#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n7i s ASP 515 N 0.00 6.07 -0.07 3.54 -1.08 -1.26 -5.02 116.67 118.86 1n7i s ASP 515 Ca 0.00 0.20 -0.02 0.00 -0.52 0.00 0.00 52.55 52.21 1n7i s ASP 515 Cb 0.00 -2.06 -0.01 0.00 -1.46 0.00 0.00 42.92 39.39 1n7i s ASP 515 CO 0.00 0.19 0.11 0.77 0.52 0.00 0.00 175.17 176.76 1n7i h SER 516 N 6.62 -0.07 -0.37 -0.34 4.64 -2.04 -3.40 113.55 118.60 1n7i h SER 516 Ca -0.40 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.99 1n7i h SER 516 Cb 1.16 0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 63.20 1n7i h SER 516 CO 0.74 0.30 -0.11 0.00 -0.87 0.00 0.00 176.83 176.88 1n7i n ALA 517 N -2.58 0.03 -0.00 5.18 0.00 -1.26 -2.43 120.51 119.44 1n7i n ALA 517 Ca -0.01 0.39 -0.01 0.00 0.00 0.00 0.00 53.44 53.82 1n7i n ALA 517 Cb 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 19.45 19.27 1n7i n ALA 517 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1n7i h PRO 518 N 0.00 -0.02 -0.51 0.00 0.11 -2.00 0.43 132.00 130.02 1n7i h PRO 518 Ca 0.16 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.36 1n7i h PRO 518 Cb 0.25 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.29 1n7i h PRO 518 CO -0.38 -0.01 0.10 0.78 -0.21 0.00 0.00 178.00 178.29 1n7i h GLY 519 N -0.02 0.62 0.13 -0.55 0.00 -1.75 -0.94 103.07 100.57 1n7i h GLY 519 Ca 0.00 -0.03 0.12 0.00 0.00 0.00 0.00 47.33 47.43 1n7i h GLY 519 CO -0.02 -0.07 0.13 1.46 0.00 0.00 0.00 176.54 178.04 1n7i h GLN 520 N 0.24 0.25 -0.69 4.80 4.20 -1.34 0.05 115.11 122.62 1n7i h GLN 520 Ca 0.26 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.93 1n7i h GLN 520 Cb 0.34 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 1n7i h GLN 520 CO -0.33 0.17 0.35 0.00 -0.67 0.00 0.00 178.83 178.34 1n7i h ALA 521 N 1.51 0.89 -0.27 3.87 0.00 0.83 -0.01 119.26 126.08 1n7i h ALA 521 Ca 0.33 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1n7i h ALA 521 Cb 0.51 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 1n7i h ALA 521 CO -0.43 0.44 -0.23 0.00 0.00 0.00 0.00 179.25 179.03 1n7i h ALA 522 N 1.17 -0.09 -0.11 0.00 0.00 0.27 0.20 119.26 120.69 1n7i h ALA 522 Ca 0.24 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1n7i h ALA 522 Cb 0.10 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1n7i h ALA 522 CO -0.03 -0.65 0.07 0.28 0.00 0.00 0.00 179.25 178.91 1n7i h VAL 523 N -0.23 1.07 -0.25 0.00 2.07 -0.85 0.18 116.25 118.25 1n7i h VAL 523 Ca 0.15 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1n7i h VAL 523 Cb 0.45 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1n7i h VAL 523 CO -0.40 0.07 -0.03 0.00 0.02 0.00 0.00 177.57 177.22 1n7i h ALA 524 N 0.98 0.19 -0.67 1.67 0.00 -0.51 -0.75 119.26 120.17 1n7i h ALA 524 Ca 0.04 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1n7i h ALA 524 Cb 0.05 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1n7i h ALA 524 CO -0.01 -0.45 0.44 1.03 0.00 0.00 0.00 179.25 180.26 1n7i h SER 525 N 0.03 0.76 0.25 0.00 0.87 -0.42 -2.52 113.55 112.51 1n7i h SER 525 Ca 0.12 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1n7i h SER 525 Cb 0.17 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1n7i h SER 525 CO -0.23 0.55 -0.14 0.00 -0.53 0.00 0.00 176.83 176.47 1n7i h ALA 526 N 1.25 1.49 0.00 6.23 0.00 0.10 -2.77 119.26 125.55 1n7i h ALA 526 Ca 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1n7i h ALA 526 Cb -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1n7i h ALA 526 CO -0.06 0.18 -0.23 0.66 0.00 0.00 0.00 179.25 179.80 1n7i n TYR 527 N -3.97 0.19 0.74 0.00 4.02 -0.36 -3.43 117.16 114.36 1n7i n TYR 527 Ca -0.02 0.06 0.08 0.00 -0.01 0.00 0.00 57.90 58.00 1n7i n TYR 527 Cb 0.23 -0.50 0.40 0.00 -0.02 0.00 0.00 39.34 39.45 1n7i n TYR 527 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1n7i n GLN 528 N -1.68 0.21 -0.26 -0.72 1.13 -1.05 -1.41 117.38 113.60 1n7i n GLN 528 Ca 0.06 0.14 0.07 0.00 -1.94 0.00 0.00 57.00 55.33 1n7i n GLN 528 Cb 0.36 -1.50 0.20 0.00 0.11 0.00 0.00 30.24 29.41 1n7i n GLN 528 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1n7i n ARG 529 N -1.31 2.93 -2.22 -1.09 3.00 -1.22 -5.00 116.66 111.75 1n7i n ARG 529 Ca 0.07 -2.28 -0.42 0.00 -0.01 0.00 0.00 57.85 55.21 1n7i n ARG 529 Cb 0.13 -1.42 -0.03 0.00 0.00 0.00 0.00 32.46 31.14 1n7i n ARG 529 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 1n7i s PHE 530 N -1.33 3.14 -0.57 -1.55 5.36 -0.50 -3.57 117.98 118.97 1n7i s PHE 530 Ca 0.30 0.95 -0.03 0.00 -0.96 0.00 0.00 56.93 57.19 1n7i s PHE 530 Cb 0.18 -3.64 0.15 0.00 -0.34 0.00 0.00 43.02 39.36 1n7i s PHE 530 CO 0.17 -2.27 0.38 -1.21 -1.46 0.00 0.00 175.22 170.83 1n7i s GLU 531 N 1.50 2.43 0.14 10.12 2.02 0.58 -5.00 118.70 130.49 1n7i s GLU 531 Ca 0.64 -2.35 -0.24 0.00 0.02 0.00 0.00 54.97 53.04 1n7i s GLU 531 Cb -0.34 -3.70 -0.02 0.00 0.10 0.00 0.00 34.13 30.16 1n7i s GLU 531 CO 0.29 -1.15 1.25 -2.30 0.02 0.00 0.00 175.26 173.37 1n7i n PRO 532 N 3.77 -0.33 -0.21 0.39 -0.02 -1.26 -0.23 135.00 137.10 1n7i n PRO 532 Ca 0.05 1.23 0.02 0.00 -2.02 0.00 0.00 63.50 62.78 1n7i n PRO 532 Cb 0.39 -1.81 0.27 0.00 -0.02 0.00 0.00 33.50 32.32 1n7i n PRO 532 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n7i h ARG 533 N 0.00 0.93 -0.18 -0.52 2.47 -1.96 0.25 114.38 115.38 1n7i h ARG 533 Ca 0.15 -0.06 -0.09 0.00 -1.26 0.00 0.00 59.98 58.72 1n7i h ARG 533 Cb 0.36 -0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 28.46 1n7i h ARG 533 CO -0.77 0.61 -0.24 0.00 0.56 0.00 0.00 179.97 180.13 1n7i h ALA 534 N 1.55 0.27 -0.54 0.04 0.00 -1.14 -0.42 119.26 119.02 1n7i h ALA 534 Ca 0.29 -0.38 0.10 0.00 0.00 0.00 0.00 54.91 54.92 1n7i h ALA 534 Cb -0.02 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.64 1n7i h ALA 534 CO -0.07 0.24 0.10 -0.92 0.00 0.00 0.00 179.25 178.60 1n7i h TYR 535 N 0.13 0.16 -0.00 0.00 3.20 0.25 -0.32 116.97 120.39 1n7i h TYR 535 Ca 0.02 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 1n7i h TYR 535 Cb 0.81 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.09 1n7i h TYR 535 CO 0.09 -0.02 0.00 -0.07 -1.64 0.00 0.00 178.16 176.52 1n7i h LEU 536 N 0.24 0.00 -0.42 2.82 3.38 -0.43 -1.88 115.31 119.02 1n7i h LEU 536 Ca 0.28 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.21 1n7i h LEU 536 Cb 0.39 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 1n7i h LEU 536 CO -0.36 0.12 -0.10 -0.09 0.09 0.00 0.00 178.44 178.10 1n7i h ARG 537 N -0.11 0.00 -0.41 1.13 2.43 -0.29 0.24 114.38 117.38 1n7i h ARG 537 Ca 0.00 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 1n7i h ARG 537 Cb 0.12 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1n7i h ARG 537 CO -0.00 0.00 -0.30 -0.91 -1.51 0.00 0.00 179.97 177.26 1n7i h ASN 538 N 0.01 0.94 0.00 -3.80 2.35 -0.99 -3.21 115.58 110.87 1n7i h ASN 538 Ca 0.20 -0.39 -0.12 0.00 -0.55 0.00 0.00 56.30 55.45 1n7i h ASN 538 Cb 0.31 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1n7i h ASN 538 CO -0.43 1.16 -1.97 0.59 -1.65 0.00 0.00 177.43 175.13 1n7i n ASN 539 N -4.08 0.78 -0.08 5.81 3.02 -0.72 -4.68 115.26 115.32 1n7i n ASN 539 Ca -0.01 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.55 1n7i n ASN 539 Cb 0.49 1.49 0.01 0.00 -0.61 0.00 0.00 39.78 41.17 1n7i n ASN 539 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1n7i n TYR 540 N -2.33 0.03 -4.10 3.10 4.02 0.84 -4.38 117.16 114.34 1n7i n TYR 540 Ca -0.13 -0.26 -0.22 0.00 -0.01 0.00 0.00 57.90 57.29 1n7i n TYR 540 Cb 0.70 -0.02 -0.05 0.00 -0.02 0.00 0.00 39.34 39.95 1n7i n TYR 540 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n7i s ALA 541 N -0.58 3.57 0.74 -0.72 0.00 -1.14 -4.07 121.76 119.57 1n7i s ALA 541 Ca 0.03 -1.47 -0.16 0.00 0.00 0.00 0.00 51.96 50.35 1n7i s ALA 541 Cb 0.01 -1.23 -0.05 0.00 0.00 0.00 0.00 23.12 21.86 1n7i s ALA 541 CO 0.02 0.22 0.36 -2.30 0.00 0.00 0.00 175.76 174.06 1n7i n PRO 542 N -1.17 0.20 0.16 0.00 -0.02 -1.26 -0.87 135.00 132.03 1n7i n PRO 542 Ca -0.07 0.10 0.03 0.00 -2.02 0.00 0.00 63.50 61.54 1n7i n PRO 542 Cb 0.58 -1.70 0.18 0.00 -0.02 0.00 0.00 33.50 32.55 1n7i n PRO 542 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1n7i h PRO 543 N -0.49 0.00 -0.49 0.52 0.11 -1.93 -3.42 132.00 126.30 1n7i h PRO 543 Ca -0.45 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1n7i h PRO 543 Cb 1.35 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.43 1n7i h PRO 543 CO 0.40 0.49 0.20 0.00 -0.21 0.00 0.00 178.00 178.88 1n7i h ARG 544 N 0.00 0.70 -0.07 1.05 3.08 -1.85 -1.89 114.38 115.41 1n7i h ARG 544 Ca -0.00 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1n7i h ARG 544 Cb 1.15 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1n7i h ARG 544 CO 0.06 0.58 0.00 0.41 -1.07 0.00 0.00 179.97 179.95 1n7i n GLY 545 N -1.12 -0.57 3.45 0.04 0.00 -0.05 -4.11 105.19 102.83 1n7i n GLY 545 Ca 0.04 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1n7i n GLY 545 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n7i s ASP 546 N -1.38 6.22 0.00 1.61 2.15 -0.71 -4.48 116.67 120.08 1n7i s ASP 546 Ca 0.22 -0.91 0.09 0.00 0.43 0.00 0.00 52.55 52.37 1n7i s ASP 546 Cb 0.11 -2.38 0.49 0.00 -0.30 0.00 0.00 42.92 40.84 1n7i s ASP 546 CO 0.17 -1.23 1.32 0.18 -0.17 0.00 0.00 175.17 175.44 1n7i n LEU 547 N 7.11 0.12 -0.03 -1.34 4.77 -1.26 -3.70 117.00 122.67 1n7i n LEU 547 Ca -0.04 -0.06 -0.15 0.00 -0.03 0.00 0.00 56.01 55.73 1n7i n LEU 547 Cb 0.45 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.44 1n7i n LEU 547 CO 0.61 0.03 0.45 0.00 -1.33 0.00 0.00 177.39 177.15 1n7i s ASN 549 N -6.35 6.20 0.10 0.00 3.84 -1.24 -4.82 114.94 112.67 1n7i s ASN 549 Ca -0.14 2.13 0.18 0.00 0.21 0.00 0.00 52.86 55.23 1n7i s ASN 549 Cb 0.03 -2.53 0.75 0.00 -0.55 0.00 0.00 41.25 38.96 1n7i s ASN 549 CO 0.77 -1.33 1.55 -0.81 -2.79 0.00 0.00 177.10 174.49 1n7i n PRO 550 N 7.84 0.08 -0.91 0.43 -0.04 -1.26 -2.51 135.00 138.62 1n7i n PRO 550 Ca 0.22 0.33 -0.01 0.00 -0.04 0.00 0.00 63.50 63.99 1n7i n PRO 550 Cb 0.43 -1.65 0.31 0.00 -0.04 0.00 0.00 33.50 32.56 1n7i n PRO 550 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1n7i n ASN 551 N -1.79 4.75 -5.00 3.54 3.02 -1.26 -4.73 115.26 113.79 1n7i n ASN 551 Ca 0.03 -3.18 -0.18 0.00 -0.03 0.00 0.00 54.58 51.22 1n7i n ASN 551 Cb 0.19 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 1n7i n ASN 551 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1n7i s GLY 552 N -1.22 1.70 0.21 7.41 0.00 -1.04 -4.95 107.32 109.43 1n7i s GLY 552 Ca 0.53 -1.51 -0.09 0.00 0.00 0.00 0.00 44.72 43.64 1n7i s GLY 552 CO 0.12 -1.39 1.83 -2.08 0.00 0.00 0.00 173.10 171.58 1n7i h VAL 553 N 0.80 1.04 0.07 1.40 2.07 -1.90 -2.31 116.25 117.41 1n7i h VAL 553 Ca -0.44 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 1n7i h VAL 553 Cb 1.26 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1n7i h VAL 553 CO 0.51 0.15 -0.10 1.23 0.02 0.00 0.00 177.57 179.37 1n7i h GLY 554 N 0.80 -0.98 -0.15 2.17 0.00 -1.91 -0.57 103.07 102.42 1n7i h GLY 554 Ca 0.30 0.44 0.12 0.00 0.00 0.00 0.00 47.33 48.18 1n7i h GLY 554 CO -0.14 -0.35 -0.12 -2.55 0.00 0.00 0.00 176.54 173.38 1n7i h PRO 555 N -0.18 0.02 -0.14 4.80 0.11 -1.83 -2.18 132.00 132.59 1n7i h PRO 555 Ca -0.01 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.15 1n7i h PRO 555 Cb 0.17 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.22 1n7i h PRO 555 CO -0.03 0.01 -0.18 2.35 -0.21 0.00 0.00 178.00 179.94 1n7i h TRP 556 N 0.02 -0.47 -0.14 0.65 7.01 -1.20 0.27 115.95 122.08 1n7i h TRP 556 Ca 0.29 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.31 1n7i h TRP 556 Cb 0.45 0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.73 1n7i h TRP 556 CO -0.46 -0.26 0.08 0.87 -2.79 0.00 0.00 178.44 175.88 1n7i h LYS 557 N -0.22 0.20 -0.71 2.65 1.57 -0.64 0.86 116.57 120.27 1n7i h LYS 557 Ca 0.10 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 1n7i h LYS 557 Cb 0.38 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 1n7i h LYS 557 CO -0.28 0.20 0.43 -0.07 -0.57 0.00 0.00 179.45 179.16 1n7i h LEU 558 N 0.14 0.68 -0.37 2.94 3.38 -1.15 -1.71 115.31 119.22 1n7i h LEU 558 Ca 0.05 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1n7i h LEU 558 Cb 0.06 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1n7i h LEU 558 CO -0.01 0.45 0.19 -0.09 0.09 0.00 0.00 178.44 179.07 1n7i h ARG 559 N 0.81 0.37 -0.35 1.13 2.43 -0.07 0.60 114.38 119.31 1n7i h ARG 559 Ca 0.30 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.46 1n7i h ARG 559 Cb 0.10 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1n7i h ARG 559 CO -0.14 0.25 0.22 0.00 -1.51 0.00 0.00 179.97 178.78 1n7i h LEU 561 N 0.44 0.10 0.09 0.00 3.38 -0.98 -2.43 115.31 115.91 1n7i h LEU 561 Ca 0.13 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1n7i h LEU 561 Cb -0.02 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1n7i h LEU 561 CO -0.05 0.22 -0.15 0.00 0.09 0.00 0.00 178.44 178.55 1n7i h ALA 562 N 0.89 -0.25 -0.97 1.53 0.00 -0.71 -1.92 119.26 117.83 1n7i h ALA 562 Ca 0.03 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1n7i h ALA 562 Cb 0.15 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 1n7i h ALA 562 CO -0.00 -0.67 0.62 1.96 0.00 0.00 0.00 179.25 181.15 1n7i h GLN 563 N -0.30 1.09 0.38 0.00 4.20 -1.26 -0.26 115.11 118.95 1n7i h GLN 563 Ca 0.02 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1n7i h GLN 563 Cb 0.32 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1n7i h GLN 563 CO -0.09 0.72 -0.18 1.15 -0.67 0.00 0.00 178.83 179.76 1n7i h THR 564 N 1.12 0.62 0.00 -0.54 2.02 -1.08 -2.82 112.91 112.22 1n7i h THR 564 Ca 0.42 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 1n7i h THR 564 Cb 0.18 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1n7i h THR 564 CO -0.18 0.07 -0.07 -0.26 0.37 0.00 0.00 175.52 175.45 1n7i h PHE 565 N -0.71 0.00 0.00 3.16 -1.00 -1.18 -1.77 116.94 115.44 1n7i h PHE 565 Ca -0.05 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.72 1n7i h PHE 565 Cb 0.50 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.06 1n7i h PHE 565 CO -0.00 0.07 -0.03 0.00 -1.61 0.00 0.00 178.31 176.74 1n7i h ALA 566 N 1.93 1.04 0.00 2.45 0.00 -0.80 -0.57 119.26 123.31 1n7i h ALA 566 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n7i h ALA 566 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1n7i h ALA 566 CO 0.01 0.03 0.00 0.25 0.00 0.00 0.00 179.25 179.54 1n7i n THR 567 N -3.17 0.01 -1.12 0.00 -2.24 -0.66 -4.89 114.28 102.21 1n7i n THR 567 Ca -0.01 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 1n7i n THR 567 Cb 0.23 -0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 67.92 1n7i n THR 567 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n7i n GLY 568 N 1.01 0.55 0.33 3.38 0.00 -0.22 -4.84 105.19 105.41 1n7i n GLY 568 Ca 0.21 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.36 1n7i n GLY 568 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n7i n GLU 569 N -0.03 1.06 -3.71 1.61 1.02 -1.26 -4.63 120.64 114.70 1n7i n GLU 569 Ca -0.06 -0.67 -0.37 0.00 -0.02 0.00 0.00 57.16 56.04 1n7i n GLU 569 Cb 0.52 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.35 1n7i n GLU 569 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1n7i s VAL 570 N -2.40 3.71 0.29 2.62 1.01 -1.26 -5.00 120.40 119.35 1n7i s VAL 570 Ca 0.26 -2.75 0.03 0.00 0.00 0.00 0.00 61.98 59.52 1n7i s VAL 570 Cb 0.19 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1n7i s VAL 570 CO 0.49 -0.85 0.18 -0.94 0.00 0.00 0.00 175.10 173.98 1n7i s SER 571 N 1.00 1.29 0.00 3.32 1.04 -1.26 -4.97 113.70 114.12 1n7i s SER 571 Ca 0.15 -1.56 0.00 0.00 0.48 0.00 0.00 55.95 55.02 1n7i s SER 571 Cb -0.21 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1n7i s SER 571 CO -0.04 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.88 1n7i n GLY 572 N -0.53 0.32 0.32 7.32 0.00 -1.25 -4.82 105.19 106.55 1n7i n GLY 572 Ca 0.02 -1.57 -0.19 0.00 0.00 0.00 0.00 46.02 44.28 1n7i n GLY 572 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n7i n ARG 573 N 0.00 0.43 -4.45 1.61 3.00 -1.26 -4.34 116.66 111.64 1n7i n ARG 573 Ca 0.00 0.17 -0.34 0.00 -0.01 0.00 0.00 57.85 57.66 1n7i n ARG 573 Cb 0.00 -1.24 -0.10 0.00 0.00 0.00 0.00 32.46 31.12 1n7i n ARG 573 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1n7i s THR 574 N -2.36 4.09 0.01 0.55 -4.23 -1.26 -0.86 115.64 111.58 1n7i s THR 574 Ca -0.27 -0.33 -0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1n7i s THR 574 Cb 0.10 -2.71 -0.01 0.00 1.34 0.00 0.00 72.50 71.21 1n7i s THR 574 CO 0.37 0.59 -0.01 -0.22 -0.54 0.00 0.00 174.62 174.81 1n7i s LEU 575 N -0.73 2.11 -0.04 4.79 0.20 -0.75 0.02 118.68 124.28 1n7i s LEU 575 Ca 0.11 -0.28 0.04 0.00 0.69 0.00 0.00 54.13 54.70 1n7i s LEU 575 Cb -0.11 0.09 -0.00 0.00 -0.43 0.00 0.00 46.19 45.73 1n7i s LEU 575 CO 0.02 -0.18 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.10 1n7i s ILE 576 N -0.85 1.38 -0.42 6.68 1.01 -0.92 -1.38 121.20 126.71 1n7i s ILE 576 Ca -0.09 -0.70 -0.12 0.00 0.00 0.00 0.00 60.65 59.73 1n7i s ILE 576 Cb -0.06 -1.18 0.05 0.00 0.01 0.00 0.00 42.46 41.28 1n7i s ILE 576 CO -0.01 0.40 0.29 -0.62 0.00 0.00 0.00 174.94 175.00 1n7i s ASP 577 N -0.04 5.89 -0.26 3.58 2.15 0.51 -0.67 116.67 127.83 1n7i s ASP 577 Ca -0.02 -1.19 -0.29 0.00 0.43 0.00 0.00 52.55 51.48 1n7i s ASP 577 Cb -0.10 -2.08 0.01 0.00 -0.30 0.00 0.00 42.92 40.44 1n7i s ASP 577 CO 0.02 -0.50 1.14 -0.63 -0.17 0.00 0.00 175.17 175.03 1n7i s ILE 578 N 1.57 4.45 -0.91 4.11 -1.09 0.11 -2.94 121.20 126.50 1n7i s ILE 578 Ca 0.03 1.71 -0.03 0.00 -2.23 0.00 0.00 60.65 60.13 1n7i s ILE 578 Cb -0.21 -4.25 -0.03 0.00 -1.58 0.00 0.00 42.46 36.38 1n7i s ILE 578 CO 0.06 -0.32 0.78 0.61 -1.23 0.00 0.00 174.94 174.84 1n7i n GLY 579 N 3.73 -0.51 0.36 6.18 0.00 -1.24 -4.28 105.19 109.42 1n7i n GLY 579 Ca 0.13 0.22 0.07 0.00 0.00 0.00 0.00 46.02 46.45 1n7i n GLY 579 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1n7i h SER 580 N -1.18 0.68 0.00 1.61 0.02 -0.19 -3.44 113.55 111.04 1n7i h SER 580 Ca -0.49 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1n7i h SER 580 Cb 1.26 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1n7i h SER 580 CO 0.38 0.42 0.00 0.61 -1.14 0.00 0.00 176.83 177.10 1n7i n GLY 581 N -1.44 0.31 2.23 -3.77 0.00 -1.24 -2.89 105.19 98.39 1n7i n GLY 581 Ca 0.12 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 1n7i n GLY 581 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n7i n PRO 582 N 0.00 2.42 -4.49 1.61 -0.04 -1.26 -4.69 135.00 128.55 1n7i n PRO 582 Ca 0.00 -2.98 -0.24 0.00 -0.04 0.00 0.00 63.50 60.24 1n7i n PRO 582 Cb 0.00 -2.17 -0.10 0.00 -0.04 0.00 0.00 33.50 31.19 1n7i n PRO 582 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1n7i s THR 583 N -3.96 2.39 0.00 0.52 -4.23 -1.14 -4.87 115.64 104.35 1n7i s THR 583 Ca 0.58 -2.34 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1n7i s THR 583 Cb 0.47 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.91 1n7i s THR 583 CO 0.03 -0.34 0.00 0.52 -0.54 0.00 0.00 174.62 174.29 1n7i n VAL 584 N -0.67 0.00 -0.25 2.29 0.31 -1.26 -4.82 118.33 113.92 1n7i n VAL 584 Ca -0.05 0.00 0.21 0.00 -0.01 0.00 0.00 64.34 64.49 1n7i n VAL 584 Cb 0.61 -0.78 0.36 0.00 -0.91 0.00 0.00 33.84 33.12 1n7i n VAL 584 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n7i n TYR 585 N -2.55 0.35 0.29 3.52 0.18 -1.26 0.16 117.16 117.86 1n7i n TYR 585 Ca 0.00 0.35 0.16 0.00 1.88 0.00 0.00 57.90 60.29 1n7i n TYR 585 Cb 0.39 -0.72 0.78 0.00 -0.38 0.00 0.00 39.34 39.41 1n7i n TYR 585 CO 0.00 0.00 0.00 -0.56 -2.08 0.00 0.00 176.86 174.22 1n7i h GLN 586 N 0.00 0.00 -0.03 -3.48 3.07 -1.99 -3.04 115.11 109.64 1n7i h GLN 586 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.20 1n7i h GLN 586 Cb 1.52 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.08 1n7i h GLN 586 CO -0.23 0.00 0.00 1.28 0.09 0.00 0.00 178.83 179.97 1n7i n LEU 587 N -2.70 1.61 0.17 0.06 4.77 0.44 -4.74 117.00 116.61 1n7i n LEU 587 Ca -0.01 -1.12 -0.15 0.00 -0.03 0.00 0.00 56.01 54.71 1n7i n LEU 587 Cb 0.15 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.14 1n7i n LEU 587 CO 0.19 0.35 0.52 -0.07 -1.33 0.00 0.00 177.39 177.04 1n7i h LEU 588 N 1.13 -1.25 -0.42 2.23 4.07 -1.59 -0.41 115.31 119.07 1n7i h LEU 588 Ca 0.00 0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1n7i h LEU 588 Cb 0.29 0.44 0.00 0.00 1.08 0.00 0.00 40.66 42.46 1n7i h LEU 588 CO 0.00 -0.52 0.00 -1.20 -1.08 0.00 0.00 178.44 175.64 1n7i n SER 589 N -4.98 0.69 0.06 -0.43 7.64 -1.26 -3.58 113.62 111.76 1n7i n SER 589 Ca -0.09 0.63 -0.22 0.00 1.01 0.00 0.00 58.87 60.20 1n7i n SER 589 Cb 0.37 -0.79 -0.15 0.00 -1.01 0.00 0.00 64.21 62.63 1n7i n SER 589 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n7i h ALA 590 N 2.38 -0.02 -1.05 -0.43 0.00 -1.75 -3.37 119.26 115.02 1n7i h ALA 590 Ca 0.00 -0.87 0.30 0.00 0.00 0.00 0.00 54.91 54.34 1n7i h ALA 590 Cb 0.50 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1n7i h ALA 590 CO 0.00 0.61 0.75 0.00 0.00 0.00 0.00 179.25 180.61 1n7i n SER 592 N -4.26 0.78 0.00 0.00 3.41 -1.26 -3.43 113.62 108.86 1n7i n SER 592 Ca 0.22 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.93 1n7i n SER 592 Cb 1.09 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 1n7i n SER 592 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1n7i n HIS 593 N -0.07 0.00 -3.94 7.33 8.25 0.32 -5.05 115.22 122.06 1n7i n HIS 593 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 1n7i n HIS 593 Cb 0.19 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.14 1n7i n HIS 593 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1n7i s PHE 594 N -0.20 1.52 0.07 4.41 0.40 -1.22 -3.89 117.98 119.07 1n7i s PHE 594 Ca 0.00 -0.75 0.23 0.00 -0.60 0.00 0.00 56.93 55.80 1n7i s PHE 594 Cb 0.00 -1.24 0.77 0.00 0.51 0.00 0.00 43.02 43.06 1n7i s PHE 594 CO 0.00 -0.51 1.76 0.93 0.70 0.00 0.00 175.22 178.10 1n7i h GLU 595 N 8.11 0.00 -4.24 0.44 3.07 -1.69 -3.41 114.58 116.87 1n7i h GLU 595 Ca -0.30 0.00 -0.63 0.00 -0.50 0.00 0.00 59.36 57.93 1n7i h GLU 595 Cb 1.13 0.00 -0.40 0.00 -0.84 0.00 0.00 28.75 28.64 1n7i h GLU 595 CO 0.42 0.26 -0.74 0.34 -1.40 0.00 0.00 179.01 177.89 1n7i s ASP 596 N -6.24 4.45 -0.09 1.42 3.68 -0.04 -4.63 116.67 115.23 1n7i s ASP 596 Ca 0.01 -1.92 -0.04 0.00 2.13 0.00 0.00 52.55 52.74 1n7i s ASP 596 Cb 0.10 -1.32 -0.04 0.00 -1.45 0.00 0.00 42.92 40.21 1n7i s ASP 596 CO 0.65 -0.39 0.08 -0.63 0.13 0.00 0.00 175.17 175.02 1n7i s ILE 597 N 1.20 4.93 -0.21 4.11 1.01 -0.29 -1.81 121.20 130.14 1n7i s ILE 597 Ca 0.10 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.69 1n7i s ILE 597 Cb -0.18 -3.14 0.04 0.00 0.01 0.00 0.00 42.46 39.19 1n7i s ILE 597 CO -0.15 0.56 -0.12 -0.89 0.00 0.00 0.00 174.94 174.35 1n7i s THR 598 N -1.01 1.79 0.34 2.92 2.01 -0.48 -1.36 115.64 119.85 1n7i s THR 598 Ca 0.16 -1.12 -0.03 0.00 0.31 0.00 0.00 61.69 61.02 1n7i s THR 598 Cb -0.12 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 1n7i s THR 598 CO 0.05 0.18 0.59 -0.04 -0.69 0.00 0.00 174.62 174.70 1n7i s MET 599 N 1.33 3.56 0.24 4.92 -1.94 -0.72 -0.37 119.30 126.33 1n7i s MET 599 Ca -0.02 -0.11 -0.17 0.00 -1.71 0.00 0.00 55.69 53.69 1n7i s MET 599 Cb -0.17 -2.61 0.01 0.00 2.01 0.00 0.00 34.83 34.07 1n7i s MET 599 CO -0.08 0.13 0.56 0.95 -0.01 0.00 0.00 175.02 176.57 1n7i s THR 600 N -2.28 0.01 0.00 2.05 -4.23 -1.15 -0.33 115.64 109.71 1n7i s THR 600 Ca 0.43 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 1n7i s THR 600 Cb -0.10 -1.95 0.00 0.00 1.34 0.00 0.00 72.50 71.79 1n7i s THR 600 CO 0.35 -0.04 0.00 -0.67 -0.54 0.00 0.00 174.62 173.72 1n7i n ASP 601 N -0.39 0.00 0.22 3.99 2.03 -0.29 0.38 116.55 122.49 1n7i n ASP 601 Ca -0.05 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.14 1n7i n ASP 601 Cb 0.61 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.94 1n7i n ASP 601 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1n7i h PHE 602 N 0.00 -0.55 -3.64 -0.67 3.57 -1.87 -1.61 116.94 112.17 1n7i h PHE 602 Ca 0.00 -0.01 -0.51 0.00 3.53 0.00 0.00 57.97 60.98 1n7i h PHE 602 Cb 0.00 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1n7i h PHE 602 CO 0.00 -0.23 0.42 -0.51 -2.23 0.00 0.00 178.31 175.76 1n7i s LEU 603 N -9.40 4.54 0.20 0.59 1.43 -1.26 -4.69 118.68 110.10 1n7i s LEU 603 Ca -0.13 2.00 0.25 0.00 -1.03 0.00 0.00 54.13 55.23 1n7i s LEU 603 Cb 0.01 -3.60 0.57 0.00 0.03 0.00 0.00 46.19 43.20 1n7i s LEU 603 CO 0.44 -0.08 1.57 1.05 0.23 0.00 0.00 176.35 179.56 1n7i h GLU 604 N 4.84 0.00 0.00 1.70 4.11 -1.99 -2.60 114.58 120.65 1n7i h GLU 604 Ca -0.44 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 58.97 1n7i h GLU 604 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1n7i h GLU 604 CO 0.71 0.00 -0.09 -0.39 0.07 0.00 0.00 179.01 179.30 1n7i h VAL 605 N 0.00 0.28 0.03 -1.06 -1.51 -1.98 0.24 116.25 112.24 1n7i h VAL 605 Ca 0.00 -0.67 -0.17 0.00 -1.23 0.00 0.00 66.70 64.62 1n7i h VAL 605 Cb 0.78 1.53 -0.02 0.00 -2.13 0.00 0.00 31.29 31.45 1n7i h VAL 605 CO 0.00 0.09 -0.93 0.78 -1.23 0.00 0.00 177.57 176.29 1n7i h ASN 606 N 0.00 0.09 -0.96 4.19 2.35 -1.87 -2.84 115.58 116.54 1n7i h ASN 606 Ca -0.00 -0.74 0.17 0.00 -0.55 0.00 0.00 56.30 55.18 1n7i h ASN 606 Cb 0.52 -0.03 -0.10 0.00 0.05 0.00 0.00 38.32 38.76 1n7i h ASN 606 CO 0.01 1.38 0.57 0.03 -1.65 0.00 0.00 177.43 177.77 1n7i h ARG 607 N -0.83 0.73 -0.73 0.81 3.08 -1.16 0.17 114.38 116.45 1n7i h ARG 607 Ca -0.24 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.70 1n7i h ARG 607 Cb 1.32 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 1n7i h ARG 607 CO -0.08 0.48 0.19 1.96 -1.07 0.00 0.00 179.97 181.45 1n7i h GLN 608 N 0.75 1.16 -0.00 0.04 4.20 -0.62 0.95 115.11 121.58 1n7i h GLN 608 Ca 0.54 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.93 1n7i h GLN 608 Cb 0.79 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 1n7i h GLN 608 CO -0.37 1.00 -0.23 1.49 -0.67 0.00 0.00 178.83 180.05 1n7i h GLU 609 N 1.10 0.00 0.41 1.46 4.57 -0.46 0.65 114.58 122.31 1n7i h GLU 609 Ca 0.23 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.39 1n7i h GLU 609 Cb 0.35 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1n7i h GLU 609 CO -0.00 0.24 -0.20 -0.07 -1.18 0.00 0.00 179.01 177.80 1n7i h LEU 610 N 0.00 -0.47 -1.02 1.64 3.38 -0.57 -3.01 115.31 115.26 1n7i h LEU 610 Ca -0.00 -0.04 0.40 0.00 0.09 0.00 0.00 57.88 58.33 1n7i h LEU 610 Cb 0.42 0.12 -0.17 0.00 0.09 0.00 0.00 40.66 41.12 1n7i h LEU 610 CO 0.03 -0.04 0.56 1.23 0.09 0.00 0.00 178.44 180.32 1n7i h GLY 611 N -1.11 2.18 1.00 0.83 0.00 -0.33 1.02 103.07 106.65 1n7i h GLY 611 Ca -0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1n7i h GLY 611 CO 0.09 -0.71 0.34 3.21 0.00 0.00 0.00 176.54 179.48 1n7i h ARG 612 N 0.09 0.76 -0.14 4.80 3.08 -0.81 -0.93 114.38 121.23 1n7i h ARG 612 Ca 0.82 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 60.67 1n7i h ARG 612 Cb 2.11 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.99 1n7i h ARG 612 CO -0.71 0.55 -0.49 2.35 -1.07 0.00 0.00 179.97 180.59 1n7i h TRP 613 N 0.76 0.47 -0.59 3.04 7.01 0.11 -2.51 115.95 124.23 1n7i h TRP 613 Ca 0.20 -0.15 -0.06 0.00 2.11 0.00 0.00 58.89 60.99 1n7i h TRP 613 Cb -0.02 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 26.92 1n7i h TRP 613 CO -0.02 0.80 0.14 -0.07 -2.79 0.00 0.00 178.44 176.49 1n7i h LEU 614 N 0.30 0.91 0.00 0.65 4.07 -0.52 -1.55 115.31 119.17 1n7i h LEU 614 Ca 0.01 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.74 1n7i h LEU 614 Cb 0.98 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.48 1n7i h LEU 614 CO 0.08 0.91 0.00 0.00 -1.08 0.00 0.00 178.44 178.35 1n7i n GLN 615 N -4.35 0.81 -3.69 1.13 6.02 -0.40 -4.87 117.38 112.04 1n7i n GLN 615 Ca 0.03 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.75 1n7i n GLN 615 Cb 0.25 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.05 1n7i n GLN 615 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1n7i n GLU 616 N -1.00 -6.15 -2.56 -1.09 2.13 -0.58 -4.94 120.64 106.45 1n7i n GLU 616 Ca 0.19 0.70 -0.41 0.00 0.66 0.00 0.00 57.16 58.30 1n7i n GLU 616 Cb 0.09 -5.63 -0.04 0.00 0.27 0.00 0.00 31.44 26.13 1n7i n GLU 616 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1n7i s GLU 617 N -6.39 4.57 0.29 5.31 2.02 -0.96 -4.90 118.70 118.63 1n7i s GLU 617 Ca 0.59 1.64 0.16 0.00 0.02 0.00 0.00 54.97 57.38 1n7i s GLU 617 Cb -0.28 -3.34 0.85 0.00 0.10 0.00 0.00 34.13 31.47 1n7i s GLU 617 CO 0.73 0.01 1.42 -2.30 0.02 0.00 0.00 175.26 175.14 1n7i n PRO 618 N 3.00 0.10 0.10 0.39 -0.02 -1.26 -0.96 135.00 136.35 1n7i n PRO 618 Ca 0.04 0.58 -0.05 0.00 -2.02 0.00 0.00 63.50 62.06 1n7i n PRO 618 Cb 0.47 -1.98 0.10 0.00 -0.02 0.00 0.00 33.50 32.07 1n7i n PRO 618 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1n7i h GLY 619 N 0.00 0.19 -1.66 -1.23 0.00 -1.92 -3.47 103.07 94.98 1n7i h GLY 619 Ca 0.00 -0.26 -0.47 0.00 0.00 0.00 0.00 47.33 46.60 1n7i h GLY 619 CO 0.00 0.23 -1.28 0.00 0.00 0.00 0.00 176.54 175.49 1n7i n ALA 620 N -2.46 -4.25 -1.88 3.60 0.00 -0.13 -4.95 120.51 110.45 1n7i n ALA 620 Ca -0.02 -1.20 -0.40 0.00 0.00 0.00 0.00 53.44 51.81 1n7i n ALA 620 Cb 0.66 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.62 1n7i n ALA 620 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1n7i s PHE 621 N -2.21 3.79 -0.34 0.00 5.36 -1.26 -5.02 117.98 118.29 1n7i s PHE 621 Ca 0.53 1.79 -0.19 0.00 -0.96 0.00 0.00 56.93 58.09 1n7i s PHE 621 Cb -0.10 -3.12 -0.00 0.00 -0.34 0.00 0.00 43.02 39.45 1n7i s PHE 621 CO 0.67 -0.03 0.58 1.21 -1.46 0.00 0.00 175.22 176.19 1n7i s ASN 622 N -0.75 6.39 -0.11 6.13 2.47 -1.26 -4.91 114.94 122.90 1n7i s ASN 622 Ca 0.44 0.14 0.17 0.00 0.42 0.00 0.00 52.86 54.04 1n7i s ASN 622 Cb -0.28 -2.30 0.67 0.00 -1.45 0.00 0.00 41.25 37.89 1n7i s ASN 622 CO 0.35 -0.52 1.59 0.79 -3.72 0.00 0.00 177.10 175.58 1n7i n TRP 623 N 5.88 1.37 0.32 0.43 7.02 -1.26 -4.58 117.44 126.63 1n7i n TRP 623 Ca -0.03 -0.63 0.20 0.00 -1.02 0.00 0.00 57.50 56.03 1n7i n TRP 623 Cb 0.49 -0.24 1.11 0.00 -2.42 0.00 0.00 31.31 30.25 1n7i n TRP 623 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1n7i h SER 624 N 3.70 0.00 0.45 -0.99 4.64 -1.99 -0.38 113.55 118.98 1n7i h SER 624 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1n7i h SER 624 Cb 1.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1n7i h SER 624 CO 0.22 0.00 -0.99 -0.03 -0.87 0.00 0.00 176.83 175.16 1n7i h MET 625 N 0.00 0.34 -0.08 4.77 4.05 -1.97 -1.71 114.93 120.33 1n7i h MET 625 Ca 0.00 -0.40 -0.08 0.00 -0.28 0.00 0.00 59.70 58.95 1n7i h MET 625 Cb 0.08 0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.01 1n7i h MET 625 CO -0.00 1.10 -0.25 1.88 0.23 0.00 0.00 176.91 179.87 1n7i h TYR 626 N 0.17 0.40 0.50 1.39 -1.99 -1.55 -2.86 116.97 113.03 1n7i h TYR 626 Ca -0.08 -0.16 -0.01 0.00 2.00 0.00 0.00 58.73 60.47 1n7i h TYR 626 Cb 1.65 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 40.29 1n7i h TYR 626 CO 0.05 0.87 -0.42 0.77 -0.00 0.00 0.00 178.16 179.43 1n7i h SER 627 N -0.17 -1.12 -0.87 3.88 0.02 -1.16 0.23 113.55 114.36 1n7i h SER 627 Ca -0.01 0.09 0.21 0.00 -0.84 0.00 0.00 61.79 61.23 1n7i h SER 627 Cb 0.87 0.36 -0.12 0.00 0.14 0.00 0.00 62.40 63.65 1n7i h SER 627 CO 0.05 -0.60 0.36 -0.61 -1.14 0.00 0.00 176.83 174.90 1n7i h GLN 628 N -0.91 0.38 -0.20 3.45 -0.00 -1.41 -0.77 115.11 115.65 1n7i h GLN 628 Ca -0.05 -0.02 -0.04 0.00 -0.00 0.00 0.00 58.65 58.54 1n7i h GLN 628 Cb 0.78 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 28.17 1n7i h GLN 628 CO -0.02 0.25 -0.03 1.25 0.00 0.00 0.00 178.83 180.28 1n7i h HIS 629 N 0.39 0.41 -0.41 3.99 2.76 -1.14 0.65 115.15 121.80 1n7i h HIS 629 Ca 0.53 -0.08 0.07 0.00 -2.20 0.00 0.00 60.37 58.69 1n7i h HIS 629 Cb 0.99 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.82 1n7i h HIS 629 CO -0.16 0.60 0.28 0.00 -1.30 0.00 0.00 177.93 177.35 1n7i h ALA 630 N 0.76 2.03 -0.04 5.26 0.00 0.29 0.34 119.26 127.90 1n7i h ALA 630 Ca 0.05 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 1n7i h ALA 630 Cb 0.45 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1n7i h ALA 630 CO 0.02 -0.11 -0.89 0.00 0.00 0.00 0.00 179.25 178.26 1n7i h LEU 632 N 0.34 0.32 -0.22 0.00 6.46 0.13 -2.94 115.31 119.38 1n7i h LEU 632 Ca -0.08 -0.22 -0.14 0.00 -0.12 0.00 0.00 57.88 57.32 1n7i h LEU 632 Cb 1.52 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 41.34 1n7i h LEU 632 CO 0.16 0.46 -0.68 0.40 -0.62 0.00 0.00 178.44 178.16 1n7i h ILE 633 N 0.16 1.24 0.00 4.05 1.08 -0.43 -3.00 117.51 120.61 1n7i h ILE 633 Ca 0.07 -2.55 0.00 0.00 -0.39 0.00 0.00 64.86 61.99 1n7i h ILE 633 Cb 0.26 2.48 0.00 0.00 -3.07 0.00 0.00 36.82 36.49 1n7i h ILE 633 CO -0.00 0.66 0.00 -0.62 -0.69 0.00 0.00 178.15 177.50 1n7i n GLU 634 N -3.38 0.07 -3.34 2.37 1.02 0.13 -4.91 120.64 112.60 1n7i n GLU 634 Ca 0.01 0.24 -0.21 0.00 -0.02 0.00 0.00 57.16 57.18 1n7i n GLU 634 Cb 0.76 -1.62 -0.02 0.00 -0.02 0.00 0.00 31.44 30.54 1n7i n GLU 634 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n7i n GLY 635 N 0.44 -0.47 0.87 0.62 0.00 -1.12 -4.82 105.19 100.71 1n7i n GLY 635 Ca 0.04 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.20 1n7i n GLY 635 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n7i n LYS 636 N -3.40 2.87 -3.86 1.61 5.02 -1.26 -4.97 118.16 114.17 1n7i n LYS 636 Ca 0.01 -2.83 -0.25 0.00 -2.02 0.00 0.00 58.31 53.22 1n7i n LYS 636 Cb 0.51 -1.83 0.01 0.00 -0.02 0.00 0.00 35.03 33.70 1n7i n LYS 636 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n7i n GLY 637 N -0.53 -0.32 3.92 0.72 0.00 -1.26 -4.98 105.19 102.74 1n7i n GLY 637 Ca 0.21 0.15 -0.28 0.00 0.00 0.00 0.00 46.02 46.10 1n7i n GLY 637 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n7i s GLU 638 N -6.36 3.53 -0.04 1.61 2.12 -1.26 -5.08 118.70 113.22 1n7i s GLU 638 Ca 0.18 -0.31 -0.11 0.00 0.36 0.00 0.00 54.97 55.10 1n7i s GLU 638 Cb -0.09 -2.84 -0.05 0.00 0.26 0.00 0.00 34.13 31.41 1n7i s GLU 638 CO 0.85 0.41 0.29 0.00 -0.54 0.00 0.00 175.26 176.27 1n7i h TRP 640 N 4.64 0.85 0.00 0.00 5.08 -1.91 -0.69 115.95 123.92 1n7i h TRP 640 Ca -0.52 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.47 1n7i h TRP 640 Cb 1.22 -0.27 0.00 0.00 -3.00 0.00 0.00 29.16 27.10 1n7i h TRP 640 CO 0.72 0.40 0.00 -0.56 -1.28 0.00 0.00 178.44 177.73 1n7i h GLN 641 N 0.80 0.00 0.15 0.12 -0.00 -1.97 0.84 115.11 115.05 1n7i h GLN 641 Ca 0.37 0.00 -0.31 0.00 -0.00 0.00 0.00 58.65 58.71 1n7i h GLN 641 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.88 1n7i h GLN 641 CO -0.15 0.00 -1.54 -0.44 -0.00 0.00 0.00 178.83 176.70 1n7i h ASP 642 N 0.00 0.48 -0.22 0.06 5.19 -1.54 -2.55 116.42 117.84 1n7i h ASP 642 Ca 0.00 -0.64 -0.06 0.00 -0.62 0.00 0.00 57.03 55.71 1n7i h ASP 642 Cb 0.37 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 1n7i h ASP 642 CO 0.00 1.53 -0.09 0.50 -3.12 0.00 0.00 179.24 178.06 1n7i h LYS 643 N 0.08 0.46 -0.06 3.56 3.64 -0.84 -2.44 116.57 120.97 1n7i h LYS 643 Ca -0.25 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 58.86 1n7i h LYS 643 Cb 2.04 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.84 1n7i h LYS 643 CO 0.18 0.72 -0.33 0.93 -2.27 0.00 0.00 179.45 178.68 1n7i h GLU 644 N 0.17 0.11 -0.52 1.90 5.08 -0.99 -1.79 114.58 118.55 1n7i h GLU 644 Ca 0.05 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1n7i h GLU 644 Cb 0.57 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1n7i h GLU 644 CO 0.03 0.43 -0.10 -0.09 -1.00 0.00 0.00 179.01 178.28 1n7i h ARG 645 N 0.10 0.96 -0.26 2.33 2.43 -1.34 -0.80 114.38 117.79 1n7i h ARG 645 Ca 0.01 -0.34 -0.12 0.00 -0.81 0.00 0.00 59.98 58.72 1n7i h ARG 645 Cb 0.64 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1n7i h ARG 645 CO 0.05 1.00 -0.36 0.37 -1.51 0.00 0.00 179.97 179.52 1n7i h GLN 646 N 0.86 0.58 -0.19 0.20 4.15 -1.04 -1.38 115.11 118.28 1n7i h GLN 646 Ca 0.14 -0.27 -0.06 0.00 0.77 0.00 0.00 58.65 59.22 1n7i h GLN 646 Cb 0.64 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.32 1n7i h GLN 646 CO 0.04 0.85 -0.13 1.25 -1.93 0.00 0.00 178.83 178.91 1n7i h LEU 647 N 0.48 0.44 -0.97 -2.39 5.85 -1.09 -0.47 115.31 117.16 1n7i h LEU 647 Ca 0.05 -0.44 0.01 0.00 0.84 0.00 0.00 57.88 58.34 1n7i h LEU 647 Cb 0.85 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 1n7i h LEU 647 CO 0.07 0.79 0.65 0.03 -0.34 0.00 0.00 178.44 179.63 1n7i h ARG 648 N 0.09 1.28 0.31 1.25 3.08 -1.04 -1.65 114.38 117.71 1n7i h ARG 648 Ca 0.04 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1n7i h ARG 648 Cb 0.64 -0.29 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1n7i h ARG 648 CO 0.04 0.85 -0.15 0.00 -1.07 0.00 0.00 179.97 179.63 1n7i h ALA 649 N 1.36 -0.42 0.00 0.04 0.00 -1.06 -3.20 119.26 115.98 1n7i h ALA 649 Ca 0.36 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1n7i h ALA 649 Cb -0.15 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1n7i h ALA 649 CO -0.08 -0.66 0.00 0.00 0.00 0.00 0.00 179.25 178.52 1n7i h ARG 650 N -0.58 0.00 -6.42 0.00 3.08 -1.00 -3.41 114.38 106.06 1n7i h ARG 650 Ca -0.04 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.46 1n7i h ARG 650 Cb 0.42 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.41 1n7i h ARG 650 CO 0.07 0.00 1.09 0.08 -1.07 0.00 0.00 179.97 180.14 1n7i s VAL 651 N -3.46 3.81 -0.37 2.04 1.01 -0.63 -1.14 120.40 121.66 1n7i s VAL 651 Ca 0.04 0.70 0.23 0.00 0.00 0.00 0.00 61.98 62.95 1n7i s VAL 651 Cb 0.09 -4.44 0.08 0.00 0.00 0.00 0.00 36.38 32.12 1n7i s VAL 651 CO 0.53 -1.15 1.23 0.11 0.00 0.00 0.00 175.10 175.83 1n7i h LYS 652 N 10.97 0.00 -1.23 2.72 1.79 -1.45 -3.48 116.57 125.89 1n7i h LYS 652 Ca -0.27 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 58.37 1n7i h LYS 652 Cb 1.09 0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 31.45 1n7i h LYS 652 CO 1.17 0.00 0.78 -0.98 -1.08 0.00 0.00 179.45 179.34 1n7i s ARG 653 N -3.29 0.21 -0.36 3.15 1.70 -1.24 -5.08 118.95 114.04 1n7i s ARG 653 Ca 0.03 0.16 -0.09 0.00 -0.47 0.00 0.00 55.73 55.36 1n7i s ARG 653 Cb 0.09 0.10 0.04 0.00 -0.57 0.00 0.00 34.95 34.61 1n7i s ARG 653 CO 0.75 -0.04 0.16 0.08 -1.08 0.00 0.00 175.30 175.17 1n7i s VAL 654 N -0.37 4.19 -0.02 4.99 1.01 -1.26 -1.75 120.40 127.18 1n7i s VAL 654 Ca 0.06 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1n7i s VAL 654 Cb -0.03 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1n7i s VAL 654 CO -0.10 -0.23 0.03 -0.76 0.00 0.00 0.00 175.10 174.04 1n7i s LEU 655 N 1.48 3.65 0.46 3.92 1.43 0.55 -4.93 118.68 125.23 1n7i s LEU 655 Ca 0.00 0.08 -0.22 0.00 -1.03 0.00 0.00 54.13 52.97 1n7i s LEU 655 Cb -0.20 -2.05 -0.08 0.00 0.03 0.00 0.00 46.19 43.89 1n7i s LEU 655 CO 0.05 0.30 1.05 -2.16 0.23 0.00 0.00 176.35 175.82 1n7i s PRO 656 N -1.45 3.91 0.01 1.29 0.04 -1.26 -1.14 135.00 136.40 1n7i s PRO 656 Ca 0.19 1.44 -0.14 0.00 0.04 0.00 0.00 61.00 62.53 1n7i s PRO 656 Cb -0.12 -2.26 0.02 0.00 0.04 0.00 0.00 34.50 32.19 1n7i s PRO 656 CO 0.09 -0.35 0.29 -1.50 0.04 0.00 0.00 177.00 175.57 1n7i s ILE 657 N -1.84 0.07 -0.33 0.56 2.07 -0.61 -4.73 121.20 116.40 1n7i s ILE 657 Ca 0.64 -0.58 -0.01 0.00 -1.41 0.00 0.00 60.65 59.29 1n7i s ILE 657 Cb -0.19 -0.74 0.11 0.00 0.13 0.00 0.00 42.46 41.77 1n7i s ILE 657 CO 0.23 -0.32 0.13 -0.62 -1.91 0.00 0.00 174.94 172.45 1n7i s ASP 658 N -1.64 3.84 0.50 4.50 -1.08 -0.69 -3.32 116.67 118.77 1n7i s ASP 658 Ca -0.10 -1.76 0.18 0.00 -0.52 0.00 0.00 52.55 50.34 1n7i s ASP 658 Cb -0.04 -0.78 0.96 0.00 -1.46 0.00 0.00 42.92 41.61 1n7i s ASP 658 CO 0.01 -0.39 1.48 0.58 0.52 0.00 0.00 175.17 177.37 1n7i h VAL 659 N 6.21 0.00 -0.01 1.11 2.07 -1.96 -1.63 116.25 122.04 1n7i h VAL 659 Ca -0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1n7i h VAL 659 Cb 1.00 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1n7i h VAL 659 CO 0.45 0.00 -0.11 1.41 0.02 0.00 0.00 177.57 179.34 1n7i n HIS 660 N -2.41 0.00 -3.34 1.57 8.25 -1.26 -4.51 115.22 113.51 1n7i n HIS 660 Ca -0.01 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.16 1n7i n HIS 660 Cb 0.44 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.48 1n7i n HIS 660 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1n7i s GLN 661 N -2.20 3.64 0.56 -0.41 -1.52 -0.61 -4.97 119.66 114.15 1n7i s GLN 661 Ca 0.31 0.01 0.24 0.00 -1.95 0.00 0.00 55.36 53.97 1n7i s GLN 661 Cb 0.20 -2.65 1.57 0.00 -0.22 0.00 0.00 33.01 31.92 1n7i s GLN 661 CO 0.41 0.22 2.21 -1.35 -0.25 0.00 0.00 175.29 176.52 1n7i h PRO 662 N 1.72 0.00 -2.82 2.91 0.11 -1.91 -3.07 132.00 128.93 1n7i h PRO 662 Ca -0.48 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.03 1n7i h PRO 662 Cb 1.19 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.89 1n7i h PRO 662 CO 0.66 0.00 -0.73 -0.65 -0.21 0.00 0.00 178.00 177.08 1n7i s GLN 663 N -4.83 1.86 0.32 1.05 -0.21 -1.26 -4.91 119.66 111.68 1n7i s GLN 663 Ca -0.05 -2.86 0.20 0.00 0.02 0.00 0.00 55.36 52.67 1n7i s GLN 663 Cb 0.16 -2.66 1.16 0.00 1.00 0.00 0.00 33.01 32.67 1n7i s GLN 663 CO 0.60 -1.32 1.32 -2.30 -2.12 0.00 0.00 175.29 171.47 1n7i n PRO 664 N 2.33 -0.05 0.01 2.91 -0.02 -1.16 -1.46 135.00 137.55 1n7i n PRO 664 Ca 0.23 1.13 -0.07 0.00 -2.02 0.00 0.00 63.50 62.77 1n7i n PRO 664 Cb 0.40 -2.07 -0.12 0.00 -0.02 0.00 0.00 33.50 31.68 1n7i n PRO 664 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1n7i h LEU 665 N 0.00 0.00 0.00 2.45 4.07 -1.87 -1.84 115.31 118.12 1n7i h LEU 665 Ca 0.72 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.68 1n7i h LEU 665 Cb 2.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.75 1n7i h LEU 665 CO -0.58 0.94 0.00 0.61 -1.08 0.00 0.00 178.44 178.34 1n7i n GLY 666 N 1.48 3.59 0.00 0.83 0.00 -0.54 -4.84 105.19 105.71 1n7i n GLY 666 Ca -0.11 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1n7i n GLY 666 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n7i n ALA 667 N -1.83 0.00 -2.28 4.61 0.00 -1.26 -3.21 120.51 116.54 1n7i n ALA 667 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1n7i n ALA 667 Cb 0.00 0.12 0.02 0.00 0.00 0.00 0.00 19.45 19.59 1n7i n ALA 667 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n7i n GLY 668 N -0.61 5.73 0.71 0.00 0.00 -1.26 -5.02 105.19 104.74 1n7i n GLY 668 Ca 0.00 -2.44 -0.12 0.00 0.00 0.00 0.00 46.02 43.46 1n7i n GLY 668 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1n7i n SER 669 N 0.08 -0.06 0.12 1.61 2.88 -1.20 -4.86 113.62 112.19 1n7i n SER 669 Ca 0.51 0.24 -0.01 0.00 -1.33 0.00 0.00 58.87 58.28 1n7i n SER 669 Cb 0.27 -0.19 0.06 0.00 -0.75 0.00 0.00 64.21 63.60 1n7i n SER 669 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1n7i h PRO 670 N 0.52 0.00 -7.13 -1.46 0.13 -1.92 -3.46 132.00 118.69 1n7i h PRO 670 Ca -0.09 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.52 1n7i h PRO 670 Cb 0.29 0.00 0.10 0.00 0.13 0.00 0.00 31.00 31.53 1n7i h PRO 670 CO 0.13 0.67 0.43 0.00 -0.23 0.00 0.00 178.00 178.99 1n7i s ALA 671 N -3.10 2.52 -0.40 -0.56 0.00 -1.26 -4.95 121.76 114.01 1n7i s ALA 671 Ca 0.01 0.83 -0.29 0.00 0.00 0.00 0.00 51.96 52.51 1n7i s ALA 671 Cb 0.10 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.84 1n7i s ALA 671 CO 0.76 -1.16 1.32 -2.14 0.00 0.00 0.00 175.76 174.53 1n7i s PRO 672 N -3.57 3.71 0.15 0.00 0.02 -1.26 -5.00 135.00 129.03 1n7i s PRO 672 Ca 0.73 0.94 0.09 0.00 0.02 0.00 0.00 61.00 62.78 1n7i s PRO 672 Cb -0.26 -3.95 -0.04 0.00 0.02 0.00 0.00 34.50 30.27 1n7i s PRO 672 CO 0.35 -1.40 -0.16 -0.51 -0.33 0.00 0.00 177.00 174.95 1n7i s LEU 673 N 4.91 2.74 0.57 -5.54 2.01 -1.26 -3.88 118.68 118.22 1n7i s LEU 673 Ca 0.57 -0.61 -0.08 0.00 0.01 0.00 0.00 54.13 54.01 1n7i s LEU 673 Cb -0.13 -1.52 -0.03 0.00 0.01 0.00 0.00 46.19 44.51 1n7i s LEU 673 CO 0.30 0.15 0.92 -2.16 1.01 0.00 0.00 176.35 176.57 1n7i s PRO 674 N -2.41 3.50 0.51 1.29 0.04 -1.26 -5.13 135.00 131.53 1n7i s PRO 674 Ca 0.20 0.46 -0.14 0.00 0.04 0.00 0.00 61.00 61.56 1n7i s PRO 674 Cb -0.10 -2.21 -0.07 0.00 0.04 0.00 0.00 34.50 32.16 1n7i s PRO 674 CO 0.12 -0.45 0.94 0.00 0.04 0.00 0.00 177.00 177.65 1n7i s ALA 675 N -3.00 3.14 0.16 8.56 0.00 0.14 -4.76 121.76 126.00 1n7i s ALA 675 Ca 0.52 0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.53 1n7i s ALA 675 Cb -0.11 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 1n7i s ALA 675 CO 0.50 -0.26 1.36 -0.44 0.00 0.00 0.00 175.76 176.92 1n7i h ASP 676 N 0.79 0.34 -5.61 0.00 3.45 -0.72 -2.46 116.42 112.20 1n7i h ASP 676 Ca -0.46 -0.27 -0.26 0.00 0.43 0.00 0.00 57.03 56.46 1n7i h ASP 676 Cb 1.19 -0.10 -0.14 0.00 -0.56 0.00 0.00 39.33 39.71 1n7i h ASP 676 CO 0.62 1.07 -0.56 0.00 -1.57 0.00 0.00 179.24 178.80 1n7i s ALA 677 N -3.24 1.18 -0.02 3.45 0.00 -0.95 -3.14 121.76 119.04 1n7i s ALA 677 Ca -0.04 -1.70 -0.07 0.00 0.00 0.00 0.00 51.96 50.15 1n7i s ALA 677 Cb 0.10 1.38 0.01 0.00 0.00 0.00 0.00 23.12 24.60 1n7i s ALA 677 CO 0.84 -0.62 0.14 -0.51 0.00 0.00 0.00 175.76 175.61 1n7i s LEU 678 N -3.18 1.51 -0.01 0.00 1.43 -0.42 -2.15 118.68 115.85 1n7i s LEU 678 Ca 0.38 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1n7i s LEU 678 Cb 0.06 0.63 0.01 0.00 0.03 0.00 0.00 46.19 46.91 1n7i s LEU 678 CO 0.14 -0.27 -0.03 -0.69 0.23 0.00 0.00 176.35 175.73 1n7i s VAL 679 N -0.93 0.27 -0.20 -1.59 1.01 0.15 -1.62 120.40 117.49 1n7i s VAL 679 Ca -0.10 -0.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.67 1n7i s VAL 679 Cb -0.06 -0.27 0.07 0.00 0.00 0.00 0.00 36.38 36.12 1n7i s VAL 679 CO 0.01 0.10 0.49 -0.55 0.00 0.00 0.00 175.10 175.15 1n7i s SER 680 N 0.23 -0.64 -0.08 3.32 0.15 -0.89 0.09 113.70 115.88 1n7i s SER 680 Ca -0.02 1.07 -0.01 0.00 0.70 0.00 0.00 55.95 57.69 1n7i s SER 680 Cb -0.05 0.96 0.03 0.00 -1.71 0.00 0.00 66.02 65.25 1n7i s SER 680 CO -0.00 -0.21 -0.03 0.00 1.20 0.00 0.00 173.24 174.20 1n7i s ALA 681 N 1.50 0.88 -1.20 5.45 0.00 -1.26 -0.94 121.76 126.19 1n7i s ALA 681 Ca -0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 51.96 51.58 1n7i s ALA 681 Cb -0.08 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.29 1n7i s ALA 681 CO -0.15 -0.40 0.53 1.19 0.00 0.00 0.00 175.76 176.93 1n7i n PHE 682 N 4.97 -1.61 0.00 0.00 0.99 0.13 -4.95 117.46 116.99 1n7i n PHE 682 Ca -0.10 0.45 0.00 0.00 -0.00 0.00 0.00 57.45 57.80 1n7i n PHE 682 Cb 0.50 -3.78 0.00 0.00 -1.00 0.00 0.00 39.48 35.20 1n7i n PHE 682 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1n7i n LEU 684 N -0.90 -0.20 -0.25 0.00 4.77 -1.26 0.43 117.00 119.59 1n7i n LEU 684 Ca 0.00 1.02 -0.07 0.00 -0.03 0.00 0.00 56.01 56.94 1n7i n LEU 684 Cb 0.00 -0.31 0.06 0.00 -2.33 0.00 0.00 43.42 40.84 1n7i n LEU 684 CO 0.00 -0.99 0.95 -0.33 -1.33 0.00 0.00 177.39 175.69 1n7i h GLU 685 N 0.00 1.12 -0.04 3.23 3.07 -1.90 -1.82 114.58 118.24 1n7i h GLU 685 Ca 0.29 -0.27 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1n7i h GLU 685 Cb 0.46 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1n7i h GLU 685 CO -0.61 0.99 0.00 0.00 -1.40 0.00 0.00 179.01 177.98 1n7i n ALA 686 N -2.46 2.50 0.00 3.43 0.00 0.17 -2.19 120.51 121.96 1n7i n ALA 686 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1n7i n ALA 686 Cb 0.26 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1n7i n ALA 686 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1n7i n VAL 687 N -0.41 0.00 -3.77 0.00 0.31 -1.04 -4.82 118.33 108.60 1n7i n VAL 687 Ca 0.02 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.98 1n7i n VAL 687 Cb 0.04 0.10 -0.06 0.00 -0.91 0.00 0.00 33.84 33.00 1n7i n VAL 687 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1n7i s SER 688 N -0.74 6.43 0.06 4.52 1.04 -0.71 -4.88 113.70 119.42 1n7i s SER 688 Ca 0.00 0.51 -0.28 0.00 0.48 0.00 0.00 55.95 56.66 1n7i s SER 688 Cb 0.00 -2.11 -0.17 0.00 0.10 0.00 0.00 66.02 63.84 1n7i s SER 688 CO 0.00 0.34 1.57 -0.65 0.98 0.00 0.00 173.24 175.48 1n7i h PRO 689 N 5.32 -0.45 -5.10 4.02 0.11 -1.90 -3.29 132.00 130.72 1n7i h PRO 689 Ca -0.51 0.03 -0.63 0.00 0.11 0.00 0.00 66.00 65.00 1n7i h PRO 689 Cb 1.21 0.10 -0.13 0.00 0.11 0.00 0.00 31.00 32.29 1n7i h PRO 689 CO 0.63 -0.24 -0.51 0.16 -0.21 0.00 0.00 178.00 177.83 1n7i s ASP 690 N -4.85 3.50 0.53 -2.05 3.84 -1.26 -4.34 116.67 112.03 1n7i s ASP 690 Ca -0.15 -1.69 0.29 0.00 -0.00 0.00 0.00 52.55 51.00 1n7i s ASP 690 Cb 0.04 0.57 1.44 0.00 -1.38 0.00 0.00 42.92 43.59 1n7i s ASP 690 CO 0.62 -0.92 2.04 0.25 -0.00 0.00 0.00 175.17 177.16 1n7i h LEU 691 N 1.54 0.00 -0.29 2.11 5.85 -1.95 -2.12 115.31 120.45 1n7i h LEU 691 Ca -0.39 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.13 1n7i h LEU 691 Cb 1.30 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1n7i h LEU 691 CO 0.64 0.11 -0.87 0.00 -0.34 0.00 0.00 178.44 177.99 1n7i h ALA 692 N 1.89 0.51 -0.09 1.25 0.00 -1.99 -0.93 119.26 119.91 1n7i h ALA 692 Ca -0.00 -0.71 -0.18 0.00 0.00 0.00 0.00 54.91 54.02 1n7i h ALA 692 Cb 0.40 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1n7i h ALA 692 CO 0.01 0.89 -0.69 1.03 0.00 0.00 0.00 179.25 180.49 1n7i h SER 693 N 0.13 0.47 0.26 0.00 0.87 -1.85 -1.20 113.55 112.24 1n7i h SER 693 Ca -0.05 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.21 1n7i h SER 693 Cb 1.49 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 1n7i h SER 693 CO 0.14 1.02 -0.12 0.15 -0.53 0.00 0.00 176.83 177.48 1n7i h PHE 694 N 0.28 -0.32 -0.19 2.24 3.57 -1.30 -0.00 116.94 121.21 1n7i h PHE 694 Ca -0.02 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.51 1n7i h PHE 694 Cb 1.25 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 40.05 1n7i h PHE 694 CO 0.04 -0.05 -0.09 1.96 -2.23 0.00 0.00 178.31 177.94 1n7i h GLN 695 N -0.58 -0.06 -0.17 1.11 1.08 -1.11 0.91 115.11 116.29 1n7i h GLN 695 Ca -0.04 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.22 1n7i h GLN 695 Cb 0.42 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.80 1n7i h GLN 695 CO 0.06 -0.04 -0.25 0.00 -0.95 0.00 0.00 178.83 177.65 1n7i h ARG 696 N -0.07 -0.28 -0.82 1.46 3.08 -1.11 -1.10 114.38 115.55 1n7i h ARG 696 Ca 0.10 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.25 1n7i h ARG 696 Cb 0.22 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.27 1n7i h ARG 696 CO -0.24 -0.19 0.48 0.00 -1.07 0.00 0.00 179.97 178.96 1n7i h ALA 697 N 0.68 1.15 -0.20 0.04 0.00 -0.43 -0.12 119.26 120.38 1n7i h ALA 697 Ca 0.11 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1n7i h ALA 697 Cb 0.46 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1n7i h ALA 697 CO -0.34 0.15 0.12 1.25 0.00 0.00 0.00 179.25 180.44 1n7i h LEU 698 N 0.84 0.25 -0.67 0.00 5.85 0.08 -2.01 115.31 119.63 1n7i h LEU 698 Ca 0.38 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 59.08 1n7i h LEU 698 Cb 0.28 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1n7i h LEU 698 CO -0.21 0.23 0.41 0.44 -0.34 0.00 0.00 178.44 178.97 1n7i h ASP 699 N 0.24 0.65 -0.48 1.25 3.32 -0.51 -1.37 116.42 119.52 1n7i h ASP 699 Ca 0.07 0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.22 1n7i h ASP 699 Cb 0.04 -0.13 -0.10 0.00 0.22 0.00 0.00 39.33 39.36 1n7i h ASP 699 CO -0.01 0.44 -0.30 0.45 -1.72 0.00 0.00 179.24 178.11 1n7i h HIS 700 N 0.79 -0.80 0.00 4.55 3.86 -0.36 -1.46 115.15 121.73 1n7i h HIS 700 Ca 0.28 0.06 -0.14 0.00 -1.16 0.00 0.00 60.37 59.42 1n7i h HIS 700 Cb 0.07 0.42 -0.02 0.00 1.06 0.00 0.00 27.41 28.94 1n7i h HIS 700 CO -0.05 -0.36 -0.64 -0.84 0.86 0.00 0.00 177.93 176.89 1n7i h ILE 701 N -0.19 1.35 0.00 2.45 3.07 -1.20 -2.84 117.51 120.15 1n7i h ILE 701 Ca 0.21 -2.29 0.00 0.00 1.55 0.00 0.00 64.86 64.33 1n7i h ILE 701 Cb 0.52 2.27 0.00 0.00 -0.27 0.00 0.00 36.82 39.34 1n7i h ILE 701 CO -0.59 0.63 0.00 0.41 -1.05 0.00 0.00 178.15 177.55 1n7i n THR 702 N -3.62 1.31 0.17 0.16 -1.04 -0.53 -0.16 114.28 110.56 1n7i n THR 702 Ca -0.01 0.57 0.03 0.00 -2.04 0.00 0.00 64.05 62.61 1n7i n THR 702 Cb 0.67 -1.55 0.26 0.00 -1.82 0.00 0.00 70.33 67.89 1n7i n THR 702 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1n7i h THR 703 N 0.00 1.09 0.00 12.58 2.02 -1.21 -3.01 112.91 124.37 1n7i h THR 703 Ca 0.00 -1.79 0.00 0.00 0.77 0.00 0.00 66.41 65.39 1n7i h THR 703 Cb 0.06 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 1n7i h THR 703 CO 0.00 0.46 -0.19 -0.07 0.37 0.00 0.00 175.52 176.09 1n7i h LEU 704 N 0.00 0.00 -9.44 2.58 3.38 -0.74 -3.46 115.31 107.64 1n7i h LEU 704 Ca -0.00 -0.05 -0.60 0.00 0.09 0.00 0.00 57.88 57.32 1n7i h LEU 704 Cb 1.00 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.67 1n7i h LEU 704 CO 0.06 0.03 -0.24 -0.22 0.09 0.00 0.00 178.44 178.15 1n7i s LEU 705 N -4.71 4.33 0.41 1.67 2.96 -1.14 0.25 118.68 122.45 1n7i s LEU 705 Ca 0.09 0.73 -0.23 0.00 -0.22 0.00 0.00 54.13 54.50 1n7i s LEU 705 Cb 0.11 -2.51 -0.09 0.00 0.50 0.00 0.00 46.19 44.20 1n7i s LEU 705 CO 0.64 0.16 1.02 0.00 -1.32 0.00 0.00 176.35 176.85 1n7i s ARG 706 N -0.04 4.15 0.90 1.98 1.70 -0.93 -4.89 118.95 121.83 1n7i s ARG 706 Ca 0.21 1.41 -0.12 0.00 -0.47 0.00 0.00 55.73 56.75 1n7i s ARG 706 Cb -0.15 -2.43 0.06 0.00 -0.57 0.00 0.00 34.95 31.87 1n7i s ARG 706 CO 0.09 -0.13 0.71 -0.35 -1.08 0.00 0.00 175.30 174.53 1n7i n PRO 707 N -0.25 -0.22 -0.60 3.89 -0.04 -1.26 -0.43 135.00 136.08 1n7i n PRO 707 Ca 0.06 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1n7i n PRO 707 Cb 0.51 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 1n7i n PRO 707 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n7i n GLY 708 N 1.07 0.91 3.92 0.55 0.00 -0.83 -4.94 105.19 105.88 1n7i n GLY 708 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 1n7i n GLY 708 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n7i s GLY 709 N -2.00 1.65 -0.04 -0.02 0.00 0.43 -4.76 107.32 102.57 1n7i s GLY 709 Ca 0.00 -0.78 0.06 0.00 0.00 0.00 0.00 44.72 43.99 1n7i s GLY 709 CO 0.00 -0.44 -0.21 0.30 0.00 0.00 0.00 173.10 172.75 1n7i s HIS 710 N -3.13 2.50 -0.10 1.90 3.76 -1.19 0.48 115.29 119.52 1n7i s HIS 710 Ca 0.57 -0.35 0.03 0.00 -0.15 0.00 0.00 55.06 55.16 1n7i s HIS 710 Cb -0.11 -1.57 -0.01 0.00 1.11 0.00 0.00 32.58 32.01 1n7i s HIS 710 CO 0.45 0.03 -0.20 -1.17 -0.85 0.00 0.00 174.74 173.00 1n7i s LEU 711 N -0.60 2.31 -0.31 0.89 2.96 0.18 -1.30 118.68 122.82 1n7i s LEU 711 Ca 0.09 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 1n7i s LEU 711 Cb -0.11 -1.47 0.07 0.00 0.50 0.00 0.00 46.19 45.18 1n7i s LEU 711 CO 0.00 0.19 0.00 -0.76 -1.32 0.00 0.00 176.35 174.46 1n7i s LEU 712 N 0.20 4.12 -0.14 -0.68 1.43 -0.64 -1.20 118.68 121.78 1n7i s LEU 712 Ca -0.12 -1.59 -0.03 0.00 -1.03 0.00 0.00 54.13 51.36 1n7i s LEU 712 Cb -0.16 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 1n7i s LEU 712 CO 0.07 -0.30 -0.02 -0.76 0.23 0.00 0.00 176.35 175.57 1n7i s LEU 713 N 1.12 3.41 -0.02 1.79 1.43 0.16 -2.10 118.68 124.47 1n7i s LEU 713 Ca -0.01 -0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.12 1n7i s LEU 713 Cb -0.20 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1n7i s LEU 713 CO -0.04 0.24 -0.19 -0.63 0.23 0.00 0.00 176.35 175.96 1n7i s ILE 714 N -0.03 1.49 0.30 -0.59 1.01 -0.12 0.65 121.20 123.90 1n7i s ILE 714 Ca 0.02 -0.80 -0.19 0.00 0.00 0.00 0.00 60.65 59.68 1n7i s ILE 714 Cb -0.13 -1.24 0.05 0.00 0.01 0.00 0.00 42.46 41.15 1n7i s ILE 714 CO 0.02 0.42 0.81 -0.83 0.00 0.00 0.00 174.94 175.37 1n7i s GLY 715 N -0.39 0.12 0.07 6.18 0.00 -0.75 0.20 107.32 112.76 1n7i s GLY 715 Ca 0.06 -0.46 -0.24 0.00 0.00 0.00 0.00 44.72 44.07 1n7i s GLY 715 CO -0.00 0.10 0.74 0.00 0.00 0.00 0.00 173.10 173.94 1n7i s ALA 716 N -2.93 3.41 -0.24 3.20 0.00 -1.26 -1.23 121.76 122.71 1n7i s ALA 716 Ca 0.14 0.26 -0.10 0.00 0.00 0.00 0.00 51.96 52.26 1n7i s ALA 716 Cb -0.05 -2.94 -0.05 0.00 0.00 0.00 0.00 23.12 20.08 1n7i s ALA 716 CO 0.08 0.15 0.15 -0.51 0.00 0.00 0.00 175.76 175.64 1n7i s LEU 717 N -0.42 4.09 -1.17 0.00 1.02 0.69 -4.52 118.68 118.36 1n7i s LEU 717 Ca 0.37 0.10 -0.22 0.00 0.02 0.00 0.00 54.13 54.39 1n7i s LEU 717 Cb -0.21 -2.09 0.00 0.00 0.02 0.00 0.00 46.19 43.91 1n7i s LEU 717 CO 0.23 0.07 0.75 1.21 0.02 0.00 0.00 176.35 178.63 1n7i n GLU 718 N 4.27 -1.15 -5.09 1.70 4.07 0.80 -2.90 120.64 122.34 1n7i n GLU 718 Ca -0.15 0.37 -0.30 0.00 -0.06 0.00 0.00 57.16 57.03 1n7i n GLU 718 Cb 0.52 -3.82 -0.15 0.00 -0.06 0.00 0.00 31.44 27.92 1n7i n GLU 718 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1n7i s GLU 719 N -6.32 1.89 -0.01 5.31 2.12 -1.26 -4.19 118.70 116.24 1n7i s GLU 719 Ca 0.45 -0.96 0.02 0.00 0.36 0.00 0.00 54.97 54.84 1n7i s GLU 719 Cb -0.18 -1.92 -0.03 0.00 0.26 0.00 0.00 34.13 32.26 1n7i s GLU 719 CO 0.89 0.51 0.03 -1.13 -0.54 0.00 0.00 175.26 175.02 1n7i n SER 720 N 2.20 4.42 -3.82 -1.70 3.41 -1.26 -1.81 113.62 115.07 1n7i n SER 720 Ca -0.16 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.35 1n7i n SER 720 Cb 0.52 0.80 -0.05 0.00 -0.26 0.00 0.00 64.21 65.22 1n7i n SER 720 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 1n7i s TRP 721 N -2.11 0.09 -0.06 7.33 1.48 -1.26 0.93 118.94 125.34 1n7i s TRP 721 Ca -0.01 -0.45 -0.30 0.00 -1.06 0.00 0.00 56.10 54.29 1n7i s TRP 721 Cb 0.01 0.17 0.09 0.00 -1.16 0.00 0.00 33.47 32.59 1n7i s TRP 721 CO 0.10 -0.79 0.80 1.52 -4.06 0.00 0.00 176.95 174.52 1n7i s TYR 722 N -3.90 -0.51 -0.15 1.66 -0.85 -0.82 -2.62 117.35 110.15 1n7i s TYR 722 Ca 0.11 0.78 -0.10 0.00 -0.52 0.00 0.00 57.07 57.34 1n7i s TYR 722 Cb 0.01 0.45 -0.05 0.00 0.38 0.00 0.00 41.96 42.76 1n7i s TYR 722 CO -0.03 -0.54 0.19 -0.51 -1.52 0.00 0.00 175.55 173.14 1n7i s LEU 723 N -1.47 4.30 -0.40 -3.49 1.43 0.26 -1.18 118.68 118.13 1n7i s LEU 723 Ca -0.05 0.44 0.11 0.00 -1.03 0.00 0.00 54.13 53.60 1n7i s LEU 723 Cb -0.00 -2.19 0.41 0.00 0.03 0.00 0.00 46.19 44.44 1n7i s LEU 723 CO 0.03 0.26 0.96 0.00 0.23 0.00 0.00 176.35 177.82 1n7i n ALA 724 N 2.83 3.82 0.00 4.21 0.00 0.21 -4.68 120.51 126.90 1n7i n ALA 724 Ca -0.16 -3.76 0.00 0.00 0.00 0.00 0.00 53.44 49.52 1n7i n ALA 724 Cb 0.53 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.19 1n7i n ALA 724 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n7i n GLY 725 N -0.15 0.93 0.11 0.00 0.00 -1.26 -0.31 105.19 104.51 1n7i n GLY 725 Ca 0.24 -1.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 1n7i n GLY 725 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1n7i h GLU 726 N 0.00 0.24 -6.61 1.61 4.81 -1.96 -3.45 114.58 109.22 1n7i h GLU 726 Ca 0.00 -0.17 -0.52 0.00 -0.13 0.00 0.00 59.36 58.54 1n7i h GLU 726 Cb 0.00 0.03 0.04 0.00 0.63 0.00 0.00 28.75 29.45 1n7i h GLU 726 CO 0.00 0.77 0.86 0.00 -0.73 0.00 0.00 179.01 179.91 1n7i s ALA 727 N -3.85 3.75 -0.41 2.92 0.00 -1.23 -5.00 121.76 117.93 1n7i s ALA 727 Ca -0.15 1.34 0.01 0.00 0.00 0.00 0.00 51.96 53.16 1n7i s ALA 727 Cb 0.03 -3.61 0.11 0.00 0.00 0.00 0.00 23.12 19.65 1n7i s ALA 727 CO 0.74 -0.76 0.17 0.50 0.00 0.00 0.00 175.76 176.40 1n7i s ARG 728 N 1.07 1.83 0.18 0.00 3.52 -1.26 -0.62 118.95 123.67 1n7i s ARG 728 Ca 0.69 -1.98 -0.14 0.00 -0.13 0.00 0.00 55.73 54.17 1n7i s ARG 728 Cb -0.43 -3.42 -0.07 0.00 -1.56 0.00 0.00 34.95 29.47 1n7i s ARG 728 CO 0.32 -1.03 0.57 -0.51 -0.81 0.00 0.00 175.30 173.84 1n7i s LEU 729 N 0.80 4.28 -0.03 -0.88 1.02 -0.32 -4.88 118.68 118.66 1n7i s LEU 729 Ca 0.11 1.08 -0.10 0.00 0.02 0.00 0.00 54.13 55.24 1n7i s LEU 729 Cb -0.21 -3.45 -0.05 0.00 0.02 0.00 0.00 46.19 42.50 1n7i s LEU 729 CO -0.05 0.03 0.28 0.42 0.02 0.00 0.00 176.35 177.05 1n7i s THR 730 N -1.59 5.26 0.07 5.49 -4.23 -1.26 -1.95 115.64 117.43 1n7i s THR 730 Ca 0.42 0.45 0.02 0.00 -1.18 0.00 0.00 61.69 61.40 1n7i s THR 730 Cb -0.14 -3.57 -0.03 0.00 1.34 0.00 0.00 72.50 70.10 1n7i s THR 730 CO 0.20 0.53 -0.08 0.68 -0.54 0.00 0.00 174.62 175.40 1n7i s VAL 731 N -1.13 0.66 -0.15 2.29 -7.23 0.26 -4.70 120.40 110.40 1n7i s VAL 731 Ca 0.22 -1.44 -0.29 0.00 -1.81 0.00 0.00 61.98 58.66 1n7i s VAL 731 Cb -0.14 -1.07 -0.01 0.00 0.56 0.00 0.00 36.38 35.72 1n7i s VAL 731 CO 0.11 -0.56 1.15 0.54 -0.31 0.00 0.00 175.10 176.03 1n7i s VAL 732 N -2.25 4.46 -0.07 1.32 0.11 -0.93 -4.10 120.40 118.94 1n7i s VAL 732 Ca -0.01 1.77 -0.30 0.00 -2.93 0.00 0.00 61.98 60.51 1n7i s VAL 732 Cb -0.04 -4.14 -0.03 0.00 -1.53 0.00 0.00 36.38 30.64 1n7i s VAL 732 CO -0.01 -0.10 1.23 -2.16 -3.33 0.00 0.00 175.10 170.72 1n7i s PRO 733 N 2.95 4.32 0.11 1.54 0.04 -0.75 -4.61 135.00 138.60 1n7i s PRO 733 Ca 0.51 1.69 0.08 0.00 0.04 0.00 0.00 61.00 63.32 1n7i s PRO 733 Cb -0.20 -3.60 -0.04 0.00 0.04 0.00 0.00 34.50 30.71 1n7i s PRO 733 CO 0.14 -0.51 -0.20 0.14 0.04 0.00 0.00 177.00 176.61 1n7i s VAL 734 N 2.48 1.69 0.30 -0.36 -7.23 -1.26 -4.78 120.40 111.24 1n7i s VAL 734 Ca 0.56 -1.57 0.06 0.00 -1.81 0.00 0.00 61.98 59.22 1n7i s VAL 734 Cb -0.24 -1.57 -0.02 0.00 0.56 0.00 0.00 36.38 35.11 1n7i s VAL 734 CO 0.21 -0.10 0.38 -0.94 -0.31 0.00 0.00 175.10 174.35 1n7i s SER 735 N -1.98 5.88 0.20 4.85 1.04 -1.26 -0.14 113.70 122.28 1n7i s SER 735 Ca 0.07 -0.19 -0.12 0.00 0.48 0.00 0.00 55.95 56.19 1n7i s SER 735 Cb -0.10 -1.35 0.23 0.00 0.10 0.00 0.00 66.02 64.91 1n7i s SER 735 CO 0.04 -0.29 1.71 -0.08 0.98 0.00 0.00 173.24 175.60 1n7i h GLU 736 N 1.08 0.23 -0.20 4.02 4.81 -2.00 -2.29 114.58 120.24 1n7i h GLU 736 Ca -0.47 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 58.80 1n7i h GLU 736 Cb 1.25 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.51 1n7i h GLU 736 CO 0.56 0.15 -0.26 0.93 -0.73 0.00 0.00 179.01 179.67 1n7i h GLU 737 N 0.24 -0.28 -0.38 1.92 5.08 -1.99 0.15 114.58 119.33 1n7i h GLU 737 Ca 0.28 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.77 1n7i h GLU 737 Cb 0.39 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1n7i h GLU 737 CO -0.36 -0.18 0.33 0.93 -1.00 0.00 0.00 179.01 178.72 1n7i h GLU 738 N -0.29 0.00 0.23 2.33 5.08 -1.82 0.18 114.58 120.29 1n7i h GLU 738 Ca 0.12 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.15 1n7i h GLU 738 Cb 0.47 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.75 1n7i h GLU 738 CO -0.36 0.00 -1.50 0.28 -1.00 0.00 0.00 179.01 176.42 1n7i h VAL 739 N 0.00 1.20 -0.76 3.13 2.07 -0.63 0.04 116.25 121.30 1n7i h VAL 739 Ca 0.18 -2.63 -0.04 0.00 0.82 0.00 0.00 66.70 65.03 1n7i h VAL 739 Cb 0.83 2.98 -0.03 0.00 -1.52 0.00 0.00 31.29 33.55 1n7i h VAL 739 CO -0.00 0.81 0.32 -0.09 0.02 0.00 0.00 177.57 178.63 1n7i h ARG 740 N 0.08 1.13 0.34 1.57 2.43 0.23 -1.62 114.38 118.54 1n7i h ARG 740 Ca -0.27 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 58.68 1n7i h ARG 740 Cb 2.10 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 31.47 1n7i h ARG 740 CO 0.24 0.91 -0.16 1.49 -1.51 0.00 0.00 179.97 180.93 1n7i h GLU 741 N 1.09 -0.44 -0.87 0.20 4.57 -0.75 -2.11 114.58 116.26 1n7i h GLU 741 Ca 0.25 0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.57 1n7i h GLU 741 Cb 0.20 0.10 -0.08 0.00 -0.16 0.00 0.00 28.75 28.81 1n7i h GLU 741 CO -0.02 -0.25 0.50 0.00 -1.18 0.00 0.00 179.01 178.06 1n7i h ALA 742 N 0.12 1.27 0.70 2.92 0.00 -0.75 -1.99 119.26 121.52 1n7i h ALA 742 Ca -0.05 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1n7i h ALA 742 Cb 0.39 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1n7i h ALA 742 CO 0.08 0.10 -0.33 -0.07 0.00 0.00 0.00 179.25 179.02 1n7i h LEU 743 N 0.81 -0.79 -0.67 0.00 3.38 -1.19 -2.42 115.31 114.43 1n7i h LEU 743 Ca 0.43 -0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.53 1n7i h LEU 743 Cb 0.44 0.20 -0.13 0.00 0.09 0.00 0.00 40.66 41.26 1n7i h LEU 743 CO -0.27 -0.48 -0.20 0.58 0.09 0.00 0.00 178.44 178.16 1n7i h VAL 744 N -1.08 0.28 -0.67 1.22 2.07 -1.12 -0.61 116.25 116.35 1n7i h VAL 744 Ca -0.10 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.46 1n7i h VAL 744 Cb 0.75 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 1n7i h VAL 744 CO 0.16 0.00 0.41 0.03 0.02 0.00 0.00 177.57 178.19 1n7i h ARG 745 N -0.03 0.77 0.00 1.57 3.08 -1.35 -1.63 114.38 116.78 1n7i h ARG 745 Ca 0.31 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1n7i h ARG 745 Cb 0.52 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1n7i h ARG 745 CO -0.71 0.51 0.00 0.43 -1.07 0.00 0.00 179.97 179.13 1n7i n SER 746 N -4.71 0.00 0.00 7.04 7.64 -0.26 -4.84 113.62 118.49 1n7i n SER 746 Ca 0.07 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1n7i n SER 746 Cb 0.10 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 1n7i n SER 746 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n7i n GLY 747 N 0.04 1.16 3.85 0.23 0.00 -0.61 -4.95 105.19 104.92 1n7i n GLY 747 Ca 0.10 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 1n7i n GLY 747 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n7i s TYR 748 N -2.00 2.92 -0.15 1.61 2.02 -1.10 -1.92 117.35 118.74 1n7i s TYR 748 Ca 0.00 -0.28 -0.01 0.00 -0.37 0.00 0.00 57.07 56.41 1n7i s TYR 748 Cb 0.00 -1.76 -0.01 0.00 -0.40 0.00 0.00 41.96 39.79 1n7i s TYR 748 CO 0.00 0.22 -0.12 0.21 -1.57 0.00 0.00 175.55 174.28 1n7i s LYS 749 N -3.98 3.34 -0.28 -0.62 2.20 0.70 -4.21 119.74 116.89 1n7i s LYS 749 Ca 0.40 -0.69 -0.27 0.00 -0.36 0.00 0.00 55.97 55.05 1n7i s LYS 749 Cb -0.06 -2.69 0.01 0.00 -1.51 0.00 0.00 37.83 33.58 1n7i s LYS 749 CO 0.26 0.10 0.97 0.08 -0.36 0.00 0.00 175.35 176.40 1n7i s VAL 750 N 0.64 4.67 -0.10 4.02 1.01 -1.26 -1.45 120.40 127.93 1n7i s VAL 750 Ca -0.07 1.69 0.21 0.00 0.00 0.00 0.00 61.98 63.81 1n7i s VAL 750 Cb -0.15 -4.29 -0.24 0.00 0.00 0.00 0.00 36.38 31.70 1n7i s VAL 750 CO 0.03 -0.28 0.59 0.54 0.00 0.00 0.00 175.10 175.98 1n7i n ARG 751 N 6.44 0.65 -3.62 2.72 1.74 0.35 -4.95 116.66 119.98 1n7i n ARG 751 Ca 0.09 -0.07 -0.03 0.00 -0.77 0.00 0.00 57.85 57.07 1n7i n ARG 751 Cb 0.47 -1.61 -0.06 0.00 -1.02 0.00 0.00 32.46 30.23 1n7i n ARG 751 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1n7i s ASP 752 N -4.91 -0.69 -0.17 0.55 2.15 -0.93 -4.98 116.67 107.69 1n7i s ASP 752 Ca -0.06 1.08 -0.03 0.00 0.43 0.00 0.00 52.55 53.97 1n7i s ASP 752 Cb 0.12 1.38 0.05 0.00 -0.30 0.00 0.00 42.92 44.17 1n7i s ASP 752 CO 0.87 -0.17 0.04 -0.22 -0.17 0.00 0.00 175.17 175.52 1n7i s LEU 753 N 1.64 0.97 0.13 -1.34 2.96 -1.26 -0.48 118.68 121.31 1n7i s LEU 753 Ca -0.09 -0.68 0.11 0.00 -0.22 0.00 0.00 54.13 53.25 1n7i s LEU 753 Cb -0.05 -0.52 -0.04 0.00 0.50 0.00 0.00 46.19 46.08 1n7i s LEU 753 CO -0.17 -0.29 -0.24 -0.13 -1.32 0.00 0.00 176.35 174.19 1n7i s ARG 754 N 1.91 1.51 -0.12 1.98 0.52 0.03 -4.98 118.95 119.81 1n7i s ARG 754 Ca 0.00 -1.32 0.02 0.00 -0.52 0.00 0.00 55.73 53.90 1n7i s ARG 754 Cb -0.16 -1.95 0.02 0.00 0.52 0.00 0.00 34.95 33.37 1n7i s ARG 754 CO -0.08 0.45 -0.15 0.99 0.02 0.00 0.00 175.30 176.53 1n7i s THR 755 N -1.15 1.54 -0.29 0.02 2.01 -1.26 -1.28 115.64 115.24 1n7i s THR 755 Ca 0.16 -0.66 -0.11 0.00 0.31 0.00 0.00 61.69 61.38 1n7i s THR 755 Cb -0.10 -1.41 -0.05 0.00 0.01 0.00 0.00 72.50 70.96 1n7i s THR 755 CO 0.07 0.45 0.21 -0.47 -0.69 0.00 0.00 174.62 174.19 1n7i s TYR 756 N 1.04 3.22 -0.30 4.92 5.04 0.11 -4.93 117.35 126.45 1n7i s TYR 756 Ca -0.05 0.10 -0.26 0.00 -2.44 0.00 0.00 57.07 54.42 1n7i s TYR 756 Cb -0.15 -2.41 0.01 0.00 0.35 0.00 0.00 41.96 39.77 1n7i s TYR 756 CO -0.03 -0.19 0.92 0.42 -1.34 0.00 0.00 175.55 175.33 1n7i s ILE 757 N 1.78 4.68 0.07 3.14 1.09 -1.26 -0.17 121.20 130.53 1n7i s ILE 757 Ca 0.07 1.48 -0.31 0.00 -1.10 0.00 0.00 60.65 60.79 1n7i s ILE 757 Cb -0.16 -4.26 -0.10 0.00 -1.06 0.00 0.00 42.46 36.88 1n7i s ILE 757 CO 0.11 -0.32 1.89 0.80 -0.10 0.00 0.00 174.94 177.32 1n7i n MET 758 N 6.44 2.77 -2.40 2.79 1.56 -0.58 -4.94 117.12 122.75 1n7i n MET 758 Ca 0.08 1.01 -0.32 0.00 -0.27 0.00 0.00 57.70 58.19 1n7i n MET 758 Cb 0.47 -2.92 -0.03 0.00 2.15 0.00 0.00 33.22 32.89 1n7i n MET 758 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1n7i s PRO 759 N 3.48 3.91 0.20 2.12 0.04 -1.26 -4.85 135.00 138.64 1n7i s PRO 759 Ca 0.86 1.01 -0.16 0.00 0.04 0.00 0.00 61.00 62.75 1n7i s PRO 759 Cb -0.48 -2.13 0.20 0.00 0.04 0.00 0.00 34.50 32.12 1n7i s PRO 759 CO 0.40 -0.31 1.62 0.00 0.04 0.00 0.00 177.00 178.75 1n7i h ALA 760 N 0.98 0.27 -0.55 8.56 0.00 -1.96 -0.92 119.26 125.64 1n7i h ALA 760 Ca -0.47 0.21 0.16 0.00 0.00 0.00 0.00 54.91 54.81 1n7i h ALA 760 Cb 1.19 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 1n7i h ALA 760 CO 0.61 -0.50 0.48 1.25 0.00 0.00 0.00 179.25 181.08 1n7i h HIS 761 N -0.06 0.00 -0.49 0.00 -0.00 -2.03 0.10 115.15 112.68 1n7i h HIS 761 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.65 1n7i h HIS 761 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.90 1n7i h HIS 761 CO -0.54 0.00 0.00 1.28 -0.00 0.00 0.00 177.93 178.67 1n7i n LEU 762 N -3.99 3.63 -4.49 0.26 4.77 -0.37 -4.80 117.00 112.01 1n7i n LEU 762 Ca 0.10 -1.64 -0.43 0.00 -0.03 0.00 0.00 56.01 54.01 1n7i n LEU 762 Cb 0.69 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 1n7i n LEU 762 CO 0.32 0.82 1.11 -1.10 -1.33 0.00 0.00 177.39 177.21 1n7i s GLN 763 N -1.35 3.46 0.27 3.23 -1.52 0.35 -4.95 119.66 119.15 1n7i s GLN 763 Ca 0.42 -1.25 0.08 0.00 -1.95 0.00 0.00 55.36 52.66 1n7i s GLN 763 Cb 0.24 -4.85 -0.04 0.00 -0.22 0.00 0.00 33.01 28.14 1n7i s GLN 763 CO 0.32 -1.95 0.14 0.95 -0.25 0.00 0.00 175.29 174.50 1n7i s THR 764 N 3.93 3.98 -1.98 -0.19 -4.23 -1.26 -4.97 115.64 110.92 1n7i s THR 764 Ca 0.35 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 59.28 1n7i s THR 764 Cb -0.06 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.60 1n7i s THR 764 CO -0.04 -0.34 0.12 0.61 -0.54 0.00 0.00 174.62 174.44 1n7i n GLY 765 N -1.10 -0.12 0.22 3.99 0.00 -1.26 -2.95 105.19 103.97 1n7i n GLY 765 Ca -0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.06 1n7i n GLY 765 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1n7i h VAL 766 N 0.00 0.26 -2.18 1.61 -1.51 -1.95 -3.45 116.25 109.03 1n7i h VAL 766 Ca 0.00 -1.14 0.21 0.00 -1.23 0.00 0.00 66.70 64.54 1n7i h VAL 766 Cb 0.00 1.93 -0.08 0.00 -2.13 0.00 0.00 31.29 31.01 1n7i h VAL 766 CO 0.00 0.13 0.60 1.51 -1.23 0.00 0.00 177.57 178.58 1n7i s ASP 767 N -6.14 -0.10 -0.37 4.19 3.84 -1.15 0.91 116.67 117.84 1n7i s ASP 767 Ca 0.04 -0.40 0.06 0.00 -0.00 0.00 0.00 52.55 52.25 1n7i s ASP 767 Cb 0.07 0.41 0.56 0.00 -1.38 0.00 0.00 42.92 42.58 1n7i s ASP 767 CO 0.65 -0.77 1.65 -0.90 -0.00 0.00 0.00 175.17 175.80 1n7i n ASP 768 N -0.67 3.29 -4.70 2.11 3.85 -1.08 -4.71 116.55 114.65 1n7i n ASP 768 Ca -0.06 -3.73 -0.38 0.00 -0.71 0.00 0.00 54.79 49.92 1n7i n ASP 768 Cb 0.61 -0.72 0.06 0.00 -1.35 0.00 0.00 41.12 39.71 1n7i n ASP 768 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 1n7i n VAL 769 N -1.11 4.29 0.00 2.12 0.31 -1.26 -4.64 118.33 118.04 1n7i n VAL 769 Ca 0.45 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1n7i n VAL 769 Cb 1.25 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 1n7i n VAL 769 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1n7i n LYS 770 N -1.39 3.07 -3.76 5.55 4.76 -1.14 -4.96 118.16 120.29 1n7i n LYS 770 Ca 0.14 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.60 1n7i n LYS 770 Cb 0.47 -0.71 0.00 0.00 -1.84 0.00 0.00 35.03 32.95 1n7i n LYS 770 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1n7i s GLY 771 N -1.33 -0.30 0.04 0.72 0.00 -1.22 -1.53 107.32 103.70 1n7i s GLY 771 Ca 0.00 0.44 0.03 0.00 0.00 0.00 0.00 44.72 45.19 1n7i s GLY 771 CO 0.00 2.19 -0.10 0.14 0.00 0.00 0.00 173.10 175.33 1n7i s VAL 772 N -2.25 0.78 0.03 1.40 1.01 0.76 -0.22 120.40 121.90 1n7i s VAL 772 Ca 0.20 -1.01 0.09 0.00 0.00 0.00 0.00 61.98 61.26 1n7i s VAL 772 Cb 0.03 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1n7i s VAL 772 CO -0.03 -0.20 -0.25 0.72 0.00 0.00 0.00 175.10 175.34 1n7i s PHE 773 N -1.08 2.23 -0.13 5.22 -0.12 -0.37 0.04 117.98 123.77 1n7i s PHE 773 Ca -0.04 -0.41 0.02 0.00 -0.05 0.00 0.00 56.93 56.45 1n7i s PHE 773 Cb -0.09 -1.36 0.01 0.00 -0.63 0.00 0.00 43.02 40.96 1n7i s PHE 773 CO 0.01 0.09 -0.21 0.12 -0.05 0.00 0.00 175.22 175.18 1n7i s PHE 774 N -0.76 2.50 -0.06 3.49 5.36 -0.41 -1.81 117.98 126.29 1n7i s PHE 774 Ca 0.11 -1.23 0.03 0.00 -0.96 0.00 0.00 56.93 54.88 1n7i s PHE 774 Cb -0.10 -1.72 0.01 0.00 -0.34 0.00 0.00 43.02 40.88 1n7i s PHE 774 CO 0.01 -0.57 -0.14 0.00 -1.46 0.00 0.00 175.22 173.06 1n7i s ALA 775 N 0.81 1.39 -0.27 11.12 0.00 0.21 -0.79 121.76 134.23 1n7i s ALA 775 Ca -0.08 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.39 1n7i s ALA 775 Cb -0.16 -0.56 0.06 0.00 0.00 0.00 0.00 23.12 22.46 1n7i s ALA 775 CO -0.01 0.17 -0.09 -0.46 0.00 0.00 0.00 175.76 175.37 1n7i s TRP 776 N 0.47 3.31 0.09 0.00 -0.00 0.37 0.37 118.94 123.55 1n7i s TRP 776 Ca -0.12 -2.36 0.06 0.00 -0.00 0.00 0.00 56.10 53.68 1n7i s TRP 776 Cb -0.15 -2.02 -0.03 0.00 -0.00 0.00 0.00 33.47 31.27 1n7i s TRP 776 CO 0.04 -0.88 -0.16 0.00 -0.00 0.00 0.00 176.95 175.95 1n7i s ALA 777 N 1.09 1.41 -0.11 5.86 0.00 -0.34 -0.50 121.76 129.18 1n7i s ALA 777 Ca -0.07 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 50.78 1n7i s ALA 777 Cb -0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 1n7i s ALA 777 CO -0.05 0.20 -0.17 -1.14 0.00 0.00 0.00 175.76 174.60 1n7i s GLN 778 N -1.99 3.16 0.76 0.00 0.74 -0.53 0.50 119.66 122.30 1n7i s GLN 778 Ca 0.03 -0.76 -0.11 0.00 0.05 0.00 0.00 55.36 54.57 1n7i s GLN 778 Cb -0.09 -2.48 0.05 0.00 1.10 0.00 0.00 33.01 31.59 1n7i s GLN 778 CO 0.03 0.25 1.09 0.21 -0.55 0.00 0.00 175.29 176.32 1n7i s LYS 779 N 0.22 2.35 0.00 1.67 2.20 0.18 -0.21 119.74 126.15 1n7i s LYS 779 Ca -0.11 1.18 0.03 0.00 -0.36 0.00 0.00 55.97 56.72 1n7i s LYS 779 Cb -0.16 -1.91 0.03 0.00 -1.51 0.00 0.00 37.83 34.28 1n7i s LYS 779 CO 0.06 -1.57 0.61 0.28 -0.36 0.00 0.00 175.35 174.37