#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b1x n VAL 514 N 0.00 -0.21 0.00 5.15 0.24 -1.26 -4.99 118.33 117.26 2b1x n VAL 514 Ca 0.00 0.36 0.00 0.00 -2.04 0.00 0.00 64.34 62.66 2b1x n VAL 514 Cb 0.00 -0.61 0.00 0.00 -1.47 0.00 0.00 33.84 31.76 2b1x n VAL 514 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2b1x n SER 515 N -3.34 0.00 0.00 -1.34 7.64 -1.26 -4.83 113.62 110.49 2b1x n SER 515 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 2b1x n SER 515 Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 2b1x n SER 515 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2b1x n ASP 516 N 0.00 0.00 -0.01 6.43 -0.08 -1.26 -4.30 116.55 117.33 2b1x n ASP 516 Ca 0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 2b1x n ASP 516 Cb 0.00 0.00 0.28 0.00 2.34 0.00 0.00 41.12 43.74 2b1x n ASP 516 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2b1x h THR 517 N 0.00 1.20 -0.45 5.18 2.02 -2.01 -2.92 112.91 115.94 2b1x h THR 517 Ca 0.00 -0.82 -0.05 0.00 0.77 0.00 0.00 66.41 66.31 2b1x h THR 517 Cb 0.00 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 2b1x h THR 517 CO 0.00 0.28 0.09 0.74 0.37 0.00 0.00 175.52 177.00 2b1x h THR 518 N 0.53 1.24 -0.48 3.16 2.02 -2.00 -1.98 112.91 115.40 2b1x h THR 518 Ca 0.11 -0.85 0.07 0.00 0.77 0.00 0.00 66.41 66.51 2b1x h THR 518 Cb 0.35 0.94 -0.06 0.00 -1.74 0.00 0.00 68.15 67.64 2b1x h THR 518 CO 0.01 0.30 0.15 0.58 0.37 0.00 0.00 175.52 176.93 2b1x h VAL 519 N 0.60 0.80 0.17 3.16 2.07 -1.83 0.23 116.25 121.44 2b1x h VAL 519 Ca 0.14 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.56 2b1x h VAL 519 Cb 0.35 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2b1x h VAL 519 CO 0.00 0.06 -0.20 -0.09 0.02 0.00 0.00 177.57 177.36 2b1x h ARG 520 N 0.31 -0.40 -0.23 1.57 2.43 -1.37 0.66 114.38 117.35 2b1x h ARG 520 Ca 0.23 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.45 2b1x h ARG 520 Cb 0.27 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 2b1x h ARG 520 CO -0.26 -0.27 0.08 0.93 -1.51 0.00 0.00 179.97 178.95 2b1x h GLU 521 N -0.41 0.19 -0.63 0.20 5.08 -0.99 0.91 114.58 118.92 2b1x h GLU 521 Ca 0.01 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2b1x h GLU 521 Cb 0.40 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 2b1x h GLU 521 CO -0.07 0.12 0.30 0.82 -1.00 0.00 0.00 179.01 179.19 2b1x h ILE 522 N 0.19 1.22 -0.31 3.13 2.04 -0.87 0.73 117.51 123.64 2b1x h ILE 522 Ca 0.10 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 2b1x h ILE 522 Cb 0.06 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2b1x h ILE 522 CO -0.10 0.25 0.11 0.74 0.00 0.00 0.00 178.15 179.16 2b1x h THR 523 N 0.86 1.19 -0.64 -0.27 2.02 -0.46 -0.92 112.91 114.69 2b1x h THR 523 Ca 0.22 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 2b1x h THR 523 Cb 0.12 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 2b1x h THR 523 CO -0.03 0.20 0.29 -0.33 0.37 0.00 0.00 175.52 176.02 2b1x h GLU 524 N 0.34 0.91 -0.62 6.66 5.08 -0.73 -1.92 114.58 124.30 2b1x h GLU 524 Ca 0.10 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2b1x h GLU 524 Cb 0.20 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 2b1x h GLU 524 CO -0.01 0.72 0.39 2.35 -1.00 0.00 0.00 179.01 181.46 2b1x h TRP 525 N 0.90 0.73 -0.52 4.33 7.01 -0.38 -0.20 115.95 127.83 2b1x h TRP 525 Ca 0.22 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.16 2b1x h TRP 525 Cb 0.12 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 26.92 2b1x h TRP 525 CO 0.01 0.43 -0.01 -0.07 -2.79 0.00 0.00 178.44 176.00 2b1x h LEU 526 N 0.77 0.85 -0.32 0.65 3.38 -0.51 -0.49 115.31 119.65 2b1x h LEU 526 Ca 0.25 -0.23 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 2b1x h LEU 526 Cb -0.00 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.52 2b1x h LEU 526 CO -0.09 0.93 -0.66 1.88 0.09 0.00 0.00 178.44 180.59 2b1x h TYR 527 N 0.81 0.91 -0.43 1.13 0.99 -1.20 -1.71 116.97 117.47 2b1x h TYR 527 Ca 0.15 -0.36 -0.01 0.00 2.00 0.00 0.00 58.73 60.51 2b1x h TYR 527 Cb 0.50 -0.16 -0.02 0.00 1.00 0.00 0.00 36.73 38.06 2b1x h TYR 527 CO 0.03 1.16 0.24 1.98 -0.00 0.00 0.00 178.16 181.57 2b1x h MET 528 N 0.51 0.60 -0.16 4.88 4.05 -0.81 -1.58 114.93 122.42 2b1x h MET 528 Ca -0.02 -0.07 0.02 0.00 -0.28 0.00 0.00 59.70 59.36 2b1x h MET 528 Cb 1.25 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.91 2b1x h MET 528 CO 0.13 0.47 0.01 1.49 0.23 0.00 0.00 176.91 179.24 2b1x h GLU 529 N 0.56 0.06 -0.82 0.39 4.81 -1.06 -1.55 114.58 116.97 2b1x h GLU 529 Ca 0.15 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.42 2b1x h GLU 529 Cb 0.05 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 2b1x h GLU 529 CO -0.02 0.04 0.52 0.00 -0.73 0.00 0.00 179.01 178.81 2b1x h ALA 530 N 1.13 1.08 -0.24 2.92 0.00 -1.24 -2.23 119.26 120.69 2b1x h ALA 530 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2b1x h ALA 530 Cb 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2b1x h ALA 530 CO -0.12 0.33 0.11 1.49 0.00 0.00 0.00 179.25 181.06 2b1x h GLU 531 N 1.00 0.34 -0.48 0.00 4.81 -1.00 -0.70 114.58 118.56 2b1x h GLU 531 Ca 0.33 -0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.58 2b1x h GLU 531 Cb 0.04 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.29 2b1x h GLU 531 CO -0.12 0.35 0.12 -0.07 -0.73 0.00 0.00 179.01 178.56 2b1x h LEU 532 N 0.25 0.06 -0.21 1.64 3.38 -1.09 -1.53 115.31 117.80 2b1x h LEU 532 Ca 0.08 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2b1x h LEU 532 Cb 0.12 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2b1x h LEU 532 CO -0.01 0.06 0.08 -0.07 0.09 0.00 0.00 178.44 178.59 2b1x h LEU 533 N 0.26 0.30 -0.85 1.67 4.07 -1.02 -0.23 115.31 119.51 2b1x h LEU 533 Ca 0.23 -0.18 0.00 0.00 0.08 0.00 0.00 57.88 58.02 2b1x h LEU 533 Cb 0.29 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.95 2b1x h LEU 533 CO -0.29 0.40 0.00 0.47 -1.08 0.00 0.00 178.44 177.94 2b1x n ASP 534 N -4.81 0.55 -1.01 -0.43 8.00 -0.30 -1.54 116.55 117.01 2b1x n ASP 534 Ca -0.04 0.68 0.12 0.00 0.71 0.00 0.00 54.79 56.26 2b1x n ASP 534 Cb 0.13 -0.78 0.13 0.00 -0.02 0.00 0.00 41.12 40.59 2b1x n ASP 534 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2b1x n ALA 535 N -1.74 2.45 -1.85 2.24 0.00 -0.59 -4.78 120.51 116.23 2b1x n ALA 535 Ca 0.01 -0.78 -0.12 0.00 0.00 0.00 0.00 53.44 52.55 2b1x n ALA 535 Cb 0.15 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 2b1x n ALA 535 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b1x n GLY 536 N 1.39 0.48 2.75 0.00 0.00 -0.59 -4.93 105.19 104.28 2b1x n GLY 536 Ca 0.15 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 2b1x n GLY 536 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2b1x n LYS 537 N -2.36 4.00 -0.15 1.61 5.02 -0.16 -4.76 118.16 121.36 2b1x n LYS 537 Ca -0.13 -3.57 -0.12 0.00 -2.02 0.00 0.00 58.31 52.47 2b1x n LYS 537 Cb 0.52 -2.80 -0.01 0.00 -0.02 0.00 0.00 35.03 32.71 2b1x n LYS 537 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2b1x h TYR 538 N 5.34 1.06 -0.52 2.13 -1.99 -1.92 -0.69 116.97 120.38 2b1x h TYR 538 Ca 0.48 -0.26 -0.02 0.00 2.00 0.00 0.00 58.73 60.93 2b1x h TYR 538 Cb 0.52 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 38.98 2b1x h TYR 538 CO 1.35 1.06 0.23 -0.09 -0.00 0.00 0.00 178.16 180.71 2b1x h ARG 539 N 0.75 0.76 -0.63 4.88 9.65 -1.94 0.15 114.38 128.00 2b1x h ARG 539 Ca 0.10 -0.12 -0.09 0.00 -1.10 0.00 0.00 59.98 58.77 2b1x h ARG 539 Cb 0.77 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.20 2b1x h ARG 539 CO 0.06 0.65 0.06 0.93 2.80 0.00 0.00 179.97 184.47 2b1x h GLU 540 N 0.69 1.07 -0.57 0.20 5.08 -1.90 -2.68 114.58 116.47 2b1x h GLU 540 Ca 0.17 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 2b1x h GLU 540 Cb 0.16 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2b1x h GLU 540 CO -0.02 1.01 0.11 2.35 -1.00 0.00 0.00 179.01 181.46 2b1x h TRP 541 N 0.99 0.94 -0.27 4.33 7.01 -0.55 -2.66 115.95 125.74 2b1x h TRP 541 Ca 0.19 -0.10 0.03 0.00 2.11 0.00 0.00 58.89 61.12 2b1x h TRP 541 Cb 0.49 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.26 2b1x h TRP 541 CO 0.03 0.80 0.18 1.25 -2.79 0.00 0.00 178.44 177.92 2b1x h LEU 542 N 0.86 0.21 -1.55 0.65 5.85 -0.39 -0.68 115.31 120.27 2b1x h LEU 542 Ca 0.18 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2b1x h LEU 542 Cb 0.35 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.33 2b1x h LEU 542 CO 0.00 0.14 0.00 0.00 -0.34 0.00 0.00 178.44 178.25 2b1x h ALA 543 N 1.85 1.00 -0.00 1.25 0.00 -1.34 -2.82 119.26 119.19 2b1x h ALA 543 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2b1x h ALA 543 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2b1x h ALA 543 CO -0.02 0.00 -0.22 1.28 0.00 0.00 0.00 179.25 180.29 2b1x n LEU 544 N -2.45 0.63 -4.87 0.00 4.77 -0.26 -4.90 117.00 109.91 2b1x n LEU 544 Ca -0.01 -0.05 -0.26 0.00 -0.03 0.00 0.00 56.01 55.67 2b1x n LEU 544 Cb 0.10 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 2b1x n LEU 544 CO 0.15 0.12 -0.16 0.68 -1.33 0.00 0.00 177.39 176.86 2b1x s VAL 545 N -2.62 4.86 0.41 4.08 -7.23 -1.07 -0.36 120.40 118.48 2b1x s VAL 545 Ca 0.23 -0.94 -0.05 0.00 -1.81 0.00 0.00 61.98 59.40 2b1x s VAL 545 Cb 0.19 -3.51 -0.04 0.00 0.56 0.00 0.00 36.38 33.58 2b1x s VAL 545 CO 0.53 -0.13 0.71 0.28 -0.31 0.00 0.00 175.10 176.18 2b1x s THR 546 N -1.79 4.93 0.41 5.32 -1.32 -0.34 -4.84 115.64 118.02 2b1x s THR 546 Ca 0.33 0.16 0.09 0.00 -1.21 0.00 0.00 61.69 61.06 2b1x s THR 546 Cb -0.10 -3.81 0.22 0.00 -1.51 0.00 0.00 72.50 67.30 2b1x s THR 546 CO 0.26 -0.65 2.01 -0.33 -2.21 0.00 0.00 174.62 173.71 2b1x h GLU 547 N 0.77 0.36 -0.84 7.08 3.07 -1.97 -2.12 114.58 120.94 2b1x h GLU 547 Ca -0.48 -0.04 -0.26 0.00 -0.50 0.00 0.00 59.36 58.08 2b1x h GLU 547 Cb 1.20 -0.07 -0.15 0.00 -0.84 0.00 0.00 28.75 28.89 2b1x h GLU 547 CO 0.63 0.32 0.33 -0.40 -1.40 0.00 0.00 179.01 178.49 2b1x n ASP 548 N -4.41 4.33 -4.55 1.42 5.75 -1.26 -4.54 116.55 113.29 2b1x n ASP 548 Ca 0.01 -3.16 -0.50 0.00 -0.01 0.00 0.00 54.79 51.13 2b1x n ASP 548 Cb 0.14 -0.74 -0.04 0.00 -1.03 0.00 0.00 41.12 39.45 2b1x n ASP 548 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2b1x n LEU 549 N -0.30 1.08 -4.04 -2.12 7.94 -0.80 -4.88 117.00 113.88 2b1x n LEU 549 Ca 0.40 1.14 -0.30 0.00 -1.11 0.00 0.00 56.01 56.15 2b1x n LEU 549 Cb 1.34 -1.15 -0.16 0.00 0.53 0.00 0.00 43.42 43.97 2b1x n LEU 549 CO 0.43 -1.53 -0.49 -0.55 -1.11 0.00 0.00 177.39 174.14 2b1x s SER 550 N -0.09 2.69 -0.24 1.96 0.15 -0.59 -3.77 113.70 113.82 2b1x s SER 550 Ca 0.75 -0.49 0.01 0.00 0.70 0.00 0.00 55.95 56.92 2b1x s SER 550 Cb -0.91 -1.20 0.06 0.00 -1.71 0.00 0.00 66.02 62.26 2b1x s SER 550 CO 0.53 -0.03 -0.07 -0.47 1.20 0.00 0.00 173.24 174.40 2b1x s TYR 551 N 1.34 2.63 0.03 3.44 5.04 -0.53 -0.75 117.35 128.55 2b1x s TYR 551 Ca 0.02 -1.91 0.04 0.00 -2.44 0.00 0.00 57.07 52.78 2b1x s TYR 551 Cb -0.13 -1.67 -0.02 0.00 0.35 0.00 0.00 41.96 40.49 2b1x s TYR 551 CO -0.09 -0.80 -0.11 0.14 -1.34 0.00 0.00 175.55 173.35 2b1x s VAL 552 N 1.32 0.83 -0.37 3.14 -7.23 0.17 -0.29 120.40 117.97 2b1x s VAL 552 Ca -0.07 -0.82 0.02 0.00 -1.81 0.00 0.00 61.98 59.30 2b1x s VAL 552 Cb -0.19 -0.77 0.11 0.00 0.56 0.00 0.00 36.38 36.09 2b1x s VAL 552 CO -0.06 -0.03 0.13 -0.69 -0.31 0.00 0.00 175.10 174.14 2b1x s VAL 553 N -0.77 1.58 0.74 1.32 1.01 0.20 -0.91 120.40 123.57 2b1x s VAL 553 Ca -0.01 -2.12 -0.11 0.00 0.00 0.00 0.00 61.98 59.74 2b1x s VAL 553 Cb -0.07 -2.16 0.04 0.00 0.00 0.00 0.00 36.38 34.19 2b1x s VAL 553 CO 0.01 -0.71 1.09 -2.84 0.00 0.00 0.00 175.10 172.64 2b1x s PRO 554 N 0.95 2.48 0.07 2.72 0.02 -1.25 -0.38 135.00 139.60 2b1x s PRO 554 Ca 0.12 1.16 -0.17 0.00 0.02 0.00 0.00 61.00 62.13 2b1x s PRO 554 Cb -0.20 -1.92 -0.06 0.00 0.02 0.00 0.00 34.50 32.33 2b1x s PRO 554 CO -0.12 -1.47 0.52 0.42 -0.33 0.00 0.00 177.00 176.02 2b1x s ILE 555 N -2.84 4.84 0.16 2.83 1.01 -1.26 -4.57 121.20 121.37 2b1x s ILE 555 Ca 0.61 1.05 0.11 0.00 0.00 0.00 0.00 60.65 62.42 2b1x s ILE 555 Cb -0.17 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 2b1x s ILE 555 CO 0.53 0.51 -0.25 -0.13 0.00 0.00 0.00 174.94 175.60 2b1x s ARG 556 N -1.25 1.44 0.04 2.79 0.52 -1.26 -0.67 118.95 120.56 2b1x s ARG 556 Ca 0.29 -1.43 0.04 0.00 -0.52 0.00 0.00 55.73 54.11 2b1x s ARG 556 Cb -0.18 -1.83 -0.02 0.00 0.52 0.00 0.00 34.95 33.44 2b1x s ARG 556 CO 0.18 0.41 -0.12 0.14 0.02 0.00 0.00 175.30 175.93 2b1x s VAL 557 N -1.40 0.92 0.07 3.52 -7.23 -0.53 -4.51 120.40 111.23 2b1x s VAL 557 Ca 0.17 -0.97 -0.31 0.00 -1.81 0.00 0.00 61.98 59.06 2b1x s VAL 557 Cb -0.09 -0.86 -0.08 0.00 0.56 0.00 0.00 36.38 35.91 2b1x s VAL 557 CO 0.08 -0.09 1.55 -0.89 -0.31 0.00 0.00 175.10 175.43 2b1x s THR 558 N -0.94 3.17 0.09 5.32 2.01 -1.26 -4.74 115.64 119.29 2b1x s THR 558 Ca -0.01 0.68 0.01 0.00 0.31 0.00 0.00 61.69 62.68 2b1x s THR 558 Cb -0.08 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 2b1x s THR 558 CO 0.01 0.01 -0.06 -0.13 -0.69 0.00 0.00 174.62 173.76 2b1x s ARG 559 N 2.16 0.77 0.80 4.92 0.52 -1.26 -5.13 118.95 121.72 2b1x s ARG 559 Ca 0.70 -1.26 -0.15 0.00 -0.52 0.00 0.00 55.73 54.50 2b1x s ARG 559 Cb -0.38 -0.15 0.01 0.00 0.52 0.00 0.00 34.95 34.94 2b1x s ARG 559 CO 0.30 -0.02 0.67 -0.85 0.02 0.00 0.00 175.30 175.42 2b1x n GLU 560 N 0.13 0.15 0.01 3.54 0.00 -1.26 -4.88 120.64 118.32 2b1x n GLU 560 Ca -0.13 0.10 0.08 0.00 0.00 0.00 0.00 57.16 57.21 2b1x n GLU 560 Cb 0.60 -1.99 0.50 0.00 0.00 0.00 0.00 31.44 30.54 2b1x n GLU 560 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2b1x h ARG 561 N -0.77 0.38 -0.03 3.44 2.43 -2.03 -2.35 114.38 115.46 2b1x h ARG 561 Ca -0.45 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.67 2b1x h ARG 561 Cb 1.32 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.78 2b1x h ARG 561 CO 0.41 0.25 -0.10 1.49 -1.51 0.00 0.00 179.97 180.52 2b1x h GLU 562 N 0.40 0.05 -6.58 0.20 4.81 -2.03 -3.44 114.58 107.99 2b1x h GLU 562 Ca 0.18 -0.01 -0.59 0.00 -0.13 0.00 0.00 59.36 58.81 2b1x h GLU 562 Cb 0.22 -0.01 0.09 0.00 0.63 0.00 0.00 28.75 29.68 2b1x h GLU 562 CO -0.04 0.15 0.47 0.00 -0.73 0.00 0.00 179.01 178.85 2b1x n ALA 563 N -2.51 0.72 -0.05 2.92 0.00 -0.88 -4.89 120.51 115.81 2b1x n ALA 563 Ca -0.02 0.40 -0.03 0.00 0.00 0.00 0.00 53.44 53.79 2b1x n ALA 563 Cb 0.19 -2.20 0.21 0.00 0.00 0.00 0.00 19.45 17.65 2b1x n ALA 563 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2b1x h VAL 564 N 2.70 1.23 -2.91 0.00 2.07 -1.90 -3.45 116.25 113.99 2b1x h VAL 564 Ca -0.44 -0.99 -0.09 0.00 0.82 0.00 0.00 66.70 66.00 2b1x h VAL 564 Cb 1.30 1.00 -0.19 0.00 -1.52 0.00 0.00 31.29 31.88 2b1x h VAL 564 CO 0.69 0.34 -0.15 0.28 0.02 0.00 0.00 177.57 178.74 2b1x s THR 565 N -4.87 0.05 -0.96 2.57 -1.32 -1.26 -5.03 115.64 104.82 2b1x s THR 565 Ca -0.08 -0.42 0.10 0.00 -1.21 0.00 0.00 61.69 60.07 2b1x s THR 565 Cb 0.15 -0.81 0.21 0.00 -1.51 0.00 0.00 72.50 70.54 2b1x s THR 565 CO 0.79 -0.23 1.10 -0.90 -2.21 0.00 0.00 174.62 173.17 2b1x n ASP 566 N 0.91 2.52 -4.71 8.08 5.68 -1.26 -4.98 116.55 122.79 2b1x n ASP 566 Ca -0.20 -1.82 -0.40 0.00 -0.50 0.00 0.00 54.79 51.88 2b1x n ASP 566 Cb 0.58 -0.14 -0.05 0.00 -1.14 0.00 0.00 41.12 40.36 2b1x n ASP 566 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2b1x s VAL 567 N -0.95 5.05 0.30 2.12 1.01 -1.26 -1.45 120.40 125.22 2b1x s VAL 567 Ca 0.18 1.37 -0.29 0.00 0.00 0.00 0.00 61.98 63.23 2b1x s VAL 567 Cb 0.10 -4.01 -0.10 0.00 0.00 0.00 0.00 36.38 32.37 2b1x s VAL 567 CO 0.14 0.23 1.19 -0.69 0.00 0.00 0.00 175.10 175.97 2b1x s VAL 568 N 0.97 3.17 -0.17 2.92 1.01 0.15 -5.00 120.40 123.45 2b1x s VAL 568 Ca 0.35 1.17 -0.11 0.00 0.00 0.00 0.00 61.98 63.40 2b1x s VAL 568 Cb -0.17 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 2b1x s VAL 568 CO 0.16 0.28 0.19 -1.61 0.00 0.00 0.00 175.10 174.11 2b1x s GLU 569 N -1.52 4.07 0.00 2.72 2.02 -1.26 -4.50 118.70 120.23 2b1x s GLU 569 Ca 0.47 -0.09 0.00 0.00 0.02 0.00 0.00 54.97 55.37 2b1x s GLU 569 Cb -0.35 -3.37 0.00 0.00 0.10 0.00 0.00 34.13 30.50 2b1x s GLU 569 CO 0.46 0.38 0.00 0.41 0.02 0.00 0.00 175.26 176.53 2b1x n GLY 570 N 3.15 1.45 3.06 -1.39 0.00 -1.26 -5.00 105.19 105.21 2b1x n GLY 570 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 2b1x n GLY 570 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2b1x s MET 571 N -0.46 0.42 0.12 1.61 0.00 -1.26 -5.16 119.30 114.56 2b1x s MET 571 Ca 0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 55.69 55.10 2b1x s MET 571 Cb 0.00 0.17 0.01 0.00 0.00 0.00 0.00 34.83 35.01 2b1x s MET 571 CO 0.00 -0.09 0.30 0.99 0.00 0.00 0.00 175.02 176.21 2b1x s THR 572 N -1.41 0.10 -0.24 10.11 2.01 -1.26 -4.26 115.64 120.70 2b1x s THR 572 Ca -0.15 -0.97 0.18 0.00 0.31 0.00 0.00 61.69 61.06 2b1x s THR 572 Cb -0.08 -1.35 0.12 0.00 0.01 0.00 0.00 72.50 71.19 2b1x s THR 572 CO 0.01 -0.46 1.41 0.45 -0.69 0.00 0.00 174.62 175.33 2b1x h HIS 573 N 2.56 0.00 -1.59 4.92 3.86 -0.96 -3.46 115.15 120.48 2b1x h HIS 573 Ca -0.33 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 58.95 2b1x h HIS 573 Cb 1.23 0.00 -0.26 0.00 1.06 0.00 0.00 27.41 29.43 2b1x h HIS 573 CO 0.38 0.33 0.42 1.41 0.86 0.00 0.00 177.93 181.33 2b1x s MET 574 N -3.06 0.47 -0.47 2.45 -2.45 -1.15 -4.94 119.30 110.16 2b1x s MET 574 Ca 0.04 0.64 0.06 0.00 -1.25 0.00 0.00 55.69 55.18 2b1x s MET 574 Cb 0.07 0.18 0.18 0.00 1.25 0.00 0.00 34.83 36.51 2b1x s MET 574 CO 0.73 -0.07 0.59 0.34 1.05 0.00 0.00 175.02 177.66 2b1x s ASP 575 N 0.65 -0.46 0.10 1.11 -1.08 -1.25 -0.63 116.67 115.11 2b1x s ASP 575 Ca -0.01 -2.00 0.01 0.00 -0.52 0.00 0.00 52.55 50.03 2b1x s ASP 575 Cb -0.05 1.17 -0.04 0.00 -1.46 0.00 0.00 42.92 42.54 2b1x s ASP 575 CO -0.10 -0.11 0.25 -1.81 0.52 0.00 0.00 175.17 173.92 2b1x s ASP 576 N 0.79 6.36 0.00 -0.34 1.01 0.60 -4.94 116.67 120.14 2b1x s ASP 576 Ca 0.28 0.25 0.00 0.00 0.71 0.00 0.00 52.55 53.79 2b1x s ASP 576 Cb -0.01 -1.95 0.00 0.00 1.01 0.00 0.00 42.92 41.98 2b1x s ASP 576 CO -0.09 0.11 0.00 -0.90 0.21 0.00 0.00 175.17 174.50 2b1x n ASP 577 N -0.07 1.88 -0.16 0.27 5.68 -1.26 -1.46 116.55 121.43 2b1x n ASP 577 Ca -0.06 -1.00 -0.03 0.00 -0.50 0.00 0.00 54.79 53.21 2b1x n ASP 577 Cb 0.52 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.69 2b1x n ASP 577 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2b1x h ALA 578 N 0.97 1.23 -0.31 2.12 0.00 -1.80 -1.01 119.26 120.46 2b1x h ALA 578 Ca 0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 2b1x h ALA 578 Cb 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2b1x h ALA 578 CO 0.00 0.55 -0.31 -0.44 0.00 0.00 0.00 179.25 179.04 2b1x h ASP 579 N 0.87 0.81 0.70 0.00 3.32 -1.94 -1.45 116.42 118.74 2b1x h ASP 579 Ca 0.20 -0.47 -0.18 0.00 0.02 0.00 0.00 57.03 56.60 2b1x h ASP 579 Cb 0.23 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2b1x h ASP 579 CO -0.01 1.12 -0.82 0.77 -1.72 0.00 0.00 179.24 178.57 2b1x h SER 580 N 0.52 0.11 -0.36 6.45 4.64 -1.91 -2.16 113.55 120.84 2b1x h SER 580 Ca 0.05 -0.09 -0.14 0.00 -0.47 0.00 0.00 61.79 61.14 2b1x h SER 580 Cb 0.89 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 2b1x h SER 580 CO 0.08 0.88 -0.30 -0.03 -0.87 0.00 0.00 176.83 176.59 2b1x h MET 581 N 0.05 0.89 -0.34 4.77 1.85 -1.16 -0.87 114.93 120.12 2b1x h MET 581 Ca -0.02 -0.42 0.05 0.00 -0.61 0.00 0.00 59.70 58.70 2b1x h MET 581 Cb 1.44 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 33.42 2b1x h MET 581 CO 0.12 1.07 0.09 1.49 -0.40 0.00 0.00 176.91 179.27 2b1x h GLU 582 N 0.75 0.21 -0.60 0.39 4.81 -1.19 -1.81 114.58 117.13 2b1x h GLU 582 Ca 0.08 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 2b1x h GLU 582 Cb 0.87 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.15 2b1x h GLU 582 CO 0.08 0.14 0.30 1.98 -0.73 0.00 0.00 179.01 180.78 2b1x h MET 583 N 0.21 0.55 -0.62 1.92 4.05 -1.08 0.23 114.93 120.20 2b1x h MET 583 Ca 0.16 -0.03 0.08 0.00 -0.28 0.00 0.00 59.70 59.63 2b1x h MET 583 Cb 0.16 -0.12 -0.07 0.00 -0.80 0.00 0.00 31.60 30.77 2b1x h MET 583 CO -0.19 0.36 0.27 -0.09 0.23 0.00 0.00 176.91 177.50 2b1x h ARG 584 N 0.57 0.48 -0.14 0.39 2.43 -0.79 0.81 114.38 118.12 2b1x h ARG 584 Ca 0.27 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.27 2b1x h ARG 584 Cb 0.21 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2b1x h ARG 584 CO -0.20 0.32 -0.49 0.28 -1.51 0.00 0.00 179.97 178.37 2b1x h VAL 585 N 0.49 1.35 -0.51 0.20 2.07 -0.68 -2.85 116.25 116.32 2b1x h VAL 585 Ca 0.30 -1.77 0.02 0.00 0.82 0.00 0.00 66.70 66.07 2b1x h VAL 585 Cb 0.32 2.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 2b1x h VAL 585 CO -0.26 0.54 0.34 -0.07 0.02 0.00 0.00 177.57 178.14 2b1x h LEU 586 N 0.20 0.54 -0.04 2.57 3.38 -0.10 -1.84 115.31 120.02 2b1x h LEU 586 Ca -0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2b1x h LEU 586 Cb 1.12 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 2b1x h LEU 586 CO 0.10 0.38 0.03 -0.09 0.09 0.00 0.00 178.44 178.95 2b1x h ARG 587 N 0.63 0.06 0.00 1.13 2.43 -0.70 -2.51 114.38 115.42 2b1x h ARG 587 Ca 0.20 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2b1x h ARG 587 Cb 0.02 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2b1x h ARG 587 CO -0.05 0.08 0.00 -0.07 -1.51 0.00 0.00 179.97 178.43 2b1x h LEU 588 N 0.02 0.00 -0.70 3.80 3.38 -1.16 -1.44 115.31 119.22 2b1x h LEU 588 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2b1x h LEU 588 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2b1x h LEU 588 CO -0.00 0.00 -0.21 -0.62 0.09 0.00 0.00 178.44 177.70 2b1x n GLU 589 N -2.38 1.12 -1.67 1.13 1.02 -0.76 -4.89 120.64 114.22 2b1x n GLU 589 Ca 0.00 -0.70 -0.29 0.00 -0.02 0.00 0.00 57.16 56.15 2b1x n GLU 589 Cb 0.14 -1.49 0.16 0.00 -0.02 0.00 0.00 31.44 30.24 2b1x n GLU 589 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2b1x s THR 590 N -2.36 1.93 -1.66 2.62 -4.23 -0.54 -4.95 115.64 106.44 2b1x s THR 590 Ca 0.27 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 60.90 2b1x s THR 590 Cb 0.20 -2.84 0.39 0.00 1.34 0.00 0.00 72.50 71.58 2b1x s THR 590 CO 0.47 0.00 1.28 -0.62 -0.54 0.00 0.00 174.62 175.21 2b1x n GLU 591 N -3.86 2.25 -0.24 3.99 1.02 -1.26 -4.34 120.64 118.19 2b1x n GLU 591 Ca 0.11 -1.55 0.03 0.00 -0.02 0.00 0.00 57.16 55.73 2b1x n GLU 591 Cb 0.60 -1.46 0.04 0.00 -0.02 0.00 0.00 31.44 30.60 2b1x n GLU 591 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2b1x n TYR 592 N 0.62 0.00 -2.53 -0.32 4.02 -1.26 -4.94 117.16 112.75 2b1x n TYR 592 Ca 0.14 -0.37 -0.43 0.00 -0.01 0.00 0.00 57.90 57.23 2b1x n TYR 592 Cb 0.45 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.70 2b1x n TYR 592 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2b1x n ALA 593 N -0.50 4.04 -0.34 -0.72 0.00 -1.26 -4.83 120.51 116.90 2b1x n ALA 593 Ca 0.05 -3.98 0.00 0.00 0.00 0.00 0.00 53.44 49.51 2b1x n ALA 593 Cb 0.60 -3.42 0.17 0.00 0.00 0.00 0.00 19.45 16.80 2b1x n ALA 593 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2b1x h TRP 594 N 7.11 1.17 -0.94 0.00 4.06 -1.92 -0.72 115.95 124.71 2b1x h TRP 594 Ca 0.43 0.03 0.27 0.00 2.06 0.00 0.00 58.89 61.68 2b1x h TRP 594 Cb 0.82 -0.39 -0.04 0.00 -1.00 0.00 0.00 29.16 28.55 2b1x h TRP 594 CO 1.34 0.68 0.67 0.00 -3.56 0.00 0.00 178.44 177.58 2b1x h ALA 595 N 1.44 2.88 0.00 1.49 0.00 -1.93 -2.76 119.26 120.39 2b1x h ALA 595 Ca 0.37 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 2b1x h ALA 595 Cb -0.02 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 17.74 2b1x h ALA 595 CO -0.11 -1.15 -0.55 0.39 0.00 0.00 0.00 179.25 177.83 2b1x n GLU 596 N -4.26 0.89 -3.42 0.00 -0.58 -0.37 -4.75 120.64 108.16 2b1x n GLU 596 Ca 0.19 -2.51 -0.19 0.00 -0.42 0.00 0.00 57.16 54.23 2b1x n GLU 596 Cb 1.00 -1.01 -0.10 0.00 -0.57 0.00 0.00 31.44 30.76 2b1x n GLU 596 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2b1x s ASP 597 N -2.54 1.93 0.52 1.62 -1.08 -0.64 -2.41 116.67 114.06 2b1x s ASP 597 Ca 0.31 -0.99 -0.22 0.00 -0.52 0.00 0.00 52.55 51.13 2b1x s ASP 597 Cb 0.31 0.36 -0.06 0.00 -1.46 0.00 0.00 42.92 42.07 2b1x s ASP 597 CO -0.07 -0.38 1.26 -2.84 0.52 0.00 0.00 175.17 173.67 2b1x s PRO 598 N 2.16 3.37 0.55 4.34 0.02 -1.26 -4.62 135.00 139.56 2b1x s PRO 598 Ca 0.11 2.00 -0.20 0.00 0.02 0.00 0.00 61.00 62.93 2b1x s PRO 598 Cb -0.15 -2.28 -0.05 0.00 0.02 0.00 0.00 34.50 32.05 2b1x s PRO 598 CO -0.29 -0.94 1.19 -1.25 -0.33 0.00 0.00 177.00 175.39 2b1x s PRO 599 N -2.87 3.23 0.67 5.54 0.04 -1.01 -4.96 135.00 135.64 2b1x s PRO 599 Ca 0.69 1.79 -0.16 0.00 0.04 0.00 0.00 61.00 63.36 2b1x s PRO 599 Cb -0.34 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.15 2b1x s PRO 599 CO 0.41 -0.99 1.19 -1.12 0.04 0.00 0.00 177.00 176.52 2b1x s SER 600 N -1.55 4.69 -0.23 6.66 0.01 -1.26 -4.80 113.70 117.22 2b1x s SER 600 Ca 0.73 2.29 -0.17 0.00 1.31 0.00 0.00 55.95 60.11 2b1x s SER 600 Cb -0.29 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.32 2b1x s SER 600 CO 0.33 -1.93 0.46 -0.13 0.41 0.00 0.00 173.24 172.38 2b1x s ARG 601 N -3.77 4.12 0.15 12.44 3.00 -0.40 -4.97 118.95 129.51 2b1x s ARG 601 Ca 0.74 0.27 0.06 0.00 0.00 0.00 0.00 55.73 56.80 2b1x s ARG 601 Cb -0.28 -3.60 -0.04 0.00 0.00 0.00 0.00 34.95 31.04 2b1x s ARG 601 CO 0.41 -0.20 -0.13 -1.54 0.00 0.00 0.00 175.30 173.84 2b1x s SER 602 N 1.31 2.02 -0.08 0.23 1.04 -1.26 -1.54 113.70 115.42 2b1x s SER 602 Ca 0.20 -0.92 -0.03 0.00 0.48 0.00 0.00 55.95 55.68 2b1x s SER 602 Cb -0.15 -0.06 0.04 0.00 0.10 0.00 0.00 66.02 65.95 2b1x s SER 602 CO 0.09 -0.22 0.16 -0.60 0.98 0.00 0.00 173.24 173.65 2b1x s ARG 603 N -3.23 0.06 -0.63 4.02 3.52 -0.14 -4.79 118.95 117.75 2b1x s ARG 603 Ca 0.14 0.49 -0.23 0.00 -0.13 0.00 0.00 55.73 56.01 2b1x s ARG 603 Cb -0.01 -0.23 0.06 0.00 -1.56 0.00 0.00 34.95 33.21 2b1x s ARG 603 CO 0.03 -0.25 0.95 -1.01 -0.81 0.00 0.00 175.30 174.20 2b1x s HIS 604 N 1.84 2.71 -0.35 5.12 3.76 -1.26 -1.28 115.29 125.83 2b1x s HIS 604 Ca -0.02 -0.45 -0.24 0.00 -0.15 0.00 0.00 55.06 54.20 2b1x s HIS 604 Cb -0.12 -4.22 0.01 0.00 1.11 0.00 0.00 32.58 29.36 2b1x s HIS 604 CO -0.06 -1.57 0.83 -0.06 -0.85 0.00 0.00 174.74 173.04 2b1x s PHE 605 N 3.98 3.12 -0.27 1.40 0.40 -0.43 -4.97 117.98 121.21 2b1x s PHE 605 Ca 0.23 0.68 -0.04 0.00 -0.60 0.00 0.00 56.93 57.20 2b1x s PHE 605 Cb -0.16 -3.45 0.02 0.00 0.51 0.00 0.00 43.02 39.94 2b1x s PHE 605 CO 0.12 -0.73 0.01 0.08 0.70 0.00 0.00 175.22 175.39 2b1x s VAL 606 N 3.20 3.34 0.38 -0.44 1.01 -1.26 -0.92 120.40 125.72 2b1x s VAL 606 Ca 0.34 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.43 2b1x s VAL 606 Cb -0.13 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 2b1x s VAL 606 CO 0.17 0.11 0.19 0.35 0.00 0.00 0.00 175.10 175.91 2b1x n THR 607 N 4.75 0.00 -3.97 3.92 -2.24 -0.24 -4.92 114.28 111.58 2b1x n THR 607 Ca -0.15 -2.40 -0.27 0.00 -2.27 0.00 0.00 64.05 58.96 2b1x n THR 607 Cb 0.47 0.97 -0.01 0.00 -2.10 0.00 0.00 70.33 69.66 2b1x n THR 607 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2b1x n ASN 608 N -1.58 -1.09 -4.68 3.42 5.03 -1.26 -0.25 115.26 114.85 2b1x n ASN 608 Ca -0.01 -0.98 -0.42 0.00 0.87 0.00 0.00 54.58 54.03 2b1x n ASN 608 Cb 0.61 -3.15 -0.03 0.00 -1.02 0.00 0.00 39.78 36.20 2b1x n ASN 608 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2b1x s VAL 609 N -3.80 4.25 -0.10 2.41 1.01 -1.26 -4.17 120.40 118.74 2b1x s VAL 609 Ca 0.15 1.56 0.03 0.00 0.00 0.00 0.00 61.98 63.73 2b1x s VAL 609 Cb -0.08 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.29 2b1x s VAL 609 CO 0.88 -0.04 -0.22 -0.13 0.00 0.00 0.00 175.10 175.59 2b1x s ARG 610 N 2.59 3.10 -0.12 2.72 0.52 0.14 -5.00 118.95 122.90 2b1x s ARG 610 Ca 0.56 -0.85 0.03 0.00 -0.52 0.00 0.00 55.73 54.95 2b1x s ARG 610 Cb -0.24 -2.35 0.00 0.00 0.52 0.00 0.00 34.95 32.88 2b1x s ARG 610 CO 0.20 0.19 -0.21 0.08 0.02 0.00 0.00 175.30 175.58 2b1x s VAL 611 N 0.33 2.25 0.18 3.52 1.01 -1.26 -1.09 120.40 125.34 2b1x s VAL 611 Ca -0.17 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 60.93 2b1x s VAL 611 Cb -0.18 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 2b1x s VAL 611 CO 0.08 0.55 -0.12 0.00 0.00 0.00 0.00 175.10 175.62 2b1x s ALA 612 N 0.51 1.73 0.44 5.51 0.00 0.33 -4.98 121.76 125.30 2b1x s ALA 612 Ca -0.14 -1.58 -0.24 0.00 0.00 0.00 0.00 51.96 50.00 2b1x s ALA 612 Cb -0.17 0.01 -0.08 0.00 0.00 0.00 0.00 23.12 22.88 2b1x s ALA 612 CO 0.05 -0.03 1.25 0.95 0.00 0.00 0.00 175.76 177.98 2b1x s THR 613 N -3.17 2.77 0.00 0.00 -4.23 -1.26 -0.81 115.64 108.94 2b1x s THR 613 Ca 0.20 0.63 0.00 0.00 -1.18 0.00 0.00 61.69 61.34 2b1x s THR 613 Cb 0.01 -3.35 0.00 0.00 1.34 0.00 0.00 72.50 70.50 2b1x s THR 613 CO 0.04 0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 2b1x n GLY 614 N 0.61 0.26 0.16 3.99 0.00 0.14 -4.38 105.19 105.97 2b1x n GLY 614 Ca 0.06 -1.88 0.03 0.00 0.00 0.00 0.00 46.02 44.23 2b1x n GLY 614 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2b1x h ASP 615 N 0.00 0.00 -2.22 1.61 3.32 -1.97 -3.43 116.42 113.73 2b1x h ASP 615 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 2b1x h ASP 615 Cb 0.00 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.44 2b1x h ASP 615 CO 0.00 0.50 -0.68 -0.44 -1.72 0.00 0.00 179.24 176.90 2b1x s SER 616 N -6.52 4.29 0.77 6.45 0.01 -1.26 -5.08 113.70 112.36 2b1x s SER 616 Ca 0.01 -0.75 -0.14 0.00 1.31 0.00 0.00 55.95 56.38 2b1x s SER 616 Cb 0.10 -0.70 0.06 0.00 0.21 0.00 0.00 66.02 65.70 2b1x s SER 616 CO 0.72 0.01 1.23 -1.61 0.41 0.00 0.00 173.24 174.01 2b1x s GLU 617 N -3.62 1.81 0.00 12.44 0.41 -1.26 -2.54 118.70 125.93 2b1x s GLU 617 Ca 0.31 1.84 0.00 0.00 -0.41 0.00 0.00 54.97 56.71 2b1x s GLU 617 Cb -0.06 -1.78 0.00 0.00 -1.78 0.00 0.00 34.13 30.50 2b1x s GLU 617 CO 0.19 -2.11 0.00 -0.40 -0.49 0.00 0.00 175.26 172.45 2b1x n ASP 618 N -3.00 0.00 -4.49 -0.19 3.85 -1.26 -4.99 116.55 106.47 2b1x n ASP 618 Ca 0.14 0.00 -0.32 0.00 -0.71 0.00 0.00 54.79 53.90 2b1x n ASP 618 Cb 0.50 -0.87 -0.12 0.00 -1.35 0.00 0.00 41.12 39.27 2b1x n ASP 618 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 2b1x s GLU 619 N -0.28 2.36 -0.02 0.11 2.02 -1.05 -0.54 118.70 121.30 2b1x s GLU 619 Ca 0.00 -0.80 0.03 0.00 0.02 0.00 0.00 54.97 54.22 2b1x s GLU 619 Cb 0.00 -2.33 -0.00 0.00 0.10 0.00 0.00 34.13 31.89 2b1x s GLU 619 CO 0.00 0.59 -0.12 -0.06 0.02 0.00 0.00 175.26 175.69 2b1x s PHE 620 N -0.85 1.13 -0.20 1.61 0.40 0.42 -0.68 117.98 119.81 2b1x s PHE 620 Ca 0.14 -0.25 -0.20 0.00 -0.60 0.00 0.00 56.93 56.02 2b1x s PHE 620 Cb -0.11 -0.75 -0.03 0.00 0.51 0.00 0.00 43.02 42.64 2b1x s PHE 620 CO 0.04 -0.06 0.60 0.15 0.70 0.00 0.00 175.22 176.64 2b1x s LYS 621 N -0.10 4.19 -0.11 0.44 1.02 0.01 -0.71 119.74 124.48 2b1x s LYS 621 Ca 0.01 0.55 0.00 0.00 0.02 0.00 0.00 55.97 56.56 2b1x s LYS 621 Cb -0.07 -3.58 0.02 0.00 -0.52 0.00 0.00 37.83 33.68 2b1x s LYS 621 CO 0.00 -0.24 -0.11 0.08 -0.92 0.00 0.00 175.35 174.17 2b1x s VAL 622 N 1.90 1.21 -0.09 3.17 1.01 -0.38 -0.51 120.40 126.71 2b1x s VAL 622 Ca 0.27 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.86 2b1x s VAL 622 Cb -0.16 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.05 2b1x s VAL 622 CO 0.10 0.39 -0.23 -0.89 0.00 0.00 0.00 175.10 174.48 2b1x s THR 623 N 1.43 1.93 0.02 3.92 2.01 -0.25 0.20 115.64 124.90 2b1x s THR 623 Ca 0.01 -0.95 -0.04 0.00 0.31 0.00 0.00 61.69 61.02 2b1x s THR 623 Cb -0.13 -1.68 -0.01 0.00 0.01 0.00 0.00 72.50 70.69 2b1x s THR 623 CO -0.06 0.53 0.06 -0.94 -0.69 0.00 0.00 174.62 173.52 2b1x s SER 624 N 0.33 0.15 0.04 3.53 1.04 -0.67 0.28 113.70 118.40 2b1x s SER 624 Ca -0.17 -0.39 -0.19 0.00 0.48 0.00 0.00 55.95 55.68 2b1x s SER 624 Cb -0.17 0.17 -0.06 0.00 0.10 0.00 0.00 66.02 66.05 2b1x s SER 624 CO 0.08 -0.37 0.54 0.20 0.98 0.00 0.00 173.24 174.67 2b1x s ASN 625 N -1.57 6.99 -0.10 7.02 0.01 0.66 -1.22 114.94 126.72 2b1x s ASN 625 Ca -0.13 1.18 0.03 0.00 -0.71 0.00 0.00 52.86 53.23 2b1x s ASN 625 Cb -0.07 -2.34 0.00 0.00 0.41 0.00 0.00 41.25 39.25 2b1x s ASN 625 CO -0.01 0.24 -0.21 -0.22 -1.51 0.00 0.00 177.10 175.39 2b1x s LEU 626 N -0.88 2.01 -0.19 0.60 2.96 0.16 -1.07 118.68 122.27 2b1x s LEU 626 Ca 0.28 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 2b1x s LEU 626 Cb -0.19 -1.32 0.02 0.00 0.50 0.00 0.00 46.19 45.21 2b1x s LEU 626 CO 0.17 0.12 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.91 2b1x s LEU 627 N 0.52 2.22 -0.27 -0.68 1.98 -0.10 -1.13 118.68 121.23 2b1x s LEU 627 Ca -0.15 -0.67 -0.08 0.00 -2.89 0.00 0.00 54.13 50.34 2b1x s LEU 627 Cb -0.17 -1.49 -0.02 0.00 0.66 0.00 0.00 46.19 45.16 2b1x s LEU 627 CO 0.06 -0.01 0.09 -0.22 -1.89 0.00 0.00 176.35 174.38 2b1x s LEU 628 N 1.29 3.63 -0.14 -0.68 2.96 0.16 -1.32 118.68 124.59 2b1x s LEU 628 Ca 0.04 -0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 53.58 2b1x s LEU 628 Cb -0.13 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 2b1x s LEU 628 CO -0.12 -0.08 0.13 -0.47 -1.32 0.00 0.00 176.35 174.49 2b1x s TYR 629 N 1.61 3.52 -0.07 5.38 5.04 -0.40 -0.63 117.35 131.80 2b1x s TYR 629 Ca 0.06 0.44 -0.03 0.00 -2.44 0.00 0.00 57.07 55.10 2b1x s TYR 629 Cb -0.16 -1.99 0.04 0.00 0.35 0.00 0.00 41.96 40.20 2b1x s TYR 629 CO 0.04 0.59 0.15 0.50 -1.34 0.00 0.00 175.55 175.49 2b1x s ARG 630 N -0.61 0.08 0.16 4.97 3.52 -0.72 -0.96 118.95 125.38 2b1x s ARG 630 Ca 0.13 0.41 0.06 0.00 -0.13 0.00 0.00 55.73 56.20 2b1x s ARG 630 Cb -0.12 -0.20 -0.04 0.00 -1.56 0.00 0.00 34.95 33.03 2b1x s ARG 630 CO 0.02 -0.20 -0.13 0.95 -0.81 0.00 0.00 175.30 175.14 2b1x s THR 631 N 1.43 1.38 -0.03 4.11 -4.23 -0.59 -0.90 115.64 116.81 2b1x s THR 631 Ca -0.06 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.40 2b1x s THR 631 Cb -0.12 -1.81 0.01 0.00 1.34 0.00 0.00 72.50 71.92 2b1x s THR 631 CO -0.06 -0.60 0.13 -0.13 -0.54 0.00 0.00 174.62 173.41 2b1x s ARG 632 N -3.39 0.24 3.19 3.99 0.52 -1.26 -1.27 118.95 120.97 2b1x s ARG 632 Ca 0.16 0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.38 2b1x s ARG 632 Cb -0.01 0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.57 2b1x s ARG 632 CO 0.03 -0.04 0.00 0.41 0.02 0.00 0.00 175.30 175.72 2b1x n GLY 633 N 2.56 0.78 0.87 -3.53 0.00 -1.26 -4.00 105.19 100.61 2b1x n GLY 633 Ca -0.15 -0.81 0.08 0.00 0.00 0.00 0.00 46.02 45.13 2b1x n GLY 633 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2b1x n ASP 634 N -2.70 3.26 -4.74 1.61 5.75 -1.26 -4.98 116.55 113.47 2b1x n ASP 634 Ca 0.00 -2.00 -0.41 0.00 -0.01 0.00 0.00 54.79 52.37 2b1x n ASP 634 Cb 0.00 -0.31 -0.04 0.00 -1.03 0.00 0.00 41.12 39.74 2b1x n ASP 634 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2b1x s VAL 635 N -1.00 3.62 -1.56 2.12 0.11 -1.26 -4.93 120.40 117.50 2b1x s VAL 635 Ca 0.31 1.43 -0.11 0.00 -2.93 0.00 0.00 61.98 60.69 2b1x s VAL 635 Cb 0.16 -3.91 -0.04 0.00 -1.53 0.00 0.00 36.38 31.06 2b1x s VAL 635 CO 0.21 0.26 2.70 0.00 -3.33 0.00 0.00 175.10 174.95 2b1x n ALA 636 N 2.16 6.91 -2.78 1.54 0.00 -1.26 -4.82 120.51 122.25 2b1x n ALA 636 Ca 0.03 -3.67 -0.10 0.00 0.00 0.00 0.00 53.44 49.69 2b1x n ALA 636 Cb 0.45 -3.39 -0.07 0.00 0.00 0.00 0.00 19.45 16.44 2b1x n ALA 636 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2b1x s THR 637 N 2.29 0.02 0.10 0.00 -1.32 -1.26 -5.19 115.64 110.29 2b1x s THR 637 Ca 0.62 -1.55 -0.24 0.00 -1.21 0.00 0.00 61.69 59.30 2b1x s THR 637 Cb 0.17 -2.16 0.07 0.00 -1.51 0.00 0.00 72.50 69.06 2b1x s THR 637 CO -0.07 -0.10 0.59 -0.72 -2.21 0.00 0.00 174.62 172.11 2b1x s TYR 638 N -4.04 -0.53 0.06 9.09 -0.85 -1.26 -4.72 117.35 115.10 2b1x s TYR 638 Ca 0.25 0.48 0.07 0.00 -0.52 0.00 0.00 57.07 57.35 2b1x s TYR 638 Cb 0.03 0.48 -0.03 0.00 0.38 0.00 0.00 41.96 42.81 2b1x s TYR 638 CO 0.07 -0.77 -0.16 -0.51 -1.52 0.00 0.00 175.55 172.66 2b1x s ASP 639 N -2.34 3.93 -0.10 -0.18 1.01 -0.07 -4.99 116.67 113.92 2b1x s ASP 639 Ca -0.02 -0.42 0.02 0.00 0.71 0.00 0.00 52.55 52.83 2b1x s ASP 639 Cb -0.01 -0.66 0.02 0.00 1.01 0.00 0.00 42.92 43.28 2b1x s ASP 639 CO -0.07 0.24 -0.14 -0.69 0.21 0.00 0.00 175.17 174.72 2b1x s VAL 640 N -0.99 1.40 -0.10 -1.27 1.01 -1.26 -1.75 120.40 117.43 2b1x s VAL 640 Ca 0.16 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 2b1x s VAL 640 Cb -0.11 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 2b1x s VAL 640 CO 0.07 0.42 0.04 -0.76 0.00 0.00 0.00 175.10 174.87 2b1x s LEU 641 N 0.99 3.82 0.02 3.92 1.43 0.19 -4.83 118.68 124.23 2b1x s LEU 641 Ca -0.07 0.23 0.06 0.00 -1.03 0.00 0.00 54.13 53.32 2b1x s LEU 641 Cb -0.15 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 2b1x s LEU 641 CO -0.01 0.38 -0.18 -0.55 0.23 0.00 0.00 176.35 176.21 2b1x s SER 642 N -0.86 2.17 -0.01 2.29 0.15 -1.26 0.40 113.70 116.58 2b1x s SER 642 Ca 0.13 -0.44 -0.29 0.00 0.70 0.00 0.00 55.95 56.05 2b1x s SER 642 Cb -0.12 -0.19 0.11 0.00 -1.71 0.00 0.00 66.02 64.11 2b1x s SER 642 CO 0.03 0.15 1.28 -0.83 1.20 0.00 0.00 173.24 175.07 2b1x s GLY 643 N -0.91 -0.24 -0.13 9.45 0.00 -0.28 -0.88 107.32 114.33 2b1x s GLY 643 Ca 0.06 0.32 -0.00 0.00 0.00 0.00 0.00 44.72 45.09 2b1x s GLY 643 CO 0.01 2.99 -0.13 1.85 0.00 0.00 0.00 173.10 177.82 2b1x s GLU 644 N -2.20 3.36 -0.20 2.90 2.12 -0.24 -0.66 118.70 123.77 2b1x s GLU 644 Ca 0.22 -0.68 -0.09 0.00 0.36 0.00 0.00 54.97 54.78 2b1x s GLU 644 Cb 0.02 -2.63 -0.05 0.00 0.26 0.00 0.00 34.13 31.73 2b1x s GLU 644 CO -0.02 0.23 0.11 1.03 -0.54 0.00 0.00 175.26 176.07 2b1x s ARG 645 N 0.31 4.06 -0.22 4.30 0.52 -0.36 -0.92 118.95 126.63 2b1x s ARG 645 Ca -0.10 -0.29 -0.01 0.00 -0.52 0.00 0.00 55.73 54.81 2b1x s ARG 645 Cb -0.16 -3.36 0.01 0.00 0.52 0.00 0.00 34.95 31.97 2b1x s ARG 645 CO 0.05 0.22 -0.10 0.99 0.02 0.00 0.00 175.30 176.48 2b1x s THR 646 N 0.57 2.72 0.15 0.02 2.01 -0.15 -1.66 115.64 119.30 2b1x s THR 646 Ca 0.06 -0.85 0.10 0.00 0.31 0.00 0.00 61.69 61.30 2b1x s THR 646 Cb -0.12 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 2b1x s THR 646 CO 0.01 0.38 -0.18 -1.81 -0.69 0.00 0.00 174.62 172.32 2b1x s ASP 647 N 1.35 3.82 -0.24 3.53 1.01 0.13 -1.00 116.67 125.28 2b1x s ASP 647 Ca 0.03 -0.64 -0.05 0.00 0.71 0.00 0.00 52.55 52.60 2b1x s ASP 647 Cb -0.15 -0.49 -0.01 0.00 1.01 0.00 0.00 42.92 43.27 2b1x s ASP 647 CO -0.07 0.15 0.01 -0.69 0.21 0.00 0.00 175.17 174.78 2b1x s VAL 648 N -1.36 3.75 -0.10 -1.27 1.01 0.10 -1.25 120.40 121.28 2b1x s VAL 648 Ca 0.20 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 2b1x s VAL 648 Cb -0.10 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 2b1x s VAL 648 CO 0.11 0.37 0.04 -0.76 0.00 0.00 0.00 175.10 174.86 2b1x s LEU 649 N 1.53 3.79 -0.06 3.92 1.02 0.11 -1.14 118.68 127.84 2b1x s LEU 649 Ca 0.06 0.22 0.05 0.00 0.02 0.00 0.00 54.13 54.48 2b1x s LEU 649 Cb -0.15 -1.88 -0.01 0.00 0.02 0.00 0.00 46.19 44.16 2b1x s LEU 649 CO -0.00 0.38 -0.22 -0.13 0.02 0.00 0.00 176.35 176.39 2b1x s ARG 650 N -0.89 2.61 0.27 1.70 0.52 0.91 -0.43 118.95 123.64 2b1x s ARG 650 Ca 0.13 -0.85 -0.30 0.00 -0.52 0.00 0.00 55.73 54.19 2b1x s ARG 650 Cb -0.12 -2.24 -0.11 0.00 0.52 0.00 0.00 34.95 33.00 2b1x s ARG 650 CO 0.03 0.41 1.62 1.03 0.02 0.00 0.00 175.30 178.41 2b1x s ARG 651 N -0.21 4.12 -0.18 3.54 0.52 0.30 -0.11 118.95 126.93 2b1x s ARG 651 Ca -0.02 2.58 -0.04 0.00 -0.52 0.00 0.00 55.73 57.73 2b1x s ARG 651 Cb -0.13 -3.04 0.09 0.00 0.52 0.00 0.00 34.95 32.39 2b1x s ARG 651 CO 0.03 -0.66 0.24 0.00 0.02 0.00 0.00 175.30 174.93 2b1x s ALA 652 N 0.31 -0.40 0.00 2.13 0.00 -0.41 -4.81 121.76 118.57 2b1x s ALA 652 Ca 0.66 0.48 0.00 0.00 0.00 0.00 0.00 51.96 53.10 2b1x s ALA 652 Cb -0.48 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.38 2b1x s ALA 652 CO 0.44 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.56 2b1x n GLY 653 N 5.33 3.89 1.56 0.00 0.00 -1.26 -1.44 105.19 113.27 2b1x n GLY 653 Ca -0.05 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.06 2b1x n GLY 653 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2b1x n ASP 654 N 6.49 4.60 0.00 1.61 5.75 -1.26 -4.96 116.55 128.77 2b1x n ASP 654 Ca 0.00 -2.33 0.00 0.00 -0.01 0.00 0.00 54.79 52.45 2b1x n ASP 654 Cb 0.00 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.53 2b1x n ASP 654 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2b1x n SER 655 N 1.29 0.00 -4.12 -1.12 2.88 -0.52 -5.18 113.62 106.86 2b1x n SER 655 Ca 0.26 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.69 2b1x n SER 655 Cb 0.83 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.19 2b1x n SER 655 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2b1x s PHE 656 N 1.43 0.75 0.07 0.66 0.40 -1.26 -1.29 117.98 118.74 2b1x s PHE 656 Ca 0.00 -0.84 0.07 0.00 -0.60 0.00 0.00 56.93 55.56 2b1x s PHE 656 Cb 0.00 -0.45 -0.03 0.00 0.51 0.00 0.00 43.02 43.05 2b1x s PHE 656 CO 0.00 -0.18 -0.19 -0.51 0.70 0.00 0.00 175.22 175.04 2b1x s LEU 657 N -2.64 2.24 -0.27 -0.37 1.02 0.85 -4.80 118.68 114.69 2b1x s LEU 657 Ca 0.05 -0.59 -0.22 0.00 0.02 0.00 0.00 54.13 53.39 2b1x s LEU 657 Cb 0.02 -0.83 -0.01 0.00 0.02 0.00 0.00 46.19 45.39 2b1x s LEU 657 CO -0.04 0.07 0.73 -0.32 0.02 0.00 0.00 176.35 176.80 2b1x s MET 658 N -1.54 4.06 -0.02 1.70 -2.45 0.52 -0.06 119.30 121.50 2b1x s MET 658 Ca 0.05 0.63 0.17 0.00 -1.25 0.00 0.00 55.69 55.29 2b1x s MET 658 Cb -0.09 -3.68 -0.20 0.00 1.25 0.00 0.00 34.83 32.11 2b1x s MET 658 CO 0.03 -0.54 0.60 0.00 1.05 0.00 0.00 175.02 176.16 2b1x n ALA 659 N 5.95 1.88 -3.51 4.11 0.00 -0.29 -1.20 120.51 127.44 2b1x n ALA 659 Ca 0.02 -0.74 -0.13 0.00 0.00 0.00 0.00 53.44 52.59 2b1x n ALA 659 Cb 0.48 -0.75 -0.08 0.00 0.00 0.00 0.00 19.45 19.10 2b1x n ALA 659 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2b1x s LYS 660 N -2.85 0.65 -0.05 0.00 2.20 -1.16 -1.54 119.74 116.99 2b1x s LYS 660 Ca -0.05 0.84 -0.03 0.00 -0.36 0.00 0.00 55.97 56.37 2b1x s LYS 660 Cb 0.09 0.28 0.02 0.00 -1.51 0.00 0.00 37.83 36.71 2b1x s LYS 660 CO 0.83 -0.09 0.12 0.50 -0.36 0.00 0.00 175.35 176.34 2b1x s ARG 661 N 0.54 0.10 -0.20 4.03 3.52 0.08 -0.72 118.95 126.30 2b1x s ARG 661 Ca -0.02 0.24 -0.00 0.00 -0.13 0.00 0.00 55.73 55.82 2b1x s ARG 661 Cb -0.05 -0.07 0.02 0.00 -1.56 0.00 0.00 34.95 33.29 2b1x s ARG 661 CO -0.03 -0.09 -0.15 0.08 -0.81 0.00 0.00 175.30 174.31 2b1x s VAL 662 N 0.61 2.44 -0.46 7.11 1.01 -0.17 -0.66 120.40 130.28 2b1x s VAL 662 Ca -0.05 -0.87 -0.14 0.00 0.00 0.00 0.00 61.98 60.92 2b1x s VAL 662 Cb -0.06 -2.09 0.08 0.00 0.00 0.00 0.00 36.38 34.31 2b1x s VAL 662 CO -0.03 0.46 0.37 -0.69 0.00 0.00 0.00 175.10 175.21 2b1x s VAL 663 N 1.33 4.98 -0.46 2.92 1.01 -0.09 -0.98 120.40 129.11 2b1x s VAL 663 Ca 0.04 -1.17 -0.15 0.00 0.00 0.00 0.00 61.98 60.70 2b1x s VAL 663 Cb -0.14 -4.00 0.07 0.00 0.00 0.00 0.00 36.38 32.31 2b1x s VAL 663 CO -0.10 -0.57 0.38 -0.22 0.00 0.00 0.00 175.10 174.59 2b1x s LEU 664 N 1.58 5.55 0.38 3.92 2.96 -0.10 -3.97 118.68 129.01 2b1x s LEU 664 Ca 0.04 -1.30 -0.19 0.00 -0.22 0.00 0.00 54.13 52.46 2b1x s LEU 664 Cb -0.24 -2.17 -0.10 0.00 0.50 0.00 0.00 46.19 44.18 2b1x s LEU 664 CO 0.05 -0.62 0.87 -0.76 -1.32 0.00 0.00 176.35 174.57 2b1x s LEU 665 N 1.63 4.03 -0.23 -0.68 1.43 -1.26 -1.08 118.68 122.51 2b1x s LEU 665 Ca 0.04 1.56 -0.04 0.00 -1.03 0.00 0.00 54.13 54.66 2b1x s LEU 665 Cb -0.24 -4.31 -0.04 0.00 0.03 0.00 0.00 46.19 41.63 2b1x s LEU 665 CO 0.07 -0.27 2.88 0.47 0.23 0.00 0.00 176.35 179.72 2b1x n ASP 666 N -0.41 5.93 -3.82 2.29 8.00 -0.06 -4.80 116.55 123.69 2b1x n ASP 666 Ca 0.05 -2.85 -0.11 0.00 0.71 0.00 0.00 54.79 52.58 2b1x n ASP 666 Cb 0.53 -1.26 -0.08 0.00 -0.02 0.00 0.00 41.12 40.29 2b1x n ASP 666 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2b1x s GLN 667 N -0.62 0.67 -0.03 -1.24 -0.21 -1.26 -4.95 119.66 112.02 2b1x s GLN 667 Ca 0.52 -0.49 -0.04 0.00 0.02 0.00 0.00 55.36 55.37 2b1x s GLN 667 Cb 0.30 0.29 -0.01 0.00 1.00 0.00 0.00 33.01 34.59 2b1x s GLN 667 CO -0.09 -0.19 -0.07 0.25 -2.12 0.00 0.00 175.29 173.06 2b1x n THR 668 N 0.90 0.36 -2.27 -0.19 -2.24 -1.26 -4.50 114.28 105.08 2b1x n THR 668 Ca -0.20 0.35 -0.43 0.00 -2.27 0.00 0.00 64.05 61.51 2b1x n THR 668 Cb 0.58 -1.61 -0.02 0.00 -2.10 0.00 0.00 70.33 67.17 2b1x n THR 668 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2b1x s THR 669 N -1.44 4.00 0.14 4.28 2.01 -1.26 -4.68 115.64 118.70 2b1x s THR 669 Ca -0.06 1.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.84 2b1x s THR 669 Cb 0.01 -3.82 -0.07 0.00 0.01 0.00 0.00 72.50 68.63 2b1x s THR 669 CO 0.09 -0.16 0.94 -0.63 -0.69 0.00 0.00 174.62 174.17 2b1x s ILE 670 N 3.92 4.39 -0.73 1.82 -1.09 -1.26 -4.96 121.20 123.30 2b1x s ILE 670 Ca 0.62 2.04 -0.01 0.00 -2.23 0.00 0.00 60.65 61.08 2b1x s ILE 670 Cb -0.25 -4.31 0.38 0.00 -1.58 0.00 0.00 42.46 36.71 2b1x s ILE 670 CO 0.21 0.38 1.85 0.23 -1.23 0.00 0.00 174.94 176.38 2b1x n MET 671 N 2.40 2.88 -3.85 2.79 2.81 -1.26 -4.87 117.12 118.02 2b1x n MET 671 Ca 0.01 -3.66 -0.09 0.00 -1.81 0.00 0.00 57.70 52.14 2b1x n MET 671 Cb 0.49 -2.27 -0.07 0.00 -0.71 0.00 0.00 33.22 30.66 2b1x n MET 671 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 2b1x s THR 672 N -5.08 0.10 -0.85 2.03 -1.32 -1.26 -4.48 115.64 104.79 2b1x s THR 672 Ca 0.54 -1.14 0.27 0.00 -1.21 0.00 0.00 61.69 60.15 2b1x s THR 672 Cb 0.45 -1.48 0.22 0.00 -1.51 0.00 0.00 72.50 70.18 2b1x s THR 672 CO -0.29 -0.47 1.76 0.00 -2.21 0.00 0.00 174.62 173.41 2b1x n HIS 673 N -0.14 0.45 -3.65 9.09 1.44 -1.26 -4.86 115.22 116.29 2b1x n HIS 673 Ca -0.13 0.13 -0.08 0.00 -2.01 0.00 0.00 57.72 55.64 2b1x n HIS 673 Cb 0.63 -0.68 -0.02 0.00 0.12 0.00 0.00 29.99 30.04 2b1x n HIS 673 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2b1x s ASN 674 N -3.77 -0.34 -0.95 4.39 2.20 -1.26 -5.05 114.94 110.16 2b1x s ASN 674 Ca 0.12 -0.28 -0.01 0.00 -0.94 0.00 0.00 52.86 51.75 2b1x s ASN 674 Cb 0.15 0.57 0.31 0.00 -2.00 0.00 0.00 41.25 40.28 2b1x s ASN 674 CO 0.59 -1.00 1.42 0.18 -2.94 0.00 0.00 177.10 175.36 2b1x n LEU 675 N -0.40 6.11 0.08 3.54 4.77 -1.26 -4.71 117.00 125.12 2b1x n LEU 675 Ca -0.09 -5.35 0.12 0.00 -0.03 0.00 0.00 56.01 50.66 2b1x n LEU 675 Cb 0.62 -1.07 0.28 0.00 -2.33 0.00 0.00 43.42 40.91 2b1x n LEU 675 CO 0.13 1.93 0.59 0.00 -1.33 0.00 0.00 177.39 178.70 2b1x n ALA 676 N 0.67 2.65 -2.65 -1.18 0.00 -1.26 -4.83 120.51 113.91 2b1x n ALA 676 Ca 0.33 -0.15 -0.37 0.00 0.00 0.00 0.00 53.44 53.25 2b1x n ALA 676 Cb 0.33 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.42 2b1x n ALA 676 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2b1x s LEU 677 N -4.34 4.42 0.05 0.00 1.43 -1.26 -5.02 118.68 113.96 2b1x s LEU 677 Ca 0.08 0.75 -0.29 0.00 -1.03 0.00 0.00 54.13 53.64 2b1x s LEU 677 Cb 0.13 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 2b1x s LEU 677 CO 0.67 0.32 0.93 -0.63 0.23 0.00 0.00 176.35 177.87 2b1x s ILE 678 N -1.14 4.70 -2.48 -0.59 1.01 -1.26 -5.21 121.20 116.23 2b1x s ILE 678 Ca 0.23 1.98 0.20 0.00 0.00 0.00 0.00 60.65 63.06 2b1x s ILE 678 Cb -0.15 -4.28 0.16 0.00 0.01 0.00 0.00 42.46 38.20 2b1x s ILE 678 CO 0.12 0.26 1.13 0.23 0.00 0.00 0.00 174.94 176.67