#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xyb n TYR 502 N 0.00 2.93 -2.91 1.43 4.01 -1.26 -5.03 117.16 116.33 1xyb n TYR 502 Ca 0.00 -3.32 -0.41 0.00 -0.16 0.00 0.00 57.90 54.01 1xyb n TYR 502 Cb 0.00 -0.25 -0.04 0.00 -0.31 0.00 0.00 39.34 38.74 1xyb n TYR 502 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1xyb s GLN 503 N -3.37 4.25 0.41 -0.72 -0.44 -1.26 -4.64 119.66 113.89 1xyb s GLN 503 Ca 0.44 0.95 -0.25 0.00 -2.50 0.00 0.00 55.36 54.00 1xyb s GLN 503 Cb 0.38 -3.60 -0.08 0.00 -1.64 0.00 0.00 33.01 28.07 1xyb s GLN 503 CO -0.13 -0.38 1.20 -1.25 0.50 0.00 0.00 175.29 175.23 1xyb s PRO 504 N 2.34 4.01 0.21 1.67 0.04 -1.26 -5.07 135.00 136.93 1xyb s PRO 504 Ca 0.36 1.90 0.05 0.00 0.04 0.00 0.00 61.00 63.36 1xyb s PRO 504 Cb -0.16 -2.67 -0.05 0.00 0.04 0.00 0.00 34.50 31.66 1xyb s PRO 504 CO 0.11 -0.38 -0.08 0.95 0.04 0.00 0.00 177.00 177.64 1xyb s THR 505 N -1.39 1.36 0.66 1.26 -4.23 -1.25 -4.53 115.64 107.52 1xyb s THR 505 Ca 0.58 -2.10 0.36 0.00 -1.18 0.00 0.00 61.69 59.34 1xyb s THR 505 Cb -0.32 -2.13 0.36 0.00 1.34 0.00 0.00 72.50 71.75 1xyb s THR 505 CO 0.40 -0.52 2.11 1.55 -0.54 0.00 0.00 174.62 177.62 1xyb h PRO 506 N 2.56 0.00 0.00 3.99 0.13 -1.77 -0.28 132.00 136.63 1xyb h PRO 506 Ca -0.38 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1xyb h PRO 506 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1xyb h PRO 506 CO 0.64 0.00 -0.00 0.93 -0.23 0.00 0.00 178.00 179.34 1xyb h GLU 507 N 0.00 0.00 -0.00 0.86 5.08 -1.95 -2.69 114.58 115.88 1xyb h GLU 507 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1xyb h GLU 507 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1xyb h GLU 507 CO -0.00 0.00 -0.02 -0.25 -1.00 0.00 0.00 179.01 177.74 1xyb n ASP 508 N -3.09 0.25 -2.78 1.42 8.00 -0.12 -4.95 116.55 115.28 1xyb n ASP 508 Ca -0.02 -0.78 -0.19 0.00 0.71 0.00 0.00 54.79 54.51 1xyb n ASP 508 Cb 0.13 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1xyb n ASP 508 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xyb n ARG 509 N -0.93 -3.08 -2.46 -1.24 1.74 -1.01 -4.68 116.66 104.99 1xyb n ARG 509 Ca 0.19 0.74 -0.42 0.00 -0.77 0.00 0.00 57.85 57.59 1xyb n ARG 509 Cb 0.20 -5.45 -0.03 0.00 -1.02 0.00 0.00 32.46 26.16 1xyb n ARG 509 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1xyb s PHE 510 N -2.92 3.13 0.15 -1.55 0.08 -1.26 -1.13 117.98 114.49 1xyb s PHE 510 Ca 0.17 1.19 0.06 0.00 0.12 0.00 0.00 56.93 58.46 1xyb s PHE 510 Cb -0.08 -3.43 -0.04 0.00 -0.57 0.00 0.00 43.02 38.90 1xyb s PHE 510 CO 0.20 -1.35 -0.13 0.95 -0.10 0.00 0.00 175.22 174.80 1xyb s THR 511 N 2.47 1.41 0.00 0.64 -4.23 -0.59 -0.45 115.64 114.90 1xyb s THR 511 Ca 0.55 -1.96 0.01 0.00 -1.18 0.00 0.00 61.69 59.11 1xyb s THR 511 Cb -0.24 -1.77 -0.00 0.00 1.34 0.00 0.00 72.50 71.83 1xyb s THR 511 CO 0.20 -0.56 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.34 1xyb s PHE 512 N -2.70 0.25 0.53 3.99 0.40 -1.05 -0.69 117.98 118.70 1xyb s PHE 512 Ca 0.15 -0.10 -0.20 0.00 -0.60 0.00 0.00 56.93 56.19 1xyb s PHE 512 Cb -0.02 -0.16 -0.06 0.00 0.51 0.00 0.00 43.02 43.29 1xyb s PHE 512 CO 0.03 -0.02 1.13 0.20 0.70 0.00 0.00 175.22 177.26 1xyb s GLY 513 N -0.22 2.64 0.43 4.36 0.00 -1.24 -1.20 107.32 112.08 1xyb s GLY 513 Ca -0.01 0.82 0.14 0.00 0.00 0.00 0.00 44.72 45.67 1xyb s GLY 513 CO -0.00 1.18 1.96 1.41 0.00 0.00 0.00 173.10 177.65 1xyb h LEU 514 N 1.32 0.00 0.00 0.66 3.38 -1.71 -2.55 115.31 116.41 1xyb h LEU 514 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1xyb h LEU 514 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1xyb h LEU 514 CO 0.57 0.22 0.00 -2.67 0.09 0.00 0.00 178.44 176.66 1xyb n TRP 515 N -4.27 0.00 0.00 1.13 2.14 -1.26 -2.53 117.44 112.64 1xyb n TRP 515 Ca -0.02 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.55 1xyb n TRP 515 Cb 0.28 -0.36 0.00 0.00 -0.81 0.00 0.00 31.31 30.42 1xyb n TRP 515 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1xyb n THR 516 N -1.36 0.00 0.30 -1.67 -2.24 -0.96 -2.63 114.28 105.71 1xyb n THR 516 Ca 0.08 0.11 0.17 0.00 -2.27 0.00 0.00 64.05 62.15 1xyb n THR 516 Cb 0.20 -0.55 0.93 0.00 -2.10 0.00 0.00 70.33 68.82 1xyb n THR 516 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1xyb h VAL 517 N 0.00 0.33 -0.00 2.28 -1.51 -1.76 0.13 116.25 115.72 1xyb h VAL 517 Ca 0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.26 1xyb h VAL 517 Cb 0.00 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.31 1xyb h VAL 517 CO 0.00 0.04 -0.00 0.61 -1.23 0.00 0.00 177.57 176.98 1xyb n GLY 518 N -0.94 -1.00 3.74 5.19 0.00 -1.05 -4.88 105.19 106.24 1xyb n GLY 518 Ca -0.02 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1xyb n GLY 518 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1xyb s TRP 519 N -2.06 3.16 -1.53 1.61 -0.00 0.45 -4.62 118.94 115.94 1xyb s TRP 519 Ca 0.46 1.07 0.27 0.00 -0.00 0.00 0.00 56.10 57.90 1xyb s TRP 519 Cb 0.22 -3.71 0.89 0.00 -0.00 0.00 0.00 33.47 30.86 1xyb s TRP 519 CO 0.38 -2.34 1.65 1.04 -0.00 0.00 0.00 176.95 177.68 1xyb n GLN 520 N 2.80 0.58 -0.19 5.86 6.02 -1.26 -4.88 117.38 126.31 1xyb n GLN 520 Ca 0.08 -0.29 0.00 0.00 -0.01 0.00 0.00 57.00 56.78 1xyb n GLN 520 Cb 0.41 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.18 1xyb n GLN 520 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xyb n GLY 521 N 1.36 0.82 3.72 1.08 0.00 -1.26 -0.90 105.19 110.01 1xyb n GLY 521 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1xyb n GLY 521 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xyb s ARG 522 N -0.81 4.51 0.18 1.61 3.52 -1.26 -4.43 118.95 122.27 1xyb s ARG 522 Ca 0.00 1.64 0.02 0.00 -0.13 0.00 0.00 55.73 57.27 1xyb s ARG 522 Cb 0.00 -3.37 -0.01 0.00 -1.56 0.00 0.00 34.95 30.01 1xyb s ARG 522 CO 0.00 -0.12 0.08 -0.40 -0.81 0.00 0.00 175.30 174.05 1xyb n ASP 523 N 3.60 0.79 0.32 -2.12 5.68 -0.61 -4.97 116.55 119.24 1xyb n ASP 523 Ca 0.07 -2.01 0.21 0.00 -0.50 0.00 0.00 54.79 52.55 1xyb n ASP 523 Cb 0.48 0.54 1.05 0.00 -1.14 0.00 0.00 41.12 42.05 1xyb n ASP 523 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 1xyb h PRO 524 N 0.00 0.00 0.00 0.11 0.13 -2.01 -2.95 132.00 127.28 1xyb h PRO 524 Ca -0.14 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1xyb h PRO 524 Cb 0.56 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.69 1xyb h PRO 524 CO 0.22 0.00 -0.08 1.19 -0.23 0.00 0.00 178.00 179.10 1xyb n PHE 525 N -3.08 0.00 -3.55 1.56 3.72 -1.26 -5.06 117.46 109.79 1xyb n PHE 525 Ca -0.02 -0.95 -0.13 0.00 -0.05 0.00 0.00 57.45 56.30 1xyb n PHE 525 Cb 0.15 -0.15 -0.05 0.00 -0.94 0.00 0.00 39.48 38.49 1xyb n PHE 525 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1xyb s GLY 526 N -2.75 -0.40 0.77 1.37 0.00 -1.12 -5.17 107.32 100.02 1xyb s GLY 526 Ca 0.30 1.68 -0.08 0.00 0.00 0.00 0.00 44.72 46.62 1xyb s GLY 526 CO 0.02 0.96 1.09 0.99 0.00 0.00 0.00 173.10 176.16 1xyb s ASP 527 N -1.23 4.37 0.44 1.64 1.01 -1.26 -1.58 116.67 120.06 1xyb s ASP 527 Ca -0.05 0.32 -0.26 0.00 0.71 0.00 0.00 52.55 53.28 1xyb s ASP 527 Cb -0.00 -0.80 -0.08 0.00 1.01 0.00 0.00 42.92 43.05 1xyb s ASP 527 CO 0.04 -1.89 1.39 0.00 0.21 0.00 0.00 175.17 174.92 1xyb s ALA 528 N -3.39 3.25 -0.69 5.23 0.00 -1.26 -4.18 121.76 120.72 1xyb s ALA 528 Ca 0.64 1.40 0.09 0.00 0.00 0.00 0.00 51.96 54.08 1xyb s ALA 528 Cb -0.09 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 1xyb s ALA 528 CO 0.47 -1.08 0.52 0.25 0.00 0.00 0.00 175.76 175.91 1xyb n THR 529 N -0.09 0.00 -4.16 0.00 -2.24 -0.08 -4.91 114.28 102.80 1xyb n THR 529 Ca 0.05 -0.37 -0.17 0.00 -2.27 0.00 0.00 64.05 61.28 1xyb n THR 529 Cb 0.42 1.07 -0.12 0.00 -2.10 0.00 0.00 70.33 69.60 1xyb n THR 529 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1xyb s ARG 530 N -1.43 0.76 0.66 -0.78 0.52 -0.89 -4.98 118.95 112.81 1xyb s ARG 530 Ca 0.06 -0.88 -0.14 0.00 -0.52 0.00 0.00 55.73 54.25 1xyb s ARG 530 Cb 0.07 -0.72 -0.00 0.00 0.52 0.00 0.00 34.95 34.82 1xyb s ARG 530 CO 0.26 0.16 1.09 -1.25 0.02 0.00 0.00 175.30 175.58 1xyb s PRO 531 N -1.63 2.89 0.35 3.54 0.04 -1.26 -4.74 135.00 134.20 1xyb s PRO 531 Ca -0.03 1.26 -0.28 0.00 0.04 0.00 0.00 61.00 61.98 1xyb s PRO 531 Cb -0.10 -1.97 -0.11 0.00 0.04 0.00 0.00 34.50 32.36 1xyb s PRO 531 CO 0.02 -1.16 1.45 0.00 0.04 0.00 0.00 177.00 177.35 1xyb s ALA 532 N -2.52 3.57 0.08 8.56 0.00 -1.26 -4.86 121.76 125.34 1xyb s ALA 532 Ca 0.64 1.49 -0.19 0.00 0.00 0.00 0.00 51.96 53.90 1xyb s ALA 532 Cb -0.18 -3.58 -0.07 0.00 0.00 0.00 0.00 23.12 19.29 1xyb s ALA 532 CO 0.43 -0.94 0.57 -0.51 0.00 0.00 0.00 175.76 175.31 1xyb s LEU 533 N -1.82 4.51 -0.01 0.00 1.43 -1.26 -5.07 118.68 116.46 1xyb s LEU 533 Ca 0.53 1.25 -0.30 0.00 -1.03 0.00 0.00 54.13 54.58 1xyb s LEU 533 Cb -0.45 -2.94 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 1xyb s LEU 533 CO 0.59 0.26 1.05 -0.62 0.23 0.00 0.00 176.35 177.85 1xyb s ASP 534 N -1.17 7.27 0.41 2.29 2.15 -1.26 -4.93 116.67 121.42 1xyb s ASP 534 Ca 0.30 1.73 0.23 0.00 0.43 0.00 0.00 52.55 55.23 1xyb s ASP 534 Cb -0.19 -2.57 1.24 0.00 -0.30 0.00 0.00 42.92 41.10 1xyb s ASP 534 CO 0.19 -0.35 1.69 -0.65 -0.17 0.00 0.00 175.17 175.88 1xyb h PRO 535 N 6.89 0.25 -0.44 4.34 0.11 -1.98 -0.36 132.00 140.81 1xyb h PRO 535 Ca -0.39 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.63 1xyb h PRO 535 Cb 1.20 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1xyb h PRO 535 CO 0.79 0.16 -0.01 0.28 -0.21 0.00 0.00 178.00 179.01 1xyb h VAL 536 N 0.25 1.26 -0.37 3.15 2.07 -1.92 -0.62 116.25 120.08 1xyb h VAL 536 Ca 0.71 -1.06 -0.09 0.00 0.82 0.00 0.00 66.70 67.08 1xyb h VAL 536 Cb 1.98 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.80 1xyb h VAL 536 CO -0.39 0.36 -0.15 -0.08 0.02 0.00 0.00 177.57 177.33 1xyb h GLU 537 N 0.62 0.68 -0.40 1.57 4.81 -1.47 -2.72 114.58 117.67 1xyb h GLU 537 Ca 0.12 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1xyb h GLU 537 Cb 0.51 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1xyb h GLU 537 CO 0.02 0.80 0.18 1.15 -0.73 0.00 0.00 179.01 180.44 1xyb h THR 538 N 0.61 1.18 -0.44 0.32 2.02 -1.04 -0.77 112.91 114.78 1xyb h THR 538 Ca 0.10 -0.52 0.01 0.00 0.77 0.00 0.00 66.41 66.77 1xyb h THR 538 Cb 0.61 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 1xyb h THR 538 CO 0.04 0.20 0.27 0.58 0.37 0.00 0.00 175.52 176.98 1xyb h VAL 539 N 0.50 1.07 0.00 3.16 2.07 -0.92 -0.40 116.25 121.75 1xyb h VAL 539 Ca 0.14 -0.19 -0.21 0.00 0.82 0.00 0.00 66.70 67.26 1xyb h VAL 539 Cb 0.14 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1xyb h VAL 539 CO -0.02 0.10 -0.99 0.06 0.02 0.00 0.00 177.57 176.75 1xyb h GLN 540 N 0.56 0.01 -0.20 1.57 3.07 -1.34 -1.43 115.11 117.34 1xyb h GLN 540 Ca 0.17 -0.02 -0.05 0.00 0.09 0.00 0.00 58.65 58.84 1xyb h GLN 540 Cb -0.02 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.54 1xyb h GLN 540 CO -0.06 0.99 -0.07 0.00 0.09 0.00 0.00 178.83 179.77 1xyb h ARG 541 N 0.00 0.41 -0.92 0.06 -0.00 -1.03 -2.13 114.38 110.77 1xyb h ARG 541 Ca -0.01 -0.17 0.03 0.00 -0.50 0.00 0.00 59.98 59.33 1xyb h ARG 541 Cb 1.75 -0.02 -0.05 0.00 0.00 0.00 0.00 29.97 31.65 1xyb h ARG 541 CO 0.13 0.68 0.60 -0.07 0.00 0.00 0.00 179.97 181.31 1xyb h LEU 542 N 0.12 1.01 -0.80 3.04 3.38 -1.10 -2.29 115.31 118.67 1xyb h LEU 542 Ca 0.05 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1xyb h LEU 542 Cb 0.54 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1xyb h LEU 542 CO 0.03 0.70 0.52 0.00 0.09 0.00 0.00 178.44 179.78 1xyb h ALA 543 N 1.37 1.03 -0.38 1.53 0.00 -1.22 -1.93 119.26 119.66 1xyb h ALA 543 Ca 0.36 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1xyb h ALA 543 Cb -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1xyb h ALA 543 CO -0.11 0.39 0.25 0.93 0.00 0.00 0.00 179.25 180.71 1xyb h GLU 544 N 1.05 0.42 0.00 0.00 5.08 -0.89 -2.17 114.58 118.07 1xyb h GLU 544 Ca 0.30 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1xyb h GLU 544 Cb -0.08 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1xyb h GLU 544 CO -0.08 0.28 0.00 -0.07 -1.00 0.00 0.00 179.01 178.14 1xyb h LEU 545 N 0.44 0.00 0.00 1.33 4.07 -0.84 -3.47 115.31 116.84 1xyb h LEU 545 Ca 0.15 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.11 1xyb h LEU 545 Cb 0.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.80 1xyb h LEU 545 CO -0.03 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.94 1xyb n GLY 546 N 0.79 1.14 3.74 0.83 0.00 -0.82 -4.63 105.19 106.24 1xyb n GLY 546 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1xyb n GLY 546 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyb s ALA 547 N -2.00 2.01 -0.19 4.61 0.00 -0.79 -3.27 121.76 122.12 1xyb s ALA 547 Ca 0.00 0.40 0.18 0.00 0.00 0.00 0.00 51.96 52.54 1xyb s ALA 547 Cb 0.00 -3.34 -0.25 0.00 0.00 0.00 0.00 23.12 19.53 1xyb s ALA 547 CO 0.00 -2.08 0.10 1.58 0.00 0.00 0.00 175.76 175.36 1xyb n HIS 548 N -3.70 0.02 -3.88 0.00 -0.00 0.40 -4.47 115.22 103.60 1xyb n HIS 548 Ca 0.10 0.01 -0.04 0.00 0.46 0.00 0.00 57.72 58.25 1xyb n HIS 548 Cb 0.53 -0.99 0.02 0.00 -0.12 0.00 0.00 29.99 29.43 1xyb n HIS 548 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1xyb s GLY 549 N -5.45 0.13 0.11 1.57 0.00 -1.20 -2.11 107.32 100.37 1xyb s GLY 549 Ca -0.10 -0.37 0.04 0.00 0.00 0.00 0.00 44.72 44.29 1xyb s GLY 549 CO 0.83 2.18 -0.10 -1.34 0.00 0.00 0.00 173.10 174.67 1xyb s VAL 550 N -2.20 1.01 0.35 1.40 -7.23 -0.43 -2.54 120.40 110.76 1xyb s VAL 550 Ca 0.21 -1.75 0.04 0.00 -1.81 0.00 0.00 61.98 58.67 1xyb s VAL 550 Cb -0.03 -1.49 -0.06 0.00 0.56 0.00 0.00 36.38 35.36 1xyb s VAL 550 CO 0.06 -0.60 0.06 0.42 -0.31 0.00 0.00 175.10 174.73 1xyb s THR 551 N -2.66 1.20 0.10 5.32 -4.23 -0.34 -4.01 115.64 111.01 1xyb s THR 551 Ca 0.08 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.37 1xyb s THR 551 Cb -0.01 -2.74 0.06 0.00 1.34 0.00 0.00 72.50 71.14 1xyb s THR 551 CO 0.00 0.00 0.55 0.72 -0.54 0.00 0.00 174.62 175.35 1xyb s PHE 552 N -3.22 -0.46 0.15 3.99 -0.71 -1.24 -1.66 117.98 114.83 1xyb s PHE 552 Ca 0.34 0.37 -0.03 0.00 -1.04 0.00 0.00 56.93 56.57 1xyb s PHE 552 Cb 0.08 0.42 -0.05 0.00 -1.21 0.00 0.00 43.02 42.26 1xyb s PHE 552 CO 0.15 -0.74 0.35 -1.01 -1.34 0.00 0.00 175.22 172.64 1xyb s HIS 553 N -3.12 3.48 0.23 3.49 3.76 -1.26 -1.01 115.29 120.87 1xyb s HIS 553 Ca -0.02 0.43 -0.07 0.00 -0.15 0.00 0.00 55.06 55.25 1xyb s HIS 553 Cb -0.00 -1.91 0.39 0.00 1.11 0.00 0.00 32.58 32.17 1xyb s HIS 553 CO -0.07 0.44 1.68 0.38 -0.85 0.00 0.00 174.74 176.32 1xyb h ASP 554 N 2.60 -0.07 0.80 1.40 2.03 -1.79 -1.31 116.42 120.10 1xyb h ASP 554 Ca -0.46 0.14 0.00 0.00 -0.73 0.00 0.00 57.03 55.98 1xyb h ASP 554 Cb 1.17 0.21 0.00 0.00 -0.83 0.00 0.00 39.33 39.88 1xyb h ASP 554 CO 0.72 -0.05 0.00 0.47 -1.03 0.00 0.00 179.24 179.35 1xyb n ASP 555 N -5.19 0.26 0.05 4.15 8.00 -1.26 -1.17 116.55 121.40 1xyb n ASP 555 Ca 0.12 0.55 -0.10 0.00 0.71 0.00 0.00 54.79 56.07 1xyb n ASP 555 Cb 0.41 -0.61 0.03 0.00 -0.02 0.00 0.00 41.12 40.93 1xyb n ASP 555 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1xyb h ASP 556 N 0.00 0.47 0.12 -2.24 3.32 -1.63 -3.38 116.42 113.08 1xyb h ASP 556 Ca 0.00 -0.31 -0.37 0.00 0.02 0.00 0.00 57.03 56.37 1xyb h ASP 556 Cb 0.40 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1xyb h ASP 556 CO 0.00 1.04 -2.08 -0.11 -1.72 0.00 0.00 179.24 176.37 1xyb n LEU 557 N -3.84 2.60 -4.00 1.55 7.94 -0.72 -4.81 117.00 115.71 1xyb n LEU 557 Ca -0.04 0.15 -0.31 0.00 -1.11 0.00 0.00 56.01 54.70 1xyb n LEU 557 Cb 0.70 -1.00 -0.15 0.00 0.53 0.00 0.00 43.42 43.50 1xyb n LEU 557 CO 0.48 0.85 -0.45 -0.63 -1.11 0.00 0.00 177.39 176.53 1xyb s ILE 558 N -2.55 1.78 0.14 1.96 1.01 -0.32 -4.81 121.20 118.41 1xyb s ILE 558 Ca -0.24 -1.29 -0.35 0.00 0.00 0.00 0.00 60.65 58.77 1xyb s ILE 558 Cb 0.07 -1.94 -0.16 0.00 0.01 0.00 0.00 42.46 40.45 1xyb s ILE 558 CO 0.74 0.01 1.33 -0.81 0.00 0.00 0.00 174.94 176.21 1xyb n PRO 559 N 4.59 1.38 -1.62 2.79 -0.04 -1.26 -4.07 135.00 136.77 1xyb n PRO 559 Ca -0.14 0.50 -0.48 0.00 -0.04 0.00 0.00 63.50 63.34 1xyb n PRO 559 Cb 0.44 -2.12 -0.04 0.00 -0.04 0.00 0.00 33.50 31.74 1xyb n PRO 559 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xyb n PHE 560 N 2.31 1.76 -0.71 0.54 -0.00 -1.26 -1.49 117.46 118.60 1xyb n PHE 560 Ca 0.17 0.53 0.00 0.00 -0.00 0.00 0.00 57.45 58.15 1xyb n PHE 560 Cb 0.23 -2.39 0.00 0.00 -0.00 0.00 0.00 39.48 37.33 1xyb n PHE 560 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xyb n GLY 561 N 2.38 0.74 3.76 7.13 0.00 -1.26 -5.04 105.19 112.89 1xyb n GLY 561 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1xyb n GLY 561 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xyb s SER 562 N -2.43 6.43 0.74 1.61 0.01 -0.56 -4.99 113.70 114.51 1xyb s SER 562 Ca 0.00 2.93 -0.13 0.00 1.31 0.00 0.00 55.95 60.06 1xyb s SER 562 Cb 0.00 -2.65 0.04 0.00 0.21 0.00 0.00 66.02 63.62 1xyb s SER 562 CO 0.00 -0.84 1.14 -0.94 0.41 0.00 0.00 173.24 173.01 1xyb s SER 563 N 0.15 4.45 0.56 2.44 1.04 -1.26 -4.69 113.70 116.39 1xyb s SER 563 Ca 0.57 2.08 0.25 0.00 0.48 0.00 0.00 55.95 59.34 1xyb s SER 563 Cb -0.46 -2.56 1.53 0.00 0.10 0.00 0.00 66.02 64.63 1xyb s SER 563 CO 0.54 -2.08 2.11 0.44 0.98 0.00 0.00 173.24 175.22 1xyb h ASP 564 N -0.55 0.00 -0.29 7.02 5.19 -1.98 0.10 116.42 125.91 1xyb h ASP 564 Ca -0.46 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 55.81 1xyb h ASP 564 Cb 1.26 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.77 1xyb h ASP 564 CO 0.51 0.00 -0.39 0.71 -3.12 0.00 0.00 179.24 176.95 1xyb h THR 565 N 0.00 1.30 -0.48 0.35 1.35 -2.00 -2.22 112.91 111.20 1xyb h THR 565 Ca 0.09 -1.58 -0.12 0.00 -0.55 0.00 0.00 66.41 64.25 1xyb h THR 565 Cb 0.43 1.62 -0.02 0.00 -1.73 0.00 0.00 68.15 68.46 1xyb h THR 565 CO -0.00 0.51 -0.18 -0.33 -0.25 0.00 0.00 175.52 175.27 1xyb h GLU 566 N 0.52 0.96 0.30 4.72 5.08 -1.69 -2.07 114.58 122.40 1xyb h GLU 566 Ca 0.03 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1xyb h GLU 566 Cb 0.98 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 1xyb h GLU 566 CO 0.09 1.05 -0.31 -0.09 -1.00 0.00 0.00 179.01 178.75 1xyb h ARG 567 N 0.84 -0.62 -0.30 2.33 2.43 -0.80 -2.23 114.38 116.03 1xyb h ARG 567 Ca 0.12 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1xyb h ARG 567 Cb 0.74 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.41 1xyb h ARG 567 CO 0.06 -0.41 0.10 0.93 -1.51 0.00 0.00 179.97 179.14 1xyb h GLU 568 N -0.64 0.43 -0.58 0.20 4.39 -1.30 -1.60 114.58 115.47 1xyb h GLU 568 Ca -0.01 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.53 1xyb h GLU 568 Cb 0.59 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1xyb h GLU 568 CO -0.07 0.38 -0.03 1.03 -1.16 0.00 0.00 179.01 179.16 1xyb h SER 569 N 0.43 1.04 -0.30 1.42 0.87 -1.26 -0.04 113.55 115.71 1xyb h SER 569 Ca 0.11 -0.31 -0.05 0.00 -1.23 0.00 0.00 61.79 60.31 1xyb h SER 569 Cb 0.13 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1xyb h SER 569 CO -0.01 1.10 -0.02 0.45 -0.53 0.00 0.00 176.83 177.83 1xyb h HIS 570 N 0.95 0.59 -0.70 2.24 3.86 -0.69 -2.11 115.15 119.29 1xyb h HIS 570 Ca 0.16 -0.11 -0.05 0.00 -1.16 0.00 0.00 60.37 59.22 1xyb h HIS 570 Cb 0.59 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.88 1xyb h HIS 570 CO 0.04 0.69 0.24 0.82 0.86 0.00 0.00 177.93 180.58 1xyb h ILE 571 N 0.32 1.25 0.23 2.45 2.04 -1.30 -2.48 117.51 120.02 1xyb h ILE 571 Ca 0.08 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 1xyb h ILE 571 Cb 0.46 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1xyb h ILE 571 CO 0.02 0.33 -0.11 0.50 0.00 0.00 0.00 178.15 178.88 1xyb h LYS 572 N 1.02 -0.30 0.00 2.37 3.11 -0.86 -1.25 116.57 120.67 1xyb h LYS 572 Ca 0.23 0.02 -0.09 0.00 -2.81 0.00 0.00 60.65 58.00 1xyb h LYS 572 Cb 0.25 0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.54 1xyb h LYS 572 CO -0.01 -0.14 -0.44 0.07 -2.81 0.00 0.00 179.45 176.12 1xyb h ARG 573 N -0.39 0.00 0.08 1.90 0.11 -1.31 -2.30 114.38 112.47 1xyb h ARG 573 Ca -0.03 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.04 1xyb h ARG 573 Cb 0.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.38 1xyb h ARG 573 CO 0.05 0.44 -0.04 0.35 0.10 0.00 0.00 179.97 180.88 1xyb h PHE 574 N 0.00 -0.10 -0.56 4.08 3.57 -1.30 -2.40 116.94 120.24 1xyb h PHE 574 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1xyb h PHE 574 Cb 0.80 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.54 1xyb h PHE 574 CO 0.00 0.16 0.33 -0.09 -2.23 0.00 0.00 178.31 176.48 1xyb h ARG 575 N -0.35 0.75 -0.63 1.11 2.43 -1.12 -0.35 114.38 116.21 1xyb h ARG 575 Ca -0.01 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 1xyb h ARG 575 Cb 0.30 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 1xyb h ARG 575 CO 0.02 0.53 0.15 1.96 -1.51 0.00 0.00 179.97 181.11 1xyb h GLN 576 N 0.76 0.99 -0.45 0.20 4.20 -1.27 -0.62 115.11 118.92 1xyb h GLN 576 Ca 0.20 -0.22 -0.11 0.00 0.06 0.00 0.00 58.65 58.58 1xyb h GLN 576 Cb -0.03 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 1xyb h GLN 576 CO -0.04 0.88 -0.15 0.00 -0.67 0.00 0.00 178.83 178.85 1xyb h ALA 577 N 1.21 0.63 -0.15 3.87 0.00 -0.61 -2.18 119.26 122.04 1xyb h ALA 577 Ca 0.20 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1xyb h ALA 577 Cb 0.34 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1xyb h ALA 577 CO 0.00 0.56 -0.07 -0.07 0.00 0.00 0.00 179.25 179.67 1xyb h LEU 578 N 0.74 -0.24 -1.03 0.00 4.07 -0.81 -2.39 115.31 115.64 1xyb h LEU 578 Ca 0.11 0.06 0.01 0.00 0.08 0.00 0.00 57.88 58.13 1xyb h LEU 578 Cb 0.71 0.13 -0.05 0.00 1.08 0.00 0.00 40.66 42.54 1xyb h LEU 578 CO 0.05 -0.10 0.62 0.44 -1.08 0.00 0.00 178.44 178.37 1xyb h ASP 579 N -0.06 1.11 0.45 -0.43 3.32 -1.05 -0.58 116.42 119.17 1xyb h ASP 579 Ca 0.08 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 1xyb h ASP 579 Cb 0.18 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1xyb h ASP 579 CO -0.19 0.82 -0.46 0.00 -1.72 0.00 0.00 179.24 177.70 1xyb h ALA 580 N 1.38 1.23 0.00 3.45 0.00 -1.20 -3.29 119.26 120.83 1xyb h ALA 580 Ca 0.35 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xyb h ALA 580 Cb -0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1xyb h ALA 580 CO -0.07 0.58 -1.89 0.25 0.00 0.00 0.00 179.25 178.12 1xyb n THR 581 N -3.99 0.00 -0.97 0.00 -2.24 -0.92 -4.97 114.28 101.18 1xyb n THR 581 Ca -0.02 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1xyb n THR 581 Cb 0.48 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1xyb n THR 581 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xyb n GLY 582 N 1.29 0.47 3.76 3.38 0.00 -0.26 -5.04 105.19 108.80 1xyb n GLY 582 Ca -0.03 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 1xyb n GLY 582 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xyb s MET 583 N -0.74 4.44 0.36 1.61 -1.94 -1.15 -4.99 119.30 116.89 1xyb s MET 583 Ca 0.00 1.80 0.08 0.00 -1.71 0.00 0.00 55.69 55.86 1xyb s MET 583 Cb 0.00 -2.99 -0.03 0.00 2.01 0.00 0.00 34.83 33.82 1xyb s MET 583 CO 0.00 0.03 0.29 0.95 -0.01 0.00 0.00 175.02 176.28 1xyb s THR 584 N -1.28 3.21 -0.50 2.05 -4.23 -0.90 -4.75 115.64 109.24 1xyb s THR 584 Ca 0.49 -1.41 0.04 0.00 -1.18 0.00 0.00 61.69 59.62 1xyb s THR 584 Cb -0.31 -3.10 0.13 0.00 1.34 0.00 0.00 72.50 70.55 1xyb s THR 584 CO 0.40 -0.13 0.24 -0.69 -0.54 0.00 0.00 174.62 173.90 1xyb s VAL 585 N -2.37 2.60 0.04 2.29 1.01 -1.26 -1.31 120.40 121.40 1xyb s VAL 585 Ca 0.42 -3.17 0.15 0.00 0.00 0.00 0.00 61.98 59.38 1xyb s VAL 585 Cb -0.04 -2.82 0.03 0.00 0.00 0.00 0.00 36.38 33.55 1xyb s VAL 585 CO 0.26 -0.77 1.53 -0.65 0.00 0.00 0.00 175.10 175.47 1xyb h PRO 586 N 6.68 0.00 -3.29 2.72 0.11 -1.84 -2.97 132.00 133.41 1xyb h PRO 586 Ca -0.07 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.92 1xyb h PRO 586 Cb 0.91 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 31.83 1xyb h PRO 586 CO 0.67 0.55 -0.34 1.41 -0.21 0.00 0.00 178.00 180.08 1xyb s MET 587 N -3.19 0.65 0.21 1.05 -2.45 -1.26 -1.42 119.30 112.88 1xyb s MET 587 Ca 0.02 -0.37 -0.07 0.00 -1.25 0.00 0.00 55.69 54.01 1xyb s MET 587 Cb 0.10 0.28 -0.02 0.00 1.25 0.00 0.00 34.83 36.43 1xyb s MET 587 CO 0.74 -0.18 0.29 0.00 1.05 0.00 0.00 175.02 176.91 1xyb s ALA 588 N -1.77 0.41 0.30 4.11 0.00 -1.11 -3.69 121.76 120.01 1xyb s ALA 588 Ca -0.11 -1.23 -0.20 0.00 0.00 0.00 0.00 51.96 50.42 1xyb s ALA 588 Cb -0.04 1.15 0.03 0.00 0.00 0.00 0.00 23.12 24.25 1xyb s ALA 588 CO 0.01 -0.70 0.73 -0.08 0.00 0.00 0.00 175.76 175.72 1xyb s THR 589 N -4.07 0.00 0.05 0.00 -1.32 -0.18 -2.00 115.64 108.12 1xyb s THR 589 Ca 0.28 -1.01 0.04 0.00 -1.21 0.00 0.00 61.69 59.79 1xyb s THR 589 Cb 0.03 -2.20 -0.04 0.00 -1.51 0.00 0.00 72.50 68.79 1xyb s THR 589 CO 0.08 0.00 -0.03 -0.89 -2.21 0.00 0.00 174.62 171.57 1xyb s THR 590 N -3.57 3.86 -0.54 5.08 2.01 -1.26 -2.29 115.64 118.93 1xyb s THR 590 Ca 0.12 -0.88 -0.21 0.00 0.31 0.00 0.00 61.69 61.03 1xyb s THR 590 Cb -0.06 -2.76 0.06 0.00 0.01 0.00 0.00 72.50 69.74 1xyb s THR 590 CO 0.08 0.25 0.76 0.21 -0.69 0.00 0.00 174.62 175.24 1xyb s ASN 591 N -1.88 6.26 -0.36 3.53 3.84 -1.26 -4.85 114.94 120.22 1xyb s ASN 591 Ca 0.21 -0.75 0.06 0.00 0.21 0.00 0.00 52.86 52.59 1xyb s ASN 591 Cb -0.11 -2.35 0.46 0.00 -0.55 0.00 0.00 41.25 38.70 1xyb s ASN 591 CO 0.13 -1.06 1.37 0.18 -2.79 0.00 0.00 177.10 174.94 1xyb n LEU 592 N 6.73 5.24 0.00 3.21 4.77 -1.26 -4.74 117.00 130.95 1xyb n LEU 592 Ca -0.04 -4.53 0.00 0.00 -0.03 0.00 0.00 56.01 51.41 1xyb n LEU 592 Cb 0.46 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1xyb n LEU 592 CO 0.58 1.87 -0.02 2.22 -1.33 0.00 0.00 177.39 180.72 1xyb n PHE 593 N -0.81 0.00 -0.03 -1.77 1.16 -1.26 -4.43 117.46 110.31 1xyb n PHE 593 Ca 0.45 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.89 1xyb n PHE 593 Cb 0.90 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.66 1xyb n PHE 593 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 1xyb h THR 594 N 0.00 1.53 -3.82 1.97 2.02 -1.94 -3.46 112.91 109.22 1xyb h THR 594 Ca 0.00 -1.72 -0.52 0.00 0.77 0.00 0.00 66.41 64.94 1xyb h THR 594 Cb 0.03 2.62 0.07 0.00 -1.74 0.00 0.00 68.15 69.13 1xyb h THR 594 CO 0.00 0.46 0.66 -2.28 0.37 0.00 0.00 175.52 174.73 1xyb s HIS 595 N -3.40 3.01 0.58 3.16 2.46 -1.26 -4.89 115.29 114.95 1xyb s HIS 595 Ca -0.16 1.35 0.31 0.00 0.47 0.00 0.00 55.06 57.02 1xyb s HIS 595 Cb 0.01 -3.72 1.37 0.00 -0.13 0.00 0.00 32.58 30.11 1xyb s HIS 595 CO 0.71 -2.03 1.72 -1.35 -2.47 0.00 0.00 174.74 171.32 1xyb h PRO 596 N 3.59 0.00 0.00 2.88 0.11 -2.02 -1.34 132.00 135.21 1xyb h PRO 596 Ca -0.49 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1xyb h PRO 596 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1xyb h PRO 596 CO 0.67 0.00 -0.19 -0.24 -0.21 0.00 0.00 178.00 178.03 1xyb h VAL 597 N 0.00 0.63 -0.33 3.15 3.04 -1.96 -2.14 116.25 118.64 1xyb h VAL 597 Ca 0.38 -0.86 -0.05 0.00 -1.01 0.00 0.00 66.70 65.16 1xyb h VAL 597 Cb 1.92 1.56 -0.03 0.00 -2.01 0.00 0.00 31.29 32.72 1xyb h VAL 597 CO -0.00 0.19 0.07 0.49 -1.01 0.00 0.00 177.57 177.30 1xyb n PHE 598 N -3.58 1.15 0.23 3.17 3.72 -0.50 -4.48 117.46 117.17 1xyb n PHE 598 Ca -0.01 -0.53 0.08 0.00 -0.05 0.00 0.00 57.45 56.94 1xyb n PHE 598 Cb 0.34 -0.37 0.56 0.00 -0.94 0.00 0.00 39.48 39.06 1xyb n PHE 598 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1xyb h LYS 599 N 1.71 0.00 -0.42 -1.08 2.10 -1.55 -1.36 116.57 115.98 1xyb h LYS 599 Ca 0.06 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.61 1xyb h LYS 599 Cb 1.39 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.66 1xyb h LYS 599 CO 0.31 0.20 0.06 -3.47 -2.00 0.00 0.00 179.45 174.55 1xyb n ASP 600 N -3.99 3.84 0.00 7.07 2.03 -1.26 -5.03 116.55 119.20 1xyb n ASP 600 Ca -0.02 -3.26 0.00 0.00 0.52 0.00 0.00 54.79 52.03 1xyb n ASP 600 Cb 0.28 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 1xyb n ASP 600 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xyb n GLY 601 N -0.55 2.63 0.00 0.27 0.00 -0.51 -3.77 105.19 103.26 1xyb n GLY 601 Ca 0.30 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1xyb n GLY 601 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xyb n GLY 602 N -0.23 -0.30 0.25 -0.02 0.00 -1.26 -4.29 105.19 99.34 1xyb n GLY 602 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1xyb n GLY 602 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1xyb h PHE 603 N 0.00 0.00 0.00 1.61 0.04 -1.90 -3.13 116.94 113.56 1xyb h PHE 603 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1xyb h PHE 603 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1xyb h PHE 603 CO 0.00 0.15 -0.32 0.25 -0.60 0.00 0.00 178.31 177.79 1xyb n THR 604 N -3.42 2.01 -1.76 -1.55 -2.24 -1.26 -4.51 114.28 101.56 1xyb n THR 604 Ca -0.01 -2.78 -0.40 0.00 -2.27 0.00 0.00 64.05 58.59 1xyb n THR 604 Cb 0.33 -0.21 0.02 0.00 -2.10 0.00 0.00 70.33 68.38 1xyb n THR 604 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xyb n ALA 605 N -1.20 1.94 0.20 6.98 0.00 -1.18 -4.83 120.51 122.42 1xyb n ALA 605 Ca 0.17 0.23 0.04 0.00 0.00 0.00 0.00 53.44 53.89 1xyb n ALA 605 Cb 0.68 -2.38 0.47 0.00 0.00 0.00 0.00 19.45 18.21 1xyb n ALA 605 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1xyb h ASN 606 N 2.16 0.03 -3.03 0.00 2.35 -1.93 -3.42 115.58 111.74 1xyb h ASN 606 Ca -0.51 -0.01 -0.57 0.00 -0.55 0.00 0.00 56.30 54.67 1xyb h ASN 606 Cb 1.28 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 39.59 1xyb h ASN 606 CO 0.60 0.24 0.90 -1.81 -1.65 0.00 0.00 177.43 175.71 1xyb s ASP 607 N -6.98 6.90 0.24 5.81 1.01 -1.26 -4.96 116.67 117.44 1xyb s ASP 607 Ca -0.04 1.46 -0.07 0.00 0.71 0.00 0.00 52.55 54.61 1xyb s ASP 607 Cb 0.15 -2.54 0.25 0.00 1.01 0.00 0.00 42.92 41.80 1xyb s ASP 607 CO 0.71 -0.83 1.91 -0.09 0.21 0.00 0.00 175.17 177.07 1xyb h ARG 608 N 8.32 1.20 -0.13 8.23 2.43 -2.00 -2.75 114.38 129.68 1xyb h ARG 608 Ca -0.24 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 58.82 1xyb h ARG 608 Cb 1.09 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 1xyb h ARG 608 CO 0.99 0.79 -0.09 0.38 -1.51 0.00 0.00 179.97 180.54 1xyb h ASP 609 N 1.24 0.18 -0.30 -3.80 3.04 -1.96 -2.09 116.42 112.72 1xyb h ASP 609 Ca 0.35 -0.03 -0.18 0.00 -3.24 0.00 0.00 57.03 53.94 1xyb h ASP 609 Cb -0.10 -0.05 -0.00 0.00 -1.04 0.00 0.00 39.33 38.14 1xyb h ASP 609 CO -0.09 0.30 -0.50 0.58 -2.04 0.00 0.00 179.24 177.49 1xyb h VAL 610 N 0.19 1.27 -0.28 4.15 2.07 -1.88 -1.42 116.25 120.35 1xyb h VAL 610 Ca 0.04 -1.68 -0.04 0.00 0.82 0.00 0.00 66.70 65.85 1xyb h VAL 610 Cb 0.28 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1xyb h VAL 610 CO 0.01 0.55 0.02 0.03 0.02 0.00 0.00 177.57 178.20 1xyb h ARG 611 N 0.69 0.41 -0.23 1.57 3.08 -1.12 0.25 114.38 119.03 1xyb h ARG 611 Ca 0.03 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 1xyb h ARG 611 Cb 1.10 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.08 1xyb h ARG 611 CO 0.11 0.43 -0.44 0.00 -1.07 0.00 0.00 179.97 179.00 1xyb h ARG 612 N 0.40 0.71 -0.95 0.04 3.08 -1.18 -2.43 114.38 114.05 1xyb h ARG 612 Ca 0.09 -0.45 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 1xyb h ARG 612 Cb 0.25 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 1xyb h ARG 612 CO 0.00 1.07 0.57 -0.92 -1.07 0.00 0.00 179.97 179.63 1xyb h TYR 613 N 0.43 1.25 -0.66 3.04 3.20 -0.93 -1.55 116.97 121.75 1xyb h TYR 613 Ca 0.01 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1xyb h TYR 613 Cb 1.04 -0.41 -0.03 0.00 1.54 0.00 0.00 36.73 38.87 1xyb h TYR 613 CO 0.08 0.83 0.40 0.00 -1.64 0.00 0.00 178.16 177.83 1xyb h ALA 614 N 1.32 0.85 -0.48 1.82 0.00 -0.85 -0.93 119.26 120.99 1xyb h ALA 614 Ca 0.34 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1xyb h ALA 614 Cb -0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1xyb h ALA 614 CO -0.06 0.33 0.02 -0.07 0.00 0.00 0.00 179.25 179.46 1xyb h LEU 615 N 0.90 0.81 -0.46 0.00 3.38 -0.97 -1.84 115.31 117.13 1xyb h LEU 615 Ca 0.24 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1xyb h LEU 615 Cb -0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1xyb h LEU 615 CO -0.04 0.91 0.10 0.03 0.09 0.00 0.00 178.44 179.53 1xyb h ARG 616 N 0.69 0.75 -0.40 1.13 2.47 -1.03 -0.93 114.38 117.06 1xyb h ARG 616 Ca 0.14 -0.19 0.03 0.00 -1.26 0.00 0.00 59.98 58.70 1xyb h ARG 616 Cb 0.48 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.68 1xyb h ARG 616 CO 0.02 0.75 0.21 -0.22 0.56 0.00 0.00 179.97 181.29 1xyb h LYS 617 N 0.63 0.41 -0.16 0.04 3.64 -1.18 -2.10 116.57 117.85 1xyb h LYS 617 Ca 0.14 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1xyb h LYS 617 Cb 0.35 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1xyb h LYS 617 CO 0.00 0.27 0.09 1.15 -2.27 0.00 0.00 179.45 178.70 1xyb h THR 618 N 0.43 1.10 -0.76 1.00 2.02 -1.11 -2.98 112.91 112.60 1xyb h THR 618 Ca 0.17 -0.26 0.01 0.00 0.77 0.00 0.00 66.41 67.10 1xyb h THR 618 Cb 0.06 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 1xyb h THR 618 CO -0.11 0.09 0.50 0.40 0.37 0.00 0.00 175.52 176.77 1xyb h ILE 619 N 0.17 1.18 -0.83 3.11 2.04 -1.05 -0.52 117.51 121.60 1xyb h ILE 619 Ca 0.06 -0.35 0.05 0.00 1.00 0.00 0.00 64.86 65.62 1xyb h ILE 619 Cb 0.06 0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 36.17 1xyb h ILE 619 CO -0.01 0.19 0.55 -0.09 0.00 0.00 0.00 178.15 178.78 1xyb h ARG 620 N 1.02 0.93 0.00 2.37 2.43 -1.38 -2.06 114.38 117.69 1xyb h ARG 620 Ca 0.29 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.30 1xyb h ARG 620 Cb -0.09 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.23 1xyb h ARG 620 CO -0.07 0.62 -0.66 -0.97 -1.51 0.00 0.00 179.97 177.37 1xyb h ASN 621 N 0.96 0.00 -0.64 -3.80 -1.24 -1.15 -3.02 115.58 106.69 1xyb h ASN 621 Ca 0.35 0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.37 1xyb h ASN 621 Cb 0.16 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.17 1xyb h ASN 621 CO -0.12 0.42 0.42 0.40 -1.29 0.00 0.00 177.43 177.26 1xyb h ILE 622 N 0.00 1.14 -0.77 2.57 2.04 -0.45 0.08 117.51 122.12 1xyb h ILE 622 Ca -0.04 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1xyb h ILE 622 Cb 1.35 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 1xyb h ILE 622 CO 0.05 0.15 0.49 0.44 0.00 0.00 0.00 178.15 179.28 1xyb h ASP 623 N 0.84 0.90 -0.31 1.72 3.32 -1.42 -1.32 116.42 120.15 1xyb h ASP 623 Ca 0.24 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.16 1xyb h ASP 623 Cb -0.06 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 1xyb h ASP 623 CO -0.07 0.68 -0.13 0.25 -1.72 0.00 0.00 179.24 178.25 1xyb h LEU 624 N 1.05 0.66 -0.35 1.55 5.85 -1.37 -2.53 115.31 120.16 1xyb h LEU 624 Ca 0.28 -0.39 0.06 0.00 0.84 0.00 0.00 57.88 58.66 1xyb h LEU 624 Cb -0.08 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 1xyb h LEU 624 CO -0.06 0.90 0.01 0.00 -0.34 0.00 0.00 178.44 178.96 1xyb h ALA 625 N 0.77 0.33 -0.51 1.25 0.00 -0.53 -1.89 119.26 118.68 1xyb h ALA 625 Ca 0.07 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1xyb h ALA 625 Cb 0.64 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1xyb h ALA 625 CO 0.04 -0.39 0.30 0.28 0.00 0.00 0.00 179.25 179.49 1xyb h VAL 626 N 0.12 1.05 -0.74 0.00 2.07 -1.26 0.05 116.25 117.54 1xyb h VAL 626 Ca 0.17 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.54 1xyb h VAL 626 Cb 0.23 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 1xyb h VAL 626 CO -0.27 0.11 0.48 -0.33 0.02 0.00 0.00 177.57 177.58 1xyb h GLU 627 N 0.61 0.78 -0.00 1.57 5.08 -0.97 -1.20 114.58 120.45 1xyb h GLU 627 Ca 0.21 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1xyb h GLU 627 Cb 0.03 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1xyb h GLU 627 CO -0.10 0.52 -0.08 1.28 -1.00 0.00 0.00 179.01 179.63 1xyb n LEU 628 N -4.47 0.30 0.00 1.33 7.99 -0.76 -4.94 117.00 116.45 1xyb n LEU 628 Ca 0.10 0.10 0.00 0.00 -0.01 0.00 0.00 56.01 56.21 1xyb n LEU 628 Cb 0.20 -0.22 0.00 0.00 -0.11 0.00 0.00 43.42 43.29 1xyb n LEU 628 CO 0.34 0.06 0.00 0.61 -1.51 0.00 0.00 177.39 176.88 1xyb n GLY 629 N 1.28 0.92 3.75 -0.72 0.00 -0.45 -4.45 105.19 105.52 1xyb n GLY 629 Ca 0.14 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1xyb n GLY 629 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyb s ALA 630 N -2.00 3.44 -0.29 4.61 0.00 -0.08 -4.71 121.76 122.73 1xyb s ALA 630 Ca 0.00 0.99 0.17 0.00 0.00 0.00 0.00 51.96 53.12 1xyb s ALA 630 Cb 0.00 -3.40 -0.24 0.00 0.00 0.00 0.00 23.12 19.48 1xyb s ALA 630 CO 0.00 -0.35 0.50 1.63 0.00 0.00 0.00 175.76 177.54 1xyb n LYS 631 N 1.81 0.82 -4.91 0.00 4.01 -0.51 -4.49 118.16 114.88 1xyb n LYS 631 Ca 0.02 -0.11 -0.26 0.00 -0.51 0.00 0.00 58.31 57.45 1xyb n LYS 631 Cb 0.44 -1.38 -0.15 0.00 -0.51 0.00 0.00 35.03 33.43 1xyb n LYS 631 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1xyb s THR 632 N -3.01 1.52 -0.20 -0.18 2.01 -1.06 -1.79 115.64 112.91 1xyb s THR 632 Ca -0.02 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.15 1xyb s THR 632 Cb 0.12 -1.26 0.05 0.00 0.01 0.00 0.00 72.50 71.41 1xyb s THR 632 CO 0.72 0.41 -0.09 -0.47 -0.69 0.00 0.00 174.62 174.51 1xyb s TYR 633 N -0.47 2.38 0.17 4.92 5.04 0.34 -2.75 117.35 126.98 1xyb s TYR 633 Ca 0.07 -1.60 -0.17 0.00 -2.44 0.00 0.00 57.07 52.92 1xyb s TYR 633 Cb -0.07 -1.61 -0.07 0.00 0.35 0.00 0.00 41.96 40.55 1xyb s TYR 633 CO -0.01 -0.74 0.63 0.08 -1.34 0.00 0.00 175.55 174.17 1xyb s VAL 634 N 1.41 4.71 -0.18 3.14 1.01 -0.85 -1.15 120.40 128.48 1xyb s VAL 634 Ca -0.02 1.09 -0.01 0.00 0.00 0.00 0.00 61.98 63.04 1xyb s VAL 634 Cb -0.17 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.44 1xyb s VAL 634 CO -0.08 0.28 -0.03 0.00 0.00 0.00 0.00 175.10 175.27 1xyb s ALA 635 N -1.43 1.46 -0.39 5.51 0.00 -0.50 -4.24 121.76 122.16 1xyb s ALA 635 Ca 0.39 -0.89 -0.08 0.00 0.00 0.00 0.00 51.96 51.38 1xyb s ALA 635 Cb -0.16 -1.18 0.06 0.00 0.00 0.00 0.00 23.12 21.84 1xyb s ALA 635 CO 0.20 -0.93 0.21 -0.46 0.00 0.00 0.00 175.76 174.78 1xyb s TRP 636 N 1.64 3.32 -1.51 0.00 -0.00 -1.26 -0.95 118.94 120.18 1xyb s TRP 636 Ca -0.01 -1.49 -0.10 0.00 -0.00 0.00 0.00 56.10 54.50 1xyb s TRP 636 Cb -0.16 -2.74 -0.01 0.00 -0.00 0.00 0.00 33.47 30.56 1xyb s TRP 636 CO -0.07 -0.80 2.65 0.41 -0.00 0.00 0.00 176.95 179.13 1xyb n GLY 637 N 4.88 4.52 0.29 5.86 0.00 -1.26 -4.76 105.19 114.72 1xyb n GLY 637 Ca -0.10 -1.67 0.17 0.00 0.00 0.00 0.00 46.02 44.41 1xyb n GLY 637 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xyb h GLY 638 N 7.26 0.00 -1.77 -0.02 0.00 -1.92 -2.27 103.07 104.35 1xyb h GLY 638 Ca 0.76 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.09 1xyb h GLY 638 CO 1.73 0.00 0.00 0.54 0.00 0.00 0.00 176.54 178.81 1xyb n ARG 639 N -3.39 2.25 -2.84 4.80 5.12 -1.26 -3.98 116.66 117.36 1xyb n ARG 639 Ca -0.02 -1.84 -0.43 0.00 -1.93 0.00 0.00 57.85 53.63 1xyb n ARG 639 Cb 0.19 -1.47 -0.04 0.00 -1.16 0.00 0.00 32.46 29.97 1xyb n ARG 639 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1xyb s GLU 640 N -1.87 3.43 0.00 5.56 0.41 -0.85 -2.83 118.70 122.55 1xyb s GLU 640 Ca 0.32 -0.04 0.00 0.00 -0.41 0.00 0.00 54.97 54.84 1xyb s GLU 640 Cb 0.21 -3.98 0.00 0.00 -1.78 0.00 0.00 34.13 28.58 1xyb s GLU 640 CO 0.31 -1.31 0.00 0.41 -0.49 0.00 0.00 175.26 174.17 1xyb n GLY 641 N 5.01 -0.48 3.49 -1.39 0.00 -1.26 -1.09 105.19 109.47 1xyb n GLY 641 Ca 0.04 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.12 1xyb n GLY 641 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyb s ALA 642 N -1.00 -1.77 -0.19 4.61 0.00 -1.01 -4.87 121.76 117.53 1xyb s ALA 642 Ca 0.00 0.91 0.14 0.00 0.00 0.00 0.00 51.96 53.01 1xyb s ALA 642 Cb 0.00 0.49 -0.20 0.00 0.00 0.00 0.00 23.12 23.42 1xyb s ALA 642 CO 0.00 -0.69 0.38 0.39 0.00 0.00 0.00 175.76 175.83 1xyb n GLU 643 N -0.24 1.00 -4.15 0.00 4.71 -1.26 -2.01 120.64 118.69 1xyb n GLU 643 Ca -0.11 -0.09 -0.14 0.00 -0.01 0.00 0.00 57.16 56.81 1xyb n GLU 643 Cb 0.62 -1.28 -0.11 0.00 -1.01 0.00 0.00 31.44 29.67 1xyb n GLU 643 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1xyb s SER 644 N -3.24 1.29 0.15 1.62 1.04 -1.26 -4.94 113.70 108.36 1xyb s SER 644 Ca -0.02 -0.75 -0.13 0.00 0.48 0.00 0.00 55.95 55.53 1xyb s SER 644 Cb 0.09 0.02 0.04 0.00 0.10 0.00 0.00 66.02 66.27 1xyb s SER 644 CO 0.57 -0.25 1.67 1.23 0.98 0.00 0.00 173.24 177.44 1xyb h GLY 645 N 3.81 0.88 0.36 7.32 0.00 -1.95 -3.14 103.07 110.34 1xyb h GLY 645 Ca -0.37 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.42 1xyb h GLY 645 CO 0.50 0.50 -0.08 0.00 0.00 0.00 0.00 176.54 177.45 1xyb n ALA 646 N -2.38 2.74 0.21 3.60 0.00 -1.26 -4.07 120.51 119.35 1xyb n ALA 646 Ca 0.02 -0.34 0.09 0.00 0.00 0.00 0.00 53.44 53.21 1xyb n ALA 646 Cb 0.21 -1.28 0.40 0.00 0.00 0.00 0.00 19.45 18.79 1xyb n ALA 646 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xyb h ALA 647 N 3.93 0.98 -3.30 0.00 0.00 -1.98 -3.42 119.26 115.46 1xyb h ALA 647 Ca 0.00 -0.22 -0.35 0.00 0.00 0.00 0.00 54.91 54.34 1xyb h ALA 647 Cb 0.37 -0.04 -0.38 0.00 0.00 0.00 0.00 17.79 17.74 1xyb h ALA 647 CO 0.00 0.30 -0.73 0.21 0.00 0.00 0.00 179.25 179.04 1xyb s LYS 648 N -3.55 -0.06 -0.36 0.00 2.47 -1.26 -4.98 119.74 112.00 1xyb s LYS 648 Ca 0.01 0.39 -0.28 0.00 -1.56 0.00 0.00 55.97 54.53 1xyb s LYS 648 Cb 0.10 -0.46 0.02 0.00 -1.46 0.00 0.00 37.83 36.02 1xyb s LYS 648 CO 0.65 -0.31 1.03 0.34 0.16 0.00 0.00 175.35 177.21 1xyb s ASP 649 N 2.10 6.79 0.28 1.43 -1.08 -1.26 -4.95 116.67 119.98 1xyb s ASP 649 Ca 0.04 0.79 0.13 0.00 -0.52 0.00 0.00 52.55 52.99 1xyb s ASP 649 Cb -0.12 -2.51 0.34 0.00 -1.46 0.00 0.00 42.92 39.16 1xyb s ASP 649 CO -0.03 -0.92 1.58 0.58 0.52 0.00 0.00 175.17 176.89 1xyb h VAL 650 N 5.83 1.25 -0.63 1.11 2.07 -1.99 -1.29 116.25 122.60 1xyb h VAL 650 Ca -0.22 -2.15 -0.08 0.00 0.82 0.00 0.00 66.70 65.06 1xyb h VAL 650 Cb 1.07 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 1xyb h VAL 650 CO 1.03 0.58 0.07 0.03 0.02 0.00 0.00 177.57 179.29 1xyb h ARG 651 N 0.00 1.07 -0.14 1.57 3.08 -1.99 -1.52 114.38 116.44 1xyb h ARG 651 Ca -0.01 -0.30 -0.19 0.00 0.07 0.00 0.00 59.98 59.55 1xyb h ARG 651 Cb 1.17 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1xyb h ARG 651 CO 0.08 1.00 -0.70 0.28 -1.07 0.00 0.00 179.97 179.56 1xyb h VAL 652 N 0.99 1.32 -0.55 2.04 2.07 -1.95 -2.51 116.25 117.67 1xyb h VAL 652 Ca 0.19 -1.98 -0.04 0.00 0.82 0.00 0.00 66.70 65.69 1xyb h VAL 652 Cb 0.47 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 1xyb h VAL 652 CO 0.02 0.61 0.18 0.00 0.02 0.00 0.00 177.57 178.40 1xyb h ALA 653 N 0.79 1.29 -0.05 1.67 0.00 -1.08 -0.97 119.26 120.92 1xyb h ALA 653 Ca -0.03 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1xyb h ALA 653 Cb 1.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1xyb h ALA 653 CO 0.13 0.51 -0.55 -0.07 0.00 0.00 0.00 179.25 179.27 1xyb h LEU 654 N 0.79 0.15 -0.33 0.00 3.38 -1.20 0.20 115.31 118.30 1xyb h LEU 654 Ca 0.18 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1xyb h LEU 654 Cb 0.22 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1xyb h LEU 654 CO -0.01 0.67 0.14 0.44 0.09 0.00 0.00 178.44 179.77 1xyb h ASP 655 N 0.11 0.45 0.07 -0.43 3.32 -0.92 0.39 116.42 119.41 1xyb h ASP 655 Ca -0.00 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.85 1xyb h ASP 655 Cb 1.00 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 1xyb h ASP 655 CO 0.08 0.48 -0.15 0.03 -1.72 0.00 0.00 179.24 177.96 1xyb h ARG 656 N 0.39 0.18 -0.07 3.56 2.47 -0.86 0.13 114.38 120.19 1xyb h ARG 656 Ca 0.11 -0.04 -0.22 0.00 -1.26 0.00 0.00 59.98 58.57 1xyb h ARG 656 Cb 0.16 -0.02 0.01 0.00 -1.65 0.00 0.00 29.97 28.47 1xyb h ARG 656 CO -0.01 0.34 -0.83 1.98 0.56 0.00 0.00 179.97 182.01 1xyb h MET 657 N 0.17 0.68 -0.22 0.04 4.05 -0.30 -1.97 114.93 117.39 1xyb h MET 657 Ca 0.03 -0.64 -0.01 0.00 -0.28 0.00 0.00 59.70 58.80 1xyb h MET 657 Cb 0.38 0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.33 1xyb h MET 657 CO 0.02 1.24 0.10 -0.22 0.23 0.00 0.00 176.91 178.29 1xyb h LYS 658 N 0.35 0.32 -0.77 0.39 3.64 -0.78 -2.42 116.57 117.31 1xyb h LYS 658 Ca -0.08 -0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.38 1xyb h LYS 658 Cb 1.48 -0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 33.16 1xyb h LYS 658 CO 0.17 0.35 0.35 1.49 -2.27 0.00 0.00 179.45 179.53 1xyb h GLU 659 N 0.21 0.51 -0.44 1.90 4.81 -0.94 -0.14 114.58 120.50 1xyb h GLU 659 Ca 0.07 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 1xyb h GLU 659 Cb 0.14 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1xyb h GLU 659 CO -0.01 0.34 -0.12 0.00 -0.73 0.00 0.00 179.01 178.49 1xyb h ALA 660 N 1.52 0.61 -0.06 2.92 0.00 -1.07 -1.76 119.26 121.42 1xyb h ALA 660 Ca 0.41 -0.34 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 1xyb h ALA 660 Cb 0.57 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1xyb h ALA 660 CO -0.36 0.51 -0.75 0.74 0.00 0.00 0.00 179.25 179.39 1xyb h PHE 661 N 0.70 0.50 -0.42 0.00 0.04 -1.01 -1.86 116.94 114.90 1xyb h PHE 661 Ca 0.11 -0.23 -0.01 0.00 2.80 0.00 0.00 57.97 60.64 1xyb h PHE 661 Cb 0.66 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.71 1xyb h PHE 661 CO 0.05 0.99 0.21 -0.44 -0.60 0.00 0.00 178.31 178.52 1xyb h ASP 662 N 0.24 0.54 -0.72 2.17 3.32 -0.94 -0.68 116.42 120.35 1xyb h ASP 662 Ca -0.03 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 1xyb h ASP 662 Cb 1.33 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.71 1xyb h ASP 662 CO 0.13 0.50 0.27 -0.07 -1.72 0.00 0.00 179.24 178.35 1xyb h LEU 663 N 0.54 1.03 -0.98 1.55 3.38 -1.24 0.11 115.31 119.70 1xyb h LEU 663 Ca 0.15 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1xyb h LEU 663 Cb 0.09 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1xyb h LEU 663 CO -0.02 0.92 -0.04 -0.07 0.09 0.00 0.00 178.44 179.32 1xyb h LEU 664 N 1.08 0.67 -0.48 1.67 3.38 -1.09 -1.21 115.31 119.32 1xyb h LEU 664 Ca 0.24 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 1xyb h LEU 664 Cb 0.23 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1xyb h LEU 664 CO -0.02 0.76 -0.37 1.23 0.09 0.00 0.00 178.44 180.13 1xyb h GLY 665 N 0.95 0.92 0.98 0.83 0.00 -0.57 -2.03 103.07 104.14 1xyb h GLY 665 Ca 0.12 -0.92 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 1xyb h GLY 665 CO 0.02 0.83 0.26 -2.09 0.00 0.00 0.00 176.54 175.57 1xyb h GLU 666 N 0.69 0.69 -0.08 4.80 4.81 -0.85 -2.16 114.58 122.49 1xyb h GLU 666 Ca 0.06 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1xyb h GLU 666 Cb 0.94 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.19 1xyb h GLU 666 CO 0.09 0.55 0.03 -0.92 -0.73 0.00 0.00 179.01 178.04 1xyb h TYR 667 N 0.65 0.12 0.00 0.92 3.20 -1.01 -1.12 116.97 119.73 1xyb h TYR 667 Ca 0.17 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.92 1xyb h TYR 667 Cb 0.07 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 1xyb h TYR 667 CO -0.01 0.23 -0.56 -0.39 -1.64 0.00 0.00 178.16 175.78 1xyb h VAL 668 N -0.03 1.34 -0.33 1.81 -1.51 -1.35 -2.08 116.25 114.10 1xyb h VAL 668 Ca 0.03 -1.97 -0.06 0.00 -1.23 0.00 0.00 66.70 63.47 1xyb h VAL 668 Cb 0.16 2.08 -0.01 0.00 -2.13 0.00 0.00 31.29 31.39 1xyb h VAL 668 CO -0.00 0.55 -0.03 0.74 -1.23 0.00 0.00 177.57 177.60 1xyb h THR 669 N 0.00 1.27 -0.55 7.19 2.02 -1.26 -0.86 112.91 120.72 1xyb h THR 669 Ca -0.01 -1.02 -0.06 0.00 0.77 0.00 0.00 66.41 66.10 1xyb h THR 669 Cb 1.04 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 1xyb h THR 669 CO 0.07 0.33 0.10 0.77 0.37 0.00 0.00 175.52 177.17 1xyb h SER 670 N 0.39 0.82 0.87 4.18 4.64 -0.95 -0.42 113.55 123.07 1xyb h SER 670 Ca 0.09 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1xyb h SER 670 Cb 0.49 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1xyb h SER 670 CO 0.02 0.82 0.00 0.00 -0.87 0.00 0.00 176.83 176.81 1xyb n GLN 671 N -4.25 0.12 -2.70 4.77 1.13 -0.80 -4.91 117.38 110.74 1xyb n GLN 671 Ca 0.04 0.25 -0.17 0.00 -1.94 0.00 0.00 57.00 55.18 1xyb n GLN 671 Cb 0.25 -1.68 0.02 0.00 0.11 0.00 0.00 30.24 28.94 1xyb n GLN 671 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xyb n GLY 672 N 0.56 -0.27 3.75 1.08 0.00 -0.17 -4.99 105.19 105.15 1xyb n GLY 672 Ca 0.04 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1xyb n GLY 672 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xyb s TYR 673 N -2.98 3.86 -0.86 1.61 2.02 -0.43 -5.00 117.35 115.57 1xyb s TYR 673 Ca 0.17 1.84 -0.13 0.00 -0.37 0.00 0.00 57.07 58.58 1xyb s TYR 673 Cb -0.07 -3.07 0.23 0.00 -0.40 0.00 0.00 41.96 38.64 1xyb s TYR 673 CO 0.21 0.15 0.81 0.34 -1.57 0.00 0.00 175.55 175.49 1xyb s ASP 674 N -0.91 6.78 -0.13 2.29 2.15 -1.26 -4.79 116.67 120.80 1xyb s ASP 674 Ca 0.43 -2.86 -0.14 0.00 0.43 0.00 0.00 52.55 50.41 1xyb s ASP 674 Cb -0.27 -2.19 0.04 0.00 -0.30 0.00 0.00 42.92 40.19 1xyb s ASP 674 CO 0.34 -0.51 0.39 0.28 -0.17 0.00 0.00 175.17 175.49 1xyb s THR 675 N -0.09 0.01 0.26 1.71 -1.32 -1.26 -4.71 115.64 110.22 1xyb s THR 675 Ca 0.20 -0.05 0.09 0.00 -1.21 0.00 0.00 61.69 60.72 1xyb s THR 675 Cb -0.10 -0.56 -0.05 0.00 -1.51 0.00 0.00 72.50 70.27 1xyb s THR 675 CO -0.09 -0.03 -0.15 0.00 -2.21 0.00 0.00 174.62 172.15 1xyb s ARG 676 N 0.02 1.54 -0.02 7.08 1.70 -0.74 -5.00 118.95 123.53 1xyb s ARG 676 Ca -0.02 -1.72 -0.04 0.00 -0.47 0.00 0.00 55.73 53.48 1xyb s ARG 676 Cb -0.03 -1.43 -0.04 0.00 -0.57 0.00 0.00 34.95 32.88 1xyb s ARG 676 CO 0.01 0.22 0.19 -0.06 -1.08 0.00 0.00 175.30 174.58 1xyb s PHE 677 N -2.77 3.56 -0.11 5.89 0.08 -0.15 -0.50 117.98 123.98 1xyb s PHE 677 Ca 0.27 0.43 -0.01 0.00 0.12 0.00 0.00 56.93 57.74 1xyb s PHE 677 Cb -0.01 -1.88 0.03 0.00 -0.57 0.00 0.00 43.02 40.59 1xyb s PHE 677 CO 0.12 0.65 -0.05 0.00 -0.10 0.00 0.00 175.22 175.84 1xyb s ALA 678 N -1.27 1.16 0.02 5.36 0.00 -0.30 -0.81 121.76 125.92 1xyb s ALA 678 Ca 0.25 -0.46 -0.30 0.00 0.00 0.00 0.00 51.96 51.45 1xyb s ALA 678 Cb -0.13 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 1xyb s ALA 678 CO 0.16 -0.49 1.00 0.42 0.00 0.00 0.00 175.76 176.85 1xyb s ILE 679 N 1.78 4.73 -0.46 0.00 1.01 -0.24 -1.41 121.20 126.62 1xyb s ILE 679 Ca 0.04 2.00 -0.12 0.00 0.00 0.00 0.00 60.65 62.58 1xyb s ILE 679 Cb -0.13 -4.28 0.09 0.00 0.01 0.00 0.00 42.46 38.14 1xyb s ILE 679 CO -0.07 0.18 0.35 -0.70 0.00 0.00 0.00 174.94 174.69 1xyb s GLU 680 N 0.85 2.77 0.52 2.79 2.12 -0.13 -0.78 118.70 126.84 1xyb s GLU 680 Ca 0.52 -1.48 -0.19 0.00 0.36 0.00 0.00 54.97 54.17 1xyb s GLU 680 Cb -0.22 -3.98 -0.07 0.00 0.26 0.00 0.00 34.13 30.11 1xyb s GLU 680 CO 0.28 -1.05 1.06 -1.25 -0.54 0.00 0.00 175.26 173.77 1xyb s PRO 681 N 1.52 3.62 -0.25 4.30 0.05 -1.26 -4.39 135.00 138.58 1xyb s PRO 681 Ca 0.04 1.39 -0.17 0.00 0.05 0.00 0.00 61.00 62.31 1xyb s PRO 681 Cb -0.25 -2.06 0.07 0.00 0.05 0.00 0.00 34.50 32.31 1xyb s PRO 681 CO 0.04 -0.59 0.64 0.21 0.05 0.00 0.00 177.00 177.35 1xyb s LYS 682 N -3.39 0.68 0.18 4.56 2.20 -1.19 -4.70 119.74 118.08 1xyb s LYS 682 Ca 0.68 1.08 -0.02 0.00 -0.36 0.00 0.00 55.97 57.35 1xyb s LYS 682 Cb -0.18 0.18 0.06 0.00 -1.51 0.00 0.00 37.83 36.38 1xyb s LYS 682 CO 0.24 -0.14 1.44 -1.00 -0.36 0.00 0.00 175.35 175.53 1xyb h PRO 683 N 6.51 0.42 -2.81 4.03 0.13 -1.62 -3.39 132.00 135.26 1xyb h PRO 683 Ca -0.31 -0.34 0.08 0.00 -0.87 0.00 0.00 66.00 64.57 1xyb h PRO 683 Cb 1.21 0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 1xyb h PRO 683 CO 0.16 0.97 0.33 0.54 -0.23 0.00 0.00 178.00 179.78 1xyb s ASN 684 N -6.97 -0.15 0.02 1.44 4.22 -1.26 -1.26 114.94 110.97 1xyb s ASN 684 Ca -0.06 -0.71 0.00 0.00 -2.14 0.00 0.00 52.86 49.96 1xyb s ASN 684 Cb 0.10 0.69 0.00 0.00 1.28 0.00 0.00 41.25 43.32 1xyb s ASN 684 CO 0.84 -1.30 0.00 1.21 -2.04 0.00 0.00 177.10 175.81 1xyb n GLU 685 N -0.50 -2.66 0.00 3.55 2.13 -1.26 -4.82 120.64 117.07 1xyb n GLU 685 Ca -0.05 2.18 0.14 0.00 0.66 0.00 0.00 57.16 60.08 1xyb n GLU 685 Cb 0.60 -2.63 0.60 0.00 0.27 0.00 0.00 31.44 30.27 1xyb n GLU 685 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1xyb n PRO 686 N 0.93 0.79 -3.40 5.31 -0.04 -1.26 -5.01 135.00 132.33 1xyb n PRO 686 Ca 0.00 -0.30 -0.25 0.00 -0.04 0.00 0.00 63.50 62.91 1xyb n PRO 686 Cb 0.00 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 31.95 1xyb n PRO 686 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1xyb s ARG 687 N -2.41 3.52 0.24 0.54 1.81 -1.26 -4.98 118.95 116.41 1xyb s ARG 687 Ca 0.30 -0.26 -0.04 0.00 -1.72 0.00 0.00 55.73 54.00 1xyb s ARG 687 Cb 0.20 -2.68 0.39 0.00 -0.45 0.00 0.00 34.95 32.41 1xyb s ARG 687 CO 0.46 0.19 1.81 0.78 -0.68 0.00 0.00 175.30 177.86 1xyb h GLY 688 N 1.08 1.27 -6.15 -3.53 0.00 -1.87 -3.40 103.07 90.47 1xyb h GLY 688 Ca -0.49 -0.31 -0.26 0.00 0.00 0.00 0.00 47.33 46.27 1xyb h GLY 688 CO 0.63 0.13 -0.66 0.99 0.00 0.00 0.00 176.54 177.63 1xyb s ASP 689 N -5.61 -0.03 -0.01 0.19 1.01 -0.85 -4.66 116.67 106.70 1xyb s ASP 689 Ca -0.12 0.15 -0.01 0.00 0.71 0.00 0.00 52.55 53.27 1xyb s ASP 689 Cb 0.19 0.07 -0.04 0.00 1.01 0.00 0.00 42.92 44.15 1xyb s ASP 689 CO 0.78 -0.11 0.11 -0.63 0.21 0.00 0.00 175.17 175.53 1xyb s ILE 690 N 0.82 4.92 0.40 0.77 1.01 -0.39 -2.41 121.20 126.32 1xyb s ILE 690 Ca -0.07 -0.32 -0.25 0.00 0.00 0.00 0.00 60.65 60.02 1xyb s ILE 690 Cb -0.09 -3.25 -0.09 0.00 0.01 0.00 0.00 42.46 39.04 1xyb s ILE 690 CO -0.03 0.36 1.13 -0.76 0.00 0.00 0.00 174.94 175.64 1xyb s LEU 691 N -1.73 4.19 -0.91 2.97 1.43 -0.25 -3.70 118.68 120.68 1xyb s LEU 691 Ca 0.23 2.26 -0.04 0.00 -1.03 0.00 0.00 54.13 55.55 1xyb s LEU 691 Cb -0.12 -4.05 -0.03 0.00 0.03 0.00 0.00 46.19 42.01 1xyb s LEU 691 CO 0.14 -0.61 0.81 0.18 0.23 0.00 0.00 176.35 177.10 1xyb n LEU 692 N 0.07 -5.97 0.25 1.79 4.77 -1.26 -4.81 117.00 111.83 1xyb n LEU 692 Ca 0.04 -0.44 0.15 0.00 -0.03 0.00 0.00 56.01 55.73 1xyb n LEU 692 Cb 0.47 -3.20 0.47 0.00 -2.33 0.00 0.00 43.42 38.83 1xyb n LEU 692 CO 0.49 -0.42 0.91 1.55 -1.33 0.00 0.00 177.39 178.59 1xyb h PRO 693 N -0.42 0.00 -4.77 3.23 0.13 -1.76 -3.34 132.00 125.08 1xyb h PRO 693 Ca -0.34 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.48 1xyb h PRO 693 Cb 1.18 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 1xyb h PRO 693 CO 0.38 0.00 -0.61 0.95 -0.23 0.00 0.00 178.00 178.49 1xyb s THR 694 N -3.46 0.30 0.24 1.56 -4.23 -1.26 -1.98 115.64 106.80 1xyb s THR 694 Ca 0.04 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.46 1xyb s THR 694 Cb 0.07 -2.57 0.27 0.00 1.34 0.00 0.00 72.50 71.62 1xyb s THR 694 CO 0.59 0.00 1.63 0.58 -0.54 0.00 0.00 174.62 176.88 1xyb h VAL 695 N 2.46 0.34 -0.64 2.29 2.07 -1.92 -1.91 116.25 118.94 1xyb h VAL 695 Ca -0.37 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1xyb h VAL 695 Cb 1.25 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1xyb h VAL 695 CO 0.56 0.01 0.34 1.23 0.02 0.00 0.00 177.57 179.74 1xyb h GLY 696 N 0.08 0.97 1.25 2.17 0.00 -1.96 -0.65 103.07 104.92 1xyb h GLY 696 Ca 0.39 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 1xyb h GLY 696 CO -0.67 0.43 0.11 0.45 0.00 0.00 0.00 176.54 176.86 1xyb h HIS 697 N 0.88 0.97 -0.33 5.60 -0.00 -1.75 -1.30 115.15 119.22 1xyb h HIS 697 Ca 0.22 -0.11 -0.10 0.00 -0.00 0.00 0.00 60.37 60.38 1xyb h HIS 697 Cb 0.06 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.19 1xyb h HIS 697 CO -0.00 0.82 -0.18 0.00 -0.00 0.00 0.00 177.93 178.57 1xyb h ALA 698 N 1.23 0.46 -0.92 2.45 0.00 -0.99 -2.10 119.26 119.40 1xyb h ALA 698 Ca 0.18 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1xyb h ALA 698 Cb 0.37 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1xyb h ALA 698 CO 0.01 0.40 0.54 -0.07 0.00 0.00 0.00 179.25 180.12 1xyb h LEU 699 N 0.47 1.12 -0.45 0.00 3.38 -0.90 -2.32 115.31 116.62 1xyb h LEU 699 Ca 0.07 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1xyb h LEU 699 Cb 0.72 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1xyb h LEU 699 CO 0.05 0.87 -0.21 0.00 0.09 0.00 0.00 178.44 179.25 1xyb h ALA 700 N 1.31 0.63 -0.80 1.53 0.00 -1.20 -3.15 119.26 117.60 1xyb h ALA 700 Ca 0.33 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1xyb h ALA 700 Cb -0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1xyb h ALA 700 CO -0.06 0.61 0.32 0.35 0.00 0.00 0.00 179.25 180.48 1xyb h PHE 701 N 0.78 1.21 -0.96 0.00 3.57 -0.94 -3.08 116.94 117.52 1xyb h PHE 701 Ca 0.10 -0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.57 1xyb h PHE 701 Cb 0.79 -0.36 -0.06 0.00 2.79 0.00 0.00 35.95 39.10 1xyb h PHE 701 CO 0.05 0.91 0.62 0.82 -2.23 0.00 0.00 178.31 178.48 1xyb h ILE 702 N 1.16 1.11 0.00 1.41 2.04 -1.39 -0.55 117.51 121.29 1xyb h ILE 702 Ca 0.27 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1xyb h ILE 702 Cb 0.21 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 1xyb h ILE 702 CO -0.02 0.21 0.00 -0.62 0.00 0.00 0.00 178.15 177.72 1xyb n GLU 703 N -4.47 0.09 0.00 2.37 -0.58 -1.16 -1.13 120.64 115.75 1xyb n GLU 703 Ca 0.14 0.49 0.12 0.00 -0.42 0.00 0.00 57.16 57.48 1xyb n GLU 703 Cb 0.16 -1.73 0.12 0.00 -0.57 0.00 0.00 31.44 29.42 1xyb n GLU 703 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1xyb n ARG 704 N -1.90 1.59 -2.05 3.49 3.00 -0.22 -4.96 116.66 115.61 1xyb n ARG 704 Ca 0.01 -1.26 -0.32 0.00 -0.01 0.00 0.00 57.85 56.27 1xyb n ARG 704 Cb 0.09 -1.47 -0.00 0.00 0.00 0.00 0.00 32.46 31.07 1xyb n ARG 704 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1xyb s LEU 705 N -2.28 3.38 0.28 0.55 1.43 -0.28 -4.97 118.68 116.80 1xyb s LEU 705 Ca 0.24 1.51 -0.04 0.00 -1.03 0.00 0.00 54.13 54.82 1xyb s LEU 705 Cb 0.19 -4.49 0.36 0.00 0.03 0.00 0.00 46.19 42.28 1xyb s LEU 705 CO 0.45 -0.83 1.94 -0.08 0.23 0.00 0.00 176.35 178.06 1xyb h GLU 706 N 0.15 1.17 -2.33 1.70 4.81 -1.92 -3.32 114.58 114.83 1xyb h GLU 706 Ca -0.45 -0.08 -0.61 0.00 -0.13 0.00 0.00 59.36 58.09 1xyb h GLU 706 Cb 1.19 -0.26 -0.42 0.00 0.63 0.00 0.00 28.75 29.90 1xyb h GLU 706 CO 0.61 0.79 -0.57 0.54 -0.73 0.00 0.00 179.01 179.65 1xyb n ARG 707 N -4.39 2.46 -0.14 1.92 1.74 -1.26 -4.96 116.66 112.04 1xyb n ARG 707 Ca 0.10 -4.65 0.17 0.00 -0.77 0.00 0.00 57.85 52.69 1xyb n ARG 707 Cb 0.04 -2.27 0.54 0.00 -1.02 0.00 0.00 32.46 29.75 1xyb n ARG 707 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1xyb h PRO 708 N 4.37 0.33 0.00 5.56 0.11 -1.79 -1.35 132.00 139.22 1xyb h PRO 708 Ca 0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1xyb h PRO 708 Cb 0.67 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1xyb h PRO 708 CO 0.83 0.22 0.00 1.05 -0.21 0.00 0.00 178.00 179.88 1xyb h GLU 709 N 0.34 0.00 -0.00 1.05 9.09 -1.93 -2.35 114.58 120.78 1xyb h GLU 709 Ca 0.35 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.76 1xyb h GLU 709 Cb 0.90 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.00 1xyb h GLU 709 CO -0.10 0.00 -0.08 1.28 0.05 0.00 0.00 179.01 180.16 1xyb n LEU 710 N -2.44 0.19 -4.12 3.06 4.77 -0.51 -4.90 117.00 113.06 1xyb n LEU 710 Ca 0.00 0.22 -0.24 0.00 -0.03 0.00 0.00 56.01 55.97 1xyb n LEU 710 Cb 0.16 -0.30 -0.16 0.00 -2.33 0.00 0.00 43.42 40.80 1xyb n LEU 710 CO 0.18 0.04 -0.48 -0.31 -1.33 0.00 0.00 177.39 175.48 1xyb s TYR 711 N -2.68 1.44 0.00 -1.77 1.51 -0.88 -0.98 117.35 113.99 1xyb s TYR 711 Ca 0.24 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 55.96 1xyb s TYR 711 Cb 0.20 -0.96 0.00 0.00 -0.11 0.00 0.00 41.96 41.09 1xyb s TYR 711 CO 0.50 -0.08 0.00 0.41 -1.11 0.00 0.00 175.55 175.27 1xyb n GLY 712 N 2.94 5.07 3.36 0.71 0.00 0.01 -4.98 105.19 112.30 1xyb n GLY 712 Ca -0.16 -1.35 -0.27 0.00 0.00 0.00 0.00 46.02 44.24 1xyb n GLY 712 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xyb s VAL 713 N -0.90 2.11 -0.70 1.61 -7.23 -0.54 -1.07 120.40 113.68 1xyb s VAL 713 Ca 0.00 -1.73 0.05 0.00 -1.81 0.00 0.00 61.98 58.49 1xyb s VAL 713 Cb 0.00 -1.89 0.17 0.00 0.56 0.00 0.00 36.38 35.22 1xyb s VAL 713 CO 0.00 0.02 0.49 0.21 -0.31 0.00 0.00 175.10 175.51 1xyb s ASN 714 N -2.08 4.80 0.50 4.85 2.47 0.04 -2.96 114.94 122.56 1xyb s ASN 714 Ca 0.13 -3.83 -0.21 0.00 0.42 0.00 0.00 52.86 49.37 1xyb s ASN 714 Cb -0.10 -1.63 -0.07 0.00 -1.45 0.00 0.00 41.25 38.00 1xyb s ASN 714 CO 0.06 -0.09 1.11 -2.84 -3.72 0.00 0.00 177.10 171.62 1xyb s PRO 715 N -1.42 3.61 -0.07 0.43 0.02 -1.26 -4.24 135.00 132.07 1xyb s PRO 715 Ca 0.25 1.59 0.05 0.00 0.02 0.00 0.00 61.00 62.91 1xyb s PRO 715 Cb -0.05 -2.16 -0.01 0.00 0.02 0.00 0.00 34.50 32.30 1xyb s PRO 715 CO -0.16 -0.64 -0.23 -2.00 -0.33 0.00 0.00 177.00 173.64 1xyb s GLU 716 N -3.07 2.55 0.18 5.54 2.12 -1.26 -0.99 118.70 123.76 1xyb s GLU 716 Ca 0.68 -0.84 -0.26 0.00 0.36 0.00 0.00 54.97 54.92 1xyb s GLU 716 Cb -0.23 -2.09 0.04 0.00 0.26 0.00 0.00 34.13 32.11 1xyb s GLU 716 CO 0.27 0.29 1.56 0.28 -0.54 0.00 0.00 175.26 177.12 1xyb h VAL 717 N 5.31 0.05 0.00 3.70 2.07 -1.74 -2.20 116.25 123.44 1xyb h VAL 717 Ca -0.28 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.15 1xyb h VAL 717 Cb 1.19 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1xyb h VAL 717 CO 0.47 0.00 -0.39 1.23 0.02 0.00 0.00 177.57 178.90 1xyb h GLY 718 N -0.15 0.00 0.89 2.17 0.00 -1.86 -2.83 103.07 101.28 1xyb h GLY 718 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.45 1xyb h GLY 718 CO -0.79 0.00 -0.15 0.45 0.00 0.00 0.00 176.54 176.06 1xyb h HIS 719 N 0.00 0.68 -0.20 5.60 3.86 -1.74 -1.22 115.15 122.14 1xyb h HIS 719 Ca -0.00 -0.17 -0.14 0.00 -1.16 0.00 0.00 60.37 58.89 1xyb h HIS 719 Cb 0.77 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 1xyb h HIS 719 CO 0.00 0.84 -0.48 0.93 0.86 0.00 0.00 177.93 180.08 1xyb h GLU 720 N 0.32 0.51 0.00 2.45 4.39 -1.48 -2.79 114.58 117.98 1xyb h GLU 720 Ca 0.06 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.46 1xyb h GLU 720 Cb 0.67 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1xyb h GLU 720 CO 0.04 0.88 -0.02 1.96 -1.16 0.00 0.00 179.01 180.71 1xyb h GLN 721 N 0.41 0.00 0.00 2.33 4.20 -1.33 -2.02 115.11 118.70 1xyb h GLN 721 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1xyb h GLN 721 Cb 0.99 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.77 1xyb h GLN 721 CO 0.09 0.02 0.00 -1.33 -0.67 0.00 0.00 178.83 176.94 1xyb n MET 722 N -3.15 0.19 -0.32 1.46 2.81 -0.47 -1.65 117.12 115.98 1xyb n MET 722 Ca -0.00 0.42 0.07 0.00 -1.81 0.00 0.00 57.70 56.37 1xyb n MET 722 Cb 0.25 -1.86 0.21 0.00 -0.71 0.00 0.00 33.22 31.11 1xyb n MET 722 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xyb n ALA 723 N -1.77 2.61 -1.19 3.04 0.00 -0.81 -4.75 120.51 117.64 1xyb n ALA 723 Ca 0.02 -1.71 -0.07 0.00 0.00 0.00 0.00 53.44 51.68 1xyb n ALA 723 Cb 0.23 -0.59 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 1xyb n ALA 723 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xyb n GLY 724 N 0.06 0.87 3.93 0.00 0.00 -0.66 -5.01 105.19 104.39 1xyb n GLY 724 Ca 0.17 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 1xyb n GLY 724 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xyb s LEU 725 N -1.52 3.93 -0.41 0.99 1.43 -0.92 -4.99 118.68 117.19 1xyb s LEU 725 Ca 0.00 0.58 -0.26 0.00 -1.03 0.00 0.00 54.13 53.42 1xyb s LEU 725 Cb 0.00 -3.46 0.02 0.00 0.03 0.00 0.00 46.19 42.78 1xyb s LEU 725 CO 0.00 -0.35 0.96 0.21 0.23 0.00 0.00 176.35 177.40 1xyb s ASN 726 N -3.99 6.62 0.01 2.29 3.84 -1.26 -4.24 114.94 118.21 1xyb s ASN 726 Ca 0.42 0.44 -0.23 0.00 0.21 0.00 0.00 52.86 53.69 1xyb s ASN 726 Cb -0.10 -2.47 -0.17 0.00 -0.55 0.00 0.00 41.25 37.95 1xyb s ASN 726 CO 0.38 -0.97 1.31 0.15 -2.79 0.00 0.00 177.10 175.18 1xyb h PHE 727 N 8.75 0.19 -1.01 0.43 3.57 -1.91 -1.89 116.94 125.08 1xyb h PHE 727 Ca -0.23 -0.06 0.23 0.00 3.53 0.00 0.00 57.97 61.45 1xyb h PHE 727 Cb 1.07 -0.04 -0.12 0.00 2.79 0.00 0.00 35.95 39.65 1xyb h PHE 727 CO 0.86 0.59 0.60 -1.35 -2.23 0.00 0.00 178.31 176.79 1xyb h PRO 728 N -0.26 0.59 -0.57 6.41 0.11 -1.92 -0.39 132.00 135.98 1xyb h PRO 728 Ca 0.01 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 1xyb h PRO 728 Cb 0.56 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 1xyb h PRO 728 CO 0.02 0.39 0.22 0.45 -0.21 0.00 0.00 178.00 178.87 1xyb h HIS 729 N 0.61 0.87 -0.70 0.65 3.86 -1.91 -1.00 115.15 117.53 1xyb h HIS 729 Ca 0.63 -0.07 -0.07 0.00 -1.16 0.00 0.00 60.37 59.70 1xyb h HIS 729 Cb 1.17 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 29.35 1xyb h HIS 729 CO -0.01 0.71 0.16 0.78 0.86 0.00 0.00 177.93 180.44 1xyb h GLY 730 N 0.78 1.21 1.26 2.45 0.00 -0.52 -2.29 103.07 105.95 1xyb h GLY 730 Ca 0.19 -0.76 -0.15 0.00 0.00 0.00 0.00 47.33 46.61 1xyb h GLY 730 CO -0.01 0.70 -0.40 -2.22 0.00 0.00 0.00 176.54 174.61 1xyb h ILE 731 N 1.06 1.28 -0.71 2.60 1.08 -0.94 -2.39 117.51 119.50 1xyb h ILE 731 Ca 0.22 -1.57 -0.03 0.00 -0.39 0.00 0.00 64.86 63.08 1xyb h ILE 731 Cb 0.38 1.45 -0.03 0.00 -3.07 0.00 0.00 36.82 35.54 1xyb h ILE 731 CO 0.00 0.52 0.31 0.00 -0.69 0.00 0.00 178.15 178.29 1xyb h ALA 732 N 0.88 1.21 -0.50 1.87 0.00 -0.91 0.04 119.26 121.85 1xyb h ALA 732 Ca 0.05 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1xyb h ALA 732 Cb 0.96 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1xyb h ALA 732 CO 0.09 0.59 -0.11 0.37 0.00 0.00 0.00 179.25 180.18 1xyb h GLN 733 N 1.01 0.93 -0.39 0.00 4.15 -1.35 0.98 115.11 120.45 1xyb h GLN 733 Ca 0.24 -0.34 -0.08 0.00 0.77 0.00 0.00 58.65 59.24 1xyb h GLN 733 Cb 0.15 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 1xyb h GLN 733 CO -0.03 0.99 -0.08 0.00 -1.93 0.00 0.00 178.83 177.78 1xyb h ALA 734 N 1.03 0.53 -0.77 3.38 0.00 -0.89 -0.68 119.26 121.86 1xyb h ALA 734 Ca 0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1xyb h ALA 734 Cb 0.65 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1xyb h ALA 734 CO 0.05 0.39 0.31 -0.07 0.00 0.00 0.00 179.25 179.93 1xyb h LEU 735 N 0.55 1.06 -1.06 0.00 3.38 -0.96 -0.74 115.31 117.53 1xyb h LEU 735 Ca 0.10 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1xyb h LEU 735 Cb 0.60 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1xyb h LEU 735 CO 0.04 0.93 0.23 -0.25 0.09 0.00 0.00 178.44 179.48 1xyb h TRP 736 N 1.12 0.90 0.00 1.13 7.01 -0.46 -1.78 115.95 123.88 1xyb h TRP 736 Ca 0.26 -0.06 0.00 0.00 2.11 0.00 0.00 58.89 61.20 1xyb h TRP 736 Cb 0.20 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 26.99 1xyb h TRP 736 CO 0.02 0.71 0.00 0.00 -2.79 0.00 0.00 178.44 176.37 1xyb n ALA 737 N -2.45 2.49 -1.72 2.65 0.00 -0.29 -4.92 120.51 116.27 1xyb n ALA 737 Ca 0.05 -0.15 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 1xyb n ALA 737 Cb 0.18 -1.49 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 1xyb n ALA 737 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xyb n GLY 738 N 1.19 0.62 0.38 0.00 0.00 -0.67 -4.93 105.19 101.78 1xyb n GLY 738 Ca 0.16 -0.50 0.05 0.00 0.00 0.00 0.00 46.02 45.73 1xyb n GLY 738 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xyb n LYS 739 N -2.38 2.70 -2.84 1.61 4.76 -0.36 -4.88 118.16 116.77 1xyb n LYS 739 Ca -0.12 -2.06 -0.43 0.00 -2.87 0.00 0.00 58.31 52.83 1xyb n LYS 739 Cb 0.46 -1.30 -0.03 0.00 -1.84 0.00 0.00 35.03 32.33 1xyb n LYS 739 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1xyb s LEU 740 N -1.55 4.67 0.19 -0.35 2.96 -1.23 -1.47 118.68 121.91 1xyb s LEU 740 Ca 0.20 -1.92 0.13 0.00 -0.22 0.00 0.00 54.13 52.32 1xyb s LEU 740 Cb 0.14 -2.44 -0.05 0.00 0.50 0.00 0.00 46.19 44.34 1xyb s LEU 740 CO 0.08 -1.17 1.29 -0.26 -1.32 0.00 0.00 176.35 174.97 1xyb h PHE 741 N 9.04 0.00 -2.95 5.38 -1.00 -1.87 -3.48 116.94 122.05 1xyb h PHE 741 Ca 0.17 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.98 1xyb h PHE 741 Cb 1.02 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 40.49 1xyb h PHE 741 CO 1.19 0.67 0.24 -1.58 -1.61 0.00 0.00 178.31 177.22 1xyb s HIS 742 N -2.87 -0.36 -0.08 -0.55 2.46 -1.19 -4.88 115.29 107.81 1xyb s HIS 742 Ca 0.02 0.04 -0.07 0.00 0.47 0.00 0.00 55.06 55.52 1xyb s HIS 742 Cb 0.08 0.63 0.02 0.00 -0.13 0.00 0.00 32.58 33.18 1xyb s HIS 742 CO 0.78 -1.01 0.21 -1.50 -2.47 0.00 0.00 174.74 170.75 1xyb s ILE 743 N -3.79 0.00 -0.25 0.89 2.07 -1.26 -4.02 121.20 114.85 1xyb s ILE 743 Ca 0.06 -0.01 -0.08 0.00 -1.41 0.00 0.00 60.65 59.21 1xyb s ILE 743 Cb -0.03 -0.31 -0.03 0.00 0.13 0.00 0.00 42.46 42.22 1xyb s ILE 743 CO -0.03 -0.01 0.08 -1.81 -1.91 0.00 0.00 174.94 171.26 1xyb s ASP 744 N 0.08 5.26 -0.18 4.50 1.01 -0.16 -3.24 116.67 123.94 1xyb s ASP 744 Ca -0.00 -0.16 -0.06 0.00 0.71 0.00 0.00 52.55 53.03 1xyb s ASP 744 Cb -0.02 -1.95 -0.03 0.00 1.01 0.00 0.00 42.92 41.93 1xyb s ASP 744 CO 0.00 -0.02 0.02 -0.76 0.21 0.00 0.00 175.17 174.63 1xyb s LEU 745 N 1.53 3.56 0.00 1.23 1.43 0.11 -2.08 118.68 124.46 1xyb s LEU 745 Ca 0.06 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1xyb s LEU 745 Cb -0.15 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1xyb s LEU 745 CO 0.04 0.16 0.00 -0.46 0.23 0.00 0.00 176.35 176.32 1xyb n ASN 746 N 3.64 0.00 -4.14 2.29 0.23 -1.26 -2.21 115.26 113.81 1xyb n ASN 746 Ca -0.17 -0.09 -0.11 0.00 -0.53 0.00 0.00 54.58 53.68 1xyb n ASN 746 Cb 0.52 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.12 1xyb n ASN 746 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1xyb s GLY 747 N -0.43 0.70 -0.17 4.83 0.00 0.07 -4.45 107.32 107.87 1xyb s GLY 747 Ca 0.00 -1.19 -0.13 0.00 0.00 0.00 0.00 44.72 43.40 1xyb s GLY 747 CO 0.00 -1.28 0.45 1.62 0.00 0.00 0.00 173.10 173.89 1xyb s GLN 748 N -3.19 0.49 -0.92 2.90 2.00 -1.26 -1.22 119.66 118.46 1xyb s GLN 748 Ca 0.06 0.71 -0.00 0.00 -2.00 0.00 0.00 55.36 54.12 1xyb s GLN 748 Cb 0.01 0.15 0.30 0.00 0.80 0.00 0.00 33.01 34.27 1xyb s GLN 748 CO -0.03 -0.10 1.29 -1.13 -0.50 0.00 0.00 175.29 174.82 1xyb n SER 749 N 3.40 5.70 0.00 6.67 3.41 -1.26 -3.16 113.62 128.38 1xyb n SER 749 Ca -0.17 -3.48 0.00 0.00 -0.26 0.00 0.00 58.87 54.96 1xyb n SER 749 Cb 0.56 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 1xyb n SER 749 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xyb n GLY 750 N 0.92 -1.84 3.49 5.00 0.00 -1.26 -4.83 105.19 106.67 1xyb n GLY 750 Ca 0.30 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 1xyb n GLY 750 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xyb s ILE 751 N -0.05 4.59 0.01 -0.61 1.01 -1.26 -4.52 121.20 120.37 1xyb s ILE 751 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.60 1xyb s ILE 751 Cb 0.00 -4.44 0.01 0.00 0.01 0.00 0.00 42.46 38.04 1xyb s ILE 751 CO 0.00 -0.98 0.09 2.29 0.00 0.00 0.00 174.94 176.34 1xyb n LYS 752 N 6.92 0.03 -1.28 2.79 2.85 -1.26 -5.10 118.16 123.12 1xyb n LYS 752 Ca -0.02 -0.09 -0.36 0.00 -1.05 0.00 0.00 58.31 56.79 1xyb n LYS 752 Cb 0.47 0.13 0.07 0.00 -0.65 0.00 0.00 35.03 35.05 1xyb n LYS 752 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 1xyb n TYR 753 N -0.07 -0.59 -2.04 5.58 4.11 -1.26 -4.84 117.16 118.05 1xyb n TYR 753 Ca 0.00 0.36 -0.43 0.00 -0.00 0.00 0.00 57.90 57.84 1xyb n TYR 753 Cb 0.05 -1.94 -0.03 0.00 -0.00 0.00 0.00 39.34 37.42 1xyb n TYR 753 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 1xyb s ASP 754 N -1.49 5.90 -0.01 9.48 2.15 -1.26 -4.89 116.67 126.56 1xyb s ASP 754 Ca 0.67 1.17 0.04 0.00 0.43 0.00 0.00 52.55 54.86 1xyb s ASP 754 Cb -0.35 -2.53 -0.25 0.00 -0.30 0.00 0.00 42.92 39.49 1xyb s ASP 754 CO 0.57 -1.73 0.81 1.56 -0.17 0.00 0.00 175.17 176.21 1xyb h GLN 755 N 12.77 0.12 -6.21 4.34 4.20 -1.88 -3.49 115.11 124.97 1xyb h GLN 755 Ca -0.32 -0.20 -0.44 0.00 0.06 0.00 0.00 58.65 57.74 1xyb h GLN 755 Cb 1.16 0.07 0.02 0.00 0.30 0.00 0.00 27.48 29.04 1xyb h GLN 755 CO 1.05 0.88 -0.84 -0.25 -0.67 0.00 0.00 178.83 179.00 1xyb n ASP 756 N -3.29 -1.15 -4.75 1.46 8.00 -1.24 -4.65 116.55 110.94 1xyb n ASP 756 Ca -0.15 -0.87 -0.30 0.00 0.71 0.00 0.00 54.79 54.18 1xyb n ASP 756 Cb 1.03 -3.79 0.11 0.00 -0.02 0.00 0.00 41.12 38.45 1xyb n ASP 756 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xyb s LEU 757 N -6.78 2.65 0.60 0.64 1.43 -0.36 -0.52 118.68 116.33 1xyb s LEU 757 Ca 0.04 1.62 -0.19 0.00 -1.03 0.00 0.00 54.13 54.57 1xyb s LEU 757 Cb -0.02 -4.19 -0.03 0.00 0.03 0.00 0.00 46.19 41.98 1xyb s LEU 757 CO 0.83 -2.28 1.28 0.00 0.23 0.00 0.00 176.35 176.41 1xyb s ARG 758 N -4.94 2.85 0.34 1.70 1.70 -1.26 -0.75 118.95 118.58 1xyb s ARG 758 Ca 0.62 2.03 -0.29 0.00 -0.47 0.00 0.00 55.73 57.63 1xyb s ARG 758 Cb -0.17 -1.99 -0.11 0.00 -0.57 0.00 0.00 34.95 32.11 1xyb s ARG 758 CO 0.56 -1.36 1.52 0.12 -1.08 0.00 0.00 175.30 175.06 1xyb s PHE 759 N -1.43 2.68 0.00 5.89 5.36 -1.26 -1.97 117.98 127.25 1xyb s PHE 759 Ca 0.78 1.02 0.00 0.00 -0.96 0.00 0.00 56.93 57.77 1xyb s PHE 759 Cb -0.36 -4.03 0.00 0.00 -0.34 0.00 0.00 43.02 38.29 1xyb s PHE 759 CO 0.40 -3.19 0.00 0.41 -1.46 0.00 0.00 175.22 171.38 1xyb n GLY 760 N 1.20 2.81 3.79 13.12 0.00 -1.26 -4.48 105.19 120.36 1xyb n GLY 760 Ca 0.04 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 1xyb n GLY 760 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyb s ALA 761 N -1.33 2.05 0.00 4.61 0.00 -0.83 -4.20 121.76 122.06 1xyb s ALA 761 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1xyb s ALA 761 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1xyb s ALA 761 CO 0.00 -1.93 0.00 0.41 0.00 0.00 0.00 175.76 174.24 1xyb n GLY 762 N -2.00 1.00 3.54 0.00 0.00 -1.26 -4.12 105.19 102.35 1xyb n GLY 762 Ca 0.07 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 1xyb n GLY 762 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xyb s ASP 763 N -4.00 6.36 0.15 1.61 -1.08 -1.19 -4.88 116.67 113.65 1xyb s ASP 763 Ca 0.00 -1.10 -0.12 0.00 -0.52 0.00 0.00 52.55 50.81 1xyb s ASP 763 Cb 0.00 -2.55 0.03 0.00 -1.46 0.00 0.00 42.92 38.94 1xyb s ASP 763 CO 0.00 -1.60 1.63 0.25 0.52 0.00 0.00 175.17 175.97 1xyb h LEU 764 N 12.63 0.83 -1.04 -1.34 5.85 -1.81 -2.10 115.31 128.33 1xyb h LEU 764 Ca -0.01 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.38 1xyb h LEU 764 Cb 1.03 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 1xyb h LEU 764 CO 1.34 0.89 0.05 0.03 -0.34 0.00 0.00 178.44 180.40 1xyb h ARG 765 N 0.73 0.73 -0.62 1.25 2.47 -1.93 -2.05 114.38 114.97 1xyb h ARG 765 Ca 0.15 -0.17 -0.05 0.00 -1.26 0.00 0.00 59.98 58.66 1xyb h ARG 765 Cb 0.43 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.62 1xyb h ARG 765 CO 0.01 0.71 0.20 0.00 0.56 0.00 0.00 179.97 181.45 1xyb h ALA 766 N 1.36 1.19 -0.80 0.04 0.00 -1.95 -1.16 119.26 117.94 1xyb h ALA 766 Ca 0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1xyb h ALA 766 Cb 0.36 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1xyb h ALA 766 CO 0.01 0.57 0.39 0.00 0.00 0.00 0.00 179.25 180.22 1xyb h ALA 767 N 1.31 1.19 -0.18 0.00 0.00 -0.82 -0.69 119.26 120.06 1xyb h ALA 767 Ca 0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1xyb h ALA 767 Cb 0.25 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1xyb h ALA 767 CO -0.01 0.62 0.04 0.35 0.00 0.00 0.00 179.25 180.26 1xyb h PHE 768 N 1.13 0.31 0.00 0.00 3.57 -0.80 -1.57 116.94 119.58 1xyb h PHE 768 Ca 0.28 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 1xyb h PHE 768 Cb 0.10 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1xyb h PHE 768 CO 0.01 0.42 -0.28 -1.49 -2.23 0.00 0.00 178.31 174.74 1xyb h TRP 769 N 0.10 0.00 -0.04 0.41 -0.00 -1.10 -1.67 115.95 113.65 1xyb h TRP 769 Ca 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.93 1xyb h TRP 769 Cb 0.27 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.43 1xyb h TRP 769 CO 0.01 0.28 -0.04 1.25 -0.00 0.00 0.00 178.44 179.94 1xyb h LEU 770 N 0.00 0.12 -0.75 -4.49 5.85 -0.95 -1.48 115.31 113.61 1xyb h LEU 770 Ca -0.00 -0.49 -0.08 0.00 0.84 0.00 0.00 57.88 58.15 1xyb h LEU 770 Cb 0.67 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1xyb h LEU 770 CO 0.04 0.58 0.06 0.58 -0.34 0.00 0.00 178.44 179.36 1xyb h VAL 771 N -0.34 1.26 -0.31 1.05 2.07 -1.14 -0.59 116.25 118.25 1xyb h VAL 771 Ca 0.01 -1.05 0.06 0.00 0.82 0.00 0.00 66.70 66.54 1xyb h VAL 771 Cb 0.55 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 1xyb h VAL 771 CO 0.01 0.39 -0.08 -0.78 0.02 0.00 0.00 177.57 177.13 1xyb h ASP 772 N 0.95 -0.29 0.00 0.57 3.58 -1.32 0.57 116.42 120.49 1xyb h ASP 772 Ca 0.18 0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.73 1xyb h ASP 772 Cb 0.46 0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.70 1xyb h ASP 772 CO 0.02 -0.10 -0.00 0.25 -2.88 0.00 0.00 179.24 176.52 1xyb h LEU 773 N -0.00 -0.00 -0.94 2.28 6.46 -0.68 0.66 115.31 123.09 1xyb h LEU 773 Ca 0.15 -0.21 -0.07 0.00 -0.12 0.00 0.00 57.88 57.63 1xyb h LEU 773 Cb 0.23 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.13 1xyb h LEU 773 CO -0.32 0.21 0.05 -0.07 -0.62 0.00 0.00 178.44 177.69 1xyb h LEU 774 N -0.21 0.79 0.06 2.25 3.38 -0.83 -0.19 115.31 120.56 1xyb h LEU 774 Ca -0.00 -0.17 -0.28 0.00 0.09 0.00 0.00 57.88 57.52 1xyb h LEU 774 Cb 0.21 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1xyb h LEU 774 CO 0.00 0.83 -1.20 -0.33 0.09 0.00 0.00 178.44 177.83 1xyb h GLU 775 N 0.79 0.42 0.00 1.13 4.39 -0.87 -1.82 114.58 118.62 1xyb h GLU 775 Ca 0.16 -0.60 -0.11 0.00 0.34 0.00 0.00 59.36 59.15 1xyb h GLU 775 Cb 0.40 0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 1xyb h GLU 775 CO 0.01 1.25 -0.50 0.66 -1.16 0.00 0.00 179.01 179.27 1xyb h SER 776 N 0.17 0.00 0.23 1.42 4.64 -0.62 -3.19 113.55 116.20 1xyb h SER 776 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1xyb h SER 776 Cb 1.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.97 1xyb h SER 776 CO 0.21 0.50 -0.03 0.00 -0.87 0.00 0.00 176.83 176.64 1xyb n ALA 777 N -2.23 2.65 -3.23 5.18 0.00 -0.10 -4.94 120.51 117.85 1xyb n ALA 777 Ca 0.02 -0.23 -0.20 0.00 0.00 0.00 0.00 53.44 53.03 1xyb n ALA 777 Cb 0.73 -1.42 0.05 0.00 0.00 0.00 0.00 19.45 18.81 1xyb n ALA 777 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xyb n GLY 778 N 1.16 -0.31 3.71 0.00 0.00 -1.13 -4.97 105.19 103.66 1xyb n GLY 778 Ca 0.19 0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 1xyb n GLY 778 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xyb n TYR 779 N -4.49 2.55 0.18 1.61 9.36 -0.70 -4.91 117.16 120.76 1xyb n TYR 779 Ca -0.03 0.29 0.02 0.00 3.32 0.00 0.00 57.90 61.50 1xyb n TYR 779 Cb 0.57 -2.56 0.02 0.00 -0.63 0.00 0.00 39.34 36.74 1xyb n TYR 779 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1xyb n GLU 780 N 2.45 -0.29 -1.57 2.98 1.02 -1.26 -4.92 120.64 119.05 1xyb n GLU 780 Ca 0.11 -0.79 -0.30 0.00 -0.02 0.00 0.00 57.16 56.16 1xyb n GLU 780 Cb 0.34 -1.09 0.22 0.00 -0.02 0.00 0.00 31.44 30.89 1xyb n GLU 780 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1xyb s GLY 781 N -0.39 1.71 0.43 0.62 0.00 -1.26 -5.00 107.32 103.43 1xyb s GLY 781 Ca 0.05 -1.16 -0.26 0.00 0.00 0.00 0.00 44.72 43.35 1xyb s GLY 781 CO 0.06 -0.31 1.43 -4.14 0.00 0.00 0.00 173.10 170.13 1xyb s PRO 782 N -5.73 3.78 -0.88 2.90 0.02 -1.26 -4.95 135.00 128.87 1xyb s PRO 782 Ca 0.74 2.43 -0.17 0.00 0.02 0.00 0.00 61.00 64.02 1xyb s PRO 782 Cb -0.05 -2.72 0.17 0.00 0.02 0.00 0.00 34.50 31.91 1xyb s PRO 782 CO 0.54 -0.75 0.97 1.03 -0.33 0.00 0.00 177.00 178.47 1xyb s ARG 783 N -2.37 3.59 -0.05 5.54 3.00 -0.28 -4.27 118.95 124.11 1xyb s ARG 783 Ca 0.59 -2.03 -0.15 0.00 0.00 0.00 0.00 55.73 54.14 1xyb s ARG 783 Cb -0.44 -4.71 -0.05 0.00 0.00 0.00 0.00 34.95 29.75 1xyb s ARG 783 CO 0.57 -1.57 0.40 -1.58 0.00 0.00 0.00 175.30 173.11 1xyb s HIS 784 N 1.68 3.64 -0.34 -0.53 2.46 -1.20 -1.53 115.29 119.46 1xyb s HIS 784 Ca 0.26 0.90 -0.09 0.00 0.47 0.00 0.00 55.06 56.60 1xyb s HIS 784 Cb -0.07 -2.34 0.02 0.00 -0.13 0.00 0.00 32.58 30.06 1xyb s HIS 784 CO -0.09 0.49 0.15 -0.06 -2.47 0.00 0.00 174.74 172.77 1xyb s PHE 785 N -0.51 3.22 -0.68 3.88 0.08 0.13 0.04 117.98 124.14 1xyb s PHE 785 Ca 0.23 -1.00 -0.06 0.00 0.12 0.00 0.00 56.93 56.22 1xyb s PHE 785 Cb -0.16 -2.36 0.18 0.00 -0.57 0.00 0.00 43.02 40.11 1xyb s PHE 785 CO 0.11 -0.62 0.53 0.34 -0.10 0.00 0.00 175.22 175.48 1xyb s ASP 786 N 1.52 5.64 0.19 1.36 2.15 -0.94 -3.72 116.67 122.87 1xyb s ASP 786 Ca 0.02 -2.81 0.00 0.00 0.43 0.00 0.00 52.55 50.19 1xyb s ASP 786 Cb -0.19 -1.95 -0.04 0.00 -0.30 0.00 0.00 42.92 40.44 1xyb s ASP 786 CO 0.05 -0.42 0.07 0.72 -0.17 0.00 0.00 175.17 175.42 1xyb s PHE 787 N -0.00 1.22 -0.20 -5.34 -0.71 -1.26 -4.61 117.98 107.07 1xyb s PHE 787 Ca 0.17 -1.19 0.01 0.00 -1.04 0.00 0.00 56.93 54.88 1xyb s PHE 787 Cb -0.18 -0.68 0.05 0.00 -1.21 0.00 0.00 43.02 41.00 1xyb s PHE 787 CO -0.05 -0.40 -0.09 0.15 -1.34 0.00 0.00 175.22 173.49 1xyb s LYS 788 N -4.03 1.92 0.02 1.99 1.02 0.32 -4.40 119.74 116.58 1xyb s LYS 788 Ca 0.31 -0.85 -0.34 0.00 0.02 0.00 0.00 55.97 55.11 1xyb s LYS 788 Cb 0.07 -2.42 -0.13 0.00 -0.52 0.00 0.00 37.83 34.84 1xyb s LYS 788 CO 0.08 -0.46 1.73 -2.30 -0.92 0.00 0.00 175.35 173.48 1xyb n PRO 789 N 4.69 2.11 -1.45 -1.68 -0.02 -1.26 -4.64 135.00 132.75 1xyb n PRO 789 Ca -0.14 0.77 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 1xyb n PRO 789 Cb 0.46 -2.57 0.01 0.00 -0.02 0.00 0.00 33.50 31.38 1xyb n PRO 789 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1xyb n PRO 790 N 5.07 0.57 0.00 0.52 -0.02 -1.26 -4.85 135.00 135.04 1xyb n PRO 790 Ca 0.20 0.21 0.08 0.00 -2.02 0.00 0.00 63.50 61.97 1xyb n PRO 790 Cb 0.28 -1.52 0.44 0.00 -0.02 0.00 0.00 33.50 32.69 1xyb n PRO 790 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1xyb n ARG 791 N 0.56 0.36 0.27 -0.52 1.85 -1.26 -1.91 116.66 116.01 1xyb n ARG 791 Ca 0.11 0.08 0.17 0.00 -1.00 0.00 0.00 57.85 57.21 1xyb n ARG 791 Cb 0.40 -1.50 0.64 0.00 -1.05 0.00 0.00 32.46 30.95 1xyb n ARG 791 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 1xyb h THR 792 N 0.00 0.01 -3.39 8.89 1.35 -1.97 -3.45 112.91 114.36 1xyb h THR 792 Ca 0.00 -0.56 -0.55 0.00 -0.55 0.00 0.00 66.41 64.75 1xyb h THR 792 Cb 0.09 1.56 -0.03 0.00 -1.73 0.00 0.00 68.15 68.03 1xyb h THR 792 CO 0.00 0.00 -0.12 -1.61 -0.25 0.00 0.00 175.52 173.54 1xyb s GLU 793 N -3.63 3.83 0.21 4.72 0.41 -0.80 -5.10 118.70 118.33 1xyb s GLU 793 Ca 0.02 0.30 -0.01 0.00 -0.41 0.00 0.00 54.97 54.87 1xyb s GLU 793 Cb 0.09 -2.73 0.04 0.00 -1.78 0.00 0.00 34.13 29.75 1xyb s GLU 793 CO 0.56 0.37 0.29 -0.40 -0.49 0.00 0.00 175.26 175.58 1xyb n ASP 794 N 0.11 0.32 0.09 -0.19 5.68 -1.26 -4.83 116.55 116.46 1xyb n ASP 794 Ca -0.01 -1.29 0.04 0.00 -0.50 0.00 0.00 54.79 53.03 1xyb n ASP 794 Cb 0.52 -0.19 0.45 0.00 -1.14 0.00 0.00 41.12 40.76 1xyb n ASP 794 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1xyb h ILE 795 N -0.56 1.11 -0.24 2.12 6.09 -1.99 -0.08 117.51 123.95 1xyb h ILE 795 Ca -0.10 -0.35 -0.10 0.00 -1.37 0.00 0.00 64.86 62.94 1xyb h ILE 795 Cb 0.34 0.84 -0.01 0.00 0.47 0.00 0.00 36.82 38.45 1xyb h ILE 795 CO 0.10 0.13 -0.29 0.44 -3.07 0.00 0.00 178.15 175.46 1xyb h ASP 796 N 0.34 0.49 0.08 2.19 3.32 -2.00 -2.61 116.42 118.22 1xyb h ASP 796 Ca 0.08 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 56.85 1xyb h ASP 796 Cb 0.10 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1xyb h ASP 796 CO -0.01 0.76 -0.35 1.23 -1.72 0.00 0.00 179.24 179.15 1xyb h GLY 797 N 1.04 0.41 0.38 2.75 0.00 -1.42 -2.02 103.07 104.22 1xyb h GLY 797 Ca 0.06 -0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.06 1xyb h GLY 797 CO 0.06 0.34 -0.19 -2.08 0.00 0.00 0.00 176.54 174.66 1xyb h VAL 798 N 0.33 0.51 -0.00 4.60 2.07 -0.79 -0.89 116.25 122.07 1xyb h VAL 798 Ca 0.04 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.42 1xyb h VAL 798 Cb 0.77 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1xyb h VAL 798 CO 0.06 0.00 -0.63 -0.50 0.02 0.00 0.00 177.57 176.52 1xyb h TRP 799 N -0.25 0.00 -0.64 1.57 -0.00 -1.40 -1.88 115.95 113.35 1xyb h TRP 799 Ca 0.10 -0.00 -0.07 0.00 -0.00 0.00 0.00 58.89 58.92 1xyb h TRP 799 Cb 0.39 -0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.52 1xyb h TRP 799 CO -0.30 0.63 0.14 0.00 -0.00 0.00 0.00 178.44 178.92 1xyb h ALA 800 N 1.37 1.04 -0.44 1.49 0.00 -1.17 -0.68 119.26 120.87 1xyb h ALA 800 Ca -0.01 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 1xyb h ALA 800 Cb 1.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1xyb h ALA 800 CO 0.08 0.63 -0.02 1.03 0.00 0.00 0.00 179.25 180.97 1xyb h SER 801 N 0.97 0.77 -0.32 0.00 0.87 -0.82 -0.83 113.55 114.19 1xyb h SER 801 Ca 0.20 -0.32 -0.03 0.00 -1.23 0.00 0.00 61.79 60.42 1xyb h SER 801 Cb 0.36 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1xyb h SER 801 CO 0.00 0.90 0.10 0.00 -0.53 0.00 0.00 176.83 177.30 1xyb h ALA 802 N 0.90 0.41 -0.43 6.23 0.00 -1.29 -1.86 119.26 123.22 1xyb h ALA 802 Ca 0.12 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1xyb h ALA 802 Cb 0.51 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1xyb h ALA 802 CO 0.03 0.05 0.13 0.00 0.00 0.00 0.00 179.25 179.45 1xyb h ALA 803 N 0.94 1.41 -0.32 0.00 0.00 -1.02 -2.48 119.26 117.79 1xyb h ALA 803 Ca 0.10 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1xyb h ALA 803 Cb 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1xyb h ALA 803 CO -0.00 0.43 -0.13 0.78 0.00 0.00 0.00 179.25 180.32 1xyb h GLY 804 N 0.82 0.61 0.37 0.00 0.00 -0.72 -1.75 103.07 102.39 1xyb h GLY 804 Ca 0.15 -0.44 0.07 0.00 0.00 0.00 0.00 47.33 47.10 1xyb h GLY 804 CO -0.01 0.40 -0.06 0.00 0.00 0.00 0.00 176.54 176.88 1xyb h MET 806 N 0.03 0.61 -0.74 0.00 2.86 -1.47 -2.80 114.93 113.42 1xyb h MET 806 Ca 0.16 -0.35 0.03 0.00 -2.06 0.00 0.00 59.70 57.47 1xyb h MET 806 Cb 0.24 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 1xyb h MET 806 CO -0.33 0.96 0.47 -0.09 1.06 0.00 0.00 176.91 178.99 1xyb h ARG 807 N 0.31 0.90 -0.29 1.72 2.43 -1.21 -1.33 114.38 116.92 1xyb h ARG 807 Ca 0.03 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.01 1xyb h ARG 807 Cb 0.89 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1xyb h ARG 807 CO 0.07 0.60 -0.35 -0.91 -1.51 0.00 0.00 179.97 177.87 1xyb h ASN 808 N 0.93 0.67 -0.41 -3.80 -0.26 -1.12 -1.06 115.58 110.53 1xyb h ASN 808 Ca 0.29 -0.28 -0.02 0.00 -0.56 0.00 0.00 56.30 55.72 1xyb h ASN 808 Cb -0.01 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.04 1xyb h ASN 808 CO -0.10 0.97 0.16 0.22 -1.06 0.00 0.00 177.43 177.62 1xyb h TYR 809 N 0.54 0.63 -0.17 1.19 5.03 -1.15 -1.31 116.97 121.73 1xyb h TYR 809 Ca 0.05 -0.05 -0.09 0.00 2.58 0.00 0.00 58.73 61.23 1xyb h TYR 809 Cb 0.86 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.94 1xyb h TYR 809 CO 0.04 0.56 -0.28 -0.07 -1.32 0.00 0.00 178.16 177.09 1xyb h LEU 810 N 0.52 0.32 -0.17 2.82 3.38 -0.97 -0.31 115.31 120.91 1xyb h LEU 810 Ca 0.14 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1xyb h LEU 810 Cb 0.20 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1xyb h LEU 810 CO -0.01 0.60 -0.20 0.40 0.09 0.00 0.00 178.44 179.32 1xyb h ILE 811 N 0.28 1.34 0.00 1.22 2.04 -1.04 -2.68 117.51 118.67 1xyb h ILE 811 Ca 0.04 -1.38 -0.06 0.00 1.00 0.00 0.00 64.86 64.46 1xyb h ILE 811 Cb 0.65 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 1xyb h ILE 811 CO 0.05 0.41 -0.29 -0.07 0.00 0.00 0.00 178.15 178.25 1xyb h LEU 812 N 0.08 0.00 -0.33 1.44 3.38 -0.87 -1.80 115.31 117.21 1xyb h LEU 812 Ca 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1xyb h LEU 812 Cb 0.75 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1xyb h LEU 812 CO 0.05 0.29 -0.01 0.50 0.09 0.00 0.00 178.44 179.36 1xyb h LYS 813 N 0.00 0.58 -0.67 1.13 3.64 -1.02 -0.53 116.57 119.71 1xyb h LYS 813 Ca -0.00 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 1xyb h LYS 813 Cb 0.54 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 1xyb h LYS 813 CO 0.04 0.71 0.32 1.49 -2.27 0.00 0.00 179.45 179.74 1xyb h GLU 814 N 0.38 0.96 -0.20 1.90 4.81 -1.12 -1.04 114.58 120.27 1xyb h GLU 814 Ca 0.09 -0.14 -0.19 0.00 -0.13 0.00 0.00 59.36 58.99 1xyb h GLU 814 Cb 0.46 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1xyb h GLU 814 CO 0.02 0.76 -0.64 0.00 -0.73 0.00 0.00 179.01 178.42 1xyb h ARG 815 N 0.92 0.72 -0.59 1.92 2.47 -1.13 -1.17 114.38 117.51 1xyb h ARG 815 Ca 0.23 -0.51 -0.07 0.00 -1.26 0.00 0.00 59.98 58.37 1xyb h ARG 815 Cb 0.12 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 1xyb h ARG 815 CO -0.03 1.13 0.11 0.00 0.56 0.00 0.00 179.97 181.74 1xyb h ALA 816 N 0.75 0.78 -0.33 0.04 0.00 -1.02 -0.84 119.26 118.65 1xyb h ALA 816 Ca -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1xyb h ALA 816 Cb 1.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1xyb h ALA 816 CO 0.13 0.53 0.13 0.00 0.00 0.00 0.00 179.25 180.04 1xyb h ALA 817 N 1.02 0.42 -0.26 0.00 0.00 -1.14 -1.72 119.26 117.58 1xyb h ALA 817 Ca 0.18 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1xyb h ALA 817 Cb 0.40 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1xyb h ALA 817 CO 0.01 0.02 -0.05 0.00 0.00 0.00 0.00 179.25 179.23 1xyb h ALA 818 N 0.97 1.43 0.51 0.00 0.00 -1.02 -1.43 119.26 119.72 1xyb h ALA 818 Ca 0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1xyb h ALA 818 Cb 0.18 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xyb h ALA 818 CO -0.01 0.40 -0.25 0.35 0.00 0.00 0.00 179.25 179.74 1xyb h PHE 819 N 0.39 -0.64 0.00 0.00 3.57 -0.67 -2.57 116.94 117.02 1xyb h PHE 819 Ca 0.08 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1xyb h PHE 819 Cb 0.34 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 1xyb h PHE 819 CO 0.01 -0.34 -0.12 0.00 -2.23 0.00 0.00 178.31 175.63 1xyb h ARG 820 N -0.82 0.00 0.00 1.11 2.47 -1.19 -2.64 114.38 113.31 1xyb h ARG 820 Ca -0.07 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1xyb h ARG 820 Cb 0.58 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 1xyb h ARG 820 CO 0.12 0.12 -0.05 0.00 0.56 0.00 0.00 179.97 180.71 1xyb n ALA 821 N -2.28 2.37 -2.56 0.04 0.00 -0.55 -4.74 120.51 112.78 1xyb n ALA 821 Ca -0.02 -0.07 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 1xyb n ALA 821 Cb 0.23 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 1xyb n ALA 821 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xyb s ASP 822 N -3.97 7.07 0.37 0.00 -1.08 -0.99 -4.91 116.67 113.16 1xyb s ASP 822 Ca 0.11 1.57 0.09 0.00 -0.52 0.00 0.00 52.55 53.81 1xyb s ASP 822 Cb 0.15 -2.55 0.82 0.00 -1.46 0.00 0.00 42.92 39.89 1xyb s ASP 822 CO 0.59 -0.64 1.92 -0.65 0.52 0.00 0.00 175.17 176.91 1xyb h PRO 823 N 7.61 0.65 -0.20 4.34 0.11 -1.89 0.15 132.00 142.76 1xyb h PRO 823 Ca -0.26 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.73 1xyb h PRO 823 Cb 1.11 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1xyb h PRO 823 CO 0.94 0.43 -0.24 1.49 -0.21 0.00 0.00 178.00 180.41 1xyb h GLU 824 N 0.67 0.37 -0.22 1.05 4.81 -1.95 -0.03 114.58 119.28 1xyb h GLU 824 Ca 0.37 -0.13 -0.21 0.00 -0.13 0.00 0.00 59.36 59.26 1xyb h GLU 824 Cb 0.51 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.87 1xyb h GLU 824 CO -0.14 0.59 -0.67 0.28 -0.73 0.00 0.00 179.01 178.34 1xyb h VAL 825 N 0.34 1.27 -0.88 0.32 2.07 -1.07 -1.73 116.25 116.57 1xyb h VAL 825 Ca 0.05 -1.86 -0.01 0.00 0.82 0.00 0.00 66.70 65.71 1xyb h VAL 825 Cb 0.60 1.82 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 1xyb h VAL 825 CO 0.04 0.60 0.51 1.56 0.02 0.00 0.00 177.57 180.30 1xyb h GLN 826 N 0.60 1.21 -0.46 1.57 4.20 -0.76 0.16 115.11 121.64 1xyb h GLN 826 Ca -0.02 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.47 1xyb h GLN 826 Cb 1.29 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 1xyb h GLN 826 CO 0.14 0.86 -0.08 1.49 -0.67 0.00 0.00 178.83 180.58 1xyb h GLU 827 N 1.22 0.86 -0.48 1.46 4.81 -1.00 -2.79 114.58 118.65 1xyb h GLU 827 Ca 0.31 -0.31 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1xyb h GLU 827 Cb -0.02 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1xyb h GLU 827 CO -0.06 0.95 0.04 0.00 -0.73 0.00 0.00 179.01 179.21 1xyb h ALA 828 N 0.88 1.16 -0.39 2.92 0.00 -0.49 -1.63 119.26 121.72 1xyb h ALA 828 Ca 0.12 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1xyb h ALA 828 Cb 0.61 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1xyb h ALA 828 CO 0.04 0.55 -0.03 -0.07 0.00 0.00 0.00 179.25 179.74 1xyb h LEU 829 N 0.74 0.60 -0.54 0.00 3.38 -0.53 -1.43 115.31 117.52 1xyb h LEU 829 Ca 0.15 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1xyb h LEU 829 Cb 0.39 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1xyb h LEU 829 CO 0.01 0.69 -0.29 0.03 0.09 0.00 0.00 178.44 178.96 1xyb h ARG 830 N 0.59 0.86 -0.13 1.13 3.08 -1.22 -1.56 114.38 117.13 1xyb h ARG 830 Ca 0.12 -0.40 -0.05 0.00 0.07 0.00 0.00 59.98 59.72 1xyb h ARG 830 Cb 0.41 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1xyb h ARG 830 CO 0.02 1.04 -0.14 0.00 -1.07 0.00 0.00 179.97 179.82 1xyb h ALA 831 N 0.93 1.53 -0.18 0.04 0.00 -0.92 -1.67 119.26 118.98 1xyb h ALA 831 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xyb h ALA 831 Cb 0.85 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1xyb h ALA 831 CO 0.07 0.34 0.00 0.43 0.00 0.00 0.00 179.25 180.09 1xyb n SER 832 N -4.28 1.76 -3.42 0.00 7.64 -0.57 -4.76 113.62 109.99 1xyb n SER 832 Ca -0.01 -1.73 -0.23 0.00 1.01 0.00 0.00 58.87 57.91 1xyb n SER 832 Cb 0.27 -0.12 0.07 0.00 -1.01 0.00 0.00 64.21 63.42 1xyb n SER 832 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xyb n ARG 833 N 0.39 -7.20 0.20 1.43 3.00 -0.63 -4.91 116.66 108.94 1xyb n ARG 833 Ca 0.16 0.83 0.08 0.00 -0.01 0.00 0.00 57.85 58.91 1xyb n ARG 833 Cb 0.34 -5.81 0.36 0.00 0.00 0.00 0.00 32.46 27.35 1xyb n ARG 833 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1xyb h LEU 834 N -2.38 0.00 -0.78 0.55 3.38 -1.54 -2.58 115.31 111.95 1xyb h LEU 834 Ca -0.55 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.35 1xyb h LEU 834 Cb 1.36 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.09 1xyb h LEU 834 CO 0.55 0.30 0.13 -2.24 0.09 0.00 0.00 178.44 177.28 1xyb h ASP 835 N 0.00 1.00 0.77 -0.43 2.03 -1.89 -2.81 116.42 115.09 1xyb h ASP 835 Ca -0.00 -0.22 -0.04 0.00 -0.73 0.00 0.00 57.03 56.04 1xyb h ASP 835 Cb 0.87 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 39.11 1xyb h ASP 835 CO 0.04 0.98 -0.19 -0.33 -1.03 0.00 0.00 179.24 178.70 1xyb h GLU 836 N 1.00 0.00 -0.01 4.15 5.08 -1.85 -2.47 114.58 120.48 1xyb h GLU 836 Ca 0.20 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.51 1xyb h GLU 836 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1xyb h GLU 836 CO 0.01 0.19 -0.25 1.25 -1.00 0.00 0.00 179.01 179.21 1xyb h LEU 837 N 0.00 0.02 -0.26 1.33 5.85 -1.22 -2.62 115.31 118.40 1xyb h LEU 837 Ca -0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1xyb h LEU 837 Cb 0.63 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1xyb h LEU 837 CO 0.03 0.27 0.00 0.00 -0.34 0.00 0.00 178.44 178.40 1xyb h ALA 838 N 1.73 1.00 -2.61 1.25 0.00 -1.44 -3.44 119.26 115.74 1xyb h ALA 838 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 1xyb h ALA 838 Cb 0.46 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1xyb h ALA 838 CO 0.03 0.00 0.56 -0.65 0.00 0.00 0.00 179.25 179.20 1xyb s GLN 839 N -3.24 4.47 0.27 0.00 -0.21 -0.99 -5.01 119.66 114.95 1xyb s GLN 839 Ca 0.07 1.86 -0.30 0.00 0.02 0.00 0.00 55.36 57.01 1xyb s GLN 839 Cb 0.09 -3.27 -0.13 0.00 1.00 0.00 0.00 33.01 30.70 1xyb s GLN 839 CO 0.60 -0.14 1.37 -2.30 -2.12 0.00 0.00 175.29 172.69 1xyb n PRO 840 N 2.91 2.04 -0.05 2.91 -0.02 -1.26 -4.94 135.00 136.59 1xyb n PRO 840 Ca 0.06 0.72 -0.10 0.00 -2.02 0.00 0.00 63.50 62.17 1xyb n PRO 840 Cb 0.45 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 1xyb n PRO 840 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1xyb h THR 841 N 2.89 1.04 -1.02 3.45 2.02 -1.94 -3.39 112.91 115.96 1xyb h THR 841 Ca -0.45 -0.10 -0.39 0.00 0.77 0.00 0.00 66.41 66.24 1xyb h THR 841 Cb 1.28 0.73 -0.26 0.00 -1.74 0.00 0.00 68.15 68.15 1xyb h THR 841 CO 0.72 0.05 -0.80 0.00 0.37 0.00 0.00 175.52 175.87 1xyb n ALA 842 N -2.17 0.49 0.16 6.16 0.00 -1.26 -4.91 120.51 118.98 1xyb n ALA 842 Ca -0.03 -2.38 0.01 0.00 0.00 0.00 0.00 53.44 51.05 1xyb n ALA 842 Cb 0.03 -1.08 0.24 0.00 0.00 0.00 0.00 19.45 18.64 1xyb n ALA 842 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xyb h ALA 843 N 4.05 1.00 0.00 0.00 0.00 -1.99 -2.52 119.26 119.80 1xyb h ALA 843 Ca -0.03 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1xyb h ALA 843 Cb 0.96 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1xyb h ALA 843 CO 0.39 0.65 0.06 0.38 0.00 0.00 0.00 179.25 180.72 1xyb h ASP 844 N 0.00 0.00 -4.78 0.00 2.03 -1.95 -3.48 116.42 108.25 1xyb h ASP 844 Ca -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 1xyb h ASP 844 Cb 1.01 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.51 1xyb h ASP 844 CO 0.07 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.89 1xyb n GLY 845 N -1.23 0.55 0.15 7.15 0.00 -0.95 -4.46 105.19 106.40 1xyb n GLY 845 Ca -0.02 -1.90 -0.08 0.00 0.00 0.00 0.00 46.02 44.03 1xyb n GLY 845 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xyb h VAL 846 N 0.00 1.00 -0.06 1.61 2.07 -1.93 -1.58 116.25 117.37 1xyb h VAL 846 Ca 0.00 -0.12 -0.14 0.00 0.82 0.00 0.00 66.70 67.26 1xyb h VAL 846 Cb 0.00 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1xyb h VAL 846 CO 0.00 0.06 -0.61 1.56 0.02 0.00 0.00 177.57 178.60 1xyb h GLN 847 N 0.34 0.20 -0.47 1.57 7.50 -1.99 -0.56 115.11 121.71 1xyb h GLN 847 Ca 0.13 -0.14 -0.09 0.00 0.50 0.00 0.00 58.65 59.06 1xyb h GLN 847 Cb 0.03 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.57 1xyb h GLN 847 CO -0.08 0.75 -0.05 0.93 -1.50 0.00 0.00 178.83 178.87 1xyb h GLU 848 N 0.15 0.86 -0.41 1.46 4.39 -1.76 -0.96 114.58 118.30 1xyb h GLU 848 Ca -0.01 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1xyb h GLU 848 Cb 1.11 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.68 1xyb h GLU 848 CO 0.09 0.93 0.27 1.25 -1.16 0.00 0.00 179.01 180.39 1xyb h LEU 849 N 0.70 0.47 -1.73 1.33 5.85 -1.00 -1.04 115.31 119.89 1xyb h LEU 849 Ca 0.13 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1xyb h LEU 849 Cb 0.58 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1xyb h LEU 849 CO 0.03 0.34 0.04 -0.07 -0.34 0.00 0.00 178.44 178.45 1xyb h LEU 850 N 0.55 0.19 0.00 2.25 3.38 -0.89 -1.60 115.31 119.19 1xyb h LEU 850 Ca 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1xyb h LEU 850 Cb -0.06 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1xyb h LEU 850 CO -0.03 0.19 -0.28 0.00 0.09 0.00 0.00 178.44 178.41 1xyb n ALA 851 N -2.51 2.90 -2.61 1.53 0.00 -0.39 -4.77 120.51 114.67 1xyb n ALA 851 Ca -0.01 -0.21 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 1xyb n ALA 851 Cb 0.13 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.26 1xyb n ALA 851 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xyb s ASP 852 N -3.26 6.28 0.49 0.00 2.15 -0.42 -4.87 116.67 117.03 1xyb s ASP 852 Ca 0.12 -0.32 0.23 0.00 0.43 0.00 0.00 52.55 53.01 1xyb s ASP 852 Cb 0.17 -2.53 1.27 0.00 -0.30 0.00 0.00 42.92 41.54 1xyb s ASP 852 CO 0.63 -1.60 2.03 0.03 -0.17 0.00 0.00 175.17 176.09 1xyb h ARG 853 N 9.73 0.00 0.00 4.34 3.08 -1.86 -1.96 114.38 127.71 1xyb h ARG 853 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1xyb h ARG 853 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1xyb h ARG 853 CO 1.21 0.16 0.00 0.25 -1.07 0.00 0.00 179.97 180.52 1xyb n THR 854 N -3.84 0.74 0.73 2.04 -2.24 -1.26 -0.04 114.28 110.41 1xyb n THR 854 Ca -0.02 0.10 0.13 0.00 -2.27 0.00 0.00 64.05 61.98 1xyb n THR 854 Cb 0.26 -0.96 0.32 0.00 -2.10 0.00 0.00 70.33 67.85 1xyb n THR 854 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xyb n ALA 855 N -1.72 2.76 -0.64 6.98 0.00 -0.74 -3.64 120.51 123.52 1xyb n ALA 855 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1xyb n ALA 855 Cb 0.28 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1xyb n ALA 855 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xyb n PHE 856 N -1.95 -0.50 0.27 0.00 7.35 -1.00 -4.81 117.46 116.82 1xyb n PHE 856 Ca 0.05 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.87 1xyb n PHE 856 Cb 0.40 0.18 0.77 0.00 0.35 0.00 0.00 39.48 41.19 1xyb n PHE 856 CO 0.00 0.00 0.00 1.05 -0.76 0.00 0.00 176.76 177.05 1xyb h GLU 857 N 0.00 0.00 -0.14 -4.13 9.09 -1.75 -1.94 114.58 115.70 1xyb h GLU 857 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1xyb h GLU 857 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1xyb h GLU 857 CO 0.00 0.08 0.00 -0.25 0.05 0.00 0.00 179.01 178.89 1xyb n ASP 858 N -3.78 2.89 -4.69 3.06 8.00 0.94 -5.00 116.55 117.97 1xyb n ASP 858 Ca -0.02 -2.69 -0.42 0.00 0.71 0.00 0.00 54.79 52.37 1xyb n ASP 858 Cb 0.18 -0.36 -0.03 0.00 -0.02 0.00 0.00 41.12 40.90 1xyb n ASP 858 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1xyb s PHE 859 N -2.21 3.18 -0.83 1.24 5.36 -0.73 -4.81 117.98 119.18 1xyb s PHE 859 Ca 0.28 1.16 -0.21 0.00 -0.96 0.00 0.00 56.93 57.20 1xyb s PHE 859 Cb 0.22 -3.47 0.09 0.00 -0.34 0.00 0.00 43.02 39.53 1xyb s PHE 859 CO 0.07 -1.52 1.11 0.34 -1.46 0.00 0.00 175.22 173.75 1xyb s ASP 860 N 1.46 6.42 0.40 6.13 -1.08 -1.26 -4.85 116.67 123.89 1xyb s ASP 860 Ca 0.58 -1.51 0.16 0.00 -0.52 0.00 0.00 52.55 51.26 1xyb s ASP 860 Cb -0.27 -2.43 0.86 0.00 -1.46 0.00 0.00 42.92 39.62 1xyb s ASP 860 CO 0.24 -1.29 1.87 1.62 0.52 0.00 0.00 175.17 178.13 1xyb h VAL 861 N 6.01 1.07 0.00 1.11 3.04 -1.96 -2.53 116.25 123.00 1xyb h VAL 861 Ca -0.02 -1.14 -0.21 0.00 -1.01 0.00 0.00 66.70 64.32 1xyb h VAL 861 Cb 1.04 1.64 -0.03 0.00 -2.01 0.00 0.00 31.29 31.93 1xyb h VAL 861 CO 1.18 0.31 -1.08 0.44 -1.01 0.00 0.00 177.57 177.41 1xyb h ASP 862 N 0.00 0.00 -0.26 3.17 3.32 -1.98 -0.83 116.42 119.84 1xyb h ASP 862 Ca -0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 1xyb h ASP 862 Cb 0.62 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 1xyb h ASP 862 CO 0.04 0.90 -0.31 0.00 -1.72 0.00 0.00 179.24 178.15 1xyb h ALA 863 N 1.10 0.39 -0.54 3.45 0.00 -1.93 -2.50 119.26 119.23 1xyb h ALA 863 Ca -0.07 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 1xyb h ALA 863 Cb 1.75 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 1xyb h ALA 863 CO 0.11 0.42 0.13 0.00 0.00 0.00 0.00 179.25 179.90 1xyb h ALA 864 N 0.68 0.71 -0.05 0.00 0.00 -1.47 -2.91 119.26 116.22 1xyb h ALA 864 Ca 0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1xyb h ALA 864 Cb 0.88 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1xyb h ALA 864 CO 0.07 0.42 0.02 0.00 0.00 0.00 0.00 179.25 179.76 1xyb h ALA 865 N 1.01 1.94 0.00 0.00 0.00 -1.14 -2.25 119.26 118.82 1xyb h ALA 865 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xyb h ALA 865 Cb 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xyb h ALA 865 CO 0.00 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1xyb n ALA 866 N -2.53 2.14 -2.66 0.00 0.00 -0.94 -4.80 120.51 111.72 1xyb n ALA 866 Ca -0.02 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 1xyb n ALA 866 Cb 0.10 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.09 1xyb n ALA 866 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xyb s ARG 867 N -3.09 4.42 0.42 0.00 0.52 -0.85 -5.02 118.95 115.36 1xyb s ARG 867 Ca 0.10 1.43 -0.22 0.00 -0.52 0.00 0.00 55.73 56.53 1xyb s ARG 867 Cb 0.14 -3.54 -0.10 0.00 0.52 0.00 0.00 34.95 31.97 1xyb s ARG 867 CO 0.51 -0.31 0.99 0.20 0.02 0.00 0.00 175.30 176.70 1xyb s GLY 868 N 1.14 2.55 0.06 -3.53 0.00 -1.26 -4.96 107.32 101.31 1xyb s GLY 868 Ca 0.50 0.52 0.28 0.00 0.00 0.00 0.00 44.72 46.02 1xyb s GLY 868 CO 0.19 0.86 1.86 1.03 0.00 0.00 0.00 173.10 177.05 1xyb n MET 869 N -0.42 0.08 -2.83 2.90 0.00 -1.26 -4.93 117.12 110.66 1xyb n MET 869 Ca 0.06 0.06 -0.17 0.00 0.00 0.00 0.00 57.70 57.65 1xyb n MET 869 Cb 0.52 -1.59 -0.00 0.00 0.00 0.00 0.00 33.22 32.15 1xyb n MET 869 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xyb n ALA 870 N -1.59 -0.90 0.13 3.04 0.00 -1.26 -4.13 120.51 115.81 1xyb n ALA 870 Ca 0.06 0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.63 1xyb n ALA 870 Cb 0.37 -2.21 0.08 0.00 0.00 0.00 0.00 19.45 17.69 1xyb n ALA 870 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1xyb h PHE 871 N -0.49 0.00 -0.18 0.00 0.04 -1.96 -3.14 116.94 111.21 1xyb h PHE 871 Ca -0.37 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.21 1xyb h PHE 871 Cb 1.26 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.41 1xyb h PHE 871 CO 0.67 0.59 -0.65 0.93 -0.60 0.00 0.00 178.31 179.25 1xyb h GLU 872 N 0.00 0.76 -0.56 1.51 4.39 -1.98 -1.47 114.58 117.23 1xyb h GLU 872 Ca -0.01 -0.58 0.02 0.00 0.34 0.00 0.00 59.36 59.14 1xyb h GLU 872 Cb 1.33 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 30.05 1xyb h GLU 872 CO 0.08 1.19 0.34 -0.09 -1.16 0.00 0.00 179.01 179.37 1xyb h ARG 873 N 0.49 0.67 -0.43 2.33 2.43 -1.98 -0.03 114.38 117.86 1xyb h ARG 873 Ca -0.03 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1xyb h ARG 873 Cb 1.27 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 1xyb h ARG 873 CO 0.14 0.44 0.27 1.25 -1.51 0.00 0.00 179.97 180.55 1xyb h LEU 874 N 0.69 0.50 -1.14 3.80 5.85 -1.51 -1.41 115.31 122.09 1xyb h LEU 874 Ca 0.22 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 1xyb h LEU 874 Cb -0.00 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1xyb h LEU 874 CO -0.09 0.39 -0.43 -0.78 -0.34 0.00 0.00 178.44 177.20 1xyb h ASP 875 N 0.57 0.00 0.66 1.25 3.58 -0.92 -1.92 116.42 119.63 1xyb h ASP 875 Ca 0.15 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.44 1xyb h ASP 875 Cb -0.03 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 1xyb h ASP 875 CO -0.03 0.43 -0.75 -0.61 -2.88 0.00 0.00 179.24 175.40 1xyb h GLN 876 N 0.00 0.07 -0.32 0.28 5.75 -0.60 -0.66 115.11 119.64 1xyb h GLN 876 Ca -0.00 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.36 1xyb h GLN 876 Cb 0.77 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.32 1xyb h GLN 876 CO 0.06 0.79 -0.08 -0.07 -2.65 0.00 0.00 178.83 176.88 1xyb h LEU 877 N 0.05 0.50 -0.54 -2.39 3.38 -0.91 -0.27 115.31 115.12 1xyb h LEU 877 Ca -0.02 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 1xyb h LEU 877 Cb 1.33 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1xyb h LEU 877 CO 0.10 0.63 -0.33 0.00 0.09 0.00 0.00 178.44 178.93 1xyb h ALA 878 N 1.43 0.73 -0.23 1.53 0.00 -1.01 -1.90 119.26 119.80 1xyb h ALA 878 Ca 0.10 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1xyb h ALA 878 Cb 0.44 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1xyb h ALA 878 CO 0.02 0.66 0.10 1.98 0.00 0.00 0.00 179.25 182.01 1xyb h MET 879 N 0.68 0.34 -0.89 0.00 1.85 -0.79 -1.48 114.93 114.65 1xyb h MET 879 Ca 0.07 -0.06 0.06 0.00 -0.61 0.00 0.00 59.70 59.17 1xyb h MET 879 Cb 0.88 -0.06 -0.06 0.00 0.43 0.00 0.00 31.60 32.79 1xyb h MET 879 CO 0.08 0.37 0.56 -0.44 -0.40 0.00 0.00 176.91 177.08 1xyb h ASP 880 N 0.23 0.88 -0.27 1.39 3.32 -0.95 -0.81 116.42 120.21 1xyb h ASP 880 Ca 0.08 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 1xyb h ASP 880 Cb 0.15 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1xyb h ASP 880 CO -0.01 0.56 -0.18 0.45 -1.72 0.00 0.00 179.24 178.34 1xyb h HIS 881 N 1.01 0.70 -0.57 4.55 3.86 -1.21 0.36 115.15 123.85 1xyb h HIS 881 Ca 0.39 -0.19 0.02 0.00 -1.16 0.00 0.00 60.37 59.44 1xyb h HIS 881 Cb 0.18 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.46 1xyb h HIS 881 CO -0.03 0.87 0.35 1.25 0.86 0.00 0.00 177.93 181.24 1xyb h LEU 882 N 0.33 0.57 -0.16 2.43 5.85 -0.97 -2.34 115.31 121.02 1xyb h LEU 882 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1xyb h LEU 882 Cb 0.72 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1xyb h LEU 882 CO 0.05 0.40 -0.01 0.18 -0.34 0.00 0.00 178.44 178.72 1xyb n LEU 883 N -4.75 0.26 -1.16 2.25 4.77 -0.33 -4.90 117.00 113.14 1xyb n LEU 883 Ca 0.05 -0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1xyb n LEU 883 Cb 0.07 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1xyb n LEU 883 CO 0.33 0.04 -0.13 0.61 -1.33 0.00 0.00 177.39 176.91 1xyb n GLY 884 N 1.07 0.48 0.98 -0.72 0.00 -0.56 -4.89 105.19 101.54 1xyb n GLY 884 Ca 0.22 -0.43 0.02 0.00 0.00 0.00 0.00 46.02 45.83 1xyb n GLY 884 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyb n ALA 885 N -0.39 2.98 0.00 4.61 0.00 0.12 -5.00 120.51 122.82 1xyb n ALA 885 Ca -0.13 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1xyb n ALA 885 Cb 0.51 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1xyb n ALA 885 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39