#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 1.55 0.24 -1.26 -5.00 118.33 113.65 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 -3.36 0.00 0.00 -1.34 7.64 -1.26 -4.85 113.62 110.45 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 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 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 0.09 6.43 -0.08 -1.26 -4.32 116.55 117.41 2b1x n ASP 516 Ca 0.00 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.31 2b1x n ASP 516 Cb 0.00 0.00 0.40 0.00 2.34 0.00 0.00 41.12 43.86 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 1.15 -0.43 5.18 2.02 -2.01 -2.93 112.91 115.90 2b1x h THR 517 Ca 0.00 -0.62 -0.14 0.00 0.77 0.00 0.00 66.41 66.42 2b1x h THR 517 Cb 0.00 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 2b1x h THR 517 CO 0.00 0.21 -0.27 0.74 0.37 0.00 0.00 175.52 176.56 2b1x h THR 518 N 0.31 1.27 -0.32 3.16 2.02 -2.00 -2.05 112.91 115.31 2b1x h THR 518 Ca 0.07 -1.44 0.05 0.00 0.77 0.00 0.00 66.41 65.86 2b1x h THR 518 Cb 0.27 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 2b1x h THR 518 CO 0.01 0.49 0.05 0.58 0.37 0.00 0.00 175.52 177.02 2b1x h VAL 519 N 0.79 0.83 0.03 3.16 2.07 -1.84 0.28 116.25 121.56 2b1x h VAL 519 Ca 0.09 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.57 2b1x h VAL 519 Cb 0.86 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 2b1x h VAL 519 CO 0.08 0.03 -0.13 -0.09 0.02 0.00 0.00 177.57 177.47 2b1x h ARG 520 N 0.16 -0.23 -0.41 1.57 2.43 -1.42 0.12 114.38 116.61 2b1x h ARG 520 Ca 0.15 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2b1x h ARG 520 Cb 0.17 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2b1x h ARG 520 CO -0.21 -0.15 0.27 0.93 -1.51 0.00 0.00 179.97 179.30 2b1x h GLU 521 N -0.23 0.55 -0.34 0.20 5.08 -1.16 0.77 114.58 119.44 2b1x h GLU 521 Ca 0.04 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2b1x h GLU 521 Cb 0.28 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2b1x h GLU 521 CO -0.11 0.38 0.12 0.82 -1.00 0.00 0.00 179.01 179.22 2b1x h ILE 522 N 0.55 1.20 -0.17 3.13 2.04 -0.80 0.65 117.51 124.11 2b1x h ILE 522 Ca 0.15 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.38 2b1x h ILE 522 Cb -0.04 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2b1x h ILE 522 CO -0.03 0.22 0.11 0.74 0.00 0.00 0.00 178.15 179.19 2b1x h THR 523 N 0.40 1.03 -0.91 -0.27 2.02 -0.50 -0.31 112.91 114.38 2b1x h THR 523 Ca 0.11 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.22 2b1x h THR 523 Cb 0.23 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 2b1x h THR 523 CO -0.01 0.04 0.58 -0.33 0.37 0.00 0.00 175.52 176.18 2b1x h GLU 524 N 0.22 1.21 -0.58 6.66 5.08 -0.76 -1.49 114.58 124.93 2b1x h GLU 524 Ca 0.07 -0.09 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2b1x h GLU 524 Cb -0.02 -0.27 -0.05 0.00 0.50 0.00 0.00 28.75 28.91 2b1x h GLU 524 CO -0.02 0.82 0.29 2.35 -1.00 0.00 0.00 179.01 181.44 2b1x h TRP 525 N 1.24 0.53 -0.91 4.33 7.01 -0.31 -0.26 115.95 127.58 2b1x h TRP 525 Ca 0.33 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.34 2b1x h TRP 525 Cb -0.11 -0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 26.75 2b1x h TRP 525 CO -0.00 0.24 0.53 -0.07 -2.79 0.00 0.00 178.44 176.34 2b1x h LEU 526 N 0.54 1.11 -0.32 0.65 3.38 -0.34 -0.90 115.31 119.43 2b1x h LEU 526 Ca 0.26 -0.08 -0.20 0.00 0.09 0.00 0.00 57.88 57.96 2b1x h LEU 526 Cb 0.19 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2b1x h LEU 526 CO -0.19 0.86 -0.72 1.88 0.09 0.00 0.00 178.44 180.37 2b1x h TYR 527 N 1.26 0.81 -0.38 1.13 0.99 -0.62 -1.24 116.97 118.92 2b1x h TYR 527 Ca 0.32 -0.34 -0.01 0.00 2.00 0.00 0.00 58.73 60.70 2b1x h TYR 527 Cb -0.02 -0.13 -0.02 0.00 1.00 0.00 0.00 36.73 37.56 2b1x h TYR 527 CO 0.01 1.13 0.19 1.98 -0.00 0.00 0.00 178.16 181.46 2b1x h MET 528 N 0.42 0.54 -0.26 4.88 4.05 -0.95 -0.52 114.93 123.09 2b1x h MET 528 Ca -0.03 -0.08 0.05 0.00 -0.28 0.00 0.00 59.70 59.37 2b1x h MET 528 Cb 1.31 -0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 31.96 2b1x h MET 528 CO 0.14 0.47 -0.06 1.49 0.23 0.00 0.00 176.91 179.18 2b1x h GLU 529 N 0.47 0.01 -0.60 0.39 4.81 -1.02 -1.14 114.58 117.49 2b1x h GLU 529 Ca 0.13 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2b1x h GLU 529 Cb 0.10 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 2b1x h GLU 529 CO -0.02 0.00 0.20 0.00 -0.73 0.00 0.00 179.01 178.47 2b1x h ALA 530 N 1.26 0.78 -0.41 2.92 0.00 -1.02 -2.05 119.26 120.74 2b1x h ALA 530 Ca 0.13 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.91 2b1x h ALA 530 Cb 0.19 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2b1x h ALA 530 CO -0.27 0.43 0.10 1.49 0.00 0.00 0.00 179.25 181.01 2b1x h GLU 531 N 0.84 0.24 -0.28 0.00 4.81 -0.88 0.73 114.58 120.04 2b1x h GLU 531 Ca 0.19 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.44 2b1x h GLU 531 Cb 0.26 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 2b1x h GLU 531 CO -0.01 0.16 0.09 -0.07 -0.73 0.00 0.00 179.01 178.44 2b1x h LEU 532 N 0.24 0.08 -0.37 1.64 3.38 -0.81 -1.47 115.31 118.01 2b1x h LEU 532 Ca 0.20 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.22 2b1x h LEU 532 Cb 0.22 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2b1x h LEU 532 CO -0.24 0.08 0.21 -0.07 0.09 0.00 0.00 178.44 178.51 2b1x h LEU 533 N 0.21 0.33 -0.39 1.67 -0.00 -0.91 -0.46 115.31 115.76 2b1x h LEU 533 Ca 0.13 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.01 2b1x h LEU 533 Cb 0.10 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.70 2b1x h LEU 533 CO -0.14 0.24 0.00 0.47 -0.00 0.00 0.00 178.44 179.01 2b1x n ASP 534 N -4.89 0.37 -0.69 -0.43 8.00 0.21 -1.63 116.55 117.48 2b1x n ASP 534 Ca 0.01 0.59 0.12 0.00 0.71 0.00 0.00 54.79 56.21 2b1x n ASP 534 Cb 0.06 -0.67 0.10 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 -1.65 2.98 -1.42 2.24 0.00 -0.57 -4.76 120.51 117.33 2b1x n ALA 535 Ca 0.03 -0.64 -0.07 0.00 0.00 0.00 0.00 53.44 52.75 2b1x n ALA 535 Cb 0.20 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 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 1.37 0.76 2.70 0.00 0.00 -0.65 -4.93 105.19 104.44 2b1x n GLY 536 Ca 0.12 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.55 3.66 -0.08 1.61 5.02 -0.25 -4.77 118.16 120.81 2b1x n LYS 537 Ca -0.08 -3.18 -0.15 0.00 -2.02 0.00 0.00 58.31 52.88 2b1x n LYS 537 Cb 0.31 -2.93 -0.04 0.00 -0.02 0.00 0.00 35.03 32.36 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 5.49 1.10 -0.46 2.13 -1.99 -1.92 -1.73 116.97 119.59 2b1x h TYR 538 Ca 0.54 -0.39 0.02 0.00 2.00 0.00 0.00 58.73 60.90 2b1x h TYR 538 Cb 0.53 -0.21 -0.03 0.00 2.00 0.00 0.00 36.73 39.02 2b1x h TYR 538 CO 1.43 1.22 0.26 -0.09 -0.00 0.00 0.00 178.16 180.99 2b1x h ARG 539 N 0.67 0.51 -0.73 4.88 9.65 -1.94 0.65 114.38 128.07 2b1x h ARG 539 Ca 0.01 -0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 58.81 2b1x h ARG 539 Cb 1.16 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 29.59 2b1x h ARG 539 CO 0.12 0.34 0.25 0.93 2.80 0.00 0.00 179.97 184.41 2b1x h GLU 540 N 0.53 1.13 -0.71 0.20 5.08 -1.93 -2.73 114.58 116.14 2b1x h GLU 540 Ca 0.19 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2b1x h GLU 540 Cb 0.03 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 2b1x h GLU 540 CO -0.09 0.95 0.31 2.35 -1.00 0.00 0.00 179.01 181.52 2b1x h TRP 541 N 1.08 1.06 -0.11 4.33 7.01 -0.95 -2.44 115.95 125.93 2b1x h TRP 541 Ca 0.24 -0.07 0.03 0.00 2.11 0.00 0.00 58.89 61.20 2b1x h TRP 541 Cb 0.28 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 27.01 2b1x h TRP 541 CO 0.02 0.81 0.10 1.25 -2.79 0.00 0.00 178.44 177.83 2b1x h LEU 542 N 1.01 0.00 -0.24 0.65 5.85 -0.57 0.71 115.31 122.72 2b1x h LEU 542 Ca 0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2b1x h LEU 542 Cb 0.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.21 2b1x h LEU 542 CO -0.02 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.08 2b1x n ALA 543 N -2.44 1.68 1.30 1.25 0.00 -0.92 -2.65 120.51 118.73 2b1x n ALA 543 Ca -0.00 -0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2b1x n ALA 543 Cb 0.21 -1.29 0.46 0.00 0.00 0.00 0.00 19.45 18.82 2b1x n ALA 543 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2b1x n LEU 544 N -1.76 0.85 -4.84 0.00 4.77 0.24 -4.93 117.00 111.33 2b1x n LEU 544 Ca 0.03 -0.17 -0.24 0.00 -0.03 0.00 0.00 56.01 55.60 2b1x n LEU 544 Cb 0.19 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 2b1x n LEU 544 CO 0.16 0.16 -0.17 0.68 -1.33 0.00 0.00 177.39 176.89 2b1x s VAL 545 N -2.49 4.62 0.42 4.08 -7.23 -1.08 -0.59 120.40 118.13 2b1x s VAL 545 Ca 0.26 -1.17 -0.04 0.00 -1.81 0.00 0.00 61.98 59.22 2b1x s VAL 545 Cb 0.20 -3.43 -0.04 0.00 0.56 0.00 0.00 36.38 33.67 2b1x s VAL 545 CO 0.50 -0.23 0.69 0.28 -0.31 0.00 0.00 175.10 176.04 2b1x s THR 546 N -1.93 4.98 0.33 5.32 -1.32 -0.64 -4.85 115.64 117.52 2b1x s THR 546 Ca 0.32 -0.01 0.06 0.00 -1.21 0.00 0.00 61.69 60.85 2b1x s THR 546 Cb -0.09 -3.85 0.11 0.00 -1.51 0.00 0.00 72.50 67.16 2b1x s THR 546 CO 0.25 -0.71 1.82 -0.33 -2.21 0.00 0.00 174.62 173.44 2b1x h GLU 547 N 0.54 0.37 -0.96 7.08 3.07 -1.97 -2.57 114.58 120.15 2b1x h GLU 547 Ca -0.48 -0.11 -0.38 0.00 -0.50 0.00 0.00 59.36 57.88 2b1x h GLU 547 Cb 1.21 -0.04 -0.23 0.00 -0.84 0.00 0.00 28.75 28.85 2b1x h GLU 547 CO 0.62 0.55 0.49 -0.40 -1.40 0.00 0.00 179.01 178.86 2b1x n ASP 548 N -4.19 3.79 -4.59 1.42 5.75 -1.26 -4.50 116.55 112.96 2b1x n ASP 548 Ca -0.00 -3.28 -0.48 0.00 -0.01 0.00 0.00 54.79 51.01 2b1x n ASP 548 Cb 0.34 -0.77 -0.04 0.00 -1.03 0.00 0.00 41.12 39.62 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 -0.72 1.78 -4.06 -2.12 7.94 -0.97 -4.88 117.00 113.97 2b1x n LEU 549 Ca 0.47 1.14 -0.32 0.00 -1.11 0.00 0.00 56.01 56.19 2b1x n LEU 549 Cb 1.44 -1.25 -0.16 0.00 0.53 0.00 0.00 43.42 43.98 2b1x n LEU 549 CO 0.48 -1.15 -0.50 -0.55 -1.11 0.00 0.00 177.39 174.57 2b1x s SER 550 N 0.09 3.14 -0.25 1.96 0.15 -0.67 -3.84 113.70 114.27 2b1x s SER 550 Ca 0.74 -0.70 0.02 0.00 0.70 0.00 0.00 55.95 56.71 2b1x s SER 550 Cb -0.83 -1.35 0.06 0.00 -1.71 0.00 0.00 66.02 62.20 2b1x s SER 550 CO 0.51 -0.06 -0.07 -0.47 1.20 0.00 0.00 173.24 174.35 2b1x s TYR 551 N 1.36 2.87 -0.01 3.44 5.04 -0.44 -0.92 117.35 128.68 2b1x s TYR 551 Ca 0.03 -2.10 0.04 0.00 -2.44 0.00 0.00 57.07 52.59 2b1x s TYR 551 Cb -0.14 -1.83 -0.01 0.00 0.35 0.00 0.00 41.96 40.33 2b1x s TYR 551 CO -0.11 -0.84 -0.12 0.14 -1.34 0.00 0.00 175.55 173.29 2b1x s VAL 552 N 1.23 0.94 -0.36 3.14 -7.23 0.01 -0.23 120.40 117.90 2b1x s VAL 552 Ca -0.06 -0.50 0.03 0.00 -1.81 0.00 0.00 61.98 59.64 2b1x s VAL 552 Cb -0.19 -0.79 0.10 0.00 0.56 0.00 0.00 36.38 36.06 2b1x s VAL 552 CO -0.06 0.27 0.08 -0.69 -0.31 0.00 0.00 175.10 174.38 2b1x s VAL 553 N -0.25 2.38 0.86 1.32 1.01 -0.05 -0.57 120.40 125.10 2b1x s VAL 553 Ca 0.04 -2.40 -0.11 0.00 0.00 0.00 0.00 61.98 59.51 2b1x s VAL 553 Cb -0.05 -2.74 0.11 0.00 0.00 0.00 0.00 36.38 33.70 2b1x s VAL 553 CO -0.00 -0.62 1.09 -2.84 0.00 0.00 0.00 175.10 172.73 2b1x s PRO 554 N 0.83 1.53 -0.03 2.72 0.02 -1.25 -0.39 135.00 138.44 2b1x s PRO 554 Ca 0.11 1.04 -0.10 0.00 0.02 0.00 0.00 61.00 62.07 2b1x s PRO 554 Cb -0.20 -1.82 -0.05 0.00 0.02 0.00 0.00 34.50 32.45 2b1x s PRO 554 CO -0.07 -2.11 0.29 0.42 -0.33 0.00 0.00 177.00 175.20 2b1x s ILE 555 N -2.87 5.25 0.11 2.83 1.01 -1.26 -4.54 121.20 121.73 2b1x s ILE 555 Ca 0.63 0.45 0.10 0.00 0.00 0.00 0.00 60.65 61.84 2b1x s ILE 555 Cb -0.18 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 2b1x s ILE 555 CO 0.57 0.52 -0.27 -0.13 0.00 0.00 0.00 174.94 175.63 2b1x s ARG 556 N -1.29 1.51 0.08 2.79 0.52 -1.26 -0.41 118.95 120.89 2b1x s ARG 556 Ca 0.23 -1.28 0.07 0.00 -0.52 0.00 0.00 55.73 54.22 2b1x s ARG 556 Cb -0.14 -1.93 -0.03 0.00 0.52 0.00 0.00 34.95 33.37 2b1x s ARG 556 CO 0.11 0.47 -0.18 0.14 0.02 0.00 0.00 175.30 175.86 2b1x s VAL 557 N -1.00 1.47 0.13 3.52 -7.23 -0.44 -4.50 120.40 112.34 2b1x s VAL 557 Ca 0.14 -1.36 -0.31 0.00 -1.81 0.00 0.00 61.98 58.64 2b1x s VAL 557 Cb -0.10 -1.34 -0.09 0.00 0.56 0.00 0.00 36.38 35.41 2b1x s VAL 557 CO 0.05 -0.05 1.50 -0.89 -0.31 0.00 0.00 175.10 175.40 2b1x s THR 558 N -1.09 2.98 0.05 5.32 2.01 -1.26 -4.75 115.64 118.89 2b1x s THR 558 Ca 0.04 0.66 0.00 0.00 0.31 0.00 0.00 61.69 62.70 2b1x s THR 558 Cb -0.10 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 2b1x s THR 558 CO 0.03 0.04 -0.04 -0.13 -0.69 0.00 0.00 174.62 173.83 2b1x s ARG 559 N 1.37 0.59 0.74 4.92 0.52 -1.26 -5.13 118.95 120.70 2b1x s ARG 559 Ca 0.68 -1.08 -0.15 0.00 -0.52 0.00 0.00 55.73 54.66 2b1x s ARG 559 Cb -0.40 0.07 0.03 0.00 0.52 0.00 0.00 34.95 35.16 2b1x s ARG 559 CO 0.31 -0.07 1.04 -0.85 0.02 0.00 0.00 175.30 175.75 2b1x n GLU 560 N 0.49 0.45 -0.19 3.54 0.00 -1.26 -4.90 120.64 118.78 2b1x n GLU 560 Ca -0.16 0.22 0.09 0.00 0.00 0.00 0.00 57.16 57.30 2b1x n GLU 560 Cb 0.59 -2.29 0.39 0.00 0.00 0.00 0.00 31.44 30.13 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 -0.39 0.65 -0.35 3.44 2.43 -2.02 -2.01 114.38 116.12 2b1x h ARG 561 Ca -0.47 -0.04 0.10 0.00 -0.81 0.00 0.00 59.98 58.76 2b1x h ARG 561 Cb 1.32 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 2b1x h ARG 561 CO 0.47 0.43 0.26 1.49 -1.51 0.00 0.00 179.97 181.11 2b1x h GLU 562 N 0.67 0.00 -6.68 0.20 4.81 -2.03 -3.44 114.58 108.11 2b1x h GLU 562 Ca 0.34 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 59.00 2b1x h GLU 562 Cb 0.44 0.00 0.09 0.00 0.63 0.00 0.00 28.75 29.91 2b1x h GLU 562 CO -0.12 0.00 0.66 0.00 -0.73 0.00 0.00 179.01 178.81 2b1x n ALA 563 N -2.57 1.53 -0.31 2.92 0.00 -0.76 -4.89 120.51 116.42 2b1x n ALA 563 Ca 0.05 0.39 -0.05 0.00 0.00 0.00 0.00 53.44 53.84 2b1x n ALA 563 Cb 0.44 -2.32 0.07 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 3.00 1.25 -3.40 0.00 2.07 -1.90 -3.45 116.25 113.82 2b1x h VAL 564 Ca -0.46 -0.68 -0.10 0.00 0.82 0.00 0.00 66.70 66.28 2b1x h VAL 564 Cb 1.26 0.16 -0.17 0.00 -1.52 0.00 0.00 31.29 31.02 2b1x h VAL 564 CO 0.73 0.30 -0.32 0.28 0.02 0.00 0.00 177.57 178.58 2b1x s THR 565 N -5.76 0.09 -0.49 2.57 -1.32 -1.26 -5.03 115.64 104.44 2b1x s THR 565 Ca -0.13 -0.76 0.05 0.00 -1.21 0.00 0.00 61.69 59.64 2b1x s THR 565 Cb 0.16 -0.89 0.10 0.00 -1.51 0.00 0.00 72.50 70.36 2b1x s THR 565 CO 0.82 -0.42 0.96 -0.90 -2.21 0.00 0.00 174.62 172.87 2b1x n ASP 566 N 0.69 2.07 -4.69 8.08 5.68 -1.26 -4.99 116.55 122.13 2b1x n ASP 566 Ca -0.19 -1.73 -0.42 0.00 -0.50 0.00 0.00 54.79 51.95 2b1x n ASP 566 Cb 0.59 -0.07 -0.03 0.00 -1.14 0.00 0.00 41.12 40.47 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 -0.80 4.83 0.21 2.12 1.01 -1.26 -1.33 120.40 125.18 2b1x s VAL 567 Ca 0.09 1.91 -0.31 0.00 0.00 0.00 0.00 61.98 63.67 2b1x s VAL 567 Cb 0.05 -4.25 -0.10 0.00 0.00 0.00 0.00 36.38 32.08 2b1x s VAL 567 CO 0.07 0.04 1.49 -0.69 0.00 0.00 0.00 175.10 176.01 2b1x s VAL 568 N 1.87 2.68 -0.10 2.92 1.01 0.45 -4.99 120.40 124.24 2b1x s VAL 568 Ca 0.46 0.53 -0.15 0.00 0.00 0.00 0.00 61.98 62.82 2b1x s VAL 568 Cb -0.18 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 2b1x s VAL 568 CO 0.18 0.06 0.36 -1.61 0.00 0.00 0.00 175.10 174.09 2b1x s GLU 569 N 0.32 4.10 0.00 2.72 2.02 -1.26 -4.41 118.70 122.19 2b1x s GLU 569 Ca 0.64 0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.89 2b1x s GLU 569 Cb -0.42 -3.34 0.00 0.00 0.10 0.00 0.00 34.13 30.46 2b1x s GLU 569 CO 0.38 0.41 0.00 0.41 0.02 0.00 0.00 175.26 176.48 2b1x n GLY 570 N 2.74 1.87 3.01 -1.39 0.00 -1.26 -4.99 105.19 105.17 2b1x n GLY 570 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.42 0.40 0.12 1.61 -2.45 -1.26 -5.17 119.30 112.12 2b1x s MET 571 Ca 0.00 -0.72 -0.14 0.00 -1.25 0.00 0.00 55.69 53.59 2b1x s MET 571 Cb 0.00 0.03 0.02 0.00 1.25 0.00 0.00 34.83 36.13 2b1x s MET 571 CO 0.00 -0.03 0.34 0.99 1.05 0.00 0.00 175.02 177.37 2b1x s THR 572 N -1.73 0.09 0.06 10.11 2.01 -1.26 -4.27 115.64 120.65 2b1x s THR 572 Ca -0.12 -0.78 0.09 0.00 0.31 0.00 0.00 61.69 61.19 2b1x s THR 572 Cb -0.08 -1.26 -0.14 0.00 0.01 0.00 0.00 72.50 71.04 2b1x s THR 572 CO -0.02 -0.40 1.34 0.45 -0.69 0.00 0.00 174.62 175.30 2b1x h HIS 573 N 2.47 0.00 -1.87 4.92 3.86 -0.95 -3.46 115.15 120.11 2b1x h HIS 573 Ca -0.34 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 58.89 2b1x h HIS 573 Cb 1.24 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 29.48 2b1x h HIS 573 CO 0.36 0.87 0.19 1.41 0.86 0.00 0.00 177.93 181.61 2b1x s MET 574 N -2.81 0.69 -0.44 2.45 -2.45 -1.16 -4.96 119.30 110.61 2b1x s MET 574 Ca 0.02 0.95 0.05 0.00 -1.25 0.00 0.00 55.69 55.46 2b1x s MET 574 Cb 0.10 0.26 0.18 0.00 1.25 0.00 0.00 34.83 36.61 2b1x s MET 574 CO 0.80 -0.11 0.54 0.34 1.05 0.00 0.00 175.02 177.64 2b1x s ASP 575 N 0.84 -0.12 0.11 1.11 -1.08 -1.24 -0.87 116.67 115.41 2b1x s ASP 575 Ca -0.03 -1.93 0.04 0.00 -0.52 0.00 0.00 52.55 50.10 2b1x s ASP 575 Cb -0.05 1.00 -0.04 0.00 -1.46 0.00 0.00 42.92 42.37 2b1x s ASP 575 CO -0.08 -0.14 0.09 -1.81 0.52 0.00 0.00 175.17 173.74 2b1x s ASP 576 N 0.91 5.46 0.04 -0.34 1.01 0.68 -4.94 116.67 119.49 2b1x s ASP 576 Ca 0.26 -0.07 0.00 0.00 0.71 0.00 0.00 52.55 53.45 2b1x s ASP 576 Cb -0.03 -1.43 -0.00 0.00 1.01 0.00 0.00 42.92 42.47 2b1x s ASP 576 CO -0.08 0.13 0.00 -0.90 0.21 0.00 0.00 175.17 174.53 2b1x n ASP 577 N 0.18 2.11 -0.21 0.27 5.68 -1.26 -1.33 116.55 121.99 2b1x n ASP 577 Ca -0.09 -1.18 -0.04 0.00 -0.50 0.00 0.00 54.79 52.99 2b1x n ASP 577 Cb 0.53 0.03 0.14 0.00 -1.14 0.00 0.00 41.12 40.68 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 1.02 1.17 -0.34 2.12 0.00 -1.79 -1.06 119.26 120.38 2b1x h ALA 578 Ca -0.03 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 2b1x h ALA 578 Cb 0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2b1x h ALA 578 CO 0.06 0.59 -0.02 -0.44 0.00 0.00 0.00 179.25 179.44 2b1x h ASP 579 N 0.98 0.60 0.61 0.00 3.32 -1.94 -1.62 116.42 118.37 2b1x h ASP 579 Ca 0.23 -0.32 -0.17 0.00 0.02 0.00 0.00 57.03 56.78 2b1x h ASP 579 Cb 0.22 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2b1x h ASP 579 CO -0.02 0.78 -0.79 0.77 -1.72 0.00 0.00 179.24 178.26 2b1x h SER 580 N 0.41 0.17 -0.10 6.45 4.64 -1.91 -2.02 113.55 121.18 2b1x h SER 580 Ca 0.09 -0.12 -0.10 0.00 -0.47 0.00 0.00 61.79 61.19 2b1x h SER 580 Cb 0.48 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2b1x h SER 580 CO 0.02 0.88 -0.26 -0.03 -0.87 0.00 0.00 176.83 176.57 2b1x h MET 581 N 0.08 0.55 -0.38 4.77 -1.53 -1.19 -0.80 114.93 116.42 2b1x h MET 581 Ca -0.02 -0.22 -0.02 0.00 -3.44 0.00 0.00 59.70 56.00 2b1x h MET 581 Cb 1.38 -0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 32.38 2b1x h MET 581 CO 0.11 0.76 0.16 1.49 0.14 0.00 0.00 176.91 179.58 2b1x h GLU 582 N 0.48 0.57 -0.52 0.39 4.81 -1.07 -2.27 114.58 116.97 2b1x h GLU 582 Ca 0.07 -0.10 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 2b1x h GLU 582 Cb 0.71 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.93 2b1x h GLU 582 CO 0.05 0.53 0.19 1.98 -0.73 0.00 0.00 179.01 181.04 2b1x h MET 583 N 0.47 0.36 -0.40 1.92 4.05 -1.03 0.27 114.93 120.58 2b1x h MET 583 Ca 0.13 -0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.59 2b1x h MET 583 Cb 0.17 -0.08 -0.06 0.00 -0.80 0.00 0.00 31.60 30.83 2b1x h MET 583 CO -0.01 0.24 0.06 -0.09 0.23 0.00 0.00 176.91 177.33 2b1x h ARG 584 N 0.37 0.17 -0.24 0.39 2.43 -0.99 0.11 114.38 116.62 2b1x h ARG 584 Ca 0.25 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.34 2b1x h ARG 584 Cb 0.28 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2b1x h ARG 584 CO -0.26 0.12 -0.15 0.28 -1.51 0.00 0.00 179.97 178.45 2b1x h VAL 585 N 0.18 1.31 -0.76 0.20 2.07 -1.04 -2.74 116.25 115.47 2b1x h VAL 585 Ca 0.19 -1.25 0.07 0.00 0.82 0.00 0.00 66.70 66.53 2b1x h VAL 585 Cb 0.24 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 2b1x h VAL 585 CO -0.27 0.39 0.50 -0.07 0.02 0.00 0.00 177.57 178.14 2b1x h LEU 586 N 0.23 0.69 -0.15 2.57 3.38 -0.02 -1.50 115.31 120.51 2b1x h LEU 586 Ca 0.05 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2b1x h LEU 586 Cb 0.66 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2b1x h LEU 586 CO 0.04 0.44 0.06 -0.09 0.09 0.00 0.00 178.44 178.98 2b1x h ARG 587 N 0.78 0.22 0.00 1.13 2.43 -0.68 -2.45 114.38 115.80 2b1x h ARG 587 Ca 0.33 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 2b1x h ARG 587 Cb 0.30 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2b1x h ARG 587 CO -0.12 0.31 0.00 -0.07 -1.51 0.00 0.00 179.97 178.59 2b1x h LEU 588 N 0.09 0.00 -0.22 3.80 3.38 -1.05 -1.82 115.31 119.50 2b1x h LEU 588 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2b1x h LEU 588 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2b1x h LEU 588 CO -0.00 0.00 -0.45 -0.62 0.09 0.00 0.00 178.44 177.46 2b1x n GLU 589 N -2.54 0.35 -1.22 1.13 1.02 -0.64 -4.86 120.64 113.88 2b1x n GLU 589 Ca -0.01 -0.22 -0.30 0.00 -0.02 0.00 0.00 57.16 56.62 2b1x n GLU 589 Cb 0.13 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.27 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 -2.80 1.74 -1.58 2.62 -4.23 -0.68 -4.96 115.64 105.75 2b1x s THR 590 Ca 0.16 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 60.82 2b1x s THR 590 Cb 0.18 -2.56 0.50 0.00 1.34 0.00 0.00 72.50 71.96 2b1x s THR 590 CO 0.64 0.00 1.39 -0.62 -0.54 0.00 0.00 174.62 175.49 2b1x n GLU 591 N -4.49 2.66 -0.31 3.99 1.02 -1.26 -4.37 120.64 117.88 2b1x n GLU 591 Ca 0.11 -2.00 0.04 0.00 -0.02 0.00 0.00 57.16 55.29 2b1x n GLU 591 Cb 0.59 -1.59 0.05 0.00 -0.02 0.00 0.00 31.44 30.48 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 0.89 0.00 -2.92 -0.32 4.02 -1.26 -4.95 117.16 112.62 2b1x n TYR 592 Ca 0.18 -0.38 -0.44 0.00 -0.01 0.00 0.00 57.90 57.25 2b1x n TYR 592 Cb 0.58 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.81 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 -0.55 3.88 0.16 -0.72 0.00 -1.26 -4.82 120.51 117.20 2b1x n ALA 593 Ca 0.06 -4.22 0.05 0.00 0.00 0.00 0.00 53.44 49.32 2b1x n ALA 593 Cb 0.66 -3.08 0.48 0.00 0.00 0.00 0.00 19.45 17.50 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 7.13 0.17 -0.44 0.00 4.06 -1.93 -0.47 115.95 124.47 2b1x h TRP 594 Ca 0.33 -0.01 0.07 0.00 2.06 0.00 0.00 58.89 61.34 2b1x h TRP 594 Cb 0.87 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.95 2b1x h TRP 594 CO 1.12 0.23 0.30 0.00 -3.56 0.00 0.00 178.44 176.53 2b1x h ALA 595 N 1.78 2.04 -0.03 1.49 0.00 -1.92 -2.93 119.26 119.68 2b1x h ALA 595 Ca 0.04 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2b1x h ALA 595 Cb 0.22 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 17.80 2b1x h ALA 595 CO 0.01 -0.13 -0.70 0.39 0.00 0.00 0.00 179.25 178.82 2b1x n GLU 596 N -4.47 1.11 -3.37 0.00 -0.58 -0.29 -4.77 120.64 108.28 2b1x n GLU 596 Ca 0.06 -2.90 -0.15 0.00 -0.42 0.00 0.00 57.16 53.76 2b1x n GLU 596 Cb 0.30 -1.09 -0.08 0.00 -0.57 0.00 0.00 31.44 29.99 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 -2.84 1.22 0.56 1.62 -1.08 -0.60 -2.74 116.67 112.81 2b1x s ASP 597 Ca 0.37 -0.78 -0.21 0.00 -0.52 0.00 0.00 52.55 51.41 2b1x s ASP 597 Cb 0.38 0.69 -0.04 0.00 -1.46 0.00 0.00 42.92 42.48 2b1x s ASP 597 CO -0.10 -0.36 1.33 -2.84 0.52 0.00 0.00 175.17 173.72 2b1x s PRO 598 N 2.27 3.09 0.52 4.34 0.02 -1.26 -4.58 135.00 139.40 2b1x s PRO 598 Ca 0.11 2.16 -0.20 0.00 0.02 0.00 0.00 61.00 63.09 2b1x s PRO 598 Cb -0.14 -2.20 -0.06 0.00 0.02 0.00 0.00 34.50 32.12 2b1x s PRO 598 CO -0.28 -1.20 1.13 -1.25 -0.33 0.00 0.00 177.00 175.07 2b1x s PRO 599 N -2.98 3.48 0.71 5.54 0.04 -1.11 -4.95 135.00 135.74 2b1x s PRO 599 Ca 0.73 1.63 -0.15 0.00 0.04 0.00 0.00 61.00 63.25 2b1x s PRO 599 Cb -0.39 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.08 2b1x s PRO 599 CO 0.45 -0.75 1.18 -1.12 0.04 0.00 0.00 177.00 176.80 2b1x s SER 600 N -1.69 4.40 -0.18 6.66 0.01 -1.26 -4.80 113.70 116.84 2b1x s SER 600 Ca 0.70 2.27 -0.16 0.00 1.31 0.00 0.00 55.95 60.08 2b1x s SER 600 Cb -0.24 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.36 2b1x s SER 600 CO 0.28 -2.12 0.38 -0.13 0.41 0.00 0.00 173.24 172.06 2b1x s ARG 601 N -3.96 4.22 0.11 12.44 3.00 -0.22 -4.96 118.95 129.58 2b1x s ARG 601 Ca 0.72 0.21 0.03 0.00 0.00 0.00 0.00 55.73 56.69 2b1x s ARG 601 Cb -0.27 -3.50 -0.04 0.00 0.00 0.00 0.00 34.95 31.15 2b1x s ARG 601 CO 0.44 0.06 -0.09 -1.54 0.00 0.00 0.00 175.30 174.17 2b1x s SER 602 N 0.85 1.46 -0.05 0.23 1.04 -1.26 -1.36 113.70 114.61 2b1x s SER 602 Ca 0.19 -0.91 -0.02 0.00 0.48 0.00 0.00 55.95 55.70 2b1x s SER 602 Cb -0.14 0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.04 2b1x s SER 602 CO 0.07 -0.33 0.09 -0.60 0.98 0.00 0.00 173.24 173.45 2b1x s ARG 603 N -3.27 -0.01 -0.63 4.02 3.52 -0.73 -4.79 118.95 117.06 2b1x s ARG 603 Ca 0.10 0.34 -0.18 0.00 -0.13 0.00 0.00 55.73 55.86 2b1x s ARG 603 Cb 0.00 -0.30 0.12 0.00 -1.56 0.00 0.00 34.95 33.21 2b1x s ARG 603 CO -0.01 -0.23 0.72 -1.01 -0.81 0.00 0.00 175.30 173.96 2b1x s HIS 604 N 1.58 3.08 -0.34 5.12 3.76 -1.26 -1.15 115.29 126.08 2b1x s HIS 604 Ca -0.03 -1.10 -0.26 0.00 -0.15 0.00 0.00 55.06 53.52 2b1x s HIS 604 Cb -0.12 -4.00 0.01 0.00 1.11 0.00 0.00 32.58 29.57 2b1x s HIS 604 CO -0.04 -1.27 0.92 -0.06 -0.85 0.00 0.00 174.74 173.44 2b1x s PHE 605 N 2.41 3.13 -0.27 1.40 0.40 -0.14 -4.95 117.98 119.97 2b1x s PHE 605 Ca 0.13 0.87 -0.03 0.00 -0.60 0.00 0.00 56.93 57.30 2b1x s PHE 605 Cb -0.22 -3.53 0.02 0.00 0.51 0.00 0.00 43.02 39.80 2b1x s PHE 605 CO 0.04 -0.74 -0.01 0.08 0.70 0.00 0.00 175.22 175.29 2b1x s VAL 606 N 3.36 3.23 0.35 -0.44 1.01 -1.26 -1.13 120.40 125.51 2b1x s VAL 606 Ca 0.38 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.42 2b1x s VAL 606 Cb -0.13 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 2b1x s VAL 606 CO 0.16 0.11 0.17 0.42 0.00 0.00 0.00 175.10 175.96 2b1x s THR 607 N 1.37 0.36 -1.46 3.92 -4.23 -0.26 -4.89 115.64 110.45 2b1x s THR 607 Ca 0.00 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.45 2b1x s THR 607 Cb -0.17 -2.45 0.04 0.00 1.34 0.00 0.00 72.50 71.26 2b1x s THR 607 CO -0.02 0.00 0.62 0.59 -0.54 0.00 0.00 174.62 175.27 2b1x n ASN 608 N -1.20 -1.69 -4.67 3.99 5.03 -1.26 -0.83 115.26 114.63 2b1x n ASN 608 Ca -0.00 -0.94 -0.42 0.00 0.87 0.00 0.00 54.58 54.08 2b1x n ASN 608 Cb 0.64 -3.30 -0.03 0.00 -1.02 0.00 0.00 39.78 36.08 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 -3.69 3.89 -0.09 2.41 1.01 -1.26 -4.22 120.40 118.45 2b1x s VAL 609 Ca 0.24 1.15 0.03 0.00 0.00 0.00 0.00 61.98 63.40 2b1x s VAL 609 Cb -0.13 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 2b1x s VAL 609 CO 0.87 -0.06 -0.19 -0.13 0.00 0.00 0.00 175.10 175.59 2b1x s ARG 610 N 3.24 2.99 -0.08 2.72 0.52 0.14 -5.00 118.95 123.48 2b1x s ARG 610 Ca 0.63 -0.79 0.05 0.00 -0.52 0.00 0.00 55.73 55.10 2b1x s ARG 610 Cb -0.28 -2.41 -0.01 0.00 0.52 0.00 0.00 34.95 32.77 2b1x s ARG 610 CO 0.23 0.30 -0.24 0.08 0.02 0.00 0.00 175.30 175.70 2b1x s VAL 611 N 0.08 2.14 0.10 3.52 1.01 -1.26 -1.07 120.40 124.91 2b1x s VAL 611 Ca -0.08 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 60.91 2b1x s VAL 611 Cb -0.15 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 2b1x s VAL 611 CO 0.05 0.56 -0.08 0.00 0.00 0.00 0.00 175.10 175.64 2b1x s ALA 612 N 0.12 0.99 0.50 5.51 0.00 0.21 -4.98 121.76 124.10 2b1x s ALA 612 Ca -0.12 -1.27 -0.22 0.00 0.00 0.00 0.00 51.96 50.36 2b1x s ALA 612 Cb -0.16 0.11 -0.07 0.00 0.00 0.00 0.00 23.12 23.01 2b1x s ALA 612 CO 0.06 -0.16 1.17 0.95 0.00 0.00 0.00 175.76 177.78 2b1x s THR 613 N -3.13 3.03 0.00 0.00 -4.23 -1.26 -0.30 115.64 109.75 2b1x s THR 613 Ca 0.09 0.73 0.00 0.00 -1.18 0.00 0.00 61.69 61.32 2b1x s THR 613 Cb 0.02 -3.34 0.00 0.00 1.34 0.00 0.00 72.50 70.51 2b1x s THR 613 CO -0.03 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 2b1x n GLY 614 N 0.38 0.71 0.15 3.99 0.00 -0.17 -4.34 105.19 105.91 2b1x n GLY 614 Ca 0.09 -1.94 0.02 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.20 1.61 3.32 -1.97 -3.44 116.42 113.74 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 0.54 -0.67 -0.44 -1.72 0.00 0.00 179.24 176.95 2b1x s SER 616 N -6.53 4.32 0.79 6.45 0.01 -1.26 -5.09 113.70 112.39 2b1x s SER 616 Ca 0.01 -0.74 -0.14 0.00 1.31 0.00 0.00 55.95 56.40 2b1x s SER 616 Cb 0.10 -0.72 0.07 0.00 0.21 0.00 0.00 66.02 65.68 2b1x s SER 616 CO 0.73 0.01 1.21 -1.61 0.41 0.00 0.00 173.24 173.99 2b1x s GLU 617 N -3.64 1.75 0.00 12.44 0.41 -1.26 -2.59 118.70 125.81 2b1x s GLU 617 Ca 0.31 1.77 0.00 0.00 -0.41 0.00 0.00 54.97 56.64 2b1x s GLU 617 Cb -0.06 -1.79 0.00 0.00 -1.78 0.00 0.00 34.13 30.50 2b1x s GLU 617 CO 0.19 -2.13 0.00 -0.40 -0.49 0.00 0.00 175.26 172.42 2b1x n ASP 618 N -3.16 0.00 -4.46 -0.19 5.68 -1.26 -4.99 116.55 108.16 2b1x n ASP 618 Ca 0.14 0.00 -0.31 0.00 -0.50 0.00 0.00 54.79 54.12 2b1x n ASP 618 Cb 0.50 -1.04 -0.13 0.00 -1.14 0.00 0.00 41.12 39.32 2b1x n ASP 618 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2b1x s GLU 619 N -0.37 2.11 -0.01 0.11 2.02 -1.07 -0.55 118.70 120.94 2b1x s GLU 619 Ca 0.00 -0.96 0.02 0.00 0.02 0.00 0.00 54.97 54.05 2b1x s GLU 619 Cb 0.00 -2.21 -0.00 0.00 0.10 0.00 0.00 34.13 32.02 2b1x s GLU 619 CO 0.00 0.55 -0.08 -0.06 0.02 0.00 0.00 175.26 175.69 2b1x s PHE 620 N -0.92 0.74 -0.36 1.61 0.40 0.41 -1.00 117.98 118.85 2b1x s PHE 620 Ca 0.15 -0.15 -0.19 0.00 -0.60 0.00 0.00 56.93 56.13 2b1x s PHE 620 Cb -0.11 -0.49 0.00 0.00 0.51 0.00 0.00 43.02 42.93 2b1x s PHE 620 CO 0.05 -0.03 0.58 0.15 0.70 0.00 0.00 175.22 176.67 2b1x s LYS 621 N -0.08 3.61 -0.16 0.44 1.02 0.59 -0.95 119.74 124.21 2b1x s LYS 621 Ca 0.02 -0.09 0.01 0.00 0.02 0.00 0.00 55.97 55.93 2b1x s LYS 621 Cb -0.04 -3.82 0.01 0.00 -0.52 0.00 0.00 37.83 33.45 2b1x s LYS 621 CO -0.00 -0.72 -0.19 0.08 -0.92 0.00 0.00 175.35 173.60 2b1x s VAL 622 N 2.57 2.26 -0.13 3.17 1.01 -0.13 -0.62 120.40 128.53 2b1x s VAL 622 Ca 0.21 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.32 2b1x s VAL 622 Cb -0.15 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.31 2b1x s VAL 622 CO 0.14 0.53 -0.18 -0.89 0.00 0.00 0.00 175.10 174.71 2b1x s THR 623 N 0.97 1.74 0.05 3.92 2.01 -0.24 0.56 115.64 124.66 2b1x s THR 623 Ca -0.03 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.21 2b1x s THR 623 Cb -0.15 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 2b1x s THR 623 CO -0.04 0.49 -0.07 -0.94 -0.69 0.00 0.00 174.62 173.36 2b1x s SER 624 N 0.99 0.83 -0.02 3.53 1.04 -0.53 0.28 113.70 119.82 2b1x s SER 624 Ca -0.05 -0.64 -0.20 0.00 0.48 0.00 0.00 55.95 55.54 2b1x s SER 624 Cb -0.15 0.06 -0.05 0.00 0.10 0.00 0.00 66.02 65.98 2b1x s SER 624 CO -0.03 -0.27 0.59 0.20 0.98 0.00 0.00 173.24 174.71 2b1x s ASN 625 N -1.86 6.94 -0.09 7.02 0.01 -0.01 -0.72 114.94 126.23 2b1x s ASN 625 Ca -0.06 1.12 0.04 0.00 -0.71 0.00 0.00 52.86 53.25 2b1x s ASN 625 Cb -0.07 -2.36 -0.00 0.00 0.41 0.00 0.00 41.25 39.23 2b1x s ASN 625 CO -0.01 0.07 -0.24 -0.22 -1.51 0.00 0.00 177.10 175.19 2b1x s LEU 626 N -0.00 2.08 -0.18 0.60 2.96 -0.34 -1.10 118.68 122.71 2b1x s LEU 626 Ca 0.31 -0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 53.66 2b1x s LEU 626 Cb -0.18 -1.40 0.00 0.00 0.50 0.00 0.00 46.19 45.12 2b1x s LEU 626 CO 0.16 0.17 -0.14 -0.22 -1.32 0.00 0.00 176.35 175.00 2b1x s LEU 627 N 0.29 2.48 -0.23 -0.68 1.98 -0.29 -1.69 118.68 120.54 2b1x s LEU 627 Ca -0.17 -0.51 -0.06 0.00 -2.89 0.00 0.00 54.13 50.50 2b1x s LEU 627 Cb -0.18 -1.58 -0.03 0.00 0.66 0.00 0.00 46.19 45.06 2b1x s LEU 627 CO 0.08 0.03 0.04 -0.22 -1.89 0.00 0.00 176.35 174.39 2b1x s LEU 628 N 1.15 3.34 -0.12 -0.68 2.96 0.98 -0.96 118.68 125.35 2b1x s LEU 628 Ca 0.01 -0.21 -0.06 0.00 -0.22 0.00 0.00 54.13 53.65 2b1x s LEU 628 Cb -0.14 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 2b1x s LEU 628 CO -0.05 0.01 0.11 -0.47 -1.32 0.00 0.00 176.35 174.63 2b1x s TYR 629 N 1.34 3.51 -0.09 5.38 5.04 -0.30 -0.84 117.35 131.40 2b1x s TYR 629 Ca 0.05 0.46 -0.04 0.00 -2.44 0.00 0.00 57.07 55.09 2b1x s TYR 629 Cb -0.15 -1.93 0.05 0.00 0.35 0.00 0.00 41.96 40.28 2b1x s TYR 629 CO 0.02 0.66 0.19 0.50 -1.34 0.00 0.00 175.55 175.58 2b1x s ARG 630 N -0.91 0.12 0.20 4.97 3.52 -0.56 -1.77 118.95 124.52 2b1x s ARG 630 Ca 0.14 0.49 0.08 0.00 -0.13 0.00 0.00 55.73 56.31 2b1x s ARG 630 Cb -0.12 -0.16 -0.05 0.00 -1.56 0.00 0.00 34.95 33.06 2b1x s ARG 630 CO 0.03 -0.20 -0.15 0.95 -0.81 0.00 0.00 175.30 175.12 2b1x s THR 631 N 1.52 1.78 -0.01 4.11 -4.23 -0.47 -1.01 115.64 117.33 2b1x s THR 631 Ca -0.06 -2.17 -0.02 0.00 -1.18 0.00 0.00 61.69 58.26 2b1x s THR 631 Cb -0.11 -2.01 -0.00 0.00 1.34 0.00 0.00 72.50 71.71 2b1x s THR 631 CO -0.07 -0.54 0.05 -0.13 -0.54 0.00 0.00 174.62 173.39 2b1x s ARG 632 N -3.48 0.17 3.26 3.99 0.52 -1.26 -1.06 118.95 121.08 2b1x s ARG 632 Ca 0.21 -0.13 0.00 0.00 -0.52 0.00 0.00 55.73 55.30 2b1x s ARG 632 Cb -0.02 0.07 0.00 0.00 0.52 0.00 0.00 34.95 35.52 2b1x s ARG 632 CO 0.07 -0.03 0.00 0.41 0.02 0.00 0.00 175.30 175.77 2b1x n GLY 633 N 2.55 0.98 0.68 -3.53 0.00 -1.26 -3.94 105.19 100.67 2b1x n GLY 633 Ca -0.16 -0.68 0.07 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.11 3.27 -4.75 1.61 5.75 -1.26 -4.98 116.55 113.09 2b1x n ASP 634 Ca 0.00 -2.52 -0.40 0.00 -0.01 0.00 0.00 54.79 51.86 2b1x n ASP 634 Cb 0.00 -0.37 -0.05 0.00 -1.03 0.00 0.00 41.12 39.67 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 -1.93 4.02 -1.59 2.12 0.11 -1.25 -4.95 120.40 116.93 2b1x s VAL 635 Ca 0.31 1.92 -0.10 0.00 -2.93 0.00 0.00 61.98 61.18 2b1x s VAL 635 Cb 0.22 -4.23 -0.07 0.00 -1.53 0.00 0.00 36.38 30.77 2b1x s VAL 635 CO 0.11 0.41 2.86 0.00 -3.33 0.00 0.00 175.10 175.15 2b1x n ALA 636 N 1.78 7.26 -2.45 1.54 0.00 -1.26 -4.82 120.51 122.57 2b1x n ALA 636 Ca -0.00 -3.54 -0.10 0.00 0.00 0.00 0.00 53.44 49.80 2b1x n ALA 636 Cb 0.47 -3.39 -0.09 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 2.33 0.04 0.08 0.00 -1.32 -1.26 -5.18 115.64 110.33 2b1x s THR 637 Ca 0.66 -1.75 -0.16 0.00 -1.21 0.00 0.00 61.69 59.23 2b1x s THR 637 Cb 0.17 -2.20 0.03 0.00 -1.51 0.00 0.00 72.50 69.00 2b1x s THR 637 CO -0.06 -0.18 0.38 -0.72 -2.21 0.00 0.00 174.62 171.83 2b1x s TYR 638 N -4.07 -0.20 0.11 9.09 -0.85 -1.26 -4.72 117.35 115.46 2b1x s TYR 638 Ca 0.28 0.00 0.07 0.00 -0.52 0.00 0.00 57.07 56.90 2b1x s TYR 638 Cb 0.05 0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.56 2b1x s TYR 638 CO 0.06 -0.62 -0.08 -0.51 -1.52 0.00 0.00 175.55 172.89 2b1x s ASP 639 N -2.40 4.49 -0.08 -0.18 1.01 -0.18 -4.99 116.67 114.34 2b1x s ASP 639 Ca -0.01 -0.38 0.02 0.00 0.71 0.00 0.00 52.55 52.89 2b1x s ASP 639 Cb 0.01 -0.88 0.01 0.00 1.01 0.00 0.00 42.92 43.07 2b1x s ASP 639 CO -0.07 0.17 -0.12 -0.69 0.21 0.00 0.00 175.17 174.66 2b1x s VAL 640 N -1.29 1.18 -0.10 -1.27 1.01 -1.26 -1.49 120.40 117.18 2b1x s VAL 640 Ca 0.23 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 2b1x s VAL 640 Cb -0.11 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 2b1x s VAL 640 CO 0.15 0.37 -0.06 -0.76 0.00 0.00 0.00 175.10 174.79 2b1x s LEU 641 N 0.82 3.16 0.03 3.92 1.43 -0.02 -4.84 118.68 123.17 2b1x s LEU 641 Ca -0.11 -0.08 0.08 0.00 -1.03 0.00 0.00 54.13 52.99 2b1x s LEU 641 Cb -0.15 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 2b1x s LEU 641 CO 0.02 0.29 -0.24 -0.55 0.23 0.00 0.00 176.35 176.10 2b1x s SER 642 N -0.36 2.84 -0.06 2.29 0.15 -1.26 -0.01 113.70 117.28 2b1x s SER 642 Ca 0.05 -0.53 -0.31 0.00 0.70 0.00 0.00 55.95 55.87 2b1x s SER 642 Cb -0.12 -0.27 0.12 0.00 -1.71 0.00 0.00 66.02 64.04 2b1x s SER 642 CO 0.02 0.23 1.36 -0.83 1.20 0.00 0.00 173.24 175.23 2b1x s GLY 643 N -1.05 -0.33 -0.12 9.45 0.00 -0.68 -0.61 107.32 113.98 2b1x s GLY 643 Ca 0.10 0.51 -0.00 0.00 0.00 0.00 0.00 44.72 45.33 2b1x s GLY 643 CO 0.01 2.99 -0.11 1.85 0.00 0.00 0.00 173.10 177.84 2b1x s GLU 644 N -2.10 3.33 -0.23 2.90 2.12 0.21 -1.20 118.70 123.73 2b1x s GLU 644 Ca 0.22 -0.65 -0.09 0.00 0.36 0.00 0.00 54.97 54.81 2b1x s GLU 644 Cb 0.04 -2.65 -0.04 0.00 0.26 0.00 0.00 34.13 31.73 2b1x s GLU 644 CO -0.04 0.27 0.12 1.03 -0.54 0.00 0.00 175.26 176.11 2b1x s ARG 645 N 0.21 3.95 -0.29 4.30 0.52 0.10 -0.91 118.95 126.83 2b1x s ARG 645 Ca -0.07 -0.34 -0.04 0.00 -0.52 0.00 0.00 55.73 54.76 2b1x s ARG 645 Cb -0.15 -3.43 0.03 0.00 0.52 0.00 0.00 34.95 31.91 2b1x s ARG 645 CO 0.05 0.03 0.02 0.99 0.02 0.00 0.00 175.30 176.41 2b1x s THR 646 N 1.09 3.38 0.15 0.02 2.01 -0.15 -1.45 115.64 120.68 2b1x s THR 646 Ca 0.06 -1.02 0.08 0.00 0.31 0.00 0.00 61.69 61.12 2b1x s THR 646 Cb -0.14 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 2b1x s THR 646 CO 0.04 0.03 -0.08 -1.81 -0.69 0.00 0.00 174.62 172.12 2b1x s ASP 647 N 1.37 4.41 -0.21 3.53 1.01 0.19 -1.08 116.67 125.90 2b1x s ASP 647 Ca -0.01 -0.47 -0.03 0.00 0.71 0.00 0.00 52.55 52.75 2b1x s ASP 647 Cb -0.18 -0.82 -0.01 0.00 1.01 0.00 0.00 42.92 42.92 2b1x s ASP 647 CO -0.00 0.12 -0.05 -0.69 0.21 0.00 0.00 175.17 174.76 2b1x s VAL 648 N -1.55 3.32 -0.06 -1.27 1.01 -0.04 -0.95 120.40 120.87 2b1x s VAL 648 Ca 0.24 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 2b1x s VAL 648 Cb -0.10 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 2b1x s VAL 648 CO 0.15 0.44 0.01 -0.76 0.00 0.00 0.00 175.10 174.94 2b1x s LEU 649 N 1.34 3.60 -0.07 3.92 1.02 -0.13 -1.15 118.68 127.22 2b1x s LEU 649 Ca 0.04 0.11 0.05 0.00 0.02 0.00 0.00 54.13 54.35 2b1x s LEU 649 Cb -0.14 -1.92 -0.01 0.00 0.02 0.00 0.00 46.19 44.15 2b1x s LEU 649 CO -0.03 0.34 -0.24 -0.13 0.02 0.00 0.00 176.35 176.32 2b1x s ARG 650 N -1.14 2.63 0.24 1.70 0.52 0.13 -0.44 118.95 122.59 2b1x s ARG 650 Ca 0.16 -0.86 -0.31 0.00 -0.52 0.00 0.00 55.73 54.19 2b1x s ARG 650 Cb -0.11 -2.14 -0.13 0.00 0.52 0.00 0.00 34.95 33.09 2b1x s ARG 650 CO 0.05 0.29 1.58 0.54 0.02 0.00 0.00 175.30 177.79 2b1x n ARG 651 N 3.18 2.48 -3.54 3.54 1.74 0.28 -0.29 116.66 124.05 2b1x n ARG 651 Ca -0.18 0.89 -0.19 0.00 -0.77 0.00 0.00 57.85 57.60 2b1x n ARG 651 Cb 0.52 -2.66 -0.14 0.00 -1.02 0.00 0.00 32.46 29.17 2b1x n ARG 651 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2b1x s ALA 652 N 0.43 -0.20 0.00 7.54 0.00 -0.27 -4.81 121.76 124.46 2b1x s ALA 652 Ca 0.70 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.94 2b1x s ALA 652 Cb -0.56 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.35 2b1x s ALA 652 CO 0.43 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.52 2b1x n GLY 653 N 5.32 3.84 1.55 0.00 0.00 -1.26 -1.61 105.19 113.04 2b1x n GLY 653 Ca -0.06 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 6.87 4.62 0.00 1.61 5.75 -1.26 -4.96 116.55 129.17 2b1x n ASP 654 Ca 0.00 -2.34 0.00 0.00 -0.01 0.00 0.00 54.79 52.44 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 1.27 0.00 -4.10 -1.12 2.88 -0.63 -5.18 113.62 106.74 2b1x n SER 655 Ca 0.26 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.70 2b1x n SER 655 Cb 0.84 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 1.39 0.67 0.09 0.66 0.40 -1.26 -1.11 117.98 118.82 2b1x s PHE 656 Ca 0.00 -0.84 0.08 0.00 -0.60 0.00 0.00 56.93 55.57 2b1x s PHE 656 Cb 0.00 -0.42 -0.03 0.00 0.51 0.00 0.00 43.02 43.08 2b1x s PHE 656 CO 0.00 -0.21 -0.20 -0.51 0.70 0.00 0.00 175.22 175.00 2b1x s LEU 657 N -2.55 2.26 -0.31 -0.37 1.02 0.60 -4.79 118.68 114.54 2b1x s LEU 657 Ca 0.03 -0.64 -0.22 0.00 0.02 0.00 0.00 54.13 53.33 2b1x s LEU 657 Cb 0.01 -0.88 -0.00 0.00 0.02 0.00 0.00 46.19 45.34 2b1x s LEU 657 CO -0.05 0.08 0.71 -0.32 0.02 0.00 0.00 176.35 176.78 2b1x s MET 658 N -1.70 3.92 0.00 1.70 -2.45 0.24 0.20 119.30 121.21 2b1x s MET 658 Ca 0.06 0.43 0.18 0.00 -1.25 0.00 0.00 55.69 55.11 2b1x s MET 658 Cb -0.10 -3.73 -0.19 0.00 1.25 0.00 0.00 34.83 32.07 2b1x s MET 658 CO 0.03 -0.63 0.63 0.00 1.05 0.00 0.00 175.02 176.10 2b1x n ALA 659 N 6.04 2.05 -3.48 4.11 0.00 -0.30 -1.63 120.51 127.30 2b1x n ALA 659 Ca 0.01 -0.67 -0.13 0.00 0.00 0.00 0.00 53.44 52.65 2b1x n ALA 659 Cb 0.48 -0.78 -0.09 0.00 0.00 0.00 0.00 19.45 19.07 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 -2.98 0.62 -0.03 0.00 2.20 -1.08 -1.67 119.74 116.79 2b1x s LYS 660 Ca -0.05 0.79 -0.02 0.00 -0.36 0.00 0.00 55.97 56.33 2b1x s LYS 660 Cb 0.09 0.27 0.02 0.00 -1.51 0.00 0.00 37.83 36.70 2b1x s LYS 660 CO 0.83 -0.09 0.08 0.50 -0.36 0.00 0.00 175.35 176.31 2b1x s ARG 661 N 0.46 0.06 -0.18 4.03 3.52 -0.10 -0.86 118.95 125.89 2b1x s ARG 661 Ca -0.01 0.16 0.01 0.00 -0.13 0.00 0.00 55.73 55.75 2b1x s ARG 661 Cb -0.04 -0.05 0.03 0.00 -1.56 0.00 0.00 34.95 33.33 2b1x s ARG 661 CO -0.02 -0.06 -0.17 0.08 -0.81 0.00 0.00 175.30 174.32 2b1x s VAL 662 N 0.41 1.90 -0.45 7.11 1.01 -0.24 -0.81 120.40 129.32 2b1x s VAL 662 Ca -0.03 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 60.91 2b1x s VAL 662 Cb -0.04 -1.77 0.08 0.00 0.00 0.00 0.00 36.38 34.64 2b1x s VAL 662 CO -0.01 0.45 0.34 -0.69 0.00 0.00 0.00 175.10 175.19 2b1x s VAL 663 N 1.34 4.80 -0.45 2.92 1.01 0.27 -0.98 120.40 129.31 2b1x s VAL 663 Ca 0.03 -1.24 -0.16 0.00 0.00 0.00 0.00 61.98 60.62 2b1x s VAL 663 Cb -0.14 -3.91 0.05 0.00 0.00 0.00 0.00 36.38 32.38 2b1x s VAL 663 CO -0.11 -0.57 0.40 -0.22 0.00 0.00 0.00 175.10 174.60 2b1x s LEU 664 N 1.55 5.31 0.39 3.92 2.96 -0.08 -3.86 118.68 128.86 2b1x s LEU 664 Ca 0.04 -1.08 -0.22 0.00 -0.22 0.00 0.00 54.13 52.65 2b1x s LEU 664 Cb -0.24 -2.23 -0.10 0.00 0.50 0.00 0.00 46.19 44.11 2b1x s LEU 664 CO 0.04 -0.61 0.92 -0.76 -1.32 0.00 0.00 176.35 174.63 2b1x s LEU 665 N 1.82 4.06 -0.21 -0.68 1.43 -1.26 -0.62 118.68 123.21 2b1x s LEU 665 Ca 0.06 1.68 -0.03 0.00 -1.03 0.00 0.00 54.13 54.81 2b1x s LEU 665 Cb -0.21 -4.35 -0.03 0.00 0.03 0.00 0.00 46.19 41.63 2b1x s LEU 665 CO 0.09 -0.27 2.79 0.47 0.23 0.00 0.00 176.35 179.67 2b1x n ASP 666 N -0.30 5.90 -3.96 2.29 8.00 0.22 -4.84 116.55 123.87 2b1x n ASP 666 Ca 0.05 -2.82 -0.09 0.00 0.71 0.00 0.00 54.79 52.64 2b1x n ASP 666 Cb 0.53 -1.25 -0.10 0.00 -0.02 0.00 0.00 41.12 40.28 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 -0.58 0.51 -0.02 -1.24 -0.21 -1.26 -4.97 119.66 111.89 2b1x s GLN 667 Ca 0.47 -0.74 -0.02 0.00 0.02 0.00 0.00 55.36 55.10 2b1x s GLN 667 Cb 0.28 0.19 -0.01 0.00 1.00 0.00 0.00 33.01 34.48 2b1x s GLN 667 CO -0.07 -0.11 -0.03 0.25 -2.12 0.00 0.00 175.29 173.20 2b1x n THR 668 N 0.98 0.15 -2.29 -0.19 -2.24 -1.26 -4.50 114.28 104.92 2b1x n THR 668 Ca -0.20 0.41 -0.43 0.00 -2.27 0.00 0.00 64.05 61.56 2b1x n THR 668 Cb 0.58 -1.52 -0.02 0.00 -2.10 0.00 0.00 70.33 67.26 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 -1.19 4.04 0.19 4.28 2.01 -1.26 -4.70 115.64 119.01 2b1x s THR 669 Ca -0.03 1.28 -0.30 0.00 0.31 0.00 0.00 61.69 62.96 2b1x s THR 669 Cb 0.00 -3.83 -0.08 0.00 0.01 0.00 0.00 72.50 68.61 2b1x s THR 669 CO 0.04 -0.10 1.04 -0.63 -0.69 0.00 0.00 174.62 174.28 2b1x s ILE 670 N 3.47 3.99 -0.72 1.82 -1.09 -1.26 -4.97 121.20 122.44 2b1x s ILE 670 Ca 0.61 1.79 -0.00 0.00 -2.23 0.00 0.00 60.65 60.81 2b1x s ILE 670 Cb -0.26 -4.14 0.38 0.00 -1.58 0.00 0.00 42.46 36.86 2b1x s ILE 670 CO 0.20 0.34 1.78 0.23 -1.23 0.00 0.00 174.94 176.26 2b1x n MET 671 N 2.14 2.93 -3.90 2.79 2.81 -1.26 -4.86 117.12 117.77 2b1x n MET 671 Ca 0.01 -3.76 -0.08 0.00 -1.81 0.00 0.00 57.70 52.05 2b1x n MET 671 Cb 0.47 -2.27 -0.08 0.00 -0.71 0.00 0.00 33.22 30.63 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 -5.16 0.16 -0.71 2.03 -1.32 -1.26 -4.50 115.64 104.87 2b1x s THR 672 Ca 0.52 -1.29 0.26 0.00 -1.21 0.00 0.00 61.69 59.97 2b1x s THR 672 Cb 0.43 -1.37 0.28 0.00 -1.51 0.00 0.00 72.50 70.34 2b1x s THR 672 CO -0.32 -0.71 1.77 0.00 -2.21 0.00 0.00 174.62 173.15 2b1x n HIS 673 N -0.02 0.87 -3.74 9.09 1.44 -1.26 -4.89 115.22 116.72 2b1x n HIS 673 Ca -0.15 0.26 -0.06 0.00 -2.01 0.00 0.00 57.72 55.77 2b1x n HIS 673 Cb 0.62 -0.93 -0.02 0.00 0.12 0.00 0.00 29.99 29.78 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 -4.42 -0.25 -0.85 4.39 2.20 -1.26 -5.04 114.94 109.70 2b1x s ASN 674 Ca 0.10 -0.40 0.01 0.00 -0.94 0.00 0.00 52.86 51.63 2b1x s ASN 674 Cb 0.12 0.57 0.30 0.00 -2.00 0.00 0.00 41.25 40.24 2b1x s ASN 674 CO 0.57 -1.03 1.28 0.18 -2.94 0.00 0.00 177.10 175.16 2b1x n LEU 675 N -0.44 5.63 0.12 3.54 4.77 -1.26 -4.73 117.00 124.64 2b1x n LEU 675 Ca -0.06 -5.42 0.13 0.00 -0.03 0.00 0.00 56.01 50.62 2b1x n LEU 675 Cb 0.61 -0.95 0.37 0.00 -2.33 0.00 0.00 43.42 41.12 2b1x n LEU 675 CO 0.14 2.02 0.88 0.00 -1.33 0.00 0.00 177.39 179.09 2b1x h ALA 676 N 4.29 1.00 -2.84 -1.18 0.00 -1.96 -3.45 119.26 115.12 2b1x h ALA 676 Ca 0.27 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.53 2b1x h ALA 676 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 2b1x h ALA 676 CO 1.07 0.00 -0.50 -0.51 0.00 0.00 0.00 179.25 179.31 2b1x s LEU 677 N -4.79 4.26 0.10 0.00 1.43 -1.26 -5.02 118.68 113.40 2b1x s LEU 677 Ca 0.10 0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 53.28 2b1x s LEU 677 Cb 0.11 -2.04 -0.06 0.00 0.03 0.00 0.00 46.19 44.23 2b1x s LEU 677 CO 0.61 0.36 1.08 -0.63 0.23 0.00 0.00 176.35 178.00 2b1x s ILE 678 N -0.73 4.22 -2.93 -0.59 1.01 -1.26 -5.21 121.20 115.71 2b1x s ILE 678 Ca 0.13 1.73 0.23 0.00 0.00 0.00 0.00 60.65 62.75 2b1x s ILE 678 Cb -0.12 -4.11 0.19 0.00 0.01 0.00 0.00 42.46 38.43 2b1x s ILE 678 CO 0.03 0.21 1.24 0.23 0.00 0.00 0.00 174.94 176.65