#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mwe s LYS 488 N 0.00 4.60 0.45 1.61 -0.14 -1.26 -4.73 119.74 120.27 3mwe s LYS 488 Ca 0.00 1.62 -0.21 0.00 -1.36 0.00 0.00 55.97 56.02 3mwe s LYS 488 Cb 0.00 -3.33 -0.10 0.00 -1.68 0.00 0.00 37.83 32.71 3mwe s LYS 488 CO 0.00 0.06 0.97 -1.54 -0.76 0.00 0.00 175.35 174.08 3mwe s SER 489 N 0.18 6.80 0.03 2.83 1.04 -1.26 -4.97 113.70 118.35 3mwe s SER 489 Ca 0.50 1.73 -0.17 0.00 0.48 0.00 0.00 55.95 58.49 3mwe s SER 489 Cb -0.27 -2.54 -0.25 0.00 0.10 0.00 0.00 66.02 63.06 3mwe s SER 489 CO 0.32 -0.46 1.11 0.74 0.98 0.00 0.00 173.24 175.93 3mwe h THR 490 N 1.79 1.36 -3.54 2.02 2.02 -1.95 -3.43 112.91 111.18 3mwe h THR 490 Ca -0.49 -2.25 -0.63 0.00 0.77 0.00 0.00 66.41 63.81 3mwe h THR 490 Cb 1.19 2.61 -0.17 0.00 -1.74 0.00 0.00 68.15 70.04 3mwe h THR 490 CO 0.61 0.67 -0.55 -0.89 0.37 0.00 0.00 175.52 175.73 3mwe s THR 491 N -3.12 4.99 -0.24 3.16 2.01 -1.26 -4.85 115.64 116.33 3mwe s THR 491 Ca -0.11 0.05 0.07 0.00 0.31 0.00 0.00 61.69 62.00 3mwe s THR 491 Cb 0.05 -3.31 -0.19 0.00 0.01 0.00 0.00 72.50 69.06 3mwe s THR 491 CO 0.88 0.37 -0.13 0.18 -0.69 0.00 0.00 174.62 175.22 3mwe n LEU 492 N 4.26 2.04 -4.16 4.42 4.77 -1.26 -5.03 117.00 122.04 3mwe n LEU 492 Ca -0.16 -0.09 -0.12 0.00 -0.03 0.00 0.00 56.01 55.61 3mwe n LEU 492 Cb 0.52 -0.45 -0.10 0.00 -2.33 0.00 0.00 43.42 41.05 3mwe n LEU 492 CO 0.34 0.79 -0.40 -0.36 -1.33 0.00 0.00 177.39 176.43 3mwe s PHE 493 N -2.50 0.93 0.34 -1.77 0.08 -1.26 -4.92 117.98 108.87 3mwe s PHE 493 Ca -0.26 -0.77 -0.15 0.00 0.12 0.00 0.00 56.93 55.86 3mwe s PHE 493 Cb 0.08 -0.52 0.03 0.00 -0.57 0.00 0.00 43.02 42.04 3mwe s PHE 493 CO 0.66 -0.08 0.70 -1.54 -0.10 0.00 0.00 175.22 174.85 3mwe s SER 494 N -2.67 0.04 0.66 1.36 1.04 -1.26 -4.98 113.70 107.89 3mwe s SER 494 Ca 0.07 -1.03 0.27 0.00 0.48 0.00 0.00 55.95 55.75 3mwe s SER 494 Cb 0.01 0.77 1.47 0.00 0.10 0.00 0.00 66.02 68.37 3mwe s SER 494 CO -0.02 -1.49 1.84 0.03 0.98 0.00 0.00 173.24 174.57 3mwe h ARG 495 N 2.04 0.00 -0.02 4.02 3.08 -1.81 -1.26 114.38 120.43 3mwe h ARG 495 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 3mwe h ARG 495 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3mwe h ARG 495 CO 0.35 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.97 3mwe n HIS 496 N -2.95 0.00 -1.59 3.04 8.25 -1.26 -4.69 115.22 116.03 3mwe n HIS 496 Ca -0.01 -0.00 -0.49 0.00 -0.26 0.00 0.00 57.72 56.96 3mwe n HIS 496 Cb 0.47 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.53 3mwe n HIS 496 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3mwe n THR 497 N 0.83 0.63 -5.25 1.59 -1.04 -0.47 -4.99 114.28 105.58 3mwe n THR 497 Ca 0.09 -0.16 -0.31 0.00 -2.04 0.00 0.00 64.05 61.62 3mwe n THR 497 Cb 0.37 -0.92 -0.16 0.00 -1.82 0.00 0.00 70.33 67.80 3mwe n THR 497 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3mwe s LYS 498 N -0.11 2.43 0.12 -2.82 -0.14 -1.26 -4.57 119.74 113.39 3mwe s LYS 498 Ca 0.76 -0.90 0.05 0.00 -1.36 0.00 0.00 55.97 54.52 3mwe s LYS 498 Cb -0.85 -2.14 -0.04 0.00 -1.68 0.00 0.00 37.83 33.11 3mwe s LYS 498 CO 0.50 0.44 -0.13 0.00 -0.76 0.00 0.00 175.35 175.41 3mwe s ALA 499 N -0.32 1.39 -0.14 5.17 0.00 0.15 -2.20 121.76 125.81 3mwe s ALA 499 Ca 0.01 -1.28 -0.07 0.00 0.00 0.00 0.00 51.96 50.63 3mwe s ALA 499 Cb -0.13 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 3mwe s ALA 499 CO 0.02 0.05 0.09 0.42 0.00 0.00 0.00 175.76 176.34 3mwe s ILE 500 N -2.31 5.03 -0.21 0.00 1.01 0.05 -1.50 121.20 123.28 3mwe s ILE 500 Ca 0.09 0.04 -0.06 0.00 0.00 0.00 0.00 60.65 60.72 3mwe s ILE 500 Cb -0.04 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 3mwe s ILE 500 CO 0.02 0.54 0.03 -0.69 0.00 0.00 0.00 174.94 174.84 3mwe s VAL 501 N -0.36 4.22 -0.27 2.92 1.01 -0.85 -0.54 120.40 126.52 3mwe s VAL 501 Ca 0.10 -0.22 -0.13 0.00 0.00 0.00 0.00 61.98 61.73 3mwe s VAL 501 Cb -0.12 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 3mwe s VAL 501 CO 0.02 0.41 0.30 0.86 0.00 0.00 0.00 175.10 176.68 3mwe s TRP 502 N 1.04 3.24 0.00 5.22 -0.00 -0.24 -1.21 118.94 126.99 3mwe s TRP 502 Ca 0.03 0.30 0.00 0.00 -0.00 0.00 0.00 56.10 56.43 3mwe s TRP 502 Cb -0.14 -2.49 0.00 0.00 -0.00 0.00 0.00 33.47 30.83 3mwe s TRP 502 CO 0.02 -0.20 0.00 0.41 -0.00 0.00 0.00 176.95 177.19 3mwe n GLY 503 N 4.81 2.69 3.33 5.86 0.00 0.23 -1.19 105.19 120.93 3mwe n GLY 503 Ca -0.11 -2.08 -0.46 0.00 0.00 0.00 0.00 46.02 43.37 3mwe n GLY 503 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3mwe s MET 504 N -2.03 3.34 -0.42 1.61 1.75 -1.26 -4.71 119.30 117.57 3mwe s MET 504 Ca 0.00 -2.07 0.06 0.00 -1.25 0.00 0.00 55.69 52.44 3mwe s MET 504 Cb 0.00 -4.40 0.22 0.00 2.84 0.00 0.00 34.83 33.49 3mwe s MET 504 CO 0.00 -1.35 0.51 1.04 -0.65 0.00 0.00 175.02 174.57 3mwe n GLN 505 N 4.76 0.52 -0.04 4.11 1.13 -1.26 -4.98 117.38 121.62 3mwe n GLN 505 Ca 0.03 -2.95 -0.15 0.00 -1.94 0.00 0.00 57.00 51.98 3mwe n GLN 505 Cb 0.44 -1.41 -0.04 0.00 0.11 0.00 0.00 30.24 29.33 3mwe n GLN 505 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 3mwe h THR 506 N 3.24 1.28 -0.50 5.09 1.35 -2.00 -2.41 112.91 118.96 3mwe h THR 506 Ca 0.11 -1.86 -0.07 0.00 -0.55 0.00 0.00 66.41 64.05 3mwe h THR 506 Cb 0.92 1.81 -0.02 0.00 -1.73 0.00 0.00 68.15 69.13 3mwe h THR 506 CO 0.38 0.60 0.04 -0.09 -0.25 0.00 0.00 175.52 176.19 3mwe h ARG 507 N 0.59 0.80 -0.03 4.72 2.43 -1.99 -1.15 114.38 119.75 3mwe h ARG 507 Ca -0.02 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 58.95 3mwe h ARG 507 Cb 1.27 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3mwe h ARG 507 CO 0.14 0.78 0.00 0.00 -1.51 0.00 0.00 179.97 179.38 3mwe h ALA 508 N 1.28 0.03 -0.54 2.80 0.00 -1.90 -2.23 119.26 118.70 3mwe h ALA 508 Ca 0.15 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3mwe h ALA 508 Cb 0.40 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3mwe h ALA 508 CO 0.01 -0.31 0.32 0.28 0.00 0.00 0.00 179.25 179.55 3mwe h VAL 509 N -0.25 1.05 -0.64 0.00 2.07 -1.22 -1.15 116.25 116.11 3mwe h VAL 509 Ca 0.01 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.32 3mwe h VAL 509 Cb 0.31 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3mwe h VAL 509 CO 0.00 0.12 0.43 -0.61 0.02 0.00 0.00 177.57 177.52 3mwe h GLN 510 N 0.63 0.83 -0.52 1.57 5.75 -1.18 -0.62 115.11 121.57 3mwe h GLN 510 Ca 0.22 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.63 3mwe h GLN 510 Cb 0.03 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.38 3mwe h GLN 510 CO -0.10 0.55 0.17 0.78 -2.65 0.00 0.00 178.83 177.57 3mwe h GLY 511 N 0.85 0.86 0.99 2.39 0.00 -0.61 0.33 103.07 107.89 3mwe h GLY 511 Ca 0.24 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3mwe h GLY 511 CO -0.06 0.47 0.22 -0.33 0.00 0.00 0.00 176.54 176.85 3mwe h MET 512 N 0.71 0.47 -0.32 4.80 2.86 -0.47 0.15 114.93 123.12 3mwe h MET 512 Ca 0.17 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 3mwe h MET 512 Cb 0.27 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 3mwe h MET 512 CO -0.01 0.33 0.16 -0.07 1.06 0.00 0.00 176.91 178.38 3mwe h LEU 513 N 0.47 0.42 -0.91 1.22 4.07 -0.93 0.55 115.31 120.19 3mwe h LEU 513 Ca 0.13 -0.12 0.11 0.00 0.08 0.00 0.00 57.88 58.08 3mwe h LEU 513 Cb -0.03 -0.11 -0.08 0.00 1.08 0.00 0.00 40.66 41.52 3mwe h LEU 513 CO -0.03 0.42 0.54 0.44 -1.08 0.00 0.00 178.44 178.74 3mwe h ASP 514 N 0.38 0.77 -0.16 -0.43 3.32 -0.78 0.27 116.42 119.80 3mwe h ASP 514 Ca 0.11 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 3mwe h ASP 514 Cb 0.11 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3mwe h ASP 514 CO -0.01 0.41 0.02 0.15 -1.72 0.00 0.00 179.24 178.09 3mwe h PHE 515 N 0.86 0.28 -0.96 4.55 3.04 -0.21 -2.09 116.94 122.42 3mwe h PHE 515 Ca 0.45 -0.04 0.13 0.00 3.98 0.00 0.00 57.97 62.49 3mwe h PHE 515 Cb 0.46 -0.08 -0.09 0.00 2.56 0.00 0.00 35.95 38.81 3mwe h PHE 515 CO -0.04 0.44 0.58 -0.44 -2.02 0.00 0.00 178.31 176.84 3mwe h ASP 516 N 0.05 0.82 -0.16 0.41 3.32 0.11 -1.48 116.42 119.49 3mwe h ASP 516 Ca 0.05 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 3mwe h ASP 516 Cb 0.31 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3mwe h ASP 516 CO 0.00 0.41 0.00 0.22 -1.72 0.00 0.00 179.24 178.16 3mwe h TYR 517 N 0.88 0.30 0.00 4.55 3.20 -0.34 -2.11 116.97 123.46 3mwe h TYR 517 Ca 0.49 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.31 3mwe h TYR 517 Cb 0.55 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.74 3mwe h TYR 517 CO -0.02 0.49 0.00 -0.39 -1.64 0.00 0.00 178.16 176.60 3mwe h VAL 518 N 0.03 0.00 -0.00 1.81 -1.51 -0.89 -1.65 116.25 114.04 3mwe h VAL 518 Ca 0.05 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 3mwe h VAL 518 Cb 0.37 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.97 3mwe h VAL 518 CO 0.01 0.00 -0.05 0.00 -1.23 0.00 0.00 177.57 176.30 3mwe n SER 520 N -1.24 -5.47 -4.77 0.00 7.64 -0.62 -4.87 113.62 104.29 3mwe n SER 520 Ca 0.13 -0.56 -0.34 0.00 1.01 0.00 0.00 58.87 59.10 3mwe n SER 520 Cb 0.26 -5.03 0.02 0.00 -1.01 0.00 0.00 64.21 58.46 3mwe n SER 520 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3mwe s ARG 521 N -6.13 3.08 0.31 1.43 0.52 -0.81 -4.94 118.95 112.40 3mwe s ARG 521 Ca 0.47 1.56 0.11 0.00 -0.52 0.00 0.00 55.73 57.36 3mwe s ARG 521 Cb -0.21 -1.97 0.49 0.00 0.52 0.00 0.00 34.95 33.78 3mwe s ARG 521 CO 0.73 -1.06 1.69 -0.44 0.02 0.00 0.00 175.30 176.24 3mwe h ASP 522 N 0.70 0.00 -5.17 0.23 3.32 -1.90 -3.47 116.42 110.14 3mwe h ASP 522 Ca -0.49 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.47 3mwe h ASP 522 Cb 1.26 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.67 3mwe h ASP 522 CO 0.55 0.52 -0.42 -1.61 -1.72 0.00 0.00 179.24 176.57 3mwe s GLU 523 N -3.83 0.80 0.72 3.56 2.02 -1.26 -5.16 118.70 115.55 3mwe s GLU 523 Ca -0.02 -0.99 -0.16 0.00 0.02 0.00 0.00 54.97 53.82 3mwe s GLU 523 Cb 0.13 0.32 0.03 0.00 0.10 0.00 0.00 34.13 34.71 3mwe s GLU 523 CO 0.75 -0.24 1.25 -2.14 0.02 0.00 0.00 175.26 174.90 3mwe s PRO 524 N -3.83 2.13 0.02 0.39 0.02 -1.26 -4.95 135.00 127.51 3mwe s PRO 524 Ca 0.05 1.91 0.22 0.00 0.02 0.00 0.00 61.00 63.21 3mwe s PRO 524 Cb 0.05 -1.81 -0.13 0.00 0.02 0.00 0.00 34.50 32.63 3mwe s PRO 524 CO -0.11 -1.88 0.85 -1.13 -0.33 0.00 0.00 177.00 174.40 3mwe n SER 525 N -2.55 0.56 -4.51 2.53 3.41 -1.26 -4.75 113.62 107.04 3mwe n SER 525 Ca 0.15 -0.35 -0.40 0.00 -0.26 0.00 0.00 58.87 58.01 3mwe n SER 525 Cb 0.49 1.16 -0.11 0.00 -0.26 0.00 0.00 64.21 65.49 3mwe n SER 525 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3mwe s VAL 526 N -3.23 5.08 -0.15 -3.33 1.01 -1.26 0.35 120.40 118.86 3mwe s VAL 526 Ca 0.02 -0.24 0.21 0.00 0.00 0.00 0.00 61.98 61.97 3mwe s VAL 526 Cb 0.15 -3.58 -0.14 0.00 0.00 0.00 0.00 36.38 32.80 3mwe s VAL 526 CO 0.85 0.04 0.78 0.00 0.00 0.00 0.00 175.10 176.77 3mwe n ALA 527 N 5.06 2.43 -3.61 5.51 0.00 -0.56 -4.90 120.51 124.43 3mwe n ALA 527 Ca -0.13 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.87 3mwe n ALA 527 Cb 0.50 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 19.01 3mwe n ALA 527 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mwe s ALA 528 N -3.27 -2.20 0.18 0.00 0.00 -1.25 -4.46 121.76 110.77 3mwe s ALA 528 Ca -0.04 0.95 0.07 0.00 0.00 0.00 0.00 51.96 52.95 3mwe s ALA 528 Cb 0.10 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 3mwe s ALA 528 CO 0.83 -0.93 -0.15 -1.64 0.00 0.00 0.00 175.76 173.87 3mwe s MET 529 N -2.41 1.26 -0.00 0.00 -1.94 -0.44 -2.01 119.30 113.76 3mwe s MET 529 Ca 0.13 -1.50 0.04 0.00 -1.71 0.00 0.00 55.69 52.64 3mwe s MET 529 Cb 0.03 -1.10 -0.01 0.00 2.01 0.00 0.00 34.83 35.76 3mwe s MET 529 CO -0.04 0.19 -0.12 0.08 -0.01 0.00 0.00 175.02 175.12 3mwe s VAL 530 N -2.72 0.94 -0.30 -6.03 1.01 -0.35 -0.48 120.40 112.47 3mwe s VAL 530 Ca 0.19 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 3mwe s VAL 530 Cb -0.02 -0.80 0.18 0.00 0.00 0.00 0.00 36.38 35.74 3mwe s VAL 530 CO 0.06 0.22 0.89 -0.47 0.00 0.00 0.00 175.10 175.80 3mwe s TYR 531 N -0.37 -0.92 -0.71 5.22 5.04 -0.18 -0.60 117.35 124.84 3mwe s TYR 531 Ca 0.04 0.89 0.24 0.00 -2.44 0.00 0.00 57.07 55.79 3mwe s TYR 531 Cb -0.05 0.29 0.91 0.00 0.35 0.00 0.00 41.96 43.46 3mwe s TYR 531 CO -0.00 -0.51 1.73 -0.35 -1.34 0.00 0.00 175.55 175.08 3mwe n PRO 532 N 5.42 0.16 0.00 4.97 -0.04 -1.22 -3.41 135.00 140.89 3mwe n PRO 532 Ca -0.03 0.27 0.15 0.00 -0.04 0.00 0.00 63.50 63.86 3mwe n PRO 532 Cb 0.53 -1.75 0.82 0.00 -0.04 0.00 0.00 33.50 33.07 3mwe n PRO 532 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3mwe n PHE 533 N -2.04 0.00 -4.12 0.54 3.01 -1.26 -4.81 117.46 108.78 3mwe n PHE 533 Ca 0.04 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.41 3mwe n PHE 533 Cb 0.30 -0.18 -0.10 0.00 -0.01 0.00 0.00 39.48 39.49 3mwe n PHE 533 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3mwe s THR 534 N -2.37 0.12 0.69 4.37 -4.23 -1.22 -5.17 115.64 107.85 3mwe s THR 534 Ca 0.35 -1.83 -0.07 0.00 -1.18 0.00 0.00 61.69 58.96 3mwe s THR 534 Cb 0.21 -1.91 0.05 0.00 1.34 0.00 0.00 72.50 72.19 3mwe s THR 534 CO 0.42 -0.56 1.02 -0.83 -0.54 0.00 0.00 174.62 174.13 3mwe s GLY 535 N -3.01 1.66 0.78 3.99 0.00 -1.26 -4.34 107.32 105.14 3mwe s GLY 535 Ca 0.20 -0.81 -0.15 0.00 0.00 0.00 0.00 44.72 43.95 3mwe s GLY 535 CO -0.01 -0.42 0.40 1.22 0.00 0.00 0.00 173.10 174.28 3mwe n ASP 536 N -2.91 -1.79 0.00 1.64 9.92 -1.26 -4.65 116.55 117.50 3mwe n ASP 536 Ca 0.07 0.51 0.00 0.00 -0.53 0.00 0.00 54.79 54.84 3mwe n ASP 536 Cb 0.60 -1.17 0.00 0.00 -0.64 0.00 0.00 41.12 39.90 3mwe n ASP 536 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3mwe n HIS 537 N -2.64 0.00 -4.51 1.24 1.44 -0.80 -4.99 115.22 104.96 3mwe n HIS 537 Ca 0.08 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.55 3mwe n HIS 537 Cb 0.51 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.52 3mwe n HIS 537 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3mwe s LYS 538 N -1.11 1.75 0.03 -1.40 1.02 -1.26 0.14 119.74 118.90 3mwe s LYS 538 Ca 0.00 -1.87 0.03 0.00 0.02 0.00 0.00 55.97 54.15 3mwe s LYS 538 Cb 0.00 -1.67 -0.02 0.00 -0.52 0.00 0.00 37.83 35.62 3mwe s LYS 538 CO 0.00 0.19 -0.09 -1.14 -0.92 0.00 0.00 175.35 173.39 3mwe s GLN 539 N -3.59 0.60 -0.15 1.68 2.00 0.23 -4.87 119.66 115.56 3mwe s GLN 539 Ca 0.31 -0.60 -0.10 0.00 -2.00 0.00 0.00 55.36 52.97 3mwe s GLN 539 Cb 0.00 -0.49 -0.05 0.00 0.80 0.00 0.00 33.01 33.27 3mwe s GLN 539 CO 0.15 0.11 0.17 0.21 -0.50 0.00 0.00 175.29 175.44 3mwe s LYS 540 N -1.07 3.92 0.27 1.67 2.20 -1.26 -0.77 119.74 124.70 3mwe s LYS 540 Ca -0.04 -0.10 -0.03 0.00 -0.36 0.00 0.00 55.97 55.44 3mwe s LYS 540 Cb -0.07 -3.33 -0.02 0.00 -1.51 0.00 0.00 37.83 32.90 3mwe s LYS 540 CO 0.00 0.48 0.33 -0.06 -0.36 0.00 0.00 175.35 175.75 3mwe s PHE 541 N -0.19 1.00 -0.21 4.03 0.08 -0.83 -4.99 117.98 116.87 3mwe s PHE 541 Ca 0.13 -1.22 0.02 0.00 0.12 0.00 0.00 56.93 55.97 3mwe s PHE 541 Cb -0.12 -0.26 0.04 0.00 -0.57 0.00 0.00 43.02 42.11 3mwe s PHE 541 CO 0.02 -0.89 -0.13 0.71 -0.10 0.00 0.00 175.22 174.82 3mwe s TYR 542 N -3.74 2.81 -1.24 0.36 2.02 -1.26 -0.94 117.35 115.36 3mwe s TYR 542 Ca 0.33 -1.85 -0.12 0.00 -0.37 0.00 0.00 57.07 55.05 3mwe s TYR 542 Cb 0.02 -1.82 0.17 0.00 -0.40 0.00 0.00 41.96 39.94 3mwe s TYR 542 CO 0.15 -0.81 1.60 1.87 -1.57 0.00 0.00 175.55 176.80 3mwe n TRP 543 N 4.58 4.18 -0.13 2.71 -0.00 0.49 -4.66 117.44 124.61 3mwe n TRP 543 Ca -0.16 -3.14 0.00 0.00 -0.00 0.00 0.00 57.50 54.20 3mwe n TRP 543 Cb 0.46 -2.08 0.00 0.00 -0.00 0.00 0.00 31.31 29.69 3mwe n TRP 543 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3mwe n GLY 544 N 3.56 0.60 0.11 5.87 0.00 -1.26 -3.42 105.19 110.65 3mwe n GLY 544 Ca 0.38 -1.02 0.12 0.00 0.00 0.00 0.00 46.02 45.50 3mwe n GLY 544 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3mwe h HIS 545 N 0.00 0.00 -3.56 1.61 3.86 -1.98 -3.47 115.15 111.61 3mwe h HIS 545 Ca 0.00 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 3mwe h HIS 545 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 3mwe h HIS 545 CO 0.00 0.00 0.46 0.21 0.86 0.00 0.00 177.93 179.46 3mwe s LYS 546 N -3.26 4.61 0.08 2.45 2.20 -1.22 -5.03 119.74 119.57 3mwe s LYS 546 Ca 0.04 1.67 -0.20 0.00 -0.36 0.00 0.00 55.97 57.11 3mwe s LYS 546 Cb 0.10 -3.30 -0.07 0.00 -1.51 0.00 0.00 37.83 33.06 3mwe s LYS 546 CO 0.74 0.10 0.60 -2.00 -0.36 0.00 0.00 175.35 174.43 3mwe s GLU 547 N -0.30 4.25 0.16 4.03 2.12 -1.26 -0.38 118.70 127.32 3mwe s GLU 547 Ca 0.49 0.79 -0.00 0.00 0.36 0.00 0.00 54.97 56.61 3mwe s GLU 547 Cb -0.28 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 3mwe s GLU 547 CO 0.34 0.62 0.06 0.96 -0.54 0.00 0.00 175.26 176.69 3mwe s ILE 548 N -1.07 0.24 -0.09 -3.70 -4.36 -0.11 -4.88 121.20 107.23 3mwe s ILE 548 Ca 0.30 -1.94 0.02 0.00 -0.26 0.00 0.00 60.65 58.77 3mwe s ILE 548 Cb -0.20 -2.15 -0.02 0.00 1.25 0.00 0.00 42.46 41.34 3mwe s ILE 548 CO 0.20 -0.38 -0.15 -0.76 0.24 0.00 0.00 174.94 174.09 3mwe s LEU 549 N -3.11 2.66 -0.17 0.37 1.43 -1.26 -1.96 118.68 116.65 3mwe s LEU 549 Ca 0.27 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 3mwe s LEU 549 Cb 0.07 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.74 3mwe s LEU 549 CO 0.04 0.25 -0.20 -0.63 0.23 0.00 0.00 176.35 176.04 3mwe s ILE 550 N -0.17 2.08 0.50 -0.59 1.01 0.05 -4.93 121.20 119.16 3mwe s ILE 550 Ca -0.01 -0.95 -0.22 0.00 0.00 0.00 0.00 60.65 59.47 3mwe s ILE 550 Cb -0.13 -1.86 -0.06 0.00 0.01 0.00 0.00 42.46 40.42 3mwe s ILE 550 CO 0.03 0.54 1.28 -2.84 0.00 0.00 0.00 174.94 173.95 3mwe s PRO 551 N 1.15 3.43 -0.16 2.79 0.02 -1.26 -0.60 135.00 140.37 3mwe s PRO 551 Ca 0.02 2.04 0.01 0.00 0.02 0.00 0.00 61.00 63.08 3mwe s PRO 551 Cb -0.14 -2.34 0.02 0.00 0.02 0.00 0.00 34.50 32.07 3mwe s PRO 551 CO -0.10 -0.89 -0.16 0.08 -0.33 0.00 0.00 177.00 175.60 3mwe s VAL 552 N -1.40 1.74 -0.06 3.83 1.01 0.12 -1.33 120.40 124.31 3mwe s VAL 552 Ca 0.68 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 3mwe s VAL 552 Cb -0.35 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 3mwe s VAL 552 CO 0.42 0.46 0.08 -0.36 0.00 0.00 0.00 175.10 175.71 3mwe s PHE 553 N 1.41 3.36 0.09 5.22 0.08 0.37 -1.90 117.98 126.61 3mwe s PHE 553 Ca 0.05 0.31 -0.12 0.00 0.12 0.00 0.00 56.93 57.28 3mwe s PHE 553 Cb -0.13 -1.82 -0.18 0.00 -0.57 0.00 0.00 43.02 40.32 3mwe s PHE 553 CO -0.11 0.59 1.25 -0.22 -0.10 0.00 0.00 175.22 176.63 3mwe h LYS 554 N 4.64 0.72 -5.23 0.44 3.64 -1.76 -0.45 116.57 118.57 3mwe h LYS 554 Ca -0.51 -0.69 -0.64 0.00 -1.27 0.00 0.00 60.65 57.54 3mwe h LYS 554 Cb 1.20 0.17 -0.23 0.00 -0.41 0.00 0.00 32.23 32.96 3mwe h LYS 554 CO 0.59 1.28 -0.69 -0.80 -2.27 0.00 0.00 179.45 177.56 3mwe s ASN 555 N -7.20 4.62 0.28 4.20 -0.87 -1.26 -3.42 114.94 111.30 3mwe s ASN 555 Ca -0.10 -0.21 0.02 0.00 -1.57 0.00 0.00 52.86 51.01 3mwe s ASN 555 Cb 0.08 -1.76 0.60 0.00 -0.02 0.00 0.00 41.25 40.14 3mwe s ASN 555 CO 0.91 0.13 1.81 -0.03 -2.57 0.00 0.00 177.10 177.34 3mwe h MET 556 N 7.02 0.83 -0.39 -0.60 1.85 -1.97 -1.90 114.93 119.77 3mwe h MET 556 Ca -0.32 -0.05 0.07 0.00 -0.61 0.00 0.00 59.70 58.79 3mwe h MET 556 Cb 1.19 -0.19 -0.07 0.00 0.43 0.00 0.00 31.60 32.96 3mwe h MET 556 CO 0.61 0.55 -0.02 0.00 -0.40 0.00 0.00 176.91 177.65 3mwe h ALA 557 N 1.57 0.34 -0.82 0.39 0.00 -1.99 -0.71 119.26 118.04 3mwe h ALA 557 Ca 0.51 0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.67 3mwe h ALA 557 Cb 0.63 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 3mwe h ALA 557 CO -0.31 -0.41 0.43 -0.44 0.00 0.00 0.00 179.25 178.52 3mwe h ASP 558 N 0.08 0.55 -0.12 0.00 3.32 -1.78 0.31 116.42 118.78 3mwe h ASP 558 Ca 0.19 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 3mwe h ASP 558 Cb 0.28 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 3mwe h ASP 558 CO -0.34 0.27 -0.04 0.00 -1.72 0.00 0.00 179.24 177.41 3mwe h ALA 559 N 1.51 0.17 0.22 3.45 0.00 -1.24 -1.18 119.26 122.19 3mwe h ALA 559 Ca 0.42 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3mwe h ALA 559 Cb 0.52 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3mwe h ALA 559 CO -0.32 -0.07 -0.25 0.52 0.00 0.00 0.00 179.25 179.13 3mwe h MET 560 N -0.08 -0.50 -0.34 0.00 2.86 -0.51 -0.78 114.93 115.57 3mwe h MET 560 Ca 0.03 0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.76 3mwe h MET 560 Cb 0.48 0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.20 3mwe h MET 560 CO 0.01 -0.34 0.05 -0.09 1.06 0.00 0.00 176.91 177.61 3mwe h ARG 561 N -0.52 0.16 0.00 1.72 2.43 -0.41 -1.83 114.38 115.93 3mwe h ARG 561 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3mwe h ARG 561 Cb 0.50 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3mwe h ARG 561 CO -0.08 0.11 0.00 1.63 -1.51 0.00 0.00 179.97 180.12 3mwe n LYS 562 N -5.11 0.20 -3.19 0.20 5.02 -0.45 -4.07 118.16 110.76 3mwe n LYS 562 Ca 0.01 0.30 -0.22 0.00 -2.02 0.00 0.00 58.31 56.39 3mwe n LYS 562 Cb 0.16 -1.80 -0.05 0.00 -0.02 0.00 0.00 35.03 33.32 3mwe n LYS 562 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3mwe n HIS 563 N -2.16 0.48 0.84 2.13 8.25 -0.31 -4.91 115.22 119.54 3mwe n HIS 563 Ca 0.04 -3.75 0.09 0.00 -0.26 0.00 0.00 57.72 53.83 3mwe n HIS 563 Cb 0.32 -0.41 0.44 0.00 1.12 0.00 0.00 29.99 31.46 3mwe n HIS 563 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3mwe n PRO 564 N 0.71 0.26 0.00 -0.41 -0.04 -1.02 -1.33 135.00 133.17 3mwe n PRO 564 Ca 0.24 0.12 0.14 0.00 -0.04 0.00 0.00 63.50 63.96 3mwe n PRO 564 Cb 0.57 -1.50 0.69 0.00 -0.04 0.00 0.00 33.50 33.23 3mwe n PRO 564 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3mwe n GLU 565 N -1.27 0.25 -2.80 0.54 0.00 -1.26 -4.80 120.64 111.29 3mwe n GLU 565 Ca 0.08 0.01 -0.42 0.00 0.00 0.00 0.00 57.16 56.83 3mwe n GLU 565 Cb 0.14 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.04 3mwe n GLU 565 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3mwe s VAL 566 N -2.75 4.86 0.00 3.84 1.01 -0.44 -4.39 120.40 122.53 3mwe s VAL 566 Ca 0.22 1.84 0.00 0.00 0.00 0.00 0.00 61.98 64.04 3mwe s VAL 566 Cb 0.19 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.35 3mwe s VAL 566 CO 0.48 0.07 0.82 -0.90 0.00 0.00 0.00 175.10 175.57 3mwe n ASP 567 N 4.75 1.51 -4.04 3.32 5.75 -0.93 -4.41 116.55 122.51 3mwe n ASP 567 Ca 0.06 -1.68 -0.19 0.00 -0.01 0.00 0.00 54.79 52.97 3mwe n ASP 567 Cb 0.49 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.44 3mwe n ASP 567 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3mwe s VAL 568 N -0.68 0.79 -0.09 2.12 1.01 -1.21 -1.19 120.40 121.15 3mwe s VAL 568 Ca 0.00 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.59 3mwe s VAL 568 Cb 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.72 3mwe s VAL 568 CO 0.00 0.23 -0.21 -0.22 0.00 0.00 0.00 175.10 174.90 3mwe s LEU 569 N -0.19 1.96 -0.32 3.92 0.20 -0.68 -0.77 118.68 122.81 3mwe s LEU 569 Ca 0.03 -0.48 -0.11 0.00 0.69 0.00 0.00 54.13 54.26 3mwe s LEU 569 Cb -0.04 -1.24 -0.02 0.00 -0.43 0.00 0.00 46.19 44.46 3mwe s LEU 569 CO -0.00 0.13 0.19 -0.63 -0.29 0.00 0.00 176.35 175.75 3mwe s ILE 570 N 0.41 4.97 -0.47 6.68 1.01 0.29 -1.42 121.20 132.68 3mwe s ILE 570 Ca -0.17 -0.26 -0.11 0.00 0.00 0.00 0.00 60.65 60.11 3mwe s ILE 570 Cb -0.17 -3.52 0.10 0.00 0.01 0.00 0.00 42.46 38.88 3mwe s ILE 570 CO 0.07 0.06 0.35 0.21 0.00 0.00 0.00 174.94 175.64 3mwe s ASN 571 N 1.68 5.82 -0.15 3.58 3.84 0.46 -1.08 114.94 129.09 3mwe s ASN 571 Ca 0.06 -1.70 0.10 0.00 0.21 0.00 0.00 52.86 51.53 3mwe s ASN 571 Cb -0.17 -2.06 0.57 0.00 -0.55 0.00 0.00 41.25 39.04 3mwe s ASN 571 CO 0.09 -0.67 1.38 0.49 -2.79 0.00 0.00 177.10 175.60 3mwe n PHE 572 N 5.00 1.40 -1.60 0.43 3.72 -0.33 -1.60 117.46 124.47 3mwe n PHE 572 Ca -0.10 -0.50 -0.43 0.00 -0.05 0.00 0.00 57.45 56.38 3mwe n PHE 572 Cb 0.42 -0.35 -0.00 0.00 -0.94 0.00 0.00 39.48 38.60 3mwe n PHE 572 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mwe n ALA 573 N 0.51 0.06 -1.18 4.37 0.00 -1.25 -4.86 120.51 118.15 3mwe n ALA 573 Ca 0.19 0.30 -0.30 0.00 0.00 0.00 0.00 53.44 53.64 3mwe n ALA 573 Cb 0.87 -2.06 0.14 0.00 0.00 0.00 0.00 19.45 18.41 3mwe n ALA 573 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3mwe s SER 574 N -0.64 3.34 0.58 0.00 1.04 -1.26 -4.35 113.70 112.40 3mwe s SER 574 Ca 0.61 1.46 0.37 0.00 0.48 0.00 0.00 55.95 58.87 3mwe s SER 574 Cb -0.61 -2.14 1.67 0.00 0.10 0.00 0.00 66.02 65.03 3mwe s SER 574 CO 0.59 -2.72 2.09 0.17 0.98 0.00 0.00 173.24 174.35 3mwe h LEU 575 N -1.61 0.00 -0.19 2.42 8.10 -1.93 0.45 115.31 122.56 3mwe h LEU 575 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.49 3mwe h LEU 575 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.51 3mwe h LEU 575 CO 0.55 0.00 0.00 0.54 -4.11 0.00 0.00 178.44 175.42 3mwe n ARG 576 N -3.06 0.21 -0.00 0.17 1.74 -1.26 -3.75 116.66 110.71 3mwe n ARG 576 Ca -0.00 0.25 0.03 0.00 -0.77 0.00 0.00 57.85 57.35 3mwe n ARG 576 Cb 0.23 -1.78 -0.03 0.00 -1.02 0.00 0.00 32.46 29.86 3mwe n ARG 576 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3mwe n SER 577 N -2.15 1.21 -0.21 0.55 7.64 0.03 -4.78 113.62 115.92 3mwe n SER 577 Ca 0.05 -0.45 -0.04 0.00 1.01 0.00 0.00 58.87 59.43 3mwe n SER 577 Cb 0.36 1.07 0.14 0.00 -1.01 0.00 0.00 64.21 64.76 3mwe n SER 577 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mwe h ALA 578 N 0.68 1.15 0.12 -0.43 0.00 -1.33 -2.16 119.26 117.29 3mwe h ALA 578 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3mwe h ALA 578 Cb 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3mwe h ALA 578 CO 0.00 0.60 -0.06 -0.92 0.00 0.00 0.00 179.25 178.87 3mwe h TYR 579 N 0.97 -0.15 -0.23 0.00 3.20 -1.86 -1.79 116.97 117.11 3mwe h TYR 579 Ca 0.22 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.10 3mwe h TYR 579 Cb 0.24 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 3mwe h TYR 579 CO 0.02 0.33 0.12 -0.44 -1.64 0.00 0.00 178.16 176.55 3mwe h ASP 580 N -0.79 0.20 -0.61 -2.11 3.32 -1.89 -0.46 116.42 114.08 3mwe h ASP 580 Ca -0.02 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 3mwe h ASP 580 Cb 0.55 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 3mwe h ASP 580 CO 0.03 0.15 0.32 0.77 -1.72 0.00 0.00 179.24 178.78 3mwe h SER 581 N 0.26 0.80 -0.24 6.45 4.64 -1.47 -0.44 113.55 123.55 3mwe h SER 581 Ca 0.09 -0.07 -0.17 0.00 -0.47 0.00 0.00 61.79 61.17 3mwe h SER 581 Cb 0.01 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.89 3mwe h SER 581 CO -0.05 0.67 -0.50 0.74 -0.87 0.00 0.00 176.83 176.82 3mwe h THR 582 N 0.89 1.30 -0.92 2.95 2.02 -0.90 -1.52 112.91 116.73 3mwe h THR 582 Ca 0.22 -1.71 0.00 0.00 0.77 0.00 0.00 66.41 65.70 3mwe h THR 582 Cb 0.07 1.77 -0.05 0.00 -1.74 0.00 0.00 68.15 68.21 3mwe h THR 582 CO -0.03 0.54 0.59 0.24 0.37 0.00 0.00 175.52 177.23 3mwe h MET 583 N 0.49 1.23 -0.34 6.66 2.07 -0.76 -2.87 114.93 121.41 3mwe h MET 583 Ca 0.00 -0.09 -0.06 0.00 -2.07 0.00 0.00 59.70 57.48 3mwe h MET 583 Cb 1.11 -0.27 -0.01 0.00 -1.87 0.00 0.00 31.60 30.56 3mwe h MET 583 CO 0.11 0.83 -0.03 1.49 1.07 0.00 0.00 176.91 180.38 3mwe h GLU 584 N 1.26 0.63 -0.91 1.72 4.81 -0.96 -2.64 114.58 118.48 3mwe h GLU 584 Ca 0.33 -0.22 0.21 0.00 -0.13 0.00 0.00 59.36 59.56 3mwe h GLU 584 Cb -0.11 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.16 3mwe h GLU 584 CO -0.07 0.77 0.60 1.15 -0.73 0.00 0.00 179.01 180.73 3mwe h THR 585 N 0.43 0.66 -0.00 0.32 2.02 -1.06 -0.59 112.91 114.68 3mwe h THR 585 Ca 0.09 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3mwe h THR 585 Cb 0.50 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3mwe h THR 585 CO 0.02 0.07 0.00 0.23 0.37 0.00 0.00 175.52 176.21 3mwe n MET 586 N -4.51 1.04 0.00 6.66 2.81 -1.00 -1.74 117.12 120.38 3mwe n MET 586 Ca 0.20 -0.05 0.15 0.00 -1.81 0.00 0.00 57.70 56.18 3mwe n MET 586 Cb 0.72 -1.41 0.74 0.00 -0.71 0.00 0.00 33.22 32.56 3mwe n MET 586 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3mwe n ASN 587 N -0.85 0.57 -4.05 7.83 3.02 -0.23 -4.66 115.26 116.89 3mwe n ASN 587 Ca 0.20 -1.05 -0.32 0.00 -0.03 0.00 0.00 54.58 53.38 3mwe n ASN 587 Cb 0.10 -0.02 -0.15 0.00 -0.61 0.00 0.00 39.78 39.10 3mwe n ASN 587 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3mwe s TYR 588 N -2.11 3.53 -0.72 3.10 2.02 -0.71 -5.00 117.35 117.46 3mwe s TYR 588 Ca 0.40 -2.66 0.19 0.00 -0.37 0.00 0.00 57.07 54.63 3mwe s TYR 588 Cb 0.21 -2.48 0.80 0.00 -0.40 0.00 0.00 41.96 40.09 3mwe s TYR 588 CO 0.38 -0.92 1.58 0.00 -1.57 0.00 0.00 175.55 175.03 3mwe n ALA 589 N 4.35 1.63 0.29 3.71 0.00 -1.26 -1.98 120.51 127.25 3mwe n ALA 589 Ca -0.05 0.02 0.18 0.00 0.00 0.00 0.00 53.44 53.60 3mwe n ALA 589 Cb 0.42 -1.31 0.77 0.00 0.00 0.00 0.00 19.45 19.33 3mwe n ALA 589 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 3mwe h GLN 590 N 0.00 0.00 -6.05 0.00 3.07 -1.94 -3.40 115.11 106.79 3mwe h GLN 590 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 58.65 58.14 3mwe h GLN 590 Cb 0.30 0.00 -0.11 0.00 0.08 0.00 0.00 27.48 27.75 3mwe h GLN 590 CO 0.00 0.01 0.61 0.42 0.09 0.00 0.00 178.83 179.96 3mwe s ILE 591 N -3.76 4.39 -0.13 1.86 -1.09 -0.84 -4.06 121.20 117.58 3mwe s ILE 591 Ca 0.00 0.53 0.21 0.00 -2.23 0.00 0.00 60.65 59.16 3mwe s ILE 591 Cb 0.10 -4.51 -0.19 0.00 -1.58 0.00 0.00 42.46 36.28 3mwe s ILE 591 CO 0.53 -1.01 0.66 0.54 -1.23 0.00 0.00 174.94 174.43 3mwe n ARG 592 N 7.42 0.64 -3.85 2.79 5.12 -0.33 -4.84 116.66 123.60 3mwe n ARG 592 Ca 0.04 -0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.78 3mwe n ARG 592 Cb 0.48 -1.67 -0.17 0.00 -1.16 0.00 0.00 32.46 29.95 3mwe n ARG 592 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3mwe s THR 593 N -3.24 0.13 -0.13 0.55 2.01 -1.10 -1.35 115.64 112.51 3mwe s THR 593 Ca -0.05 0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.13 3mwe s THR 593 Cb 0.11 -0.26 0.01 0.00 0.01 0.00 0.00 72.50 72.36 3mwe s THR 593 CO 0.85 0.16 -0.22 -0.63 -0.69 0.00 0.00 174.62 174.09 3mwe s ILE 594 N 1.32 2.16 -0.26 1.82 1.01 -0.22 -1.68 121.20 125.34 3mwe s ILE 594 Ca -0.06 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.52 3mwe s ILE 594 Cb -0.13 -1.86 -0.05 0.00 0.01 0.00 0.00 42.46 40.44 3mwe s ILE 594 CO -0.02 0.55 0.21 0.00 0.00 0.00 0.00 174.94 175.67 3mwe s ALA 595 N 0.66 3.56 -0.31 9.38 0.00 -0.51 -0.78 121.76 133.76 3mwe s ALA 595 Ca -0.10 -0.97 -0.10 0.00 0.00 0.00 0.00 51.96 50.79 3mwe s ALA 595 Cb -0.16 -2.46 -0.01 0.00 0.00 0.00 0.00 23.12 20.49 3mwe s ALA 595 CO 0.02 -0.43 0.15 0.42 0.00 0.00 0.00 175.76 175.92 3mwe s ILE 596 N 1.54 4.63 -0.03 0.00 1.01 -0.04 -0.40 121.20 127.90 3mwe s ILE 596 Ca 0.09 -0.39 -0.10 0.00 0.00 0.00 0.00 60.65 60.25 3mwe s ILE 596 Cb -0.15 -3.35 -0.31 0.00 0.01 0.00 0.00 42.46 38.67 3mwe s ILE 596 CO 0.09 0.08 0.72 0.40 0.00 0.00 0.00 174.94 176.23 3mwe h ILE 597 N 5.64 1.00 -2.52 2.92 1.08 -1.50 -3.24 117.51 120.89 3mwe h ILE 597 Ca -0.32 -2.58 -0.60 0.00 -0.39 0.00 0.00 64.86 60.97 3mwe h ILE 597 Cb 1.15 2.78 0.09 0.00 -3.07 0.00 0.00 36.82 37.77 3mwe h ILE 597 CO 0.61 0.85 0.47 0.00 -0.69 0.00 0.00 178.15 179.39 3mwe n ALA 598 N -2.82 0.51 -2.47 1.87 0.00 -1.26 -3.10 120.51 113.23 3mwe n ALA 598 Ca -0.23 0.42 -0.28 0.00 0.00 0.00 0.00 53.44 53.35 3mwe n ALA 598 Cb 1.07 -2.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 3mwe n ALA 598 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3mwe s GLU 599 N -0.63 3.62 0.00 0.00 2.02 -1.26 -0.22 118.70 122.23 3mwe s GLU 599 Ca 0.67 0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.70 3mwe s GLU 599 Cb -0.70 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 30.94 3mwe s GLU 599 CO 0.52 0.13 0.00 0.41 0.02 0.00 0.00 175.26 176.34 3mwe n GLY 600 N -1.25 0.79 3.69 -1.39 0.00 -1.26 -4.75 105.19 101.02 3mwe n GLY 600 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3mwe n GLY 600 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mwe s ILE 601 N -2.13 3.91 0.31 -0.61 1.01 -1.26 -4.96 121.20 117.47 3mwe s ILE 601 Ca 0.00 1.27 -0.28 0.00 0.00 0.00 0.00 60.65 61.64 3mwe s ILE 601 Cb 0.00 -3.82 -0.13 0.00 0.01 0.00 0.00 42.46 38.52 3mwe s ILE 601 CO 0.00 -0.01 1.03 -2.65 0.00 0.00 0.00 174.94 173.32 3mwe n PRO 602 N 5.35 1.43 -0.31 2.79 -0.02 -1.26 -4.80 135.00 138.19 3mwe n PRO 602 Ca 0.12 0.50 0.02 0.00 -2.02 0.00 0.00 63.50 62.13 3mwe n PRO 602 Cb 0.45 -1.92 0.16 0.00 -0.02 0.00 0.00 33.50 32.17 3mwe n PRO 602 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3mwe h GLU 603 N 1.99 0.86 -0.09 -0.52 5.08 -1.99 -1.53 114.58 118.38 3mwe h GLU 603 Ca -0.41 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 57.87 3mwe h GLU 603 Cb 1.33 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 3mwe h GLU 603 CO 0.60 0.57 -0.10 0.00 -1.00 0.00 0.00 179.01 179.08 3mwe h ALA 604 N 1.44 1.67 -0.11 3.43 0.00 -2.00 -0.99 119.26 122.70 3mwe h ALA 604 Ca 0.40 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 3mwe h ALA 604 Cb 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3mwe h ALA 604 CO -0.22 0.24 -0.33 -0.07 0.00 0.00 0.00 179.25 178.87 3mwe h LEU 605 N 0.13 0.48 -1.72 0.00 3.38 -1.67 -3.21 115.31 112.69 3mwe h LEU 605 Ca 0.03 -0.60 0.03 0.00 0.09 0.00 0.00 57.88 57.43 3mwe h LEU 605 Cb 0.26 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3mwe h LEU 605 CO 0.01 1.00 0.25 0.74 0.09 0.00 0.00 178.44 180.53 3mwe h THR 606 N -0.02 1.01 -0.54 0.22 2.02 -0.76 -1.40 112.91 113.45 3mwe h THR 606 Ca -0.01 -0.12 -0.08 0.00 0.77 0.00 0.00 66.41 66.97 3mwe h THR 606 Cb 0.95 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 3mwe h THR 606 CO 0.07 0.07 0.02 0.03 0.37 0.00 0.00 175.52 176.08 3mwe h ARG 607 N 0.36 0.90 -0.54 6.66 3.08 -1.22 -1.13 114.38 122.50 3mwe h ARG 607 Ca 0.15 -0.25 -0.10 0.00 0.07 0.00 0.00 59.98 59.85 3mwe h ARG 607 Cb 0.16 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3mwe h ARG 607 CO -0.03 0.88 -0.07 0.87 -1.07 0.00 0.00 179.97 180.55 3mwe h LYS 608 N 0.84 0.98 -0.44 0.04 1.57 -1.30 -0.57 116.57 117.69 3mwe h LYS 608 Ca 0.16 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 3mwe h LYS 608 Cb 0.47 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 3mwe h LYS 608 CO 0.02 1.00 0.23 -0.07 -0.57 0.00 0.00 179.45 180.06 3mwe h LEU 609 N 0.88 0.56 -0.52 2.94 3.38 -1.01 -2.20 115.31 119.35 3mwe h LEU 609 Ca 0.15 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3mwe h LEU 609 Cb 0.61 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3mwe h LEU 609 CO 0.04 0.51 0.34 0.40 0.09 0.00 0.00 178.44 179.82 3mwe h ILE 610 N 0.57 1.13 -0.19 1.22 2.04 -1.04 0.32 117.51 121.56 3mwe h ILE 610 Ca 0.15 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.79 3mwe h ILE 610 Cb 0.08 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 3mwe h ILE 610 CO -0.02 0.13 0.09 0.50 0.00 0.00 0.00 178.15 178.85 3mwe h LYS 611 N 0.70 0.19 -0.12 2.37 3.64 -0.95 0.16 116.57 122.55 3mwe h LYS 611 Ca 0.19 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 3mwe h LYS 611 Cb -0.07 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3mwe h LYS 611 CO -0.05 0.13 0.01 -0.22 -2.27 0.00 0.00 179.45 177.05 3mwe h LYS 612 N 0.20 0.21 -0.50 1.90 3.64 -1.22 -1.36 116.57 119.44 3mwe h LYS 612 Ca 0.08 -0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.49 3mwe h LYS 612 Cb 0.02 -0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 31.73 3mwe h LYS 612 CO -0.06 0.43 -0.05 0.00 -2.27 0.00 0.00 179.45 177.51 3mwe h ALA 613 N 0.77 0.42 -0.66 5.00 0.00 -0.71 0.11 119.26 124.18 3mwe h ALA 613 Ca 0.04 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3mwe h ALA 613 Cb 0.33 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3mwe h ALA 613 CO 0.00 -0.41 0.23 -0.44 0.00 0.00 0.00 179.25 178.64 3mwe h ASP 614 N 0.07 0.94 -0.84 0.00 3.32 -0.58 -0.38 116.42 118.96 3mwe h ASP 614 Ca 0.25 -0.19 0.07 0.00 0.02 0.00 0.00 57.03 57.18 3mwe h ASP 614 Cb 0.38 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 3mwe h ASP 614 CO -0.45 0.88 0.51 1.56 -1.72 0.00 0.00 179.24 180.01 3mwe h GLN 615 N 0.95 0.87 -0.01 3.56 4.20 -0.07 -3.07 115.11 121.55 3mwe h GLN 615 Ca 0.22 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3mwe h GLN 615 Cb 0.26 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3mwe h GLN 615 CO -0.01 0.58 -0.32 1.63 -0.67 0.00 0.00 178.83 180.03 3mwe n LYS 616 N -4.67 0.82 -1.07 1.46 4.76 0.25 -4.94 118.16 114.77 3mwe n LYS 616 Ca 0.13 -0.53 -0.02 0.00 -2.87 0.00 0.00 58.31 55.01 3mwe n LYS 616 Cb 0.21 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 31.90 3mwe n LYS 616 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mwe n GLY 617 N 1.37 0.57 3.73 0.72 0.00 -0.28 -4.73 105.19 106.57 3mwe n GLY 617 Ca 0.11 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 3mwe n GLY 617 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mwe s VAL 618 N -2.09 5.16 -0.08 1.61 1.01 -0.47 -4.05 120.40 121.48 3mwe s VAL 618 Ca 0.00 1.00 -0.25 0.00 0.00 0.00 0.00 61.98 62.74 3mwe s VAL 618 Cb 0.00 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 3mwe s VAL 618 CO 0.00 0.33 0.77 -0.89 0.00 0.00 0.00 175.10 175.31 3mwe s THR 619 N 0.53 4.99 -0.10 3.92 2.01 -0.46 -4.44 115.64 122.08 3mwe s THR 619 Ca 0.27 1.56 0.00 0.00 0.31 0.00 0.00 61.69 63.83 3mwe s THR 619 Cb -0.16 -4.10 -0.02 0.00 0.01 0.00 0.00 72.50 68.23 3mwe s THR 619 CO 0.11 0.19 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.51 3mwe s ILE 620 N 1.14 3.42 -0.23 1.82 1.01 -1.26 -1.05 121.20 126.04 3mwe s ILE 620 Ca 0.40 -0.56 -0.00 0.00 0.00 0.00 0.00 60.65 60.49 3mwe s ILE 620 Cb -0.18 -2.42 0.03 0.00 0.01 0.00 0.00 42.46 39.90 3mwe s ILE 620 CO 0.18 0.55 -0.11 -0.63 0.00 0.00 0.00 174.94 174.93 3mwe s ILE 621 N -0.17 2.54 0.00 2.92 1.01 0.04 -2.18 121.20 125.37 3mwe s ILE 621 Ca 0.01 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 59.57 3mwe s ILE 621 Cb -0.13 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.07 3mwe s ILE 621 CO 0.03 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.84 3mwe n GLY 622 N 4.62 -0.63 1.29 6.18 0.00 -1.22 -0.86 105.19 114.56 3mwe n GLY 622 Ca -0.17 -2.18 -0.10 0.00 0.00 0.00 0.00 46.02 43.57 3mwe n GLY 622 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3mwe n PRO 623 N 0.00 -0.93 -3.72 1.61 -0.02 -1.26 0.19 135.00 130.88 3mwe n PRO 623 Ca 0.00 -0.67 -0.22 0.00 -2.02 0.00 0.00 63.50 60.58 3mwe n PRO 623 Cb 0.00 -0.51 0.03 0.00 -0.02 0.00 0.00 33.50 33.01 3mwe n PRO 623 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mwe n ALA 624 N -3.43 -1.91 -2.62 3.55 0.00 0.70 -4.15 120.51 112.65 3mwe n ALA 624 Ca -0.07 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 3mwe n ALA 624 Cb 0.20 -2.32 -0.11 0.00 0.00 0.00 0.00 19.45 17.22 3mwe n ALA 624 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3mwe s THR 625 N -3.61 0.48 -0.43 0.00 -1.32 -1.18 -3.25 115.64 106.33 3mwe s THR 625 Ca 0.09 -1.36 0.25 0.00 -1.21 0.00 0.00 61.69 59.47 3mwe s THR 625 Cb -0.05 -0.93 0.33 0.00 -1.51 0.00 0.00 72.50 70.34 3mwe s THR 625 CO 0.81 -0.60 1.70 1.62 -2.21 0.00 0.00 174.62 175.94 3mwe h VAL 626 N 3.97 0.00 0.00 5.08 3.04 -1.86 -3.40 116.25 123.09 3mwe h VAL 626 Ca -0.35 -0.80 0.00 0.00 -1.01 0.00 0.00 66.70 64.55 3mwe h VAL 626 Cb 1.19 1.79 0.00 0.00 -2.01 0.00 0.00 31.29 32.25 3mwe h VAL 626 CO 0.50 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.67 3mwe n GLY 627 N 0.95 1.78 0.00 3.17 0.00 -1.26 -4.16 105.19 105.66 3mwe n GLY 627 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3mwe n GLY 627 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mwe n GLY 628 N 0.00 -2.26 3.64 -0.02 0.00 -1.26 -1.03 105.19 104.25 3mwe n GLY 628 Ca 0.00 -1.31 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 3mwe n GLY 628 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3mwe s ILE 629 N -2.37 -0.00 -0.42 -0.61 2.07 0.44 -1.41 121.20 118.90 3mwe s ILE 629 Ca 0.00 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.28 3mwe s ILE 629 Cb 0.00 -1.00 0.11 0.00 0.13 0.00 0.00 42.46 41.70 3mwe s ILE 629 CO 0.00 0.00 0.14 -0.75 -1.91 0.00 0.00 174.94 172.42 3mwe s LYS 630 N 1.26 1.70 0.19 3.50 2.20 0.19 -0.94 119.74 127.84 3mwe s LYS 630 Ca -0.07 -2.18 -0.31 0.00 -0.36 0.00 0.00 55.97 53.04 3mwe s LYS 630 Cb -0.05 -3.26 -0.16 0.00 -1.51 0.00 0.00 37.83 32.85 3mwe s LYS 630 CO -0.14 -1.01 1.02 -2.30 -0.36 0.00 0.00 175.35 172.56 3mwe n PRO 631 N 3.79 0.93 0.00 4.03 -0.02 -1.25 -0.53 135.00 141.95 3mwe n PRO 631 Ca 0.04 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3mwe n PRO 631 Cb 0.38 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 3mwe n PRO 631 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mwe n GLY 632 N 1.80 2.74 1.35 -1.23 0.00 -1.21 -3.87 105.19 104.77 3mwe n GLY 632 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3mwe n GLY 632 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mwe s PHE 634 N -2.00 -0.36 -0.02 0.00 5.36 -0.49 -4.40 117.98 116.07 3mwe s PHE 634 Ca 0.00 0.74 0.00 0.00 -0.96 0.00 0.00 56.93 56.71 3mwe s PHE 634 Cb 0.00 0.42 0.02 0.00 -0.34 0.00 0.00 43.02 43.13 3mwe s PHE 634 CO 0.00 -0.26 0.02 0.21 -1.46 0.00 0.00 175.22 173.73 3mwe s LYS 635 N -0.53 0.08 -0.38 10.12 2.20 -1.26 0.57 119.74 130.54 3mwe s LYS 635 Ca 0.01 0.12 -0.23 0.00 -0.36 0.00 0.00 55.97 55.52 3mwe s LYS 635 Cb -0.02 -0.30 0.01 0.00 -1.51 0.00 0.00 37.83 36.01 3mwe s LYS 635 CO -0.03 -0.13 0.77 0.42 -0.36 0.00 0.00 175.35 176.02 3mwe s ILE 636 N 0.91 4.73 0.00 5.43 1.01 -0.50 -4.88 121.20 127.89 3mwe s ILE 636 Ca -0.08 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.33 3mwe s ILE 636 Cb -0.11 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.13 3mwe s ILE 636 CO -0.02 -0.49 0.00 0.61 0.00 0.00 0.00 174.94 175.04 3mwe n GLY 637 N 4.64 3.50 0.12 6.18 0.00 -1.26 -1.22 105.19 117.15 3mwe n GLY 637 Ca 0.02 0.19 0.15 0.00 0.00 0.00 0.00 46.02 46.38 3mwe n GLY 637 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mwe n ASN 638 N 6.01 0.37 -4.68 1.61 5.03 -1.26 -4.55 115.26 117.79 3mwe n ASN 638 Ca 0.00 -1.16 -0.45 0.00 0.87 0.00 0.00 54.58 53.84 3mwe n ASN 638 Cb 0.00 -0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 38.72 3mwe n ASN 638 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 3mwe n THR 639 N -0.69 0.04 -0.31 3.41 -1.04 -0.36 -1.41 114.28 113.93 3mwe n THR 639 Ca 0.22 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 3mwe n THR 639 Cb 0.17 -1.67 0.00 0.00 -1.82 0.00 0.00 70.33 67.01 3mwe n THR 639 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mwe n GLY 640 N 3.61 0.68 7.00 3.41 0.00 -1.26 -4.75 105.19 113.88 3mwe n GLY 640 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3mwe n GLY 640 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mwe n GLY 641 N -2.00 2.07 3.83 -0.02 0.00 -0.50 -4.03 105.19 104.54 3mwe n GLY 641 Ca 0.00 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 3mwe n GLY 641 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3mwe s MET 642 N 0.00 2.96 0.43 1.61 -1.94 -1.26 -4.83 119.30 116.27 3mwe s MET 642 Ca 0.00 0.88 0.22 0.00 -1.71 0.00 0.00 55.69 55.08 3mwe s MET 642 Cb 0.00 -2.00 1.20 0.00 2.01 0.00 0.00 34.83 36.04 3mwe s MET 642 CO 0.00 -1.06 1.79 -0.07 -0.01 0.00 0.00 175.02 175.67 3mwe h LEU 643 N -0.69 0.35 -0.91 -0.03 3.38 -1.95 0.28 115.31 115.73 3mwe h LEU 643 Ca -0.44 0.06 0.13 0.00 0.09 0.00 0.00 57.88 57.72 3mwe h LEU 643 Cb 1.21 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.88 3mwe h LEU 643 CO 0.58 0.07 0.53 0.44 0.09 0.00 0.00 178.44 180.16 3mwe h ASP 644 N 0.31 0.74 0.38 -0.43 3.32 -1.93 0.11 116.42 118.91 3mwe h ASP 644 Ca 0.57 0.07 -0.32 0.00 0.02 0.00 0.00 57.03 57.36 3mwe h ASP 644 Cb 1.61 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 41.10 3mwe h ASP 644 CO -0.22 0.37 -1.49 -1.13 -1.72 0.00 0.00 179.24 175.04 3mwe h ASN 645 N 0.81 0.59 -0.99 6.45 -1.24 -0.72 -2.07 115.58 118.41 3mwe h ASN 645 Ca 0.47 -0.72 0.08 0.00 0.71 0.00 0.00 56.30 56.84 3mwe h ASN 645 Cb 0.54 -0.19 -0.07 0.00 0.73 0.00 0.00 38.32 39.33 3mwe h ASN 645 CO -0.30 1.58 0.64 0.40 -1.29 0.00 0.00 177.43 178.46 3mwe h ILE 646 N 0.10 1.04 0.18 2.57 1.08 -1.08 -0.72 117.51 120.69 3mwe h ILE 646 Ca -0.24 -0.38 -0.28 0.00 -0.39 0.00 0.00 64.86 63.57 3mwe h ILE 646 Cb 2.08 -0.16 0.03 0.00 -3.07 0.00 0.00 36.82 35.69 3mwe h ILE 646 CO 0.21 0.20 -1.19 -0.07 -0.69 0.00 0.00 178.15 176.62 3mwe h LEU 647 N 1.11 0.73 -1.17 1.44 3.38 -0.99 0.62 115.31 120.43 3mwe h LEU 647 Ca 0.44 -0.90 -0.05 0.00 0.09 0.00 0.00 57.88 57.46 3mwe h LEU 647 Cb 0.26 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3mwe h LEU 647 CO -0.19 1.57 0.06 0.00 0.09 0.00 0.00 178.44 179.97 3mwe h ALA 648 N 0.16 1.32 -0.66 1.53 0.00 -1.17 -2.40 119.26 118.05 3mwe h ALA 648 Ca -0.20 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3mwe h ALA 648 Cb 1.92 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3mwe h ALA 648 CO 0.22 0.47 0.00 0.43 0.00 0.00 0.00 179.25 180.38 3mwe n SER 649 N -4.29 3.87 -3.89 0.00 7.64 -0.29 -4.95 113.62 111.71 3mwe n SER 649 Ca 0.02 -2.12 -0.31 0.00 1.01 0.00 0.00 58.87 57.47 3mwe n SER 649 Cb 0.23 -0.48 0.01 0.00 -1.01 0.00 0.00 64.21 62.95 3mwe n SER 649 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3mwe n LYS 650 N 1.35 -4.61 -0.01 1.43 5.02 -0.90 -4.74 118.16 115.69 3mwe n LYS 650 Ca 0.23 0.53 0.03 0.00 -2.02 0.00 0.00 58.31 57.08 3mwe n LYS 650 Cb 0.65 -5.36 0.15 0.00 -0.02 0.00 0.00 35.03 30.45 3mwe n LYS 650 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3mwe n LEU 651 N -4.45 0.18 -0.56 -0.35 4.77 0.16 -3.19 117.00 113.56 3mwe n LEU 651 Ca 0.04 -0.08 0.13 0.00 -0.03 0.00 0.00 56.01 56.07 3mwe n LEU 651 Cb 0.52 -0.02 0.34 0.00 -2.33 0.00 0.00 43.42 41.93 3mwe n LEU 651 CO 0.74 0.04 0.71 0.00 -1.33 0.00 0.00 177.39 177.55 3mwe n TYR 652 N -0.48 0.00 -3.72 -1.77 0.18 -1.26 -3.30 117.16 106.82 3mwe n TYR 652 Ca 0.05 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.69 3mwe n TYR 652 Cb 0.05 -0.02 -0.09 0.00 -0.38 0.00 0.00 39.34 38.89 3mwe n TYR 652 CO 0.00 0.00 0.00 -0.98 -2.08 0.00 0.00 176.86 173.80 3mwe s ARG 653 N -2.14 0.61 0.61 -3.48 3.03 -1.19 -3.74 118.95 112.65 3mwe s ARG 653 Ca 0.31 0.27 -0.19 0.00 2.03 0.00 0.00 55.73 58.15 3mwe s ARG 653 Cb 0.20 0.29 -0.03 0.00 -1.03 0.00 0.00 34.95 34.38 3mwe s ARG 653 CO 0.38 -0.13 1.27 -2.14 -1.13 0.00 0.00 175.30 173.55 3mwe s PRO 654 N -0.48 2.82 0.00 3.89 0.02 -1.25 -4.69 135.00 135.31 3mwe s PRO 654 Ca -0.06 1.99 0.00 0.00 0.02 0.00 0.00 61.00 62.95 3mwe s PRO 654 Cb -0.03 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.54 3mwe s PRO 654 CO 0.03 -1.37 0.00 0.41 -0.33 0.00 0.00 177.00 175.74 3mwe n GLY 655 N 0.72 6.24 0.74 0.52 0.00 -0.61 -4.88 105.19 107.92 3mwe n GLY 655 Ca 0.14 -2.03 0.09 0.00 0.00 0.00 0.00 46.02 44.22 3mwe n GLY 655 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3mwe n SER 656 N -0.48 2.59 -4.42 1.61 7.64 -0.97 -3.68 113.62 115.91 3mwe n SER 656 Ca 0.00 -1.77 -0.37 0.00 1.01 0.00 0.00 58.87 57.75 3mwe n SER 656 Cb 0.00 -0.05 -0.12 0.00 -1.01 0.00 0.00 64.21 63.03 3mwe n SER 656 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3mwe s VAL 657 N -1.39 4.27 0.16 0.44 1.01 -1.01 -1.55 120.40 122.33 3mwe s VAL 657 Ca 0.23 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.94 3mwe s VAL 657 Cb 0.15 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 3mwe s VAL 657 CO 0.22 0.26 0.23 0.00 0.00 0.00 0.00 175.10 175.81 3mwe s ALA 658 N 1.59 3.83 0.11 5.51 0.00 -0.09 0.03 121.76 132.75 3mwe s ALA 658 Ca 0.05 -1.10 -0.13 0.00 0.00 0.00 0.00 51.96 50.78 3mwe s ALA 658 Cb -0.16 -1.63 0.02 0.00 0.00 0.00 0.00 23.12 21.35 3mwe s ALA 658 CO 0.04 0.52 0.32 1.52 0.00 0.00 0.00 175.76 178.16 3mwe s TYR 659 N -1.75 -0.07 -0.02 0.00 -0.85 -0.73 0.33 117.35 114.26 3mwe s TYR 659 Ca 0.33 -0.28 -0.05 0.00 -0.52 0.00 0.00 57.07 56.55 3mwe s TYR 659 Cb -0.11 0.14 0.01 0.00 0.38 0.00 0.00 41.96 42.38 3mwe s TYR 659 CO 0.27 -0.64 0.12 0.54 -1.52 0.00 0.00 175.55 174.31 3mwe s VAL 660 N -3.82 0.04 0.24 -3.49 0.11 -0.63 -2.49 120.40 110.37 3mwe s VAL 660 Ca 0.04 -0.34 -0.12 0.00 -2.93 0.00 0.00 61.98 58.63 3mwe s VAL 660 Cb 0.03 -0.28 -0.01 0.00 -1.53 0.00 0.00 36.38 34.59 3mwe s VAL 660 CO -0.12 -0.19 0.45 -0.94 -3.33 0.00 0.00 175.10 170.97 3mwe s SER 661 N -0.61 -0.07 0.03 3.54 1.04 -0.93 -1.93 113.70 114.78 3mwe s SER 661 Ca -0.07 -0.97 -0.17 0.00 0.48 0.00 0.00 55.95 55.22 3mwe s SER 661 Cb -0.04 0.57 -0.26 0.00 0.10 0.00 0.00 66.02 66.38 3mwe s SER 661 CO 0.01 -1.11 1.10 0.03 0.98 0.00 0.00 173.24 174.24 3mwe h ARG 662 N 2.29 0.55 -5.93 4.02 3.08 -1.83 0.81 114.38 117.37 3mwe h ARG 662 Ca -0.27 -0.67 -0.57 0.00 0.07 0.00 0.00 59.98 58.54 3mwe h ARG 662 Cb 1.25 0.21 -0.07 0.00 0.08 0.00 0.00 29.97 31.44 3mwe h ARG 662 CO 0.37 1.27 0.19 0.45 -1.07 0.00 0.00 179.97 181.18 3mwe s SER 663 N -7.14 6.91 0.24 7.04 0.15 -1.26 -1.55 113.70 118.10 3mwe s SER 663 Ca -0.11 1.11 -0.02 0.00 0.70 0.00 0.00 55.95 57.62 3mwe s SER 663 Cb 0.05 -2.41 0.28 0.00 -1.71 0.00 0.00 66.02 62.23 3mwe s SER 663 CO 0.89 -0.24 1.70 1.23 1.20 0.00 0.00 173.24 178.02 3mwe h GLY 664 N 7.58 0.80 0.72 9.45 0.00 -1.92 -0.63 103.07 119.07 3mwe h GLY 664 Ca -0.35 -0.61 0.04 0.00 0.00 0.00 0.00 47.33 46.41 3mwe h GLY 664 CO 0.78 0.56 0.10 -1.33 0.00 0.00 0.00 176.54 176.65 3mwe h GLY 665 N 0.97 0.38 2.00 4.60 0.00 -2.01 -2.61 103.07 106.41 3mwe h GLY 665 Ca 0.11 -0.05 -0.14 0.00 0.00 0.00 0.00 47.33 47.24 3mwe h GLY 665 CO 0.04 0.02 -0.69 -0.33 0.00 0.00 0.00 176.54 175.58 3mwe h MET 666 N 0.23 0.00 -0.93 4.80 2.07 -1.94 -2.80 114.93 116.35 3mwe h MET 666 Ca 0.14 0.00 0.04 0.00 -2.07 0.00 0.00 59.70 57.80 3mwe h MET 666 Cb 0.12 0.00 -0.06 0.00 -1.87 0.00 0.00 31.60 29.79 3mwe h MET 666 CO -0.15 0.69 0.60 0.77 1.07 0.00 0.00 176.91 179.89 3mwe h SER 667 N 0.00 1.00 0.03 1.22 0.02 -0.99 0.41 113.55 115.24 3mwe h SER 667 Ca -0.01 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.82 3mwe h SER 667 Cb 1.22 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 3mwe h SER 667 CO 0.09 0.68 -0.37 -1.13 -1.14 0.00 0.00 176.83 174.96 3mwe h ASN 668 N 1.16 0.48 -0.64 3.07 -1.24 -1.29 0.58 115.58 117.70 3mwe h ASN 668 Ca 0.37 -0.20 -0.06 0.00 0.71 0.00 0.00 56.30 57.12 3mwe h ASN 668 Cb 0.01 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 38.90 3mwe h ASN 668 CO -0.12 0.81 0.17 -0.08 -1.29 0.00 0.00 177.43 176.91 3mwe h GLU 669 N 0.39 1.04 -0.68 6.67 4.57 -1.15 -2.15 114.58 123.27 3mwe h GLU 669 Ca 0.04 -0.23 -0.06 0.00 -1.18 0.00 0.00 59.36 57.93 3mwe h GLU 669 Cb 0.82 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.24 3mwe h GLU 669 CO 0.07 0.92 0.19 -0.07 -1.18 0.00 0.00 179.01 178.94 3mwe h LEU 670 N 0.99 0.98 -0.39 1.64 3.38 0.69 0.15 115.31 122.76 3mwe h LEU 670 Ca 0.21 -0.18 0.07 0.00 0.09 0.00 0.00 57.88 58.07 3mwe h LEU 670 Cb 0.34 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3mwe h LEU 670 CO -0.00 0.92 -0.00 0.78 0.09 0.00 0.00 178.44 180.23 3mwe h ASN 671 N 1.00 -0.17 0.08 -0.43 2.35 -0.37 0.24 115.58 118.28 3mwe h ASN 671 Ca 0.22 0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 56.06 3mwe h ASN 671 Cb 0.31 0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.84 3mwe h ASN 671 CO -0.01 -0.05 -0.04 -1.13 -1.65 0.00 0.00 177.43 174.56 3mwe h ASN 672 N 0.10 -0.09 -0.81 5.81 -1.24 -0.90 -1.33 115.58 117.12 3mwe h ASN 672 Ca 0.19 -0.15 -0.01 0.00 0.71 0.00 0.00 56.30 57.04 3mwe h ASN 672 Cb 0.27 0.02 -0.04 0.00 0.73 0.00 0.00 38.32 39.30 3mwe h ASN 672 CO -0.32 0.09 0.47 0.40 -1.29 0.00 0.00 177.43 176.79 3mwe h ILE 673 N -0.27 1.23 -0.20 2.57 2.04 -0.38 -2.44 117.51 120.06 3mwe h ILE 673 Ca -0.01 -0.54 -0.19 0.00 1.00 0.00 0.00 64.86 65.12 3mwe h ILE 673 Cb 0.23 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 3mwe h ILE 673 CO 0.02 0.25 -0.63 0.40 0.00 0.00 0.00 178.15 178.18 3mwe h ILE 674 N 1.12 1.30 0.00 -0.67 2.04 -0.43 -2.77 117.51 118.11 3mwe h ILE 674 Ca 0.29 -1.86 -0.05 0.00 1.00 0.00 0.00 64.86 64.24 3mwe h ILE 674 Cb -0.01 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 3mwe h ILE 674 CO -0.05 0.59 -0.24 0.77 0.00 0.00 0.00 178.15 179.22 3mwe h SER 675 N 0.53 0.00 0.81 1.72 4.64 -1.04 -0.37 113.55 119.83 3mwe h SER 675 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3mwe h SER 675 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3mwe h SER 675 CO 0.13 0.24 -0.55 0.54 -0.87 0.00 0.00 176.83 176.31 3mwe n ARG 676 N -3.58 0.22 -0.00 4.77 1.74 -0.94 -4.29 116.66 114.58 3mwe n ARG 676 Ca -0.01 0.07 0.02 0.00 -0.77 0.00 0.00 57.85 57.16 3mwe n ARG 676 Cb 0.38 -1.64 -0.02 0.00 -1.02 0.00 0.00 32.46 30.15 3mwe n ARG 676 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3mwe n THR 677 N -1.96 0.00 -3.46 0.55 -2.24 -1.00 -5.08 114.28 101.09 3mwe n THR 677 Ca 0.04 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3mwe n THR 677 Cb 0.41 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 3mwe n THR 677 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3mwe n THR 678 N -1.23 0.00 1.72 4.28 -2.24 -0.18 -4.53 114.28 112.10 3mwe n THR 678 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.91 3mwe n THR 678 Cb 0.07 0.00 0.61 0.00 -2.10 0.00 0.00 70.33 68.91 3mwe n THR 678 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3mwe n ASP 679 N -1.37 0.67 0.00 3.42 5.75 -1.26 -4.76 116.55 119.00 3mwe n ASP 679 Ca 0.00 -1.39 0.00 0.00 -0.01 0.00 0.00 54.79 53.39 3mwe n ASP 679 Cb 0.00 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 3mwe n ASP 679 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mwe n GLY 680 N 1.00 2.11 3.73 6.12 0.00 -1.26 -4.19 105.19 112.69 3mwe n GLY 680 Ca 0.18 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 3mwe n GLY 680 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mwe s VAL 681 N -2.10 3.18 -0.18 1.61 1.01 -1.26 -2.28 120.40 120.38 3mwe s VAL 681 Ca 0.00 0.90 -0.23 0.00 0.00 0.00 0.00 61.98 62.66 3mwe s VAL 681 Cb 0.00 -3.58 -0.22 0.00 0.00 0.00 0.00 36.38 32.58 3mwe s VAL 681 CO 0.00 0.10 0.40 0.22 0.00 0.00 0.00 175.10 175.82 3mwe h TYR 682 N 6.12 0.06 -2.14 5.22 3.20 -0.47 -1.62 116.97 127.33 3mwe h TYR 682 Ca -0.43 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.34 3mwe h TYR 682 Cb 1.21 -0.00 -0.21 0.00 1.54 0.00 0.00 36.73 39.27 3mwe h TYR 682 CO 0.64 1.38 0.07 -2.00 -1.64 0.00 0.00 178.16 176.61 3mwe s GLU 683 N -2.34 0.82 -0.01 1.82 2.12 -1.25 -3.88 118.70 115.98 3mwe s GLU 683 Ca -0.25 0.78 -0.00 0.00 0.36 0.00 0.00 54.97 55.86 3mwe s GLU 683 Cb 0.03 0.39 0.01 0.00 0.26 0.00 0.00 34.13 34.83 3mwe s GLU 683 CO 0.64 -0.13 0.01 0.20 -0.54 0.00 0.00 175.26 175.44 3mwe s GLY 684 N 0.05 0.04 -0.02 -1.50 0.00 -0.11 -1.77 107.32 104.01 3mwe s GLY 684 Ca -0.02 0.14 0.03 0.00 0.00 0.00 0.00 44.72 44.86 3mwe s GLY 684 CO 0.02 0.31 -0.10 0.14 0.00 0.00 0.00 173.10 173.47 3mwe s VAL 685 N 0.47 0.83 -0.31 1.40 1.01 -1.04 -0.42 120.40 122.34 3mwe s VAL 685 Ca -0.04 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 3mwe s VAL 685 Cb -0.06 -0.73 0.03 0.00 0.00 0.00 0.00 36.38 35.62 3mwe s VAL 685 CO -0.01 0.25 0.07 0.00 0.00 0.00 0.00 175.10 175.41 3mwe s ALA 686 N 0.08 3.01 -1.43 5.51 0.00 -0.20 -2.18 121.76 126.55 3mwe s ALA 686 Ca -0.01 -1.61 0.30 0.00 0.00 0.00 0.00 51.96 50.63 3mwe s ALA 686 Cb -0.08 -2.15 1.38 0.00 0.00 0.00 0.00 23.12 22.27 3mwe s ALA 686 CO 0.00 -1.14 1.97 0.44 0.00 0.00 0.00 175.76 177.04 3mwe n ILE 687 N 4.81 0.00 0.00 0.00 -5.35 0.28 -4.40 119.36 114.70 3mwe n ILE 687 Ca -0.14 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 3mwe n ILE 687 Cb 0.46 -0.37 0.00 0.00 -1.74 0.00 0.00 39.64 37.99 3mwe n ILE 687 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mwe n GLY 688 N 1.31 -0.23 1.18 3.28 0.00 -0.59 -3.46 105.19 106.68 3mwe n GLY 688 Ca 0.13 -1.73 0.12 0.00 0.00 0.00 0.00 46.02 44.54 3mwe n GLY 688 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mwe n GLY 689 N -0.13 1.87 3.81 -0.02 0.00 -1.20 -4.66 105.19 104.86 3mwe n GLY 689 Ca 0.00 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 3mwe n GLY 689 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mwe s ASP 690 N -1.39 5.40 0.22 1.61 1.01 -1.26 -4.94 116.67 117.32 3mwe s ASP 690 Ca 0.40 1.69 -0.07 0.00 0.71 0.00 0.00 52.55 55.28 3mwe s ASP 690 Cb 0.23 -2.51 0.28 0.00 1.01 0.00 0.00 42.92 41.94 3mwe s ASP 690 CO 0.32 -1.43 1.83 -0.09 0.21 0.00 0.00 175.17 176.00 3mwe h ARG 691 N -0.46 0.79 -3.80 8.23 2.43 -1.98 -3.30 114.38 116.29 3mwe h ARG 691 Ca -0.45 -0.05 -0.67 0.00 -0.81 0.00 0.00 59.98 58.01 3mwe h ARG 691 Cb 1.21 -0.18 -0.38 0.00 -0.42 0.00 0.00 29.97 30.21 3mwe h ARG 691 CO 0.56 0.53 -0.53 0.71 -1.51 0.00 0.00 179.97 179.72 3mwe s TYR 692 N -6.08 3.41 0.48 2.20 1.51 -1.26 -5.10 117.35 112.50 3mwe s TYR 692 Ca -0.13 -2.88 -0.22 0.00 -1.01 0.00 0.00 57.07 52.84 3mwe s TYR 692 Cb 0.17 -3.03 -0.07 0.00 -0.11 0.00 0.00 41.96 38.92 3mwe s TYR 692 CO 0.77 -0.84 1.14 -1.25 -1.11 0.00 0.00 175.55 174.26 3mwe s PRO 693 N 0.17 3.70 0.38 -1.71 0.04 -1.25 -4.80 135.00 131.52 3mwe s PRO 693 Ca 0.15 1.69 0.07 0.00 0.04 0.00 0.00 61.00 62.95 3mwe s PRO 693 Cb -0.22 -2.31 0.80 0.00 0.04 0.00 0.00 34.50 32.81 3mwe s PRO 693 CO -0.03 -0.58 1.98 0.78 0.04 0.00 0.00 177.00 179.19 3mwe h GLY 694 N 1.86 0.82 -5.04 0.56 0.00 -0.48 -3.42 103.07 97.38 3mwe h GLY 694 Ca -0.49 -0.27 -0.30 0.00 0.00 0.00 0.00 47.33 46.27 3mwe h GLY 694 CO 0.60 0.21 -0.74 -1.35 0.00 0.00 0.00 176.54 175.25 3mwe s SER 695 N -6.31 0.76 0.40 0.19 1.04 -0.92 -4.51 113.70 104.35 3mwe s SER 695 Ca -0.09 -0.34 0.08 0.00 0.48 0.00 0.00 55.95 56.07 3mwe s SER 695 Cb 0.19 -0.01 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 3mwe s SER 695 CO 0.76 -0.08 0.35 0.42 0.98 0.00 0.00 173.24 175.67 3mwe s THR 696 N -0.80 2.76 0.23 2.02 -4.23 -1.26 -4.84 115.64 109.52 3mwe s THR 696 Ca -0.04 -1.38 -0.08 0.00 -1.18 0.00 0.00 61.69 59.01 3mwe s THR 696 Cb -0.06 -3.02 0.23 0.00 1.34 0.00 0.00 72.50 70.98 3mwe s THR 696 CO 0.00 -0.03 1.66 -0.26 -0.54 0.00 0.00 174.62 175.46 3mwe h PHE 697 N 1.09 0.06 -0.38 3.99 0.04 -1.97 -2.22 116.94 117.55 3mwe h PHE 697 Ca -0.42 0.05 -0.10 0.00 2.80 0.00 0.00 57.97 60.30 3mwe h PHE 697 Cb 1.26 0.08 -0.02 0.00 2.20 0.00 0.00 35.95 39.48 3mwe h PHE 697 CO 0.52 -0.16 -0.18 1.98 -0.60 0.00 0.00 178.31 179.88 3mwe h MET 698 N 0.16 0.72 -0.48 1.51 4.05 -1.95 -0.31 114.93 118.63 3mwe h MET 698 Ca 0.37 -0.26 0.08 0.00 -0.28 0.00 0.00 59.70 59.61 3mwe h MET 698 Cb 0.62 -0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 31.31 3mwe h MET 698 CO -0.55 0.85 0.07 -0.44 0.23 0.00 0.00 176.91 177.06 3mwe h ASP 699 N 0.64 -0.06 0.43 1.39 3.32 -1.79 -0.61 116.42 119.74 3mwe h ASP 699 Ca 0.10 0.09 -0.26 0.00 0.02 0.00 0.00 57.03 56.98 3mwe h ASP 699 Cb 0.66 0.14 0.01 0.00 0.22 0.00 0.00 39.33 40.36 3mwe h ASP 699 CO 0.05 -0.00 -1.12 0.45 -1.72 0.00 0.00 179.24 176.90 3mwe h HIS 700 N 0.19 0.63 -0.83 4.55 3.86 -1.32 -2.74 115.15 119.50 3mwe h HIS 700 Ca 0.24 -0.40 0.06 0.00 -1.16 0.00 0.00 60.37 59.11 3mwe h HIS 700 Cb 0.33 -0.05 -0.06 0.00 1.06 0.00 0.00 27.41 28.69 3mwe h HIS 700 CO -0.25 1.26 0.51 0.28 0.86 0.00 0.00 177.93 180.59 3mwe h VAL 701 N 0.17 1.04 -0.15 2.45 2.07 -0.80 -0.12 116.25 120.90 3mwe h VAL 701 Ca -0.12 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.10 3mwe h VAL 701 Cb 1.80 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3mwe h VAL 701 CO 0.19 0.17 0.01 -0.07 0.02 0.00 0.00 177.57 177.90 3mwe h LEU 702 N 0.94 -0.02 -0.65 2.57 3.38 -1.07 0.10 115.31 120.55 3mwe h LEU 702 Ca 0.36 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.44 3mwe h LEU 702 Cb 0.16 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 3mwe h LEU 702 CO -0.17 0.01 0.31 0.03 0.09 0.00 0.00 178.44 178.71 3mwe h ARG 703 N 0.07 0.52 -0.50 1.13 3.08 -1.01 -1.32 114.38 116.35 3mwe h ARG 703 Ca 0.07 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 3mwe h ARG 703 Cb 0.07 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3mwe h ARG 703 CO -0.10 0.35 -0.01 1.88 -1.07 0.00 0.00 179.97 181.01 3mwe h TYR 704 N 0.54 0.97 -0.87 3.04 0.05 -0.56 -1.76 116.97 118.39 3mwe h TYR 704 Ca 0.32 -0.17 0.09 0.00 0.05 0.00 0.00 58.73 59.02 3mwe h TYR 704 Cb 0.33 -0.25 -0.06 0.00 1.01 0.00 0.00 36.73 37.75 3mwe h TYR 704 CO -0.12 0.91 0.57 0.37 -1.05 0.00 0.00 178.16 178.84 3mwe h GLN 705 N 0.75 0.85 -0.49 4.88 5.75 -0.01 -1.53 115.11 125.32 3mwe h GLN 705 Ca 0.14 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 3mwe h GLN 705 Cb 0.53 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.89 3mwe h GLN 705 CO 0.03 0.56 0.00 -0.25 -2.65 0.00 0.00 178.83 176.52 3mwe n ASP 706 N -4.52 2.40 -4.15 -0.69 8.00 -0.58 -4.77 116.55 112.25 3mwe n ASP 706 Ca 0.15 -2.12 -0.35 0.00 0.71 0.00 0.00 54.79 53.17 3mwe n ASP 706 Cb 0.30 -0.34 -0.13 0.00 -0.02 0.00 0.00 41.12 40.92 3mwe n ASP 706 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3mwe s THR 707 N -1.60 3.06 0.33 -3.53 2.01 -0.58 -4.99 115.64 110.35 3mwe s THR 707 Ca 0.26 -1.69 0.10 0.00 0.31 0.00 0.00 61.69 60.67 3mwe s THR 707 Cb 0.15 -2.92 0.32 0.00 0.01 0.00 0.00 72.50 70.06 3mwe s THR 707 CO 0.15 -0.36 1.75 -0.65 -0.69 0.00 0.00 174.62 174.83 3mwe h PRO 708 N 7.99 0.59 0.00 4.92 0.11 -1.86 0.14 132.00 143.89 3mwe h PRO 708 Ca -0.17 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.90 3mwe h PRO 708 Cb 1.05 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 3mwe h PRO 708 CO 0.59 0.39 -0.02 0.78 -0.21 0.00 0.00 178.00 179.53 3mwe h GLY 709 N 0.61 0.00 -5.10 -0.55 0.00 -1.94 -3.40 103.07 92.69 3mwe h GLY 709 Ca 0.61 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 47.37 3mwe h GLY 709 CO -0.41 0.00 0.60 0.14 0.00 0.00 0.00 176.54 176.87 3mwe s VAL 710 N -4.75 4.78 -1.10 4.60 1.01 0.47 -4.66 120.40 120.74 3mwe s VAL 710 Ca -0.05 1.90 0.13 0.00 0.00 0.00 0.00 61.98 63.96 3mwe s VAL 710 Cb 0.16 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 3mwe s VAL 710 CO 0.60 -0.06 0.71 0.29 0.00 0.00 0.00 175.10 176.64 3mwe n LYS 711 N 5.61 2.05 -3.64 2.72 4.76 -0.59 -4.87 118.16 124.20 3mwe n LYS 711 Ca 0.09 -0.58 -0.06 0.00 -2.87 0.00 0.00 58.31 54.89 3mwe n LYS 711 Cb 0.48 -1.17 -0.07 0.00 -1.84 0.00 0.00 35.03 32.43 3mwe n LYS 711 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 3mwe s MET 712 N -1.75 0.43 -0.08 1.97 1.75 -1.20 -4.44 119.30 115.99 3mwe s MET 712 Ca 0.10 0.61 0.03 0.00 -1.25 0.00 0.00 55.69 55.18 3mwe s MET 712 Cb 0.10 0.16 0.01 0.00 2.84 0.00 0.00 34.83 37.94 3mwe s MET 712 CO 0.37 -0.07 -0.18 0.42 -0.65 0.00 0.00 175.02 174.91 3mwe s ILE 713 N 0.75 1.61 -0.16 10.11 1.01 -0.48 -0.91 121.20 133.12 3mwe s ILE 713 Ca -0.02 -0.76 -0.00 0.00 0.00 0.00 0.00 60.65 59.86 3mwe s ILE 713 Cb -0.04 -1.42 -0.00 0.00 0.01 0.00 0.00 42.46 41.01 3mwe s ILE 713 CO -0.11 0.46 -0.14 -0.69 0.00 0.00 0.00 174.94 174.47 3mwe s VAL 714 N 0.45 2.78 -0.12 2.92 1.01 0.15 0.48 120.40 128.07 3mwe s VAL 714 Ca -0.16 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.12 3mwe s VAL 714 Cb -0.17 -2.19 -0.00 0.00 0.00 0.00 0.00 36.38 34.03 3mwe s VAL 714 CO 0.06 0.50 -0.20 -0.69 0.00 0.00 0.00 175.10 174.77 3mwe s VAL 715 N 0.88 2.33 -0.55 2.92 1.01 0.81 -1.60 120.40 126.19 3mwe s VAL 715 Ca -0.04 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 60.91 3mwe s VAL 715 Cb -0.15 -1.93 0.14 0.00 0.00 0.00 0.00 36.38 34.44 3mwe s VAL 715 CO -0.01 0.54 0.47 -0.22 0.00 0.00 0.00 175.10 175.89 3mwe s LEU 716 N 0.53 6.04 0.00 3.92 2.96 -0.81 -2.50 118.68 128.82 3mwe s LEU 716 Ca -0.13 -1.98 0.00 0.00 -0.22 0.00 0.00 54.13 51.80 3mwe s LEU 716 Cb -0.17 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.40 3mwe s LEU 716 CO 0.04 -0.75 0.00 0.61 -1.32 0.00 0.00 176.35 174.94 3mwe n GLY 717 N 4.90 0.32 3.58 7.98 0.00 -0.16 -4.35 105.19 117.47 3mwe n GLY 717 Ca -0.08 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 43.94 3mwe n GLY 717 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mwe s GLU 718 N -1.98 0.77 0.41 1.61 2.12 -1.26 -1.76 118.70 118.60 3mwe s GLU 718 Ca 0.00 0.45 -0.25 0.00 0.36 0.00 0.00 54.97 55.53 3mwe s GLU 718 Cb 0.00 0.37 -0.10 0.00 0.26 0.00 0.00 34.13 34.65 3mwe s GLU 718 CO 0.00 -0.19 1.18 1.51 -0.54 0.00 0.00 175.26 177.23 3mwe n ILE 719 N 1.50 2.47 0.00 -3.70 3.06 -0.59 -4.79 119.36 117.31 3mwe n ILE 719 Ca -0.14 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.61 3mwe n ILE 719 Cb 0.57 -1.42 0.00 0.00 0.54 0.00 0.00 39.64 39.33 3mwe n ILE 719 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3mwe n GLY 720 N 0.94 2.19 0.49 4.50 0.00 0.10 -4.95 105.19 108.46 3mwe n GLY 720 Ca 0.07 -1.33 0.07 0.00 0.00 0.00 0.00 46.02 44.83 3mwe n GLY 720 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mwe n GLY 721 N 2.27 -1.61 0.49 -0.02 0.00 -1.26 -4.70 105.19 100.36 3mwe n GLY 721 Ca 0.00 -1.40 0.07 0.00 0.00 0.00 0.00 46.02 44.69 3mwe n GLY 721 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mwe n THR 722 N -2.28 1.67 -0.23 2.61 -2.24 -1.26 -4.59 114.28 107.96 3mwe n THR 722 Ca 0.00 -2.37 -0.02 0.00 -2.27 0.00 0.00 64.05 59.39 3mwe n THR 722 Cb 0.22 -0.05 0.10 0.00 -2.10 0.00 0.00 70.33 68.51 3mwe n THR 722 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3mwe h GLU 723 N 0.55 0.64 0.00 -0.78 4.57 -1.95 -2.22 114.58 115.38 3mwe h GLU 723 Ca -0.02 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3mwe h GLU 723 Cb 1.13 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 3mwe h GLU 723 CO 0.01 0.42 0.00 0.93 -1.18 0.00 0.00 179.01 179.19 3mwe h GLU 724 N 0.65 0.00 -0.03 1.92 3.07 -1.94 -1.51 114.58 116.75 3mwe h GLU 724 Ca 0.30 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.04 3mwe h GLU 724 Cb 0.20 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 3mwe h GLU 724 CO -0.19 0.00 -0.50 1.88 -1.40 0.00 0.00 179.01 178.80 3mwe h TYR 725 N 0.00 0.09 -0.54 4.33 0.05 -1.79 -2.27 116.97 116.84 3mwe h TYR 725 Ca 0.00 -0.03 0.07 0.00 0.05 0.00 0.00 58.73 58.83 3mwe h TYR 725 Cb 0.25 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 3mwe h TYR 725 CO 0.00 0.56 0.36 0.87 -1.05 0.00 0.00 178.16 178.90 3mwe h LYS 726 N 0.06 0.42 -0.26 4.88 1.57 -1.39 -0.23 116.57 121.63 3mwe h LYS 726 Ca -0.00 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 3mwe h LYS 726 Cb 0.91 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 3mwe h LYS 726 CO 0.07 0.28 -0.37 0.82 -0.57 0.00 0.00 179.45 179.68 3mwe h ILE 727 N 0.44 1.29 0.21 1.86 2.04 -1.53 -0.32 117.51 121.50 3mwe h ILE 727 Ca 0.24 -1.51 -0.01 0.00 1.00 0.00 0.00 64.86 64.59 3mwe h ILE 727 Cb 0.39 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 3mwe h ILE 727 CO -0.07 0.48 -0.10 0.00 0.00 0.00 0.00 178.15 178.46 3mwe h ARG 729 N -0.51 0.66 -0.52 0.00 3.08 -1.10 -2.00 114.38 113.99 3mwe h ARG 729 Ca -0.03 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.99 3mwe h ARG 729 Cb 0.38 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 3mwe h ARG 729 CO 0.05 0.44 0.34 0.78 -1.07 0.00 0.00 179.97 180.51 3mwe h GLY 730 N 0.68 0.73 1.00 0.04 0.00 -0.98 0.04 103.07 104.59 3mwe h GLY 730 Ca 0.39 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 3mwe h GLY 730 CO -0.28 0.27 0.28 -2.22 0.00 0.00 0.00 176.54 174.59 3mwe h ILE 731 N 0.70 1.23 -0.09 2.60 2.04 -1.14 -1.56 117.51 121.29 3mwe h ILE 731 Ca 0.19 -0.67 -0.16 0.00 1.00 0.00 0.00 64.86 65.22 3mwe h ILE 731 Cb -0.08 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3mwe h ILE 731 CO -0.04 0.27 -0.62 0.11 0.00 0.00 0.00 178.15 177.86 3mwe h LYS 732 N 0.87 0.33 -0.12 2.37 1.57 -0.80 -2.55 116.57 118.23 3mwe h LYS 732 Ca 0.21 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3mwe h LYS 732 Cb 0.16 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3mwe h LYS 732 CO -0.02 0.85 0.00 0.39 -0.57 0.00 0.00 179.45 180.09 3mwe n GLU 733 N -3.88 1.33 -0.72 3.15 1.02 -0.05 -4.89 120.64 116.60 3mwe n GLU 733 Ca -0.03 -0.51 0.00 0.00 -0.02 0.00 0.00 57.16 56.60 3mwe n GLU 733 Cb 0.64 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 3mwe n GLU 733 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mwe n GLY 734 N 0.81 1.24 0.29 0.62 0.00 -0.96 -4.88 105.19 102.31 3mwe n GLY 734 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 3mwe n GLY 734 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3mwe h ARG 735 N 2.38 0.96 -5.15 1.61 9.65 -1.56 -3.41 114.38 118.86 3mwe h ARG 735 Ca 0.00 -0.34 -0.63 0.00 -1.10 0.00 0.00 59.98 57.91 3mwe h ARG 735 Cb 0.00 -0.07 -0.20 0.00 -1.39 0.00 0.00 29.97 28.31 3mwe h ARG 735 CO 0.00 1.00 -0.61 -0.51 2.80 0.00 0.00 179.97 182.65 3mwe s LEU 736 N -9.16 3.54 0.00 3.80 1.43 -0.71 -4.97 118.68 112.60 3mwe s LEU 736 Ca -0.11 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 3mwe s LEU 736 Cb 0.13 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.45 3mwe s LEU 736 CO 0.85 0.09 0.00 0.35 0.23 0.00 0.00 176.35 177.87 3mwe n THR 737 N 4.08 0.00 -2.00 5.49 -2.24 -1.26 -4.31 114.28 114.04 3mwe n THR 737 Ca -0.17 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.28 3mwe n THR 737 Cb 0.52 -0.10 0.02 0.00 -2.10 0.00 0.00 70.33 68.67 3mwe n THR 737 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3mwe s LYS 738 N -1.56 3.13 0.13 -0.78 1.02 -1.26 -4.95 119.74 115.46 3mwe s LYS 738 Ca 0.00 1.40 -0.32 0.00 0.02 0.00 0.00 55.97 57.07 3mwe s LYS 738 Cb 0.00 -1.99 -0.11 0.00 -0.52 0.00 0.00 37.83 35.21 3mwe s LYS 738 CO 0.00 -0.99 1.82 -2.30 -0.92 0.00 0.00 175.35 172.96 3mwe n PRO 739 N -1.95 2.74 -4.60 -1.68 -0.02 -1.26 -4.88 135.00 123.35 3mwe n PRO 739 Ca 0.10 1.00 -0.33 0.00 -2.02 0.00 0.00 63.50 62.25 3mwe n PRO 739 Cb 0.52 -2.88 -0.15 0.00 -0.02 0.00 0.00 33.50 30.97 3mwe n PRO 739 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3mwe s ILE 740 N 2.51 2.80 -0.16 4.25 1.01 -1.26 -1.39 121.20 128.96 3mwe s ILE 740 Ca 0.81 -0.73 -0.05 0.00 0.00 0.00 0.00 60.65 60.68 3mwe s ILE 740 Cb -0.50 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 3mwe s ILE 740 CO 0.37 0.51 0.02 -0.69 0.00 0.00 0.00 174.94 175.15 3mwe s VAL 741 N 0.68 4.38 -0.06 2.92 1.01 0.18 -0.40 120.40 129.12 3mwe s VAL 741 Ca -0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 3mwe s VAL 741 Cb -0.16 -2.94 0.02 0.00 0.00 0.00 0.00 36.38 33.30 3mwe s VAL 741 CO 0.02 0.49 0.14 0.00 0.00 0.00 0.00 175.10 175.75 3mwe s TRP 743 N 0.34 0.83 -0.32 0.00 -0.11 -1.04 -4.23 118.94 114.41 3mwe s TRP 743 Ca -0.02 -0.26 -0.14 0.00 1.22 0.00 0.00 56.10 56.90 3mwe s TRP 743 Cb -0.03 -0.75 -0.02 0.00 -1.50 0.00 0.00 33.47 31.16 3mwe s TRP 743 CO -0.01 -0.24 0.33 0.00 -4.62 0.00 0.00 176.95 172.41 3mwe s ILE 745 N 1.97 4.09 0.00 0.00 -4.36 -0.72 -4.43 121.20 117.74 3mwe s ILE 745 Ca 0.11 0.73 0.00 0.00 -0.26 0.00 0.00 60.65 61.23 3mwe s ILE 745 Cb -0.16 -3.46 0.00 0.00 1.25 0.00 0.00 42.46 40.09 3mwe s ILE 745 CO 0.11 -0.84 0.00 0.61 0.24 0.00 0.00 174.94 175.06 3mwe n GLY 746 N -1.92 1.15 0.26 6.27 0.00 -1.26 -1.55 105.19 108.14 3mwe n GLY 746 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 3mwe n GLY 746 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3mwe h THR 747 N 0.00 0.71 0.00 2.61 1.35 -1.93 -2.80 112.91 112.85 3mwe h THR 747 Ca 0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 3mwe h THR 747 Cb 0.00 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 3mwe h THR 747 CO 0.00 0.10 0.00 0.00 -0.25 0.00 0.00 175.52 175.37 3mwe n ALA 749 N -0.60 0.96 -1.32 0.00 0.00 -1.06 -4.05 120.51 114.43 3mwe n ALA 749 Ca 0.04 -2.07 0.08 0.00 0.00 0.00 0.00 53.44 51.49 3mwe n ALA 749 Cb 0.02 -3.45 0.17 0.00 0.00 0.00 0.00 19.45 16.19 3mwe n ALA 749 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3mwe n THR 750 N 6.49 2.04 0.04 0.00 -1.04 -1.26 -5.15 114.28 115.40 3mwe n THR 750 Ca 0.36 -2.73 0.01 0.00 -2.04 0.00 0.00 64.05 59.65 3mwe n THR 750 Cb 0.32 -0.24 -0.01 0.00 -1.82 0.00 0.00 70.33 68.58 3mwe n THR 750 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 3mwe n MET 751 N -1.29 3.57 -1.54 -2.82 2.81 -1.26 -5.31 117.12 111.28 3mwe n MET 751 Ca 0.17 -0.01 -0.43 0.00 -1.81 0.00 0.00 57.70 55.62 3mwe n MET 751 Cb 0.66 -0.78 -0.01 0.00 -0.71 0.00 0.00 33.22 32.39 3mwe n MET 751 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 3mwe n GLN 767 N -1.27 1.04 -0.33 0.03 0.00 -1.26 -5.29 117.38 110.30 3mwe n GLN 767 Ca 0.00 0.37 0.12 0.00 -0.00 0.00 0.00 57.00 57.49 3mwe n GLN 767 Cb 0.03 -1.73 0.30 0.00 0.00 0.00 0.00 30.24 28.84 3mwe n GLN 767 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3mwe h ALA 768 N 1.51 1.53 0.00 1.69 0.00 -2.03 0.30 119.26 122.26 3mwe h ALA 768 Ca -0.40 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3mwe h ALA 768 Cb 1.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3mwe h ALA 768 CO 0.57 -0.14 0.00 0.66 0.00 0.00 0.00 179.25 180.34 3mwe h SER 769 N 0.63 0.00 0.58 0.00 4.64 -1.98 -2.99 113.55 114.44 3mwe h SER 769 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 3mwe h SER 769 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3mwe h SER 769 CO -0.42 0.00 -0.24 -0.62 -0.87 0.00 0.00 176.83 174.69 3mwe n GLU 770 N -2.52 0.24 -1.77 4.77 1.02 0.10 -4.33 120.64 118.15 3mwe n GLU 770 Ca 0.01 -0.10 -0.33 0.00 -0.02 0.00 0.00 57.16 56.72 3mwe n GLU 770 Cb 0.22 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.18 3mwe n GLU 770 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3mwe s THR 771 N -2.82 3.38 0.27 2.62 -4.23 -1.13 -0.72 115.64 113.00 3mwe s THR 771 Ca 0.18 0.62 -0.04 0.00 -1.18 0.00 0.00 61.69 61.27 3mwe s THR 771 Cb 0.19 -3.15 0.23 0.00 1.34 0.00 0.00 72.50 71.11 3mwe s THR 771 CO 0.58 -0.41 1.91 0.00 -0.54 0.00 0.00 174.62 176.15 3mwe h ALA 772 N 0.01 1.28 -0.04 3.99 0.00 -1.83 -2.10 119.26 120.57 3mwe h ALA 772 Ca -0.46 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3mwe h ALA 772 Cb 1.24 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3mwe h ALA 772 CO 0.55 0.61 0.03 0.28 0.00 0.00 0.00 179.25 180.71 3mwe h VAL 773 N 1.17 1.01 -0.27 0.00 2.07 -1.87 0.14 116.25 118.51 3mwe h VAL 773 Ca 0.30 -0.03 -0.12 0.00 0.82 0.00 0.00 66.70 67.67 3mwe h VAL 773 Cb -0.03 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3mwe h VAL 773 CO -0.05 0.01 -0.33 0.00 0.02 0.00 0.00 177.57 177.22 3mwe h ALA 774 N 1.01 0.93 -0.19 1.67 0.00 -1.80 -2.23 119.26 118.64 3mwe h ALA 774 Ca 0.01 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 3mwe h ALA 774 Cb -0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3mwe h ALA 774 CO -0.00 0.62 -0.19 0.87 0.00 0.00 0.00 179.25 180.54 3mwe h LYS 775 N 0.49 0.47 -0.82 0.00 1.57 -1.15 -0.54 116.57 116.60 3mwe h LYS 775 Ca 0.06 -0.25 0.14 0.00 -1.87 0.00 0.00 60.65 58.72 3mwe h LYS 775 Cb 0.80 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.03 3mwe h LYS 775 CO 0.07 0.82 0.41 -0.91 -0.57 0.00 0.00 179.45 179.28 3mwe h ASN 776 N 0.14 0.50 -0.21 0.86 2.35 -0.68 0.10 115.58 118.65 3mwe h ASN 776 Ca 0.03 0.09 -0.15 0.00 -0.55 0.00 0.00 56.30 55.72 3mwe h ASN 776 Cb 0.74 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.12 3mwe h ASN 776 CO 0.05 0.22 -0.46 -0.61 -1.65 0.00 0.00 177.43 174.99 3mwe h GLN 777 N 0.61 0.68 -0.65 0.81 5.75 -1.26 -1.70 115.11 119.36 3mwe h GLN 777 Ca 0.44 -0.45 -0.07 0.00 -0.15 0.00 0.00 58.65 58.42 3mwe h GLN 777 Cb 0.60 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.18 3mwe h GLN 777 CO -0.35 1.07 0.14 0.00 -2.65 0.00 0.00 178.83 177.05 3mwe h ALA 778 N 0.61 0.85 -0.26 3.38 0.00 -0.64 -1.49 119.26 121.71 3mwe h ALA 778 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3mwe h ALA 778 Cb 1.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3mwe h ALA 778 CO 0.10 0.58 0.11 -0.07 0.00 0.00 0.00 179.25 179.97 3mwe h LEU 779 N 0.96 0.35 -0.96 0.00 3.38 -0.94 -2.04 115.31 116.07 3mwe h LEU 779 Ca 0.20 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3mwe h LEU 779 Cb 0.38 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 3mwe h LEU 779 CO 0.00 0.41 0.62 0.50 0.09 0.00 0.00 178.44 180.07 3mwe h LYS 780 N 0.27 1.16 0.00 1.13 3.64 -1.03 -0.66 116.57 121.08 3mwe h LYS 780 Ca 0.09 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3mwe h LYS 780 Cb 0.17 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 3mwe h LYS 780 CO -0.01 0.77 -0.13 0.93 -2.27 0.00 0.00 179.45 178.74 3mwe h GLU 781 N 1.20 0.00 -0.00 1.90 5.08 -1.01 -2.61 114.58 119.14 3mwe h GLU 781 Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 3mwe h GLU 781 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3mwe h GLU 781 CO -0.13 0.13 -0.24 0.00 -1.00 0.00 0.00 179.01 177.77 3mwe n ALA 782 N -2.20 2.94 0.00 3.43 0.00 -0.32 -4.91 120.51 119.45 3mwe n ALA 782 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3mwe n ALA 782 Cb 0.33 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.49 3mwe n ALA 782 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mwe n GLY 783 N 1.48 0.82 3.76 0.00 0.00 -0.98 -4.83 105.19 105.43 3mwe n GLY 783 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3mwe n GLY 783 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mwe s VAL 784 N -2.00 3.50 -0.56 1.61 1.01 -0.83 -4.83 120.40 118.30 3mwe s VAL 784 Ca 0.00 1.50 -0.28 0.00 0.00 0.00 0.00 61.98 63.20 3mwe s VAL 784 Cb 0.00 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.44 3mwe s VAL 784 CO 0.00 0.35 1.35 -0.36 0.00 0.00 0.00 175.10 176.44 3mwe s PHE 785 N -1.10 2.38 -0.18 5.22 0.40 0.46 -4.26 117.98 120.91 3mwe s PHE 785 Ca 0.45 0.47 -0.01 0.00 -0.60 0.00 0.00 56.93 57.23 3mwe s PHE 785 Cb -0.32 -4.42 -0.00 0.00 0.51 0.00 0.00 43.02 38.79 3mwe s PHE 785 CO 0.41 -1.87 -0.12 0.08 0.70 0.00 0.00 175.22 174.42 3mwe s VAL 786 N 5.70 2.85 0.87 -0.44 1.01 -1.26 -1.46 120.40 127.67 3mwe s VAL 786 Ca 0.50 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.67 3mwe s VAL 786 Cb -0.10 -2.24 0.11 0.00 0.00 0.00 0.00 36.38 34.15 3mwe s VAL 786 CO 0.26 0.49 1.11 -2.16 0.00 0.00 0.00 175.10 174.80 3mwe s PRO 787 N 1.08 1.52 0.47 2.72 0.04 -1.26 -4.95 135.00 134.61 3mwe s PRO 787 Ca -0.00 0.51 0.26 0.00 0.04 0.00 0.00 61.00 61.81 3mwe s PRO 787 Cb -0.15 -1.86 0.64 0.00 0.04 0.00 0.00 34.50 33.18 3mwe s PRO 787 CO -0.03 -1.99 1.72 0.07 0.04 0.00 0.00 177.00 176.81 3mwe h ARG 788 N -1.35 0.00 -2.51 4.56 0.11 -1.99 -3.47 114.38 109.73 3mwe h ARG 788 Ca -0.49 0.00 0.12 0.00 0.10 0.00 0.00 59.98 59.71 3mwe h ARG 788 Cb 1.30 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 32.28 3mwe h ARG 788 CO 0.60 0.03 0.41 -1.54 0.10 0.00 0.00 179.97 179.57 3mwe s SER 789 N -6.07 -0.28 0.43 0.08 1.04 -1.26 -5.02 113.70 102.63 3mwe s SER 789 Ca 0.05 -0.30 0.12 0.00 0.48 0.00 0.00 55.95 56.29 3mwe s SER 789 Cb 0.06 0.52 0.98 0.00 0.10 0.00 0.00 66.02 67.68 3mwe s SER 789 CO 0.64 -0.92 2.01 0.15 0.98 0.00 0.00 173.24 176.10 3mwe h PHE 790 N 2.00 0.44 -0.67 5.02 3.04 -1.97 -0.04 116.94 124.77 3mwe h PHE 790 Ca -0.24 0.01 0.19 0.00 3.98 0.00 0.00 57.97 61.92 3mwe h PHE 790 Cb 1.25 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 39.58 3mwe h PHE 790 CO 0.35 0.24 0.55 0.22 -2.02 0.00 0.00 178.31 177.64 3mwe h ASP 791 N 0.44 0.00 -0.46 0.41 3.58 -2.00 -0.11 116.42 118.28 3mwe h ASP 791 Ca 0.22 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.67 3mwe h ASP 791 Cb 0.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.37 3mwe h ASP 791 CO -0.06 0.00 0.00 -0.62 -2.88 0.00 0.00 179.24 175.68 3mwe n GLU 792 N -4.05 2.84 0.09 0.28 1.02 -0.04 -4.66 120.64 116.12 3mwe n GLU 792 Ca 0.13 -2.23 -0.13 0.00 -0.02 0.00 0.00 57.16 54.91 3mwe n GLU 792 Cb 0.80 -1.36 -0.08 0.00 -0.02 0.00 0.00 31.44 30.78 3mwe n GLU 792 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3mwe h LEU 793 N 2.67 -0.14 -0.89 -4.62 5.85 -0.86 -1.73 115.31 115.58 3mwe h LEU 793 Ca 0.00 -0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.75 3mwe h LEU 793 Cb 0.81 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.81 3mwe h LEU 793 CO 0.00 -0.02 0.54 1.23 -0.34 0.00 0.00 178.44 179.85 3mwe h GLY 794 N -0.26 1.41 0.95 3.75 0.00 -1.83 -0.84 103.07 106.25 3mwe h GLY 794 Ca -0.02 -0.36 0.01 0.00 0.00 0.00 0.00 47.33 46.96 3mwe h GLY 794 CO 0.03 0.16 0.30 0.83 0.00 0.00 0.00 176.54 177.86 3mwe h GLU 795 N 0.89 0.58 -0.32 4.80 5.08 -1.78 -0.99 114.58 122.84 3mwe h GLU 795 Ca 0.43 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.58 3mwe h GLU 795 Cb 0.38 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3mwe h GLU 795 CO -0.24 0.39 -0.49 0.97 -1.00 0.00 0.00 179.01 178.63 3mwe h ILE 796 N 0.60 1.27 -0.41 3.13 2.10 -0.71 -1.20 117.51 122.29 3mwe h ILE 796 Ca 0.18 -1.67 0.07 0.00 1.08 0.00 0.00 64.86 64.51 3mwe h ILE 796 Cb -0.03 1.54 -0.06 0.00 -1.09 0.00 0.00 36.82 37.18 3mwe h ILE 796 CO -0.06 0.55 0.07 0.40 -1.08 0.00 0.00 178.15 178.03 3mwe h ILE 797 N 0.70 0.77 -0.33 2.19 2.04 -1.01 -0.34 117.51 121.53 3mwe h ILE 797 Ca 0.03 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 3mwe h ILE 797 Cb 1.09 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3mwe h ILE 797 CO 0.11 0.04 0.20 -0.61 0.00 0.00 0.00 178.15 177.89 3mwe h GLN 798 N 0.20 0.45 -0.19 2.37 4.15 -0.89 -0.60 115.11 120.59 3mwe h GLN 798 Ca 0.20 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.58 3mwe h GLN 798 Cb 0.25 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 3mwe h GLN 798 CO -0.27 0.34 0.12 1.03 -1.93 0.00 0.00 178.83 178.12 3mwe h SER 799 N 0.43 0.22 -0.63 -0.69 0.87 -0.90 0.04 113.55 112.90 3mwe h SER 799 Ca 0.12 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3mwe h SER 799 Cb 0.00 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 3mwe h SER 799 CO -0.02 0.17 0.39 0.58 -0.53 0.00 0.00 176.83 177.43 3mwe h VAL 800 N 0.25 1.17 0.45 2.23 2.07 -0.90 -2.56 116.25 118.97 3mwe h VAL 800 Ca 0.07 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 3mwe h VAL 800 Cb -0.02 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 3mwe h VAL 800 CO -0.01 0.18 -0.22 0.22 0.02 0.00 0.00 177.57 177.75 3mwe h TYR 801 N 0.87 -0.56 -1.00 1.57 3.20 -0.55 -2.56 116.97 117.94 3mwe h TYR 801 Ca 0.23 -0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.26 3mwe h TYR 801 Cb -0.06 0.19 -0.10 0.00 1.54 0.00 0.00 36.73 38.30 3mwe h TYR 801 CO 0.00 -0.25 0.62 0.93 -1.64 0.00 0.00 178.16 177.82 3mwe h GLU 802 N -0.85 0.76 -0.02 1.82 5.08 -0.95 0.18 114.58 120.60 3mwe h GLU 802 Ca -0.06 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 3mwe h GLU 802 Cb 0.57 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3mwe h GLU 802 CO 0.10 0.50 -0.47 -0.44 -1.00 0.00 0.00 179.01 177.71 3mwe h ASP 803 N 0.79 0.05 0.40 1.42 3.32 -1.45 0.36 116.42 121.30 3mwe h ASP 803 Ca 0.56 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.45 3mwe h ASP 803 Cb 0.84 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 3mwe h ASP 803 CO -0.35 0.51 -0.56 -0.07 -1.72 0.00 0.00 179.24 177.05 3mwe h LEU 804 N 0.04 0.19 0.13 1.55 3.38 -0.31 -2.94 115.31 117.35 3mwe h LEU 804 Ca -0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3mwe h LEU 804 Cb 0.84 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3mwe h LEU 804 CO 0.06 0.71 -0.06 0.58 0.09 0.00 0.00 178.44 179.82 3mwe h VAL 805 N 0.13 1.04 -0.21 1.22 2.07 -0.43 -0.55 116.25 119.53 3mwe h VAL 805 Ca -0.00 -1.12 0.06 0.00 0.82 0.00 0.00 66.70 66.46 3mwe h VAL 805 Cb 1.03 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 3mwe h VAL 805 CO 0.08 0.25 0.24 0.00 0.02 0.00 0.00 177.57 178.16 3mwe h ALA 806 N -0.03 1.82 -0.25 1.67 0.00 -1.00 -1.00 119.26 120.47 3mwe h ALA 806 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3mwe h ALA 806 Cb 0.54 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3mwe h ALA 806 CO 0.03 -0.34 0.00 0.27 0.00 0.00 0.00 179.25 179.20 3mwe n ASN 807 N -3.74 3.82 0.00 0.00 0.23 -1.11 -4.98 115.26 109.48 3mwe n ASN 807 Ca 0.02 -3.04 0.00 0.00 -0.53 0.00 0.00 54.58 51.04 3mwe n ASN 807 Cb 0.37 -0.54 0.00 0.00 -2.08 0.00 0.00 39.78 37.52 3mwe n ASN 807 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3mwe n GLY 808 N -0.55 2.52 0.30 4.83 0.00 -0.38 -4.88 105.19 107.02 3mwe n GLY 808 Ca 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.19 3mwe n GLY 808 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3mwe h VAL 809 N 0.00 1.24 -3.37 1.61 2.07 -1.36 -3.39 116.25 113.05 3mwe h VAL 809 Ca 0.00 -0.94 -0.65 0.00 0.82 0.00 0.00 66.70 65.93 3mwe h VAL 809 Cb 0.00 0.76 -0.26 0.00 -1.52 0.00 0.00 31.29 30.28 3mwe h VAL 809 CO 0.00 0.34 -0.71 -0.63 0.02 0.00 0.00 177.57 176.59 3mwe s ILE 810 N -5.10 3.50 -0.47 4.57 1.01 -0.71 -4.98 121.20 119.02 3mwe s ILE 810 Ca -0.10 -0.47 -0.06 0.00 0.00 0.00 0.00 60.65 60.01 3mwe s ILE 810 Cb 0.15 -2.55 0.12 0.00 0.01 0.00 0.00 42.46 40.19 3mwe s ILE 810 CO 0.81 0.46 0.31 -0.69 0.00 0.00 0.00 174.94 175.83 3mwe s VAL 811 N 0.94 3.84 -0.18 2.92 1.01 -1.26 -4.30 120.40 123.37 3mwe s VAL 811 Ca -0.00 -2.01 -0.36 0.00 0.00 0.00 0.00 61.98 59.61 3mwe s VAL 811 Cb -0.15 -3.56 -0.13 0.00 0.00 0.00 0.00 36.38 32.54 3mwe s VAL 811 CO 0.01 -0.76 1.89 -2.65 0.00 0.00 0.00 175.10 173.59 3mwe n PRO 812 N 4.65 1.74 -0.84 2.72 -0.02 -1.26 -4.95 135.00 137.04 3mwe n PRO 812 Ca -0.04 0.62 -0.30 0.00 -2.02 0.00 0.00 63.50 61.76 3mwe n PRO 812 Cb 0.41 -2.48 0.25 0.00 -0.02 0.00 0.00 33.50 31.66 3mwe n PRO 812 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mwe s ALA 813 N 4.46 0.14 -0.10 3.55 0.00 -1.26 -5.00 121.76 123.55 3mwe s ALA 813 Ca 0.97 -0.82 -0.18 0.00 0.00 0.00 0.00 51.96 51.92 3mwe s ALA 813 Cb -0.81 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 3mwe s ALA 813 CO 0.55 -3.87 0.49 1.14 0.00 0.00 0.00 175.76 174.07 3mwe s GLN 814 N -5.22 4.32 0.16 0.00 -2.07 -1.26 -5.03 119.66 110.56 3mwe s GLN 814 Ca 0.70 0.48 -0.33 0.00 -1.82 0.00 0.00 55.36 54.39 3mwe s GLN 814 Cb -0.12 -3.42 -0.12 0.00 -1.09 0.00 0.00 33.01 28.26 3mwe s GLN 814 CO 0.57 0.20 1.71 0.39 -1.32 0.00 0.00 175.29 176.84 3mwe n GLU 815 N 3.51 2.56 -3.97 9.60 -0.58 -1.26 -4.99 120.64 125.51 3mwe n GLU 815 Ca -0.07 0.93 -0.30 0.00 -0.42 0.00 0.00 57.16 57.29 3mwe n GLU 815 Cb 0.52 -2.76 -0.16 0.00 -0.57 0.00 0.00 31.44 28.47 3mwe n GLU 815 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3mwe s VAL 816 N 1.57 1.62 0.64 2.62 1.01 -1.26 -5.12 120.40 121.48 3mwe s VAL 816 Ca 0.79 -1.15 -0.17 0.00 0.00 0.00 0.00 61.98 61.45 3mwe s VAL 816 Cb -0.56 -1.79 -0.08 0.00 0.00 0.00 0.00 36.38 33.95 3mwe s VAL 816 CO 0.36 0.03 0.33 -2.65 0.00 0.00 0.00 175.10 173.17 3mwe n PRO 817 N 4.66 0.31 -2.41 2.72 -0.02 -1.26 -4.95 135.00 134.05 3mwe n PRO 817 Ca -0.13 0.13 -0.28 0.00 -2.02 0.00 0.00 63.50 61.19 3mwe n PRO 817 Cb 0.45 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 3mwe n PRO 817 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3mwe s PRO 818 N -2.14 3.56 0.26 0.52 0.04 -1.26 -5.09 135.00 130.89 3mwe s PRO 818 Ca 0.64 0.36 -0.03 0.00 0.04 0.00 0.00 61.00 62.01 3mwe s PRO 818 Cb -0.40 -2.29 0.05 0.00 0.04 0.00 0.00 34.50 31.89 3mwe s PRO 818 CO 0.59 -0.31 0.10 -2.30 0.04 0.00 0.00 177.00 175.12 3mwe n PRO 819 N -2.41 0.03 0.01 0.56 -0.02 -1.26 -4.91 135.00 127.00 3mwe n PRO 819 Ca 0.02 -0.17 -0.07 0.00 -2.02 0.00 0.00 63.50 61.26 3mwe n PRO 819 Cb 0.55 -0.39 -0.05 0.00 -0.02 0.00 0.00 33.50 33.59 3mwe n PRO 819 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3mwe h THR 820 N -1.77 0.00 0.00 3.45 2.02 -1.97 -3.49 112.91 111.16 3mwe h THR 820 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3mwe h THR 820 Cb 0.16 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 3mwe h THR 820 CO 0.03 0.00 0.00 0.52 0.37 0.00 0.00 175.52 176.44