#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vkw s ASP 498 N 0.00 0.55 0.59 0.00 2.15 0.28 -5.00 116.67 115.24 2vkw s ASP 498 Ca 0.00 -1.32 -0.18 0.00 0.43 0.00 0.00 52.55 51.48 2vkw s ASP 498 Cb 0.00 0.28 -0.03 0.00 -0.30 0.00 0.00 42.92 42.87 2vkw s ASP 498 CO 0.00 -0.76 1.15 0.42 -0.17 0.00 0.00 175.17 175.81 2vkw s THR 499 N -3.98 3.01 0.78 1.71 -4.23 -1.26 -4.11 115.64 107.56 2vkw s THR 499 Ca 0.33 0.58 -0.13 0.00 -1.18 0.00 0.00 61.69 61.30 2vkw s THR 499 Cb 0.07 -3.18 0.07 0.00 1.34 0.00 0.00 72.50 70.80 2vkw s THR 499 CO 0.09 -0.18 1.17 -2.16 -0.54 0.00 0.00 174.62 173.00 2vkw s PRO 500 N -3.52 1.87 0.71 3.99 0.04 -1.20 -4.59 135.00 132.30 2vkw s PRO 500 Ca 0.73 1.60 -0.12 0.00 0.04 0.00 0.00 61.00 63.25 2vkw s PRO 500 Cb -0.25 -1.82 0.17 0.00 0.04 0.00 0.00 34.50 32.64 2vkw s PRO 500 CO 0.33 -2.00 0.72 -1.13 0.04 0.00 0.00 177.00 174.96 2vkw n SER 501 N -3.24 -1.10 -4.79 6.66 3.41 -0.55 -2.25 113.62 111.78 2vkw n SER 501 Ca 0.12 -1.04 -0.38 0.00 -0.26 0.00 0.00 58.87 57.31 2vkw n SER 501 Cb 0.51 -0.62 -0.06 0.00 -0.26 0.00 0.00 64.21 63.78 2vkw n SER 501 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2vkw s SER 502 N -3.55 7.28 0.77 4.04 1.04 -1.24 -4.32 113.70 117.71 2vkw s SER 502 Ca 0.45 1.57 -0.12 0.00 0.48 0.00 0.00 55.95 58.33 2vkw s SER 502 Cb -0.03 -2.47 0.05 0.00 0.10 0.00 0.00 66.02 63.67 2vkw s SER 502 CO 0.33 0.16 1.14 -2.16 0.98 0.00 0.00 173.24 173.69 2vkw s PRO 503 N -1.38 2.34 -0.02 4.02 0.04 -1.26 -4.40 135.00 134.33 2vkw s PRO 503 Ca 0.37 0.31 0.05 0.00 0.04 0.00 0.00 61.00 61.77 2vkw s PRO 503 Cb -0.21 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 2vkw s PRO 503 CO 0.24 -1.37 -0.16 -1.54 0.04 0.00 0.00 177.00 174.21 2vkw s SER 504 N -4.41 1.91 -0.11 6.66 1.04 -0.72 -4.40 113.70 113.67 2vkw s SER 504 Ca 0.60 -0.30 -0.30 0.00 0.48 0.00 0.00 55.95 56.44 2vkw s SER 504 Cb -0.11 -0.34 -0.02 0.00 0.10 0.00 0.00 66.02 65.65 2vkw s SER 504 CO 0.51 0.17 1.08 -0.63 0.98 0.00 0.00 173.24 175.35 2vkw s ILE 505 N -0.19 4.59 -0.03 -1.02 1.01 -1.26 -0.75 121.20 123.54 2vkw s ILE 505 Ca 0.02 1.88 -0.00 0.00 0.00 0.00 0.00 60.65 62.55 2vkw s ILE 505 Cb -0.08 -4.21 -0.00 0.00 0.01 0.00 0.00 42.46 38.18 2vkw s ILE 505 CO 0.00 -0.03 -0.00 -0.78 0.00 0.00 0.00 174.94 174.13 2vkw h ASP 506 N 7.30 0.00 -5.08 3.58 1.82 -1.48 -3.48 116.42 119.09 2vkw h ASP 506 Ca -0.30 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.27 2vkw h ASP 506 Cb 1.14 0.00 -0.15 0.00 0.68 0.00 0.00 39.33 41.00 2vkw h ASP 506 CO 0.88 0.17 -0.17 0.00 -1.61 0.00 0.00 179.24 178.51 2vkw s GLN 507 N -1.19 0.94 -0.09 0.28 -2.07 -1.20 -5.04 119.66 111.29 2vkw s GLN 507 Ca -0.00 -0.63 0.04 0.00 -1.82 0.00 0.00 55.36 52.96 2vkw s GLN 507 Cb 0.00 0.41 -0.00 0.00 -1.09 0.00 0.00 33.01 32.33 2vkw s GLN 507 CO 0.00 -0.33 -0.24 0.08 -1.32 0.00 0.00 175.29 173.48 2vkw s VAL 508 N -3.23 2.05 -0.46 3.63 1.01 -1.26 -1.58 120.40 120.56 2vkw s VAL 508 Ca -0.00 -1.02 -0.00 0.00 0.00 0.00 0.00 61.98 60.95 2vkw s VAL 508 Cb 0.01 -1.76 0.12 0.00 0.00 0.00 0.00 36.38 34.75 2vkw s VAL 508 CO -0.08 0.56 0.24 -0.70 0.00 0.00 0.00 175.10 175.12 2vkw s GLU 509 N 0.25 2.03 0.34 2.72 2.56 0.62 -4.97 118.70 122.26 2vkw s GLU 509 Ca -0.16 -2.13 -0.06 0.00 0.00 0.00 0.00 54.97 52.62 2vkw s GLU 509 Cb -0.17 -3.50 -0.05 0.00 2.00 0.00 0.00 34.13 32.40 2vkw s GLU 509 CO 0.08 -1.08 0.64 -1.25 -0.56 0.00 0.00 175.26 173.09 2vkw s PRO 510 N 0.58 3.66 0.00 4.30 0.04 -1.26 -0.69 135.00 141.62 2vkw s PRO 510 Ca 0.12 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.30 2vkw s PRO 510 Cb -0.22 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.77 2vkw s PRO 510 CO -0.04 0.10 0.00 0.98 0.04 0.00 0.00 177.00 178.08 2vkw n TYR 511 N -1.22 0.00 0.03 0.56 9.36 0.06 -4.58 117.16 121.37 2vkw n TYR 511 Ca -0.01 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.03 2vkw n TYR 511 Cb 0.54 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 39.13 2vkw n TYR 511 CO 0.00 0.00 0.00 0.77 0.22 0.00 0.00 176.86 177.85 2vkw h SER 512 N 0.00 0.55 0.00 2.98 0.02 -1.85 0.37 113.55 115.63 2vkw h SER 512 Ca 0.00 -0.83 0.00 0.00 -0.84 0.00 0.00 61.79 60.12 2vkw h SER 512 Cb 0.00 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.37 2vkw h SER 512 CO 0.00 1.33 -0.12 -1.54 -1.14 0.00 0.00 176.83 175.36 2vkw n SER 513 N -4.13 0.84 -4.07 3.07 3.41 -1.26 -2.36 113.62 109.12 2vkw n SER 513 Ca -0.12 -1.79 -0.10 0.00 -0.26 0.00 0.00 58.87 56.59 2vkw n SER 513 Cb 0.76 -0.11 -0.07 0.00 -0.26 0.00 0.00 64.21 64.53 2vkw n SER 513 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2vkw s THR 514 N -0.68 0.00 -0.13 6.66 -4.23 -1.26 -0.35 115.64 115.66 2vkw s THR 514 Ca 0.05 -1.61 -0.15 0.00 -1.18 0.00 0.00 61.69 58.80 2vkw s THR 514 Cb 0.04 -2.28 0.04 0.00 1.34 0.00 0.00 72.50 71.64 2vkw s THR 514 CO 0.00 -0.02 0.40 0.00 -0.54 0.00 0.00 174.62 174.46 2vkw s ALA 515 N -4.06 -1.00 -0.25 3.99 0.00 -0.43 -0.76 121.76 119.24 2vkw s ALA 515 Ca 0.28 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 53.16 2vkw s ALA 515 Cb 0.02 -0.54 -0.05 0.00 0.00 0.00 0.00 23.12 22.56 2vkw s ALA 515 CO 0.09 -0.21 0.17 -0.65 0.00 0.00 0.00 175.76 175.16 2vkw s GLN 516 N -0.06 4.05 -0.22 0.00 -0.21 0.13 -0.63 119.66 122.72 2vkw s GLN 516 Ca -0.02 -0.28 -0.04 0.00 0.02 0.00 0.00 55.36 55.04 2vkw s GLN 516 Cb -0.03 -3.56 -0.01 0.00 1.00 0.00 0.00 33.01 30.41 2vkw s GLN 516 CO 0.01 0.01 -0.04 0.08 -2.12 0.00 0.00 175.29 173.23 2vkw s VAL 517 N 1.20 3.40 -0.13 1.09 1.01 -0.40 -0.27 120.40 126.29 2vkw s VAL 517 Ca 0.07 -0.49 -0.10 0.00 0.00 0.00 0.00 61.98 61.47 2vkw s VAL 517 Cb -0.14 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 2vkw s VAL 517 CO 0.06 0.43 0.20 -1.10 0.00 0.00 0.00 175.10 174.68 2vkw s GLN 518 N 1.41 3.83 0.16 2.72 -0.21 -0.61 -2.47 119.66 124.49 2vkw s GLN 518 Ca 0.05 -0.04 -0.09 0.00 0.02 0.00 0.00 55.36 55.30 2vkw s GLN 518 Cb -0.14 -3.29 -0.01 0.00 1.00 0.00 0.00 33.01 30.57 2vkw s GLN 518 CO -0.03 0.55 0.28 -0.59 -2.12 0.00 0.00 175.29 173.39 2vkw s PHE 519 N -0.42 0.38 -0.10 0.91 -0.12 -1.26 -1.17 117.98 116.20 2vkw s PHE 519 Ca 0.15 -0.75 -0.01 0.00 -0.05 0.00 0.00 56.93 56.27 2vkw s PHE 519 Cb -0.13 -0.05 -0.03 0.00 -0.63 0.00 0.00 43.02 42.18 2vkw s PHE 519 CO 0.04 -0.71 -0.06 -0.51 -0.05 0.00 0.00 175.22 173.92 2vkw s ASP 520 N -2.96 4.69 1.02 1.98 1.01 0.07 -4.87 116.67 117.61 2vkw s ASP 520 Ca 0.17 -0.06 -0.11 0.00 0.71 0.00 0.00 52.55 53.26 2vkw s ASP 520 Cb 0.03 -1.38 0.20 0.00 1.01 0.00 0.00 42.92 42.78 2vkw s ASP 520 CO -0.00 0.30 1.09 -1.61 0.21 0.00 0.00 175.17 175.16 2vkw s GLU 521 N -0.43 0.19 0.56 8.23 2.02 -1.26 -1.76 118.70 126.25 2vkw s GLU 521 Ca 0.06 1.21 -0.20 0.00 0.02 0.00 0.00 54.97 56.06 2vkw s GLU 521 Cb -0.12 -1.66 -0.04 0.00 0.10 0.00 0.00 34.13 32.41 2vkw s GLU 521 CO 0.02 -3.09 1.26 -2.14 0.02 0.00 0.00 175.26 171.34 2vkw s PRO 522 N -4.58 3.09 0.49 0.39 0.02 -1.26 -4.58 135.00 128.57 2vkw s PRO 522 Ca 0.67 1.99 0.28 0.00 0.02 0.00 0.00 61.00 63.96 2vkw s PRO 522 Cb -0.23 -2.10 1.01 0.00 0.02 0.00 0.00 34.50 33.20 2vkw s PRO 522 CO 0.61 -1.15 1.86 1.05 -0.33 0.00 0.00 177.00 179.03 2vkw h GLU 523 N 1.21 0.00 -4.25 5.54 -0.00 -1.88 -3.40 114.58 111.80 2vkw h GLU 523 Ca -0.50 0.00 -0.60 0.00 -0.00 0.00 0.00 59.36 58.26 2vkw h GLU 523 Cb 1.30 0.00 -0.38 0.00 -0.00 0.00 0.00 28.75 29.66 2vkw h GLU 523 CO 0.56 0.09 -0.78 0.00 -0.00 0.00 0.00 179.01 178.88 2vkw s ALA 524 N -3.57 1.85 0.36 1.06 0.00 -1.26 -4.98 121.76 115.23 2vkw s ALA 524 Ca 0.02 -1.30 0.19 0.00 0.00 0.00 0.00 51.96 50.88 2vkw s ALA 524 Cb 0.09 -1.41 1.03 0.00 0.00 0.00 0.00 23.12 22.82 2vkw s ALA 524 CO 0.60 -1.20 1.93 1.79 0.00 0.00 0.00 175.76 178.88 2vkw h THR 525 N 6.65 0.92 0.00 0.00 1.35 -1.90 -1.45 112.91 118.47 2vkw h THR 525 Ca -0.17 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 64.75 2vkw h THR 525 Cb 1.08 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 2vkw h THR 525 CO 0.41 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 176.53 2vkw n GLY 526 N -0.52 0.35 0.00 5.82 0.00 -1.26 -3.25 105.19 106.34 2vkw n GLY 526 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2vkw n GLY 526 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vkw n GLY 527 N -1.90 3.37 3.50 -0.02 0.00 -1.26 0.99 105.19 109.87 2vkw n GLY 527 Ca 0.00 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 2vkw n GLY 527 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2vkw s VAL 528 N 0.00 3.01 0.50 1.61 -7.23 -1.26 -5.05 120.40 111.98 2vkw s VAL 528 Ca 0.00 -1.19 -0.20 0.00 -1.81 0.00 0.00 61.98 58.78 2vkw s VAL 528 Cb 0.00 -2.32 -0.11 0.00 0.56 0.00 0.00 36.38 34.52 2vkw s VAL 528 CO 0.00 0.27 0.53 -2.65 -0.31 0.00 0.00 175.10 172.95 2vkw n PRO 529 N 1.30 0.57 -2.57 4.82 -0.02 -1.26 -4.63 135.00 133.20 2vkw n PRO 529 Ca -0.16 0.21 -0.42 0.00 -2.02 0.00 0.00 63.50 61.12 2vkw n PRO 529 Cb 0.52 -1.62 -0.03 0.00 -0.02 0.00 0.00 33.50 32.36 2vkw n PRO 529 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2vkw s ILE 530 N -1.61 4.51 -0.22 4.25 -1.09 -1.26 -4.05 121.20 121.73 2vkw s ILE 530 Ca 0.66 1.80 -0.06 0.00 -2.23 0.00 0.00 60.65 60.82 2vkw s ILE 530 Cb -0.51 -4.16 -0.19 0.00 -1.58 0.00 0.00 42.46 36.02 2vkw s ILE 530 CO 0.56 0.02 -0.05 0.18 -1.23 0.00 0.00 174.94 174.42 2vkw n LEU 531 N 4.99 2.56 -4.01 2.97 4.77 0.14 -4.78 117.00 123.64 2vkw n LEU 531 Ca 0.10 0.11 -0.09 0.00 -0.03 0.00 0.00 56.01 56.10 2vkw n LEU 531 Cb 0.48 -0.95 -0.08 0.00 -2.33 0.00 0.00 43.42 40.53 2vkw n LEU 531 CO 0.54 0.77 -0.17 -0.54 -1.33 0.00 0.00 177.39 176.66 2vkw s LYS 532 N -2.51 0.93 -0.02 3.23 -0.14 -1.09 -2.08 119.74 118.06 2vkw s LYS 532 Ca -0.32 -1.20 0.07 0.00 -1.36 0.00 0.00 55.97 53.16 2vkw s LYS 532 Cb 0.09 0.30 -0.02 0.00 -1.68 0.00 0.00 37.83 36.53 2vkw s LYS 532 CO 0.62 -0.29 -0.23 0.71 -0.76 0.00 0.00 175.35 175.40 2vkw s TYR 533 N -3.95 2.06 -0.16 3.18 2.02 0.09 -0.83 117.35 119.75 2vkw s TYR 533 Ca 0.14 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.42 2vkw s TYR 533 Cb 0.06 -1.33 0.00 0.00 -0.40 0.00 0.00 41.96 40.29 2vkw s TYR 533 CO -0.04 -0.06 -0.15 0.21 -1.57 0.00 0.00 175.55 173.94 2vkw s LYS 534 N -0.47 3.18 -0.10 -0.62 2.20 -0.63 -0.14 119.74 123.17 2vkw s LYS 534 Ca 0.07 -0.76 -0.02 0.00 -0.36 0.00 0.00 55.97 54.90 2vkw s LYS 534 Cb -0.09 -2.64 -0.03 0.00 -1.51 0.00 0.00 37.83 33.56 2vkw s LYS 534 CO -0.00 -0.03 -0.01 0.00 -0.36 0.00 0.00 175.35 174.94 2vkw s ALA 535 N 0.94 3.19 -0.06 3.13 0.00 -0.35 -1.75 121.76 126.86 2vkw s ALA 535 Ca -0.03 -0.82 0.05 0.00 0.00 0.00 0.00 51.96 51.16 2vkw s ALA 535 Cb -0.15 -1.48 -0.01 0.00 0.00 0.00 0.00 23.12 21.49 2vkw s ALA 535 CO -0.02 0.50 -0.21 -1.21 0.00 0.00 0.00 175.76 174.81 2vkw s GLU 536 N -0.59 2.30 0.04 0.00 2.02 0.16 -1.38 118.70 121.24 2vkw s GLU 536 Ca 0.10 -0.77 -0.18 0.00 0.02 0.00 0.00 54.97 54.14 2vkw s GLU 536 Cb -0.12 -1.92 0.04 0.00 0.10 0.00 0.00 34.13 32.23 2vkw s GLU 536 CO 0.02 0.28 0.41 1.67 0.02 0.00 0.00 175.26 177.66 2vkw s TRP 537 N 0.03 -0.26 -0.06 1.61 -2.14 0.09 -0.14 118.94 118.06 2vkw s TRP 537 Ca -0.06 0.25 -0.30 0.00 2.66 0.00 0.00 56.10 58.65 2vkw s TRP 537 Cb -0.14 0.21 0.11 0.00 -3.10 0.00 0.00 33.47 30.55 2vkw s TRP 537 CO 0.04 -0.56 0.93 -0.98 -2.66 0.00 0.00 176.95 173.73 2vkw s ARG 538 N -2.34 0.73 0.41 3.25 1.70 -0.84 -0.96 118.95 120.91 2vkw s ARG 538 Ca -0.06 -0.17 -0.26 0.00 -0.47 0.00 0.00 55.73 54.77 2vkw s ARG 538 Cb -0.01 0.34 -0.08 0.00 -0.57 0.00 0.00 34.95 34.62 2vkw s ARG 538 CO -0.01 -0.30 1.29 0.00 -1.08 0.00 0.00 175.30 175.20 2vkw s ALA 539 N -2.55 3.23 0.15 7.88 0.00 -1.26 -1.33 121.76 127.87 2vkw s ALA 539 Ca 0.03 1.21 -0.32 0.00 0.00 0.00 0.00 51.96 52.89 2vkw s ALA 539 Cb -0.01 -3.48 -0.12 0.00 0.00 0.00 0.00 23.12 19.52 2vkw s ALA 539 CO -0.06 -0.82 1.77 0.28 0.00 0.00 0.00 175.76 176.93 2vkw n VAL 540 N 0.07 0.21 0.00 0.00 0.31 -0.12 -1.53 118.33 117.27 2vkw n VAL 540 Ca 0.04 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2vkw n VAL 540 Cb 0.44 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 2vkw n VAL 540 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2vkw n GLY 541 N 4.05 2.55 3.76 2.92 0.00 -1.26 -4.99 105.19 112.22 2vkw n GLY 541 Ca 0.17 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 2vkw n GLY 541 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vkw s GLU 542 N 0.00 2.76 0.00 1.61 0.41 -0.58 -4.97 118.70 117.92 2vkw s GLU 542 Ca 0.00 1.51 0.09 0.00 -0.41 0.00 0.00 54.97 56.16 2vkw s GLU 542 Cb 0.00 -1.93 0.18 0.00 -1.78 0.00 0.00 34.13 30.59 2vkw s GLU 542 CO 0.00 -1.31 1.03 -0.85 -0.49 0.00 0.00 175.26 173.65 2vkw n GLU 543 N -2.29 1.73 -4.56 1.61 0.28 -1.26 -4.92 120.64 111.22 2vkw n GLU 543 Ca 0.11 -1.57 -0.33 0.00 -0.16 0.00 0.00 57.16 55.22 2vkw n GLU 543 Cb 0.51 -1.21 -0.16 0.00 1.43 0.00 0.00 31.44 32.01 2vkw n GLU 543 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2vkw s VAL 544 N -0.91 2.24 0.19 3.84 1.01 -1.26 -5.11 120.40 120.40 2vkw s VAL 544 Ca 0.16 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 2vkw s VAL 544 Cb 0.09 -1.92 -0.08 0.00 0.00 0.00 0.00 36.38 34.48 2vkw s VAL 544 CO 0.13 0.54 0.91 0.26 0.00 0.00 0.00 175.10 176.94 2vkw s TRP 545 N 0.88 3.92 -0.02 5.22 0.52 -1.26 -4.78 118.94 123.42 2vkw s TRP 545 Ca -0.05 1.83 -0.02 0.00 0.02 0.00 0.00 56.10 57.87 2vkw s TRP 545 Cb -0.15 -2.96 -0.04 0.00 -1.15 0.00 0.00 33.47 29.17 2vkw s TRP 545 CO -0.03 0.40 0.15 -1.01 0.02 0.00 0.00 176.95 176.48 2vkw s HIS 546 N -0.85 3.47 0.06 -1.98 3.76 -0.13 -4.92 115.29 114.69 2vkw s HIS 546 Ca 0.41 0.32 -0.01 0.00 -0.15 0.00 0.00 55.06 55.64 2vkw s HIS 546 Cb -0.25 -1.81 -0.04 0.00 1.11 0.00 0.00 32.58 31.59 2vkw s HIS 546 CO 0.30 0.62 -0.03 -1.54 -0.85 0.00 0.00 174.74 173.25 2vkw s SER 547 N -1.79 0.54 -0.21 1.40 1.04 -1.26 -0.73 113.70 112.68 2vkw s SER 547 Ca 0.25 -1.01 -0.18 0.00 0.48 0.00 0.00 55.95 55.49 2vkw s SER 547 Cb -0.12 0.19 0.06 0.00 0.10 0.00 0.00 66.02 66.25 2vkw s SER 547 CO 0.16 -0.59 0.55 -0.75 0.98 0.00 0.00 173.24 173.58 2vkw s LYS 548 N -3.92 0.62 0.00 4.02 2.36 -0.48 -4.98 119.74 117.36 2vkw s LYS 548 Ca 0.08 0.82 -0.09 0.00 -2.55 0.00 0.00 55.97 54.23 2vkw s LYS 548 Cb 0.08 0.25 -0.05 0.00 -1.05 0.00 0.00 37.83 37.06 2vkw s LYS 548 CO -0.09 -0.09 0.30 -1.58 1.55 0.00 0.00 175.35 175.44 2vkw s TRP 549 N 0.57 3.61 -0.02 4.03 0.52 -1.26 -1.21 118.94 125.19 2vkw s TRP 549 Ca -0.02 0.69 0.03 0.00 0.02 0.00 0.00 56.10 56.82 2vkw s TRP 549 Cb -0.05 -2.07 -0.00 0.00 -1.15 0.00 0.00 33.47 30.20 2vkw s TRP 549 CO -0.03 0.62 -0.12 0.71 0.02 0.00 0.00 176.95 178.15 2vkw s TYR 550 N -1.24 1.13 0.19 -1.98 1.51 0.80 -4.97 117.35 112.79 2vkw s TYR 550 Ca 0.26 -0.25 -0.31 0.00 -1.01 0.00 0.00 57.07 55.76 2vkw s TYR 550 Cb -0.14 -0.75 -0.09 0.00 -0.11 0.00 0.00 41.96 40.87 2vkw s TYR 550 CO 0.14 -0.06 1.39 0.34 -1.11 0.00 0.00 175.55 176.25 2vkw s ASP 551 N -0.09 6.78 0.10 2.29 2.15 -1.26 -0.73 116.67 125.91 2vkw s ASP 551 Ca 0.01 2.47 -0.18 0.00 0.43 0.00 0.00 52.55 55.29 2vkw s ASP 551 Cb -0.07 -2.61 -0.06 0.00 -0.30 0.00 0.00 42.92 39.89 2vkw s ASP 551 CO 0.00 -0.64 1.59 0.00 -0.17 0.00 0.00 175.17 175.95 2vkw h ALA 552 N 5.81 0.39 -0.65 3.66 0.00 -1.72 -1.32 119.26 125.44 2vkw h ALA 552 Ca -0.44 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 2vkw h ALA 552 Cb 1.21 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2vkw h ALA 552 CO 0.81 0.07 0.32 -0.22 0.00 0.00 0.00 179.25 180.23 2vkw h LYS 553 N 0.32 0.91 -0.36 0.00 3.64 -1.87 -1.37 116.57 117.83 2vkw h LYS 553 Ca 0.09 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 2vkw h LYS 553 Cb 0.32 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2vkw h LYS 553 CO 0.00 0.69 -0.01 1.49 -2.27 0.00 0.00 179.45 179.36 2vkw h GLU 554 N 0.91 0.64 -0.47 1.90 4.81 -1.92 -2.32 114.58 118.12 2vkw h GLU 554 Ca 0.23 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2vkw h GLU 554 Cb 0.08 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2vkw h GLU 554 CO -0.03 0.76 0.16 0.00 -0.73 0.00 0.00 179.01 179.17 2vkw h ALA 555 N 0.86 1.40 -0.23 2.92 0.00 -0.62 0.76 119.26 124.34 2vkw h ALA 555 Ca 0.10 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2vkw h ALA 555 Cb 0.48 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2vkw h ALA 555 CO 0.02 0.45 -0.08 0.77 0.00 0.00 0.00 179.25 180.41 2vkw h SER 556 N 0.68 0.47 -0.16 0.00 0.02 -1.12 0.27 113.55 113.71 2vkw h SER 556 Ca 0.16 -0.39 -0.15 0.00 -0.84 0.00 0.00 61.79 60.57 2vkw h SER 556 Cb 0.18 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2vkw h SER 556 CO -0.01 0.75 -0.50 0.24 -1.14 0.00 0.00 176.83 176.18 2vkw h MET 557 N 0.19 0.62 -0.54 3.45 2.86 -1.19 -3.19 114.93 117.14 2vkw h MET 557 Ca 0.06 -0.45 -0.09 0.00 -2.06 0.00 0.00 59.70 57.16 2vkw h MET 557 Cb 0.56 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 2vkw h MET 557 CO 0.03 1.07 -0.00 0.93 1.06 0.00 0.00 176.91 180.00 2vkw h GLU 558 N 0.29 0.95 0.00 1.72 4.39 -0.89 -3.47 114.58 117.56 2vkw h GLU 558 Ca -0.02 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.38 2vkw h GLU 558 Cb 1.12 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 2vkw h GLU 558 CO 0.11 0.97 0.00 0.41 -1.16 0.00 0.00 179.01 179.33 2vkw n GLY 559 N -0.39 0.67 3.81 -3.84 0.00 0.92 -5.03 105.19 101.33 2vkw n GLY 559 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 2vkw n GLY 559 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2vkw s ILE 560 N -2.39 0.00 -0.00 -0.61 -5.25 -1.12 -4.59 121.20 107.24 2vkw s ILE 560 Ca 0.00 -0.77 0.04 0.00 -0.99 0.00 0.00 60.65 58.94 2vkw s ILE 560 Cb 0.00 -2.30 -0.01 0.00 2.95 0.00 0.00 42.46 43.10 2vkw s ILE 560 CO 0.00 0.00 -0.13 0.68 -1.79 0.00 0.00 174.94 173.70 2vkw s VAL 561 N -3.05 1.03 -0.18 8.37 -7.23 -1.03 -4.61 120.40 113.69 2vkw s VAL 561 Ca 0.14 -0.63 -0.04 0.00 -1.81 0.00 0.00 61.98 59.64 2vkw s VAL 561 Cb -0.03 -0.88 -0.02 0.00 0.56 0.00 0.00 36.38 36.01 2vkw s VAL 561 CO 0.05 0.24 -0.03 -0.89 -0.31 0.00 0.00 175.10 174.16 2vkw s THR 562 N -0.40 3.79 -0.02 5.32 2.01 -1.26 -1.28 115.64 123.80 2vkw s THR 562 Ca 0.04 -0.38 -0.15 0.00 0.31 0.00 0.00 61.69 61.51 2vkw s THR 562 Cb -0.05 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.71 2vkw s THR 562 CO -0.00 0.46 0.41 -0.63 -0.69 0.00 0.00 174.62 174.17 2vkw s ILE 563 N 0.80 5.05 0.43 1.82 1.01 0.20 -4.93 121.20 125.59 2vkw s ILE 563 Ca -0.01 0.85 0.04 0.00 0.00 0.00 0.00 60.65 61.53 2vkw s ILE 563 Cb -0.14 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 2vkw s ILE 563 CO 0.02 0.54 0.04 0.68 0.00 0.00 0.00 174.94 176.21 2vkw s VAL 564 N -0.79 1.31 -0.32 2.92 -7.23 -1.26 -1.32 120.40 113.71 2vkw s VAL 564 Ca 0.24 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.40 2vkw s VAL 564 Cb -0.16 -2.57 0.00 0.00 0.56 0.00 0.00 36.38 34.21 2vkw s VAL 564 CO 0.13 0.00 0.06 0.61 -0.31 0.00 0.00 175.10 175.58 2vkw n GLY 565 N -1.00 0.32 4.02 2.32 0.00 -1.03 -4.94 105.19 104.87 2vkw n GLY 565 Ca -0.09 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.08 2vkw n GLY 565 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vkw s LEU 566 N -1.41 3.50 0.11 0.99 1.43 0.53 -5.03 118.68 118.80 2vkw s LEU 566 Ca 0.03 -0.54 0.10 0.00 -1.03 0.00 0.00 54.13 52.69 2vkw s LEU 566 Cb -0.01 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 2vkw s LEU 566 CO 0.04 -0.92 -0.24 -0.54 0.23 0.00 0.00 176.35 174.91 2vkw s LYS 567 N -4.44 1.58 0.75 1.70 1.02 -1.26 -4.44 119.74 114.65 2vkw s LYS 567 Ca 0.57 -1.26 -0.15 0.00 0.02 0.00 0.00 55.97 55.14 2vkw s LYS 567 Cb -0.09 -1.98 0.02 0.00 -0.52 0.00 0.00 37.83 35.26 2vkw s LYS 567 CO 0.35 0.47 0.92 -2.30 -0.92 0.00 0.00 175.35 173.87 2vkw n PRO 568 N 0.98 0.37 -4.29 -1.68 -0.02 -1.00 -3.75 135.00 125.63 2vkw n PRO 568 Ca -0.17 0.19 -0.31 0.00 -2.02 0.00 0.00 63.50 61.18 2vkw n PRO 568 Cb 0.53 -2.19 -0.09 0.00 -0.02 0.00 0.00 33.50 31.73 2vkw n PRO 568 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2vkw n GLU 569 N -1.96 -1.11 -4.38 -0.52 4.07 -0.22 -4.94 120.64 111.58 2vkw n GLU 569 Ca 0.12 0.11 -0.20 0.00 -0.06 0.00 0.00 57.16 57.14 2vkw n GLU 569 Cb 0.50 -3.63 -0.15 0.00 -0.06 0.00 0.00 31.44 28.10 2vkw n GLU 569 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 2vkw s THR 570 N -4.34 0.75 -0.08 6.31 2.01 -1.25 -4.92 115.64 114.13 2vkw s THR 570 Ca 0.01 -0.37 -0.23 0.00 0.31 0.00 0.00 61.69 61.41 2vkw s THR 570 Cb -0.01 -0.65 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 2vkw s THR 570 CO 0.99 0.23 0.70 -0.89 -0.69 0.00 0.00 174.62 174.96 2vkw s THR 571 N 0.01 5.04 0.21 -0.82 2.01 -1.26 -1.75 115.64 119.08 2vkw s THR 571 Ca -0.00 1.43 0.10 0.00 0.31 0.00 0.00 61.69 63.53 2vkw s THR 571 Cb -0.06 -4.04 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 2vkw s THR 571 CO 0.00 0.23 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.66 2vkw s TYR 572 N 0.93 2.05 -0.08 4.92 2.02 0.12 -0.94 117.35 126.36 2vkw s TYR 572 Ca 0.37 -0.42 0.04 0.00 -0.37 0.00 0.00 57.07 56.69 2vkw s TYR 572 Cb -0.17 -0.97 -0.01 0.00 -0.40 0.00 0.00 41.96 40.41 2vkw s TYR 572 CO 0.17 0.49 -0.21 0.00 -1.57 0.00 0.00 175.55 174.43 2vkw s ALA 573 N -2.24 2.31 0.02 3.71 0.00 -0.44 -1.15 121.76 123.96 2vkw s ALA 573 Ca 0.22 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.23 2vkw s ALA 573 Cb -0.05 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 2vkw s ALA 573 CO 0.10 0.36 -0.10 0.54 0.00 0.00 0.00 175.76 176.66 2vkw s VAL 574 N 0.02 0.80 0.05 0.00 0.11 0.16 -1.99 120.40 119.55 2vkw s VAL 574 Ca -0.08 -0.75 -0.07 0.00 -2.93 0.00 0.00 61.98 58.15 2vkw s VAL 574 Cb -0.15 -0.73 -0.01 0.00 -1.53 0.00 0.00 36.38 33.96 2vkw s VAL 574 CO 0.05 -0.01 0.13 0.00 -3.33 0.00 0.00 175.10 171.94 2vkw s ARG 575 N -0.85 0.68 0.20 1.54 1.70 0.80 -0.76 118.95 122.25 2vkw s ARG 575 Ca -0.00 -0.81 0.06 0.00 -0.47 0.00 0.00 55.73 54.51 2vkw s ARG 575 Cb -0.06 0.27 -0.05 0.00 -0.57 0.00 0.00 34.95 34.54 2vkw s ARG 575 CO 0.00 -0.18 -0.11 -0.51 -1.08 0.00 0.00 175.30 173.42 2vkw s LEU 576 N -2.35 2.50 0.09 -1.89 1.43 -1.26 -0.67 118.68 116.53 2vkw s LEU 576 Ca -0.02 -1.06 -0.11 0.00 -1.03 0.00 0.00 54.13 51.92 2vkw s LEU 576 Cb 0.01 -0.54 0.01 0.00 0.03 0.00 0.00 46.19 45.70 2vkw s LEU 576 CO -0.06 -0.27 0.25 0.00 0.23 0.00 0.00 176.35 176.50 2vkw s ALA 577 N -3.12 -0.43 0.03 4.21 0.00 -0.72 0.07 121.76 121.81 2vkw s ALA 577 Ca 0.22 -0.43 0.09 0.00 0.00 0.00 0.00 51.96 51.84 2vkw s ALA 577 Cb 0.01 0.52 -0.03 0.00 0.00 0.00 0.00 23.12 23.63 2vkw s ALA 577 CO 0.06 -0.53 -0.26 0.00 0.00 0.00 0.00 175.76 175.03 2vkw s ALA 578 N -3.73 2.27 -0.17 0.00 0.00 -1.26 -1.61 121.76 117.25 2vkw s ALA 578 Ca 0.04 -1.24 -0.01 0.00 0.00 0.00 0.00 51.96 50.74 2vkw s ALA 578 Cb 0.04 -0.51 -0.00 0.00 0.00 0.00 0.00 23.12 22.64 2vkw s ALA 578 CO -0.11 0.54 -0.11 -1.17 0.00 0.00 0.00 175.76 174.91 2vkw s LEU 579 N -1.16 2.65 0.00 0.00 2.96 -0.01 -0.00 118.68 123.12 2vkw s LEU 579 Ca 0.12 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.61 2vkw s LEU 579 Cb -0.10 -1.63 -0.00 0.00 0.50 0.00 0.00 46.19 44.96 2vkw s LEU 579 CO 0.02 0.06 0.02 -0.46 -1.32 0.00 0.00 176.35 174.67 2vkw n ASN 580 N 4.25 1.93 -0.06 3.68 0.23 -0.64 0.28 115.26 124.93 2vkw n ASN 580 Ca -0.19 -1.76 0.25 0.00 -0.53 0.00 0.00 54.58 52.35 2vkw n ASN 580 Cb 0.51 0.21 0.70 0.00 -2.08 0.00 0.00 39.78 39.13 2vkw n ASN 580 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2vkw h GLY 581 N 0.47 0.00 1.35 4.83 0.00 -1.82 -0.20 103.07 107.71 2vkw h GLY 581 Ca -0.13 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.99 2vkw h GLY 581 CO 0.22 0.00 -1.27 0.50 0.00 0.00 0.00 176.54 175.98 2vkw h LYS 582 N 0.00 0.00 0.00 4.80 1.79 -1.94 -3.51 116.57 117.71 2vkw h LYS 582 Ca 0.33 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.80 2vkw h LYS 582 Cb 1.63 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.28 2vkw h LYS 582 CO -0.00 0.53 0.00 0.41 -1.08 0.00 0.00 179.45 179.30 2vkw n GLY 583 N 1.41 0.96 3.71 3.86 0.00 -0.09 -4.88 105.19 110.15 2vkw n GLY 583 Ca -0.08 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 2vkw n GLY 583 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2vkw s LEU 584 N 0.00 4.33 0.00 0.99 2.96 -1.26 -1.62 118.68 124.08 2vkw s LEU 584 Ca 0.00 1.52 -0.01 0.00 -0.22 0.00 0.00 54.13 55.42 2vkw s LEU 584 Cb 0.00 -3.45 0.03 0.00 0.50 0.00 0.00 46.19 43.27 2vkw s LEU 584 CO 0.00 -0.26 0.18 0.61 -1.32 0.00 0.00 176.35 175.56 2vkw n GLY 585 N 3.00 -0.11 3.71 7.98 0.00 0.99 -4.86 105.19 115.90 2vkw n GLY 585 Ca 0.05 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 2vkw n GLY 585 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2vkw n GLU 586 N -1.37 2.40 -2.63 1.61 4.07 -0.95 -4.56 120.64 119.21 2vkw n GLU 586 Ca 0.03 0.85 -0.37 0.00 -0.06 0.00 0.00 57.16 57.61 2vkw n GLU 586 Cb 0.09 -2.57 -0.05 0.00 -0.06 0.00 0.00 31.44 28.85 2vkw n GLU 586 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 2vkw s ILE 587 N -0.14 3.88 0.87 6.31 1.10 -1.26 -3.63 121.20 128.33 2vkw s ILE 587 Ca 0.65 1.58 -0.12 0.00 -0.51 0.00 0.00 60.65 62.24 2vkw s ILE 587 Cb -0.56 -3.88 0.12 0.00 0.15 0.00 0.00 42.46 38.28 2vkw s ILE 587 CO 0.50 0.14 1.15 -0.94 -2.11 0.00 0.00 174.94 173.69 2vkw s SER 588 N -1.44 3.87 0.68 4.50 1.04 0.11 -4.83 113.70 117.62 2vkw s SER 588 Ca 0.52 0.93 -0.14 0.00 0.48 0.00 0.00 55.95 57.73 2vkw s SER 588 Cb -0.23 -1.49 0.01 0.00 0.10 0.00 0.00 66.02 64.42 2vkw s SER 588 CO 0.29 -2.32 1.10 0.00 0.98 0.00 0.00 173.24 173.29 2vkw s ALA 589 N -3.36 2.45 0.28 5.32 0.00 -1.26 -4.61 121.76 120.59 2vkw s ALA 589 Ca 0.63 0.48 -0.24 0.00 0.00 0.00 0.00 51.96 52.83 2vkw s ALA 589 Cb -0.14 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 2vkw s ALA 589 CO 0.52 -1.33 0.87 0.00 0.00 0.00 0.00 175.76 175.82 2vkw s ALA 590 N -2.46 3.29 -0.06 0.00 0.00 -1.26 -4.70 121.76 116.56 2vkw s ALA 590 Ca 0.66 0.41 0.04 0.00 0.00 0.00 0.00 51.96 53.07 2vkw s ALA 590 Cb -0.19 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 2vkw s ALA 590 CO 0.44 0.23 -0.18 -1.12 0.00 0.00 0.00 175.76 175.13 2vkw s SER 591 N -1.59 3.73 -0.07 0.00 0.01 0.06 -4.90 113.70 110.94 2vkw s SER 591 Ca 0.47 -0.31 -0.02 0.00 1.31 0.00 0.00 55.95 57.41 2vkw s SER 591 Cb -0.19 -0.88 -0.03 0.00 0.21 0.00 0.00 66.02 65.13 2vkw s SER 591 CO 0.23 0.30 0.01 -1.61 0.41 0.00 0.00 173.24 172.59 2vkw s GLU 592 N -0.46 2.98 0.06 12.44 2.02 -1.26 -0.66 118.70 133.82 2vkw s GLU 592 Ca 0.06 -0.43 -0.09 0.00 0.02 0.00 0.00 54.97 54.53 2vkw s GLU 592 Cb -0.12 -2.80 -0.00 0.00 0.10 0.00 0.00 34.13 31.31 2vkw s GLU 592 CO 0.02 0.69 0.18 -0.59 0.02 0.00 0.00 175.26 175.58 2vkw s PHE 593 N -0.94 0.12 -0.12 1.61 -0.12 -0.30 -4.98 117.98 113.25 2vkw s PHE 593 Ca 0.15 -0.46 0.02 0.00 -0.05 0.00 0.00 56.93 56.58 2vkw s PHE 593 Cb -0.11 -0.06 -0.00 0.00 -0.63 0.00 0.00 43.02 42.21 2vkw s PHE 593 CO 0.04 -0.48 -0.18 0.21 -0.05 0.00 0.00 175.22 174.76 2vkw s LYS 594 N -3.24 3.20 0.67 1.99 2.20 -1.26 0.12 119.74 123.41 2vkw s LYS 594 Ca 0.00 -0.79 -0.14 0.00 -0.36 0.00 0.00 55.97 54.68 2vkw s LYS 594 Cb 0.02 -2.48 0.01 0.00 -1.51 0.00 0.00 37.83 33.86 2vkw s LYS 594 CO -0.08 0.15 1.11 0.95 -0.36 0.00 0.00 175.35 177.12 2vkw s THR 595 N 0.46 3.27 0.90 3.43 -4.23 -0.72 -4.80 115.64 113.95 2vkw s THR 595 Ca -0.13 0.56 -0.11 0.00 -1.18 0.00 0.00 61.69 60.83 2vkw s THR 595 Cb -0.17 -3.08 0.13 0.00 1.34 0.00 0.00 72.50 70.72 2vkw s THR 595 CO 0.06 -0.39 1.10 -1.10 -0.54 0.00 0.00 174.62 173.74 2vkw s GLN 596 N -4.20 1.19 0.85 3.99 -1.52 0.13 -2.83 119.66 117.27 2vkw s GLN 596 Ca 0.66 1.09 -0.13 0.00 -1.95 0.00 0.00 55.36 55.03 2vkw s GLN 596 Cb -0.20 -1.78 0.11 0.00 -0.22 0.00 0.00 33.01 30.92 2vkw s GLN 596 CO 0.43 -2.37 1.22 -1.25 -0.25 0.00 0.00 175.29 173.08 2vkw s PRO 597 N -4.80 1.58 0.18 2.91 0.04 -1.26 -1.06 135.00 132.59 2vkw s PRO 597 Ca 0.64 -0.03 -0.33 0.00 0.04 0.00 0.00 61.00 61.32 2vkw s PRO 597 Cb -0.20 -1.92 -0.13 0.00 0.04 0.00 0.00 34.50 32.29 2vkw s PRO 597 CO 0.58 -1.84 1.58 0.28 0.04 0.00 0.00 177.00 177.64 2vkw n VAL 598 N -3.45 0.12 -2.76 -0.36 0.31 -1.26 -4.72 118.33 106.20 2vkw n VAL 598 Ca 0.10 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2vkw n VAL 598 Cb 0.61 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 2vkw n VAL 598 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2vkw n ARG 599 N 3.33 0.00 -1.94 5.55 1.85 0.18 -5.01 116.66 120.62 2vkw n ARG 599 Ca 0.16 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.65 2vkw n ARG 599 Cb 0.30 0.00 0.04 0.00 -1.05 0.00 0.00 32.46 31.75 2vkw n ARG 599 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 2vkw s GLU 600 N -0.58 2.86 0.90 2.89 1.03 -1.26 -4.35 118.70 120.18 2vkw s GLU 600 Ca 0.00 1.84 -0.11 0.00 0.03 0.00 0.00 54.97 56.73 2vkw s GLU 600 Cb 0.00 -1.91 0.13 0.00 -0.80 0.00 0.00 34.13 31.55 2vkw s GLU 600 CO 0.00 -1.30 1.09 -1.25 -1.33 0.00 0.00 175.26 172.48 2vkw s PRO 601 N -3.39 1.24 0.82 -4.83 0.04 -1.23 -4.29 135.00 123.36 2vkw s PRO 601 Ca 0.78 0.98 -0.12 0.00 0.04 0.00 0.00 61.00 62.68 2vkw s PRO 601 Cb -0.31 -1.80 0.09 0.00 0.04 0.00 0.00 34.50 32.52 2vkw s PRO 601 CO 0.35 -2.29 1.18 -1.12 0.04 0.00 0.00 177.00 175.15 2vkw s SER 602 N -3.25 4.40 0.40 6.66 0.01 0.81 -4.12 113.70 118.60 2vkw s SER 602 Ca 0.64 0.71 -0.26 0.00 1.31 0.00 0.00 55.95 58.35 2vkw s SER 602 Cb -0.19 -1.17 -0.09 0.00 0.21 0.00 0.00 66.02 64.79 2vkw s SER 602 CO 0.57 -1.96 1.25 0.00 0.41 0.00 0.00 173.24 173.52 2vkw s ALA 603 N -3.58 3.23 0.77 1.44 0.00 -1.26 -4.75 121.76 117.61 2vkw s ALA 603 Ca 0.63 1.14 -0.09 0.00 0.00 0.00 0.00 51.96 53.64 2vkw s ALA 603 Cb -0.10 -3.45 0.09 0.00 0.00 0.00 0.00 23.12 19.66 2vkw s ALA 603 CO 0.49 -0.71 1.11 -1.25 0.00 0.00 0.00 175.76 175.39 2vkw s PRO 604 N -2.23 1.87 -0.02 0.00 0.04 -1.26 -4.66 135.00 128.74 2vkw s PRO 604 Ca 0.57 -0.22 -0.00 0.00 0.04 0.00 0.00 61.00 61.38 2vkw s PRO 604 Cb -0.36 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 2vkw s PRO 604 CO 0.45 -1.53 0.05 0.15 0.04 0.00 0.00 177.00 176.17 2vkw s LYS 605 N -5.43 2.99 -0.06 4.56 1.02 -0.95 -4.71 119.74 117.16 2vkw s LYS 605 Ca 0.63 -0.49 0.04 0.00 0.02 0.00 0.00 55.97 56.16 2vkw s LYS 605 Cb -0.09 -2.81 -0.02 0.00 -0.52 0.00 0.00 37.83 34.38 2vkw s LYS 605 CO 0.47 0.66 -0.17 -0.51 -0.92 0.00 0.00 175.35 174.88 2vkw s LEU 606 N -1.52 2.55 -0.20 3.17 1.43 -1.26 -0.58 118.68 122.28 2vkw s LEU 606 Ca 0.20 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 52.98 2vkw s LEU 606 Cb -0.12 -1.51 0.06 0.00 0.03 0.00 0.00 46.19 44.64 2vkw s LEU 606 CO 0.11 0.29 -0.00 -0.70 0.23 0.00 0.00 176.35 176.27 2vkw s GLU 607 N -0.40 1.03 0.46 1.70 2.12 -0.44 -4.96 118.70 118.21 2vkw s GLU 607 Ca 0.04 -0.57 -0.22 0.00 0.36 0.00 0.00 54.97 54.58 2vkw s GLU 607 Cb -0.12 -2.19 -0.08 0.00 0.26 0.00 0.00 34.13 32.00 2vkw s GLU 607 CO 0.02 -0.59 1.11 0.20 -0.54 0.00 0.00 175.26 175.47 2vkw s GLY 608 N 1.70 2.71 -0.08 -1.50 0.00 -1.26 -0.92 107.32 107.97 2vkw s GLY 608 Ca -0.02 0.82 -0.14 0.00 0.00 0.00 0.00 44.72 45.38 2vkw s GLY 608 CO -0.07 1.24 0.36 1.62 0.00 0.00 0.00 173.10 176.24 2vkw s GLN 609 N -2.80 0.56 0.28 2.90 0.74 -0.28 -4.92 119.66 116.14 2vkw s GLN 609 Ca 0.64 0.20 -0.30 0.00 0.05 0.00 0.00 55.36 55.95 2vkw s GLN 609 Cb -0.25 0.26 -0.13 0.00 1.10 0.00 0.00 33.01 33.99 2vkw s GLN 609 CO 0.30 -0.12 1.38 -0.12 -0.55 0.00 0.00 175.29 176.18 2vkw n MET 610 N 2.12 2.13 0.00 1.67 0.00 -1.26 -0.57 117.12 121.20 2vkw n MET 610 Ca -0.17 0.75 0.00 0.00 -0.00 0.00 0.00 57.70 58.28 2vkw n MET 610 Cb 0.57 -2.39 0.00 0.00 0.00 0.00 0.00 33.22 31.40 2vkw n MET 610 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2vkw n GLY 611 N 1.64 1.37 0.16 -5.12 0.00 -1.24 -4.42 105.19 97.58 2vkw n GLY 611 Ca 0.09 -1.73 0.03 0.00 0.00 0.00 0.00 46.02 44.40 2vkw n GLY 611 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2vkw h GLU 612 N 0.00 0.00 -4.01 1.61 5.08 -1.93 -3.47 114.58 111.86 2vkw h GLU 612 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 2vkw h GLU 612 Cb 0.00 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.13 2vkw h GLU 612 CO 0.00 0.50 -0.34 -0.51 -1.00 0.00 0.00 179.01 177.65 2vkw s ASP 613 N -6.51 0.04 0.35 1.42 1.01 -1.26 -5.04 116.67 106.67 2vkw s ASP 613 Ca 0.01 -1.04 0.08 0.00 0.71 0.00 0.00 52.55 52.31 2vkw s ASP 613 Cb 0.10 0.47 0.78 0.00 1.01 0.00 0.00 42.92 45.28 2vkw s ASP 613 CO 0.72 -0.95 1.90 1.23 0.21 0.00 0.00 175.17 178.28 2vkw h GLY 614 N 2.48 1.12 -4.64 0.21 0.00 -2.00 -0.80 103.07 99.43 2vkw h GLY 614 Ca -0.31 -0.31 -0.58 0.00 0.00 0.00 0.00 47.33 46.14 2vkw h GLY 614 CO 0.46 0.15 0.59 1.16 0.00 0.00 0.00 176.54 178.90 2vkw n ASN 615 N -4.53 6.80 -3.62 0.19 6.94 -1.26 -1.39 115.26 118.39 2vkw n ASN 615 Ca 0.15 -3.40 -0.10 0.00 -0.02 0.00 0.00 54.58 51.21 2vkw n ASN 615 Cb 0.38 -1.18 -0.03 0.00 -2.36 0.00 0.00 39.78 36.59 2vkw n ASN 615 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2vkw s SER 616 N -0.09 -0.36 -0.24 0.53 0.15 -0.31 -1.30 113.70 112.08 2vkw s SER 616 Ca 0.56 -0.30 -0.25 0.00 0.70 0.00 0.00 55.95 56.67 2vkw s SER 616 Cb 0.40 0.58 0.07 0.00 -1.71 0.00 0.00 66.02 65.35 2vkw s SER 616 CO -0.27 -1.01 0.70 -0.51 1.20 0.00 0.00 173.24 173.35 2vkw s ILE 617 N -3.82 0.00 -0.34 6.45 2.07 -0.80 -3.70 121.20 121.06 2vkw s ILE 617 Ca 0.05 -0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.19 2vkw s ILE 617 Cb -0.01 -0.98 0.01 0.00 0.13 0.00 0.00 42.46 41.61 2vkw s ILE 617 CO -0.07 -0.00 0.17 -0.75 -1.91 0.00 0.00 174.94 172.37 2vkw s LYS 618 N 0.22 3.03 -0.55 3.50 2.20 0.26 -1.54 119.74 126.85 2vkw s LYS 618 Ca -0.01 -0.93 -0.18 0.00 -0.36 0.00 0.00 55.97 54.49 2vkw s LYS 618 Cb -0.04 -3.61 0.09 0.00 -1.51 0.00 0.00 37.83 32.76 2vkw s LYS 618 CO 0.02 -0.57 0.61 0.08 -0.36 0.00 0.00 175.35 175.13 2vkw s VAL 619 N 1.56 4.95 0.34 4.02 1.01 -0.09 -1.12 120.40 131.07 2vkw s VAL 619 Ca 0.03 -0.98 -0.26 0.00 0.00 0.00 0.00 61.98 60.77 2vkw s VAL 619 Cb -0.18 -4.37 -0.09 0.00 0.00 0.00 0.00 36.38 31.73 2vkw s VAL 619 CO 0.06 -0.94 1.02 0.20 0.00 0.00 0.00 175.10 175.44 2vkw s ASN 620 N 3.28 7.11 -0.41 3.32 0.02 -0.10 -1.31 114.94 126.84 2vkw s ASN 620 Ca 0.10 2.02 -0.14 0.00 -1.02 0.00 0.00 52.86 53.82 2vkw s ASN 620 Cb -0.24 -2.59 0.04 0.00 0.02 0.00 0.00 41.25 38.47 2vkw s ASN 620 CO 0.07 -0.24 0.29 -0.76 0.02 0.00 0.00 177.10 176.48 2vkw s LEU 621 N -2.10 5.11 -0.83 0.60 1.43 -0.05 -1.33 118.68 121.51 2vkw s LEU 621 Ca 0.51 -1.05 -0.21 0.00 -1.03 0.00 0.00 54.13 52.35 2vkw s LEU 621 Cb -0.23 -2.12 0.09 0.00 0.03 0.00 0.00 46.19 43.96 2vkw s LEU 621 CO 0.30 -0.48 1.13 -0.63 0.23 0.00 0.00 176.35 176.90 2vkw s ILE 622 N 1.62 4.38 0.13 -0.59 -1.09 0.26 -4.87 121.20 121.03 2vkw s ILE 622 Ca 0.04 -0.86 -0.35 0.00 -2.23 0.00 0.00 60.65 57.25 2vkw s ILE 622 Cb -0.20 -4.80 -0.16 0.00 -1.58 0.00 0.00 42.46 35.71 2vkw s ILE 622 CO 0.08 -1.59 1.21 0.29 -1.23 0.00 0.00 174.94 173.71 2vkw n LYS 623 N 7.56 1.08 -4.76 2.79 4.76 -1.26 -2.25 118.16 126.09 2vkw n LYS 623 Ca 0.14 0.39 -0.33 0.00 -2.87 0.00 0.00 58.31 55.64 2vkw n LYS 623 Cb 0.48 -1.93 -0.08 0.00 -1.84 0.00 0.00 35.03 31.66 2vkw n LYS 623 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2vkw s GLN 624 N -0.04 2.19 -0.28 1.97 -1.52 -1.26 -4.89 119.66 115.83 2vkw s GLN 624 Ca 0.78 -2.40 -0.43 0.00 -1.95 0.00 0.00 55.36 51.36 2vkw s GLN 624 Cb -0.91 -1.53 -0.18 0.00 -0.22 0.00 0.00 33.01 30.16 2vkw s GLN 624 CO 0.50 -0.36 1.51 -3.47 -0.25 0.00 0.00 175.29 173.23 2vkw n ASP 625 N -1.26 1.36 -0.26 5.90 -0.08 -1.26 -4.80 116.55 116.14 2vkw n ASP 625 Ca -0.19 1.14 0.15 0.00 -1.51 0.00 0.00 54.79 54.38 2vkw n ASP 625 Cb 0.67 -0.99 0.68 0.00 2.34 0.00 0.00 41.12 43.81 2vkw n ASP 625 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2vkw n ASP 626 N 3.76 0.85 0.00 1.67 5.75 -1.26 -0.14 116.55 127.18 2vkw n ASP 626 Ca 0.26 -1.20 0.00 0.00 -0.01 0.00 0.00 54.79 53.84 2vkw n ASP 626 Cb 0.05 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 2vkw n ASP 626 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2vkw n GLY 627 N 1.13 0.76 0.00 6.12 0.00 -1.26 -3.51 105.19 108.43 2vkw n GLY 627 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2vkw n GLY 627 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vkw n GLY 628 N -2.38 0.95 2.98 -0.02 0.00 -1.26 0.47 105.19 105.93 2vkw n GLY 628 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2vkw n GLY 628 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vkw s SER 629 N -1.87 -0.03 0.07 1.61 1.04 -1.25 -4.98 113.70 108.28 2vkw s SER 629 Ca 0.00 0.04 -0.37 0.00 0.48 0.00 0.00 55.95 56.11 2vkw s SER 629 Cb 0.00 0.16 -0.19 0.00 0.10 0.00 0.00 66.02 66.10 2vkw s SER 629 CO 0.00 -0.10 1.02 -2.65 0.98 0.00 0.00 173.24 172.49 2vkw n PRO 630 N 2.68 0.28 -2.22 4.02 -0.02 -1.26 -4.81 135.00 133.67 2vkw n PRO 630 Ca -0.15 0.10 -0.41 0.00 -2.02 0.00 0.00 63.50 61.02 2vkw n PRO 630 Cb 0.58 -1.53 -0.03 0.00 -0.02 0.00 0.00 33.50 32.50 2vkw n PRO 630 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2vkw s ILE 631 N -0.14 3.04 -0.11 4.25 1.01 -1.26 -4.34 121.20 123.65 2vkw s ILE 631 Ca 0.83 0.97 0.17 0.00 0.00 0.00 0.00 60.65 62.62 2vkw s ILE 631 Cb -1.12 -3.62 -0.16 0.00 0.01 0.00 0.00 42.46 37.57 2vkw s ILE 631 CO 0.55 0.20 0.73 0.54 0.00 0.00 0.00 174.94 176.96 2vkw n ARG 632 N 1.58 0.63 0.00 2.79 1.74 0.13 -4.60 116.66 118.93 2vkw n ARG 632 Ca 0.02 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 2vkw n ARG 632 Cb 0.43 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 2vkw n ARG 632 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 2vkw n HIS 633 N -2.87 0.00 -4.59 -1.55 1.44 -1.14 -3.53 115.22 102.97 2vkw n HIS 633 Ca -0.12 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.25 2vkw n HIS 633 Cb 0.88 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.87 2vkw n HIS 633 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2vkw s TYR 634 N -2.00 2.94 -0.20 -1.40 2.02 0.59 -1.93 117.35 117.38 2vkw s TYR 634 Ca 0.00 -0.16 -0.07 0.00 -0.37 0.00 0.00 57.07 56.47 2vkw s TYR 634 Cb 0.00 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.72 2vkw s TYR 634 CO 0.00 0.15 0.05 -0.51 -1.57 0.00 0.00 175.55 173.66 2vkw s LEU 635 N -0.31 3.61 -0.12 -1.29 1.43 0.53 -0.55 118.68 121.98 2vkw s LEU 635 Ca 0.04 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 2vkw s LEU 635 Cb -0.13 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.18 2vkw s LEU 635 CO 0.02 0.11 -0.18 -0.69 0.23 0.00 0.00 176.35 175.84 2vkw s VAL 636 N 0.72 1.74 -0.05 -1.59 1.01 1.00 -0.72 120.40 122.51 2vkw s VAL 636 Ca 0.02 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.27 2vkw s VAL 636 Cb -0.14 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 2vkw s VAL 636 CO 0.02 0.49 -0.23 -0.13 0.00 0.00 0.00 175.10 175.25 2vkw s ARG 637 N 0.85 2.27 0.16 2.72 1.81 -0.41 -0.63 118.95 125.72 2vkw s ARG 637 Ca -0.08 -0.81 -0.17 0.00 -1.72 0.00 0.00 55.73 52.94 2vkw s ARG 637 Cb -0.15 -1.95 0.03 0.00 -0.45 0.00 0.00 34.95 32.43 2vkw s ARG 637 CO -0.00 0.35 0.47 1.52 -0.68 0.00 0.00 175.30 176.96 2vkw s TYR 638 N -0.14 -0.19 0.11 -0.53 -0.85 -1.26 -0.42 117.35 114.07 2vkw s TYR 638 Ca -0.02 -0.13 -0.26 0.00 -0.52 0.00 0.00 57.07 56.14 2vkw s TYR 638 Cb -0.13 0.33 0.07 0.00 0.38 0.00 0.00 41.96 42.62 2vkw s TYR 638 CO 0.03 -0.80 0.94 -0.98 -1.52 0.00 0.00 175.55 173.22 2vkw s ARG 639 N -3.83 1.09 0.12 -3.49 1.70 -1.07 -1.49 118.95 111.98 2vkw s ARG 639 Ca 0.06 -0.56 -0.14 0.00 -0.47 0.00 0.00 55.73 54.62 2vkw s ARG 639 Cb 0.00 0.40 -0.07 0.00 -0.57 0.00 0.00 34.95 34.72 2vkw s ARG 639 CO -0.08 -0.49 0.52 0.00 -1.08 0.00 0.00 175.30 174.17 2vkw s ALA 640 N -3.24 3.61 0.58 7.88 0.00 -1.26 -1.93 121.76 127.39 2vkw s ALA 640 Ca 0.10 -0.15 0.28 0.00 0.00 0.00 0.00 51.96 52.19 2vkw s ALA 640 Cb -0.01 -2.49 1.69 0.00 0.00 0.00 0.00 23.12 22.30 2vkw s ALA 640 CO -0.01 0.46 2.19 -0.07 0.00 0.00 0.00 175.76 178.33 2vkw h LEU 641 N 3.76 0.00 -0.34 0.00 3.38 -1.66 -1.66 115.31 118.79 2vkw h LEU 641 Ca -0.49 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.43 2vkw h LEU 641 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2vkw h LEU 641 CO 0.65 0.00 -0.25 0.28 0.09 0.00 0.00 178.44 179.22 2vkw h SER 642 N 0.00 0.00 -1.89 -0.43 0.02 -1.93 -3.48 113.55 105.84 2vkw h SER 642 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2vkw h SER 642 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2vkw h SER 642 CO -0.00 0.25 0.00 -1.54 -1.14 0.00 0.00 176.83 174.40 2vkw n SER 643 N -3.21 1.50 -4.85 3.07 3.41 -0.62 -5.15 113.62 107.77 2vkw n SER 643 Ca 0.02 -0.57 -0.31 0.00 -0.26 0.00 0.00 58.87 57.74 2vkw n SER 643 Cb 0.57 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.53 2vkw n SER 643 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2vkw s GLU 644 N -0.72 3.51 0.50 4.33 2.56 -1.26 -4.57 118.70 123.05 2vkw s GLU 644 Ca 0.00 0.89 -0.22 0.00 0.00 0.00 0.00 54.97 55.64 2vkw s GLU 644 Cb 0.00 -2.07 -0.06 0.00 2.00 0.00 0.00 34.13 34.00 2vkw s GLU 644 CO 0.00 -0.64 1.23 -1.58 -0.56 0.00 0.00 175.26 173.72 2vkw s TRP 645 N -2.93 2.65 0.51 5.30 0.52 -1.26 -4.53 118.94 119.19 2vkw s TRP 645 Ca 0.58 1.48 -0.04 0.00 0.02 0.00 0.00 56.10 58.13 2vkw s TRP 645 Cb -0.12 -3.53 -0.02 0.00 -1.15 0.00 0.00 33.47 28.66 2vkw s TRP 645 CO 0.47 -2.01 0.80 0.15 0.02 0.00 0.00 176.95 176.37 2vkw s LYS 646 N -2.80 3.25 0.75 4.98 -0.14 -0.56 -5.01 119.74 120.21 2vkw s LYS 646 Ca 0.67 0.00 -0.15 0.00 -1.36 0.00 0.00 55.97 55.13 2vkw s LYS 646 Cb -0.33 -2.38 0.05 0.00 -1.68 0.00 0.00 37.83 33.49 2vkw s LYS 646 CO 0.39 -0.37 1.22 -2.30 -0.76 0.00 0.00 175.35 173.53 2vkw n PRO 647 N -2.32 0.53 -2.02 -1.68 -0.02 -1.26 -4.61 135.00 123.61 2vkw n PRO 647 Ca 0.02 0.25 -0.41 0.00 -2.02 0.00 0.00 63.50 61.34 2vkw n PRO 647 Cb 0.56 -2.46 -0.01 0.00 -0.02 0.00 0.00 33.50 31.57 2vkw n PRO 647 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2vkw s GLU 648 N -3.81 4.25 -0.18 -0.52 2.12 -1.26 -4.82 118.70 114.48 2vkw s GLU 648 Ca 0.77 2.31 -0.05 0.00 0.36 0.00 0.00 54.97 58.36 2vkw s GLU 648 Cb -0.33 -3.01 -0.03 0.00 0.26 0.00 0.00 34.13 31.03 2vkw s GLU 648 CO 0.47 -0.32 -0.00 0.42 -0.54 0.00 0.00 175.26 175.29 2vkw s ILE 649 N -1.15 4.04 -0.18 -3.70 1.01 0.20 -4.94 121.20 116.48 2vkw s ILE 649 Ca 0.51 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.81 2vkw s ILE 649 Cb -0.41 -2.81 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 2vkw s ILE 649 CO 0.55 0.45 0.00 -0.13 0.00 0.00 0.00 174.94 175.82 2vkw s ARG 650 N 0.73 3.73 0.03 2.79 0.52 -1.26 -0.00 118.95 125.50 2vkw s ARG 650 Ca -0.00 -0.47 0.09 0.00 -0.52 0.00 0.00 55.73 54.83 2vkw s ARG 650 Cb -0.14 -3.05 -0.03 0.00 0.52 0.00 0.00 34.95 32.25 2vkw s ARG 650 CO 0.02 0.17 -0.26 -0.51 0.02 0.00 0.00 175.30 174.73 2vkw s LEU 651 N 0.60 2.14 0.56 2.53 1.02 0.28 -4.96 118.68 120.86 2vkw s LEU 651 Ca -0.00 -0.56 -0.18 0.00 0.02 0.00 0.00 54.13 53.40 2vkw s LEU 651 Cb -0.14 -1.30 -0.05 0.00 0.02 0.00 0.00 46.19 44.73 2vkw s LEU 651 CO 0.02 0.27 1.11 -2.16 0.02 0.00 0.00 176.35 175.62 2vkw s PRO 652 N -1.09 3.28 0.46 1.29 0.04 -1.26 -0.30 135.00 137.41 2vkw s PRO 652 Ca 0.11 1.53 0.26 0.00 0.04 0.00 0.00 61.00 62.93 2vkw s PRO 652 Cb -0.10 -2.00 1.29 0.00 0.04 0.00 0.00 34.50 33.73 2vkw s PRO 652 CO 0.01 -0.89 1.80 1.03 0.04 0.00 0.00 177.00 178.99 2vkw h SER 653 N 0.95 0.25 0.34 6.66 0.87 -1.81 -1.02 113.55 119.80 2vkw h SER 653 Ca -0.49 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.08 2vkw h SER 653 Cb 1.25 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 2vkw h SER 653 CO 0.56 0.05 -0.18 1.23 -0.53 0.00 0.00 176.83 177.97 2vkw h GLY 654 N 0.22 0.00 -4.80 5.77 0.00 -1.91 -3.45 103.07 98.90 2vkw h GLY 654 Ca 0.56 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 47.27 2vkw h GLY 654 CO -0.17 0.00 0.33 1.44 0.00 0.00 0.00 176.54 178.14 2vkw n SER 655 N -3.87 1.71 -0.52 0.19 7.64 -0.39 -4.90 113.62 113.49 2vkw n SER 655 Ca -0.02 1.15 0.08 0.00 1.01 0.00 0.00 58.87 61.09 2vkw n SER 655 Cb 0.27 -1.29 0.04 0.00 -1.01 0.00 0.00 64.21 62.22 2vkw n SER 655 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2vkw n ASP 656 N 1.85 2.01 -3.48 6.43 5.68 -1.26 -4.91 116.55 122.86 2vkw n ASP 656 Ca 0.13 -1.50 -0.05 0.00 -0.50 0.00 0.00 54.79 52.86 2vkw n ASP 656 Cb 0.28 0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 2vkw n ASP 656 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 2vkw s HIS 657 N -1.59 -0.02 -0.03 2.11 -3.43 -1.26 -0.87 115.29 110.20 2vkw s HIS 657 Ca 0.16 -0.41 -0.01 0.00 -0.80 0.00 0.00 55.06 54.00 2vkw s HIS 657 Cb 0.13 0.71 0.03 0.00 -1.43 0.00 0.00 32.58 32.02 2vkw s HIS 657 CO 0.29 -1.08 0.05 0.54 -2.00 0.00 0.00 174.74 172.54 2vkw s VAL 658 N -2.84 -0.05 -0.22 -5.38 0.11 -0.43 -4.93 120.40 106.66 2vkw s VAL 658 Ca 0.16 0.19 -0.09 0.00 -2.93 0.00 0.00 61.98 59.31 2vkw s VAL 658 Cb -0.03 -0.11 -0.04 0.00 -1.53 0.00 0.00 36.38 34.67 2vkw s VAL 658 CO 0.06 0.08 0.12 -0.32 -3.33 0.00 0.00 175.10 171.70 2vkw s MET 659 N 0.99 3.99 -0.32 1.54 1.75 -1.26 -0.92 119.30 125.08 2vkw s MET 659 Ca -0.08 -0.32 -0.07 0.00 -1.25 0.00 0.00 55.69 53.97 2vkw s MET 659 Cb -0.11 -3.41 0.02 0.00 2.84 0.00 0.00 34.83 34.17 2vkw s MET 659 CO -0.03 0.11 0.10 -0.51 -0.65 0.00 0.00 175.02 174.04 2vkw s LEU 660 N 0.88 4.11 0.44 4.11 1.43 -0.59 -5.01 118.68 124.05 2vkw s LEU 660 Ca 0.06 -0.88 0.07 0.00 -1.03 0.00 0.00 54.13 52.35 2vkw s LEU 660 Cb -0.13 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 2vkw s LEU 660 CO 0.03 -0.26 0.28 -0.54 0.23 0.00 0.00 176.35 176.09 2vkw s LYS 661 N 1.48 2.34 -1.52 1.70 1.02 -1.26 -1.91 119.74 121.59 2vkw s LYS 661 Ca 0.01 -1.77 -0.10 0.00 0.02 0.00 0.00 55.97 54.13 2vkw s LYS 661 Cb -0.18 -2.14 0.07 0.00 -0.52 0.00 0.00 37.83 35.06 2vkw s LYS 661 CO 0.03 -0.23 0.77 0.43 -0.92 0.00 0.00 175.35 175.44 2vkw n SER 662 N -1.43 -2.91 -4.91 2.83 7.64 -1.19 -4.97 113.62 108.69 2vkw n SER 662 Ca 0.00 -0.89 -0.28 0.00 1.01 0.00 0.00 58.87 58.71 2vkw n SER 662 Cb 0.64 -3.45 0.04 0.00 -1.01 0.00 0.00 64.21 60.43 2vkw n SER 662 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2vkw s LEU 663 N -7.12 3.09 0.52 -3.43 1.43 -0.42 -5.05 118.68 107.70 2vkw s LEU 663 Ca 0.44 0.83 -0.19 0.00 -1.03 0.00 0.00 54.13 54.18 2vkw s LEU 663 Cb -0.23 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.29 2vkw s LEU 663 CO 0.87 -1.19 1.04 -1.81 0.23 0.00 0.00 176.35 175.48 2vkw s ASP 664 N -4.34 6.19 0.31 2.29 1.01 -1.26 -4.72 116.67 116.15 2vkw s ASP 664 Ca 0.56 1.89 -0.27 0.00 0.71 0.00 0.00 52.55 55.44 2vkw s ASP 664 Cb -0.11 -2.55 -0.10 0.00 1.01 0.00 0.00 42.92 41.18 2vkw s ASP 664 CO 0.47 -0.88 0.96 0.26 0.21 0.00 0.00 175.17 176.19 2vkw s TRP 665 N -2.12 3.71 -0.98 4.23 0.52 -1.26 -3.94 118.94 119.10 2vkw s TRP 665 Ca 0.66 1.80 -0.10 0.00 0.02 0.00 0.00 56.10 58.48 2vkw s TRP 665 Cb -0.16 -2.97 0.09 0.00 -1.15 0.00 0.00 33.47 29.28 2vkw s TRP 665 CO 0.25 0.16 0.32 -1.71 0.02 0.00 0.00 176.95 175.98 2vkw n ASN 666 N 0.72 -2.15 -4.68 2.95 5.15 -1.24 -4.89 115.26 111.12 2vkw n ASN 666 Ca 0.01 -0.29 -0.24 0.00 -0.60 0.00 0.00 54.58 53.46 2vkw n ASN 666 Cb 0.49 -1.87 -0.07 0.00 -0.53 0.00 0.00 39.78 37.80 2vkw n ASN 666 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2vkw s ALA 667 N -2.66 3.24 0.13 5.20 0.00 -1.25 -4.82 121.76 121.60 2vkw s ALA 667 Ca 0.36 -1.52 -0.20 0.00 0.00 0.00 0.00 51.96 50.60 2vkw s ALA 667 Cb -0.21 -0.92 -0.07 0.00 0.00 0.00 0.00 23.12 21.92 2vkw s ALA 667 CO 0.45 0.33 0.64 -1.21 0.00 0.00 0.00 175.76 175.97 2vkw s GLU 668 N -3.46 4.26 0.12 0.00 2.02 -1.26 -1.40 118.70 118.99 2vkw s GLU 668 Ca 0.30 0.83 0.03 0.00 0.02 0.00 0.00 54.97 56.15 2vkw s GLU 668 Cb -0.08 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 30.98 2vkw s GLU 668 CO 0.20 0.56 -0.09 0.71 0.02 0.00 0.00 175.26 176.66 2vkw s TYR 669 N -1.25 1.09 0.01 1.61 2.02 0.18 -1.69 117.35 119.32 2vkw s TYR 669 Ca 0.34 -0.82 0.03 0.00 -0.37 0.00 0.00 57.07 56.25 2vkw s TYR 669 Cb -0.19 -0.58 -0.01 0.00 -0.40 0.00 0.00 41.96 40.77 2vkw s TYR 669 CO 0.21 -0.02 -0.08 -1.83 -1.57 0.00 0.00 175.55 172.26 2vkw s GLU 670 N -3.72 0.63 0.00 -0.62 -1.05 -0.81 -1.85 118.70 111.28 2vkw s GLU 670 Ca 0.14 -0.44 0.03 0.00 -0.15 0.00 0.00 54.97 54.55 2vkw s GLU 670 Cb 0.03 -0.57 -0.01 0.00 -0.44 0.00 0.00 34.13 33.14 2vkw s GLU 670 CO -0.02 0.15 -0.10 0.08 0.95 0.00 0.00 175.26 176.32 2vkw s VAL 671 N -0.52 0.81 -0.05 1.83 1.01 0.26 -2.58 120.40 121.16 2vkw s VAL 671 Ca 0.00 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.48 2vkw s VAL 671 Cb -0.05 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.63 2vkw s VAL 671 CO 0.00 0.16 -0.15 -0.31 0.00 0.00 0.00 175.10 174.79 2vkw s TYR 672 N -0.38 1.60 -0.08 5.22 2.02 0.44 -0.08 117.35 126.09 2vkw s TYR 672 Ca 0.03 -0.49 0.01 0.00 -0.37 0.00 0.00 57.07 56.24 2vkw s TYR 672 Cb -0.05 -1.10 0.02 0.00 -0.40 0.00 0.00 41.96 40.44 2vkw s TYR 672 CO -0.00 -0.19 -0.07 0.08 -1.57 0.00 0.00 175.55 173.80 2vkw s VAL 673 N 0.19 0.82 -0.10 0.71 1.01 -0.35 -1.28 120.40 121.40 2vkw s VAL 673 Ca -0.06 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.69 2vkw s VAL 673 Cb -0.12 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 2vkw s VAL 673 CO 0.03 0.31 -0.12 -0.69 0.00 0.00 0.00 175.10 174.62 2vkw s VAL 674 N 1.26 3.18 -0.21 2.92 1.01 0.10 -1.83 120.40 126.83 2vkw s VAL 674 Ca -0.05 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 2vkw s VAL 674 Cb -0.14 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 2vkw s VAL 674 CO -0.02 0.55 0.10 0.00 0.00 0.00 0.00 175.10 175.72 2vkw s ALA 675 N -0.06 3.49 -0.06 5.51 0.00 -1.26 -0.35 121.76 129.03 2vkw s ALA 675 Ca -0.02 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.18 2vkw s ALA 675 Cb -0.14 -2.09 -0.00 0.00 0.00 0.00 0.00 23.12 20.90 2vkw s ALA 675 CO 0.04 0.02 -0.18 -2.00 0.00 0.00 0.00 175.76 173.64 2vkw s GLU 676 N 0.65 2.01 0.00 0.00 2.12 -0.81 -1.08 118.70 121.59 2vkw s GLU 676 Ca 0.05 -0.64 0.00 0.00 0.36 0.00 0.00 54.97 54.74 2vkw s GLU 676 Cb -0.13 -1.68 0.00 0.00 0.26 0.00 0.00 34.13 32.58 2vkw s GLU 676 CO 0.01 0.21 0.00 0.27 -0.54 0.00 0.00 175.26 175.21 2vkw n ASN 677 N 3.29 1.67 -0.21 -1.70 0.23 -0.82 0.18 115.26 117.90 2vkw n ASN 677 Ca -0.19 -0.84 0.04 0.00 -0.53 0.00 0.00 54.58 53.06 2vkw n ASN 677 Cb 0.53 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 38.52 2vkw n ASN 677 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 2vkw h GLN 678 N 0.00 0.86 -0.04 -3.83 4.15 -1.88 -2.87 115.11 111.51 2vkw h GLN 678 Ca 0.00 -0.05 -0.15 0.00 0.77 0.00 0.00 58.65 59.21 2vkw h GLN 678 Cb 0.00 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.48 2vkw h GLN 678 CO 0.00 0.57 -0.67 1.96 -1.93 0.00 0.00 178.83 178.77 2vkw h GLN 679 N 0.89 0.19 0.00 1.69 1.08 -1.95 -3.50 115.11 113.51 2vkw h GLN 679 Ca 0.31 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 2vkw h GLN 679 Cb 0.12 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 2vkw h GLN 679 CO -0.10 0.79 0.00 0.41 -0.95 0.00 0.00 178.83 178.98 2vkw n GLY 680 N 0.40 -1.28 3.83 3.46 0.00 -1.08 -4.73 105.19 105.79 2vkw n GLY 680 Ca -0.02 -1.19 -0.36 0.00 0.00 0.00 0.00 46.02 44.44 2vkw n GLY 680 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vkw s LYS 681 N -1.87 3.43 0.98 1.61 1.02 -1.26 -1.95 119.74 121.70 2vkw s LYS 681 Ca 0.00 -0.19 -0.15 0.00 0.02 0.00 0.00 55.97 55.65 2vkw s LYS 681 Cb 0.00 -3.14 0.19 0.00 -0.52 0.00 0.00 37.83 34.36 2vkw s LYS 681 CO 0.00 0.72 1.19 -1.54 -0.92 0.00 0.00 175.35 174.81 2vkw s SER 682 N -0.88 2.88 0.77 2.83 1.04 -0.24 -4.85 113.70 115.25 2vkw s SER 682 Ca 0.14 0.66 -0.11 0.00 0.48 0.00 0.00 55.95 57.12 2vkw s SER 682 Cb -0.12 -0.98 0.05 0.00 0.10 0.00 0.00 66.02 65.07 2vkw s SER 682 CO 0.03 -2.91 1.08 -0.54 0.98 0.00 0.00 173.24 171.88 2vkw s LYS 683 N -5.52 2.29 0.01 4.02 1.02 -1.26 -4.71 119.74 115.59 2vkw s LYS 683 Ca 0.68 1.00 -0.24 0.00 0.02 0.00 0.00 55.97 57.43 2vkw s LYS 683 Cb -0.10 -1.91 -0.05 0.00 -0.52 0.00 0.00 37.83 35.25 2vkw s LYS 683 CO 0.53 -1.57 0.75 0.00 -0.92 0.00 0.00 175.35 174.14 2vkw s ALA 684 N -2.98 3.36 0.00 5.17 0.00 -1.26 -4.41 121.76 121.64 2vkw s ALA 684 Ca 0.60 0.24 -0.20 0.00 0.00 0.00 0.00 51.96 52.60 2vkw s ALA 684 Cb -0.16 -2.98 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 2vkw s ALA 684 CO 0.56 0.02 0.59 0.00 0.00 0.00 0.00 175.76 176.93 2vkw s ALA 685 N 0.17 3.49 0.01 0.00 0.00 -0.76 -4.89 121.76 119.79 2vkw s ALA 685 Ca 0.38 0.03 0.08 0.00 0.00 0.00 0.00 51.96 52.45 2vkw s ALA 685 Cb -0.20 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.16 2vkw s ALA 685 CO 0.22 0.18 -0.23 -3.38 0.00 0.00 0.00 175.76 172.55 2vkw s HIS 686 N -0.25 2.43 -0.04 0.00 -3.43 -1.26 -1.21 115.29 111.54 2vkw s HIS 686 Ca 0.31 -0.35 0.00 0.00 -0.80 0.00 0.00 55.06 54.23 2vkw s HIS 686 Cb -0.18 -1.47 0.03 0.00 -1.43 0.00 0.00 32.58 29.52 2vkw s HIS 686 CO 0.17 0.12 -0.01 0.12 -2.00 0.00 0.00 174.74 173.14 2vkw s PHE 687 N -0.77 0.47 -0.04 0.38 5.36 0.88 -4.98 117.98 119.27 2vkw s PHE 687 Ca 0.12 -0.07 0.06 0.00 -0.96 0.00 0.00 56.93 56.08 2vkw s PHE 687 Cb -0.10 -0.53 -0.01 0.00 -0.34 0.00 0.00 43.02 42.04 2vkw s PHE 687 CO 0.02 -0.17 -0.23 0.08 -1.46 0.00 0.00 175.22 173.46 2vkw s VAL 688 N 1.12 1.88 0.27 3.12 1.01 -1.26 0.91 120.40 127.44 2vkw s VAL 688 Ca -0.08 -0.98 -0.09 0.00 0.00 0.00 0.00 61.98 60.82 2vkw s VAL 688 Cb -0.14 -1.58 -0.00 0.00 0.00 0.00 0.00 36.38 34.66 2vkw s VAL 688 CO -0.02 0.53 0.46 0.72 0.00 0.00 0.00 175.10 176.79 2vkw s PHE 689 N -0.22 0.59 -0.13 5.22 -0.12 -0.77 -5.01 117.98 117.53 2vkw s PHE 689 Ca -0.00 -0.92 0.01 0.00 -0.05 0.00 0.00 56.93 55.96 2vkw s PHE 689 Cb -0.12 0.09 0.02 0.00 -0.63 0.00 0.00 43.02 42.38 2vkw s PHE 689 CO 0.02 -1.02 -0.14 0.50 -0.05 0.00 0.00 175.22 174.53 2vkw s ARG 690 N -3.73 2.23 0.58 1.99 3.52 -1.26 -0.65 118.95 121.63 2vkw s ARG 690 Ca 0.26 -0.54 -0.10 0.00 -0.13 0.00 0.00 55.73 55.22 2vkw s ARG 690 Cb -0.00 -2.00 0.15 0.00 -1.56 0.00 0.00 34.95 31.54 2vkw s ARG 690 CO 0.12 -0.17 0.45 0.25 -0.81 0.00 0.00 175.30 175.14 2vkw n THR 691 N 4.56 0.00 0.00 4.11 -2.24 -0.49 -4.91 114.28 115.31 2vkw n THR 691 Ca -0.17 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2vkw n THR 691 Cb 0.50 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 2vkw n THR 691 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50