#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n7c s GLU 504 N 0.00 2.20 0.01 3.49 -1.05 0.38 -4.87 118.70 118.86 3n7c s GLU 504 Ca 0.00 -0.91 -0.29 0.00 -0.15 0.00 0.00 54.97 53.62 3n7c s GLU 504 Cb 0.00 -2.26 -0.03 0.00 -0.44 0.00 0.00 34.13 31.39 3n7c s GLU 504 CO 0.00 0.56 0.94 0.08 0.95 0.00 0.00 175.26 177.79 3n7c s VAL 505 N -0.92 4.84 -0.07 1.83 1.01 -1.26 -1.02 120.40 124.81 3n7c s VAL 505 Ca 0.15 1.99 0.15 0.00 0.00 0.00 0.00 61.98 64.26 3n7c s VAL 505 Cb -0.11 -4.29 -0.22 0.00 0.00 0.00 0.00 36.38 31.77 3n7c s VAL 505 CO 0.05 0.19 0.22 0.18 0.00 0.00 0.00 175.10 175.74 3n7c n LEU 506 N 3.72 0.00 -3.57 3.92 4.77 0.98 -4.97 117.00 121.86 3n7c n LEU 506 Ca 0.05 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.88 3n7c n LEU 506 Cb 0.51 0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.69 3n7c n LEU 506 CO 0.51 0.16 0.51 0.12 -1.33 0.00 0.00 177.39 177.36 3n7c s PHE 507 N -2.77 -0.63 -0.06 -1.77 5.36 -1.21 -4.94 117.98 111.96 3n7c s PHE 507 Ca -0.06 1.25 -0.14 0.00 -0.96 0.00 0.00 56.93 57.02 3n7c s PHE 507 Cb 0.08 0.38 0.03 0.00 -0.34 0.00 0.00 43.02 43.16 3n7c s PHE 507 CO 0.63 -0.48 0.33 0.00 -1.46 0.00 0.00 175.22 174.24 3n7c s GLU 509 N -0.71 0.52 0.33 0.00 2.02 -1.10 -5.00 118.70 114.76 3n7c s GLU 509 Ca -0.08 0.05 -0.27 0.00 0.02 0.00 0.00 54.97 54.68 3n7c s GLU 509 Cb -0.04 0.24 -0.09 0.00 0.10 0.00 0.00 34.13 34.34 3n7c s GLU 509 CO 0.03 -0.18 1.10 0.21 0.02 0.00 0.00 175.26 176.44 3n7c s LYS 510 N -1.47 4.44 -0.04 1.61 2.47 -1.26 -1.38 119.74 124.10 3n7c s LYS 510 Ca 0.02 1.74 -0.11 0.00 -1.56 0.00 0.00 55.97 56.06 3n7c s LYS 510 Cb -0.01 -2.95 0.02 0.00 -1.46 0.00 0.00 37.83 33.43 3n7c s LYS 510 CO -0.02 0.05 0.25 0.00 0.16 0.00 0.00 175.35 175.79 3n7c s ALA 511 N -1.32 -0.63 -0.05 3.13 0.00 -0.05 -4.43 121.76 118.42 3n7c s ALA 511 Ca 0.50 0.36 -0.03 0.00 0.00 0.00 0.00 51.96 52.78 3n7c s ALA 511 Cb -0.29 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 3n7c s ALA 511 CO 0.38 -0.20 0.13 0.21 0.00 0.00 0.00 175.76 176.28 3n7c s LYS 512 N -0.82 3.32 -0.12 0.00 2.20 0.61 -1.64 119.74 123.29 3n7c s LYS 512 Ca -0.09 -0.30 0.02 0.00 -0.36 0.00 0.00 55.97 55.23 3n7c s LYS 512 Cb -0.05 -3.05 -0.01 0.00 -1.51 0.00 0.00 37.83 33.22 3n7c s LYS 512 CO 0.02 0.70 -0.17 -1.17 -0.36 0.00 0.00 175.35 174.37 3n7c s LEU 513 N -1.52 2.47 0.08 5.43 2.96 -0.74 -0.21 118.68 127.15 3n7c s LEU 513 Ca 0.21 -0.42 0.06 0.00 -0.22 0.00 0.00 54.13 53.76 3n7c s LEU 513 Cb -0.12 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 3n7c s LEU 513 CO 0.12 0.16 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.39 3n7c s LEU 514 N 0.34 2.29 0.00 -0.68 1.02 0.09 -1.56 118.68 120.18 3n7c s LEU 514 Ca -0.14 -0.64 0.05 0.00 0.02 0.00 0.00 54.13 53.42 3n7c s LEU 514 Cb -0.17 -0.63 -0.03 0.00 0.02 0.00 0.00 46.19 45.38 3n7c s LEU 514 CO 0.07 -0.04 -0.14 -0.51 0.02 0.00 0.00 176.35 175.75 3n7c s ILE 515 N -1.27 3.07 0.24 -0.59 2.07 -0.53 0.25 121.20 124.44 3n7c s ILE 515 Ca 0.01 -0.95 -0.18 0.00 -1.41 0.00 0.00 60.65 58.12 3n7c s ILE 515 Cb -0.10 -2.28 -0.08 0.00 0.13 0.00 0.00 42.46 40.13 3n7c s ILE 515 CO 0.03 0.43 0.71 0.12 -1.91 0.00 0.00 174.94 174.32 3n7c s PHE 516 N -0.88 3.59 0.00 3.50 5.36 -0.80 -0.69 117.98 128.05 3n7c s PHE 516 Ca 0.14 1.33 0.00 0.00 -0.96 0.00 0.00 56.93 57.44 3n7c s PHE 516 Cb -0.11 -2.58 0.00 0.00 -0.34 0.00 0.00 43.02 39.99 3n7c s PHE 516 CO 0.04 0.29 0.00 0.41 -1.46 0.00 0.00 175.22 174.50 3n7c n GLY 522 N 0.49 0.00 3.41 13.12 0.00 -1.26 -4.83 105.19 116.13 3n7c n GLY 522 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3n7c n GLY 522 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3n7c s TYR 523 N 0.00 3.00 -0.13 1.61 2.02 -1.26 -5.11 117.35 117.48 3n7c s TYR 523 Ca 0.00 -0.56 -0.02 0.00 -0.37 0.00 0.00 57.07 56.11 3n7c s TYR 523 Cb 0.00 -2.06 -0.03 0.00 -0.40 0.00 0.00 41.96 39.47 3n7c s TYR 523 CO 0.00 -0.29 -0.05 0.99 -1.57 0.00 0.00 175.55 174.63 3n7c s THR 524 N 1.01 3.83 0.60 -0.71 2.01 0.14 -4.91 115.64 117.60 3n7c s THR 524 Ca 0.01 -0.39 -0.18 0.00 0.31 0.00 0.00 61.69 61.44 3n7c s THR 524 Cb -0.14 -2.65 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 3n7c s THR 524 CO 0.01 0.53 0.88 -0.24 -0.69 0.00 0.00 174.62 175.11 3n7c n SER 525 N 3.13 0.40 0.00 3.53 2.88 -1.26 -1.45 113.62 120.85 3n7c n SER 525 Ca -0.18 0.79 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 3n7c n SER 525 Cb 0.53 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 3n7c n SER 525 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3n7c n ARG 526 N -0.86 3.38 0.00 -1.46 5.12 -0.60 -4.79 116.66 117.46 3n7c n ARG 526 Ca 0.13 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.05 3n7c n ARG 526 Cb 0.47 -0.65 0.00 0.00 -1.16 0.00 0.00 32.46 31.13 3n7c n ARG 526 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3n7c n GLY 527 N 1.38 2.46 3.40 -0.13 0.00 -1.24 -4.99 105.19 106.07 3n7c n GLY 527 Ca 0.00 -1.72 -0.31 0.00 0.00 0.00 0.00 46.02 43.99 3n7c n GLY 527 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n7c s VAL 528 N -1.75 2.48 0.07 1.61 1.01 -1.26 -1.79 120.40 120.76 3n7c s VAL 528 Ca 0.00 -1.24 -0.20 0.00 0.00 0.00 0.00 61.98 60.53 3n7c s VAL 528 Cb 0.00 -2.00 0.07 0.00 0.00 0.00 0.00 36.38 34.45 3n7c s VAL 528 CO 0.00 0.38 0.95 0.61 0.00 0.00 0.00 175.10 177.04 3n7c n GLY 529 N 1.75 0.52 3.69 4.51 0.00 -0.65 -4.43 105.19 110.58 3n7c n GLY 529 Ca -0.17 -1.06 -0.38 0.00 0.00 0.00 0.00 46.02 44.41 3n7c n GLY 529 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3n7c s GLU 530 N -2.03 4.25 -0.20 1.61 8.01 -1.17 -0.87 118.70 128.31 3n7c s GLU 530 Ca 0.22 0.36 -0.08 0.00 0.01 0.00 0.00 54.97 55.48 3n7c s GLU 530 Cb -0.02 -3.50 -0.04 0.00 -4.31 0.00 0.00 34.13 26.26 3n7c s GLU 530 CO 0.02 0.02 0.07 -1.17 0.01 0.00 0.00 175.26 174.21 3n7c s LEU 531 N 1.11 3.78 0.12 1.80 2.96 -0.48 -2.74 118.68 125.23 3n7c s LEU 531 Ca 0.23 0.04 0.09 0.00 -0.22 0.00 0.00 54.13 54.27 3n7c s LEU 531 Cb -0.15 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 3n7c s LEU 531 CO 0.09 0.14 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.51 3n7c s LYS 532 N 0.59 1.21 -0.29 1.98 1.02 0.21 -2.71 119.74 121.74 3n7c s LYS 532 Ca 0.04 -1.25 -0.07 0.00 0.02 0.00 0.00 55.97 54.71 3n7c s LYS 532 Cb -0.13 -1.46 0.01 0.00 -0.52 0.00 0.00 37.83 35.72 3n7c s LYS 532 CO 0.01 0.33 0.08 -1.17 -0.92 0.00 0.00 175.35 173.69 3n7c s LEU 533 N -2.11 3.83 -0.04 3.17 0.20 -0.60 -0.36 118.68 122.77 3n7c s LEU 533 Ca 0.10 -0.68 0.04 0.00 0.69 0.00 0.00 54.13 54.28 3n7c s LEU 533 Cb -0.09 -1.88 -0.02 0.00 -0.43 0.00 0.00 46.19 43.76 3n7c s LEU 533 CO 0.05 -0.19 -0.16 -0.76 -0.29 0.00 0.00 176.35 175.00 3n7c s LEU 534 N 1.51 2.61 -0.02 -0.68 1.43 0.02 -0.01 118.68 123.53 3n7c s LEU 534 Ca 0.03 -0.25 0.05 0.00 -1.03 0.00 0.00 54.13 52.93 3n7c s LEU 534 Cb -0.17 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 3n7c s LEU 534 CO 0.03 0.34 -0.15 -0.60 0.23 0.00 0.00 176.35 176.19 3n7c s ARG 535 N -0.72 1.32 0.29 1.70 3.52 -0.19 -1.09 118.95 123.78 3n7c s ARG 535 Ca 0.11 -0.55 -0.30 0.00 -0.13 0.00 0.00 55.73 54.87 3n7c s ARG 535 Cb -0.10 -1.25 -0.11 0.00 -1.56 0.00 0.00 34.95 31.93 3n7c s ARG 535 CO 0.00 0.31 1.49 0.15 -0.81 0.00 0.00 175.30 176.44 3n7c s LYS 536 N -0.27 4.20 0.31 5.12 -0.14 -0.65 -0.47 119.74 127.84 3n7c s LYS 536 Ca 0.04 2.43 0.04 0.00 -1.36 0.00 0.00 55.97 57.12 3n7c s LYS 536 Cb -0.07 -3.06 0.51 0.00 -1.68 0.00 0.00 37.83 33.53 3n7c s LYS 536 CO -0.00 -0.49 1.79 1.57 -0.76 0.00 0.00 175.35 177.45 3n7c h LYS 537 N 4.60 0.46 -0.00 1.68 2.10 -1.93 -2.91 116.57 120.59 3n7c h LYS 537 Ca -0.47 -0.14 0.00 0.00 -2.00 0.00 0.00 60.65 58.03 3n7c h LYS 537 Cb 1.22 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 3n7c h LYS 537 CO 0.76 0.62 -0.27 -0.25 -2.00 0.00 0.00 179.45 178.31 3n7c n ASP 538 N -4.18 0.39 -3.24 7.07 8.00 -1.26 -4.77 116.55 118.56 3n7c n ASP 538 Ca 0.00 -0.14 -0.03 0.00 0.71 0.00 0.00 54.79 55.33 3n7c n ASP 538 Cb 0.34 -0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.37 3n7c n ASP 538 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3n7c s ASP 539 N -2.87 -0.49 0.64 -2.24 -1.08 -1.10 -5.01 116.67 104.53 3n7c s ASP 539 Ca 0.16 0.10 0.30 0.00 -0.52 0.00 0.00 52.55 52.60 3n7c s ASP 539 Cb 0.19 1.54 1.63 0.00 -1.46 0.00 0.00 42.92 44.82 3n7c s ASP 539 CO 0.60 -0.31 1.95 0.11 0.52 0.00 0.00 175.17 178.04 3n7c h LYS 540 N 8.09 0.00 0.00 4.34 1.57 -1.86 -1.74 116.57 126.97 3n7c h LYS 540 Ca -0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3n7c h LYS 540 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3n7c h LYS 540 CO 0.23 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.52 3n7c n GLY 541 N -1.30 -1.18 3.18 3.86 0.00 -1.26 -4.62 105.19 103.87 3n7c n GLY 541 Ca 0.01 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 3n7c n GLY 541 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n7c s LYS 542 N -2.41 2.31 -0.04 1.61 1.02 -0.65 -5.06 119.74 116.52 3n7c s LYS 542 Ca 0.33 -1.71 0.03 0.00 0.02 0.00 0.00 55.97 54.65 3n7c s LYS 542 Cb 0.20 -3.74 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 3n7c s LYS 542 CO 0.43 -1.08 -0.14 0.08 -0.92 0.00 0.00 175.35 173.72 3n7c s VAL 543 N 1.28 1.17 0.13 3.17 1.01 -1.26 -1.64 120.40 124.26 3n7c s VAL 543 Ca 0.06 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.51 3n7c s VAL 543 Cb -0.24 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 3n7c s VAL 543 CO -0.02 0.35 -0.10 0.00 0.00 0.00 0.00 175.10 175.33 3n7c s ARG 544 N 0.14 0.98 -0.20 2.72 1.70 -0.25 -0.63 118.95 123.40 3n7c s ARG 544 Ca -0.04 -1.37 -0.09 0.00 -0.47 0.00 0.00 55.73 53.76 3n7c s ARG 544 Cb -0.11 -0.54 -0.05 0.00 -0.57 0.00 0.00 34.95 33.68 3n7c s ARG 544 CO 0.02 0.06 0.11 0.08 -1.08 0.00 0.00 175.30 174.49 3n7c s VAL 545 N -3.17 5.25 -0.12 4.99 1.01 0.82 -0.80 120.40 128.37 3n7c s VAL 545 Ca 0.13 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.26 3n7c s VAL 545 Cb 0.02 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 33.03 3n7c s VAL 545 CO -0.00 0.45 -0.14 -0.22 0.00 0.00 0.00 175.10 175.18 3n7c s LEU 546 N 0.36 1.65 -0.09 3.92 2.96 0.51 -1.74 118.68 126.26 3n7c s LEU 546 Ca 0.07 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 3n7c s LEU 546 Cb -0.11 -1.09 0.02 0.00 0.50 0.00 0.00 46.19 45.51 3n7c s LEU 546 CO -0.01 -0.02 -0.11 0.00 -1.32 0.00 0.00 176.35 174.88 3n7c s ARG 548 N 1.03 3.11 0.00 0.00 1.81 -1.11 0.16 118.95 123.95 3n7c s ARG 548 Ca -0.07 -0.80 0.00 0.00 -1.72 0.00 0.00 55.73 53.14 3n7c s ARG 548 Cb -0.15 -2.55 0.00 0.00 -0.45 0.00 0.00 34.95 31.80 3n7c s ARG 548 CO -0.01 -0.04 0.34 0.45 -0.68 0.00 0.00 175.30 175.37 3n7c n SER 549 N 4.17 0.00 -2.64 0.23 2.88 -1.26 -3.02 113.62 113.98 3n7c n SER 549 Ca -0.20 0.34 -0.33 0.00 -1.33 0.00 0.00 58.87 57.36 3n7c n SER 549 Cb 0.51 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.99 3n7c n SER 549 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3n7c n GLY 553 N -0.45 5.82 3.91 0.46 0.00 -1.26 -4.87 105.19 108.79 3n7c n GLY 553 Ca 0.00 -2.63 -0.28 0.00 0.00 0.00 0.00 46.02 43.11 3n7c n GLY 553 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3n7c s HIS 554 N -3.78 3.52 -0.22 1.61 0.00 -1.26 -5.01 115.29 110.16 3n7c s HIS 554 Ca 0.50 0.77 -0.29 0.00 -3.00 0.00 0.00 55.06 53.04 3n7c s HIS 554 Cb 0.42 -2.24 -0.01 0.00 -4.00 0.00 0.00 32.58 26.75 3n7c s HIS 554 CO -0.27 -0.12 1.33 0.08 -1.00 0.00 0.00 174.74 174.76 3n7c s VAL 555 N -2.51 4.13 -0.01 -5.38 1.01 -1.26 -4.32 120.40 112.05 3n7c s VAL 555 Ca 0.47 1.33 0.06 0.00 0.00 0.00 0.00 61.98 63.83 3n7c s VAL 555 Cb -0.10 -4.01 -0.24 0.00 0.00 0.00 0.00 36.38 32.03 3n7c s VAL 555 CO 0.39 -0.28 0.78 -0.07 0.00 0.00 0.00 175.10 175.91 3n7c h LEU 556 N 10.41 0.14 -7.29 3.92 3.38 0.11 -3.47 115.31 122.51 3n7c h LEU 556 Ca -0.28 -0.24 -0.16 0.00 0.09 0.00 0.00 57.88 57.29 3n7c h LEU 556 Cb 1.11 -0.05 -0.28 0.00 0.09 0.00 0.00 40.66 41.53 3n7c h LEU 556 CO 1.00 1.21 -0.41 -0.22 0.09 0.00 0.00 178.44 180.11 3n7c s LEU 557 N -6.52 0.17 -0.36 1.67 2.96 -1.12 -4.97 118.68 110.51 3n7c s LEU 557 Ca -0.07 0.69 0.02 0.00 -0.22 0.00 0.00 54.13 54.54 3n7c s LEU 557 Cb 0.08 1.00 0.15 0.00 0.50 0.00 0.00 46.19 47.92 3n7c s LEU 557 CO 0.82 -0.18 0.29 0.21 -1.32 0.00 0.00 176.35 176.17 3n7c s ASN 558 N 1.36 2.14 0.03 3.68 2.47 -1.25 -1.03 114.94 122.34 3n7c s ASN 558 Ca -0.09 -2.03 -0.00 0.00 0.42 0.00 0.00 52.86 51.15 3n7c s ASN 558 Cb -0.10 -0.02 -0.03 0.00 -1.45 0.00 0.00 41.25 39.66 3n7c s ASN 558 CO -0.10 -0.28 -0.03 0.42 -3.72 0.00 0.00 177.10 173.39 3n7c s THR 559 N 1.12 0.14 0.42 -5.21 -4.23 -0.71 -4.98 115.64 102.20 3n7c s THR 559 Ca 0.19 -1.15 -0.24 0.00 -1.18 0.00 0.00 61.69 59.30 3n7c s THR 559 Cb -0.18 -0.60 -0.08 0.00 1.34 0.00 0.00 72.50 72.98 3n7c s THR 559 CO -0.02 -0.63 1.16 -0.44 -0.54 0.00 0.00 174.62 174.15 3n7c s SER 560 N -1.85 6.39 0.08 3.99 0.01 -1.26 -0.13 113.70 120.92 3n7c s SER 560 Ca -0.10 2.32 -0.31 0.00 1.31 0.00 0.00 55.95 59.17 3n7c s SER 560 Cb -0.05 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.51 3n7c s SER 560 CO -0.03 -0.77 1.25 -0.69 0.41 0.00 0.00 173.24 173.41 3n7c s VAL 561 N -1.48 3.83 -0.12 3.43 1.01 0.19 -4.85 120.40 122.42 3n7c s VAL 561 Ca 0.60 1.32 -0.07 0.00 0.00 0.00 0.00 61.98 63.82 3n7c s VAL 561 Cb -0.29 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 3n7c s VAL 561 CO 0.36 0.10 0.14 -0.69 0.00 0.00 0.00 175.10 175.02 3n7c s VAL 562 N 1.07 5.50 0.25 2.92 1.01 -1.26 -4.82 120.40 125.07 3n7c s VAL 562 Ca 0.60 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.77 3n7c s VAL 562 Cb -0.31 -3.40 0.12 0.00 0.00 0.00 0.00 36.38 32.78 3n7c s VAL 562 CO 0.29 0.62 1.76 0.07 0.00 0.00 0.00 175.10 177.85 3n7c h LYS 563 N 4.97 0.88 -0.01 2.72 -0.00 -1.97 -3.29 116.57 119.87 3n7c h LYS 563 Ca -0.55 -0.22 0.00 0.00 -0.00 0.00 0.00 60.65 59.88 3n7c h LYS 563 Cb 1.23 -0.11 0.00 0.00 -0.00 0.00 0.00 32.23 33.35 3n7c h LYS 563 CO 0.58 0.83 0.00 -1.13 -0.00 0.00 0.00 179.45 179.73 3n7c n SER 564 N -4.23 0.49 -4.67 7.07 3.41 -1.26 -4.83 113.62 109.60 3n7c n SER 564 Ca 0.03 -1.23 -0.32 0.00 -0.26 0.00 0.00 58.87 57.09 3n7c n SER 564 Cb 0.28 -0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 64.13 3n7c n SER 564 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3n7c s PHE 565 N -1.99 3.01 -0.15 7.33 0.08 -1.24 -5.11 117.98 119.92 3n7c s PHE 565 Ca 0.42 0.02 -0.09 0.00 0.12 0.00 0.00 56.93 57.40 3n7c s PHE 565 Cb 0.20 -1.62 -0.05 0.00 -0.57 0.00 0.00 43.02 40.99 3n7c s PHE 565 CO 0.33 0.45 0.16 0.15 -0.10 0.00 0.00 175.22 176.22 3n7c s LYS 566 N -1.77 3.81 -0.35 0.44 1.02 -1.26 -4.94 119.74 116.70 3n7c s LYS 566 Ca 0.21 -0.12 -0.04 0.00 0.02 0.00 0.00 55.97 56.04 3n7c s LYS 566 Cb -0.11 -3.30 0.07 0.00 -0.52 0.00 0.00 37.83 33.96 3n7c s LYS 566 CO 0.12 0.55 0.10 0.71 -0.92 0.00 0.00 175.35 175.92 3n7c s TYR 567 N -0.39 3.36 0.19 3.18 2.02 -1.26 -4.85 117.35 119.61 3n7c s TYR 567 Ca 0.13 -1.90 -0.09 0.00 -0.37 0.00 0.00 57.07 54.83 3n7c s TYR 567 Cb -0.12 -2.54 -0.01 0.00 -0.40 0.00 0.00 41.96 38.89 3n7c s TYR 567 CO 0.02 -0.84 0.33 1.14 -1.57 0.00 0.00 175.55 174.63 3n7c s GLN 568 N 1.27 1.28 0.65 -0.62 -2.07 -1.24 -4.79 119.66 114.13 3n7c s GLN 568 Ca 0.00 -1.25 -0.18 0.00 -1.82 0.00 0.00 55.36 52.12 3n7c s GLN 568 Cb -0.21 0.39 -0.01 0.00 -1.09 0.00 0.00 33.01 32.10 3n7c s GLN 568 CO -0.01 -0.49 1.27 -2.14 -1.32 0.00 0.00 175.29 172.61 3n7c s PRO 569 N -4.01 2.56 0.51 9.60 0.02 -1.26 -0.99 135.00 141.44 3n7c s PRO 569 Ca 0.21 1.99 0.17 0.00 0.02 0.00 0.00 61.00 63.40 3n7c s PRO 569 Cb 0.03 -1.86 1.26 0.00 0.02 0.00 0.00 34.50 33.95 3n7c s PRO 569 CO 0.04 -1.57 2.11 -0.84 -0.33 0.00 0.00 177.00 176.41 3n7c h ILE 570 N 0.49 0.95 -2.57 2.83 3.07 -1.26 -3.43 117.51 117.59 3n7c h ILE 570 Ca -0.50 -0.02 0.15 0.00 1.55 0.00 0.00 64.86 66.03 3n7c h ILE 570 Cb 1.33 0.90 -0.03 0.00 -0.27 0.00 0.00 36.82 38.74 3n7c h ILE 570 CO 0.53 0.01 0.55 1.51 -1.05 0.00 0.00 178.15 179.70 3n7c s ASP 571 N -6.85 -0.01 0.51 2.16 1.47 -1.26 -5.04 116.67 107.66 3n7c s ASP 571 Ca -0.05 -0.70 0.30 0.00 1.18 0.00 0.00 52.55 53.27 3n7c s ASP 571 Cb 0.18 0.53 1.24 0.00 -0.34 0.00 0.00 42.92 44.53 3n7c s ASP 571 CO 0.69 -1.06 1.95 0.00 0.68 0.00 0.00 175.17 177.43 3n7c h ALA 572 N 2.00 1.03 -0.63 2.11 0.00 -2.01 -2.69 119.26 119.08 3n7c h ALA 572 Ca -0.28 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3n7c h ALA 572 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3n7c h ALA 572 CO 0.36 0.11 0.00 -0.25 0.00 0.00 0.00 179.25 179.47 3n7c n ASP 573 N -3.24 3.95 -2.78 0.00 9.92 -1.26 -4.37 116.55 118.77 3n7c n ASP 573 Ca 0.00 -2.20 -0.11 0.00 -0.53 0.00 0.00 54.79 51.95 3n7c n ASP 573 Cb 0.34 -0.50 0.02 0.00 -0.64 0.00 0.00 41.12 40.34 3n7c n ASP 573 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3n7c n ASN 574 N 1.22 1.27 0.22 -2.24 3.02 -1.01 -4.92 115.26 112.81 3n7c n ASN 574 Ca 0.23 -2.78 0.15 0.00 -0.03 0.00 0.00 54.58 52.15 3n7c n ASN 574 Cb 0.69 -0.53 0.71 0.00 -0.61 0.00 0.00 39.78 40.04 3n7c n ASN 574 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3n7c h GLU 575 N 2.99 0.00 -0.01 3.52 3.07 -1.76 -1.35 114.58 121.04 3n7c h GLU 575 Ca -0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 3n7c h GLU 575 Cb 1.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 3n7c h GLU 575 CO 0.49 0.00 -0.04 0.27 -1.40 0.00 0.00 179.01 178.33 3n7c n ASN 576 N -2.61 1.02 -4.16 1.42 6.94 -1.26 -4.22 115.26 112.39 3n7c n ASN 576 Ca -0.00 -1.21 -0.35 0.00 -0.02 0.00 0.00 54.58 52.99 3n7c n ASN 576 Cb 0.16 0.01 -0.13 0.00 -2.36 0.00 0.00 39.78 37.46 3n7c n ASN 576 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3n7c s LEU 577 N -2.12 4.31 -0.24 -4.53 1.43 -0.51 -1.03 118.68 115.99 3n7c s LEU 577 Ca 0.37 -1.49 -0.12 0.00 -1.03 0.00 0.00 54.13 51.86 3n7c s LEU 577 Cb 0.21 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 3n7c s LEU 577 CO 0.38 -0.34 0.23 -0.63 0.23 0.00 0.00 176.35 176.22 3n7c s ILE 578 N 1.22 5.31 -0.12 -0.59 -1.09 -0.28 -1.10 121.20 124.56 3n7c s ILE 578 Ca -0.01 0.32 -0.30 0.00 -2.23 0.00 0.00 60.65 58.43 3n7c s ILE 578 Cb -0.20 -3.56 -0.01 0.00 -1.58 0.00 0.00 42.46 37.10 3n7c s ILE 578 CO -0.02 0.31 1.08 -1.59 -1.23 0.00 0.00 174.94 173.49 3n7c s LYS 579 N 1.21 4.37 -0.54 2.79 -2.85 -0.16 -0.56 119.74 124.00 3n7c s LYS 579 Ca 0.10 1.48 0.04 0.00 -1.00 0.00 0.00 55.97 56.59 3n7c s LYS 579 Cb -0.14 -3.58 0.16 0.00 -2.06 0.00 0.00 37.83 32.21 3n7c s LYS 579 CO 0.06 -0.42 0.36 -0.46 0.10 0.00 0.00 175.35 174.99 3n7c s TRP 580 N 2.35 2.47 0.53 1.78 -0.11 0.12 -3.71 118.94 122.36 3n7c s TRP 580 Ca 0.50 -2.81 -0.20 0.00 1.22 0.00 0.00 56.10 54.81 3n7c s TRP 580 Cb -0.20 -2.04 -0.06 0.00 -1.50 0.00 0.00 33.47 29.67 3n7c s TRP 580 CO 0.17 -0.70 1.13 -1.25 -4.62 0.00 0.00 176.95 171.68 3n7c s PRO 581 N -0.45 3.45 0.04 5.86 0.05 -1.26 -1.59 135.00 141.10 3n7c s PRO 581 Ca 0.24 1.62 0.02 0.00 0.05 0.00 0.00 61.00 62.92 3n7c s PRO 581 Cb -0.10 -2.07 -0.02 0.00 0.05 0.00 0.00 34.50 32.35 3n7c s PRO 581 CO -0.11 -0.77 -0.06 0.96 0.05 0.00 0.00 177.00 177.07 3n7c s ILE 582 N -1.75 0.41 -0.24 0.56 -4.36 0.14 -4.93 121.20 111.04 3n7c s ILE 582 Ca 0.71 -1.06 -0.08 0.00 -0.26 0.00 0.00 60.65 59.96 3n7c s ILE 582 Cb -0.24 -0.54 -0.04 0.00 1.25 0.00 0.00 42.46 42.90 3n7c s ILE 582 CO 0.27 -0.43 0.09 -0.63 0.24 0.00 0.00 174.94 174.48 3n7c s ILE 583 N -1.48 4.61 0.00 8.37 1.01 -1.26 -0.16 121.20 132.29 3n7c s ILE 583 Ca -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.46 3n7c s ILE 583 Cb -0.09 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.23 3n7c s ILE 583 CO -0.00 0.36 0.00 0.35 0.00 0.00 0.00 174.94 175.64 3n7c n THR 584 N 4.57 0.00 -2.87 2.92 -2.24 -1.26 -4.98 114.28 110.42 3n7c n THR 584 Ca -0.16 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 3n7c n THR 584 Cb 0.52 -0.43 -0.04 0.00 -2.10 0.00 0.00 70.33 68.27 3n7c n THR 584 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3n7c s LEU 588 N -2.69 4.07 0.08 3.22 2.96 -1.26 -5.28 118.68 119.78 3n7c s LEU 588 Ca 0.00 0.89 0.08 0.00 -0.22 0.00 0.00 54.13 54.88 3n7c s LEU 588 Cb 0.00 -3.20 -0.03 0.00 0.50 0.00 0.00 46.19 43.46 3n7c s LEU 588 CO 0.00 -0.61 -0.21 -0.70 -1.32 0.00 0.00 176.35 173.52 3n7c s GLU 589 N 3.01 1.19 -0.15 1.98 2.12 0.77 -4.98 118.70 122.64 3n7c s GLU 589 Ca 0.35 -1.09 0.02 0.00 0.36 0.00 0.00 54.97 54.62 3n7c s GLU 589 Cb -0.14 -1.40 0.01 0.00 0.26 0.00 0.00 34.13 32.86 3n7c s GLU 589 CO 0.10 0.33 -0.21 0.99 -0.54 0.00 0.00 175.26 175.94 3n7c s THR 590 N -1.05 2.10 0.11 -1.70 2.01 -1.26 0.24 115.64 116.08 3n7c s THR 590 Ca 0.06 -0.96 0.05 0.00 0.31 0.00 0.00 61.69 61.16 3n7c s THR 590 Cb -0.10 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 3n7c s THR 590 CO 0.03 0.55 -0.00 -0.36 -0.69 0.00 0.00 174.62 174.15 3n7c s PHE 591 N 0.90 2.95 -0.15 4.92 0.40 -0.62 -1.91 117.98 124.48 3n7c s PHE 591 Ca -0.05 -0.05 -0.04 0.00 -0.60 0.00 0.00 56.93 56.19 3n7c s PHE 591 Cb -0.15 -1.50 -0.03 0.00 0.51 0.00 0.00 43.02 41.85 3n7c s PHE 591 CO -0.04 0.48 -0.02 0.42 0.70 0.00 0.00 175.22 176.76 3n7c s ILE 592 N -1.38 4.08 -0.36 0.64 -1.09 0.14 0.13 121.20 123.35 3n7c s ILE 592 Ca 0.26 -0.30 -0.13 0.00 -2.23 0.00 0.00 60.65 58.25 3n7c s ILE 592 Cb -0.11 -2.78 -0.00 0.00 -1.58 0.00 0.00 42.46 37.99 3n7c s ILE 592 CO 0.18 0.51 0.25 -0.63 -1.23 0.00 0.00 174.94 174.02 3n7c s ILE 593 N 0.15 5.15 -0.28 2.92 -1.09 0.28 -0.73 121.20 127.61 3n7c s ILE 593 Ca -0.00 -0.44 -0.15 0.00 -2.23 0.00 0.00 60.65 57.83 3n7c s ILE 593 Cb -0.13 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 3n7c s ILE 593 CO 0.02 -0.12 0.36 -0.75 -1.23 0.00 0.00 174.94 173.22 3n7c s LYS 594 N 1.68 3.96 0.35 2.79 2.20 0.71 -1.12 119.74 130.30 3n7c s LYS 594 Ca 0.05 -0.04 0.09 0.00 -0.36 0.00 0.00 55.97 55.70 3n7c s LYS 594 Cb -0.18 -3.67 -0.05 0.00 -1.51 0.00 0.00 37.83 32.41 3n7c s LYS 594 CO 0.10 -0.30 0.04 0.14 -0.36 0.00 0.00 175.35 174.96 3n7c s VAL 595 N 2.04 2.60 0.33 4.02 -7.23 -0.20 -0.28 120.40 121.69 3n7c s VAL 595 Ca 0.14 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.41 3n7c s VAL 595 Cb -0.16 -2.84 0.28 0.00 0.56 0.00 0.00 36.38 34.22 3n7c s VAL 595 CO 0.10 -0.17 1.95 0.07 -0.31 0.00 0.00 175.10 176.74 3n7c h LYS 596 N 1.75 0.89 -3.58 4.82 -0.00 -1.86 -3.45 116.57 115.14 3n7c h LYS 596 Ca -0.43 -0.05 -0.15 0.00 -0.00 0.00 0.00 60.65 60.02 3n7c h LYS 596 Cb 1.25 -0.20 -0.20 0.00 -0.00 0.00 0.00 32.23 33.07 3n7c h LYS 596 CO 0.67 0.59 -0.51 -1.14 -0.00 0.00 0.00 179.45 179.06 3n7c s GLN 597 N -5.80 0.47 0.31 0.07 0.74 -1.26 -5.02 119.66 109.17 3n7c s GLN 597 Ca -0.11 -0.44 0.09 0.00 0.05 0.00 0.00 55.36 54.95 3n7c s GLN 597 Cb 0.19 0.19 0.86 0.00 1.10 0.00 0.00 33.01 35.36 3n7c s GLN 597 CO 0.78 -0.11 1.73 1.57 -0.55 0.00 0.00 175.29 178.71 3n7c h LYS 598 N 4.27 0.54 -0.50 1.67 5.09 -1.88 -1.71 116.57 124.06 3n7c h LYS 598 Ca -0.31 -0.03 -0.04 0.00 0.09 0.00 0.00 60.65 60.36 3n7c h LYS 598 Cb 1.19 -0.12 -0.02 0.00 0.10 0.00 0.00 32.23 33.38 3n7c h LYS 598 CO 0.41 0.36 0.17 0.00 -2.09 0.00 0.00 179.45 178.30 3n7c h ALA 599 N 1.73 0.66 -0.83 0.07 0.00 -1.95 -0.11 119.26 118.82 3n7c h ALA 599 Ca 0.63 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.33 3n7c h ALA 599 Cb 1.20 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3n7c h ALA 599 CO -0.48 0.30 0.40 -0.44 0.00 0.00 0.00 179.25 179.03 3n7c h ASP 600 N 0.68 1.09 -0.13 0.00 3.32 -1.72 -0.15 116.42 119.51 3n7c h ASP 600 Ca 0.16 -0.14 0.01 0.00 0.02 0.00 0.00 57.03 57.08 3n7c h ASP 600 Cb 0.25 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3n7c h ASP 600 CO -0.01 0.92 0.07 1.23 -1.72 0.00 0.00 179.24 179.74 3n7c h GLY 601 N 1.19 0.18 0.92 2.75 0.00 -1.03 0.18 103.07 107.26 3n7c h GLY 601 Ca 0.29 -0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.58 3n7c h GLY 601 CO -0.04 0.05 0.56 3.21 0.00 0.00 0.00 176.54 180.33 3n7c h ARG 602 N 0.16 1.08 -0.17 4.80 3.08 -0.81 -0.96 114.38 121.56 3n7c h ARG 602 Ca 0.05 -0.07 -0.18 0.00 0.07 0.00 0.00 59.98 59.86 3n7c h ARG 602 Cb -0.00 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 29.80 3n7c h ARG 602 CO -0.03 0.72 -0.63 -0.09 -1.07 0.00 0.00 179.97 178.87 3n7c h ARG 603 N 1.12 0.62 -0.38 0.04 2.43 -0.83 -0.91 114.38 116.47 3n7c h ARG 603 Ca 0.33 -0.43 0.02 0.00 -0.81 0.00 0.00 59.98 59.10 3n7c h ARG 603 Cb -0.05 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 3n7c h ARG 603 CO -0.10 1.05 0.20 1.25 -1.51 0.00 0.00 179.97 180.86 3n7c h LEU 604 N 0.46 0.31 -0.37 3.80 5.85 -0.27 -0.21 115.31 124.87 3n7c h LEU 604 Ca -0.01 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 3n7c h LEU 604 Cb 1.20 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 3n7c h LEU 604 CO 0.12 0.22 -0.12 0.58 -0.34 0.00 0.00 178.44 178.90 3n7c h VAL 605 N 0.41 1.28 -0.37 1.05 2.07 -1.08 -0.91 116.25 118.70 3n7c h VAL 605 Ca 0.16 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 3n7c h VAL 605 Cb 0.05 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3n7c h VAL 605 CO -0.10 0.40 0.18 1.23 0.02 0.00 0.00 177.57 179.30 3n7c h GLY 606 N 0.52 0.57 0.95 2.17 0.00 -1.09 -0.22 103.07 105.97 3n7c h GLY 606 Ca 0.09 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 3n7c h GLY 606 CO 0.04 0.27 0.17 0.00 0.00 0.00 0.00 176.54 177.02 3n7c h ALA 607 N 1.03 0.56 -0.51 3.60 0.00 -0.86 0.19 119.26 123.26 3n7c h ALA 607 Ca 0.13 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3n7c h ALA 607 Cb 0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3n7c h ALA 607 CO -0.02 0.17 -0.04 0.28 0.00 0.00 0.00 179.25 179.64 3n7c h VAL 608 N 0.55 1.26 -0.09 0.00 2.07 -1.06 0.16 116.25 119.13 3n7c h VAL 608 Ca 0.14 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 3n7c h VAL 608 Cb 0.20 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3n7c h VAL 608 CO -0.01 0.39 0.00 0.00 0.02 0.00 0.00 177.57 177.97 3n7c h ALA 609 N 1.14 0.12 -0.72 1.67 0.00 -0.70 0.08 119.26 120.85 3n7c h ALA 609 Ca 0.15 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.02 3n7c h ALA 609 Cb 0.54 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 3n7c h ALA 609 CO 0.03 -0.20 0.25 0.38 0.00 0.00 0.00 179.25 179.72 3n7c h ASP 610 N -0.11 0.20 -0.15 0.00 -0.00 -0.50 0.45 116.42 116.31 3n7c h ASP 610 Ca 0.03 0.11 0.03 0.00 -0.00 0.00 0.00 57.03 57.19 3n7c h ASP 610 Cb 0.34 0.11 -0.02 0.00 -0.00 0.00 0.00 39.33 39.75 3n7c h ASP 610 CO 0.00 0.08 -0.02 0.00 -0.00 0.00 0.00 179.24 179.30 3n7c h ALA 611 N 1.53 0.11 -0.47 4.15 0.00 -0.23 -2.41 119.26 121.94 3n7c h ALA 611 Ca 0.39 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 3n7c h ALA 611 Cb 0.59 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3n7c h ALA 611 CO -0.41 -0.46 0.16 1.96 0.00 0.00 0.00 179.25 180.50 3n7c h GLN 612 N 0.03 0.69 -0.92 0.00 4.20 -0.28 -2.60 115.11 116.23 3n7c h GLN 612 Ca 0.07 -0.11 0.23 0.00 0.06 0.00 0.00 58.65 58.90 3n7c h GLN 612 Cb 0.09 -0.12 -0.13 0.00 0.30 0.00 0.00 27.48 27.62 3n7c h GLN 612 CO -0.13 0.59 0.42 0.37 -0.67 0.00 0.00 178.83 179.42 3n7c h GLN 613 N 0.68 0.39 -0.01 1.46 5.75 -0.44 -3.50 115.11 119.43 3n7c h GLN 613 Ca 0.16 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 3n7c h GLN 613 Cb 0.18 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.65 3n7c h GLN 613 CO -0.01 0.26 0.00 0.00 -2.65 0.00 0.00 178.83 176.43