35 177.03 1isx s GLN 577 N -1.71 2.18 -0.02 1.68 -0.21 -0.85 -3.93 119.66 116.80 1isx s GLN 577 Ca 0.18 -0.21 0.03 0.00 0.02 0.00 0.00 55.36 55.38 1isx s GLN 577 Cb -0.11 -2.14 -0.00 0.00 1.00 0.00 0.00 33.01 31.76 1isx s GLN 577 CO 0.10 -1.28 -0.09 0.08 -2.12 0.00 0.00 175.29 171.98 1isx s VAL 578 N -3.28 0.78 -0.24 1.09 1.01 -1.26 -0.92 120.40 117.58 1isx s VAL 578 Ca 0.60 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 62.12 1isx s VAL 578 Cb -0.11 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1isx s VAL 578 CO 0.45 0.23 0.10 -0.13 0.00 0.00 0.00 175.10 175.76 1isx s ARG 579 N 0.04 3.83 0.00 2.72 0.52 0.02 -1.80 118.95 124.28 1isx s ARG 579 Ca -0.01 -0.39 -0.29 0.00 -0.52 0.00 0.00 55.73 54.52 1isx s ARG 579 Cb -0.07 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 31.99 1isx s ARG 579 CO 0.00 -0.05 0.94 0.20 0.02 0.00 0.00 175.30 176.41 1isx s GLY 580 N 1.29 2.88 -0.07 -3.53 0.00 0.14 -4.20 107.32 103.82 1isx s GLY 580 Ca 0.06 0.48 -0.03 0.00 0.00 0.00 0.00 44.72 45.23 1isx s GLY 580 CO 0.05 1.59 0.13 -1.58 0.00 0.00 0.00 173.10 173.29 1isx s HIS 581 N 0.88 -0.11 -0.00 1.90 5.04 -1.26 -0.54 115.29 121.20 1isx s HIS 581 Ca 0.49 0.51 -0.10 0.00 -1.54 0.00 0.00 55.06 54.42 1isx s HIS 581 Cb -0.21 -0.32 0.01 0.00 0.04 0.00 0.00 32.58 32.10 1isx s HIS 581 CO 0.27 -0.26 0.21 -0.08 -2.34 0.00 0.00 174.74 172.54 1isx s THR 582 N 2.26 0.07 0.01 0.89 -1.32 -1.22 -3.19 115.64 113.14 1isx s THR 582 Ca 0.04 -0.61 -0.10 0.00 -1.21 0.00 0.00 61.69 59.81 1isx s THR 582 Cb -0.12 -0.50 -0.32 0.00 -1.51 0.00 0.00 72.50 70.05 1isx s THR 582 CO -0.05 -0.33 0.91 -0.07 -2.21 0.00 0.00 174.62 172.87 1isx h LEU 583 N 4.11 0.62 -7.66 9.08 3.38 -1.39 -3.35 115.31 120.11 1isx h LEU 583 Ca -0.30 -0.76 -0.47 0.00 0.09 0.00 0.00 57.88 56.44 1isx h LEU 583 Cb 1.19 -0.20 -0.36 0.00 0.09 0.00 0.00 40.66 41.37 1isx h LEU 583 CO 0.40 1.61 -0.79 0.00 0.09 0.00 0.00 178.44 179.76 1isx s ALA 584 N -2.61 0.98 -0.14 1.53 0.00 0.76 -4.71 121.76 117.58 1isx s ALA 584 Ca -0.10 -0.30 -0.29 0.00 0.00 0.00 0.00 51.96 51.27 1isx s ALA 584 Cb 0.05 -0.73 0.09 0.00 0.00 0.00 0.00 23.12 22.54 1isx s ALA 584 CO 0.89 -0.31 0.81 -0.46 0.00 0.00 0.00 175.76 176.70 1isx s TRP 585 N 1.55 -0.58 -0.51 0.00 -0.00 -1.26 -1.31 118.94 116.83 1isx s TRP 585 Ca 0.00 1.12 0.26 0.00 -0.00 0.00 0.00 56.10 57.48 1isx s TRP 585 Cb -0.13 0.39 0.74 0.00 -0.00 0.00 0.00 33.47 34.48 1isx s TRP 585 CO -0.05 -0.46 1.74 1.12 -0.00 0.00 0.00 176.95 179.31 1isx h HIS 586 N 3.33 0.00 -2.64 5.86 2.07 -1.88 -3.44 115.15 118.45 1isx h HIS 586 Ca -0.25 0.00 -0.56 0.00 -2.85 0.00 0.00 60.37 56.71 1isx h HIS 586 Cb 1.15 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.08 1isx h HIS 586 CO 0.35 0.00 -0.53 0.45 -3.07 0.00 0.00 177.93 175.13 1isx s SER 587 N -5.15 5.81 -1.49 3.10 0.15 -1.26 -4.59 113.70 110.27 1isx s SER 587 Ca 0.08 -0.03 -0.08 0.00 0.70 0.00 0.00 55.95 56.61 1isx s SER 587 Cb 0.09 -1.61 0.06 0.00 -1.71 0.00 0.00 66.02 62.86 1isx s SER 587 CO 0.59 0.06 0.75 0.00 1.20 0.00 0.00 173.24 175.83 1isx n GLN 588 N -0.44 -4.39 -3.41 5.44 6.02 -1.26 -4.90 117.38 114.44 1isx n GLN 588 Ca -0.08 0.51 -0.37 0.00 -0.01 0.00 0.00 57.00 57.05 1isx n GLN 588 Cb 0.54 -5.11 -0.06 0.00 1.02 0.00 0.00 30.24 26.63 1isx n GLN 588 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1isx s GLN 589 N -6.53 4.00 0.76 -1.09 -0.21 -1.26 -2.98 119.66 112.35 1isx s GLN 589 Ca 0.38 0.51 -0.14 0.00 0.02 0.00 0.00 55.36 56.12 1isx s GLN 589 Cb -0.20 -3.15 0.05 0.00 1.00 0.00 0.00 33.01 30.71 1isx s GLN 589 CO 0.86 0.63 1.20 -1.25 -2.12 0.00 0.00 175.29 174.61 1isx s PRO 590 N -1.32 1.97 0.25 2.91 0.04 -1.26 -4.69 135.00 132.90 1isx s PRO 590 Ca 0.29 1.75 -0.04 0.00 0.04 0.00 0.00 61.00 63.03 1isx s PRO 590 Cb -0.17 -1.81 0.51 0.00 0.04 0.00 0.00 34.50 33.06 1isx s PRO 590 CO 0.17 -1.96 1.67 0.78 0.04 0.00 0.00 177.00 177.70 1isx h GLY 591 N -0.52 1.07 1.63 0.56 0.00 -1.96 -0.67 103.07 103.18 1isx h GLY 591 Ca -0.47 -0.02 0.05 0.00 0.00 0.00 0.00 47.33 46.88 1isx h GLY 591 CO 0.48 -0.24 0.15 0.11 0.00 0.00 0.00 176.54 177.04 1isx h TRP 592 N 0.25 0.07 0.15 5.60 5.08 -1.89 -2.22 115.95 122.98 1isx h TRP 592 Ca 0.44 0.00 -0.30 0.00 1.08 0.00 0.00 58.89 60.12 1isx h TRP 592 Cb 0.79 -0.02 0.01 0.00 -3.00 0.00 0.00 29.16 26.93 1isx h TRP 592 CO -0.28 0.04 -1.38 1.98 -1.28 0.00 0.00 178.44 177.52 1isx h MET 593 N 0.07 0.32 0.00 0.12 4.05 -1.47 -3.30 114.93 114.72 1isx h MET 593 Ca 0.10 -0.54 -0.00 0.00 -0.28 0.00 0.00 59.70 58.97 1isx h MET 593 Cb 0.29 0.20 -0.00 0.00 -0.80 0.00 0.00 31.60 31.29 1isx h MET 593 CO -0.01 1.23 -0.01 1.96 0.23 0.00 0.00 176.91 180.31 1isx h GLN 594 N 0.09 0.00 -0.03 0.39 4.20 -0.90 -0.94 115.11 117.91 1isx h GLN 594 Ca -0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1isx h GLN 594 Cb 2.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.80 1isx h GLN 594 CO 0.21 0.01 0.00 -1.13 -0.67 0.00 0.00 178.83 177.25 1isx n SER 595 N -4.37 0.76 -4.92 1.46 3.41 -1.06 -4.88 113.62 104.02 1isx n SER 595 Ca -0.03 -1.33 -0.28 0.00 -0.26 0.00 0.00 58.87 56.98 1isx n SER 595 Cb 0.10 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 1isx n SER 595 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1isx s LEU 596 N -1.89 4.15 0.21 1.04 1.43 -0.36 -5.10 118.68 118.16 1isx s LEU 596 Ca 0.40 0.52 -0.18 0.00 -1.03 0.00 0.00 54.13 53.84 1isx s LEU 596 Cb 0.20 -3.32 0.03 0.00 0.03 0.00 0.00 46.19 43.13 1isx s LEU 596 CO 0.32 -0.12 0.56 -0.94 0.23 0.00 0.00 176.35 176.40 1isx s SER 597 N -3.21 -0.27 1.00 2.29 1.04 -1.26 -4.83 113.70 108.45 1isx s SER 597 Ca 0.41 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1isx s SER 597 Cb -0.11 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1isx s SER 597 CO 0.30 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 174.03 1isx n GLY 598 N -0.36 1.01 0.37 7.32 0.00 -1.26 -2.73 105.19 109.54 1isx n GLY 598 Ca -0.09 -0.66 0.13 0.00 0.00 0.00 0.00 46.02 45.40 1isx n GLY 598 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1isx h SER 599 N 6.45 0.43 -0.81 1.61 4.64 -1.96 0.69 113.55 124.60 1isx h SER 599 Ca 0.00 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 1isx h SER 599 Cb 0.00 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 61.98 1isx h SER 599 CO 0.00 0.24 0.37 0.74 -0.87 0.00 0.00 176.83 177.30 1isx h THR 600 N 0.46 1.26 -0.09 2.95 2.02 -1.99 -1.13 112.91 116.40 1isx h THR 600 Ca 0.34 -0.75 -0.16 0.00 0.77 0.00 0.00 66.41 66.61 1isx h THR 600 Cb 0.70 0.24 0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1isx h THR 600 CO -0.11 0.32 -0.56 0.25 0.37 0.00 0.00 175.52 175.79 1isx h LEU 601 N 1.17 0.64 -0.52 2.58 6.46 -0.87 -2.67 115.31 122.09 1isx h LEU 601 Ca 0.28 -0.66 0.10 0.00 -0.12 0.00 0.00 57.88 57.47 1isx h LEU 601 Cb 0.15 -0.19 -0.08 0.00 -0.73 0.00 0.00 40.66 39.82 1isx h LEU 601 CO -0.03 1.20 0.08 -0.09 -0.62 0.00 0.00 178.44 178.98 1isx h ARG 602 N 0.12 0.20 -0.23 1.25 9.65 -0.59 0.20 114.38 124.99 1isx h ARG 602 Ca -0.05 -0.01 -0.14 0.00 -1.10 0.00 0.00 59.98 58.69 1isx h ARG 602 Cb 1.21 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.74 1isx h ARG 602 CO 0.11 0.13 -0.43 0.37 2.80 0.00 0.00 179.97 182.96 1isx h GLN 603 N 0.21 0.55 -0.78 0.20 5.75 -1.27 -2.16 115.11 117.61 1isx h GLN 603 Ca 0.27 -0.29 -0.04 0.00 -0.15 0.00 0.00 58.65 58.44 1isx h GLN 603 Cb 0.38 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.91 1isx h GLN 603 CO -0.37 0.87 0.34 0.00 -2.65 0.00 0.00 178.83 177.02 1isx h ALA 604 N 1.09 1.01 -0.29 3.38 0.00 -0.92 0.40 119.26 123.94 1isx h ALA 604 Ca 0.03 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1isx h ALA 604 Cb 0.93 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1isx h ALA 604 CO 0.08 0.62 0.11 1.98 0.00 0.00 0.00 179.25 182.04 1isx h MET 605 N 1.12 0.25 -0.31 0.00 1.85 -0.32 0.18 114.93 117.70 1isx h MET 605 Ca 0.26 -0.01 -0.04 0.00 -0.61 0.00 0.00 59.70 59.30 1isx h MET 605 Cb 0.18 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.14 1isx h MET 605 CO -0.03 0.16 0.04 0.82 -0.40 0.00 0.00 176.91 177.51 1isx h ILE 606 N 0.25 1.24 -0.83 1.77 2.04 -0.96 -2.16 117.51 118.86 1isx h ILE 606 Ca 0.12 -0.85 0.01 0.00 1.00 0.00 0.00 64.86 65.14 1isx h ILE 606 Cb 0.07 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 1isx h ILE 606 CO -0.11 0.28 0.54 0.44 0.00 0.00 0.00 178.15 179.30 1isx h ASP 607 N 0.35 0.96 -0.27 1.72 3.32 0.19 -1.80 116.42 120.89 1isx h ASP 607 Ca 0.09 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 1isx h ASP 607 Cb 0.37 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1isx h ASP 607 CO 0.01 0.70 0.05 -0.74 -1.72 0.00 0.00 179.24 177.54 1isx h HIS 608 N 1.13 0.46 -0.45 4.55 2.76 -0.43 -1.87 115.15 121.30 1isx h HIS 608 Ca 0.30 -0.06 0.03 0.00 -2.20 0.00 0.00 60.37 58.44 1isx h HIS 608 Cb -0.12 -0.13 -0.04 0.00 1.55 0.00 0.00 27.41 28.68 1isx h HIS 608 CO 0.00 0.53 0.24 0.82 -1.30 0.00 0.00 177.93 178.22 1isx h ILE 609 N 0.26 0.99 -0.48 6.26 2.04 -1.02 -1.76 117.51 123.80 1isx h ILE 609 Ca 0.08 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1isx h ILE 609 Cb 0.31 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1isx h ILE 609 CO 0.00 0.09 0.24 0.78 0.00 0.00 0.00 178.15 179.26 1isx h ASN 610 N 0.47 0.63 -0.04 1.72 2.35 -1.25 -2.06 115.58 117.40 1isx h ASN 610 Ca 0.19 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1isx h ASN 610 Cb 0.07 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 1isx h ASN 610 CO -0.12 0.57 0.02 1.23 -1.65 0.00 0.00 177.43 177.49 1isx h GLY 611 N 0.64 0.06 0.78 2.83 0.00 -1.01 -1.15 103.07 105.22 1isx h GLY 611 Ca 0.17 -0.02 -0.07 0.00 0.00 0.00 0.00 47.33 47.40 1isx h GLY 611 CO -0.02 0.02 -0.18 -2.08 0.00 0.00 0.00 176.54 174.29 1isx h VAL 612 N -0.01 1.34 -0.18 4.60 2.07 -1.31 -2.64 116.25 120.12 1isx h VAL 612 Ca 0.01 -1.34 -0.09 0.00 0.82 0.00 0.00 66.70 66.10 1isx h VAL 612 Cb 0.06 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1isx h VAL 612 CO -0.00 0.40 -0.28 0.24 0.02 0.00 0.00 177.57 177.95 1isx h MET 613 N 0.06 0.35 -0.11 1.57 2.07 -1.44 -2.46 114.93 114.98 1isx h MET 613 Ca 0.03 -0.13 -0.00 0.00 -2.07 0.00 0.00 59.70 57.52 1isx h MET 613 Cb 0.72 -0.02 -0.00 0.00 -1.87 0.00 0.00 31.60 30.42 1isx h MET 613 CO 0.04 0.60 0.06 0.78 1.07 0.00 0.00 176.91 179.46 1isx h GLY 614 N 1.03 0.16 0.68 8.32 0.00 -1.19 0.53 103.07 112.60 1isx h GLY 614 Ca 0.05 -0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.38 1isx h GLY 614 CO 0.05 0.07 0.59 0.84 0.00 0.00 0.00 176.54 178.09 1isx h HIS 615 N 0.08 1.09 -0.68 5.60 6.17 -1.23 -2.60 115.15 123.58 1isx h HIS 615 Ca 0.04 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.15 1isx h HIS 615 Cb 0.07 -0.35 0.00 0.00 2.52 0.00 0.00 27.41 29.65 1isx h HIS 615 CO -0.04 0.54 0.00 0.66 0.71 0.00 0.00 177.93 179.79 1isx n TYR 616 N -4.58 1.28 -1.66 5.26 4.01 -0.95 -5.01 117.16 115.51 1isx n TYR 616 Ca 0.15 -0.57 -0.53 0.00 -0.16 0.00 0.00 57.90 56.78 1isx n TYR 616 Cb 0.21 -0.15 -0.06 0.00 -0.31 0.00 0.00 39.34 39.03 1isx n TYR 616 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1isx n LYS 617 N 1.31 1.37 -0.97 -0.72 4.81 0.18 -0.73 118.16 123.40 1isx n LYS 617 Ca 0.25 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 1isx n LYS 617 Cb 0.78 -2.19 0.00 0.00 0.02 0.00 0.00 35.03 33.64 1isx n LYS 617 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1isx n GLY 618 N 3.57 0.79 0.14 3.14 0.00 -1.26 -4.86 105.19 106.71 1isx n GLY 618 Ca 0.22 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.29 1isx n GLY 618 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1isx n LYS 619 N -2.20 2.81 -4.32 1.61 5.02 0.09 -4.99 118.16 116.17 1isx n LYS 619 Ca 0.00 -0.38 -0.34 0.00 -2.02 0.00 0.00 58.31 55.57 1isx n LYS 619 Cb 0.01 -1.01 -0.14 0.00 -0.02 0.00 0.00 35.03 33.87 1isx n LYS 619 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1isx s ILE 620 N -1.50 3.26 0.05 -0.18 -1.09 -1.24 -4.65 121.20 115.86 1isx s ILE 620 Ca 0.06 -0.56 -0.20 0.00 -2.23 0.00 0.00 60.65 57.73 1isx s ILE 620 Cb 0.07 -2.43 -0.13 0.00 -1.58 0.00 0.00 42.46 38.39 1isx s ILE 620 CO 0.28 0.48 1.38 0.00 -1.23 0.00 0.00 174.94 175.85 1isx h ALA 621 N 7.36 0.24 -3.34 9.38 0.00 -1.72 -3.40 119.26 127.79 1isx h ALA 621 Ca -0.34 -0.31 -0.26 0.00 0.00 0.00 0.00 54.91 54.00 1isx h ALA 621 Cb 1.18 -0.05 -0.23 0.00 0.00 0.00 0.00 17.79 18.69 1isx h ALA 621 CO 0.59 0.10 -0.73 -0.65 0.00 0.00 0.00 179.25 178.56 1isx s GLN 622 N -4.43 0.42 -0.08 0.00 -0.21 -1.24 -1.82 119.66 112.30 1isx s GLN 622 Ca -0.14 -0.54 0.03 0.00 0.02 0.00 0.00 55.36 54.73 1isx s GLN 622 Cb 0.06 -0.22 0.01 0.00 1.00 0.00 0.00 33.01 33.86 1isx s GLN 622 CO 0.75 0.04 -0.16 -1.58 -2.12 0.00 0.00 175.29 172.22 1isx s TRP 623 N -1.00 1.84 -1.00 0.91 0.52 -0.13 0.28 118.94 120.35 1isx s TRP 623 Ca -0.08 -0.71 -0.20 0.00 0.02 0.00 0.00 56.10 55.13 1isx s TRP 623 Cb -0.07 -1.29 0.10 0.00 -1.15 0.00 0.00 33.47 31.06 1isx s TRP 623 CO -0.00 -0.33 1.30 -0.51 0.02 0.00 0.00 176.95 177.44 1isx s ASP 624 N 0.55 6.62 0.09 2.95 1.01 0.30 -0.51 116.67 127.69 1isx s ASP 624 Ca -0.16 -1.91 -0.26 0.00 0.71 0.00 0.00 52.55 50.93 1isx s ASP 624 Cb -0.17 -2.47 -0.15 0.00 1.01 0.00 0.00 42.92 41.14 1isx s ASP 624 CO 0.06 -1.21 1.70 0.58 0.21 0.00 0.00 175.17 176.51 1isx h VAL 625 N 6.10 0.79 -4.23 -1.27 2.07 -1.51 -2.09 116.25 116.11 1isx h VAL 625 Ca 0.20 0.00 -0.65 0.00 0.82 0.00 0.00 66.70 67.08 1isx h VAL 625 Cb 1.00 0.79 -0.31 0.00 -1.52 0.00 0.00 31.29 31.26 1isx h VAL 625 CO 1.26 0.00 -0.87 -0.69 0.02 0.00 0.00 177.57 177.29 1isx s VAL 626 N -6.15 1.82 -0.06 2.57 1.01 -1.24 -0.17 120.40 118.19 1isx s VAL 626 Ca -0.14 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 60.92 1isx s VAL 626 Cb 0.06 -1.53 -0.00 0.00 0.00 0.00 0.00 36.38 34.90 1isx s VAL 626 CO 0.65 0.51 -0.18 0.21 0.00 0.00 0.00 175.10 176.29 1isx s ASN 627 N -0.30 2.35 -1.18 3.32 2.47 -0.42 -1.40 114.94 119.77 1isx s ASN 627 Ca 0.02 -0.39 -0.28 0.00 0.42 0.00 0.00 52.86 52.63 1isx s ASN 627 Cb -0.11 -0.77 0.02 0.00 -1.45 0.00 0.00 41.25 38.94 1isx s ASN 627 CO 0.01 0.15 0.73 -0.62 -3.72 0.00 0.00 177.10 173.66 1isx n GLU 628 N 3.26 -0.76 0.00 0.43 1.02 0.07 -4.49 120.64 120.17 1isx n GLU 628 Ca -0.19 0.27 0.13 0.00 -0.02 0.00 0.00 57.16 57.35 1isx n GLU 628 Cb 0.53 -3.34 0.32 0.00 -0.02 0.00 0.00 31.44 28.92 1isx n GLU 628 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1isx n ALA 629 N -4.62 2.94 -2.71 0.62 0.00 -1.26 -4.83 120.51 110.66 1isx n ALA 629 Ca -0.10 -0.49 -0.29 0.00 0.00 0.00 0.00 53.44 52.56 1isx n ALA 629 Cb 0.58 -1.05 -0.07 0.00 0.00 0.00 0.00 19.45 18.91 1isx n ALA 629 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1isx s PHE 630 N -2.29 3.01 0.75 0.00 0.40 -1.26 -0.65 117.98 117.94 1isx s PHE 630 Ca 0.28 -0.04 -0.11 0.00 -0.60 0.00 0.00 56.93 56.46 1isx s PHE 630 Cb 0.20 -1.51 0.04 0.00 0.51 0.00 0.00 43.02 42.26 1isx s PHE 630 CO 0.45 0.50 1.10 0.45 0.70 0.00 0.00 175.22 178.42 1isx s SER 631 N -2.58 4.97 0.00 1.36 0.15 -0.11 -4.41 113.70 113.08 1isx s SER 631 Ca 0.27 1.21 0.12 0.00 0.70 0.00 0.00 55.95 58.25 1isx s SER 631 Cb -0.11 -1.97 0.04 0.00 -1.71 0.00 0.00 66.02 62.27 1isx s SER 631 CO 0.20 -1.65 0.76 0.47 1.20 0.00 0.00 173.24 174.22 1isx n ASP 632 N -3.22 1.60 0.29 5.45 8.00 -1.26 -4.63 116.55 122.77 1isx n ASP 632 Ca 0.07 -1.30 0.16 0.00 0.71 0.00 0.00 54.79 54.43 1isx n ASP 632 Cb 0.57 0.27 0.83 0.00 -0.02 0.00 0.00 41.12 42.77 1isx n ASP 632 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 1isx h ASP 633 N 1.72 0.00 0.00 -2.24 3.04 -1.96 -3.45 116.42 113.53 1isx h ASP 633 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1isx h ASP 633 Cb 0.43 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.72 1isx h ASP 633 CO 0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 1isx n GLY 634 N -1.20 0.71 0.67 7.15 0.00 -1.26 -4.96 105.19 106.30 1isx n GLY 634 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.11 1isx n GLY 634 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1isx n SER 635 N 0.00 2.39 -1.22 1.61 3.41 -1.26 -4.55 113.62 114.00 1isx n SER 635 Ca 0.00 -1.69 -0.13 0.00 -0.26 0.00 0.00 58.87 56.79 1isx n SER 635 Cb 0.00 0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 64.20 1isx n SER 635 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1isx n GLY 636 N 1.36 0.59 2.40 5.00 0.00 -1.26 -4.86 105.19 108.43 1isx n GLY 636 Ca 0.11 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 1isx n GLY 636 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1isx n GLY 637 N -1.21 0.34 3.78 -0.02 0.00 -1.26 -4.54 105.19 102.28 1isx n GLY 637 Ca -0.14 -1.95 -0.36 0.00 0.00 0.00 0.00 46.02 43.57 1isx n GLY 637 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1isx s ARG 638 N -4.20 4.21 0.18 1.61 1.81 -1.26 -0.94 118.95 120.36 1isx s ARG 638 Ca 0.42 1.46 -0.30 0.00 -1.72 0.00 0.00 55.73 55.59 1isx s ARG 638 Cb -0.02 -2.54 -0.08 0.00 -0.45 0.00 0.00 34.95 31.86 1isx s ARG 638 CO 0.28 -0.09 1.26 0.50 -0.68 0.00 0.00 175.30 176.57 1isx s ARG 639 N -2.51 4.42 -0.46 3.54 3.52 0.18 -4.31 118.95 123.33 1isx s ARG 639 Ca 0.57 1.97 -0.29 0.00 -0.13 0.00 0.00 55.73 57.85 1isx s ARG 639 Cb -0.21 -3.23 0.03 0.00 -1.56 0.00 0.00 34.95 29.98 1isx s ARG 639 CO 0.26 -0.20 1.12 0.34 -0.81 0.00 0.00 175.30 176.00 1isx s ASP 640 N 0.37 6.65 0.24 -2.12 2.15 -1.26 -4.65 116.67 118.05 1isx s ASP 640 Ca 0.56 0.50 -0.02 0.00 0.43 0.00 0.00 52.55 54.02 1isx s ASP 640 Cb -0.34 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 39.70 1isx s ASP 640 CO 0.36 -1.20 0.24 -0.94 -0.17 0.00 0.00 175.17 173.46 1isx s SER 641 N 2.37 0.40 0.40 -0.34 1.04 -1.26 -5.01 113.70 111.31 1isx s SER 641 Ca 0.47 -1.37 0.08 0.00 0.48 0.00 0.00 55.95 55.60 1isx s SER 641 Cb -0.08 0.47 0.84 0.00 0.10 0.00 0.00 66.02 67.35 1isx s SER 641 CO 0.30 -0.96 2.02 -0.55 0.98 0.00 0.00 173.24 175.03 1isx h ASN 642 N 2.44 0.41 0.14 7.02 -1.07 -1.93 -0.82 115.58 121.78 1isx h ASN 642 Ca -0.32 -0.03 -0.01 0.00 0.07 0.00 0.00 56.30 56.02 1isx h ASN 642 Cb 1.25 -0.10 0.00 0.00 -2.07 0.00 0.00 38.32 37.39 1isx h ASN 642 CO 0.46 0.36 -0.07 -0.07 0.07 0.00 0.00 177.43 178.18 1isx h LEU 643 N 0.47 -0.16 -1.71 6.14 3.38 -1.95 -2.94 115.31 118.54 1isx h LEU 643 Ca 0.12 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1isx h LEU 643 Cb 0.05 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1isx h LEU 643 CO -0.02 0.13 -0.01 -0.61 0.09 0.00 0.00 178.44 178.02 1isx h GLN 644 N -0.45 0.16 0.00 1.13 5.75 -1.74 -1.47 115.11 118.49 1isx h GLN 644 Ca -0.02 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1isx h GLN 644 Cb 0.36 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.87 1isx h GLN 644 CO 0.03 0.19 0.00 0.54 -2.65 0.00 0.00 178.83 176.94 1isx n ARG 645 N -4.43 0.29 0.10 1.69 1.74 -0.34 -1.74 116.66 113.97 1isx n ARG 645 Ca -0.01 0.09 0.13 0.00 -0.77 0.00 0.00 57.85 57.29 1isx n ARG 645 Cb 0.15 -1.50 0.29 0.00 -1.02 0.00 0.00 32.46 30.39 1isx n ARG 645 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1isx h THR 646 N 0.00 0.00 0.00 0.55 1.35 -1.15 -3.43 112.91 110.24 1isx h THR 646 Ca 0.00 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1isx h THR 646 Cb 0.19 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1isx h THR 646 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1isx n GLY 647 N 1.29 4.81 0.36 5.82 0.00 -0.71 -4.88 105.19 111.88 1isx n GLY 647 Ca 0.04 -1.08 0.19 0.00 0.00 0.00 0.00 46.02 45.17 1isx n GLY 647 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1isx h ASN 648 N 0.00 0.00 -0.02 1.61 -1.24 -1.92 -1.75 115.58 112.26 1isx h ASN 648 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1isx h ASN 648 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1isx h ASN 648 CO 0.00 0.00 0.00 -0.90 -1.29 0.00 0.00 177.43 175.24 1isx n ASP 649 N -3.73 0.15 -0.18 1.15 5.75 -1.26 -4.23 116.55 114.20 1isx n ASP 649 Ca 0.04 -1.57 -0.01 0.00 -0.01 0.00 0.00 54.79 53.25 1isx n ASP 649 Cb 0.48 -0.01 0.22 0.00 -1.03 0.00 0.00 41.12 40.78 1isx n ASP 649 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 1isx h TRP 650 N 0.19 0.92 -0.11 2.11 5.08 -1.64 -1.47 115.95 121.02 1isx h TRP 650 Ca 0.00 -0.02 -0.01 0.00 1.08 0.00 0.00 58.89 59.94 1isx h TRP 650 Cb 0.04 -0.29 -0.00 0.00 -3.00 0.00 0.00 29.16 25.90 1isx h TRP 650 CO 0.01 0.65 0.02 0.82 -1.28 0.00 0.00 178.44 178.66 1isx h ILE 651 N 0.94 1.21 -0.54 0.12 2.04 -1.85 -0.82 117.51 118.60 1isx h ILE 651 Ca 0.24 -0.66 0.06 0.00 1.00 0.00 0.00 64.86 65.50 1isx h ILE 651 Cb 0.05 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 1isx h ILE 651 CO -0.04 0.19 0.25 -0.08 0.00 0.00 0.00 178.15 178.47 1isx h GLU 652 N -0.03 0.45 -0.85 2.37 4.81 -1.79 -1.62 114.58 117.92 1isx h GLU 652 Ca 0.04 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1isx h GLU 652 Cb 0.28 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 1isx h GLU 652 CO 0.00 0.30 0.43 0.28 -0.73 0.00 0.00 179.01 179.30 1isx h VAL 653 N 0.47 1.26 -0.71 0.32 2.07 -1.06 -1.50 116.25 117.09 1isx h VAL 653 Ca 0.25 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1isx h VAL 653 Cb 0.22 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1isx h VAL 653 CO -0.21 0.30 0.40 0.00 0.02 0.00 0.00 177.57 178.08 1isx h ALA 654 N 1.27 0.91 -0.29 1.67 0.00 -0.29 0.12 119.26 122.65 1isx h ALA 654 Ca 0.30 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 1isx h ALA 654 Cb 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1isx h ALA 654 CO -0.04 0.41 -0.45 0.74 0.00 0.00 0.00 179.25 179.91 1isx h PHE 655 N 0.98 0.92 -0.43 0.00 0.04 -0.95 -0.08 116.94 117.42 1isx h PHE 655 Ca 0.25 -0.29 -0.10 0.00 2.80 0.00 0.00 57.97 60.63 1isx h PHE 655 Cb 0.01 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 37.96 1isx h PHE 655 CO -0.01 1.07 -0.10 0.00 -0.60 0.00 0.00 178.31 178.67 1isx h ARG 656 N 0.61 0.83 -0.38 1.51 3.08 -1.07 -1.05 114.38 117.90 1isx h ARG 656 Ca 0.04 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1isx h ARG 656 Cb 1.01 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 1isx h ARG 656 CO 0.10 0.94 0.24 1.15 -1.07 0.00 0.00 179.97 181.34 1isx h THR 657 N 0.66 1.11 -0.38 2.04 2.02 -0.84 -2.74 112.91 114.78 1isx h THR 657 Ca 0.11 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1isx h THR 657 Cb 0.64 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1isx h THR 657 CO 0.04 0.11 0.20 0.00 0.37 0.00 0.00 175.52 176.24 1isx h ALA 658 N 1.12 0.49 -0.54 6.16 0.00 -0.83 -1.61 119.26 124.05 1isx h ALA 658 Ca 0.14 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.04 1isx h ALA 658 Cb -0.03 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.54 1isx h ALA 658 CO -0.03 0.03 0.17 -0.09 0.00 0.00 0.00 179.25 179.33 1isx h ARG 659 N 0.48 0.33 -0.21 0.00 9.65 -1.04 -1.21 114.38 122.38 1isx h ARG 659 Ca 0.13 -0.02 -0.11 0.00 -1.10 0.00 0.00 59.98 58.88 1isx h ARG 659 Cb 0.08 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 1isx h ARG 659 CO -0.02 0.22 -0.35 0.00 2.80 0.00 0.00 179.97 182.62 1isx h ALA 660 N 1.38 1.01 -0.39 2.80 0.00 -1.36 -2.04 119.26 120.66 1isx h ALA 660 Ca 0.27 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1isx h ALA 660 Cb 0.32 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1isx h ALA 660 CO -0.29 0.60 -0.19 0.00 0.00 0.00 0.00 179.25 179.37 1isx h ALA 661 N 1.25 0.92 -1.21 0.00 0.00 -0.32 -3.41 119.26 116.49 1isx h ALA 661 Ca 0.04 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.41 1isx h ALA 661 Cb 0.80 -0.16 -0.20 0.00 0.00 0.00 0.00 17.79 18.23 1isx h ALA 661 CO 0.06 0.62 -0.54 0.34 0.00 0.00 0.00 179.25 179.73 1isx s ASP 662 N -6.74 -0.97 0.34 0.00 2.15 -0.55 -4.66 116.67 106.24 1isx s ASP 662 Ca -0.09 -1.59 0.23 0.00 0.43 0.00 0.00 52.55 51.53 1isx s ASP 662 Cb 0.13 1.58 1.26 0.00 -0.30 0.00 0.00 42.92 45.59 1isx s ASP 662 CO 0.83 -0.11 1.71 1.55 -0.17 0.00 0.00 175.17 178.97 1isx h PRO 663 N 5.80 0.00 0.00 4.34 0.13 -1.60 -2.23 132.00 138.44 1isx h PRO 663 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1isx h PRO 663 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1isx h PRO 663 CO 0.09 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.86 1isx h ALA 664 N 2.00 1.00 -2.51 -0.56 0.00 -1.95 -3.45 119.26 113.78 1isx h ALA 664 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 1isx h ALA 664 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1isx h ALA 664 CO 0.00 0.00 0.12 0.00 0.00 0.00 0.00 179.25 179.37 1isx s ALA 665 N -3.25 3.40 -0.02 0.00 0.00 -0.84 -4.95 121.76 116.10 1isx s ALA 665 Ca 0.07 0.17 -0.28 0.00 0.00 0.00 0.00 51.96 51.92 1isx s ALA 665 Cb 0.08 -2.83 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 1isx s ALA 665 CO 0.62 0.32 0.89 0.15 0.00 0.00 0.00 175.76 177.74 1isx s LYS 666 N -2.06 4.52 -0.31 0.00 1.02 -0.75 -4.94 119.74 117.22 1isx s LYS 666 Ca 0.44 1.25 -0.15 0.00 0.02 0.00 0.00 55.97 57.53 1isx s LYS 666 Cb -0.16 -3.46 -0.02 0.00 -0.52 0.00 0.00 37.83 33.67 1isx s LYS 666 CO 0.21 -0.02 0.38 -0.51 -0.92 0.00 0.00 175.35 174.49 1isx s LEU 667 N 0.95 4.25 0.08 3.17 1.43 -1.26 -0.95 118.68 126.35 1isx s LEU 667 Ca 0.47 0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.64 1isx s LEU 667 Cb -0.20 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 1isx s LEU 667 CO 0.25 -0.28 -0.09 0.00 0.23 0.00 0.00 176.35 176.46 1isx s TYR 669 N -1.17 3.15 -0.04 0.00 5.04 -0.40 -1.33 117.35 122.61 1isx s TYR 669 Ca 0.21 -0.17 0.04 0.00 -2.44 0.00 0.00 57.07 54.70 1isx s TYR 669 Cb -0.11 -2.19 -0.03 0.00 0.35 0.00 0.00 41.96 39.98 1isx s TYR 669 CO 0.13 -0.14 -0.14 1.21 -1.34 0.00 0.00 175.55 175.27 1isx s ASN 670 N 1.15 4.08 0.16 4.32 2.47 -0.49 -0.17 114.94 126.46 1isx s ASN 670 Ca 0.05 -0.21 -0.24 0.00 0.42 0.00 0.00 52.86 52.88 1isx s ASN 670 Cb -0.14 -0.85 0.06 0.00 -1.45 0.00 0.00 41.25 38.86 1isx s ASN 670 CO 0.04 0.33 0.84 -0.62 -3.72 0.00 0.00 177.10 173.97 1isx s ASP 671 N -0.86 -0.28 0.34 -4.21 -1.08 -0.95 -0.75 116.67 108.87 1isx s ASP 671 Ca 0.12 -0.33 0.09 0.00 -0.52 0.00 0.00 52.55 51.91 1isx s ASP 671 Cb -0.11 0.55 -0.05 0.00 -1.46 0.00 0.00 42.92 41.85 1isx s ASP 671 CO 0.02 -0.98 0.00 -0.72 0.52 0.00 0.00 175.17 174.01 1isx s TYR 672 N -3.48 2.53 -1.70 -5.34 1.13 -1.26 -1.07 117.35 108.16 1isx s TYR 672 Ca 0.09 -0.44 -0.01 0.00 -1.41 0.00 0.00 57.07 55.30 1isx s TYR 672 Cb -0.02 -1.48 0.00 0.00 -1.10 0.00 0.00 41.96 39.36 1isx s TYR 672 CO -0.01 0.49 0.18 0.09 -2.51 0.00 0.00 175.55 173.79 1isx n ASN 673 N -0.94 -5.95 -0.68 -0.18 5.03 -1.26 -4.86 115.26 106.42 1isx n ASN 673 Ca -0.04 -0.10 0.06 0.00 0.87 0.00 0.00 54.58 55.37 1isx n ASN 673 Cb 0.62 -4.90 0.14 0.00 -1.02 0.00 0.00 39.78 34.63 1isx n ASN 673 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 1isx n ILE 674 N -4.17 1.54 -0.09 2.41 -5.35 -1.26 -4.18 119.36 108.26 1isx n ILE 674 Ca -0.21 -2.38 -0.10 0.00 -0.27 0.00 0.00 62.75 59.79 1isx n ILE 674 Cb 0.67 0.07 -0.16 0.00 -1.74 0.00 0.00 39.64 38.48 1isx n ILE 674 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1isx n GLU 675 N -0.76 0.68 -3.04 6.28 4.71 -1.26 -4.79 120.64 122.45 1isx n GLU 675 Ca 0.14 0.04 -0.41 0.00 -0.01 0.00 0.00 57.16 56.92 1isx n GLU 675 Cb 0.78 -1.56 -0.06 0.00 -1.01 0.00 0.00 31.44 29.59 1isx n GLU 675 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 1isx s ASN 676 N -5.63 6.55 0.55 1.62 3.84 -1.26 -4.22 114.94 116.38 1isx s ASN 676 Ca -0.10 0.47 0.24 0.00 0.21 0.00 0.00 52.86 53.68 1isx s ASN 676 Cb 0.06 -2.36 1.44 0.00 -0.55 0.00 0.00 41.25 39.84 1isx s ASN 676 CO 0.82 -0.56 2.06 -0.25 -2.79 0.00 0.00 177.10 176.38 1isx h TRP 677 N 8.22 0.00 0.00 0.43 2.91 -1.89 -1.75 115.95 123.86 1isx h TRP 677 Ca -0.26 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.76 1isx h TRP 677 Cb 1.11 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.76 1isx h TRP 677 CO 0.77 0.00 0.00 1.79 -1.03 0.00 0.00 178.44 179.97 1isx h THR 678 N 0.00 0.00 -3.75 2.65 1.35 -1.95 -3.43 112.91 107.79 1isx h THR 678 Ca 0.15 -0.40 -0.50 0.00 -0.55 0.00 0.00 66.41 65.10 1isx h THR 678 Cb 0.63 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1isx h THR 678 CO -0.00 0.00 0.40 0.26 -0.25 0.00 0.00 175.52 175.93 1isx s TRP 679 N -3.23 3.80 0.37 4.73 0.52 -0.66 -4.94 118.94 119.54 1isx s TRP 679 Ca 0.07 1.81 0.05 0.00 0.02 0.00 0.00 56.10 58.05 1isx s TRP 679 Cb 0.10 -3.11 0.72 0.00 -1.15 0.00 0.00 33.47 30.03 1isx s TRP 679 CO 0.51 0.01 2.00 0.00 0.02 0.00 0.00 176.95 179.49 1isx h ALA 680 N 4.18 1.57 -0.43 0.98 0.00 -1.86 -2.61 119.26 121.08 1isx h ALA 680 Ca -0.45 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1isx h ALA 680 Cb 1.21 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1isx h ALA 680 CO 0.68 0.36 0.28 -0.22 0.00 0.00 0.00 179.25 180.36 1isx h LYS 681 N 0.66 0.56 -0.59 0.00 3.64 -1.85 -0.65 116.57 118.35 1isx h LYS 681 Ca 0.17 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.58 1isx h LYS 681 Cb 0.00 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.64 1isx h LYS 681 CO -0.03 0.38 0.29 1.15 -2.27 0.00 0.00 179.45 178.97 1isx h THR 682 N 0.58 0.92 -0.02 1.00 2.02 -1.63 -1.65 112.91 114.12 1isx h THR 682 Ca 0.16 -0.19 -0.12 0.00 0.77 0.00 0.00 66.41 67.03 1isx h THR 682 Cb -0.06 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 1isx h THR 682 CO -0.03 0.10 -0.55 1.56 0.37 0.00 0.00 175.52 176.97 1isx h GLN 683 N 0.54 0.07 -0.47 6.66 4.20 -1.34 -2.21 115.11 122.55 1isx h GLN 683 Ca 0.27 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.84 1isx h GLN 683 Cb 0.21 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1isx h GLN 683 CO -0.20 0.60 -0.09 0.78 -0.67 0.00 0.00 178.83 179.25 1isx h GLY 684 N 1.59 0.97 1.44 3.46 0.00 -0.39 -0.88 103.07 109.26 1isx h GLY 684 Ca -0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 47.33 46.41 1isx h GLY 684 CO 0.08 0.72 -0.33 -2.08 0.00 0.00 0.00 176.54 174.92 1isx h VAL 685 N 0.75 1.29 0.07 4.60 2.07 -1.21 -2.08 116.25 121.72 1isx h VAL 685 Ca 0.12 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.18 1isx h VAL 685 Cb 0.64 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1isx h VAL 685 CO 0.04 0.47 -0.06 0.22 0.02 0.00 0.00 177.57 178.26 1isx h TYR 686 N 0.53 -0.15 -0.68 1.57 3.20 -1.13 -0.38 116.97 119.93 1isx h TYR 686 Ca 0.06 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.96 1isx h TYR 686 Cb 0.83 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 39.12 1isx h TYR 686 CO 0.04 -0.09 0.45 -0.91 -1.64 0.00 0.00 178.16 176.00 1isx h ASN 687 N -0.14 0.70 -0.09 -2.11 2.35 -0.99 0.14 115.58 115.44 1isx h ASN 687 Ca 0.00 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1isx h ASN 687 Cb 0.13 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 1isx h ASN 687 CO -0.01 0.48 -0.04 -0.03 -1.65 0.00 0.00 177.43 176.18 1isx h MET 688 N 0.81 0.19 -0.75 0.81 4.05 -0.91 -0.24 114.93 118.90 1isx h MET 688 Ca 0.27 -0.08 0.02 0.00 -0.28 0.00 0.00 59.70 59.63 1isx h MET 688 Cb 0.07 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.83 1isx h MET 688 CO -0.08 0.55 0.49 0.28 0.23 0.00 0.00 176.91 178.38 1isx h VAL 689 N -0.17 1.16 -0.76 -5.77 2.07 -0.50 0.72 116.25 113.00 1isx h VAL 689 Ca 0.02 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1isx h VAL 689 Cb 0.49 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1isx h VAL 689 CO 0.01 0.18 0.38 -0.09 0.02 0.00 0.00 177.57 178.07 1isx h ARG 690 N 0.98 1.08 -0.66 1.57 2.43 -0.64 -1.35 114.38 117.80 1isx h ARG 690 Ca 0.29 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 1isx h ARG 690 Cb -0.06 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.26 1isx h ARG 690 CO -0.08 0.83 0.26 0.22 -1.51 0.00 0.00 179.97 179.69 1isx h ASP 691 N 1.06 0.90 -0.15 -3.80 3.58 -0.16 -1.52 116.42 116.33 1isx h ASP 691 Ca 0.26 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 1isx h ASP 691 Cb 0.09 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 1isx h ASP 691 CO -0.04 0.83 0.09 -0.26 -2.88 0.00 0.00 179.24 176.99 1isx h PHE 692 N 0.92 0.20 -0.62 0.28 -1.00 -0.41 -1.69 116.94 114.63 1isx h PHE 692 Ca 0.22 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.95 1isx h PHE 692 Cb 0.21 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 39.67 1isx h PHE 692 CO 0.01 0.16 0.19 0.87 -1.61 0.00 0.00 178.31 177.93 1isx h LYS 693 N 0.18 0.94 -0.37 1.51 1.79 -1.10 0.51 116.57 120.04 1isx h LYS 693 Ca 0.05 -0.18 -0.10 0.00 -2.18 0.00 0.00 60.65 58.24 1isx h LYS 693 Cb 0.02 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.51 1isx h LYS 693 CO -0.01 0.81 -0.19 1.96 -1.08 0.00 0.00 179.45 180.94 1isx h GLN 694 N 0.91 0.69 -0.15 3.15 4.20 -1.05 -3.08 115.11 119.80 1isx h GLN 694 Ca 0.20 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1isx h GLN 694 Cb 0.26 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1isx h GLN 694 CO -0.01 0.84 0.00 0.54 -0.67 0.00 0.00 178.83 179.53 1isx n ARG 695 N -4.14 2.14 -1.94 1.46 1.74 -0.65 -4.96 116.66 110.32 1isx n ARG 695 Ca 0.00 -1.69 0.00 0.00 -0.77 0.00 0.00 57.85 55.40 1isx n ARG 695 Cb 0.40 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 1isx n ARG 695 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1isx n GLY 696 N 1.32 0.41 3.71 -0.13 0.00 -0.32 -5.03 105.19 105.15 1isx n GLY 696 Ca 0.17 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 1isx n GLY 696 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1isx s VAL 697 N -2.00 4.97 -0.32 1.61 1.01 0.16 -4.98 120.40 120.86 1isx s VAL 697 Ca 0.00 1.65 -0.27 0.00 0.00 0.00 0.00 61.98 63.36 1isx s VAL 697 Cb 0.00 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 1isx s VAL 697 CO 0.00 0.20 2.20 -2.84 0.00 0.00 0.00 175.10 174.66 1isx s PRO 698 N 1.02 2.86 -0.22 2.72 0.02 -1.26 -4.41 135.00 135.73 1isx s PRO 698 Ca 0.42 1.74 -0.11 0.00 0.02 0.00 0.00 61.00 63.07 1isx s PRO 698 Cb -0.19 -4.41 0.08 0.00 0.02 0.00 0.00 34.50 30.00 1isx s PRO 698 CO 0.20 -2.41 0.52 -1.50 -0.33 0.00 0.00 177.00 173.48 1isx s ILE 699 N 9.20 -0.22 -0.21 2.83 2.07 -1.26 -4.64 121.20 128.97 1isx s ILE 699 Ca 0.96 0.07 0.08 0.00 -1.41 0.00 0.00 60.65 60.34 1isx s ILE 699 Cb -0.27 -0.78 -0.10 0.00 0.13 0.00 0.00 42.46 41.45 1isx s ILE 699 CO 0.32 0.03 0.26 0.47 -1.91 0.00 0.00 174.94 174.10 1isx n ASP 700 N 4.59 1.54 -3.56 4.50 8.00 0.05 -4.91 116.55 126.76 1isx n ASP 700 Ca -0.19 -0.40 -0.13 0.00 0.71 0.00 0.00 54.79 54.79 1isx n ASP 700 Cb 0.55 1.14 -0.05 0.00 -0.02 0.00 0.00 41.12 42.75 1isx n ASP 700 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1isx s VAL 702 N -2.88 1.51 -0.20 0.00 1.01 -0.64 -1.28 120.40 117.92 1isx s VAL 702 Ca -0.03 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 1isx s VAL 702 Cb -0.00 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 1isx s VAL 702 CO -0.05 0.44 0.18 -0.83 0.00 0.00 0.00 175.10 174.84 1isx s GLY 703 N 1.19 2.07 -0.46 4.51 0.00 0.76 -1.94 107.32 113.44 1isx s GLY 703 Ca -0.02 -0.66 -0.09 0.00 0.00 0.00 0.00 44.72 43.95 1isx s GLY 703 CO -0.05 0.26 0.33 -1.36 0.00 0.00 0.00 173.10 172.28 1isx s PHE 704 N 0.50 3.41 0.30 1.90 0.40 0.47 -2.24 117.98 122.72 1isx s PHE 704 Ca 0.10 -1.81 0.05 0.00 -0.60 0.00 0.00 56.93 54.67 1isx s PHE 704 Cb -0.12 -3.39 0.80 0.00 0.51 0.00 0.00 43.02 40.81 1isx s PHE 704 CO 0.00 -0.97 1.64 1.96 0.70 0.00 0.00 175.22 178.56 1isx h GLN 705 N 8.44 0.20 -4.90 0.44 4.20 -1.38 -2.89 115.11 119.22 1isx h GLN 705 Ca -0.21 -0.01 -0.27 0.00 0.06 0.00 0.00 58.65 58.21 1isx h GLN 705 Cb 1.07 -0.05 0.13 0.00 0.30 0.00 0.00 27.48 28.94 1isx h GLN 705 CO 0.84 0.14 -0.60 0.43 -0.67 0.00 0.00 178.83 178.97 1isx n SER 706 N -5.21 -2.70 -4.41 1.46 7.64 -1.26 -1.09 113.62 108.05 1isx n SER 706 Ca 0.24 -0.48 -0.45 0.00 1.01 0.00 0.00 58.87 59.19 1isx n SER 706 Cb 0.76 -4.18 -0.02 0.00 -1.01 0.00 0.00 64.21 59.76 1isx n SER 706 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1isx s HIS 707 N -3.28 3.36 -0.04 1.43 3.76 -1.26 -2.66 115.29 116.60 1isx s HIS 707 Ca 0.09 -1.62 -0.17 0.00 -0.15 0.00 0.00 55.06 53.21 1isx s HIS 707 Cb -0.04 -4.11 -0.05 0.00 1.11 0.00 0.00 32.58 29.49 1isx s HIS 707 CO 0.58 -1.30 0.46 -0.06 -0.85 0.00 0.00 174.74 173.57 1isx s PHE 708 N 1.73 3.65 0.32 1.40 0.08 -0.57 -4.89 117.98 119.70 1isx s PHE 708 Ca 0.27 0.99 -0.14 0.00 0.12 0.00 0.00 56.93 58.18 1isx s PHE 708 Cb -0.07 -2.44 0.02 0.00 -0.57 0.00 0.00 43.02 39.97 1isx s PHE 708 CO -0.09 0.43 0.65 0.54 -0.10 0.00 0.00 175.22 176.64 1isx s ASN 709 N -0.35 0.10 0.35 1.36 2.20 -1.11 -0.59 114.94 116.88 1isx s ASN 709 Ca 0.25 -1.04 0.24 0.00 -0.94 0.00 0.00 52.86 51.38 1isx s ASN 709 Cb -0.16 0.73 1.26 0.00 -2.00 0.00 0.00 41.25 41.08 1isx s ASN 709 CO 0.13 -1.42 1.74 0.77 -2.94 0.00 0.00 177.10 175.38 1isx h SER 710 N 2.08 0.00 0.22 3.54 4.64 -1.98 0.66 113.55 122.70 1isx h SER 710 Ca -0.27 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.76 1isx h SER 710 Cb 1.25 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.37 1isx h SER 710 CO 0.35 0.00 -1.27 1.23 -0.87 0.00 0.00 176.83 176.26 1isx h GLY 711 N 0.33 0.55 -6.43 -0.77 0.00 -1.98 -3.39 103.07 91.37 1isx h GLY 711 Ca 0.00 -1.38 -0.59 0.00 0.00 0.00 0.00 47.33 45.35 1isx h GLY 711 CO 0.00 1.21 -0.92 -1.14 0.00 0.00 0.00 176.54 175.69 1isx n SER 712 N -3.85 0.18 -4.78 0.19 3.41 -0.66 -5.13 113.62 102.99 1isx n SER 712 Ca -0.16 -2.55 -0.32 0.00 -0.26 0.00 0.00 58.87 55.59 1isx n SER 712 Cb 1.02 -0.59 0.07 0.00 -0.26 0.00 0.00 64.21 64.44 1isx n SER 712 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1isx s PRO 713 N -0.34 2.57 0.41 4.33 0.04 0.13 -2.77 135.00 139.38 1isx s PRO 713 Ca 0.32 1.22 -0.25 0.00 0.04 0.00 0.00 61.00 62.33 1isx s PRO 713 Cb 0.04 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.57 1isx s PRO 713 CO -0.18 -1.41 1.20 -0.47 0.04 0.00 0.00 177.00 176.17 1isx s TYR 714 N -2.72 2.97 -0.02 0.56 5.04 -1.26 -4.91 117.35 117.00 1isx s TYR 714 Ca 0.63 1.52 0.01 0.00 -2.44 0.00 0.00 57.07 56.78 1isx s TYR 714 Cb -0.18 -3.45 0.02 0.00 0.35 0.00 0.00 41.96 38.70 1isx s TYR 714 CO 0.50 -1.54 -0.01 1.21 -1.34 0.00 0.00 175.55 174.38 1isx s ASN 715 N -1.09 0.37 0.63 4.32 3.84 -1.26 -5.03 114.94 116.72 1isx s ASN 715 Ca 0.58 -0.03 0.26 0.00 0.21 0.00 0.00 52.86 53.89 1isx s ASN 715 Cb -0.32 -0.17 1.38 0.00 -0.55 0.00 0.00 41.25 41.59 1isx s ASN 715 CO 0.40 -0.07 1.79 0.77 -2.79 0.00 0.00 177.10 177.20 1isx h SER 716 N 6.95 0.00 0.00 -4.21 4.64 -1.98 -0.25 113.55 118.71 1isx h SER 716 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1isx h SER 716 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1isx h SER 716 CO 0.49 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.99 1isx n ASN 717 N -3.18 0.00 0.06 4.97 0.23 -1.26 -2.61 115.26 113.46 1isx n ASN 717 Ca 0.03 -0.69 0.00 0.00 -0.53 0.00 0.00 54.58 53.40 1isx n ASN 717 Cb 0.61 0.00 0.31 0.00 -2.08 0.00 0.00 39.78 38.62 1isx n ASN 717 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1isx h PHE 718 N 0.00 0.41 -0.72 -2.53 3.57 -1.21 -2.16 116.94 114.30 1isx h PHE 718 Ca 0.00 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 1isx h PHE 718 Cb 0.00 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 1isx h PHE 718 CO 0.00 0.51 0.35 -0.09 -2.23 0.00 0.00 178.31 176.85 1isx h ARG 719 N 0.36 1.03 -0.34 1.11 2.43 -1.77 -0.67 114.38 116.53 1isx h ARG 719 Ca 0.07 -0.15 -0.06 0.00 -0.81 0.00 0.00 59.98 59.02 1isx h ARG 719 Cb 0.45 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1isx h ARG 719 CO 0.03 0.81 -0.03 1.79 -1.51 0.00 0.00 179.97 181.05 1isx h THR 720 N 1.00 1.27 -0.61 0.20 1.35 -1.68 -0.47 112.91 113.98 1isx h THR 720 Ca 0.25 -1.04 0.12 0.00 -0.55 0.00 0.00 66.41 65.18 1isx h THR 720 Cb 0.12 1.26 -0.09 0.00 -1.73 0.00 0.00 68.15 67.71 1isx h THR 720 CO -0.03 0.34 0.11 0.74 -0.25 0.00 0.00 175.52 176.43 1isx h THR 721 N 0.42 0.61 -0.50 6.82 2.02 -1.05 0.88 112.91 122.11 1isx h THR 721 Ca 0.09 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 1isx h THR 721 Cb 0.50 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1isx h THR 721 CO 0.02 0.04 0.25 -0.07 0.37 0.00 0.00 175.52 176.14 1isx h LEU 722 N 0.24 0.65 -0.55 2.58 3.38 -0.75 -2.12 115.31 118.72 1isx h LEU 722 Ca 0.32 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1isx h LEU 722 Cb 0.49 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1isx h LEU 722 CO -0.42 0.59 0.13 1.56 0.09 0.00 0.00 178.44 180.38 1isx h GLN 723 N 0.67 0.89 -0.27 1.13 4.20 0.65 0.13 115.11 122.50 1isx h GLN 723 Ca 0.17 -0.22 0.04 0.00 0.06 0.00 0.00 58.65 58.71 1isx h GLN 723 Cb 0.10 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 1isx h GLN 723 CO -0.02 0.84 0.03 -0.91 -0.67 0.00 0.00 178.83 178.09 1isx h ASN 724 N 0.79 -0.04 -0.24 1.46 2.35 0.95 0.48 115.58 121.33 1isx h ASN 724 Ca 0.17 0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.91 1isx h ASN 724 Cb 0.35 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1isx h ASN 724 CO 0.00 0.01 -0.11 -0.26 -1.65 0.00 0.00 177.43 175.43 1isx h PHE 725 N 0.12 0.57 -1.00 1.19 -1.00 -1.25 -3.03 116.94 112.54 1isx h PHE 725 Ca 0.13 -0.14 0.17 0.00 2.81 0.00 0.00 57.97 60.94 1isx h PHE 725 Cb 0.15 -0.13 -0.10 0.00 3.61 0.00 0.00 35.95 39.48 1isx h PHE 725 CO -0.18 0.76 0.62 0.00 -1.61 0.00 0.00 178.31 177.89 1isx h ALA 726 N 0.72 1.64 0.00 2.45 0.00 -0.58 0.20 119.26 123.70 1isx h ALA 726 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1isx h ALA 726 Cb 0.61 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1isx h ALA 726 CO 0.03 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1isx n ALA 727 N -2.34 1.34 1.23 0.00 0.00 0.13 -1.60 120.51 119.26 1isx n ALA 727 Ca 0.22 0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.90 1isx n ALA 727 Cb 0.51 -1.29 0.58 0.00 0.00 0.00 0.00 19.45 19.26 1isx n ALA 727 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1isx n LEU 728 N -2.04 0.27 -0.04 0.00 4.77 0.71 -4.91 117.00 115.75 1isx n LEU 728 Ca 0.01 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1isx n LEU 728 Cb 0.12 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1isx n LEU 728 CO 0.12 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 1isx n GLY 729 N 1.38 1.37 3.14 -0.72 0.00 -0.63 -4.97 105.19 104.77 1isx n GLY 729 Ca 0.11 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 1isx n GLY 729 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1isx s VAL 730 N -2.08 0.69 0.67 1.61 -7.23 -1.24 -4.95 120.40 107.86 1isx s VAL 730 Ca 0.00 -1.61 -0.09 0.00 -1.81 0.00 0.00 61.98 58.47 1isx s VAL 730 Cb 0.00 -1.28 0.02 0.00 0.56 0.00 0.00 36.38 35.68 1isx s VAL 730 CO 0.00 -0.66 1.02 -1.81 -0.31 0.00 0.00 175.10 173.34 1isx s ASP 731 N -2.46 5.38 0.07 4.85 1.01 0.62 -4.28 116.67 121.86 1isx s ASP 731 Ca 0.04 0.88 0.05 0.00 0.71 0.00 0.00 52.55 54.23 1isx s ASP 731 Cb -0.01 -1.72 -0.03 0.00 1.01 0.00 0.00 42.92 42.17 1isx s ASP 731 CO -0.02 -1.29 -0.13 0.68 0.21 0.00 0.00 175.17 174.61 1isx s VAL 732 N -3.22 1.06 -0.08 -1.27 -7.23 -0.74 -1.62 120.40 107.30 1isx s VAL 732 Ca 0.57 -1.32 -0.10 0.00 -1.81 0.00 0.00 61.98 59.32 1isx s VAL 732 Cb -0.11 -1.06 0.02 0.00 0.56 0.00 0.00 36.38 35.79 1isx s VAL 732 CO 0.48 -0.27 0.26 0.00 -0.31 0.00 0.00 175.10 175.27 1isx s ALA 733 N -1.38 -0.65 -0.53 1.32 0.00 -0.82 -1.33 121.76 118.36 1isx s ALA 733 Ca -0.02 0.61 -0.20 0.00 0.00 0.00 0.00 51.96 52.35 1isx s ALA 733 Cb -0.09 -0.31 0.06 0.00 0.00 0.00 0.00 23.12 22.78 1isx s ALA 733 CO 0.02 -0.16 0.69 0.42 0.00 0.00 0.00 175.76 176.74 1isx s ILE 734 N -0.22 4.78 -0.15 0.00 1.01 -0.97 -0.39 121.20 125.26 1isx s ILE 734 Ca -0.03 -0.49 0.20 0.00 0.00 0.00 0.00 60.65 60.33 1isx s ILE 734 Cb -0.03 -4.38 -0.14 0.00 0.01 0.00 0.00 42.46 37.92 1isx s ILE 734 CO 0.01 -0.93 0.77 0.35 0.00 0.00 0.00 174.94 175.14 1isx n THR 735 N 5.68 0.68 -2.78 2.92 -2.24 -1.09 0.27 114.28 117.72 1isx n THR 735 Ca -0.06 -0.60 -0.02 0.00 -2.27 0.00 0.00 64.05 61.10 1isx n THR 735 Cb 0.45 -0.37 0.07 0.00 -2.10 0.00 0.00 70.33 68.38 1isx n THR 735 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1isx n GLU 736 N -2.64 1.56 -1.69 -0.78 1.02 -0.25 -4.61 120.64 113.26 1isx n GLU 736 Ca -0.06 -2.85 -0.44 0.00 -0.02 0.00 0.00 57.16 53.79 1isx n GLU 736 Cb 0.68 -1.01 -0.03 0.00 -0.02 0.00 0.00 31.44 31.05 1isx n GLU 736 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1isx n LEU 737 N -0.78 3.84 -3.63 -4.62 7.94 0.35 -4.13 117.00 115.96 1isx n LEU 737 Ca 0.01 1.00 -0.13 0.00 -1.11 0.00 0.00 56.01 55.78 1isx n LEU 737 Cb 0.82 -1.51 -0.07 0.00 0.53 0.00 0.00 43.42 43.20 1isx n LEU 737 CO 0.03 0.08 0.48 1.51 -1.11 0.00 0.00 177.39 178.39 1isx s ASP 738 N 2.66 -0.69 -0.15 1.96 1.47 -1.09 -1.21 116.67 119.62 1isx s ASP 738 Ca 0.83 1.33 0.01 0.00 1.18 0.00 0.00 52.55 55.90 1isx s ASP 738 Cb -0.54 1.35 0.02 0.00 -0.34 0.00 0.00 42.92 43.41 1isx s ASP 738 CO 0.39 -0.23 -0.16 -0.63 0.68 0.00 0.00 175.17 175.22 1isx s ILE 739 N 0.38 1.69 -0.14 2.11 1.01 -0.94 -1.52 121.20 123.80 1isx s ILE 739 Ca 0.00 -0.72 -0.35 0.00 0.00 0.00 0.00 60.65 59.58 1isx s ILE 739 Cb -0.05 -1.56 -0.12 0.00 0.01 0.00 0.00 42.46 40.74 1isx s ILE 739 CO -0.01 0.48 1.87 1.67 0.00 0.00 0.00 174.94 178.95 1isx n GLN 740 N 4.57 1.95 0.00 2.79 7.27 0.24 0.53 117.38 134.73 1isx n GLN 740 Ca -0.18 0.71 0.00 0.00 0.07 0.00 0.00 57.00 57.60 1isx n GLN 740 Cb 0.50 -2.54 0.00 0.00 2.41 0.00 0.00 30.24 30.61 1isx n GLN 740 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1isx n GLY 741 N 4.44 3.12 3.48 1.69 0.00 -0.01 -4.49 105.19 113.42 1isx n GLY 741 Ca 0.24 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.07 1isx n GLY 741 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1isx n ALA 742 N -0.77 -1.78 -1.65 4.61 0.00 0.19 -4.90 120.51 116.21 1isx n ALA 742 Ca 0.00 0.10 -0.47 0.00 0.00 0.00 0.00 53.44 53.07 1isx n ALA 742 Cb 0.00 -3.47 -0.04 0.00 0.00 0.00 0.00 19.45 15.94 1isx n ALA 742 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1isx n SER 743 N -3.09 2.55 -0.21 0.00 2.88 -1.26 -4.58 113.62 109.91 1isx n SER 743 Ca -0.19 1.12 -0.08 0.00 -1.33 0.00 0.00 58.87 58.39 1isx n SER 743 Cb 0.63 -1.37 0.03 0.00 -0.75 0.00 0.00 64.21 62.75 1isx n SER 743 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1isx h SER 744 N 4.76 0.83 -0.54 -3.46 0.02 -1.68 -1.64 113.55 111.85 1isx h SER 744 Ca -0.45 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.30 1isx h SER 744 Cb 1.28 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 1isx h SER 744 CO 0.80 0.79 0.28 0.28 -1.14 0.00 0.00 176.83 177.83 1isx h SER 745 N 0.83 0.69 -0.35 3.07 0.02 -1.89 -1.16 113.55 114.76 1isx h SER 745 Ca 0.20 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1isx h SER 745 Cb 0.22 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1isx h SER 745 CO -0.01 0.60 -0.02 0.74 -1.14 0.00 0.00 176.83 177.00 1isx h THR 746 N 0.72 1.27 -0.73 -2.27 2.02 -1.91 0.11 112.91 112.11 1isx h THR 746 Ca 0.19 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.32 1isx h THR 746 Cb 0.09 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1isx h THR 746 CO -0.03 0.34 0.39 1.88 0.37 0.00 0.00 175.52 178.47 1isx h TYR 747 N 0.44 1.01 -0.49 3.16 0.05 -1.19 -0.81 116.97 119.14 1isx h TYR 747 Ca 0.10 -0.03 -0.10 0.00 0.05 0.00 0.00 58.73 58.74 1isx h TYR 747 Cb 0.50 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.90 1isx h TYR 747 CO 0.04 0.72 -0.10 0.00 -1.05 0.00 0.00 178.16 177.77 1isx h ALA 748 N 1.20 0.89 -0.22 3.88 0.00 -1.02 -2.32 119.26 121.67 1isx h ALA 748 Ca 0.26 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1isx h ALA 748 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1isx h ALA 748 CO -0.04 0.64 0.10 0.00 0.00 0.00 0.00 179.25 179.95 1isx h ALA 749 N 1.06 0.29 -0.56 0.00 0.00 -0.29 -1.17 119.26 118.58 1isx h ALA 749 Ca 0.13 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1isx h ALA 749 Cb 0.63 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1isx h ALA 749 CO 0.04 -0.13 0.37 0.28 0.00 0.00 0.00 179.25 179.81 1isx h VAL 750 N 0.22 1.13 -0.47 0.00 2.07 -1.09 -1.18 116.25 116.92 1isx h VAL 750 Ca 0.08 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1isx h VAL 750 Cb 0.15 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1isx h VAL 750 CO -0.01 0.14 0.28 0.74 0.02 0.00 0.00 177.57 178.74 1isx h THR 751 N 0.75 1.15 0.00 2.57 2.02 -1.23 -2.45 112.91 115.71 1isx h THR 751 Ca 0.21 -0.36 -0.07 0.00 0.77 0.00 0.00 66.41 66.96 1isx h THR 751 Cb -0.07 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1isx h THR 751 CO -0.05 0.16 -0.35 0.78 0.37 0.00 0.00 175.52 176.43 1isx h ASN 752 N 0.63 0.00 -0.20 4.18 2.35 -0.85 -1.55 115.58 120.14 1isx h ASN 752 Ca 0.17 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 1isx h ASN 752 Cb 0.01 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1isx h ASN 752 CO -0.03 0.35 0.01 0.44 -1.65 0.00 0.00 177.43 176.55 1isx h ASP 753 N 0.00 0.33 -0.46 5.81 3.32 -0.81 -0.71 116.42 123.90 1isx h ASP 753 Ca -0.00 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 1isx h ASP 753 Cb 0.63 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1isx h ASP 753 CO 0.04 0.54 0.25 0.00 -1.72 0.00 0.00 179.24 178.35 1isx h LEU 755 N 0.61 0.00 0.00 0.00 -0.00 -1.18 -2.30 115.31 112.44 1isx h LEU 755 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.04 1isx h LEU 755 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.73 1isx h LEU 755 CO -0.02 0.00 -0.56 0.00 -0.00 0.00 0.00 178.44 177.86 1isx h ALA 756 N 2.11 0.66 -3.20 1.53 0.00 -0.27 -3.43 119.26 116.66 1isx h ALA 756 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 1isx h ALA 756 Cb 0.27 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.77 1isx h ALA 756 CO 0.00 0.00 -0.65 0.08 0.00 0.00 0.00 179.25 178.68 1isx s VAL 757 N -3.20 3.56 0.55 0.00 1.01 -0.86 -4.99 120.40 116.47 1isx s VAL 757 Ca 0.06 -1.04 0.28 0.00 0.00 0.00 0.00 61.98 61.28 1isx s VAL 757 Cb 0.12 -2.94 0.42 0.00 0.00 0.00 0.00 36.38 33.97 1isx s VAL 757 CO 0.71 -0.04 1.94 0.77 0.00 0.00 0.00 175.10 178.48 1isx h SER 758 N 8.15 0.00 0.04 3.32 4.64 -1.84 0.23 113.55 128.09 1isx h SER 758 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1isx h SER 758 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1isx h SER 758 CO 0.59 0.00 -0.01 0.54 -0.87 0.00 0.00 176.83 177.07 1isx n ARG 759 N -4.10 1.22 -2.64 4.77 5.12 -1.26 -4.75 116.66 115.01 1isx n ARG 759 Ca 0.11 -0.41 -0.43 0.00 -1.93 0.00 0.00 57.85 55.19 1isx n ARG 759 Cb 0.71 -1.49 -0.02 0.00 -1.16 0.00 0.00 32.46 30.50 1isx n ARG 759 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1isx h LEU 761 N 11.16 0.53 0.00 0.00 3.38 -1.50 -3.47 115.31 125.42 1isx h LEU 761 Ca -0.23 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1isx h LEU 761 Cb 1.06 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1isx h LEU 761 CO 1.11 0.80 0.00 0.61 0.09 0.00 0.00 178.44 181.06 1isx n GLY 762 N -0.27 -1.59 3.02 0.83 0.00 -1.26 -2.64 105.19 103.28 1isx n GLY 762 Ca -0.01 -1.06 -0.23 0.00 0.00 0.00 0.00 46.02 44.72 1isx n GLY 762 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1isx s ILE 763 N -2.49 1.00 -0.14 -0.61 1.01 -0.82 -2.29 121.20 116.87 1isx s ILE 763 Ca 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.23 1isx s ILE 763 Cb 0.00 -0.91 0.01 0.00 0.01 0.00 0.00 42.46 41.57 1isx s ILE 763 CO 0.00 0.31 -0.21 -0.89 0.00 0.00 0.00 174.94 174.15 1isx s THR 764 N 0.44 2.09 -0.05 2.92 2.01 0.14 0.16 115.64 123.36 1isx s THR 764 Ca -0.09 -0.97 -0.15 0.00 0.31 0.00 0.00 61.69 60.79 1isx s THR 764 Cb -0.13 -1.84 -0.05 0.00 0.01 0.00 0.00 72.50 70.49 1isx s THR 764 CO 0.02 0.55 0.41 0.68 -0.69 0.00 0.00 174.62 175.59 1isx s VAL 765 N 0.84 5.10 -1.20 3.82 -7.23 -0.26 -0.49 120.40 120.98 1isx s VAL 765 Ca -0.06 0.83 -0.15 0.00 -1.81 0.00 0.00 61.98 60.79 1isx s VAL 765 Cb -0.15 -3.73 -0.05 0.00 0.56 0.00 0.00 36.38 33.01 1isx s VAL 765 CO -0.03 0.50 2.22 1.87 -0.31 0.00 0.00 175.10 179.35 1isx n TRP 766 N 2.47 2.59 0.00 2.82 -0.00 -0.35 -2.70 117.44 122.28 1isx n TRP 766 Ca -0.12 -2.50 0.00 0.00 -0.00 0.00 0.00 57.50 54.88 1isx n TRP 766 Cb 0.52 -2.17 0.00 0.00 -0.00 0.00 0.00 31.31 29.66 1isx n TRP 766 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1isx n GLY 767 N 4.13 3.87 0.00 5.87 0.00 -1.26 -4.70 105.19 113.10 1isx n GLY 767 Ca 0.54 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1isx n GLY 767 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1isx n VAL 768 N -1.67 0.00 -3.98 1.61 0.31 -1.26 -4.65 118.33 108.69 1isx n VAL 768 Ca 0.00 0.35 -0.28 0.00 -0.01 0.00 0.00 64.34 64.39 1isx n VAL 768 Cb 0.00 -1.22 -0.04 0.00 -0.91 0.00 0.00 33.84 31.67 1isx n VAL 768 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1isx s ARG 769 N -0.69 3.26 0.40 5.55 0.52 -1.26 -3.51 118.95 123.22 1isx s ARG 769 Ca 0.00 -0.61 0.19 0.00 -0.52 0.00 0.00 55.73 54.79 1isx s ARG 769 Cb 0.00 -2.90 1.11 0.00 0.52 0.00 0.00 34.95 33.68 1isx s ARG 769 CO 0.00 0.55 1.78 -0.44 0.02 0.00 0.00 175.30 177.21 1isx h ASP 770 N 2.67 0.44 0.76 0.23 3.32 -0.61 0.54 116.42 123.77 1isx h ASP 770 Ca -0.47 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1isx h ASP 770 Cb 1.18 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1isx h ASP 770 CO 0.70 0.09 0.00 0.71 -1.72 0.00 0.00 179.24 179.02 1isx h THR 771 N 0.39 0.00 -0.00 0.35 1.35 -1.88 -2.32 112.91 110.80 1isx h THR 771 Ca 0.58 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 66.12 1isx h THR 771 Cb 1.49 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1isx h THR 771 CO -0.28 0.00 -0.66 0.47 -0.25 0.00 0.00 175.52 174.80 1isx n ASP 772 N -2.65 0.78 -4.76 5.36 8.00 0.19 -4.95 116.55 118.51 1isx n ASP 772 Ca 0.01 -0.61 -0.38 0.00 0.71 0.00 0.00 54.79 54.52 1isx n ASP 772 Cb 0.24 0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.86 1isx n ASP 772 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1isx s SER 773 N -2.95 6.00 0.13 -2.24 0.15 -0.87 -4.89 113.70 109.03 1isx s SER 773 Ca 0.11 2.47 0.20 0.00 0.70 0.00 0.00 55.95 59.43 1isx s SER 773 Cb 0.17 -2.62 0.82 0.00 -1.71 0.00 0.00 66.02 62.69 1isx s SER 773 CO 0.74 -1.05 1.61 -2.67 1.20 0.00 0.00 173.24 173.08 1isx n TRP 774 N -0.49 0.42 -2.93 3.44 4.27 -1.26 -2.88 117.44 118.01 1isx n TRP 774 Ca 0.07 0.16 -0.17 0.00 -3.89 0.00 0.00 57.50 53.67 1isx n TRP 774 Cb 0.46 -0.76 -0.01 0.00 -1.36 0.00 0.00 31.31 29.65 1isx n TRP 774 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1isx n ARG 775 N -1.88 1.54 -0.14 -2.67 1.74 -1.26 -4.93 116.66 109.06 1isx n ARG 775 Ca 0.03 -3.64 0.18 0.00 -0.77 0.00 0.00 57.85 53.65 1isx n ARG 775 Cb 0.22 -1.68 0.56 0.00 -1.02 0.00 0.00 32.46 30.53 1isx n ARG 775 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1isx h SER 776 N 2.96 0.28 -0.14 0.55 4.64 -1.69 0.12 113.55 120.27 1isx h SER 776 Ca 0.06 0.02 0.04 0.00 -0.47 0.00 0.00 61.79 61.44 1isx h SER 776 Cb 0.97 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 1isx h SER 776 CO 0.57 0.14 0.15 1.23 -0.87 0.00 0.00 176.83 178.06 1isx h GLY 777 N 0.30 0.00 -0.99 -0.77 0.00 -1.90 0.16 103.07 99.87 1isx h GLY 777 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1isx h GLY 777 CO -0.09 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.67 1isx n ASP 778 N -3.87 1.88 -3.85 0.19 8.00 0.42 -4.94 116.55 114.38 1isx n ASP 778 Ca 0.01 -1.74 -0.22 0.00 0.71 0.00 0.00 54.79 53.55 1isx n ASP 778 Cb 0.27 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1isx n ASP 778 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1isx n THR 779 N 0.47 -1.15 1.44 -3.53 -2.24 0.56 -0.83 114.28 108.99 1isx n THR 779 Ca 0.16 -0.27 0.14 0.00 -2.27 0.00 0.00 64.05 61.81 1isx n THR 779 Cb 0.37 -0.98 0.48 0.00 -2.10 0.00 0.00 70.33 68.09 1isx n THR 779 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1isx n PRO 780 N -2.87 1.69 -1.24 -0.78 -0.04 -1.26 -3.75 135.00 126.75 1isx n PRO 780 Ca -0.06 -1.03 -0.03 0.00 -0.04 0.00 0.00 63.50 62.34 1isx n PRO 780 Cb 0.27 -1.48 0.01 0.00 -0.04 0.00 0.00 33.50 32.26 1isx n PRO 780 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1isx n LEU 781 N 0.25 0.00 0.02 1.53 4.77 -1.26 -2.21 117.00 120.10 1isx n LEU 781 Ca 0.18 -0.37 0.11 0.00 -0.03 0.00 0.00 56.01 55.90 1isx n LEU 781 Cb 0.38 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.39 1isx n LEU 781 CO 0.17 -0.54 -0.09 0.18 -1.33 0.00 0.00 177.39 175.78 1isx n LEU 782 N 0.00 0.58 -4.30 2.23 4.77 -1.26 -4.88 117.00 114.14 1isx n LEU 782 Ca 0.03 -0.03 -0.28 0.00 -0.03 0.00 0.00 56.01 55.69 1isx n LEU 782 Cb 0.09 -0.08 -0.14 0.00 -2.33 0.00 0.00 43.42 40.96 1isx n LEU 782 CO 0.06 0.04 -0.55 -0.36 -1.33 0.00 0.00 177.39 175.26 1isx s PHE 783 N -3.23 2.06 0.59 -1.77 0.40 -1.23 -1.66 117.98 113.14 1isx s PHE 783 Ca 0.02 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 56.02 1isx s PHE 783 Cb 0.14 -1.23 0.08 0.00 0.51 0.00 0.00 43.02 42.53 1isx s PHE 783 CO 0.82 0.12 0.81 -0.80 0.70 0.00 0.00 175.22 176.87 1isx s ASN 784 N -1.26 5.01 0.30 1.36 -0.87 -0.90 0.06 114.94 118.65 1isx s ASN 784 Ca 0.10 -0.61 0.02 0.00 -1.57 0.00 0.00 52.86 50.80 1isx s ASN 784 Cb -0.09 -0.00 0.74 0.00 -0.02 0.00 0.00 41.25 41.88 1isx s ASN 784 CO 0.02 -1.37 1.58 1.23 -2.57 0.00 0.00 177.10 175.99 1isx h GLY 785 N 0.07 1.25 -0.09 0.66 0.00 -1.92 0.17 103.07 103.20 1isx h GLY 785 Ca -0.34 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1isx h GLY 785 CO 0.42 -0.50 0.00 2.09 0.00 0.00 0.00 176.54 178.55 1isx n ASP 786 N -5.46 0.21 0.00 0.19 5.68 -1.26 -4.87 116.55 111.03 1isx n ASP 786 Ca 0.23 -1.95 0.00 0.00 -0.50 0.00 0.00 54.79 52.57 1isx n ASP 786 Cb 0.75 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.70 1isx n ASP 786 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1isx n GLY 787 N 0.59 0.92 3.83 6.12 0.00 0.60 -5.04 105.19 112.20 1isx n GLY 787 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1isx n GLY 787 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1isx s SER 788 N -3.01 6.61 0.09 1.61 1.04 -1.26 -4.77 113.70 114.02 1isx s SER 788 Ca 0.00 1.65 -0.31 0.00 0.48 0.00 0.00 55.95 57.78 1isx s SER 788 Cb 0.00 -2.52 -0.06 0.00 0.10 0.00 0.00 66.02 63.53 1isx s SER 788 CO 0.00 -0.60 1.22 -0.54 0.98 0.00 0.00 173.24 174.30 1isx s LYS 789 N -3.76 4.44 0.66 4.02 1.02 -1.26 -2.12 119.74 122.73 1isx s LYS 789 Ca 0.61 1.82 -0.06 0.00 0.02 0.00 0.00 55.97 58.35 1isx s LYS 789 Cb -0.11 -3.31 0.04 0.00 -0.52 0.00 0.00 37.83 33.92 1isx s LYS 789 CO 0.26 -0.24 0.97 0.15 -0.92 0.00 0.00 175.35 175.57 1isx s LYS 790 N 0.79 2.53 0.34 1.68 1.02 -0.67 -4.79 119.74 120.64 1isx s LYS 790 Ca 0.58 -0.12 0.06 0.00 0.02 0.00 0.00 55.97 56.51 1isx s LYS 790 Cb -0.31 -2.21 0.73 0.00 -0.52 0.00 0.00 37.83 35.52 1isx s LYS 790 CO 0.31 -1.00 1.90 0.00 -0.92 0.00 0.00 175.35 175.63 1isx h ALA 791 N -0.42 1.72 0.00 5.17 0.00 -1.88 -0.17 119.26 123.68 1isx h ALA 791 Ca -0.45 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1isx h ALA 791 Cb 1.29 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1isx h ALA 791 CO 0.61 0.09 -0.15 0.00 0.00 0.00 0.00 179.25 179.80 1isx h ALA 792 N 1.58 1.22 -0.20 0.00 0.00 -1.88 -2.36 119.26 117.62 1isx h ALA 792 Ca 0.40 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1isx h ALA 792 Cb 0.48 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1isx h ALA 792 CO -0.17 0.19 0.04 -0.92 0.00 0.00 0.00 179.25 178.39 1isx h TYR 793 N 0.00 0.34 -0.83 0.00 5.03 -1.22 -1.19 116.97 119.10 1isx h TYR 793 Ca -0.00 -0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.26 1isx h TYR 793 Cb 0.44 -0.10 -0.04 0.00 1.55 0.00 0.00 36.73 38.58 1isx h TYR 793 CO 0.00 0.45 0.50 1.15 -1.32 0.00 0.00 178.16 178.94 1isx h THR 794 N 0.13 1.23 -0.09 1.81 2.02 -1.40 -0.96 112.91 115.65 1isx h THR 794 Ca 0.06 -0.52 -0.08 0.00 0.77 0.00 0.00 66.41 66.64 1isx h THR 794 Cb 0.29 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1isx h THR 794 CO 0.00 0.25 -0.31 0.00 0.37 0.00 0.00 175.52 175.83 1isx h ALA 795 N 1.27 1.31 -0.03 6.16 0.00 -1.30 -0.23 119.26 126.44 1isx h ALA 795 Ca 0.30 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1isx h ALA 795 Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1isx h ALA 795 CO -0.05 0.48 -0.08 0.28 0.00 0.00 0.00 179.25 179.87 1isx h VAL 796 N 0.16 1.45 -0.13 0.00 2.07 -0.58 -2.18 116.25 117.03 1isx h VAL 796 Ca 0.02 -1.44 0.01 0.00 0.82 0.00 0.00 66.70 66.11 1isx h VAL 796 Cb 0.63 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1isx h VAL 796 CO 0.05 0.39 0.04 0.25 0.02 0.00 0.00 177.57 178.32 1isx h LEU 797 N -0.42 0.05 -1.25 2.57 5.85 -1.07 -0.01 115.31 121.03 1isx h LEU 797 Ca -0.00 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1isx h LEU 797 Cb 0.68 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 1isx h LEU 797 CO 0.02 0.05 0.51 0.78 -0.34 0.00 0.00 178.44 179.46 1isx h ASN 798 N 0.11 0.88 -0.58 1.25 2.35 -1.11 0.09 115.58 118.57 1isx h ASN 798 Ca 0.05 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 1isx h ASN 798 Cb 0.03 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 1isx h ASN 798 CO -0.06 0.64 0.09 0.00 -1.65 0.00 0.00 177.43 176.45 1isx h ALA 799 N 1.52 0.77 -0.44 -0.83 0.00 -0.70 0.86 119.26 120.43 1isx h ALA 799 Ca 0.28 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1isx h ALA 799 Cb -0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1isx h ALA 799 CO -0.06 0.52 -0.01 -0.07 0.00 0.00 0.00 179.25 179.63 1isx h LEU 800 N 0.86 0.70 -0.05 0.00 3.38 -0.15 -2.12 115.31 117.93 1isx h LEU 800 Ca 0.18 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1isx h LEU 800 Cb 0.42 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1isx h LEU 800 CO 0.01 0.78 0.00 0.59 0.09 0.00 0.00 178.44 179.91 1isx n ASN 801 N -4.22 0.05 0.00 -0.43 3.02 -0.06 -4.79 115.26 108.82 1isx n ASN 801 Ca 0.02 -1.90 0.00 0.00 -0.03 0.00 0.00 54.58 52.67 1isx n ASN 801 Cb 0.30 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 1isx n ASN 801 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1isx n GLY 802 N 0.43 0.55 7.00 7.41 0.00 -0.80 -4.97 105.19 114.81 1isx n GLY 802 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1isx n GLY 802 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1isx n GLY 803 N -2.00 -1.38 3.88 -0.02 0.00 0.30 -4.89 105.19 101.08 1isx n GLY 803 Ca 0.00 -1.23 -0.22 0.00 0.00 0.00 0.00 46.02 44.57 1isx n GLY 803 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1isx s SER 804 N -4.00 5.87 0.08 1.61 0.01 -1.26 -4.94 113.70 111.08 1isx s SER 804 Ca 0.00 -0.09 -0.18 0.00 1.31 0.00 0.00 55.95 56.99 1isx s SER 804 Cb 0.00 -1.61 -0.08 0.00 0.21 0.00 0.00 66.02 64.53 1isx s SER 804 CO 0.00 -0.03 1.49 0.77 0.41 0.00 0.00 173.24 175.88 1isx h SER 805 N 1.53 0.48 -3.47 2.44 4.64 -2.02 -3.44 113.55 113.72 1isx h SER 805 Ca -0.50 -0.35 -0.68 0.00 -0.47 0.00 0.00 61.79 59.80 1isx h SER 805 Cb 1.23 -0.13 -0.16 0.00 -0.31 0.00 0.00 62.40 63.03 1isx h SER 805 CO 0.62 0.71 -0.66 0.42 -0.87 0.00 0.00 176.83 177.05 1isx s THR 806 N -4.84 4.01 0.32 2.95 -4.23 -1.26 -5.10 115.64 107.50 1isx s THR 806 Ca -0.14 -0.48 -0.29 0.00 -1.18 0.00 0.00 61.69 59.61 1isx s THR 806 Cb 0.07 -2.71 -0.10 0.00 1.34 0.00 0.00 72.50 71.10 1isx s THR 806 CO 0.76 0.51 1.40 -2.84 -0.54 0.00 0.00 174.62 173.91 1isx s PRO 807 N -1.12 4.26 0.83 3.99 0.02 -1.26 -5.01 135.00 136.70 1isx s PRO 807 Ca 0.15 2.35 -0.10 0.00 0.02 0.00 0.00 61.00 63.42 1isx s PRO 807 Cb -0.11 -3.05 0.09 0.00 0.02 0.00 0.00 34.50 31.45 1isx s PRO 807 CO 0.05 -0.36 1.11 -2.14 -0.33 0.00 0.00 177.00 175.33 1isx s PRO 808 N -1.46 1.78 -0.22 5.54 0.02 -1.26 -4.88 135.00 134.52 1isx s PRO 808 Ca 0.53 1.30 -0.31 0.00 0.02 0.00 0.00 61.00 62.55 1isx s PRO 808 Cb -0.42 -1.83 -0.08 0.00 0.02 0.00 0.00 34.50 32.19 1isx s PRO 808 CO 0.53 -2.02 2.17 -2.30 -0.33 0.00 0.00 177.00 175.05 1isx n PRO 809 N -3.79 1.81 -2.44 5.54 -0.02 -1.26 -4.90 135.00 129.94 1isx n PRO 809 Ca 0.10 0.53 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 1isx n PRO 809 Cb 0.53 -2.96 -0.03 0.00 -0.02 0.00 0.00 33.50 31.02 1isx n PRO 809 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1isx s SER 810 N 7.38 6.14 0.05 2.55 0.15 -1.26 -4.55 113.70 124.16 1isx s SER 810 Ca 1.02 0.07 0.00 0.00 0.70 0.00 0.00 55.95 57.73 1isx s SER 810 Cb -0.52 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.25 1isx s SER 810 CO 0.41 -1.75 0.00 0.61 1.20 0.00 0.00 173.24 173.71 1isx n GLY 811 N 5.28 -4.99 5.09 9.45 0.00 -1.26 -4.94 105.19 113.82 1isx n GLY 811 Ca 0.10 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 45.96 1isx n GLY 811 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1isx n GLY 812 N 1.34 -1.90 0.00 -0.02 0.00 -1.26 -5.07 105.19 98.28 1isx n GLY 812 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1isx n GLY 812 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1isx n GLY 813 N -0.55 3.92 3.70 -0.02 0.00 -1.17 -4.75 105.19 106.32 1isx n GLY 813 Ca 0.00 -1.68 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 1isx n GLY 813 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1isx s GLN 814 N -3.12 2.57 -0.39 1.61 -0.21 -1.21 -0.06 119.66 118.85 1isx s GLN 814 Ca 0.00 -0.90 -0.07 0.00 0.02 0.00 0.00 55.36 54.42 1isx s GLN 814 Cb 0.00 -2.52 0.07 0.00 1.00 0.00 0.00 33.01 31.57 1isx s GLN 814 CO 0.00 0.52 0.19 0.42 -2.12 0.00 0.00 175.29 174.30 1isx s ILE 815 N -1.45 3.85 -0.19 1.08 1.01 -1.26 -2.70 121.20 121.53 1isx s ILE 815 Ca 0.27 -1.47 -0.06 0.00 0.00 0.00 0.00 60.65 59.39 1isx s ILE 815 Cb -0.11 -3.36 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 1isx s ILE 815 CO 0.19 -0.44 0.03 -0.75 0.00 0.00 0.00 174.94 173.97 1isx s LYS 816 N 1.35 3.76 0.18 2.79 2.20 -1.01 -0.10 119.74 128.91 1isx s LYS 816 Ca 0.02 -0.45 -0.28 0.00 -0.36 0.00 0.00 55.97 54.90 1isx s LYS 816 Cb -0.22 -3.13 -0.08 0.00 -1.51 0.00 0.00 37.83 32.89 1isx s LYS 816 CO 0.01 0.12 0.88 0.20 -0.36 0.00 0.00 175.35 176.19 1isx s GLY 817 N 0.76 3.02 0.15 5.54 0.00 -0.73 0.13 107.32 116.17 1isx s GLY 817 Ca 0.01 0.51 -0.12 0.00 0.00 0.00 0.00 44.72 45.12 1isx s GLY 817 CO 0.02 1.13 1.57 -0.39 0.00 0.00 0.00 173.10 175.43 1isx h VAL 818 N 3.42 1.27 -0.33 1.40 -1.51 -1.58 0.10 116.25 119.02 1isx h VAL 818 Ca -0.45 -1.19 -0.22 0.00 -1.23 0.00 0.00 66.70 63.61 1isx h VAL 818 Cb 1.20 1.08 -0.09 0.00 -2.13 0.00 0.00 31.29 31.36 1isx h VAL 818 CO 0.68 0.41 0.16 0.61 -1.23 0.00 0.00 177.57 178.20 1isx n GLY 819 N -0.26 3.45 0.00 5.19 0.00 0.01 -3.94 105.19 109.63 1isx n GLY 819 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1isx n GLY 819 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1isx n SER 820 N 1.10 0.00 0.00 1.61 3.41 -1.21 -4.67 113.62 113.86 1isx n SER 820 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1isx n SER 820 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1isx n SER 820 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1isx n GLY 821 N -0.71 2.25 3.89 5.00 0.00 0.35 -5.00 105.19 110.98 1isx n GLY 821 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1isx n GLY 821 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1isx s ARG 822 N -0.27 3.17 0.03 1.61 3.00 -1.26 -4.65 118.95 120.58 1isx s ARG 822 Ca 0.00 0.36 0.01 0.00 0.00 0.00 0.00 55.73 56.09 1isx s ARG 822 Cb 0.00 -2.16 -0.04 0.00 0.00 0.00 0.00 34.95 32.75 1isx s ARG 822 CO 0.00 -0.69 0.11 0.00 0.00 0.00 0.00 175.30 174.72 1isx s LEU 824 N -2.11 4.40 -0.01 0.00 2.96 0.86 -1.99 118.68 122.81 1isx s LEU 824 Ca 0.27 2.69 0.01 0.00 -0.22 0.00 0.00 54.13 56.88 1isx s LEU 824 Cb -0.12 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.02 1isx s LEU 824 CO 0.19 -1.01 -0.01 -0.62 -1.32 0.00 0.00 176.35 173.58 1isx s ASP 825 N 3.19 0.24 -0.24 3.68 -1.08 0.15 -4.52 116.67 118.09 1isx s ASP 825 Ca 0.82 -0.03 -0.24 0.00 -0.52 0.00 0.00 52.55 52.58 1isx s ASP 825 Cb -0.44 -0.05 -0.01 0.00 -1.46 0.00 0.00 42.92 40.96 1isx s ASP 825 CO 0.37 -0.00 0.80 -0.69 0.52 0.00 0.00 175.17 176.17 1isx s VAL 826 N 0.15 4.86 -0.15 1.11 1.01 -0.83 0.05 120.40 126.60 1isx s VAL 826 Ca -0.01 1.51 -0.42 0.00 0.00 0.00 0.00 61.98 63.06 1isx s VAL 826 Cb -0.03 -4.09 -0.20 0.00 0.00 0.00 0.00 36.38 32.06 1isx s VAL 826 CO -0.00 -0.06 1.26 -2.65 0.00 0.00 0.00 175.10 173.65 1isx n PRO 827 N 5.97 0.09 -3.84 2.72 -0.02 -1.26 -1.33 135.00 137.33 1isx n PRO 827 Ca 0.05 0.03 -0.30 0.00 -2.02 0.00 0.00 63.50 61.26 1isx n PRO 827 Cb 0.48 -1.55 -0.02 0.00 -0.02 0.00 0.00 33.50 32.39 1isx n PRO 827 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1isx n ASN 828 N 2.40 -3.18 -2.61 2.55 4.13 -1.26 -1.16 115.26 116.13 1isx n ASN 828 Ca 0.23 -0.71 -0.08 0.00 1.68 0.00 0.00 54.58 55.70 1isx n ASN 828 Cb 0.05 -2.64 -0.01 0.00 -1.54 0.00 0.00 39.78 35.64 1isx n ASN 828 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1isx n ALA 829 N -3.92 -0.92 -1.22 5.41 0.00 -0.44 -4.88 120.51 114.54 1isx n ALA 829 Ca 0.05 0.04 -0.33 0.00 0.00 0.00 0.00 53.44 53.20 1isx n ALA 829 Cb 0.50 -1.14 0.10 0.00 0.00 0.00 0.00 19.45 18.91 1isx n ALA 829 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1isx s SER 830 N -2.11 4.17 -0.09 0.00 0.15 -0.31 -4.94 113.70 110.57 1isx s SER 830 Ca 0.06 2.14 0.14 0.00 0.70 0.00 0.00 55.95 58.99 1isx s SER 830 Cb -0.03 -2.56 0.29 0.00 -1.71 0.00 0.00 66.02 62.01 1isx s SER 830 CO 0.07 -2.27 1.14 0.35 1.20 0.00 0.00 173.24 173.73 1isx n THR 831 N -3.15 1.09 -3.23 6.45 -2.24 -1.26 -4.92 114.28 107.02 1isx n THR 831 Ca 0.12 -1.71 -0.39 0.00 -2.27 0.00 0.00 64.05 59.80 1isx n THR 831 Cb 0.52 0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.91 1isx n THR 831 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1isx s THR 832 N -1.63 5.12 0.29 4.28 2.01 -1.26 -5.03 115.64 119.42 1isx s THR 832 Ca 0.27 1.04 -0.29 0.00 0.31 0.00 0.00 61.69 63.01 1isx s THR 832 Cb 0.27 -3.87 -0.13 0.00 0.01 0.00 0.00 72.50 68.78 1isx s THR 832 CO -0.05 0.23 1.32 0.47 -0.69 0.00 0.00 174.62 175.90 1isx n ASP 833 N 4.31 2.64 0.00 3.53 9.92 -1.26 -2.41 116.55 133.28 1isx n ASP 833 Ca -0.05 1.18 0.00 0.00 -0.53 0.00 0.00 54.79 55.39 1isx n ASP 833 Cb 0.51 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.55 1isx n ASP 833 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1isx n GLY 834 N 1.45 0.78 3.59 0.44 0.00 -0.27 -5.03 105.19 106.15 1isx n GLY 834 Ca 0.08 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1isx n GLY 834 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1isx s THR 835 N -2.00 4.70 0.19 2.61 2.01 -1.01 -4.84 115.64 117.30 1isx s THR 835 Ca 0.00 0.98 -0.30 0.00 0.31 0.00 0.00 61.69 62.68 1isx s THR 835 Cb 0.00 -4.24 -0.09 0.00 0.01 0.00 0.00 72.50 68.18 1isx s THR 835 CO 0.00 -0.44 1.39 -1.58 -0.69 0.00 0.00 174.62 173.29 1isx s GLN 836 N 3.18 4.32 0.74 4.92 0.74 -1.26 -1.90 119.66 130.40 1isx s GLN 836 Ca 0.33 2.16 -0.12 0.00 0.05 0.00 0.00 55.36 57.78 1isx s GLN 836 Cb -0.13 -3.18 0.03 0.00 1.10 0.00 0.00 33.01 30.84 1isx s GLN 836 CO 0.17 -0.37 1.12 0.14 -0.55 0.00 0.00 175.29 175.80 1isx s VAL 837 N 0.36 3.06 0.30 1.34 -7.23 -0.22 -4.39 120.40 113.63 1isx s VAL 837 Ca 0.60 0.35 -0.02 0.00 -1.81 0.00 0.00 61.98 61.09 1isx s VAL 837 Cb -0.39 -3.33 -0.01 0.00 0.56 0.00 0.00 36.38 33.21 1isx s VAL 837 CO 0.38 -0.45 0.39 0.00 -0.31 0.00 0.00 175.10 175.10 1isx s GLN 838 N -5.41 1.71 -0.02 4.82 -2.07 0.11 -2.26 119.66 116.54 1isx s GLN 838 Ca 0.59 -1.69 -0.13 0.00 -1.82 0.00 0.00 55.36 52.31 1isx s GLN 838 Cb -0.11 0.40 -0.05 0.00 -1.09 0.00 0.00 33.01 32.16 1isx s GLN 838 CO 0.51 -0.68 0.35 -0.51 -1.32 0.00 0.00 175.29 173.64 1isx s LEU 839 N -3.21 4.45 -0.13 2.60 1.43 0.84 0.34 118.68 125.00 1isx s LEU 839 Ca 0.32 0.85 -0.30 0.00 -1.03 0.00 0.00 54.13 53.97 1isx s LEU 839 Cb 0.01 -2.52 0.10 0.00 0.03 0.00 0.00 46.19 43.81 1isx s LEU 839 CO 0.18 0.33 0.84 -0.47 0.23 0.00 0.00 176.35 177.46 1isx s TYR 840 N -1.10 -0.53 0.25 0.29 5.04 -0.84 -1.68 117.35 118.78 1isx s TYR 840 Ca 0.23 0.97 -0.28 0.00 -2.44 0.00 0.00 57.07 55.55 1isx s TYR 840 Cb -0.15 0.41 -0.15 0.00 0.35 0.00 0.00 41.96 42.42 1isx s TYR 840 CO 0.12 -0.45 0.86 -0.25 -1.34 0.00 0.00 175.55 174.48 1isx n ASP 841 N 1.04 0.45 -4.80 4.32 8.00 -1.26 0.49 116.55 124.79 1isx n ASP 841 Ca -0.14 1.16 -0.34 0.00 0.71 0.00 0.00 54.79 56.18 1isx n ASP 841 Cb 0.57 -1.17 -0.04 0.00 -0.02 0.00 0.00 41.12 40.46 1isx n ASP 841 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1isx s HIS 843 N -2.07 -0.03 -0.85 0.00 -3.43 -1.26 -5.04 115.29 102.62 1isx s HIS 843 Ca 0.66 -0.01 -0.25 0.00 -0.80 0.00 0.00 55.06 54.66 1isx s HIS 843 Cb -0.15 0.51 -0.00 0.00 -1.43 0.00 0.00 32.58 31.51 1isx s HIS 843 CO 0.21 -0.10 1.69 0.45 -2.00 0.00 0.00 174.74 174.99 1isx s SER 844 N -2.70 5.69 -0.19 7.38 0.15 -1.26 -4.89 113.70 117.88 1isx s SER 844 Ca 0.14 -0.63 -0.08 0.00 0.70 0.00 0.00 55.95 56.07 1isx s SER 844 Cb 0.04 -2.56 0.08 0.00 -1.71 0.00 0.00 66.02 61.87 1isx s SER 844 CO -0.05 -2.19 0.43 0.00 1.20 0.00 0.00 173.24 172.63 1isx s ALA 845 N 7.81 -1.16 0.34 5.45 0.00 -1.26 -5.05 121.76 127.90 1isx s ALA 845 Ca 0.57 1.57 0.15 0.00 0.00 0.00 0.00 51.96 54.26 1isx s ALA 845 Cb -0.06 -1.17 1.11 0.00 0.00 0.00 0.00 23.12 22.99 1isx s ALA 845 CO 0.04 -0.53 1.66 1.79 0.00 0.00 0.00 175.76 178.71 1isx h THR 846 N 5.85 0.28 0.00 0.00 1.35 -1.93 0.32 112.91 118.78 1isx h THR 846 Ca -0.25 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1isx h THR 846 Cb 1.15 -0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 1isx h THR 846 CO 0.20 0.06 0.00 -0.46 -0.25 0.00 0.00 175.52 175.06 1isx n ASN 847 N -5.06 0.05 0.00 5.36 6.94 -1.26 -0.62 115.26 120.67 1isx n ASN 847 Ca 0.32 -0.71 0.00 0.00 -0.02 0.00 0.00 54.58 54.17 1isx n ASN 847 Cb 1.00 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 38.40 1isx n ASN 847 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1isx n GLN 848 N -0.38 0.13 -3.47 -3.83 6.02 0.11 -1.96 117.38 114.01 1isx n GLN 848 Ca 0.00 -0.35 -0.43 0.00 -0.01 0.00 0.00 57.00 56.22 1isx n GLN 848 Cb 0.01 -0.57 -0.07 0.00 1.02 0.00 0.00 30.24 30.63 1isx n GLN 848 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1isx s GLN 849 N -0.07 2.68 -0.00 -1.09 -1.52 0.21 -4.25 119.66 115.62 1isx s GLN 849 Ca 0.00 -1.70 -0.01 0.00 -1.95 0.00 0.00 55.36 51.69 1isx s GLN 849 Cb 0.00 -4.05 -0.04 0.00 -0.22 0.00 0.00 33.01 28.70 1isx s GLN 849 CO 0.00 -1.21 0.13 -1.58 -0.25 0.00 0.00 175.29 172.38 1isx s TRP 850 N 1.46 3.42 -0.11 0.91 0.52 0.91 -4.51 118.94 121.53 1isx s TRP 850 Ca 0.05 0.28 0.03 0.00 0.02 0.00 0.00 56.10 56.47 1isx s TRP 850 Cb -0.27 -1.78 0.00 0.00 -1.15 0.00 0.00 33.47 30.28 1isx s TRP 850 CO 0.01 0.60 -0.23 0.99 0.02 0.00 0.00 176.95 178.34 1isx s THR 851 N -1.28 2.02 -0.35 2.01 2.01 0.39 -3.05 115.64 117.39 1isx s THR 851 Ca 0.26 -0.98 -0.20 0.00 0.31 0.00 0.00 61.69 61.08 1isx s THR 851 Cb -0.12 -1.76 -0.00 0.00 0.01 0.00 0.00 72.50 70.63 1isx s THR 851 CO 0.17 0.55 0.61 -0.47 -0.69 0.00 0.00 174.62 174.79 1isx s TYR 852 N 0.53 3.16 0.50 4.92 5.04 -1.25 -0.91 117.35 129.36 1isx s TYR 852 Ca -0.14 0.34 -0.04 0.00 -2.44 0.00 0.00 57.07 54.79 1isx s TYR 852 Cb -0.17 -3.07 -0.01 0.00 0.35 0.00 0.00 41.96 39.06 1isx s TYR 852 CO 0.05 -0.59 0.78 0.95 -1.34 0.00 0.00 175.55 175.40 1isx s THR 853 N 2.63 4.22 -0.55 4.34 -4.23 -0.25 -4.92 115.64 116.88 1isx s THR 853 Ca 0.23 -0.10 0.15 0.00 -1.18 0.00 0.00 61.69 60.79 1isx s THR 853 Cb -0.15 -3.61 0.15 0.00 1.34 0.00 0.00 72.50 70.23 1isx s THR 853 CO 0.14 -0.55 1.46 0.47 -0.54 0.00 0.00 174.62 175.60 1isx n ASP 854 N -2.30 0.37 -0.62 3.99 8.00 -1.26 -0.24 116.55 124.49 1isx n ASP 854 Ca 0.02 0.65 0.13 0.00 0.71 0.00 0.00 54.79 56.30 1isx n ASP 854 Cb 0.57 -0.70 0.37 0.00 -0.02 0.00 0.00 41.12 41.34 1isx n ASP 854 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1isx n ALA 855 N -1.67 2.58 -0.60 2.24 0.00 -1.26 -1.72 120.51 120.07 1isx n ALA 855 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1isx n ALA 855 Cb 0.07 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1isx n ALA 855 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1isx n GLY 856 N 1.24 0.66 3.90 0.00 0.00 0.67 -4.82 105.19 106.83 1isx n GLY 856 Ca 0.17 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1isx n GLY 856 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1isx s GLU 857 N -0.79 3.67 -0.59 1.61 2.02 -1.25 0.13 118.70 123.50 1isx s GLU 857 Ca 0.00 0.13 0.01 0.00 0.02 0.00 0.00 54.97 55.13 1isx s GLU 857 Cb 0.00 -2.58 0.15 0.00 0.10 0.00 0.00 34.13 31.80 1isx s GLU 857 CO 0.00 0.15 0.37 -0.51 0.02 0.00 0.00 175.26 175.29 1isx s LEU 858 N -3.63 4.78 0.21 1.80 1.43 -1.25 -1.09 118.68 120.93 1isx s LEU 858 Ca 0.46 -3.02 -0.15 0.00 -1.03 0.00 0.00 54.13 50.39 1isx s LEU 858 Cb -0.11 -1.74 -0.08 0.00 0.03 0.00 0.00 46.19 44.29 1isx s LEU 858 CO 0.30 -0.28 0.63 -0.13 0.23 0.00 0.00 176.35 177.10 1isx s ARG 859 N -0.30 4.01 -0.01 1.70 0.52 -0.08 -1.51 118.95 123.29 1isx s ARG 859 Ca 0.18 0.57 0.01 0.00 -0.52 0.00 0.00 55.73 55.97 1isx s ARG 859 Cb -0.22 -2.77 -0.00 0.00 0.52 0.00 0.00 34.95 32.48 1isx s ARG 859 CO -0.03 0.37 -0.04 0.54 0.02 0.00 0.00 175.30 176.16 1isx s VAL 860 N -1.65 0.29 0.00 3.52 0.11 -0.04 -0.46 120.40 122.17 1isx s VAL 860 Ca 0.44 -0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 1isx s VAL 860 Cb -0.14 -0.26 0.00 0.00 -1.53 0.00 0.00 36.38 34.45 1isx s VAL 860 CO 0.20 0.09 0.00 -1.22 -3.33 0.00 0.00 175.10 170.84 1isx n TYR 861 N 3.07 0.00 0.00 1.54 4.01 -1.26 -2.15 117.16 122.37 1isx n TYR 861 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1isx n TYR 861 Cb 0.58 -0.41 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 1isx n TYR 861 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1isx n GLY 862 N -1.99 3.05 0.73 2.72 0.00 -1.26 -4.71 105.19 103.73 1isx n GLY 862 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1isx n GLY 862 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1isx n ASP 863 N 0.20 0.13 -4.31 1.61 2.03 -1.24 -5.06 116.55 109.91 1isx n ASP 863 Ca 0.00 -1.81 -0.32 0.00 0.52 0.00 0.00 54.79 53.19 1isx n ASP 863 Cb 0.00 -0.15 -0.16 0.00 -0.72 0.00 0.00 41.12 40.09 1isx n ASP 863 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1isx s LYS 864 N 0.00 2.50 0.00 -0.67 -0.14 -0.91 -2.84 119.74 117.68 1isx s LYS 864 Ca 0.07 -0.87 0.06 0.00 -1.36 0.00 0.00 55.97 53.86 1isx s LYS 864 Cb 0.08 -2.19 -0.03 0.00 -1.68 0.00 0.00 37.83 34.01 1isx s LYS 864 CO -0.03 0.44 -0.17 0.00 -0.76 0.00 0.00 175.35 174.82 1isx s LEU 866 N -1.11 4.41 0.01 0.00 2.96 -0.57 -0.99 118.68 123.39 1isx s LEU 866 Ca 0.13 2.67 0.05 0.00 -0.22 0.00 0.00 54.13 56.76 1isx s LEU 866 Cb -0.10 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 1isx s LEU 866 CO 0.03 -1.01 -0.15 -0.62 -1.32 0.00 0.00 176.35 173.28 1isx s ASP 867 N 3.44 1.73 -0.19 3.68 -1.08 0.38 -4.41 116.67 120.23 1isx s ASP 867 Ca 0.83 -0.35 -0.00 0.00 -0.52 0.00 0.00 52.55 52.50 1isx s ASP 867 Cb -0.43 -0.16 0.01 0.00 -1.46 0.00 0.00 42.92 40.88 1isx s ASP 867 CO 0.38 0.12 -0.16 0.00 0.52 0.00 0.00 175.17 176.03 1isx s ALA 868 N -0.57 2.45 -1.17 3.66 0.00 -0.89 -0.02 121.76 125.22 1isx s ALA 868 Ca 0.04 -1.21 -0.06 0.00 0.00 0.00 0.00 51.96 50.74 1isx s ALA 868 Cb -0.07 -1.31 0.24 0.00 0.00 0.00 0.00 23.12 21.98 1isx s ALA 868 CO 0.00 -0.37 1.78 0.00 0.00 0.00 0.00 175.76 177.17 1isx n ALA 869 N 4.66 5.57 0.00 0.00 0.00 -1.25 -4.87 120.51 124.63 1isx n ALA 869 Ca -0.20 -4.53 0.00 0.00 0.00 0.00 0.00 53.44 48.71 1isx n ALA 869 Cb 0.50 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.35 1isx n ALA 869 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1isx n GLY 870 N 1.69 2.01 0.00 0.00 0.00 -1.26 -4.80 105.19 102.82 1isx n GLY 870 Ca 0.38 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1isx n GLY 870 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1isx n THR 871 N -1.51 0.00 -2.37 2.61 -2.24 -1.26 -4.84 114.28 104.66 1isx n THR 871 Ca 0.00 -0.29 -0.25 0.00 -2.27 0.00 0.00 64.05 61.23 1isx n THR 871 Cb 0.00 0.86 0.12 0.00 -2.10 0.00 0.00 70.33 69.22 1isx n THR 871 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1isx s GLY 872 N -0.92 1.76 0.51 3.38 0.00 -1.26 -4.79 107.32 106.00 1isx s GLY 872 Ca 0.00 -1.50 -0.21 0.00 0.00 0.00 0.00 44.72 43.01 1isx s GLY 872 CO 0.00 -0.90 1.21 -1.31 0.00 0.00 0.00 173.10 172.10 1isx s ASN 873 N -4.75 5.74 0.00 1.64 -0.87 -1.26 -2.92 114.94 112.53 1isx s ASN 873 Ca 0.67 2.40 0.00 0.00 -1.57 0.00 0.00 52.86 54.36 1isx s ASN 873 Cb -0.06 -2.61 0.00 0.00 -0.02 0.00 0.00 41.25 38.57 1isx s ASN 873 CO 0.46 -1.22 0.00 0.61 -2.57 0.00 0.00 177.10 174.39 1isx n GLY 874 N 0.48 2.91 3.64 0.66 0.00 0.15 -4.97 105.19 108.05 1isx n GLY 874 Ca 0.10 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.61 1isx n GLY 874 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1isx n THR 875 N -2.00 0.09 -2.38 2.61 -1.04 -1.15 -4.57 114.28 105.84 1isx n THR 875 Ca 0.00 -0.02 -0.41 0.00 -2.04 0.00 0.00 64.05 61.58 1isx n THR 875 Cb 0.00 -1.18 -0.04 0.00 -1.82 0.00 0.00 70.33 67.29 1isx n THR 875 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1isx s LYS 876 N 1.30 4.52 -0.24 -2.82 1.02 -1.26 -0.29 119.74 121.96 1isx s LYS 876 Ca 0.85 1.88 -0.15 0.00 0.02 0.00 0.00 55.97 58.57 1isx s LYS 876 Cb -0.86 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 33.19 1isx s LYS 876 CO 0.47 -0.03 0.38 0.08 -0.92 0.00 0.00 175.35 175.33 1isx s VAL 877 N -0.37 5.19 0.04 3.17 1.01 -0.88 -3.86 120.40 124.71 1isx s VAL 877 Ca 0.51 0.61 0.00 0.00 0.00 0.00 0.00 61.98 63.10 1isx s VAL 877 Cb -0.33 -3.70 -0.00 0.00 0.00 0.00 0.00 36.38 32.35 1isx s VAL 877 CO 0.39 0.20 0.02 0.00 0.00 0.00 0.00 175.10 175.70 1isx n GLN 878 N 4.99 0.89 -4.82 2.72 10.64 0.98 -1.05 117.38 131.73 1isx n GLN 878 Ca -0.09 -0.37 -0.33 0.00 -1.83 0.00 0.00 57.00 54.38 1isx n GLN 878 Cb 0.51 0.20 -0.13 0.00 -0.86 0.00 0.00 30.24 29.97 1isx n GLN 878 CO 0.00 0.00 0.00 0.96 -1.83 0.00 0.00 177.06 176.19 1isx s ILE 879 N -1.70 3.19 0.05 -0.39 -4.36 -0.80 0.15 121.20 117.34 1isx s ILE 879 Ca 0.02 -0.70 -0.13 0.00 -0.26 0.00 0.00 60.65 59.59 1isx s ILE 879 Cb 0.00 -2.27 0.02 0.00 1.25 0.00 0.00 42.46 41.46 1isx s ILE 879 CO 0.02 0.58 0.29 -0.47 0.24 0.00 0.00 174.94 175.59 1isx s TYR 880 N -0.76 -0.07 0.19 1.37 5.04 -0.16 -1.11 117.35 121.84 1isx s TYR 880 Ca 0.12 -0.11 -0.33 0.00 -2.44 0.00 0.00 57.07 54.31 1isx s TYR 880 Cb -0.11 0.08 -0.14 0.00 0.35 0.00 0.00 41.96 42.14 1isx s TYR 880 CO 0.01 -0.51 1.47 0.43 -1.34 0.00 0.00 175.55 175.61 1isx n SER 881 N 0.49 2.75 -4.68 4.32 7.64 -1.26 0.69 113.62 123.57 1isx n SER 881 Ca -0.18 1.11 -0.42 0.00 1.01 0.00 0.00 58.87 60.39 1isx n SER 881 Cb 0.60 -1.40 -0.03 0.00 -1.01 0.00 0.00 64.21 62.37 1isx n SER 881 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1isx n TRP 883 N 6.07 0.00 -0.38 0.00 4.27 -1.26 -5.02 117.44 121.12 1isx n TRP 883 Ca 0.16 -0.02 0.00 0.00 -3.89 0.00 0.00 57.50 53.75 1isx n TRP 883 Cb 0.42 -0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.36 1isx n TRP 883 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1isx n GLY 884 N -0.02 0.69 3.71 -1.67 0.00 -1.26 -5.06 105.19 101.59 1isx n GLY 884 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1isx n GLY 884 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1isx n GLY 885 N -2.01 0.36 0.29 -0.02 0.00 -1.26 -4.87 105.19 97.67 1isx n GLY 885 Ca 0.00 -0.23 0.19 0.00 0.00 0.00 0.00 46.02 45.99 1isx n GLY 885 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1isx h ASP 886 N 0.19 0.00 -0.07 1.61 3.32 -1.97 0.54 116.42 120.04 1isx h ASP 886 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1isx h ASP 886 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1isx h ASP 886 CO 0.51 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.57 1isx n ASN 887 N -2.99 0.60 0.00 6.45 6.94 -1.26 -2.67 115.26 122.33 1isx n ASN 887 Ca -0.01 -1.64 0.00 0.00 -0.02 0.00 0.00 54.58 52.90 1isx n ASN 887 Cb 0.17 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 1isx n ASN 887 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1isx n GLN 888 N -0.34 1.41 -4.61 -3.83 6.02 0.18 -2.09 117.38 114.12 1isx n GLN 888 Ca 0.12 -1.09 -0.32 0.00 -0.01 0.00 0.00 57.00 55.69 1isx n GLN 888 Cb 0.14 -0.99 -0.11 0.00 1.02 0.00 0.00 30.24 30.30 1isx n GLN 888 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1isx s LYS 889 N -0.60 2.50 0.08 -1.09 1.02 -1.09 -4.31 119.74 116.25 1isx s LYS 889 Ca 0.00 -0.73 0.02 0.00 0.02 0.00 0.00 55.97 55.28 1isx s LYS 889 Cb 0.00 -2.44 -0.04 0.00 -0.52 0.00 0.00 37.83 34.83 1isx s LYS 889 CO 0.00 0.61 -0.07 -1.58 -0.92 0.00 0.00 175.35 173.39 1isx s TRP 890 N -0.90 0.80 -0.08 3.18 0.52 0.12 -1.58 118.94 121.00 1isx s TRP 890 Ca 0.15 -0.80 0.03 0.00 0.02 0.00 0.00 56.10 55.50 1isx s TRP 890 Cb -0.11 -0.47 -0.02 0.00 -1.15 0.00 0.00 33.47 31.72 1isx s TRP 890 CO 0.05 -0.14 -0.17 1.03 0.02 0.00 0.00 176.95 177.73 1isx s ARG 891 N -3.16 2.82 -0.83 4.98 0.52 -0.15 -4.62 118.95 118.51 1isx s ARG 891 Ca 0.05 -0.76 -0.13 0.00 -0.52 0.00 0.00 55.73 54.38 1isx s ARG 891 Cb 0.01 -2.40 0.22 0.00 0.52 0.00 0.00 34.95 33.30 1isx s ARG 891 CO -0.04 0.41 0.76 -0.51 0.02 0.00 0.00 175.30 175.95 1isx s LEU 892 N -0.19 6.60 0.55 2.53 1.43 -1.26 -1.52 118.68 126.82 1isx s LEU 892 Ca -0.01 -2.78 -0.21 0.00 -1.03 0.00 0.00 54.13 50.10 1isx s LEU 892 Cb -0.13 -2.18 -0.05 0.00 0.03 0.00 0.00 46.19 43.86 1isx s LEU 892 CO 0.03 -0.53 1.32 0.20 0.23 0.00 0.00 176.35 177.60 1isx s ASN 893 N 1.95 5.29 0.63 2.29 0.01 -0.65 -4.88 114.94 119.57 1isx s ASN 893 Ca 0.19 2.66 0.34 0.00 -0.71 0.00 0.00 52.86 55.34 1isx s ASN 893 Cb -0.11 -2.63 1.94 0.00 0.41 0.00 0.00 41.25 40.86 1isx s ASN 893 CO -0.08 -1.55 2.20 0.77 -1.51 0.00 0.00 177.10 176.92 1isx h SER 894 N 1.37 0.00 0.00 -1.22 4.64 -1.96 -0.00 113.55 116.38 1isx h SER 894 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1isx h SER 894 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1isx h SER 894 CO 0.57 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.63 1isx n ASP 895 N -3.46 0.00 0.00 4.97 5.75 -1.26 -4.84 116.55 117.71 1isx n ASP 895 Ca -0.01 -1.58 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 1isx n ASP 895 Cb 0.20 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1isx n ASP 895 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1isx n GLY 896 N 0.54 0.71 3.95 6.12 0.00 -0.02 -4.87 105.19 111.63 1isx n GLY 896 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1isx n GLY 896 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1isx s SER 897 N -2.36 5.81 -0.25 1.61 1.04 -1.23 0.56 113.70 118.88 1isx s SER 897 Ca 0.00 0.36 -0.01 0.00 0.48 0.00 0.00 55.95 56.78 1isx s SER 897 Cb 0.00 -1.57 0.07 0.00 0.10 0.00 0.00 66.02 64.62 1isx s SER 897 CO 0.00 -0.75 0.03 -0.63 0.98 0.00 0.00 173.24 172.87 1isx s ILE 898 N -2.62 0.95 -0.03 -1.02 1.01 -1.26 -1.64 121.20 116.59 1isx s ILE 898 Ca 0.49 -1.05 -0.04 0.00 0.00 0.00 0.00 60.65 60.06 1isx s ILE 898 Cb -0.10 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 1isx s ILE 898 CO 0.39 -0.34 0.17 -0.69 0.00 0.00 0.00 174.94 174.47 1isx s VAL 899 N 1.63 5.45 -0.14 2.92 1.01 -0.58 -1.51 120.40 129.19 1isx s VAL 899 Ca 0.02 -0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 1isx s VAL 899 Cb -0.18 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 1isx s VAL 899 CO -0.13 0.39 1.06 -0.83 0.00 0.00 0.00 175.10 175.59 1isx s GLY 900 N -1.74 2.06 0.16 4.51 0.00 0.22 -0.97 107.32 111.56 1isx s GLY 900 Ca 0.25 0.35 -0.16 0.00 0.00 0.00 0.00 44.72 45.15 1isx s GLY 900 CO 0.15 2.09 1.69 -2.08 0.00 0.00 0.00 173.10 174.95 1isx h VAL 901 N 5.23 0.66 -0.04 1.40 2.07 -1.46 1.01 116.25 125.12 1isx h VAL 901 Ca -0.27 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 1isx h VAL 901 Cb 1.12 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1isx h VAL 901 CO 0.91 0.01 -0.19 -0.61 0.02 0.00 0.00 177.57 177.71 1isx h GLN 902 N 0.06 0.20 0.11 1.57 4.15 -1.74 -3.36 115.11 116.10 1isx h GLN 902 Ca 0.19 -0.16 -0.27 0.00 0.77 0.00 0.00 58.65 59.18 1isx h GLN 902 Cb 0.28 0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.01 1isx h GLN 902 CO -0.36 0.81 -1.20 0.66 -1.93 0.00 0.00 178.83 176.81 1isx h SER 903 N -0.36 0.50 0.00 -0.69 4.64 -1.84 -3.47 113.55 112.32 1isx h SER 903 Ca -0.01 -0.50 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1isx h SER 903 Cb 0.85 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1isx h SER 903 CO 0.04 1.37 0.00 0.61 -0.87 0.00 0.00 176.83 177.98 1isx n GLY 904 N 1.42 0.81 3.96 -0.77 0.00 0.35 -4.97 105.19 105.99 1isx n GLY 904 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 1isx n GLY 904 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1isx s LEU 905 N 0.00 3.80 0.01 0.99 1.02 -1.26 -4.69 118.68 118.56 1isx s LEU 905 Ca 0.00 0.19 -0.00 0.00 0.02 0.00 0.00 54.13 54.34 1isx s LEU 905 Cb 0.00 -3.07 -0.04 0.00 0.02 0.00 0.00 46.19 43.10 1isx s LEU 905 CO 0.00 -0.56 0.10 0.00 0.02 0.00 0.00 176.35 175.91 1isx s LEU 907 N -1.90 4.44 -0.07 0.00 1.43 -0.57 -2.23 118.68 119.78 1isx s LEU 907 Ca 0.25 2.69 0.02 0.00 -1.03 0.00 0.00 54.13 56.06 1isx s LEU 907 Cb -0.12 -3.53 0.01 0.00 0.03 0.00 0.00 46.19 42.58 1isx s LEU 907 CO 0.16 -1.05 -0.13 -0.62 0.23 0.00 0.00 176.35 174.94 1isx s ASP 908 N 4.31 1.87 -0.40 2.29 -1.08 0.18 -4.40 116.67 119.44 1isx s ASP 908 Ca 0.88 -0.31 -0.29 0.00 -0.52 0.00 0.00 52.55 52.31 1isx s ASP 908 Cb -0.43 -0.86 0.02 0.00 -1.46 0.00 0.00 42.92 40.19 1isx s ASP 908 CO 0.41 0.03 1.18 0.00 0.52 0.00 0.00 175.17 177.31 1isx s ALA 909 N 0.70 3.27 0.14 3.66 0.00 -1.05 0.31 121.76 128.79 1isx s ALA 909 Ca -0.14 -0.23 -0.29 0.00 0.00 0.00 0.00 51.96 51.31 1isx s ALA 909 Cb -0.16 -3.82 -0.16 0.00 0.00 0.00 0.00 23.12 18.98 1isx s ALA 909 CO 0.03 -1.98 0.61 0.28 0.00 0.00 0.00 175.76 174.71 1isx n VAL 910 N 6.50 1.35 -1.45 0.00 0.31 -0.62 -0.30 118.33 124.12 1isx n VAL 910 Ca 0.13 -0.34 -0.08 0.00 -0.01 0.00 0.00 64.34 64.04 1isx n VAL 910 Cb 0.48 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.38 1isx n VAL 910 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1isx n GLY 911 N 1.72 0.50 2.82 2.92 0.00 -1.26 -0.11 105.19 111.79 1isx n GLY 911 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 1isx n GLY 911 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1isx n GLY 912 N -0.24 0.87 3.68 -0.02 0.00 0.58 -4.90 105.19 105.16 1isx n GLY 912 Ca -0.08 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1isx n GLY 912 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1isx n GLY 913 N 0.35 0.30 0.00 -0.02 0.00 0.85 -4.92 105.19 101.75 1isx n GLY 913 Ca -0.09 0.07 0.02 0.00 0.00 0.00 0.00 46.02 46.02 1isx n GLY 913 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1isx n THR 914 N -0.78 0.00 -1.19 2.61 -2.24 -1.26 -4.82 114.28 106.60 1isx n THR 914 Ca 0.09 -0.14 -0.33 0.00 -2.27 0.00 0.00 64.05 61.40 1isx n THR 914 Cb 0.42 0.54 0.12 0.00 -2.10 0.00 0.00 70.33 69.31 1isx n THR 914 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1isx s ALA 915 N -2.04 1.93 0.59 6.98 0.00 -1.26 -4.85 121.76 123.10 1isx s ALA 915 Ca -0.01 0.77 -0.20 0.00 0.00 0.00 0.00 51.96 52.53 1isx s ALA 915 Cb 0.02 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 1isx s ALA 915 CO 0.13 -2.15 1.30 -0.80 0.00 0.00 0.00 175.76 174.23 1isx s ASN 916 N -2.29 5.03 0.00 0.00 -0.87 -1.26 -2.46 114.94 113.09 1isx s ASN 916 Ca 0.72 2.62 0.00 0.00 -1.57 0.00 0.00 52.86 54.62 1isx s ASN 916 Cb -0.27 -2.62 0.00 0.00 -0.02 0.00 0.00 41.25 38.34 1isx s ASN 916 CO 0.50 -1.72 0.00 0.61 -2.57 0.00 0.00 177.10 173.92 1isx n GLY 917 N 0.74 0.98 3.67 0.66 0.00 -0.67 -5.01 105.19 105.56 1isx n GLY 917 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1isx n GLY 917 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1isx s THR 918 N -2.87 3.35 0.53 2.61 2.01 -1.03 -4.77 115.64 115.49 1isx s THR 918 Ca 0.00 0.56 -0.18 0.00 0.31 0.00 0.00 61.69 62.39 1isx s THR 918 Cb 0.00 -3.36 -0.06 0.00 0.01 0.00 0.00 72.50 69.08 1isx s THR 918 CO 0.00 -0.03 1.03 -0.76 -0.69 0.00 0.00 174.62 174.16 1isx s LEU 919 N 3.63 3.66 -0.12 4.42 1.43 -1.26 -0.11 118.68 130.32 1isx s LEU 919 Ca 0.75 1.78 -0.06 0.00 -1.03 0.00 0.00 54.13 55.58 1isx s LEU 919 Cb -0.36 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.28 1isx s LEU 919 CO 0.32 -0.87 0.10 -0.63 0.23 0.00 0.00 176.35 175.50 1isx s ILE 920 N -2.34 5.17 0.32 -0.59 -1.09 -0.96 -1.59 121.20 120.13 1isx s ILE 920 Ca 0.63 0.08 0.06 0.00 -2.23 0.00 0.00 60.65 59.20 1isx s ILE 920 Cb -0.14 -3.24 -0.03 0.00 -1.58 0.00 0.00 42.46 37.47 1isx s ILE 920 CO 0.29 0.60 0.29 0.00 -1.23 0.00 0.00 174.94 174.89 1isx s GLN 921 N -0.87 1.74 -0.19 2.79 -2.07 0.15 -2.07 119.66 119.14 1isx s GLN 921 Ca 0.14 -1.98 -0.06 0.00 -1.82 0.00 0.00 55.36 51.63 1isx s GLN 921 Cb -0.12 0.33 -0.03 0.00 -1.09 0.00 0.00 33.01 32.10 1isx s GLN 921 CO 0.03 -0.65 0.03 -0.51 -1.32 0.00 0.00 175.29 172.87 1isx s LEU 922 N -3.35 3.52 0.06 2.60 1.43 0.60 0.47 118.68 124.01 1isx s LEU 922 Ca 0.40 -0.07 -0.08 0.00 -1.03 0.00 0.00 54.13 53.36 1isx s LEU 922 Cb 0.02 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 1isx s LEU 922 CO 0.26 0.12 0.15 -0.47 0.23 0.00 0.00 176.35 176.64 1isx s TYR 923 N 0.70 0.16 0.20 0.29 5.04 -0.94 0.30 117.35 123.10 1isx s TYR 923 Ca 0.02 -0.51 -0.31 0.00 -2.44 0.00 0.00 57.07 53.82 1isx s TYR 923 Cb -0.14 -0.10 -0.16 0.00 0.35 0.00 0.00 41.96 41.92 1isx s TYR 923 CO 0.02 -0.46 1.02 0.43 -1.34 0.00 0.00 175.55 175.22 1isx n SER 924 N 0.37 0.83 -4.76 4.32 7.64 -1.26 -1.30 113.62 119.45 1isx n SER 924 Ca -0.17 1.15 -0.39 0.00 1.01 0.00 0.00 58.87 60.47 1isx n SER 924 Cb 0.60 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 1isx n SER 924 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1isx n SER 926 N -0.23 0.00 0.00 0.00 7.64 -1.26 -5.03 113.62 114.74 1isx n SER 926 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1isx n SER 926 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1isx n SER 926 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1isx n ASN 927 N 0.00 0.00 -4.76 6.43 3.02 -1.26 -5.11 115.26 113.58 1isx n ASN 927 Ca 0.00 -1.00 -0.39 0.00 -0.03 0.00 0.00 54.58 53.16 1isx n ASN 927 Cb 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 1isx n ASN 927 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1isx s GLY 928 N 0.00 2.88 0.04 7.41 0.00 -1.26 -4.85 107.32 111.55 1isx s GLY 928 Ca 0.00 1.26 0.02 0.00 0.00 0.00 0.00 44.72 46.01 1isx s GLY 928 CO 0.00 1.81 1.01 -1.14 0.00 0.00 0.00 173.10 174.78 1isx n SER 929 N -0.45 0.06 -0.89 1.64 3.41 -1.26 -0.52 113.62 115.61 1isx n SER 929 Ca 0.07 0.47 0.05 0.00 -0.26 0.00 0.00 58.87 59.19 1isx n SER 929 Cb 0.44 -0.47 0.18 0.00 -0.26 0.00 0.00 64.21 64.10 1isx n SER 929 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1isx n ASN 930 N -1.53 2.54 0.00 4.04 6.94 -1.26 -0.81 115.26 125.18 1isx n ASN 930 Ca -0.00 -2.19 0.00 0.00 -0.02 0.00 0.00 54.58 52.37 1isx n ASN 930 Cb 0.08 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.11 1isx n ASN 930 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1isx n GLN 931 N 0.47 0.79 -3.74 -3.83 6.02 0.32 -2.52 117.38 114.89 1isx n GLN 931 Ca 0.13 -0.03 -0.36 0.00 -0.01 0.00 0.00 57.00 56.73 1isx n GLN 931 Cb 0.48 -0.23 -0.06 0.00 1.02 0.00 0.00 30.24 31.45 1isx n GLN 931 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1isx s ARG 932 N -0.12 3.61 0.10 -1.09 3.00 -1.20 -4.09 118.95 119.15 1isx s ARG 932 Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 55.73 55.79 1isx s ARG 932 Cb 0.00 -3.16 -0.04 0.00 0.00 0.00 0.00 34.95 31.75 1isx s ARG 932 CO 0.00 0.71 -0.09 -1.58 0.00 0.00 0.00 175.30 174.34 1isx s TRP 933 N -1.14 0.99 -0.12 -0.53 0.52 0.19 -2.35 118.94 116.50 1isx s TRP 933 Ca 0.22 -0.72 0.02 0.00 0.02 0.00 0.00 56.10 55.63 1isx s TRP 933 Cb -0.14 -0.55 0.02 0.00 -1.15 0.00 0.00 33.47 31.65 1isx s TRP 933 CO 0.11 -0.04 -0.17 0.99 0.02 0.00 0.00 176.95 177.86 1isx s THR 934 N -2.76 1.64 0.43 2.01 2.01 0.34 -4.73 115.64 114.58 1isx s THR 934 Ca 0.07 -0.72 -0.24 0.00 0.31 0.00 0.00 61.69 61.11 1isx s THR 934 Cb -0.01 -1.49 -0.08 0.00 0.01 0.00 0.00 72.50 70.93 1isx s THR 934 CO -0.01 0.47 1.18 -0.13 -0.69 0.00 0.00 174.62 175.43 1isx s ARG 935 N 1.04 3.91 0.00 4.92 1.81 -1.26 -2.40 118.95 126.98 1isx s ARG 935 Ca -0.04 1.83 0.00 0.00 -1.72 0.00 0.00 55.73 55.80 1isx s ARG 935 Cb -0.15 -2.56 0.00 0.00 -0.45 0.00 0.00 34.95 31.79 1isx s ARG 935 CO -0.03 -0.44 0.00 2.41 -0.68 0.00 0.00 175.30 176.56