#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3g h ASP 404 N 0.00 0.54 -3.75 3.14 3.45 -1.46 -3.48 116.42 114.86 1t3g h ASP 404 Ca 0.00 -0.56 -0.40 0.00 0.43 0.00 0.00 57.03 56.51 1t3g h ASP 404 Cb 0.00 -0.17 -0.16 0.00 -0.56 0.00 0.00 39.33 38.44 1t3g h ASP 404 CO 0.00 1.42 -0.74 -0.31 -1.57 0.00 0.00 179.24 178.05 1t3g s TYR 405 N -2.73 1.46 0.12 4.55 1.51 -0.24 -5.01 117.35 117.02 1t3g s TYR 405 Ca -0.05 -0.63 0.08 0.00 -1.01 0.00 0.00 57.07 55.46 1t3g s TYR 405 Cb 0.07 -0.72 -0.14 0.00 -0.11 0.00 0.00 41.96 41.05 1t3g s TYR 405 CO 0.90 0.19 1.32 -0.44 -1.11 0.00 0.00 175.55 176.41 1t3g h ASP 406 N 2.97 0.00 -4.26 2.29 3.45 -0.99 0.13 116.42 120.01 1t3g h ASP 406 Ca -0.38 0.00 0.02 0.00 0.43 0.00 0.00 57.03 57.10 1t3g h ASP 406 Cb 1.20 0.00 -0.22 0.00 -0.56 0.00 0.00 39.33 39.75 1t3g h ASP 406 CO 0.58 0.94 0.37 0.00 -1.57 0.00 0.00 179.24 179.57 1t3g s ALA 407 N -2.81 -1.87 -0.27 3.45 0.00 -1.23 -2.18 121.76 116.85 1t3g s ALA 407 Ca 0.01 1.58 -0.10 0.00 0.00 0.00 0.00 51.96 53.45 1t3g s ALA 407 Cb 0.10 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1t3g s ALA 407 CO 0.81 -0.32 0.15 -0.47 0.00 0.00 0.00 175.76 175.93 1t3g s TYR 408 N -0.79 3.19 -0.25 0.00 5.04 0.69 -1.51 117.35 123.72 1t3g s TYR 408 Ca -0.04 -0.02 -0.20 0.00 -2.44 0.00 0.00 57.07 54.37 1t3g s TYR 408 Cb -0.01 -2.33 -0.02 0.00 0.35 0.00 0.00 41.96 39.95 1t3g s TYR 408 CO 0.03 -0.19 0.61 -0.51 -1.34 0.00 0.00 175.55 174.15 1t3g s LEU 409 N 1.64 4.07 -0.31 6.97 1.43 -0.68 -0.44 118.68 131.36 1t3g s LEU 409 Ca 0.07 0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 53.84 1t3g s LEU 409 Cb -0.15 -2.82 0.06 0.00 0.03 0.00 0.00 46.19 43.30 1t3g s LEU 409 CO 0.08 -0.35 0.02 -0.55 0.23 0.00 0.00 176.35 175.78 1t3g s SER 410 N 1.46 4.90 0.24 2.29 0.15 0.10 -4.49 113.70 118.35 1t3g s SER 410 Ca 0.25 -1.38 -0.01 0.00 0.70 0.00 0.00 55.95 55.51 1t3g s SER 410 Cb -0.16 -1.71 -0.03 0.00 -1.71 0.00 0.00 66.02 62.41 1t3g s SER 410 CO 0.09 -0.29 0.23 -0.72 1.20 0.00 0.00 173.24 173.75 1t3g s TYR 411 N 1.22 1.14 0.06 3.44 -0.00 -1.26 -0.96 117.35 120.99 1t3g s TYR 411 Ca -0.04 -1.32 0.09 0.00 -0.00 0.00 0.00 57.07 55.80 1t3g s TYR 411 Cb -0.20 -0.44 -0.03 0.00 -0.00 0.00 0.00 41.96 41.29 1t3g s TYR 411 CO -0.02 -0.77 -0.25 0.99 -0.00 0.00 0.00 175.55 175.50 1t3g s THR 412 N -3.93 2.06 -0.04 -3.49 2.01 -1.26 -5.05 115.64 105.93 1t3g s THR 412 Ca 0.36 -1.43 0.08 0.00 0.31 0.00 0.00 61.69 61.02 1t3g s THR 412 Cb 0.04 -1.78 0.14 0.00 0.01 0.00 0.00 72.50 70.91 1t3g s THR 412 CO 0.15 0.27 1.07 2.29 -0.69 0.00 0.00 174.62 177.71 1t3g n LYS 413 N 1.61 0.42 0.00 4.92 2.85 -1.26 -4.81 118.16 121.88 1t3g n LYS 413 Ca -0.17 -1.64 0.00 0.00 -1.05 0.00 0.00 58.31 55.45 1t3g n LYS 413 Cb 0.52 -0.76 0.00 0.00 -0.65 0.00 0.00 35.03 34.14 1t3g n LYS 413 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1t3g n VAL 414 N -0.38 0.00 0.00 0.58 0.31 -1.26 -5.20 118.33 112.37 1t3g n VAL 414 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1t3g n VAL 414 Cb 0.73 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.66 1t3g n VAL 414 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1t3g n THR 423 N 0.00 0.00 0.00 2.52 5.66 -1.26 -5.28 114.28 115.92 1t3g n THR 423 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1t3g n THR 423 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1t3g n THR 423 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1t3g n GLY 424 N -0.32 2.20 0.12 1.09 0.00 -1.26 -4.56 105.19 102.46 1t3g n GLY 424 Ca 0.00 -0.53 -0.19 0.00 0.00 0.00 0.00 46.02 45.30 1t3g n GLY 424 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1t3g h GLU 425 N 0.00 0.29 -0.46 1.61 4.39 -2.04 -2.42 114.58 115.95 1t3g h GLU 425 Ca 0.00 -0.44 -0.01 0.00 0.34 0.00 0.00 59.36 59.25 1t3g h GLU 425 Cb 0.00 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1t3g h GLU 425 CO 0.00 1.18 0.24 0.93 -1.16 0.00 0.00 179.01 180.20 1t3g h GLU 426 N -0.37 0.64 -0.04 2.33 5.08 -1.94 -0.06 114.58 120.21 1t3g h GLU 426 Ca -0.11 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1t3g h GLU 426 Cb 1.49 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1t3g h GLU 426 CO 0.13 0.48 -0.08 1.49 -1.00 0.00 0.00 179.01 180.03 1t3g h GLU 427 N 0.64 0.12 -0.20 2.33 4.81 -1.89 -2.29 114.58 118.11 1t3g h GLU 427 Ca 0.16 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1t3g h GLU 427 Cb 0.04 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1t3g h GLU 427 CO -0.03 0.67 -0.03 -0.09 -0.73 0.00 0.00 179.01 178.80 1t3g h ARG 428 N -0.41 0.29 0.17 1.92 2.43 -1.17 -1.40 114.38 116.22 1t3g h ARG 428 Ca 0.00 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1t3g h ARG 428 Cb 0.67 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1t3g h ARG 428 CO 0.02 0.35 -0.08 0.35 -1.51 0.00 0.00 179.97 179.09 1t3g h PHE 429 N 0.28 -0.21 -0.44 2.20 3.57 -0.96 0.66 116.94 122.04 1t3g h PHE 429 Ca 0.06 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.43 1t3g h PHE 429 Cb 0.25 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1t3g h PHE 429 CO 0.00 0.13 -0.24 0.00 -2.23 0.00 0.00 178.31 175.97 1t3g h ALA 430 N 0.15 0.73 0.00 2.41 0.00 -1.25 0.37 119.26 121.67 1t3g h ALA 430 Ca -0.02 -0.40 -0.20 0.00 0.00 0.00 0.00 54.91 54.29 1t3g h ALA 430 Cb 0.44 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1t3g h ALA 430 CO 0.04 0.67 -1.39 -0.07 0.00 0.00 0.00 179.25 178.50 1t3g h LEU 431 N 0.79 0.00 0.00 0.00 4.07 -1.36 -3.41 115.31 115.40 1t3g h LEU 431 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1t3g h LEU 431 Cb 0.81 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.55 1t3g h LEU 431 CO 0.07 0.73 0.00 -0.62 -1.08 0.00 0.00 178.44 177.53 1t3g n GLU 432 N -3.00 0.00 -0.02 1.13 1.02 -0.19 -4.74 120.64 114.84 1t3g n GLU 432 Ca -0.10 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 56.94 1t3g n GLU 432 Cb 0.90 -0.21 -0.03 0.00 -0.02 0.00 0.00 31.44 32.08 1t3g n GLU 432 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1t3g h ILE 433 N 0.00 0.33 0.14 -3.67 2.04 -0.90 0.08 117.51 115.53 1t3g h ILE 433 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 1t3g h ILE 433 Cb 0.00 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 1t3g h ILE 433 CO 0.00 0.00 -0.28 0.25 0.00 0.00 0.00 178.15 178.12 1t3g h LEU 434 N -0.34 -0.80 -0.84 1.44 5.85 -0.49 -2.91 115.31 117.23 1t3g h LEU 434 Ca 0.11 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1t3g h LEU 434 Cb 0.51 0.30 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 1t3g h LEU 434 CO -0.36 -0.38 0.45 -0.65 -0.34 0.00 0.00 178.44 177.16 1t3g h PRO 435 N -0.51 1.17 -0.32 5.25 0.11 -1.75 -1.65 132.00 134.31 1t3g h PRO 435 Ca 0.03 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1t3g h PRO 435 Cb 0.53 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.41 1t3g h PRO 435 CO -0.15 0.87 0.00 -0.25 -0.21 0.00 0.00 178.00 178.26 1t3g n ASP 436 N -4.38 0.24 0.00 -2.05 8.00 0.00 -0.99 116.55 117.37 1t3g n ASP 436 Ca 0.08 -0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.16 1t3g n ASP 436 Cb 0.10 -0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1t3g n ASP 436 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1t3g n LEU 438 N 0.43 0.00 0.01 0.64 4.77 -0.62 0.19 117.00 122.41 1t3g n LEU 438 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 1t3g n LEU 438 Cb 0.06 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.01 1t3g n LEU 438 CO 0.00 0.00 -0.19 -0.33 -1.33 0.00 0.00 177.39 175.54 1t3g h GLU 439 N 0.00 0.22 0.00 3.23 5.08 -1.24 0.00 114.58 121.88 1t3g h GLU 439 Ca 0.00 -0.38 -0.22 0.00 -1.00 0.00 0.00 59.36 57.76 1t3g h GLU 439 Cb 0.00 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1t3g h GLU 439 CO 0.00 1.18 -1.39 0.87 -1.00 0.00 0.00 179.01 178.67 1t3g h LYS 440 N -0.44 0.00 0.01 2.33 1.79 -0.44 -2.83 116.57 116.98 1t3g h LYS 440 Ca -0.22 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 57.91 1t3g h LYS 440 Cb 1.62 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 32.22 1t3g h LYS 440 CO 0.07 0.48 -1.86 1.58 -1.08 0.00 0.00 179.45 178.64 1t3g n HIS 441 N -3.04 0.63 0.08 -1.35 -0.00 -1.11 -4.57 115.22 105.85 1t3g n HIS 441 Ca -0.10 0.24 0.07 0.00 0.46 0.00 0.00 57.72 58.39 1t3g n HIS 441 Cb 0.93 -1.07 -0.03 0.00 -0.12 0.00 0.00 29.99 29.70 1t3g n HIS 441 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 1t3g h TYR 442 N -0.84 0.00 0.00 1.57 0.05 -1.78 -3.49 116.97 112.48 1t3g h TYR 442 Ca -0.50 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.28 1t3g h TYR 442 Cb 1.52 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.26 1t3g h TYR 442 CO 0.03 0.22 0.00 0.41 -1.05 0.00 0.00 178.16 177.77 1t3g n GLY 443 N 1.26 0.52 3.83 3.88 0.00 -0.86 -4.99 105.19 108.83 1t3g n GLY 443 Ca -0.04 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 1t3g n GLY 443 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t3g s TYR 444 N -2.00 3.27 -0.40 1.61 1.51 -0.07 -4.95 117.35 116.33 1t3g s TYR 444 Ca 0.00 1.47 -0.12 0.00 -1.01 0.00 0.00 57.07 57.41 1t3g s TYR 444 Cb 0.00 -2.87 0.04 0.00 -0.11 0.00 0.00 41.96 39.02 1t3g s TYR 444 CO 0.00 -0.73 0.25 0.21 -1.11 0.00 0.00 175.55 174.17 1t3g s LYS 445 N -4.23 2.82 0.13 -0.62 2.20 -1.26 -4.24 119.74 114.54 1t3g s LYS 445 Ca 0.60 -1.16 0.02 0.00 -0.36 0.00 0.00 55.97 55.08 1t3g s LYS 445 Cb -0.13 -3.82 -0.04 0.00 -1.51 0.00 0.00 37.83 32.34 1t3g s LYS 445 CO 0.37 -0.78 0.24 -0.51 -0.36 0.00 0.00 175.35 174.31 1t3g s LEU 446 N 1.56 4.25 -0.35 5.43 1.43 -1.26 -0.32 118.68 129.42 1t3g s LEU 446 Ca 0.03 0.15 -0.07 0.00 -1.03 0.00 0.00 54.13 53.21 1t3g s LEU 446 Cb -0.20 -2.84 0.05 0.00 0.03 0.00 0.00 46.19 43.22 1t3g s LEU 446 CO 0.07 0.09 0.13 0.12 0.23 0.00 0.00 176.35 176.98 1t3g s PHE 447 N -1.67 3.28 -0.36 0.29 5.36 -0.57 -4.98 117.98 119.33 1t3g s PHE 447 Ca 0.34 -1.47 -0.05 0.00 -0.96 0.00 0.00 56.93 54.80 1t3g s PHE 447 Cb -0.11 -2.42 0.07 0.00 -0.34 0.00 0.00 43.02 40.22 1t3g s PHE 447 CO 0.27 -0.75 0.13 0.42 -1.46 0.00 0.00 175.22 173.83 1t3g s ILE 448 N 1.40 3.49 0.23 3.12 1.01 -1.26 -1.68 121.20 127.51 1t3g s ILE 448 Ca -0.00 -1.51 -0.15 0.00 0.00 0.00 0.00 60.65 58.98 1t3g s ILE 448 Cb -0.20 -3.13 0.27 0.00 0.01 0.00 0.00 42.46 39.42 1t3g s ILE 448 CO 0.03 -0.36 1.57 -0.65 0.00 0.00 0.00 174.94 175.52 1t3g h PRO 449 N 8.14 -0.03 0.00 2.79 0.11 -1.93 0.84 132.00 141.92 1t3g h PRO 449 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1t3g h PRO 449 Cb 1.07 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1t3g h PRO 449 CO 0.64 -0.02 0.00 -0.44 -0.21 0.00 0.00 178.00 177.96 1t3g h ASP 450 N -0.03 0.00 0.00 -2.05 3.32 -1.94 0.46 116.42 116.17 1t3g h ASP 450 Ca 0.36 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 57.18 1t3g h ASP 450 Cb 0.61 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.12 1t3g h ASP 450 CO -0.91 0.00 -1.87 -1.14 -1.72 0.00 0.00 179.24 173.60 1t3g n ARG 451 N -2.79 1.00 -0.00 3.56 0.63 0.78 -4.77 116.66 115.06 1t3g n ARG 451 Ca -0.02 0.05 0.07 0.00 -0.92 0.00 0.00 57.85 57.03 1t3g n ARG 451 Cb 0.06 -1.31 -0.09 0.00 0.45 0.00 0.00 32.46 31.56 1t3g n ARG 451 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1t3g n ASP 452 N -2.77 0.97 -4.54 6.15 8.00 0.26 -5.00 116.55 119.62 1t3g n ASP 452 Ca -0.25 -0.58 -0.34 0.00 0.71 0.00 0.00 54.79 54.34 1t3g n ASP 452 Cb 0.83 1.21 -0.11 0.00 -0.02 0.00 0.00 41.12 43.03 1t3g n ASP 452 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1t3g s LEU 453 N -3.10 3.39 -0.63 0.64 2.96 0.16 -4.95 118.68 117.14 1t3g s LEU 453 Ca 0.02 -0.06 -0.17 0.00 -0.22 0.00 0.00 54.13 53.71 1t3g s LEU 453 Cb 0.10 -1.82 0.14 0.00 0.50 0.00 0.00 46.19 45.12 1t3g s LEU 453 CO 0.60 0.20 0.65 -0.63 -1.32 0.00 0.00 176.35 175.84 1t3g s ILE 454 N 0.21 5.16 -0.10 6.68 1.09 -1.26 -4.76 121.20 128.22 1t3g s ILE 454 Ca -0.01 -1.56 -0.32 0.00 -1.10 0.00 0.00 60.65 57.66 1t3g s ILE 454 Cb -0.13 -4.43 -0.10 0.00 -1.06 0.00 0.00 42.46 36.73 1t3g s ILE 454 CO 0.02 -1.01 1.99 -2.65 -0.10 0.00 0.00 174.94 173.19 1t3g n PRO 455 N 5.36 2.22 -0.37 2.79 -0.02 -1.26 -4.88 135.00 138.84 1t3g n PRO 455 Ca -0.05 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1t3g n PRO 455 Cb 0.43 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 1t3g n PRO 455 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1t3g n THR 456 N 5.84 0.00 0.41 3.45 -2.24 -1.26 -5.00 114.28 115.48 1t3g n THR 456 Ca 0.25 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.13 1t3g n THR 456 Cb 0.34 0.00 0.44 0.00 -2.10 0.00 0.00 70.33 69.01 1t3g n THR 456 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t3g n GLY 457 N 0.00 -1.17 0.84 3.38 0.00 -1.26 -2.46 105.19 104.52 1t3g n GLY 457 Ca 0.00 0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.12 1t3g n GLY 457 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1t3g n THR 458 N -2.02 2.31 -0.25 2.61 -2.24 -1.26 -4.82 114.28 108.61 1t3g n THR 458 Ca 0.02 -2.23 -0.07 0.00 -2.27 0.00 0.00 64.05 59.51 1t3g n THR 458 Cb 0.20 -0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.14 1t3g n THR 458 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1t3g h TYR 459 N 1.27 -1.23 -0.64 4.78 3.20 -1.82 0.36 116.97 122.89 1t3g h TYR 459 Ca 0.07 0.09 0.06 0.00 3.14 0.00 0.00 58.73 62.08 1t3g h TYR 459 Cb 1.44 0.63 -0.05 0.00 1.54 0.00 0.00 36.73 40.29 1t3g h TYR 459 CO 0.59 -0.41 0.35 0.82 -1.64 0.00 0.00 178.16 177.87 1t3g h ILE 460 N -0.16 0.96 -0.23 1.81 1.08 -1.88 -0.93 117.51 118.17 1t3g h ILE 460 Ca 0.21 -0.22 -0.13 0.00 -0.39 0.00 0.00 64.86 64.34 1t3g h ILE 460 Cb 0.56 0.26 -0.01 0.00 -3.07 0.00 0.00 36.82 34.55 1t3g h ILE 460 CO -0.75 0.12 -0.38 -0.08 -0.69 0.00 0.00 178.15 176.36 1t3g h GLU 461 N 0.65 0.53 -0.34 2.37 4.81 -1.65 -2.78 114.58 118.16 1t3g h GLU 461 Ca 0.29 -0.26 -0.12 0.00 -0.13 0.00 0.00 59.36 59.14 1t3g h GLU 461 Cb 0.18 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1t3g h GLU 461 CO -0.18 0.83 -0.27 -0.44 -0.73 0.00 0.00 179.01 178.22 1t3g h ASP 462 N 0.44 0.72 -0.11 1.04 3.32 0.51 -1.89 116.42 120.45 1t3g h ASP 462 Ca 0.04 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 1t3g h ASP 462 Cb 0.87 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.21 1t3g h ASP 462 CO 0.07 0.95 0.03 0.58 -1.72 0.00 0.00 179.24 179.15 1t3g h VAL 463 N 0.61 1.20 -0.93 -1.35 2.07 -1.13 -0.40 116.25 116.32 1t3g h VAL 463 Ca 0.08 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 67.01 1t3g h VAL 463 Cb 0.77 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 1t3g h VAL 463 CO 0.06 0.18 0.61 0.00 0.02 0.00 0.00 177.57 178.44 1t3g h ALA 464 N 0.82 1.22 -0.05 1.67 0.00 -1.41 -0.02 119.26 121.48 1t3g h ALA 464 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1t3g h ALA 464 Cb 0.26 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1t3g h ALA 464 CO 0.00 0.50 -0.00 -0.09 0.00 0.00 0.00 179.25 179.66 1t3g h ARG 465 N 1.20 0.09 -0.26 0.00 2.43 -1.20 -1.89 114.38 114.73 1t3g h ARG 465 Ca 0.36 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.47 1t3g h ARG 465 Cb -0.03 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1t3g h ARG 465 CO -0.11 0.39 -0.00 0.00 -1.51 0.00 0.00 179.97 178.74 1t3g h VAL 467 N 0.38 1.32 -0.14 0.00 2.07 -0.95 -2.67 116.25 116.24 1t3g h VAL 467 Ca 0.09 -1.26 0.04 0.00 0.82 0.00 0.00 66.70 66.39 1t3g h VAL 467 Cb 0.26 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1t3g h VAL 467 CO 0.01 0.39 0.11 -0.78 0.02 0.00 0.00 177.57 177.31 1t3g h ASP 468 N 0.17 0.00 -0.26 0.57 3.58 -0.75 0.12 116.42 119.85 1t3g h ASP 468 Ca 0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1t3g h ASP 468 Cb 0.67 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.72 1t3g h ASP 468 CO 0.04 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.40 1t3g n GLN 469 N -4.40 1.66 -4.39 0.28 6.02 -0.49 -4.75 117.38 111.31 1t3g n GLN 469 Ca 0.00 -1.02 -0.31 0.00 -0.01 0.00 0.00 57.00 55.66 1t3g n GLN 469 Cb 0.23 -1.26 -0.10 0.00 1.02 0.00 0.00 30.24 30.13 1t3g n GLN 469 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1t3g s SER 470 N -1.12 4.59 0.37 1.08 0.01 0.43 -1.06 113.70 118.00 1t3g s SER 470 Ca 0.22 -0.20 0.26 0.00 1.31 0.00 0.00 55.95 57.54 1t3g s SER 470 Cb 0.12 -1.03 0.80 0.00 0.21 0.00 0.00 66.02 66.12 1t3g s SER 470 CO 0.16 0.25 1.76 0.11 0.41 0.00 0.00 173.24 175.93 1t3g h LYS 471 N 4.25 0.00 -3.27 12.44 1.57 -0.74 -3.43 116.57 127.40 1t3g h LYS 471 Ca -0.48 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.21 1t3g h LYS 471 Cb 1.17 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.31 1t3g h LYS 471 CO 0.54 0.00 -0.22 1.03 -0.57 0.00 0.00 179.45 180.23 1t3g s ARG 472 N -3.30 0.84 -0.21 3.15 1.81 -0.93 -4.53 118.95 115.79 1t3g s ARG 472 Ca 0.06 -0.50 -0.00 0.00 -1.72 0.00 0.00 55.73 53.57 1t3g s ARG 472 Cb 0.09 0.37 0.02 0.00 -0.45 0.00 0.00 34.95 34.97 1t3g s ARG 472 CO 0.58 -0.28 -0.13 -1.17 -0.68 0.00 0.00 175.30 173.62 1t3g s LEU 473 N -2.10 2.62 -0.24 2.53 2.96 -0.57 -0.22 118.68 123.66 1t3g s LEU 473 Ca -0.04 -0.71 -0.08 0.00 -0.22 0.00 0.00 54.13 53.08 1t3g s LEU 473 Cb -0.01 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 1t3g s LEU 473 CO -0.04 -0.05 0.09 -0.63 -1.32 0.00 0.00 176.35 174.41 1t3g s ILE 474 N 1.32 4.63 -0.27 6.68 1.01 0.42 -0.54 121.20 134.45 1t3g s ILE 474 Ca 0.03 -0.07 -0.07 0.00 0.00 0.00 0.00 60.65 60.54 1t3g s ILE 474 Cb -0.15 -3.16 -0.01 0.00 0.01 0.00 0.00 42.46 39.15 1t3g s ILE 474 CO -0.09 0.35 0.08 -0.63 0.00 0.00 0.00 174.94 174.65 1t3g s ILE 475 N 1.37 4.20 0.23 2.92 1.01 0.02 0.00 121.20 130.94 1t3g s ILE 475 Ca 0.06 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.32 1t3g s ILE 475 Cb -0.15 -3.06 0.04 0.00 0.01 0.00 0.00 42.46 39.30 1t3g s ILE 475 CO 0.05 0.21 0.32 0.52 0.00 0.00 0.00 174.94 176.03 1t3g n VAL 476 N 4.91 0.00 0.00 2.92 0.31 -0.13 -0.73 118.33 125.61 1t3g n VAL 476 Ca -0.15 -0.67 0.00 0.00 -0.01 0.00 0.00 64.34 63.51 1t3g n VAL 476 Cb 0.50 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 1t3g n VAL 476 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1t3g n THR 478 N -1.60 0.00 -0.26 2.52 -2.24 -1.26 -4.65 114.28 106.79 1t3g n THR 478 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1t3g n THR 478 Cb 0.22 0.00 0.13 0.00 -2.10 0.00 0.00 70.33 68.58 1t3g n THR 478 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1t3g h PRO 479 N 0.00 0.69 -0.16 -0.78 0.11 -1.95 -1.93 132.00 127.98 1t3g h PRO 479 Ca 0.00 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 1t3g h PRO 479 Cb 0.00 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 1t3g h PRO 479 CO 0.00 0.46 -0.10 -0.91 -0.21 0.00 0.00 178.00 177.24 1t3g h ASN 480 N 0.71 0.23 -0.41 -2.05 2.35 -1.97 -1.61 115.58 112.84 1t3g h ASN 480 Ca 0.34 -0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.95 1t3g h ASN 480 Cb 0.27 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1t3g h ASN 480 CO -0.22 0.37 -0.10 0.22 -1.65 0.00 0.00 177.43 176.05 1t3g h TYR 481 N 0.24 0.95 -0.12 1.19 5.03 -1.68 0.24 116.97 122.82 1t3g h TYR 481 Ca 0.05 -0.18 -0.03 0.00 2.58 0.00 0.00 58.73 61.15 1t3g h TYR 481 Cb 0.33 -0.24 -0.00 0.00 1.55 0.00 0.00 36.73 38.37 1t3g h TYR 481 CO 0.01 0.91 -0.04 0.28 -1.32 0.00 0.00 178.16 177.99 1t3g h VAL 482 N 0.78 1.31 -0.52 1.81 2.07 -0.98 0.15 116.25 120.87 1t3g h VAL 482 Ca 0.13 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 1t3g h VAL 482 Cb 0.60 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 1t3g h VAL 482 CO 0.04 0.30 0.29 0.58 0.02 0.00 0.00 177.57 178.80 1t3g h VAL 483 N -0.10 1.17 -0.01 2.57 2.07 -1.16 -2.56 116.25 118.24 1t3g h VAL 483 Ca 0.03 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1t3g h VAL 483 Cb 0.49 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1t3g h VAL 483 CO 0.01 0.18 -0.11 0.54 0.02 0.00 0.00 177.57 178.21 1t3g n ARG 484 N -4.65 1.13 -3.74 1.57 5.12 0.06 -4.95 116.66 111.20 1t3g n ARG 484 Ca 0.02 -0.59 -0.27 0.00 -1.93 0.00 0.00 57.85 55.09 1t3g n ARG 484 Cb 0.08 -1.49 0.03 0.00 -1.16 0.00 0.00 32.46 29.91 1t3g n ARG 484 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1t3g n ARG 485 N -0.42 -2.61 0.02 5.56 1.74 0.38 -4.80 116.66 116.53 1t3g n ARG 485 Ca 0.16 0.50 0.01 0.00 -0.77 0.00 0.00 57.85 57.75 1t3g n ARG 485 Cb 0.32 -4.53 0.07 0.00 -1.02 0.00 0.00 32.46 27.30 1t3g n ARG 485 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1t3g n GLY 486 N -1.72 -0.49 0.11 -0.13 0.00 -0.38 -1.32 105.19 101.26 1t3g n GLY 486 Ca -0.20 0.02 0.12 0.00 0.00 0.00 0.00 46.02 45.97 1t3g n GLY 486 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1t3g n TRP 487 N -1.55 0.00 -0.29 1.61 4.27 -1.26 -4.47 117.44 115.75 1t3g n TRP 487 Ca -0.00 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.72 1t3g n TRP 487 Cb 0.06 -0.19 0.27 0.00 -1.36 0.00 0.00 31.31 30.09 1t3g n TRP 487 CO 0.00 0.00 0.00 0.77 -2.29 0.00 0.00 177.69 176.17 1t3g h SER 488 N 0.54 0.26 -0.48 -0.67 0.02 -1.55 -1.69 113.55 109.97 1t3g h SER 488 Ca 0.00 0.15 0.05 0.00 -0.84 0.00 0.00 61.79 61.15 1t3g h SER 488 Cb 0.50 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.16 1t3g h SER 488 CO 0.00 0.01 0.32 -0.29 -1.14 0.00 0.00 176.83 175.73 1t3g h ILE 489 N 0.38 1.00 0.00 3.27 2.10 -1.84 0.16 117.51 122.59 1t3g h ILE 489 Ca 0.51 -0.16 -0.01 0.00 1.08 0.00 0.00 64.86 66.29 1t3g h ILE 489 Cb 0.94 0.50 -0.00 0.00 -1.09 0.00 0.00 36.82 37.16 1t3g h ILE 489 CO -0.51 0.08 -0.02 -0.26 -1.08 0.00 0.00 178.15 176.36 1t3g h PHE 490 N 0.46 0.00 0.00 2.19 0.04 -1.63 -1.03 116.94 116.97 1t3g h PHE 490 Ca 0.20 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.64 1t3g h PHE 490 Cb 0.23 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.31 1t3g h PHE 490 CO -0.00 0.02 -2.19 0.39 -0.60 0.00 0.00 178.31 175.93 1t3g n GLU 491 N -3.14 0.67 0.00 1.51 -0.58 -0.28 -2.28 120.64 116.53 1t3g n GLU 491 Ca -0.00 0.06 -0.13 0.00 -0.42 0.00 0.00 57.16 56.67 1t3g n GLU 491 Cb 0.27 -1.59 -0.10 0.00 -0.57 0.00 0.00 31.44 29.46 1t3g n GLU 491 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1t3g h LEU 492 N 0.00 -0.03 -8.96 -4.62 5.85 -0.37 -3.43 115.31 103.75 1t3g h LEU 492 Ca -0.46 -0.46 -0.57 0.00 0.84 0.00 0.00 57.88 57.23 1t3g h LEU 492 Cb 2.14 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 43.14 1t3g h LEU 492 CO 0.04 0.45 1.08 -0.70 -0.34 0.00 0.00 178.44 178.97 1t3g s GLU 493 N -4.23 3.77 0.27 1.25 -6.30 -0.43 -4.92 118.70 108.11 1t3g s GLU 493 Ca -0.16 1.39 -0.00 0.00 -2.50 0.00 0.00 54.97 53.70 1t3g s GLU 493 Cb 0.02 -3.99 0.60 0.00 0.00 0.00 0.00 34.13 30.75 1t3g s GLU 493 CO 0.66 -1.31 1.69 1.15 0.02 0.00 0.00 175.26 177.46 1t3g h THR 494 N 6.18 0.49 -0.34 -1.70 2.02 -1.90 -0.32 112.91 117.33 1t3g h THR 494 Ca -0.30 -0.12 -0.16 0.00 0.77 0.00 0.00 66.41 66.60 1t3g h THR 494 Cb 1.13 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1t3g h THR 494 CO 1.03 0.06 -0.41 -0.09 0.37 0.00 0.00 175.52 176.48 1t3g h ARG 495 N 0.34 0.89 -0.33 6.66 2.43 -1.95 -2.10 114.38 120.31 1t3g h ARG 495 Ca 0.49 -0.50 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1t3g h ARG 495 Cb 0.89 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 1t3g h ARG 495 CO -0.52 1.14 0.08 -0.07 -1.51 0.00 0.00 179.97 179.09 1t3g h LEU 496 N 0.69 0.50 -0.73 3.80 3.38 -1.62 -2.96 115.31 118.37 1t3g h LEU 496 Ca 0.05 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1t3g h LEU 496 Cb 1.01 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1t3g h LEU 496 CO 0.10 0.60 0.48 -0.09 0.09 0.00 0.00 178.44 179.62 1t3g h ARG 497 N 0.38 0.94 -1.74 1.13 2.43 -0.65 0.04 114.38 116.91 1t3g h ARG 497 Ca 0.10 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1t3g h ARG 497 Cb 0.29 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1t3g h ARG 497 CO 0.00 0.62 0.00 -1.71 -1.51 0.00 0.00 179.97 177.38 1t3g n ASN 498 N -4.59 0.79 0.00 -3.80 5.15 -0.79 -1.21 115.26 110.81 1t3g n ASN 498 Ca 0.07 -0.54 0.00 0.00 -0.60 0.00 0.00 54.58 53.51 1t3g n ASN 498 Cb 0.03 -0.13 0.00 0.00 -0.53 0.00 0.00 39.78 39.15 1t3g n ASN 498 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1t3g n LEU 500 N 0.89 0.00 -0.15 1.20 4.77 -0.00 -0.30 117.00 123.41 1t3g n LEU 500 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 1t3g n LEU 500 Cb 0.13 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.38 1t3g n LEU 500 CO 0.00 0.00 0.94 0.58 -1.33 0.00 0.00 177.39 177.58 1t3g h VAL 501 N 0.00 1.24 0.00 4.08 2.07 -0.82 -1.73 116.25 121.09 1t3g h VAL 501 Ca 0.00 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1t3g h VAL 501 Cb 0.00 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1t3g h VAL 501 CO 0.00 0.33 0.00 0.74 0.02 0.00 0.00 177.57 178.66 1t3g h THR 502 N 0.84 0.00 0.00 2.57 2.02 -0.90 -3.39 112.91 114.05 1t3g h THR 502 Ca 0.18 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.61 1t3g h THR 502 Cb 0.35 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1t3g h THR 502 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1t3g n GLY 503 N 1.07 0.79 0.18 2.16 0.00 -1.16 -4.95 105.19 103.28 1t3g n GLY 503 Ca 0.04 -0.66 0.12 0.00 0.00 0.00 0.00 46.02 45.52 1t3g n GLY 503 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1t3g h GLU 504 N 0.00 0.00 -4.93 1.61 4.39 -1.85 -3.45 114.58 110.35 1t3g h GLU 504 Ca 0.00 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.10 1t3g h GLU 504 Cb 0.56 0.00 -0.34 0.00 -0.10 0.00 0.00 28.75 28.87 1t3g h GLU 504 CO 0.00 0.00 -0.85 0.42 -1.16 0.00 0.00 179.01 177.42 1t3g s ILE 505 N -3.25 1.62 -0.24 3.13 -1.09 -1.26 -5.03 121.20 115.08 1t3g s ILE 505 Ca 0.05 -0.75 -0.20 0.00 -2.23 0.00 0.00 60.65 57.51 1t3g s ILE 505 Cb 0.07 -1.44 -0.02 0.00 -1.58 0.00 0.00 42.46 39.49 1t3g s ILE 505 CO 0.71 0.46 0.61 -0.54 -1.23 0.00 0.00 174.94 174.95 1t3g s LYS 506 N 0.61 4.13 -0.14 2.79 1.02 -1.26 -4.40 119.74 122.50 1t3g s LYS 506 Ca -0.14 0.54 -0.04 0.00 0.02 0.00 0.00 55.97 56.35 1t3g s LYS 506 Cb -0.16 -3.63 -0.03 0.00 -0.52 0.00 0.00 37.83 33.48 1t3g s LYS 506 CO 0.04 -0.36 -0.02 0.08 -0.92 0.00 0.00 175.35 174.18 1t3g s VAL 507 N 2.32 4.12 -0.33 3.17 1.01 0.63 -1.52 120.40 129.80 1t3g s VAL 507 Ca 0.26 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 1t3g s VAL 507 Cb -0.16 -2.79 0.05 0.00 0.00 0.00 0.00 36.38 33.49 1t3g s VAL 507 CO 0.09 0.52 0.07 -0.63 0.00 0.00 0.00 175.10 175.14 1t3g s ILE 508 N 0.04 3.37 -0.33 2.22 1.01 0.30 -1.37 121.20 126.43 1t3g s ILE 508 Ca 0.02 -1.34 -0.12 0.00 0.00 0.00 0.00 60.65 59.21 1t3g s ILE 508 Cb -0.13 -2.96 -0.01 0.00 0.01 0.00 0.00 42.46 39.36 1t3g s ILE 508 CO 0.02 -0.20 0.21 -0.22 0.00 0.00 0.00 174.94 174.75 1t3g s LEU 509 N 1.31 4.39 -0.33 2.97 0.20 -0.31 -0.80 118.68 126.11 1t3g s LEU 509 Ca -0.02 -0.48 -0.12 0.00 0.69 0.00 0.00 54.13 54.19 1t3g s LEU 509 Cb -0.20 -2.09 -0.02 0.00 -0.43 0.00 0.00 46.19 43.45 1t3g s LEU 509 CO 0.00 -0.23 0.23 -0.63 -0.29 0.00 0.00 176.35 175.43 1t3g s ILE 510 N 1.68 5.26 -0.31 6.68 1.01 0.09 -1.17 121.20 134.43 1t3g s ILE 510 Ca 0.05 -0.15 -0.24 0.00 0.00 0.00 0.00 60.65 60.32 1t3g s ILE 510 Cb -0.17 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.64 1t3g s ILE 510 CO 0.09 0.05 0.80 -1.61 0.00 0.00 0.00 174.94 174.26 1t3g s GLU 511 N 1.73 3.94 -0.23 2.79 2.02 -0.11 -4.52 118.70 124.32 1t3g s GLU 511 Ca 0.06 0.57 0.10 0.00 0.02 0.00 0.00 54.97 55.73 1t3g s GLU 511 Cb -0.17 -3.74 0.44 0.00 0.10 0.00 0.00 34.13 30.76 1t3g s GLU 511 CO 0.10 -0.71 1.20 0.00 0.02 0.00 0.00 175.26 175.88 1t3g s SER 513 N -3.33 -0.47 -0.31 0.00 1.04 -1.26 -4.25 113.70 105.12 1t3g s SER 513 Ca 0.42 0.78 -0.29 0.00 0.48 0.00 0.00 55.95 57.34 1t3g s SER 513 Cb 0.38 1.10 -0.00 0.00 0.10 0.00 0.00 66.02 67.61 1t3g s SER 513 CO -0.03 -0.13 1.36 -0.70 0.98 0.00 0.00 173.24 174.72 1t3g s GLU 514 N 1.07 3.85 -0.62 4.02 2.56 -1.26 -4.89 118.70 123.43 1t3g s GLU 514 Ca -0.06 1.25 -0.26 0.00 0.00 0.00 0.00 54.97 55.90 1t3g s GLU 514 Cb -0.04 -3.92 -0.07 0.00 2.00 0.00 0.00 34.13 32.10 1t3g s GLU 514 CO -0.13 -1.21 2.27 -0.51 -0.56 0.00 0.00 175.26 175.12 1t3g s LEU 515 N 4.64 3.24 -0.25 2.70 1.43 -1.26 -4.92 118.68 124.26 1t3g s LEU 515 Ca 0.59 0.55 -0.19 0.00 -1.03 0.00 0.00 54.13 54.05 1t3g s LEU 515 Cb -0.17 -2.52 -0.02 0.00 0.03 0.00 0.00 46.19 43.50 1t3g s LEU 515 CO 0.25 -3.02 0.57 -0.60 0.23 0.00 0.00 176.35 173.78 1t3g s ARG 516 N 8.09 4.10 0.00 1.70 6.06 -1.26 -4.72 118.95 132.92 1t3g s ARG 516 Ca 0.88 0.45 0.00 0.00 -2.50 0.00 0.00 55.73 54.56 1t3g s ARG 516 Cb -0.14 -3.64 0.00 0.00 0.06 0.00 0.00 34.95 31.23 1t3g s ARG 516 CO 0.18 -0.36 0.00 0.41 -2.50 0.00 0.00 175.30 173.03 1t3g n GLY 517 N 4.23 3.82 0.16 8.12 0.00 -1.26 -4.77 105.19 115.48 1t3g n GLY 517 Ca -0.02 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1t3g n GLY 517 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1t3g n ILE 518 N 0.00 0.00 0.00 -0.61 -6.64 -1.26 -1.07 119.36 109.77 1t3g n ILE 518 Ca 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 1t3g n ILE 518 Cb 0.00 -0.34 0.00 0.00 -1.44 0.00 0.00 39.64 37.86 1t3g n ILE 518 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 1t3g n ASN 520 N -0.11 0.00 0.01 7.28 3.02 -1.26 -1.26 115.26 122.93 1t3g n ASN 520 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 1t3g n ASN 520 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1t3g n ASN 520 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1t3g h TYR 521 N 0.00 -0.47 -0.25 3.10 5.03 -1.39 0.13 116.97 123.13 1t3g h TYR 521 Ca 0.00 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.27 1t3g h TYR 521 Cb 0.00 0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.49 1t3g h TYR 521 CO 0.00 -0.26 -0.13 1.96 -1.32 0.00 0.00 178.16 178.42 1t3g h GLN 522 N -0.24 0.41 -0.14 1.82 1.08 -1.42 0.13 115.11 116.75 1t3g h GLN 522 Ca 0.09 -0.11 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 1t3g h GLN 522 Cb 0.37 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1t3g h GLN 522 CO -0.25 0.54 -0.01 1.49 -0.95 0.00 0.00 178.83 179.65 1t3g h GLU 523 N 0.39 0.26 -0.77 1.46 4.81 -1.64 0.32 114.58 119.41 1t3g h GLU 523 Ca 0.07 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1t3g h GLU 523 Cb 0.46 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 1t3g h GLU 523 CO 0.03 0.50 0.33 0.28 -0.73 0.00 0.00 179.01 179.42 1t3g h VAL 524 N -0.01 1.25 -0.94 0.32 2.07 -0.45 -0.45 116.25 118.04 1t3g h VAL 524 Ca 0.04 -0.76 0.02 0.00 0.82 0.00 0.00 66.70 66.82 1t3g h VAL 524 Cb 0.39 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 1t3g h VAL 524 CO 0.01 0.31 0.62 -0.33 0.02 0.00 0.00 177.57 178.20 1t3g h GLU 525 N 1.10 1.20 -0.35 1.57 4.39 -0.54 -1.35 114.58 120.60 1t3g h GLU 525 Ca 0.26 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.81 1t3g h GLU 525 Cb 0.18 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 1t3g h GLU 525 CO -0.03 0.80 -0.11 0.00 -1.16 0.00 0.00 179.01 178.51 1t3g h ALA 526 N 1.36 1.15 -0.39 3.43 0.00 0.03 -1.96 119.26 122.88 1t3g h ALA 526 Ca 0.36 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1t3g h ALA 526 Cb -0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1t3g h ALA 526 CO -0.09 0.54 0.15 1.25 0.00 0.00 0.00 179.25 181.09 1t3g h LEU 527 N 0.56 0.54 -0.82 0.00 5.85 -0.24 -2.82 115.31 118.39 1t3g h LEU 527 Ca 0.10 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1t3g h LEU 527 Cb 0.52 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1t3g h LEU 527 CO 0.03 0.57 0.50 0.11 -0.34 0.00 0.00 178.44 179.32 1t3g h LYS 528 N 0.48 1.10 0.00 1.25 1.57 -1.02 -1.98 116.57 117.96 1t3g h LYS 528 Ca 0.13 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1t3g h LYS 528 Cb 0.21 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1t3g h LYS 528 CO -0.01 0.76 0.00 0.72 -0.57 0.00 0.00 179.45 180.35 1t3g n HIS 529 N -4.47 0.00 1.06 -1.35 8.25 -0.76 -1.27 115.22 116.68 1t3g n HIS 529 Ca 0.08 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.66 1t3g n HIS 529 Cb 0.05 -0.49 0.09 0.00 1.12 0.00 0.00 29.99 30.75 1t3g n HIS 529 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1t3g n THR 530 N -1.49 0.00 -3.75 1.59 -2.24 -0.75 -4.84 114.28 102.80 1t3g n THR 530 Ca 0.03 -0.22 -0.38 0.00 -2.27 0.00 0.00 64.05 61.21 1t3g n THR 530 Cb 0.12 1.03 -0.12 0.00 -2.10 0.00 0.00 70.33 69.26 1t3g n THR 530 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1t3g s ILE 531 N -2.50 3.89 -0.04 2.28 1.01 -0.40 -2.45 121.20 122.99 1t3g s ILE 531 Ca 0.20 -0.93 -0.25 0.00 0.00 0.00 0.00 60.65 59.66 1t3g s ILE 531 Cb 0.18 -3.11 -0.20 0.00 0.01 0.00 0.00 42.46 39.34 1t3g s ILE 531 CO 0.57 -0.07 1.16 0.50 0.00 0.00 0.00 174.94 177.10 1t3g h LYS 532 N 8.23 -0.05 -3.56 2.79 3.64 -1.51 -3.36 116.57 122.76 1t3g h LYS 532 Ca -0.27 0.00 -0.79 0.00 -1.27 0.00 0.00 60.65 58.32 1t3g h LYS 532 Cb 1.10 0.01 -0.26 0.00 -0.41 0.00 0.00 32.23 32.68 1t3g h LYS 532 CO 0.61 0.47 0.76 1.28 -2.27 0.00 0.00 179.45 180.30 1t3g n LEU 533 N -4.86 5.79 -4.40 5.20 4.77 -1.26 -4.99 117.00 117.25 1t3g n LEU 533 Ca -0.09 -4.98 -0.31 0.00 -0.03 0.00 0.00 56.01 50.60 1t3g n LEU 533 Cb 0.28 -1.45 -0.14 0.00 -2.33 0.00 0.00 43.42 39.78 1t3g n LEU 533 CO 0.32 1.36 -0.52 -0.22 -1.33 0.00 0.00 177.39 177.00 1t3g s LEU 534 N -1.22 2.40 -0.04 2.23 1.98 -1.26 -0.27 118.68 122.51 1t3g s LEU 534 Ca 0.33 -0.44 0.01 0.00 -2.89 0.00 0.00 54.13 51.14 1t3g s LEU 534 Cb -0.04 -1.43 0.02 0.00 0.66 0.00 0.00 46.19 45.41 1t3g s LEU 534 CO -0.02 0.28 -0.02 0.28 -1.89 0.00 0.00 176.35 174.99 1t3g s THR 535 N -0.80 0.33 -0.12 3.68 -1.32 -0.47 -4.97 115.64 111.96 1t3g s THR 535 Ca 0.12 -0.01 -0.02 0.00 -1.21 0.00 0.00 61.69 60.57 1t3g s THR 535 Cb -0.10 -0.39 -0.03 0.00 -1.51 0.00 0.00 72.50 70.46 1t3g s THR 535 CO 0.02 0.18 -0.04 -0.69 -2.21 0.00 0.00 174.62 171.88 1t3g s VAL 536 N 0.95 3.92 -0.08 5.08 1.01 -1.26 -1.16 120.40 128.87 1t3g s VAL 536 Ca -0.11 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1t3g s VAL 536 Cb -0.14 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.57 1t3g s VAL 536 CO -0.01 0.54 -0.16 -0.63 0.00 0.00 0.00 175.10 174.84 1t3g s ILE 537 N -0.12 1.42 -0.05 2.22 1.01 -0.32 -4.97 121.20 120.38 1t3g s ILE 537 Ca 0.03 -0.64 -0.21 0.00 0.00 0.00 0.00 60.65 59.83 1t3g s ILE 537 Cb -0.13 -1.27 -0.05 0.00 0.01 0.00 0.00 42.46 41.02 1t3g s ILE 537 CO 0.02 0.42 0.59 -0.75 0.00 0.00 0.00 174.94 175.23 1t3g s LYS 538 N 0.61 4.35 -0.38 2.79 2.36 -1.26 -0.93 119.74 127.28 1t3g s LYS 538 Ca -0.15 0.70 -0.05 0.00 -2.55 0.00 0.00 55.97 53.92 1t3g s LYS 538 Cb -0.16 -3.39 0.08 0.00 -1.05 0.00 0.00 37.83 33.30 1t3g s LYS 538 CO 0.05 0.23 0.17 -0.46 1.55 0.00 0.00 175.35 176.89 1t3g s TRP 539 N 0.29 3.41 -0.03 4.03 -0.00 -0.22 -4.91 118.94 121.51 1t3g s TRP 539 Ca 0.32 -1.91 0.19 0.00 -0.00 0.00 0.00 56.10 54.70 1t3g s TRP 539 Cb -0.17 -2.82 0.47 0.00 -0.00 0.00 0.00 33.47 30.95 1t3g s TRP 539 CO 0.16 -0.87 1.63 0.45 -0.00 0.00 0.00 176.95 178.31 1t3g h HIS 540 N 8.18 0.00 0.00 5.86 3.86 -1.96 -3.42 115.15 127.67 1t3g h HIS 540 Ca -0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1t3g h HIS 540 Cb 1.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.54 1t3g h HIS 540 CO 0.59 0.35 0.00 0.41 0.86 0.00 0.00 177.93 180.14 1t3g n GLY 541 N 0.70 -0.72 0.47 2.45 0.00 -1.26 -4.94 105.19 101.88 1t3g n GLY 541 Ca 0.01 -1.59 0.39 0.00 0.00 0.00 0.00 46.02 44.83 1t3g n GLY 541 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1t3g h PRO 542 N 3.23 0.04 -0.42 1.61 0.11 -1.95 0.76 132.00 135.37 1t3g h PRO 542 Ca 0.00 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.18 1t3g h PRO 542 Cb 0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 1t3g h PRO 542 CO 0.00 0.03 0.29 0.87 -0.21 0.00 0.00 178.00 178.98 1t3g h LYS 543 N 0.04 0.24 0.00 1.05 1.79 -2.00 0.25 116.57 117.94 1t3g h LYS 543 Ca 0.86 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.31 1t3g h LYS 543 Cb 2.71 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 33.31 1t3g h LYS 543 CO -0.46 0.16 0.00 0.00 -1.08 0.00 0.00 179.45 178.07 1t3g h ASN 545 N 0.00 0.11 -1.31 0.00 2.35 -0.57 -3.41 115.58 112.74 1t3g h ASN 545 Ca 0.00 -0.08 -0.74 0.00 -0.55 0.00 0.00 56.30 54.93 1t3g h ASN 545 Cb 0.46 -0.03 0.05 0.00 0.05 0.00 0.00 38.32 38.85 1t3g h ASN 545 CO 0.00 0.80 0.27 1.17 -1.65 0.00 0.00 177.43 178.02 1t3g n LYS 546 N -3.72 0.54 -1.61 0.81 4.81 -1.18 -4.79 118.16 113.02 1t3g n LYS 546 Ca -0.02 0.19 -0.46 0.00 -0.87 0.00 0.00 58.31 57.15 1t3g n LYS 546 Cb 0.71 -1.76 -0.03 0.00 0.02 0.00 0.00 35.03 33.97 1t3g n LYS 546 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1t3g n LEU 547 N 2.10 2.02 -1.48 3.14 7.94 -1.26 -2.03 117.00 127.42 1t3g n LEU 547 Ca 0.20 1.16 -0.14 0.00 -1.11 0.00 0.00 56.01 56.11 1t3g n LEU 547 Cb 0.13 -1.29 -0.02 0.00 0.53 0.00 0.00 43.42 42.77 1t3g n LEU 547 CO 0.63 -1.13 -0.17 0.59 -1.11 0.00 0.00 177.39 176.20 1t3g n ASN 548 N 1.77 -4.39 -4.89 1.96 5.03 -1.26 -5.02 115.26 108.46 1t3g n ASN 548 Ca 0.12 0.07 -0.29 0.00 0.87 0.00 0.00 54.58 55.35 1t3g n ASN 548 Cb 0.29 -3.46 0.09 0.00 -1.02 0.00 0.00 39.78 35.68 1t3g n ASN 548 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1t3g s SER 549 N -2.47 4.51 0.42 6.41 1.04 -0.86 -4.82 113.70 117.92 1t3g s SER 549 Ca 0.00 0.83 0.09 0.00 0.48 0.00 0.00 55.95 57.34 1t3g s SER 549 Cb 0.00 -1.35 0.91 0.00 0.10 0.00 0.00 66.02 65.68 1t3g s SER 549 CO 0.00 -1.91 2.06 0.11 0.98 0.00 0.00 173.24 174.48 1t3g h LYS 550 N -1.06 0.48 0.34 4.02 1.57 -1.90 -1.35 116.57 118.68 1t3g h LYS 550 Ca -0.46 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.27 1t3g h LYS 550 Cb 1.32 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1t3g h LYS 550 CO 0.65 0.32 -0.17 0.35 -0.57 0.00 0.00 179.45 180.04 1t3g h PHE 551 N 0.49 -0.43 -0.79 -1.35 3.57 -1.92 -1.51 116.94 115.00 1t3g h PHE 551 Ca 0.15 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 1t3g h PHE 551 Cb 0.01 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 1t3g h PHE 551 CO -0.00 -0.27 0.34 -1.49 -2.23 0.00 0.00 178.31 174.66 1t3g h TRP 552 N -0.46 1.16 -0.48 0.41 -0.00 -1.66 -1.02 115.95 113.90 1t3g h TRP 552 Ca -0.05 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.89 58.76 1t3g h TRP 552 Cb 0.36 -0.35 -0.02 0.00 -0.00 0.00 0.00 29.16 29.14 1t3g h TRP 552 CO -0.06 0.86 0.26 0.87 -0.00 0.00 0.00 178.44 180.38 1t3g h LYS 553 N 1.13 0.66 -0.40 0.49 1.57 -1.16 0.12 116.57 118.99 1t3g h LYS 553 Ca 0.27 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1t3g h LYS 553 Cb 0.17 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1t3g h LYS 553 CO -0.03 0.52 0.19 -0.09 -0.57 0.00 0.00 179.45 179.47 1t3g h ARG 554 N 0.63 0.57 -0.46 3.15 9.65 -0.95 -1.21 114.38 125.77 1t3g h ARG 554 Ca 0.17 -0.09 -0.04 0.00 -1.10 0.00 0.00 59.98 58.93 1t3g h ARG 554 Cb 0.05 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.51 1t3g h ARG 554 CO -0.03 0.51 0.15 1.25 2.80 0.00 0.00 179.97 184.65 1t3g h LEU 555 N 0.50 0.66 -0.66 3.80 5.85 -0.88 -1.72 115.31 122.86 1t3g h LEU 555 Ca 0.14 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.71 1t3g h LEU 555 Cb 0.12 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 1t3g h LEU 555 CO -0.02 0.69 0.37 -0.61 -0.34 0.00 0.00 178.44 178.53 1t3g h GLN 556 N 0.60 0.68 -0.82 1.25 4.15 -0.62 -1.77 115.11 118.58 1t3g h GLN 556 Ca 0.15 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.53 1t3g h GLN 556 Cb 0.26 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.76 1t3g h GLN 556 CO -0.01 0.45 0.53 -0.92 -1.93 0.00 0.00 178.83 176.96 1t3g h TYR 557 N 0.70 1.04 0.00 3.99 3.20 -0.83 -3.43 116.97 121.64 1t3g h TYR 557 Ca 0.29 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.15 1t3g h TYR 557 Cb 0.16 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 1t3g h TYR 557 CO -0.07 0.67 0.01 0.39 -1.64 0.00 0.00 178.16 177.51 1t3g n GLU 558 N -4.50 0.69 -3.42 1.82 -0.58 -0.67 -5.04 120.64 108.95 1t3g n GLU 558 Ca 0.08 -0.16 -0.20 0.00 -0.42 0.00 0.00 57.16 56.46 1t3g n GLU 558 Cb 0.02 -1.39 -0.01 0.00 -0.57 0.00 0.00 31.44 29.50 1t3g n GLU 558 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1t3g s PRO 560 N 1.22 2.53 0.00 3.49 0.04 -1.26 -5.05 135.00 135.97 1t3g s PRO 560 Ca 0.11 -1.55 0.00 0.00 0.04 0.00 0.00 61.00 59.60 1t3g s PRO 560 Cb 0.05 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 32.13 1t3g s PRO 560 CO 0.00 -0.35 0.00 1.19 0.04 0.00 0.00 177.00 177.88