#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fwu n ALA 502 N 0.00 3.00 -3.67 1.57 0.00 -1.24 -4.78 120.51 115.39 2fwu n ALA 502 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 2fwu n ALA 502 Cb 0.00 0.16 -0.18 0.00 0.00 0.00 0.00 19.45 19.43 2fwu n ALA 502 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2fwu s GLY 503 N -3.96 0.19 -0.47 0.00 0.00 -1.26 -4.40 107.32 97.42 2fwu s GLY 503 Ca 0.00 0.23 -0.10 0.00 0.00 0.00 0.00 44.72 44.85 2fwu s GLY 503 CO 0.00 1.38 0.36 -0.42 0.00 0.00 0.00 173.10 174.42 2fwu s ILE 504 N 2.13 4.40 -0.18 0.90 1.09 -1.26 -0.39 121.20 127.88 2fwu s ILE 504 Ca 0.04 -1.65 -0.01 0.00 -1.10 0.00 0.00 60.65 57.92 2fwu s ILE 504 Cb -0.12 -3.84 -0.00 0.00 -1.06 0.00 0.00 42.46 37.43 2fwu s ILE 504 CO -0.03 -0.74 -0.11 -0.36 -0.10 0.00 0.00 174.94 173.60 2fwu s PHE 505 N 1.42 2.86 0.15 3.97 0.08 -1.04 -3.06 117.98 122.37 2fwu s PHE 505 Ca 0.05 -1.04 -0.10 0.00 0.12 0.00 0.00 56.93 55.96 2fwu s PHE 505 Cb -0.26 -1.98 -0.00 0.00 -0.57 0.00 0.00 43.02 40.21 2fwu s PHE 505 CO 0.01 -0.52 0.30 -0.08 -0.10 0.00 0.00 175.22 174.82 2fwu s THR 506 N 1.11 0.08 0.42 0.64 -1.32 -1.26 0.00 115.64 115.30 2fwu s THR 506 Ca 0.01 -1.24 -0.01 0.00 -1.21 0.00 0.00 61.69 59.23 2fwu s THR 506 Cb -0.14 -1.69 -0.02 0.00 -1.51 0.00 0.00 72.50 69.14 2fwu s THR 506 CO -0.03 -0.34 0.65 -0.36 -2.21 0.00 0.00 174.62 172.33 2fwu s PHE 507 N -3.93 3.39 -0.13 9.09 0.08 -1.03 -2.75 117.98 122.70 2fwu s PHE 507 Ca 0.13 0.38 0.18 0.00 0.12 0.00 0.00 56.93 57.75 2fwu s PHE 507 Cb 0.03 -2.16 -0.24 0.00 -0.57 0.00 0.00 43.02 40.08 2fwu s PHE 507 CO -0.03 -0.17 0.40 -1.91 -0.10 0.00 0.00 175.22 173.42 2fwu n GLU 508 N -2.01 0.66 -3.47 0.44 0.00 -1.26 -4.72 120.64 110.27 2fwu n GLU 508 Ca -0.01 0.02 -0.39 0.00 0.00 0.00 0.00 57.16 56.78 2fwu n GLU 508 Cb 0.57 -1.61 -0.10 0.00 0.00 0.00 0.00 31.44 30.30 2fwu n GLU 508 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2fwu s GLU 509 N -2.87 4.01 0.35 5.31 8.01 -1.26 -4.89 118.70 127.36 2fwu s GLU 509 Ca -0.07 -0.09 0.23 0.00 0.01 0.00 0.00 54.97 55.05 2fwu s GLU 509 Cb 0.09 -3.64 0.34 0.00 -4.31 0.00 0.00 34.13 26.61 2fwu s GLU 509 CO 0.84 -0.21 1.52 -1.00 0.01 0.00 0.00 175.26 176.42 2fwu h PRO 510 N 8.16 0.00 -3.04 0.39 0.14 -1.78 -3.40 132.00 132.47 2fwu h PRO 510 Ca -0.33 0.00 -0.16 0.00 0.14 0.00 0.00 66.00 65.65 2fwu h PRO 510 Cb 1.17 0.00 -0.25 0.00 0.14 0.00 0.00 31.00 32.06 2fwu h PRO 510 CO 0.62 0.00 -0.39 0.08 0.14 0.00 0.00 178.00 178.45 2fwu s VAL 511 N -3.22 -0.00 -0.07 1.56 1.01 -1.26 -0.44 120.40 117.98 2fwu s VAL 511 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 2fwu s VAL 511 Cb 0.07 -0.40 0.03 0.00 0.00 0.00 0.00 36.38 36.08 2fwu s VAL 511 CO 0.68 0.00 0.02 0.28 0.00 0.00 0.00 175.10 176.09 2fwu s THR 512 N 0.19 0.21 -0.11 3.92 -1.32 0.38 -4.60 115.64 114.31 2fwu s THR 512 Ca -0.00 0.20 -0.22 0.00 -1.21 0.00 0.00 61.69 60.46 2fwu s THR 512 Cb -0.02 -0.42 -0.04 0.00 -1.51 0.00 0.00 72.50 70.51 2fwu s THR 512 CO 0.00 0.21 0.63 -1.00 -2.21 0.00 0.00 174.62 172.25 2fwu s HIS 513 N 2.04 3.52 0.23 9.09 3.76 -1.26 -1.58 115.29 131.09 2fwu s HIS 513 Ca 0.05 1.09 0.07 0.00 -0.15 0.00 0.00 55.06 56.12 2fwu s HIS 513 Cb -0.12 -2.74 -0.05 0.00 1.11 0.00 0.00 32.58 30.77 2fwu s HIS 513 CO -0.05 0.05 -0.12 0.14 -0.85 0.00 0.00 174.74 173.92 2fwu s VAL 514 N 1.00 1.71 0.61 -0.90 -7.23 -0.54 -4.76 120.40 110.29 2fwu s VAL 514 Ca 0.33 -2.19 -0.04 0.00 -1.81 0.00 0.00 61.98 58.27 2fwu s VAL 514 Cb -0.17 -2.18 0.03 0.00 0.56 0.00 0.00 36.38 34.63 2fwu s VAL 514 CO 0.14 -0.50 0.89 -0.44 -0.31 0.00 0.00 175.10 174.89 2fwu s SER 515 N -3.36 5.26 0.03 4.85 0.01 -1.26 -2.74 113.70 116.49 2fwu s SER 515 Ca 0.25 0.41 0.20 0.00 1.31 0.00 0.00 55.95 58.12 2fwu s SER 515 Cb 0.01 -1.28 -0.18 0.00 0.21 0.00 0.00 66.02 64.77 2fwu s SER 515 CO 0.09 -1.24 0.66 1.21 0.41 0.00 0.00 173.24 174.37 2fwu n GLU 516 N -2.60 0.64 -0.25 12.44 2.13 -1.08 -4.20 120.64 127.71 2fwu n GLU 516 Ca 0.06 0.05 0.01 0.00 0.66 0.00 0.00 57.16 57.95 2fwu n GLU 516 Cb 0.59 -1.69 0.10 0.00 0.27 0.00 0.00 31.44 30.72 2fwu n GLU 516 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2fwu n SER 517 N -2.65 2.34 -4.74 4.31 7.64 -1.26 -4.79 113.62 114.47 2fwu n SER 517 Ca -0.10 -2.26 -0.26 0.00 1.01 0.00 0.00 58.87 57.26 2fwu n SER 517 Cb 0.75 -0.55 -0.06 0.00 -1.01 0.00 0.00 64.21 63.34 2fwu n SER 517 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2fwu s ILE 518 N -1.43 4.10 -0.17 0.44 2.07 -1.26 -5.05 121.20 119.90 2fwu s ILE 518 Ca 0.15 -1.32 -0.15 0.00 -1.41 0.00 0.00 60.65 57.92 2fwu s ILE 518 Cb 0.11 -3.10 -0.05 0.00 0.13 0.00 0.00 42.46 39.55 2fwu s ILE 518 CO 0.04 -0.16 -0.29 0.61 -1.91 0.00 0.00 174.94 173.23 2fwu n GLY 519 N -0.40 -0.68 3.24 1.50 0.00 -1.26 -4.46 105.19 103.13 2fwu n GLY 519 Ca -0.09 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 2fwu n GLY 519 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fwu s ILE 520 N -2.68 1.90 -0.10 -0.61 -1.09 -1.26 -0.57 121.20 116.79 2fwu s ILE 520 Ca -0.24 -0.99 0.02 0.00 -2.23 0.00 0.00 60.65 57.20 2fwu s ILE 520 Cb 0.03 -1.60 -0.02 0.00 -1.58 0.00 0.00 42.46 39.29 2fwu s ILE 520 CO 0.36 0.53 -0.16 0.00 -1.23 0.00 0.00 174.94 174.45 2fwu s MET 521 N -0.20 3.08 0.08 2.79 0.23 -0.62 -4.94 119.30 119.72 2fwu s MET 521 Ca -0.01 -0.73 0.05 0.00 -1.03 0.00 0.00 55.69 53.96 2fwu s MET 521 Cb -0.12 -2.49 -0.04 0.00 -1.53 0.00 0.00 34.83 30.64 2fwu s MET 521 CO 0.02 0.32 -0.01 -1.21 -2.03 0.00 0.00 175.02 172.11 2fwu s GLU 522 N 0.06 2.53 -0.13 3.16 8.01 -1.26 -1.62 118.70 129.45 2fwu s GLU 522 Ca -0.06 -0.83 0.00 0.00 0.01 0.00 0.00 54.97 54.09 2fwu s GLU 522 Cb -0.15 -2.53 0.02 0.00 -4.31 0.00 0.00 34.13 27.17 2fwu s GLU 522 CO 0.05 0.55 -0.12 0.08 0.01 0.00 0.00 175.26 175.82 2fwu s VAL 523 N -1.27 1.40 -0.26 2.63 1.01 -0.25 -4.91 120.40 118.74 2fwu s VAL 523 Ca 0.24 -0.53 -0.27 0.00 0.00 0.00 0.00 61.98 61.42 2fwu s VAL 523 Cb -0.12 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.94 2fwu s VAL 523 CO 0.17 0.43 0.96 -0.54 0.00 0.00 0.00 175.10 176.12 2fwu s LYS 524 N 1.46 4.16 -0.11 2.72 -0.14 -1.25 -1.86 119.74 124.72 2fwu s LYS 524 Ca 0.03 1.10 -0.09 0.00 -1.36 0.00 0.00 55.97 55.65 2fwu s LYS 524 Cb -0.13 -3.67 -0.04 0.00 -1.68 0.00 0.00 37.83 32.30 2fwu s LYS 524 CO -0.08 -0.66 0.18 0.08 -0.76 0.00 0.00 175.35 174.11 2fwu s VAL 525 N 3.17 5.42 0.36 3.17 1.01 0.30 -4.49 120.40 129.36 2fwu s VAL 525 Ca 0.41 0.31 -0.24 0.00 0.00 0.00 0.00 61.98 62.46 2fwu s VAL 525 Cb -0.14 -3.46 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 2fwu s VAL 525 CO 0.09 0.60 0.95 -0.76 0.00 0.00 0.00 175.10 175.98 2fwu s LEU 526 N -0.92 4.19 0.48 3.92 2.01 -1.11 -2.73 118.68 124.52 2fwu s LEU 526 Ca 0.16 1.80 -0.05 0.00 0.01 0.00 0.00 54.13 56.05 2fwu s LEU 526 Cb -0.13 -4.20 -0.03 0.00 0.01 0.00 0.00 46.19 41.84 2fwu s LEU 526 CO 0.05 -0.19 0.78 -0.60 1.01 0.00 0.00 176.35 177.40 2fwu s ARG 527 N -2.46 3.52 0.65 1.70 3.52 -1.26 -4.24 118.95 120.38 2fwu s ARG 527 Ca 0.55 0.16 -0.18 0.00 -0.13 0.00 0.00 55.73 56.13 2fwu s ARG 527 Cb -0.16 -2.39 -0.01 0.00 -1.56 0.00 0.00 34.95 30.84 2fwu s ARG 527 CO 0.20 -0.20 1.26 -0.08 -0.81 0.00 0.00 175.30 175.67 2fwu s THR 528 N -2.73 2.22 0.16 4.11 -1.32 -1.17 -4.81 115.64 112.10 2fwu s THR 528 Ca 0.47 0.13 0.29 0.00 -1.21 0.00 0.00 61.69 61.37 2fwu s THR 528 Cb -0.10 -2.99 0.32 0.00 -1.51 0.00 0.00 72.50 68.22 2fwu s THR 528 CO 0.44 -0.03 1.93 -1.28 -2.21 0.00 0.00 174.62 173.47 2fwu h SER 529 N 0.47 0.00 -3.55 8.08 0.87 -1.87 -3.35 113.55 114.20 2fwu h SER 529 Ca -0.50 0.00 -0.61 0.00 -1.23 0.00 0.00 61.79 59.44 2fwu h SER 529 Cb 1.32 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 62.88 2fwu h SER 529 CO 0.53 0.11 -0.73 -0.83 -0.53 0.00 0.00 176.83 175.38 2fwu s GLY 530 N -4.23 1.74 -1.07 5.77 0.00 -1.26 -5.05 107.32 103.22 2fwu s GLY 530 Ca 0.00 -2.65 -0.18 0.00 0.00 0.00 0.00 44.72 41.89 2fwu s GLY 530 CO 0.58 1.50 1.34 0.00 0.00 0.00 0.00 173.10 176.53 2fwu s ALA 531 N 0.29 3.44 -0.32 3.20 0.00 -1.26 -4.70 121.76 122.41 2fwu s ALA 531 Ca 0.18 -2.88 0.02 0.00 0.00 0.00 0.00 51.96 49.28 2fwu s ALA 531 Cb -0.24 -4.22 0.09 0.00 0.00 0.00 0.00 23.12 18.75 2fwu s ALA 531 CO -0.00 -3.06 0.04 1.03 0.00 0.00 0.00 175.76 173.77 2fwu s ARG 532 N 2.92 1.36 0.00 0.00 1.81 -1.26 -4.43 118.95 119.35 2fwu s ARG 532 Ca 0.40 -1.55 0.00 0.00 -1.72 0.00 0.00 55.73 52.86 2fwu s ARG 532 Cb -0.02 -2.82 0.00 0.00 -0.45 0.00 0.00 34.95 31.65 2fwu s ARG 532 CO -0.05 -0.89 0.00 0.41 -0.68 0.00 0.00 175.30 174.09 2fwu n GLY 533 N 4.45 0.23 2.83 -3.53 0.00 -1.26 -4.97 105.19 102.95 2fwu n GLY 533 Ca -0.00 -2.03 -0.16 0.00 0.00 0.00 0.00 46.02 43.82 2fwu n GLY 533 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2fwu s ASN 534 N -4.00 0.33 -0.03 1.61 3.04 -1.26 -1.28 114.94 113.36 2fwu s ASN 534 Ca 0.00 -0.02 0.04 0.00 0.04 0.00 0.00 52.86 52.93 2fwu s ASN 534 Cb 0.00 -0.16 -0.01 0.00 -1.54 0.00 0.00 41.25 39.54 2fwu s ASN 534 CO 0.00 -0.08 -0.16 -0.69 -3.04 0.00 0.00 177.10 173.13 2fwu s VAL 535 N 0.84 1.28 -0.22 -5.21 1.01 0.83 0.05 120.40 118.98 2fwu s VAL 535 Ca -0.08 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.15 2fwu s VAL 535 Cb -0.11 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 2fwu s VAL 535 CO -0.02 0.37 0.10 -0.63 0.00 0.00 0.00 175.10 174.92 2fwu s ILE 536 N -0.14 4.89 -0.31 2.22 -1.09 0.35 -0.27 121.20 126.85 2fwu s ILE 536 Ca 0.01 0.01 0.01 0.00 -2.23 0.00 0.00 60.65 58.45 2fwu s ILE 536 Cb -0.09 -3.25 0.07 0.00 -1.58 0.00 0.00 42.46 37.61 2fwu s ILE 536 CO 0.01 0.39 0.00 -0.69 -1.23 0.00 0.00 174.94 173.42 2fwu s VAL 537 N 0.89 2.65 0.22 2.92 1.01 0.91 -0.49 120.40 128.50 2fwu s VAL 537 Ca 0.05 -1.73 -0.30 0.00 0.00 0.00 0.00 61.98 60.00 2fwu s VAL 537 Cb -0.13 -2.65 -0.08 0.00 0.00 0.00 0.00 36.38 33.51 2fwu s VAL 537 CO 0.03 -0.25 1.08 -2.16 0.00 0.00 0.00 175.10 173.80 2fwu s PRO 538 N 1.13 4.64 0.16 2.72 0.04 -1.26 -0.20 135.00 142.23 2fwu s PRO 538 Ca -0.02 1.72 0.05 0.00 0.04 0.00 0.00 61.00 62.80 2fwu s PRO 538 Cb -0.20 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.05 2fwu s PRO 538 CO -0.04 0.18 -0.10 1.52 0.04 0.00 0.00 177.00 178.59 2fwu s TYR 539 N -0.68 1.36 -0.11 0.56 1.13 0.31 0.07 117.35 119.99 2fwu s TYR 539 Ca 0.47 -0.74 -0.27 0.00 -1.41 0.00 0.00 57.07 55.12 2fwu s TYR 539 Cb -0.30 -0.69 0.06 0.00 -1.10 0.00 0.00 41.96 39.94 2fwu s TYR 539 CO 0.37 0.12 0.63 -1.59 -2.51 0.00 0.00 175.55 172.57 2fwu s LYS 540 N -3.74 0.93 -0.21 -3.49 0.00 -0.60 -1.85 119.74 110.78 2fwu s LYS 540 Ca 0.19 0.41 -0.23 0.00 0.00 0.00 0.00 55.97 56.34 2fwu s LYS 540 Cb 0.02 0.44 -0.02 0.00 0.00 0.00 0.00 37.83 38.27 2fwu s LYS 540 CO 0.02 -0.24 0.74 0.95 0.00 0.00 0.00 175.35 176.82 2fwu s THR 541 N -0.73 4.93 -0.18 3.79 -4.23 -0.33 -2.14 115.64 116.74 2fwu s THR 541 Ca -0.08 1.41 -0.27 0.00 -1.18 0.00 0.00 61.69 61.57 2fwu s THR 541 Cb -0.02 -4.04 -0.01 0.00 1.34 0.00 0.00 72.50 69.77 2fwu s THR 541 CO 0.07 0.03 0.92 -0.63 -0.54 0.00 0.00 174.62 174.47 2fwu s ILE 542 N 2.26 4.80 0.07 2.99 1.09 0.10 -4.83 121.20 127.69 2fwu s ILE 542 Ca 0.33 1.81 -0.22 0.00 -1.10 0.00 0.00 60.65 61.46 2fwu s ILE 542 Cb -0.16 -4.21 -0.13 0.00 -1.06 0.00 0.00 42.46 36.90 2fwu s ILE 542 CO 0.10 -0.05 1.58 -0.33 -0.10 0.00 0.00 174.94 176.15 2fwu h GLU 543 N 7.37 0.16 0.00 2.79 5.08 -1.88 -2.24 114.58 125.86 2fwu h GLU 543 Ca -0.26 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2fwu h GLU 543 Cb 1.11 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2fwu h GLU 543 CO 0.88 0.29 0.00 0.41 -1.00 0.00 0.00 179.01 179.60 2fwu n GLY 544 N -0.61 0.93 0.28 -3.84 0.00 -1.26 -0.48 105.19 100.21 2fwu n GLY 544 Ca -0.06 0.42 0.04 0.00 0.00 0.00 0.00 46.02 46.42 2fwu n GLY 544 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2fwu n THR 545 N 0.00 0.00 -2.88 2.61 5.66 -1.25 -5.02 114.28 113.39 2fwu n THR 545 Ca 0.00 -0.49 -0.20 0.00 -3.05 0.00 0.00 64.05 60.31 2fwu n THR 545 Cb 0.00 1.15 0.06 0.00 -1.55 0.00 0.00 70.33 69.99 2fwu n THR 545 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2fwu s ALA 546 N -0.69 4.36 -0.21 1.79 0.00 0.37 -4.88 121.76 122.50 2fwu s ALA 546 Ca 0.08 -1.91 0.00 0.00 0.00 0.00 0.00 51.96 50.14 2fwu s ALA 546 Cb 0.06 -1.67 0.05 0.00 0.00 0.00 0.00 23.12 21.56 2fwu s ALA 546 CO 0.10 -0.93 -0.05 0.50 0.00 0.00 0.00 175.76 175.38 2fwu s ARG 547 N -4.76 1.53 0.00 0.00 6.06 -1.26 -4.83 118.95 115.69 2fwu s ARG 547 Ca 0.62 -0.79 0.00 0.00 -2.50 0.00 0.00 55.73 53.06 2fwu s ARG 547 Cb -0.07 -2.37 0.00 0.00 0.06 0.00 0.00 34.95 32.58 2fwu s ARG 547 CO 0.40 -0.54 0.00 0.41 -2.50 0.00 0.00 175.30 173.07 2fwu n GLY 548 N 4.77 -1.00 2.44 8.12 0.00 -1.26 -0.64 105.19 117.63 2fwu n GLY 548 Ca -0.12 -1.60 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 2fwu n GLY 548 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fwu n GLY 549 N 4.61 1.12 2.12 -0.02 0.00 -1.21 -1.90 105.19 109.91 2fwu n GLY 549 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 46.02 45.70 2fwu n GLY 549 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fwu n GLY 550 N -1.15 0.46 0.14 -0.02 0.00 -0.02 -4.91 105.19 99.69 2fwu n GLY 550 Ca -0.10 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 2fwu n GLY 550 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2fwu h GLU 551 N 0.73 0.45 0.00 1.61 4.81 -1.47 -3.41 114.58 117.31 2fwu h GLU 551 Ca -0.01 -0.67 0.00 0.00 -0.13 0.00 0.00 59.36 58.55 2fwu h GLU 551 Cb 0.14 0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2fwu h GLU 551 CO 0.01 1.30 -0.21 -3.47 -0.73 0.00 0.00 179.01 175.92 2fwu n ASP 552 N -3.98 1.03 -3.69 1.04 2.03 0.19 -4.82 116.55 108.35 2fwu n ASP 552 Ca -0.14 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.07 2fwu n ASP 552 Cb 0.90 0.20 -0.04 0.00 -0.72 0.00 0.00 41.12 41.46 2fwu n ASP 552 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2fwu s PHE 553 N -0.46 -0.17 -0.43 -0.67 -0.71 0.16 -4.09 117.98 111.61 2fwu s PHE 553 Ca 0.00 -0.15 -0.16 0.00 -1.04 0.00 0.00 56.93 55.57 2fwu s PHE 553 Cb 0.00 0.39 0.03 0.00 -1.21 0.00 0.00 43.02 42.23 2fwu s PHE 553 CO 0.00 -0.88 0.40 -2.00 -1.34 0.00 0.00 175.22 171.40 2fwu s GLU 554 N -3.85 3.04 0.40 1.99 -6.30 -0.52 -0.84 118.70 112.61 2fwu s GLU 554 Ca 0.07 -0.93 -0.23 0.00 -2.50 0.00 0.00 54.97 51.39 2fwu s GLU 554 Cb -0.01 -4.00 -0.10 0.00 0.00 0.00 0.00 34.13 30.03 2fwu s GLU 554 CO -0.05 -0.86 1.00 0.16 0.02 0.00 0.00 175.26 175.53 2fwu s ASP 555 N 1.91 6.88 0.00 -1.70 -4.77 -1.26 -4.12 116.67 113.61 2fwu s ASP 555 Ca 0.09 1.88 0.00 0.00 -3.30 0.00 0.00 52.55 51.22 2fwu s ASP 555 Cb -0.19 -2.57 -0.00 0.00 -1.09 0.00 0.00 42.92 39.07 2fwu s ASP 555 CO 0.11 -0.40 -0.01 0.28 0.70 0.00 0.00 175.17 175.85 2fwu s THR 556 N -1.83 0.07 -0.00 2.11 -1.32 -1.26 -4.80 115.64 108.60 2fwu s THR 556 Ca 0.59 -0.22 -0.08 0.00 -1.21 0.00 0.00 61.69 60.76 2fwu s THR 556 Cb -0.17 -0.10 0.01 0.00 -1.51 0.00 0.00 72.50 70.72 2fwu s THR 556 CO 0.22 -0.10 0.17 0.00 -2.21 0.00 0.00 174.62 172.69 2fwu n GLY 558 N 1.47 -1.08 3.01 0.00 0.00 -0.77 -4.99 105.19 102.84 2fwu n GLY 558 Ca -0.22 -0.89 -0.28 0.00 0.00 0.00 0.00 46.02 44.63 2fwu n GLY 558 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fwu s GLU 559 N -0.65 1.98 -0.01 1.61 2.02 -1.26 -0.53 118.70 121.86 2fwu s GLU 559 Ca 0.00 -0.47 -0.10 0.00 0.02 0.00 0.00 54.97 54.42 2fwu s GLU 559 Cb 0.00 -1.75 -0.05 0.00 0.10 0.00 0.00 34.13 32.43 2fwu s GLU 559 CO 0.00 -0.11 0.31 -0.51 0.02 0.00 0.00 175.26 174.98 2fwu s LEU 560 N 1.12 4.41 -0.24 1.80 1.43 0.72 -4.89 118.68 123.04 2fwu s LEU 560 Ca -0.05 0.72 -0.01 0.00 -1.03 0.00 0.00 54.13 53.77 2fwu s LEU 560 Cb -0.14 -2.56 0.02 0.00 0.03 0.00 0.00 46.19 43.54 2fwu s LEU 560 CO -0.03 0.30 -0.08 -0.70 0.23 0.00 0.00 176.35 176.07 2fwu s GLU 561 N -1.39 2.86 -0.09 1.70 2.12 -1.26 -0.06 118.70 122.58 2fwu s GLU 561 Ca 0.24 -0.95 -0.05 0.00 0.36 0.00 0.00 54.97 54.57 2fwu s GLU 561 Cb -0.14 -2.93 -0.04 0.00 0.26 0.00 0.00 34.13 31.28 2fwu s GLU 561 CO 0.13 -0.37 0.10 -0.06 -0.54 0.00 0.00 175.26 174.52 2fwu s PHE 562 N 1.32 3.46 0.44 5.30 0.08 0.63 -4.96 117.98 124.25 2fwu s PHE 562 Ca 0.01 0.41 0.00 0.00 0.12 0.00 0.00 56.93 57.47 2fwu s PHE 562 Cb -0.16 -1.88 0.00 0.00 -0.57 0.00 0.00 43.02 40.41 2fwu s PHE 562 CO -0.05 0.65 0.01 1.04 -0.10 0.00 0.00 175.22 176.77 2fwu n GLN 563 N 1.87 0.94 0.06 0.44 6.02 -1.20 -0.12 117.38 125.39 2fwu n GLN 563 Ca -0.18 -3.17 -0.10 0.00 -0.01 0.00 0.00 57.00 53.53 2fwu n GLN 563 Cb 0.54 0.83 0.01 0.00 1.02 0.00 0.00 30.24 32.64 2fwu n GLN 563 CO 0.00 0.00 0.00 -2.95 -1.01 0.00 0.00 177.06 173.10 2fwu h ASN 564 N 1.03 0.44 0.05 1.08 -1.07 -1.40 -3.34 115.58 112.38 2fwu h ASN 564 Ca -0.36 -0.32 -0.36 0.00 0.07 0.00 0.00 56.30 55.33 2fwu h ASN 564 Cb 1.09 -0.13 -0.04 0.00 -2.07 0.00 0.00 38.32 37.17 2fwu h ASN 564 CO 0.60 1.08 -2.05 -0.67 0.07 0.00 0.00 177.43 176.45 2fwu n ASP 565 N -3.79 2.01 -4.68 6.14 2.03 -1.26 -4.82 116.55 112.18 2fwu n ASP 565 Ca -0.05 0.18 -0.42 0.00 0.52 0.00 0.00 54.79 55.02 2fwu n ASP 565 Cb 0.75 -0.76 -0.03 0.00 -0.72 0.00 0.00 41.12 40.36 2fwu n ASP 565 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2fwu s GLU 566 N -2.50 4.26 0.35 -0.67 2.12 -1.26 -5.01 118.70 115.99 2fwu s GLU 566 Ca -0.29 1.94 0.07 0.00 0.36 0.00 0.00 54.97 57.05 2fwu s GLU 566 Cb 0.08 -3.68 -0.02 0.00 0.26 0.00 0.00 34.13 30.77 2fwu s GLU 566 CO 0.65 -0.64 0.35 0.96 -0.54 0.00 0.00 175.26 176.04 2fwu s ILE 567 N 2.89 3.49 0.24 -3.70 -4.36 -1.26 -3.25 121.20 115.25 2fwu s ILE 567 Ca 0.64 -1.28 0.00 0.00 -0.26 0.00 0.00 60.65 59.75 2fwu s ILE 567 Cb -0.30 -3.19 0.00 0.00 1.25 0.00 0.00 42.46 40.22 2fwu s ILE 567 CO 0.25 -0.14 0.00 0.55 0.24 0.00 0.00 174.94 175.84 2fwu n VAL 568 N -1.47 -0.37 -4.09 8.37 3.14 -1.26 -5.01 118.33 117.63 2fwu n VAL 568 Ca -0.00 0.37 -0.10 0.00 -2.96 0.00 0.00 64.34 61.65 2fwu n VAL 568 Cb 0.60 -0.55 -0.09 0.00 -1.06 0.00 0.00 33.84 32.73 2fwu n VAL 568 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2fwu s LYS 569 N -4.77 1.05 -0.03 1.45 -0.14 -1.10 -4.94 119.74 111.25 2fwu s LYS 569 Ca 0.00 -1.38 -0.00 0.00 -1.36 0.00 0.00 55.97 53.23 2fwu s LYS 569 Cb 0.00 0.29 0.03 0.00 -1.68 0.00 0.00 37.83 36.47 2fwu s LYS 569 CO 0.00 -0.34 0.02 0.95 -0.76 0.00 0.00 175.35 175.22 2fwu s THR 570 N -4.04 0.08 -0.25 2.17 -4.23 -1.24 -0.53 115.64 107.60 2fwu s THR 570 Ca 0.24 0.19 -0.14 0.00 -1.18 0.00 0.00 61.69 60.79 2fwu s THR 570 Cb 0.06 -0.22 -0.04 0.00 1.34 0.00 0.00 72.50 73.64 2fwu s THR 570 CO 0.03 0.15 0.34 -0.63 -0.54 0.00 0.00 174.62 173.97 2fwu s ILE 571 N 1.33 5.21 -0.20 2.99 1.09 -0.78 -4.85 121.20 126.00 2fwu s ILE 571 Ca -0.06 0.54 -0.06 0.00 -1.10 0.00 0.00 60.65 59.98 2fwu s ILE 571 Cb -0.13 -3.67 -0.03 0.00 -1.06 0.00 0.00 42.46 37.57 2fwu s ILE 571 CO -0.03 0.21 0.02 -0.44 -0.10 0.00 0.00 174.94 174.60 2fwu s SER 572 N 1.41 5.01 -0.02 3.58 0.01 -1.26 -1.09 113.70 121.34 2fwu s SER 572 Ca 0.15 -0.15 0.06 0.00 1.31 0.00 0.00 55.95 57.32 2fwu s SER 572 Cb -0.15 -1.86 -0.01 0.00 0.21 0.00 0.00 66.02 64.20 2fwu s SER 572 CO 0.09 0.07 -0.20 -0.69 0.41 0.00 0.00 173.24 172.92 2fwu s VAL 573 N 0.96 1.57 -0.16 3.43 1.01 -0.64 -4.95 120.40 121.62 2fwu s VAL 573 Ca 0.02 -0.84 -0.14 0.00 0.00 0.00 0.00 61.98 61.01 2fwu s VAL 573 Cb -0.14 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 2fwu s VAL 573 CO 0.02 0.44 0.31 -0.75 0.00 0.00 0.00 175.10 175.13 2fwu s LYS 574 N -0.41 4.27 -0.03 2.72 2.20 -1.26 -1.58 119.74 125.65 2fwu s LYS 574 Ca 0.06 0.13 -0.14 0.00 -0.36 0.00 0.00 55.97 55.67 2fwu s LYS 574 Cb -0.08 -3.43 -0.05 0.00 -1.51 0.00 0.00 37.83 32.76 2fwu s LYS 574 CO -0.00 0.22 0.38 0.08 -0.36 0.00 0.00 175.35 175.67 2fwu s VAL 575 N 0.50 5.11 -0.03 4.02 1.01 0.27 -1.44 120.40 129.84 2fwu s VAL 575 Ca 0.17 0.76 -0.01 0.00 0.00 0.00 0.00 61.98 62.90 2fwu s VAL 575 Cb -0.13 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2fwu s VAL 575 CO 0.04 0.56 0.07 -0.63 0.00 0.00 0.00 175.10 175.14 2fwu s ILE 576 N -0.87 4.69 0.20 2.22 -1.09 -1.26 -4.75 121.20 120.35 2fwu s ILE 576 Ca 0.22 -0.34 -0.32 0.00 -2.23 0.00 0.00 60.65 57.98 2fwu s ILE 576 Cb -0.16 -3.11 -0.12 0.00 -1.58 0.00 0.00 42.46 37.49 2fwu s ILE 576 CO 0.12 0.42 1.71 -0.90 -1.23 0.00 0.00 174.94 175.05 2fwu n ASP 577 N 1.43 3.87 -4.64 3.58 5.75 -1.26 -4.84 116.55 120.43 2fwu n ASP 577 Ca -0.15 1.06 -0.43 0.00 -0.01 0.00 0.00 54.79 55.26 2fwu n ASP 577 Cb 0.53 -1.55 -0.02 0.00 -1.03 0.00 0.00 41.12 39.05 2fwu n ASP 577 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2fwu s ASP 578 N 1.21 6.89 0.32 -1.12 -1.08 -1.26 -4.90 116.67 116.73 2fwu s ASP 578 Ca 0.76 1.27 0.26 0.00 -0.52 0.00 0.00 52.55 54.32 2fwu s ASP 578 Cb -0.53 -2.54 0.78 0.00 -1.46 0.00 0.00 42.92 39.17 2fwu s ASP 578 CO 0.33 -0.87 1.75 1.05 0.52 0.00 0.00 175.17 177.94 2fwu h GLU 579 N 8.32 0.00 0.00 4.34 -0.00 -1.89 -3.45 114.58 121.90 2fwu h GLU 579 Ca -0.23 0.00 -0.31 0.00 -0.00 0.00 0.00 59.36 58.82 2fwu h GLU 579 Cb 1.08 0.00 -0.08 0.00 -0.00 0.00 0.00 28.75 29.75 2fwu h GLU 579 CO 1.01 0.00 -0.29 -0.85 -0.00 0.00 0.00 179.01 178.88 2fwu n GLU 580 N -2.59 0.31 -3.08 1.06 0.00 -1.26 -5.14 120.64 109.94 2fwu n GLU 580 Ca 0.04 -2.25 -0.31 0.00 0.00 0.00 0.00 57.16 54.64 2fwu n GLU 580 Cb 0.41 1.89 -0.05 0.00 0.00 0.00 0.00 31.44 33.69 2fwu n GLU 580 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.13 178.65 2fwu s TYR 581 N -3.02 3.43 0.35 -1.84 1.13 -1.26 -5.07 117.35 111.06 2fwu s TYR 581 Ca 0.26 1.05 0.04 0.00 -1.41 0.00 0.00 57.07 57.02 2fwu s TYR 581 Cb 0.01 -2.42 -0.03 0.00 -1.10 0.00 0.00 41.96 38.41 2fwu s TYR 581 CO 0.19 0.05 0.14 -1.83 -2.51 0.00 0.00 175.55 171.59 2fwu s GLU 582 N -3.34 1.76 0.00 -3.49 -1.05 -1.26 -5.15 118.70 106.17 2fwu s GLU 582 Ca 0.51 -2.03 0.00 0.00 -0.15 0.00 0.00 54.97 53.30 2fwu s GLU 582 Cb -0.10 -0.37 0.00 0.00 -0.44 0.00 0.00 34.13 33.22 2fwu s GLU 582 CO 0.24 -0.45 0.00 1.63 0.95 0.00 0.00 175.26 177.63 2fwu n LYS 583 N -0.74 1.82 -2.30 -4.83 5.02 -1.26 -4.96 118.16 110.91 2fwu n LYS 583 Ca -0.02 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.93 2fwu n LYS 583 Cb 0.65 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.62 2fwu n LYS 583 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2fwu s ASN 584 N -1.00 5.81 0.32 4.39 0.01 -1.26 -4.87 114.94 118.34 2fwu s ASN 584 Ca 0.00 -1.14 -0.26 0.00 -0.71 0.00 0.00 52.86 50.75 2fwu s ASN 584 Cb 0.00 -2.57 -0.10 0.00 0.41 0.00 0.00 41.25 39.00 2fwu s ASN 584 CO 0.00 -2.15 0.97 -0.75 -1.51 0.00 0.00 177.10 173.66 2fwu s LYS 585 N 5.97 4.57 -0.06 -0.60 2.36 -1.22 -4.84 119.74 125.92 2fwu s LYS 585 Ca 0.59 1.40 -0.07 0.00 -2.55 0.00 0.00 55.97 55.34 2fwu s LYS 585 Cb -0.03 -2.85 0.02 0.00 -1.05 0.00 0.00 37.83 33.92 2fwu s LYS 585 CO -0.04 0.25 0.18 -0.08 1.55 0.00 0.00 175.35 177.21 2fwu s THR 586 N -1.54 0.01 0.05 3.43 -1.32 -1.26 -0.50 115.64 114.50 2fwu s THR 586 Ca 0.50 -0.11 0.08 0.00 -1.21 0.00 0.00 61.69 60.95 2fwu s THR 586 Cb -0.21 -0.29 -0.03 0.00 -1.51 0.00 0.00 72.50 70.46 2fwu s THR 586 CO 0.26 -0.06 -0.24 0.72 -2.21 0.00 0.00 174.62 173.10 2fwu s PHE 587 N -0.14 2.08 -0.19 9.09 -0.12 -0.92 -3.88 117.98 123.90 2fwu s PHE 587 Ca -0.02 -0.39 -0.07 0.00 -0.05 0.00 0.00 56.93 56.39 2fwu s PHE 587 Cb -0.02 -1.24 -0.04 0.00 -0.63 0.00 0.00 43.02 41.09 2fwu s PHE 587 CO 0.01 0.11 0.05 -0.06 -0.05 0.00 0.00 175.22 175.28 2fwu s PHE 588 N -0.80 3.19 -0.22 3.49 0.08 -0.84 -1.32 117.98 121.56 2fwu s PHE 588 Ca 0.10 -0.05 -0.12 0.00 0.12 0.00 0.00 56.93 56.98 2fwu s PHE 588 Cb -0.09 -2.10 -0.05 0.00 -0.57 0.00 0.00 43.02 40.21 2fwu s PHE 588 CO 0.02 0.04 0.22 -1.17 -0.10 0.00 0.00 175.22 174.23 2fwu s LEU 589 N 0.59 4.15 -0.05 -0.37 1.98 0.16 0.03 118.68 125.17 2fwu s LEU 589 Ca 0.03 0.25 0.03 0.00 -2.89 0.00 0.00 54.13 51.54 2fwu s LEU 589 Cb -0.13 -2.21 0.01 0.00 0.66 0.00 0.00 46.19 44.51 2fwu s LEU 589 CO 0.01 0.05 -0.13 -0.70 -1.89 0.00 0.00 176.35 173.69 2fwu s GLU 590 N 0.98 1.60 -0.19 1.98 2.12 -0.91 -1.35 118.70 122.94 2fwu s GLU 590 Ca 0.11 -0.46 -0.13 0.00 0.36 0.00 0.00 54.97 54.85 2fwu s GLU 590 Cb -0.13 -1.37 -0.05 0.00 0.26 0.00 0.00 34.13 32.84 2fwu s GLU 590 CO 0.04 0.11 0.25 0.96 -0.54 0.00 0.00 175.26 176.09 2fwu s ILE 591 N 0.38 5.32 0.00 -3.70 -4.36 -1.26 -1.56 121.20 116.02 2fwu s ILE 591 Ca -0.09 0.44 0.00 0.00 -0.26 0.00 0.00 60.65 60.74 2fwu s ILE 591 Cb -0.13 -3.59 0.00 0.00 1.25 0.00 0.00 42.46 39.99 2fwu s ILE 591 CO 0.03 0.38 0.00 0.61 0.24 0.00 0.00 174.94 176.19 2fwu n GLY 592 N 3.62 1.25 3.61 6.27 0.00 0.11 -4.94 105.19 115.10 2fwu n GLY 592 Ca -0.13 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 2fwu n GLY 592 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2fwu s GLU 593 N 1.82 3.85 0.44 1.61 2.12 -1.26 -4.82 118.70 122.46 2fwu s GLU 593 Ca 0.00 0.76 -0.21 0.00 0.36 0.00 0.00 54.97 55.88 2fwu s GLU 593 Cb 0.00 -3.85 -0.10 0.00 0.26 0.00 0.00 34.13 30.44 2fwu s GLU 593 CO 0.00 -1.21 0.98 -1.25 -0.54 0.00 0.00 175.26 173.23 2fwu s PRO 594 N 4.18 4.13 -0.05 4.30 0.04 -1.26 -4.45 135.00 141.89 2fwu s PRO 594 Ca 0.47 1.20 0.03 0.00 0.04 0.00 0.00 61.00 62.74 2fwu s PRO 594 Cb -0.09 -2.19 0.01 0.00 0.04 0.00 0.00 34.50 32.27 2fwu s PRO 594 CO 0.26 -0.13 -0.12 -0.98 0.04 0.00 0.00 177.00 176.07 2fwu s ARG 595 N -3.13 1.49 -0.06 4.56 1.70 0.36 -4.36 118.95 119.50 2fwu s ARG 595 Ca 0.63 -0.42 -0.30 0.00 -0.47 0.00 0.00 55.73 55.17 2fwu s ARG 595 Cb -0.12 -1.28 -0.03 0.00 -0.57 0.00 0.00 34.95 32.95 2fwu s ARG 595 CO 0.16 0.10 1.13 -1.17 -1.08 0.00 0.00 175.30 174.43 2fwu s LEU 596 N 0.40 4.28 0.27 -1.89 1.98 -1.26 -0.49 118.68 121.96 2fwu s LEU 596 Ca -0.09 1.73 0.07 0.00 -2.89 0.00 0.00 54.13 52.95 2fwu s LEU 596 Cb -0.13 -3.56 0.37 0.00 0.66 0.00 0.00 46.19 43.53 2fwu s LEU 596 CO 0.02 -0.52 1.63 0.58 -1.89 0.00 0.00 176.35 176.17 2fwu h VAL 597 N 5.00 1.38 -3.34 1.68 2.07 -0.74 -3.43 116.25 118.87 2fwu h VAL 597 Ca -0.34 -1.86 -0.51 0.00 0.82 0.00 0.00 66.70 64.82 2fwu h VAL 597 Cb 1.16 1.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.88 2fwu h VAL 597 CO 0.86 0.54 -0.06 -1.61 0.02 0.00 0.00 177.57 177.33 2fwu s GLU 598 N -3.84 3.66 0.24 1.57 0.41 -1.25 -4.98 118.70 114.50 2fwu s GLU 598 Ca -0.03 0.12 0.22 0.00 -0.41 0.00 0.00 54.97 54.87 2fwu s GLU 598 Cb 0.13 -2.56 0.05 0.00 -1.78 0.00 0.00 34.13 29.97 2fwu s GLU 598 CO 0.78 0.11 1.14 0.52 -0.49 0.00 0.00 175.26 177.32 2fwu h MET 599 N 1.40 0.00 -6.15 1.61 2.86 -1.97 -3.47 114.93 109.21 2fwu h MET 599 Ca -0.48 0.00 -0.69 0.00 -2.06 0.00 0.00 59.70 56.47 2fwu h MET 599 Cb 1.19 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.86 2fwu h MET 599 CO 0.65 0.05 1.06 0.43 1.06 0.00 0.00 176.91 180.16 2fwu n SER 600 N -2.81 2.62 -3.89 1.22 7.64 -1.26 -4.96 113.62 112.18 2fwu n SER 600 Ca -0.00 0.92 -0.11 0.00 1.01 0.00 0.00 58.87 60.69 2fwu n SER 600 Cb 0.59 -1.22 -0.12 0.00 -1.01 0.00 0.00 64.21 62.44 2fwu n SER 600 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2fwu s GLU 601 N 4.23 0.20 -0.95 1.43 -1.05 -1.26 -5.01 118.70 116.29 2fwu s GLU 601 Ca 0.99 -0.18 -0.19 0.00 -0.15 0.00 0.00 54.97 55.44 2fwu s GLU 601 Cb -0.94 0.08 0.12 0.00 -0.44 0.00 0.00 34.13 32.96 2fwu s GLU 601 CO 0.59 -0.04 1.18 0.21 0.95 0.00 0.00 175.26 178.15 2fwu s LYS 602 N -0.60 3.62 0.88 -4.83 2.20 -1.26 -5.00 119.74 114.75 2fwu s LYS 602 Ca -0.07 -1.72 -0.13 0.00 -0.36 0.00 0.00 55.97 53.69 2fwu s LYS 602 Cb -0.04 -4.98 0.04 0.00 -1.51 0.00 0.00 37.83 31.35 2fwu s LYS 602 CO 0.00 -1.82 0.66 0.36 -0.36 0.00 0.00 175.35 174.19 2fwu n LYS 603 N 6.79 -0.12 -1.78 4.03 2.85 -1.26 -4.78 118.16 123.89 2fwu n LYS 603 Ca 0.26 0.02 -0.38 0.00 -1.05 0.00 0.00 58.31 57.16 2fwu n LYS 603 Cb 0.49 -2.02 -0.02 0.00 -0.65 0.00 0.00 35.03 32.83 2fwu n LYS 603 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2fwu n GLY 604 N 1.21 4.88 4.13 2.58 0.00 -1.26 -4.81 105.19 111.92 2fwu n GLY 604 Ca 0.09 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.21 2fwu n GLY 604 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fwu n GLY 605 N 2.04 2.19 3.44 -0.02 0.00 -1.26 -4.66 105.19 106.92 2fwu n GLY 605 Ca 0.64 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.43 2fwu n GLY 605 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2fwu s PHE 606 N 0.00 -0.75 -0.21 1.61 5.36 -1.26 -5.14 117.98 117.58 2fwu s PHE 606 Ca 0.00 1.61 -0.06 0.00 -0.96 0.00 0.00 56.93 57.52 2fwu s PHE 606 Cb 0.00 0.37 -0.03 0.00 -0.34 0.00 0.00 43.02 43.03 2fwu s PHE 606 CO 0.00 -0.39 0.02 0.95 -1.46 0.00 0.00 175.22 174.34 2fwu s THR 607 N 1.20 4.06 0.06 0.12 -4.23 -1.26 -4.95 115.64 110.64 2fwu s THR 607 Ca -0.07 -0.27 0.11 0.00 -1.18 0.00 0.00 61.69 60.28 2fwu s THR 607 Cb -0.06 -2.86 -0.08 0.00 1.34 0.00 0.00 72.50 70.85 2fwu s THR 607 CO -0.12 0.40 1.41 0.40 -0.54 0.00 0.00 174.62 176.18 2fwu h ILE 608 N 5.42 1.36 -3.24 2.99 2.04 -2.00 -3.39 117.51 120.69 2fwu h ILE 608 Ca -0.37 -2.74 -0.75 0.00 1.00 0.00 0.00 64.86 62.00 2fwu h ILE 608 Cb 1.18 2.55 -0.23 0.00 -0.74 0.00 0.00 36.82 39.58 2fwu h ILE 608 CO 0.61 0.74 0.31 -0.89 0.00 0.00 0.00 178.15 178.91 2fwu s THR 609 N -2.98 5.23 -1.50 -0.27 2.01 -1.26 -4.74 115.64 112.13 2fwu s THR 609 Ca 0.01 -1.97 0.29 0.00 0.31 0.00 0.00 61.69 60.33 2fwu s THR 609 Cb 0.10 -4.56 0.40 0.00 0.01 0.00 0.00 72.50 68.44 2fwu s THR 609 CO 0.78 -1.18 1.84 -0.62 -0.69 0.00 0.00 174.62 174.75 2fwu n GLU 610 N 5.12 0.53 -2.29 4.92 1.02 -1.26 -4.67 120.64 124.01 2fwu n GLU 610 Ca 0.13 -0.17 -0.33 0.00 -0.02 0.00 0.00 57.16 56.77 2fwu n GLU 610 Cb 0.47 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.35 2fwu n GLU 610 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2fwu s GLU 611 N -2.59 3.04 -1.08 3.49 2.02 -1.26 -4.88 118.70 117.44 2fwu s GLU 611 Ca 0.26 -0.74 -0.14 0.00 0.02 0.00 0.00 54.97 54.37 2fwu s GLU 611 Cb 0.20 -5.21 0.20 0.00 0.10 0.00 0.00 34.13 29.41 2fwu s GLU 611 CO 0.50 -2.87 1.21 0.71 0.02 0.00 0.00 175.26 174.84 2fwu s TYR 612 N 7.75 3.66 -0.73 1.61 2.02 -1.26 -4.84 117.35 125.55 2fwu s TYR 612 Ca 0.59 -2.12 0.04 0.00 -0.37 0.00 0.00 57.07 55.21 2fwu s TYR 612 Cb -0.03 -4.13 0.25 0.00 -0.40 0.00 0.00 41.96 37.65 2fwu s TYR 612 CO -0.04 -1.25 0.86 -3.47 -1.57 0.00 0.00 175.55 170.08 2fwu n ASP 613 N 4.87 4.19 -3.51 2.29 -0.08 -1.26 -4.95 116.55 118.10 2fwu n ASP 613 Ca 0.28 -3.41 -0.29 0.00 -1.51 0.00 0.00 54.79 49.86 2fwu n ASP 613 Cb 0.44 -0.80 -0.13 0.00 2.34 0.00 0.00 41.12 42.97 2fwu n ASP 613 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2fwu s ASP 614 N -2.19 3.24 -0.64 1.67 1.01 -1.26 -5.00 116.67 113.50 2fwu s ASP 614 Ca 0.37 -1.91 0.05 0.00 0.71 0.00 0.00 52.55 51.76 2fwu s ASP 614 Cb 0.11 -0.45 0.16 0.00 1.01 0.00 0.00 42.92 43.75 2fwu s ASP 614 CO -0.01 -0.35 0.43 -0.54 0.21 0.00 0.00 175.17 174.91 2fwu s LYS 615 N 1.37 2.25 0.26 8.23 -0.14 -1.26 -5.05 119.74 125.39 2fwu s LYS 615 Ca 0.15 -3.09 0.02 0.00 -1.36 0.00 0.00 55.97 51.69 2fwu s LYS 615 Cb -0.21 -3.27 -0.04 0.00 -1.68 0.00 0.00 37.83 32.64 2fwu s LYS 615 CO -0.12 -1.25 0.18 -0.65 -0.76 0.00 0.00 175.35 172.75 2fwu s GLN 616 N -1.08 1.43 1.12 1.68 -0.21 -1.26 -5.15 119.66 116.19 2fwu s GLN 616 Ca 0.23 -1.79 -0.14 0.00 0.02 0.00 0.00 55.36 53.68 2fwu s GLN 616 Cb -0.09 0.23 0.25 0.00 1.00 0.00 0.00 33.01 34.39 2fwu s GLN 616 CO -0.13 -0.48 1.06 -2.14 -2.12 0.00 0.00 175.29 171.49 2fwu s PRO 617 N -3.88 -0.52 -0.11 2.91 0.02 -1.26 -4.81 135.00 127.35 2fwu s PRO 617 Ca 0.39 0.50 -0.30 0.00 0.02 0.00 0.00 61.00 61.62 2fwu s PRO 617 Cb 0.05 -1.63 -0.03 0.00 0.02 0.00 0.00 34.50 32.91 2fwu s PRO 617 CO 0.18 -3.37 1.37 -0.51 -0.33 0.00 0.00 177.00 174.34 2fwu s LEU 618 N -6.89 4.24 -0.19 -5.54 2.01 -1.26 -4.97 118.68 106.09 2fwu s LEU 618 Ca 0.67 1.89 -0.20 0.00 0.01 0.00 0.00 54.13 56.51 2fwu s LEU 618 Cb -0.20 -3.54 0.05 0.00 0.01 0.00 0.00 46.19 42.52 2fwu s LEU 618 CO 0.60 -0.78 0.55 0.28 1.01 0.00 0.00 176.35 178.01 2fwu s THR 619 N 3.36 0.00 -0.18 5.49 -1.32 -1.26 -5.13 115.64 116.60 2fwu s THR 619 Ca 0.61 -0.02 -0.04 0.00 -1.21 0.00 0.00 61.69 61.02 2fwu s THR 619 Cb -0.26 -0.78 0.09 0.00 -1.51 0.00 0.00 72.50 70.04 2fwu s THR 619 CO 0.20 -0.01 0.26 -0.94 -2.21 0.00 0.00 174.62 171.92 2fwu s SER 620 N 0.12 0.86 0.00 8.08 1.04 -1.26 -5.02 113.70 117.52 2fwu s SER 620 Ca -0.01 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.53 2fwu s SER 620 Cb -0.04 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2fwu s SER 620 CO 0.02 -0.29 0.00 0.29 0.98 0.00 0.00 173.24 174.23 2fwu n LYS 621 N 5.34 0.00 0.00 4.02 4.01 -1.26 -4.40 118.16 125.86 2fwu n LYS 621 Ca -0.05 0.30 0.12 0.00 -0.51 0.00 0.00 58.31 58.17 2fwu n LYS 621 Cb 0.50 -0.78 0.22 0.00 -0.51 0.00 0.00 35.03 34.45 2fwu n LYS 621 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2fwu n GLU 622 N -1.99 0.42 0.00 1.97 1.02 -1.26 -4.95 120.64 115.85 2fwu n GLU 622 Ca 0.00 -0.28 0.00 0.00 -0.02 0.00 0.00 57.16 56.86 2fwu n GLU 622 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 2fwu n GLU 622 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2fwu n GLU 623 N -1.04 0.00 -0.05 3.49 0.28 -1.26 -4.75 120.64 117.30 2fwu n GLU 623 Ca 0.08 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 57.07 2fwu n GLU 623 Cb 0.35 -0.54 -0.01 0.00 1.43 0.00 0.00 31.44 32.67 2fwu n GLU 623 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2fwu n GLU 624 N 0.00 -0.05 -0.07 3.44 2.13 -1.26 0.84 120.64 125.66 2fwu n GLU 624 Ca 0.00 1.04 -0.07 0.00 0.66 0.00 0.00 57.16 58.79 2fwu n GLU 624 Cb 0.00 -1.56 0.10 0.00 0.27 0.00 0.00 31.44 30.25 2fwu n GLU 624 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2fwu h GLU 625 N 0.00 0.74 -0.19 5.31 4.57 -2.01 -2.83 114.58 120.16 2fwu h GLU 625 Ca 0.02 -0.30 -0.01 0.00 -1.18 0.00 0.00 59.36 57.89 2fwu h GLU 625 Cb 0.05 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 2fwu h GLU 625 CO -0.11 0.90 0.07 -0.09 -1.18 0.00 0.00 179.01 178.60 2fwu h ARG 626 N 0.64 0.29 0.00 1.92 1.12 -1.69 -2.76 114.38 113.91 2fwu h ARG 626 Ca 0.09 -0.06 -0.01 0.00 -1.11 0.00 0.00 59.98 58.90 2fwu h ARG 626 Cb 0.73 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.65 2fwu h ARG 626 CO 0.06 0.37 -0.03 -0.09 -3.11 0.00 0.00 179.97 177.16 2fwu h ARG 627 N 0.16 0.00 -0.44 0.20 2.43 0.59 0.19 114.38 117.50 2fwu h ARG 627 Ca 0.06 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 2fwu h ARG 627 Cb 0.19 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 2fwu h ARG 627 CO -0.00 0.03 -0.05 0.82 -1.51 0.00 0.00 179.97 179.26 2fwu h ILE 628 N 0.00 1.25 0.00 1.20 2.04 -1.25 -0.16 117.51 120.59 2fwu h ILE 628 Ca -0.00 -1.06 -0.18 0.00 1.00 0.00 0.00 64.86 64.62 2fwu h ILE 628 Cb 0.06 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 2fwu h ILE 628 CO 0.00 0.37 -0.84 0.00 0.00 0.00 0.00 178.15 177.68 2fwu h ALA 629 N 1.24 0.54 0.00 1.87 0.00 -0.68 -2.95 119.26 119.29 2fwu h ALA 629 Ca 0.13 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2fwu h ALA 629 Cb 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2fwu h ALA 629 CO 0.03 1.06 0.00 0.39 0.00 0.00 0.00 179.25 180.72 2fwu n GLU 630 N -3.44 0.59 0.03 0.00 -0.58 0.31 -0.13 120.64 117.41 2fwu n GLU 630 Ca -0.00 0.02 0.11 0.00 -0.42 0.00 0.00 57.16 56.87 2fwu n GLU 630 Cb 0.83 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 30.18 2fwu n GLU 630 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 2fwu n MET 631 N -1.15 0.37 -0.12 3.49 1.56 -0.14 -3.88 117.12 117.25 2fwu n MET 631 Ca 0.16 -0.02 -0.17 0.00 -0.27 0.00 0.00 57.70 57.40 2fwu n MET 631 Cb 0.15 -1.60 -0.12 0.00 2.15 0.00 0.00 33.22 33.80 2fwu n MET 631 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2fwu n GLY 632 N 1.34 -0.41 3.85 -5.12 0.00 -0.30 -3.69 105.19 100.86 2fwu n GLY 632 Ca 0.01 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 2fwu n GLY 632 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fwu s ARG 633 N -2.50 3.86 0.54 1.61 0.52 0.82 -4.77 118.95 119.03 2fwu s ARG 633 Ca -0.32 0.32 -0.17 0.00 -0.52 0.00 0.00 55.73 55.04 2fwu s ARG 633 Cb 0.09 -3.03 -0.06 0.00 0.52 0.00 0.00 34.95 32.47 2fwu s ARG 633 CO 0.61 0.56 1.03 -1.25 0.02 0.00 0.00 175.30 176.27 2fwu s PRO 634 N -1.75 3.62 0.18 3.54 0.04 -1.26 -4.40 135.00 134.97 2fwu s PRO 634 Ca 0.33 1.16 0.04 0.00 0.04 0.00 0.00 61.00 62.57 2fwu s PRO 634 Cb -0.15 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.30 2fwu s PRO 634 CO 0.17 -0.56 0.14 0.44 0.04 0.00 0.00 177.00 177.24 2fwu n ILE 635 N -1.64 0.00 -2.78 0.56 -6.64 0.47 -4.34 119.36 105.00 2fwu n ILE 635 Ca 0.08 -1.31 -0.36 0.00 -1.77 0.00 0.00 62.75 59.39 2fwu n ILE 635 Cb 0.53 0.64 -0.06 0.00 -1.44 0.00 0.00 39.64 39.30 2fwu n ILE 635 CO 0.00 0.00 0.00 -1.48 -1.77 0.00 0.00 176.55 173.30 2fwu s LEU 636 N 0.00 4.21 0.00 7.28 -0.00 -1.26 -2.49 118.68 126.42 2fwu s LEU 636 Ca 0.20 1.81 0.00 0.00 -0.00 0.00 0.00 54.13 56.14 2fwu s LEU 636 Cb 0.01 -4.18 0.00 0.00 -0.00 0.00 0.00 46.19 42.02 2fwu s LEU 636 CO 0.14 -0.18 0.00 0.61 -0.00 0.00 0.00 176.35 176.93 2fwu n GLY 637 N 0.20 1.57 0.03 -3.48 0.00 0.10 -4.65 105.19 98.96 2fwu n GLY 637 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 2fwu n GLY 637 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2fwu n GLU 638 N 0.00 0.20 -3.85 1.61 4.07 -1.26 -4.93 120.64 116.48 2fwu n GLU 638 Ca 0.00 0.24 -0.28 0.00 -0.06 0.00 0.00 57.16 57.06 2fwu n GLU 638 Cb 0.00 -1.03 -0.16 0.00 -0.06 0.00 0.00 31.44 30.19 2fwu n GLU 638 CO 0.00 0.00 0.00 -3.38 -0.06 0.00 0.00 177.13 173.69 2fwu s HIS 639 N -1.65 1.52 -0.76 4.31 -3.43 -1.26 -5.04 115.29 108.99 2fwu s HIS 639 Ca -0.09 -1.01 -0.10 0.00 -0.80 0.00 0.00 55.06 53.06 2fwu s HIS 639 Cb 0.01 -1.23 0.20 0.00 -1.43 0.00 0.00 32.58 30.13 2fwu s HIS 639 CO 0.13 -0.60 0.66 0.95 -2.00 0.00 0.00 174.74 173.87 2fwu s THR 640 N 1.69 4.90 -0.30 -5.38 -4.23 -1.26 -2.48 115.64 108.59 2fwu s THR 640 Ca 0.00 -2.71 -0.17 0.00 -1.18 0.00 0.00 61.69 57.63 2fwu s THR 640 Cb -0.16 -4.07 0.19 0.00 1.34 0.00 0.00 72.50 69.80 2fwu s THR 640 CO -0.07 -0.98 1.20 -0.75 -0.54 0.00 0.00 174.62 173.48 2fwu s LYS 641 N 0.01 0.11 -0.26 3.99 2.36 -1.26 -4.72 119.74 119.97 2fwu s LYS 641 Ca 0.18 0.24 0.01 0.00 -2.55 0.00 0.00 55.97 53.86 2fwu s LYS 641 Cb -0.14 0.11 0.07 0.00 -1.05 0.00 0.00 37.83 36.82 2fwu s LYS 641 CO -0.07 -0.03 -0.01 -1.17 1.55 0.00 0.00 175.35 175.61 2fwu s LEU 642 N 1.78 2.91 -0.64 5.43 2.96 -0.45 -4.22 118.68 126.44 2fwu s LEU 642 Ca -0.03 -1.41 -0.22 0.00 -0.22 0.00 0.00 54.13 52.24 2fwu s LEU 642 Cb -0.02 -1.21 0.07 0.00 0.50 0.00 0.00 46.19 45.52 2fwu s LEU 642 CO -0.15 -0.29 0.93 -0.70 -1.32 0.00 0.00 176.35 174.83 2fwu s GLU 643 N 1.34 3.12 -0.52 1.98 2.12 0.41 -0.66 118.70 126.48 2fwu s GLU 643 Ca -0.01 -0.85 -0.21 0.00 0.36 0.00 0.00 54.97 54.27 2fwu s GLU 643 Cb -0.19 -4.22 0.05 0.00 0.26 0.00 0.00 34.13 30.04 2fwu s GLU 643 CO -0.09 -1.75 0.75 0.08 -0.54 0.00 0.00 175.26 173.71 2fwu s VAL 644 N 3.88 4.68 -0.19 3.70 1.01 -0.43 -0.47 120.40 132.57 2fwu s VAL 644 Ca 0.21 -0.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 2fwu s VAL 644 Cb -0.17 -4.40 -0.03 0.00 0.00 0.00 0.00 36.38 31.78 2fwu s VAL 644 CO 0.10 -0.93 0.48 -0.63 0.00 0.00 0.00 175.10 174.13 2fwu s ILE 645 N 3.17 5.14 -0.38 2.22 1.09 -0.61 -2.18 121.20 129.64 2fwu s ILE 645 Ca 0.21 0.89 -0.09 0.00 -1.10 0.00 0.00 60.65 60.56 2fwu s ILE 645 Cb -0.16 -3.81 0.05 0.00 -1.06 0.00 0.00 42.46 37.47 2fwu s ILE 645 CO 0.15 0.21 0.20 -0.63 -0.10 0.00 0.00 174.94 174.77 2fwu s ILE 646 N 1.47 4.25 -0.04 2.92 1.09 0.34 -1.47 121.20 129.77 2fwu s ILE 646 Ca 0.23 -1.14 -0.02 0.00 -1.10 0.00 0.00 60.65 58.62 2fwu s ILE 646 Cb -0.15 -3.47 -0.04 0.00 -1.06 0.00 0.00 42.46 37.74 2fwu s ILE 646 CO 0.09 -0.33 0.08 -1.83 -0.10 0.00 0.00 174.94 172.85 2fwu s GLU 647 N 1.47 3.11 0.22 2.79 -1.05 -1.11 -3.39 118.70 120.74 2fwu s GLU 647 Ca 0.01 -0.42 -0.32 0.00 -0.15 0.00 0.00 54.97 54.10 2fwu s GLU 647 Cb -0.21 -2.90 -0.13 0.00 -0.44 0.00 0.00 34.13 30.46 2fwu s GLU 647 CO 0.04 0.68 1.56 0.39 0.95 0.00 0.00 175.26 178.88 2fwu n GLU 648 N 1.46 2.37 -1.67 -4.83 -0.58 -1.26 -2.64 120.64 113.49 2fwu n GLU 648 Ca -0.15 0.85 -0.51 0.00 -0.42 0.00 0.00 57.16 56.93 2fwu n GLU 648 Cb 0.53 -2.61 -0.05 0.00 -0.57 0.00 0.00 31.44 28.74 2fwu n GLU 648 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2fwu n SER 649 N 2.89 2.86 0.06 1.62 2.88 -1.26 -4.78 113.62 117.89 2fwu n SER 649 Ca 0.13 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 2fwu n SER 649 Cb 0.33 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 2fwu n SER 649 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2fwu n TYR 650 N 5.13 -1.01 -3.05 0.66 9.36 -1.26 -5.02 117.16 121.96 2fwu n TYR 650 Ca 0.22 0.18 0.00 0.00 3.32 0.00 0.00 57.90 61.62 2fwu n TYR 650 Cb 0.24 0.43 0.00 0.00 -0.63 0.00 0.00 39.34 39.37 2fwu n TYR 650 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2fwu n GLU 651 N -2.99 0.00 -3.45 2.98 1.02 -1.26 -5.13 120.64 111.81 2fwu n GLU 651 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.86 2fwu n GLU 651 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.30 2fwu n GLU 651 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2fwu s PHE 652 N -4.91 0.60 -0.13 -0.32 5.36 -1.26 -4.81 117.98 112.52 2fwu s PHE 652 Ca 0.00 -1.53 0.00 0.00 -0.96 0.00 0.00 56.93 54.44 2fwu s PHE 652 Cb 0.00 -0.86 0.02 0.00 -0.34 0.00 0.00 43.02 41.85 2fwu s PHE 652 CO 0.00 -0.84 -0.12 0.15 -1.46 0.00 0.00 175.22 172.94 2fwu s LYS 653 N 1.13 2.04 -1.15 10.12 1.02 -1.26 -5.06 119.74 126.57 2fwu s LYS 653 Ca 0.18 -0.46 -0.16 0.00 0.02 0.00 0.00 55.97 55.55 2fwu s LYS 653 Cb -0.22 -1.90 0.14 0.00 -0.52 0.00 0.00 37.83 35.33 2fwu s LYS 653 CO 0.00 -0.21 1.42 -1.54 -0.92 0.00 0.00 175.35 174.10 2fwu s SER 654 N 1.45 6.91 0.07 2.83 1.04 -1.26 -4.74 113.70 120.00 2fwu s SER 654 Ca 0.03 -2.62 -0.31 0.00 0.48 0.00 0.00 55.95 53.52 2fwu s SER 654 Cb -0.13 -2.44 -0.07 0.00 0.10 0.00 0.00 66.02 63.48 2fwu s SER 654 CO -0.08 -0.92 1.38 0.28 0.98 0.00 0.00 173.24 174.87 2fwu s THR 655 N 2.42 3.51 -0.26 2.02 -1.32 -1.26 -3.69 115.64 117.06 2fwu s THR 655 Ca 0.43 1.03 -0.08 0.00 -1.21 0.00 0.00 61.69 61.86 2fwu s THR 655 Cb -0.02 -3.66 0.01 0.00 -1.51 0.00 0.00 72.50 67.32 2fwu s THR 655 CO -0.01 0.05 0.30 0.52 -2.21 0.00 0.00 174.62 173.27 2fwu n VAL 656 N 4.18 -8.03 1.46 5.08 0.31 -1.26 -4.74 118.33 115.33 2fwu n VAL 656 Ca 0.12 0.72 0.12 0.00 -0.01 0.00 0.00 64.34 65.28 2fwu n VAL 656 Cb 0.43 -6.09 0.69 0.00 -0.91 0.00 0.00 33.84 27.96 2fwu n VAL 656 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98