#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 0.17 -4.14 3.14 3.45 -1.71 -3.47 116.42 113.87 1t3g h ASP 404 Ca 0.00 -0.17 -0.40 0.00 0.43 0.00 0.00 57.03 56.89 1t3g h ASP 404 Cb 0.00 -0.06 -0.18 0.00 -0.56 0.00 0.00 39.33 38.53 1t3g h ASP 404 CO 0.00 1.08 -0.76 -0.31 -1.57 0.00 0.00 179.24 177.68 1t3g s TYR 405 N -2.86 1.33 -0.06 4.55 1.51 -0.15 -5.00 117.35 116.67 1t3g s TYR 405 Ca -0.01 -0.57 0.13 0.00 -1.01 0.00 0.00 57.07 55.61 1t3g s TYR 405 Cb 0.09 -0.70 -0.06 0.00 -0.11 0.00 0.00 41.96 41.18 1t3g s TYR 405 CO 0.84 0.11 1.28 -0.44 -1.11 0.00 0.00 175.55 176.23 1t3g h ASP 406 N 3.58 0.00 -3.55 2.29 3.32 -0.61 -0.15 116.42 121.30 1t3g h ASP 406 Ca -0.39 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.68 1t3g h ASP 406 Cb 1.19 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.50 1t3g h ASP 406 CO 0.50 0.69 0.33 0.00 -1.72 0.00 0.00 179.24 179.04 1t3g s ALA 407 N -2.86 -1.90 -0.25 3.45 0.00 -1.21 -2.28 121.76 116.71 1t3g s ALA 407 Ca 0.02 1.92 -0.12 0.00 0.00 0.00 0.00 51.96 53.77 1t3g s ALA 407 Cb 0.08 -1.30 -0.05 0.00 0.00 0.00 0.00 23.12 21.86 1t3g s ALA 407 CO 0.78 -0.28 0.24 -0.47 0.00 0.00 0.00 175.76 176.03 1t3g s TYR 408 N 0.22 3.29 -0.39 0.00 5.04 0.60 -1.13 117.35 124.98 1t3g s TYR 408 Ca 0.02 0.28 -0.20 0.00 -2.44 0.00 0.00 57.07 54.73 1t3g s TYR 408 Cb -0.05 -2.39 0.01 0.00 0.35 0.00 0.00 41.96 39.89 1t3g s TYR 408 CO -0.03 -0.06 0.62 -1.17 -1.34 0.00 0.00 175.55 173.58 1t3g s LEU 409 N 1.45 4.37 -0.27 6.97 2.96 -0.56 -0.24 118.68 133.36 1t3g s LEU 409 Ca 0.10 -0.08 -0.08 0.00 -0.22 0.00 0.00 54.13 53.85 1t3g s LEU 409 Cb -0.15 -2.73 -0.03 0.00 0.50 0.00 0.00 46.19 43.78 1t3g s LEU 409 CO 0.08 -0.66 0.10 -0.55 -1.32 0.00 0.00 176.35 174.00 1t3g s SER 410 N 1.88 5.33 0.34 3.68 0.15 0.22 -4.50 113.70 120.80 1t3g s SER 410 Ca 0.23 -0.27 -0.06 0.00 0.70 0.00 0.00 55.95 56.55 1t3g s SER 410 Cb -0.14 -1.96 0.01 0.00 -1.71 0.00 0.00 66.02 62.21 1t3g s SER 410 CO 0.16 -0.08 0.53 -0.72 1.20 0.00 0.00 173.24 174.33 1t3g s TYR 411 N 1.63 0.83 0.09 3.44 1.13 -1.26 -1.03 117.35 122.18 1t3g s TYR 411 Ca 0.06 -1.15 0.06 0.00 -1.41 0.00 0.00 57.07 54.63 1t3g s TYR 411 Cb -0.16 0.09 -0.03 0.00 -1.10 0.00 0.00 41.96 40.77 1t3g s TYR 411 CO 0.05 -1.19 -0.16 0.99 -2.51 0.00 0.00 175.55 172.73 1t3g s THR 412 N -3.04 1.31 -0.03 -3.49 2.01 -1.26 -5.01 115.64 106.14 1t3g s THR 412 Ca 0.27 -1.42 -0.00 0.00 0.31 0.00 0.00 61.69 60.85 1t3g s THR 412 Cb -0.01 -1.26 0.03 0.00 0.01 0.00 0.00 72.50 71.27 1t3g s THR 412 CO 0.18 -0.19 0.03 -1.59 -0.69 0.00 0.00 174.62 172.35 1t3g s LYS 413 N -1.88 0.08 1.27 4.92 -2.85 -1.26 -4.83 119.74 115.20 1t3g s LYS 413 Ca 0.02 0.19 -0.20 0.00 -1.00 0.00 0.00 55.97 54.97 1t3g s LYS 413 Cb -0.10 -0.40 0.31 0.00 -2.06 0.00 0.00 37.83 35.59 1t3g s LYS 413 CO 0.03 -0.19 1.05 0.14 0.10 0.00 0.00 175.35 176.48 1t3g s VAL 414 N 1.30 1.48 -0.37 1.79 -7.23 -1.26 -5.15 120.40 110.96 1t3g s VAL 414 Ca -0.06 0.00 0.25 0.00 -1.81 0.00 0.00 61.98 60.35 1t3g s VAL 414 Cb -0.13 -2.35 0.26 0.00 0.56 0.00 0.00 36.38 34.72 1t3g s VAL 414 CO -0.03 0.00 1.74 -2.24 -0.31 0.00 0.00 175.10 174.26 1t3g h ASP 415 N -2.86 0.00 0.00 4.85 3.04 -2.06 -3.56 116.42 115.83 1t3g h ASP 415 Ca -0.45 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.34 1t3g h ASP 415 Cb 1.31 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.60 1t3g h ASP 415 CO 0.32 0.00 0.00 0.41 -2.04 0.00 0.00 179.24 177.93 1t3g n THR 423 N -2.33 0.00 -2.49 1.15 -1.04 -1.26 -5.35 114.28 102.97 1t3g n THR 423 Ca 0.01 0.01 -0.08 0.00 -2.04 0.00 0.00 64.05 61.96 1t3g n THR 423 Cb 0.21 -0.64 0.04 0.00 -1.82 0.00 0.00 70.33 68.12 1t3g n THR 423 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1t3g n GLY 424 N 3.79 3.43 1.18 3.41 0.00 -1.26 -4.51 105.19 111.23 1t3g n GLY 424 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1t3g n GLY 424 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1t3g n GLU 425 N -0.58 0.00 0.06 1.61 -0.58 -1.26 -4.39 120.64 115.50 1t3g n GLU 425 Ca 0.20 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.88 1t3g n GLU 425 Cb 0.88 -0.18 -0.10 0.00 -0.57 0.00 0.00 31.44 31.46 1t3g n GLU 425 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1t3g h GLU 426 N 0.00 0.00 0.00 3.49 5.08 -1.98 -2.81 114.58 118.36 1t3g h GLU 426 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1t3g h GLU 426 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1t3g h GLU 426 CO 0.00 0.87 -0.37 0.93 -1.00 0.00 0.00 179.01 179.44 1t3g h GLU 427 N 0.00 0.00 -0.15 2.33 3.07 -1.88 -1.48 114.58 116.48 1t3g h GLU 427 Ca -0.04 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.77 1t3g h GLU 427 Cb 1.74 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.65 1t3g h GLU 427 CO 0.12 0.37 -0.08 -0.09 -1.40 0.00 0.00 179.01 177.93 1t3g h ARG 428 N 0.00 0.32 0.65 2.33 9.65 -1.75 -2.01 114.38 123.57 1t3g h ARG 428 Ca -0.00 -0.14 -0.03 0.00 -1.10 0.00 0.00 59.98 58.70 1t3g h ARG 428 Cb 1.25 -0.01 0.01 0.00 -1.39 0.00 0.00 29.97 29.82 1t3g h ARG 428 CO 0.05 0.65 -0.31 0.35 2.80 0.00 0.00 179.97 183.51 1t3g h PHE 429 N -0.02 -0.81 -0.49 2.20 3.57 -1.45 0.14 116.94 120.08 1t3g h PHE 429 Ca 0.03 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.60 1t3g h PHE 429 Cb 0.56 0.27 -0.08 0.00 2.79 0.00 0.00 35.95 39.49 1t3g h PHE 429 CO 0.07 -0.48 0.04 0.00 -2.23 0.00 0.00 178.31 175.71 1t3g h ALA 430 N -0.65 0.50 0.08 2.41 0.00 -1.31 0.96 119.26 121.25 1t3g h ALA 430 Ca -0.09 0.13 -0.34 0.00 0.00 0.00 0.00 54.91 54.61 1t3g h ALA 430 Cb 0.69 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1t3g h ALA 430 CO 0.15 -0.36 -1.89 1.28 0.00 0.00 0.00 179.25 178.43 1t3g n LEU 431 N -5.18 1.96 0.00 0.00 4.77 -0.76 -4.51 117.00 113.28 1t3g n LEU 431 Ca 0.05 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1t3g n LEU 431 Cb 0.26 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1t3g n LEU 431 CO 0.18 0.68 0.00 -0.62 -1.33 0.00 0.00 177.39 176.29 1t3g n GLU 432 N -3.31 0.00 0.12 3.23 -0.58 0.45 -4.62 120.64 115.92 1t3g n GLU 432 Ca -0.26 0.03 -0.14 0.00 -0.42 0.00 0.00 57.16 56.38 1t3g n GLU 432 Cb 1.05 -0.37 -0.06 0.00 -0.57 0.00 0.00 31.44 31.49 1t3g n GLU 432 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1t3g h ILE 433 N 0.00 0.25 -0.29 -3.67 2.04 -1.42 -2.40 117.51 112.02 1t3g h ILE 433 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 1t3g h ILE 433 Cb 0.00 0.25 -0.08 0.00 -0.74 0.00 0.00 36.82 36.25 1t3g h ILE 433 CO 0.00 0.00 -0.34 0.25 0.00 0.00 0.00 178.15 178.06 1t3g h LEU 434 N -0.59 -1.11 -0.49 1.44 5.85 -1.06 -2.80 115.31 116.56 1t3g h LEU 434 Ca 0.03 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1t3g h LEU 434 Cb 0.62 0.49 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 1t3g h LEU 434 CO -0.21 -0.35 0.25 -0.65 -0.34 0.00 0.00 178.44 177.15 1t3g h PRO 435 N -0.33 0.70 -0.93 5.25 0.11 -1.78 -2.33 132.00 132.68 1t3g h PRO 435 Ca 0.14 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1t3g h PRO 435 Cb 0.55 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.53 1t3g h PRO 435 CO -0.47 0.56 0.00 -0.25 -0.21 0.00 0.00 178.00 177.64 1t3g n ASP 436 N -4.64 0.40 0.00 -2.05 8.00 -0.91 -1.79 116.55 115.56 1t3g n ASP 436 Ca 0.02 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.10 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 0.63 0.00 -0.10 0.64 4.77 -0.88 -0.38 117.00 121.67 1t3g n LEU 438 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 1t3g n LEU 438 Cb 0.08 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.05 1t3g n LEU 438 CO 0.00 0.00 -0.58 -0.62 -1.33 0.00 0.00 177.39 174.86 1t3g n GLU 439 N 0.00 0.57 0.08 3.23 1.02 -0.74 -0.38 120.64 124.41 1t3g n GLU 439 Ca 0.00 0.55 -0.12 0.00 -0.02 0.00 0.00 57.16 57.57 1t3g n GLU 439 Cb 0.00 -1.73 -0.08 0.00 -0.02 0.00 0.00 31.44 29.61 1t3g n GLU 439 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1t3g h LYS 440 N -0.97 -0.23 0.14 3.49 1.79 -0.92 -1.89 116.57 117.98 1t3g h LYS 440 Ca -0.37 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.11 1t3g h LYS 440 Cb 1.34 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.05 1t3g h LYS 440 CO -0.22 0.17 -0.07 1.25 -1.08 0.00 0.00 179.45 179.51 1t3g h HIS 441 N -0.76 -0.17 0.00 -1.35 2.76 -1.81 -3.36 115.15 110.46 1t3g h HIS 441 Ca -0.02 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 1t3g h HIS 441 Cb 0.51 0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.53 1t3g h HIS 441 CO 0.07 -0.11 0.00 1.88 -1.30 0.00 0.00 177.93 178.47 1t3g h TYR 442 N -0.43 0.00 -1.48 5.26 0.05 -1.77 -3.48 116.97 115.12 1t3g h TYR 442 Ca -0.02 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.54 1t3g h TYR 442 Cb 0.14 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 1t3g h TYR 442 CO 0.05 0.00 -0.28 0.41 -1.05 0.00 0.00 178.16 177.29 1t3g n GLY 443 N 0.52 0.02 3.88 3.88 0.00 -0.71 -4.95 105.19 107.83 1t3g n GLY 443 Ca 0.03 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.54 3.59 -0.32 1.61 2.02 0.48 -4.95 117.35 117.24 1t3g s TYR 444 Ca 0.00 1.10 -0.05 0.00 -0.37 0.00 0.00 57.07 57.75 1t3g s TYR 444 Cb 0.00 -2.59 0.04 0.00 -0.40 0.00 0.00 41.96 39.01 1t3g s TYR 444 CO 0.00 -0.57 0.06 0.21 -1.57 0.00 0.00 175.55 173.68 1t3g s LYS 445 N -5.03 2.62 0.12 -0.62 2.20 -1.26 -4.31 119.74 113.46 1t3g s LYS 445 Ca 0.52 -1.16 0.04 0.00 -0.36 0.00 0.00 55.97 55.01 1t3g s LYS 445 Cb -0.11 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 1t3g s LYS 445 CO 0.51 -0.62 0.13 -0.51 -0.36 0.00 0.00 175.35 174.50 1t3g s LEU 446 N 1.37 3.88 -0.32 5.43 1.43 -1.26 0.14 118.68 129.34 1t3g s LEU 446 Ca -0.02 -0.04 -0.09 0.00 -1.03 0.00 0.00 54.13 52.95 1t3g s LEU 446 Cb -0.19 -2.51 0.01 0.00 0.03 0.00 0.00 46.19 43.52 1t3g s LEU 446 CO 0.01 0.11 0.15 0.12 0.23 0.00 0.00 176.35 176.98 1t3g s PHE 447 N -1.60 3.19 -0.30 0.29 5.36 -0.28 -4.98 117.98 119.67 1t3g s PHE 447 Ca 0.31 -0.77 0.00 0.00 -0.96 0.00 0.00 56.93 55.51 1t3g s PHE 447 Cb -0.11 -2.35 0.06 0.00 -0.34 0.00 0.00 43.02 40.28 1t3g s PHE 447 CO 0.24 -0.53 -0.02 0.42 -1.46 0.00 0.00 175.22 173.86 1t3g s ILE 448 N 1.57 2.65 0.22 3.12 1.01 -1.26 -1.50 121.20 127.01 1t3g s ILE 448 Ca 0.03 -1.62 -0.18 0.00 0.00 0.00 0.00 60.65 58.88 1t3g s ILE 448 Cb -0.18 -2.60 0.22 0.00 0.01 0.00 0.00 42.46 39.91 1t3g s ILE 448 CO 0.06 -0.18 1.54 -2.65 0.00 0.00 0.00 174.94 173.71 1t3g n PRO 449 N 4.51 -0.24 0.00 2.79 -0.02 -1.26 -0.27 135.00 140.51 1t3g n PRO 449 Ca -0.11 1.52 0.02 0.00 -2.02 0.00 0.00 63.50 62.91 1t3g n PRO 449 Cb 0.43 -2.26 0.09 0.00 -0.02 0.00 0.00 33.50 31.74 1t3g n PRO 449 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1t3g n ASP 450 N -5.45 0.00 -0.02 2.55 8.00 -1.26 -0.55 116.55 119.82 1t3g n ASP 450 Ca 0.10 0.36 -0.02 0.00 0.71 0.00 0.00 54.79 55.94 1t3g n ASP 450 Cb 0.39 -0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 41.07 1t3g n ASP 450 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1t3g n ARG 451 N -1.39 1.94 0.00 -1.24 0.63 0.62 -4.84 116.66 112.39 1t3g n ARG 451 Ca 0.01 0.01 0.02 0.00 -0.92 0.00 0.00 57.85 56.98 1t3g n ARG 451 Cb 0.04 -1.09 0.01 0.00 0.45 0.00 0.00 32.46 31.87 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 -2.35 1.04 -4.24 6.15 8.00 0.59 -4.99 116.55 120.74 1t3g n ASP 452 Ca -0.07 -1.02 -0.34 0.00 0.71 0.00 0.00 54.79 54.08 1t3g n ASP 452 Cb 0.60 0.31 -0.15 0.00 -0.02 0.00 0.00 41.12 41.86 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 -0.98 2.48 -0.38 0.64 2.96 0.28 -4.97 118.68 118.72 1t3g s LEU 453 Ca 0.05 -0.50 -0.10 0.00 -0.22 0.00 0.00 54.13 53.36 1t3g s LEU 453 Cb 0.04 -1.58 0.04 0.00 0.50 0.00 0.00 46.19 45.19 1t3g s LEU 453 CO 0.10 0.04 0.20 -0.51 -1.32 0.00 0.00 176.35 174.86 1t3g s ILE 454 N 1.11 4.32 0.06 6.68 1.10 -1.26 -4.71 121.20 128.50 1t3g s ILE 454 Ca 0.00 -1.06 -0.34 0.00 -0.51 0.00 0.00 60.65 58.75 1t3g s ILE 454 Cb -0.14 -3.48 -0.13 0.00 0.15 0.00 0.00 42.46 38.86 1t3g s ILE 454 CO -0.04 -0.30 1.73 -2.65 -2.11 0.00 0.00 174.94 171.57 1t3g n PRO 455 N 4.94 2.27 -0.55 3.50 -0.02 -1.26 -4.92 135.00 138.96 1t3g n PRO 455 Ca -0.11 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1t3g n PRO 455 Cb 0.45 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 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 4.28 0.00 0.51 3.45 -2.24 -1.26 -4.99 114.28 114.02 1t3g n THR 456 Ca 0.19 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.06 1t3g n THR 456 Cb 0.30 0.00 0.39 0.00 -2.10 0.00 0.00 70.33 68.92 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 -1.14 0.70 3.38 0.00 -1.26 -2.47 105.19 104.41 1t3g n GLY 457 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.74 2.07 -0.32 2.61 -2.24 -1.26 -4.79 114.28 108.60 1t3g n THR 458 Ca 0.03 -1.84 -0.00 0.00 -2.27 0.00 0.00 64.05 59.97 1t3g n THR 458 Cb 0.21 -0.16 0.06 0.00 -2.10 0.00 0.00 70.33 68.33 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 1.46 -0.85 -0.37 4.78 3.20 -1.84 0.17 116.97 123.52 1t3g h TYR 459 Ca 0.00 0.09 0.04 0.00 3.14 0.00 0.00 58.73 62.00 1t3g h TYR 459 Cb 1.28 0.50 -0.04 0.00 1.54 0.00 0.00 36.73 40.01 1t3g h TYR 459 CO 0.37 -0.39 0.15 0.82 -1.64 0.00 0.00 178.16 177.47 1t3g h ILE 460 N -0.04 0.93 -0.08 1.81 1.08 -1.87 -0.89 117.51 118.45 1t3g h ILE 460 Ca 0.34 -0.11 -0.11 0.00 -0.39 0.00 0.00 64.86 64.59 1t3g h ILE 460 Cb 0.60 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 34.92 1t3g h ILE 460 CO -0.89 0.06 -0.45 -0.33 -0.69 0.00 0.00 178.15 175.85 1t3g h GLU 461 N 0.32 0.18 -0.51 2.37 3.07 -1.65 -2.57 114.58 115.78 1t3g h GLU 461 Ca 0.16 -0.09 -0.07 0.00 -0.50 0.00 0.00 59.36 58.86 1t3g h GLU 461 Cb 0.12 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 1t3g h GLU 461 CO -0.15 0.60 0.03 -0.44 -1.40 0.00 0.00 179.01 177.65 1t3g h ASP 462 N 0.15 0.86 -0.16 1.42 3.32 0.04 -0.80 116.42 121.25 1t3g h ASP 462 Ca 0.01 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 56.76 1t3g h ASP 462 Cb 0.86 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1t3g h ASP 462 CO 0.07 0.94 0.08 0.58 -1.72 0.00 0.00 179.24 179.19 1t3g h VAL 463 N 0.76 1.11 -0.68 -1.35 2.07 -1.04 0.48 116.25 117.60 1t3g h VAL 463 Ca 0.15 -0.31 0.09 0.00 0.82 0.00 0.00 66.70 67.45 1t3g h VAL 463 Cb 0.48 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 31.20 1t3g h VAL 463 CO 0.02 0.10 0.32 0.00 0.02 0.00 0.00 177.57 178.04 1t3g h ALA 464 N 0.97 0.92 -0.53 1.67 0.00 -1.24 0.29 119.26 121.35 1t3g h ALA 464 Ca 0.06 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1t3g h ALA 464 Cb 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1t3g h ALA 464 CO -0.01 -0.08 -0.03 -0.09 0.00 0.00 0.00 179.25 179.05 1t3g h ARG 465 N 0.56 0.95 -0.15 0.00 2.43 -0.86 -1.80 114.38 115.51 1t3g h ARG 465 Ca 0.33 -0.32 -0.15 0.00 -0.81 0.00 0.00 59.98 59.04 1t3g h ARG 465 Cb 0.35 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1t3g h ARG 465 CO -0.27 0.98 -0.54 0.00 -1.51 0.00 0.00 179.97 178.63 1t3g h VAL 467 N 0.34 1.28 0.00 0.00 2.07 -0.92 -2.51 116.25 116.52 1t3g h VAL 467 Ca 0.01 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 1t3g h VAL 467 Cb 1.05 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1t3g h VAL 467 CO 0.09 0.37 -0.04 -0.78 0.02 0.00 0.00 177.57 177.24 1t3g h ASP 468 N 0.37 0.00 -0.39 0.57 3.58 -1.20 -0.54 116.42 118.81 1t3g h ASP 468 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1t3g h ASP 468 Cb 0.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1t3g h ASP 468 CO 0.03 0.04 0.00 0.00 -2.88 0.00 0.00 179.24 176.43 1t3g n GLN 469 N -3.62 1.96 -4.39 0.28 6.02 -0.86 -4.66 117.38 112.12 1t3g n GLN 469 Ca -0.03 -1.48 -0.30 0.00 -0.01 0.00 0.00 57.00 55.18 1t3g n GLN 469 Cb 0.13 -1.34 -0.11 0.00 1.02 0.00 0.00 30.24 29.94 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 -1.08 3.96 0.15 1.08 0.01 -0.21 -0.97 113.70 116.63 1t3g s SER 470 Ca 0.29 -0.49 0.26 0.00 1.31 0.00 0.00 55.95 57.32 1t3g s SER 470 Cb 0.15 -0.62 0.74 0.00 0.21 0.00 0.00 66.02 66.50 1t3g s SER 470 CO 0.20 0.20 1.67 0.29 0.41 0.00 0.00 173.24 176.01 1t3g n LYS 471 N 1.00 0.22 -3.71 12.44 5.02 -0.07 -4.58 118.16 128.48 1t3g n LYS 471 Ca -0.15 0.14 -0.13 0.00 -2.02 0.00 0.00 58.31 56.15 1t3g n LYS 471 Cb 0.52 -1.72 -0.07 0.00 -0.02 0.00 0.00 35.03 33.74 1t3g n LYS 471 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1t3g s ARG 472 N -3.10 0.83 -0.21 1.97 1.81 -0.97 -4.35 118.95 114.94 1t3g s ARG 472 Ca 0.10 -0.34 -0.01 0.00 -1.72 0.00 0.00 55.73 53.76 1t3g s ARG 472 Cb 0.14 0.37 0.02 0.00 -0.45 0.00 0.00 34.95 35.02 1t3g s ARG 472 CO 0.62 -0.27 -0.13 -1.17 -0.68 0.00 0.00 175.30 173.68 1t3g s LEU 473 N -1.82 2.61 -0.23 2.53 2.96 -0.43 -0.29 118.68 124.01 1t3g s LEU 473 Ca -0.07 -0.66 -0.08 0.00 -0.22 0.00 0.00 54.13 53.10 1t3g s LEU 473 Cb -0.02 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 1t3g s LEU 473 CO -0.00 -0.04 0.08 -0.63 -1.32 0.00 0.00 176.35 174.43 1t3g s ILE 474 N 1.34 4.61 -0.27 6.68 1.01 0.67 -0.64 121.20 134.59 1t3g s ILE 474 Ca 0.04 -0.08 -0.05 0.00 0.00 0.00 0.00 60.65 60.55 1t3g s ILE 474 Cb -0.14 -3.13 0.01 0.00 0.01 0.00 0.00 42.46 39.21 1t3g s ILE 474 CO -0.08 0.38 0.03 -0.63 0.00 0.00 0.00 174.94 174.64 1t3g s ILE 475 N 1.14 3.70 0.32 2.92 1.01 -0.53 0.70 121.20 130.46 1t3g s ILE 475 Ca 0.05 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 60.07 1t3g s ILE 475 Cb -0.14 -2.85 0.05 0.00 0.01 0.00 0.00 42.46 39.53 1t3g s ILE 475 CO 0.04 0.18 0.44 0.52 0.00 0.00 0.00 174.94 176.11 1t3g n VAL 476 N 4.82 0.00 0.00 2.92 0.31 -0.20 -0.78 118.33 125.41 1t3g n VAL 476 Ca -0.16 -1.01 0.00 0.00 -0.01 0.00 0.00 64.34 63.17 1t3g n VAL 476 Cb 0.49 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 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 -1.73 0.00 -0.35 2.52 -2.24 -1.26 -4.63 114.28 106.59 1t3g n THR 478 Ca 0.09 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.91 1t3g n THR 478 Cb 0.32 0.00 0.22 0.00 -2.10 0.00 0.00 70.33 68.77 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 1.04 -0.56 -0.78 0.11 -1.95 -1.58 132.00 128.28 1t3g h PRO 479 Ca 0.00 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 1t3g h PRO 479 Cb 0.00 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 30.85 1t3g h PRO 479 CO 0.00 0.69 0.20 -0.91 -0.21 0.00 0.00 178.00 177.77 1t3g h ASN 480 N 1.07 0.80 -0.40 -2.05 2.35 -1.98 0.37 115.58 115.74 1t3g h ASN 480 Ca 0.44 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 56.00 1t3g h ASN 480 Cb 0.29 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1t3g h ASN 480 CO -0.20 0.77 0.22 0.22 -1.65 0.00 0.00 177.43 176.79 1t3g h TYR 481 N 0.78 0.58 -0.19 1.19 5.03 -1.67 0.12 116.97 122.81 1t3g h TYR 481 Ca 0.18 -0.01 -0.20 0.00 2.58 0.00 0.00 58.73 61.29 1t3g h TYR 481 Cb 0.24 -0.19 0.01 0.00 1.55 0.00 0.00 36.73 38.34 1t3g h TYR 481 CO 0.01 0.43 -0.66 0.28 -1.32 0.00 0.00 178.16 176.90 1t3g h VAL 482 N 0.60 1.29 -0.44 1.81 2.07 -0.76 0.86 116.25 121.67 1t3g h VAL 482 Ca 0.15 -1.87 -0.13 0.00 0.82 0.00 0.00 66.70 65.68 1t3g h VAL 482 Cb 0.05 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1t3g h VAL 482 CO -0.02 0.59 -0.23 0.58 0.02 0.00 0.00 177.57 178.51 1t3g h VAL 483 N 0.51 1.27 -0.01 2.57 2.07 -0.25 -2.92 116.25 119.49 1t3g h VAL 483 Ca -0.03 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1t3g h VAL 483 Cb 1.29 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1t3g h VAL 483 CO 0.14 0.47 -0.21 0.54 0.02 0.00 0.00 177.57 178.52 1t3g n ARG 484 N -4.11 0.94 -3.63 1.57 5.12 0.35 -4.96 116.66 111.94 1t3g n ARG 484 Ca 0.00 -0.54 -0.26 0.00 -1.93 0.00 0.00 57.85 55.12 1t3g n ARG 484 Cb 0.45 -1.49 0.04 0.00 -1.16 0.00 0.00 32.46 30.31 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 -0.56 -2.29 0.15 5.56 1.74 -0.24 -4.82 116.66 116.21 1t3g n ARG 485 Ca 0.13 0.56 0.09 0.00 -0.77 0.00 0.00 57.85 57.86 1t3g n ARG 485 Cb 0.34 -4.66 0.49 0.00 -1.02 0.00 0.00 32.46 27.61 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 -1.60 -0.78 0.01 -0.13 0.00 0.13 -1.55 105.19 101.27 1t3g n GLY 486 Ca -0.15 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.15 0.00 -0.27 1.61 4.27 -1.26 -4.48 117.44 115.15 1t3g n TRP 487 Ca -0.01 0.00 0.07 0.00 -3.89 0.00 0.00 57.50 53.67 1t3g n TRP 487 Cb 0.10 -0.34 0.18 0.00 -1.36 0.00 0.00 31.31 29.89 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 0.03 -0.35 -0.59 -0.67 0.02 -1.63 -1.44 113.55 108.93 1t3g h SER 488 Ca 0.00 0.21 0.13 0.00 -0.84 0.00 0.00 61.79 61.29 1t3g h SER 488 Cb 0.50 0.36 -0.03 0.00 0.14 0.00 0.00 62.40 63.37 1t3g h SER 488 CO 0.00 -0.20 0.40 -0.29 -1.14 0.00 0.00 176.83 175.60 1t3g h ILE 489 N 0.10 0.81 0.00 3.27 2.10 -1.84 0.05 117.51 122.00 1t3g h ILE 489 Ca 0.45 -0.08 -0.03 0.00 1.08 0.00 0.00 64.86 66.27 1t3g h ILE 489 Cb 0.81 0.56 -0.00 0.00 -1.09 0.00 0.00 36.82 37.10 1t3g h ILE 489 CO -0.70 0.04 -0.16 -0.26 -1.08 0.00 0.00 178.15 175.99 1t3g h PHE 490 N 0.23 0.00 0.00 2.19 0.04 -1.59 -1.81 116.94 116.00 1t3g h PHE 490 Ca 0.28 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.88 1t3g h PHE 490 Cb 0.78 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.90 1t3g h PHE 490 CO -0.00 0.16 -1.77 0.39 -0.60 0.00 0.00 178.31 176.49 1t3g n GLU 491 N -3.33 0.65 -0.00 1.51 -0.58 -0.15 -1.85 120.64 116.88 1t3g n GLU 491 Ca 0.00 0.06 -0.17 0.00 -0.42 0.00 0.00 57.16 56.63 1t3g n GLU 491 Cb 0.39 -1.67 -0.12 0.00 -0.57 0.00 0.00 31.44 29.47 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 0.41 -9.06 -4.62 5.85 -0.92 -3.44 115.31 103.52 1t3g h LEU 492 Ca -0.21 -0.81 -0.57 0.00 0.84 0.00 0.00 57.88 57.13 1t3g h LEU 492 Cb 1.58 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.43 1t3g h LEU 492 CO 0.03 1.17 0.86 -0.70 -0.34 0.00 0.00 178.44 179.46 1t3g s GLU 493 N -3.01 4.18 0.21 1.25 -6.30 -0.70 -4.94 118.70 109.38 1t3g s GLU 493 Ca -0.14 1.38 -0.12 0.00 -2.50 0.00 0.00 54.97 53.59 1t3g s GLU 493 Cb 0.02 -3.72 0.26 0.00 0.00 0.00 0.00 34.13 30.68 1t3g s GLU 493 CO 0.79 -0.76 1.64 1.15 0.02 0.00 0.00 175.26 178.11 1t3g h THR 494 N 5.57 0.43 -0.26 -1.70 2.02 -1.90 -0.33 112.91 116.74 1t3g h THR 494 Ca -0.22 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 1t3g h THR 494 Cb 1.08 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1t3g h THR 494 CO 0.99 0.01 0.08 0.03 0.37 0.00 0.00 175.52 177.00 1t3g h ARG 495 N 0.04 0.40 -0.23 6.66 3.08 -1.95 -1.87 114.38 120.52 1t3g h ARG 495 Ca 0.31 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1t3g h ARG 495 Cb 0.49 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1t3g h ARG 495 CO -0.59 0.48 0.15 -0.07 -1.07 0.00 0.00 179.97 178.87 1t3g h LEU 496 N 0.25 0.27 -1.37 3.04 3.38 -1.73 -2.18 115.31 116.96 1t3g h LEU 496 Ca 0.08 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1t3g h LEU 496 Cb 0.25 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1t3g h LEU 496 CO -0.00 0.20 0.48 -0.09 0.09 0.00 0.00 178.44 179.11 1t3g h ARG 497 N 0.31 0.75 -1.60 1.13 2.43 -0.31 -2.10 114.38 114.99 1t3g h ARG 497 Ca 0.08 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1t3g h ARG 497 Cb -0.03 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 1t3g h ARG 497 CO -0.02 0.50 0.00 0.09 -1.51 0.00 0.00 179.97 179.03 1t3g n ASN 498 N -4.48 0.83 0.00 -3.80 4.13 -0.71 -1.54 115.26 109.69 1t3g n ASN 498 Ca 0.11 -0.58 0.00 0.00 1.68 0.00 0.00 54.58 55.78 1t3g n ASN 498 Cb 0.22 -0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.31 1t3g n ASN 498 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1t3g n LEU 500 N 0.82 0.00 -0.08 3.41 4.77 -0.79 0.15 117.00 125.27 1t3g n LEU 500 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1t3g n LEU 500 Cb 0.14 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 1t3g n LEU 500 CO 0.00 0.00 0.65 0.58 -1.33 0.00 0.00 177.39 177.29 1t3g h VAL 501 N 0.00 1.30 -0.02 4.08 2.07 -0.94 -0.84 116.25 121.91 1t3g h VAL 501 Ca 0.00 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.29 1t3g h VAL 501 Cb 0.00 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1t3g h VAL 501 CO 0.00 0.38 0.00 0.35 0.02 0.00 0.00 177.57 178.32 1t3g n THR 502 N -4.47 0.01 -2.31 2.57 -2.24 0.12 -4.32 114.28 103.63 1t3g n THR 502 Ca -0.04 -0.15 -0.08 0.00 -2.27 0.00 0.00 64.05 61.51 1t3g n THR 502 Cb 0.36 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1t3g n THR 502 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t3g n GLY 503 N 1.09 0.11 0.00 3.38 0.00 -1.20 -4.92 105.19 103.64 1t3g n GLY 503 Ca 0.21 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.84 1t3g n GLY 503 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1t3g n GLU 504 N -1.88 0.05 -3.71 1.61 1.02 -1.26 -4.76 120.64 111.72 1t3g n GLU 504 Ca -0.08 0.08 -0.13 0.00 -0.02 0.00 0.00 57.16 57.02 1t3g n GLU 504 Cb 0.56 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.39 1t3g n GLU 504 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1t3g s ILE 505 N -2.94 -0.00 0.08 -3.67 2.07 -1.26 -5.04 121.20 110.44 1t3g s ILE 505 Ca 0.13 0.01 -0.26 0.00 -1.41 0.00 0.00 60.65 59.13 1t3g s ILE 505 Cb 0.16 -0.66 -0.06 0.00 0.13 0.00 0.00 42.46 42.03 1t3g s ILE 505 CO 0.43 0.00 0.79 -0.75 -1.91 0.00 0.00 174.94 173.51 1t3g s LYS 506 N 0.41 4.54 -0.16 3.50 2.20 -1.26 -4.58 119.74 124.39 1t3g s LYS 506 Ca -0.01 1.14 -0.01 0.00 -0.36 0.00 0.00 55.97 56.72 1t3g s LYS 506 Cb -0.04 -3.34 -0.01 0.00 -1.51 0.00 0.00 37.83 32.93 1t3g s LYS 506 CO -0.01 0.34 -0.11 0.08 -0.36 0.00 0.00 175.35 175.29 1t3g s VAL 507 N -0.30 3.10 -0.36 4.02 1.01 -0.33 -1.31 120.40 126.22 1t3g s VAL 507 Ca 0.39 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.65 1t3g s VAL 507 Cb -0.21 -2.33 0.03 0.00 0.00 0.00 0.00 36.38 33.86 1t3g s VAL 507 CO 0.25 0.50 0.17 -0.63 0.00 0.00 0.00 175.10 175.39 1t3g s ILE 508 N 0.72 4.36 -0.30 2.22 1.01 0.19 -1.66 121.20 127.73 1t3g s ILE 508 Ca -0.05 -0.91 -0.10 0.00 0.00 0.00 0.00 60.65 59.59 1t3g s ILE 508 Cb -0.15 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 38.87 1t3g s ILE 508 CO 0.02 -0.20 0.17 -0.22 0.00 0.00 0.00 174.94 174.71 1t3g s LEU 509 N 1.52 4.10 -0.44 2.97 0.20 -0.27 -1.45 118.68 125.30 1t3g s LEU 509 Ca 0.01 -0.38 -0.15 0.00 0.69 0.00 0.00 54.13 54.31 1t3g s LEU 509 Cb -0.19 -2.04 0.05 0.00 -0.43 0.00 0.00 46.19 43.58 1t3g s LEU 509 CO 0.06 -0.16 0.34 -0.63 -0.29 0.00 0.00 176.35 175.67 1t3g s ILE 510 N 1.66 5.17 -0.40 6.68 1.01 0.04 -1.32 121.20 134.04 1t3g s ILE 510 Ca 0.06 -0.91 -0.27 0.00 0.00 0.00 0.00 60.65 59.52 1t3g s ILE 510 Cb -0.17 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.33 1t3g s ILE 510 CO 0.08 -0.45 1.01 -1.61 0.00 0.00 0.00 174.94 173.96 1t3g s GLU 511 N 1.64 3.81 -0.22 2.79 2.02 -0.15 -4.53 118.70 124.06 1t3g s GLU 511 Ca 0.04 0.61 0.05 0.00 0.02 0.00 0.00 54.97 55.69 1t3g s GLU 511 Cb -0.22 -3.84 -0.20 0.00 0.10 0.00 0.00 34.13 29.98 1t3g s GLU 511 CO 0.08 -1.09 -0.06 0.00 0.02 0.00 0.00 175.26 174.21 1t3g s SER 513 N -6.35 5.80 -0.67 0.00 1.04 -1.26 -4.81 113.70 107.44 1t3g s SER 513 Ca -0.27 0.60 -0.02 0.00 0.48 0.00 0.00 55.95 56.74 1t3g s SER 513 Cb 0.08 -1.74 0.30 0.00 0.10 0.00 0.00 66.02 64.76 1t3g s SER 513 CO 0.68 -0.85 2.19 1.21 0.98 0.00 0.00 173.24 177.45 1t3g n GLU 514 N -2.34 2.56 0.00 4.02 4.07 -1.26 -4.99 120.64 122.70 1t3g n GLU 514 Ca 0.03 -3.01 0.00 0.00 -0.06 0.00 0.00 57.16 54.11 1t3g n GLU 514 Cb 0.57 -2.18 0.00 0.00 -0.06 0.00 0.00 31.44 29.77 1t3g n GLU 514 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1t3g n LEU 515 N -0.25 0.00 -4.26 4.31 7.94 -1.26 -4.93 117.00 118.55 1t3g n LEU 515 Ca 0.53 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 55.17 1t3g n LEU 515 Cb 0.44 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.26 1t3g n LEU 515 CO 0.53 0.00 -0.52 -0.60 -1.11 0.00 0.00 177.39 175.69 1t3g s ARG 516 N 0.00 1.35 0.00 1.96 3.00 -1.26 -4.86 118.95 119.14 1t3g s ARG 516 Ca 0.00 -0.98 0.00 0.00 -1.00 0.00 0.00 55.73 53.75 1t3g s ARG 516 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 34.95 33.46 1t3g s ARG 516 CO 0.00 0.37 0.00 0.41 0.00 0.00 0.00 175.30 176.08 1t3g n GLY 517 N 1.72 2.71 0.49 8.12 0.00 -1.26 -4.71 105.19 112.26 1t3g n GLY 517 Ca -0.18 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1t3g n GLY 517 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1t3g n ILE 518 N 1.35 0.00 0.00 -0.61 -0.00 -1.26 -1.39 119.36 117.45 1t3g n ILE 518 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1t3g n ILE 518 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 39.64 39.63 1t3g n ILE 518 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1t3g n ASN 520 N 0.31 0.00 -0.13 4.38 3.02 -1.26 -1.32 115.26 120.25 1t3g n ASN 520 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.50 1t3g n ASN 520 Cb 0.00 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.21 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 0.28 -0.32 3.10 5.03 -1.51 -0.44 116.97 123.12 1t3g h TYR 521 Ca 0.00 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.22 1t3g h TYR 521 Cb 0.00 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.20 1t3g h TYR 521 CO 0.00 0.11 -0.24 1.96 -1.32 0.00 0.00 178.16 178.67 1t3g h GLN 522 N 0.33 0.63 -0.51 1.82 1.08 -1.44 -0.74 115.11 116.28 1t3g h GLN 522 Ca 0.20 -0.25 -0.08 0.00 -1.45 0.00 0.00 58.65 57.07 1t3g h GLN 522 Cb 0.18 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 1t3g h GLN 522 CO -0.19 0.81 0.01 0.93 -0.95 0.00 0.00 178.83 179.44 1t3g h GLU 523 N 0.55 0.89 -0.71 1.46 5.08 -1.69 -1.27 114.58 118.89 1t3g h GLU 523 Ca 0.08 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 1t3g h GLU 523 Cb 0.71 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1t3g h GLU 523 CO 0.05 0.91 0.21 0.28 -1.00 0.00 0.00 179.01 179.46 1t3g h VAL 524 N 0.76 1.26 -0.45 3.13 2.07 -0.89 0.53 116.25 122.66 1t3g h VAL 524 Ca 0.14 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.76 1t3g h VAL 524 Cb 0.51 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1t3g h VAL 524 CO 0.02 0.36 0.27 -0.33 0.02 0.00 0.00 177.57 177.92 1t3g h GLU 525 N 1.06 0.54 -0.64 1.57 4.39 -0.84 -1.10 114.58 119.56 1t3g h GLU 525 Ca 0.23 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.84 1t3g h GLU 525 Cb 0.32 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 1t3g h GLU 525 CO -0.00 0.36 0.18 0.00 -1.16 0.00 0.00 179.01 178.38 1t3g h ALA 526 N 1.19 1.10 -0.14 3.43 0.00 -0.75 -2.19 119.26 121.90 1t3g h ALA 526 Ca 0.17 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1t3g h ALA 526 Cb -0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1t3g h ALA 526 CO -0.07 0.61 0.04 1.25 0.00 0.00 0.00 179.25 181.08 1t3g h LEU 527 N 0.95 0.05 -1.47 0.00 5.85 -0.26 -2.19 115.31 118.23 1t3g h LEU 527 Ca 0.21 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.99 1t3g h LEU 527 Cb 0.31 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1t3g h LEU 527 CO -0.00 0.05 0.41 0.11 -0.34 0.00 0.00 178.44 178.67 1t3g h LYS 528 N 0.11 0.65 0.00 1.25 1.57 -0.87 -1.22 116.57 118.06 1t3g h LYS 528 Ca 0.06 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1t3g h LYS 528 Cb 0.04 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1t3g h LYS 528 CO -0.06 0.43 0.00 0.72 -0.57 0.00 0.00 179.45 179.97 1t3g n HIS 529 N -4.47 0.21 1.01 -1.35 8.25 -0.84 -1.80 115.22 116.23 1t3g n HIS 529 Ca 0.08 0.08 0.12 0.00 -0.26 0.00 0.00 57.72 57.74 1t3g n HIS 529 Cb 0.19 -0.63 0.17 0.00 1.12 0.00 0.00 29.99 30.84 1t3g n HIS 529 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1t3g n THR 530 N -1.69 0.00 -3.64 1.59 -1.04 -0.46 -4.82 114.28 104.22 1t3g n THR 530 Ca 0.03 -0.01 -0.39 0.00 -2.04 0.00 0.00 64.05 61.64 1t3g n THR 530 Cb 0.20 0.44 -0.12 0.00 -1.82 0.00 0.00 70.33 69.03 1t3g n THR 530 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1t3g s ILE 531 N -2.96 4.63 -0.03 12.58 1.01 -0.74 -2.44 121.20 133.24 1t3g s ILE 531 Ca 0.11 -0.46 -0.26 0.00 0.00 0.00 0.00 60.65 60.05 1t3g s ILE 531 Cb 0.17 -3.38 -0.20 0.00 0.01 0.00 0.00 42.46 39.06 1t3g s ILE 531 CO 0.72 0.03 1.19 0.50 0.00 0.00 0.00 174.94 177.39 1t3g h LYS 532 N 8.37 -0.04 -4.12 2.79 3.64 -1.34 -3.39 116.57 122.48 1t3g h LYS 532 Ca -0.31 0.00 -0.76 0.00 -1.27 0.00 0.00 60.65 58.31 1t3g h LYS 532 Cb 1.14 0.01 -0.24 0.00 -0.41 0.00 0.00 32.23 32.73 1t3g h LYS 532 CO 0.62 0.46 -0.14 -0.51 -2.27 0.00 0.00 179.45 177.61 1t3g s LEU 533 N -9.16 6.19 0.01 5.20 1.43 -1.26 -5.01 118.68 116.07 1t3g s LEU 533 Ca -0.16 -1.88 0.02 0.00 -1.03 0.00 0.00 54.13 51.08 1t3g s LEU 533 Cb 0.01 -2.22 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 1t3g s LEU 533 CO 0.65 -0.85 -0.06 -0.22 0.23 0.00 0.00 176.35 176.10 1t3g s LEU 534 N 1.51 2.07 -0.01 1.79 2.96 -1.26 -1.18 118.68 124.56 1t3g s LEU 534 Ca 0.06 -0.21 -0.00 0.00 -0.22 0.00 0.00 54.13 53.75 1t3g s LEU 534 Cb -0.27 -0.25 0.01 0.00 0.50 0.00 0.00 46.19 46.18 1t3g s LEU 534 CO 0.02 -0.00 0.02 0.28 -1.32 0.00 0.00 176.35 175.35 1t3g s THR 535 N -0.44 -0.02 -0.07 3.68 -1.32 -0.67 -4.98 115.64 111.81 1t3g s THR 535 Ca -0.01 0.08 0.04 0.00 -1.21 0.00 0.00 61.69 60.60 1t3g s THR 535 Cb -0.04 -0.05 -0.01 0.00 -1.51 0.00 0.00 72.50 70.88 1t3g s THR 535 CO -0.00 0.03 -0.21 0.68 -2.21 0.00 0.00 174.62 172.91 1t3g s VAL 536 N 0.41 2.39 -0.12 5.08 -7.23 -1.26 -1.12 120.40 118.56 1t3g s VAL 536 Ca -0.03 -0.94 0.03 0.00 -1.81 0.00 0.00 61.98 59.23 1t3g s VAL 536 Cb -0.05 -1.91 0.01 0.00 0.56 0.00 0.00 36.38 34.99 1t3g s VAL 536 CO -0.01 0.56 -0.19 -0.63 -0.31 0.00 0.00 175.10 174.52 1t3g s ILE 537 N -0.09 1.81 -0.18 -0.62 1.01 -0.43 -4.98 121.20 117.71 1t3g s ILE 537 Ca -0.05 -0.84 -0.21 0.00 0.00 0.00 0.00 60.65 59.55 1t3g s ILE 537 Cb -0.14 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 1t3g s ILE 537 CO 0.04 0.50 0.64 -0.54 0.00 0.00 0.00 174.94 175.58 1t3g s LYS 538 N 0.76 4.24 -0.63 2.79 -0.14 -1.26 -0.97 119.74 124.52 1t3g s LYS 538 Ca -0.10 0.65 -0.13 0.00 -1.36 0.00 0.00 55.97 55.02 1t3g s LYS 538 Cb -0.16 -3.56 0.16 0.00 -1.68 0.00 0.00 37.83 32.59 1t3g s LYS 538 CO 0.01 -0.21 0.56 -0.46 -0.76 0.00 0.00 175.35 174.50 1t3g s TRP 539 N 1.80 3.46 0.16 3.18 -0.00 0.64 -4.94 118.94 123.25 1t3g s TRP 539 Ca 0.30 -1.71 -0.12 0.00 -0.00 0.00 0.00 56.10 54.56 1t3g s TRP 539 Cb -0.16 -3.72 0.05 0.00 -0.00 0.00 0.00 33.47 29.64 1t3g s TRP 539 CO 0.11 -1.00 1.69 0.45 -0.00 0.00 0.00 176.95 178.20 1t3g h HIS 540 N 8.32 0.89 -1.30 5.86 3.86 -1.88 -3.41 115.15 127.51 1t3g h HIS 540 Ca -0.13 -0.09 0.10 0.00 -1.16 0.00 0.00 60.37 59.09 1t3g h HIS 540 Cb 1.07 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 29.26 1t3g h HIS 540 CO 0.82 0.76 0.25 0.41 0.86 0.00 0.00 177.93 181.03 1t3g n GLY 541 N -0.69 0.38 0.39 2.45 0.00 -1.26 -5.00 105.19 101.46 1t3g n GLY 541 Ca 0.02 -0.86 0.20 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 0.00 -0.19 1.61 0.11 -1.94 -0.89 132.00 130.70 1t3g h PRO 542 Ca -0.05 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 1t3g h PRO 542 Cb 0.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 1t3g h PRO 542 CO 0.07 0.00 0.02 0.87 -0.21 0.00 0.00 178.00 178.76 1t3g h LYS 543 N 0.00 0.27 0.00 1.05 1.57 -2.00 -0.74 116.57 116.72 1t3g h LYS 543 Ca 0.20 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1t3g h LYS 543 Cb 1.18 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1t3g h LYS 543 CO -0.00 0.27 0.00 0.00 -0.57 0.00 0.00 179.45 179.15 1t3g h ASN 545 N 0.00 0.00 -3.73 0.00 2.35 -1.27 -3.40 115.58 109.52 1t3g h ASN 545 Ca 0.00 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.21 1t3g h ASN 545 Cb 0.25 0.00 0.10 0.00 0.05 0.00 0.00 38.32 38.72 1t3g h ASN 545 CO 0.00 0.14 0.82 -0.75 -1.65 0.00 0.00 177.43 175.99 1t3g s LYS 546 N -3.15 4.11 0.63 0.81 2.20 -1.15 -4.90 119.74 118.29 1t3g s LYS 546 Ca 0.06 2.59 -0.16 0.00 -0.36 0.00 0.00 55.97 58.10 1t3g s LYS 546 Cb 0.06 -2.98 -0.14 0.00 -1.51 0.00 0.00 37.83 33.26 1t3g s LYS 546 CO 0.69 -0.58 -0.36 -0.11 -0.36 0.00 0.00 175.35 174.64 1t3g n LEU 547 N 1.04 -4.19 -3.55 5.43 7.94 -1.26 -2.89 117.00 119.52 1t3g n LEU 547 Ca 0.03 0.43 -0.04 0.00 -1.11 0.00 0.00 56.01 55.32 1t3g n LEU 547 Cb 0.38 -0.74 0.00 0.00 0.53 0.00 0.00 43.42 43.60 1t3g n LEU 547 CO 0.64 -4.80 -0.02 -0.46 -1.11 0.00 0.00 177.39 171.64 1t3g n ASN 548 N 2.63 -0.40 -4.96 1.96 2.04 -1.26 -4.91 115.26 110.35 1t3g n ASN 548 Ca 0.04 -0.12 -0.20 0.00 -0.44 0.00 0.00 54.58 53.85 1t3g n ASN 548 Cb 0.46 -0.15 0.07 0.00 -2.53 0.00 0.00 39.78 37.62 1t3g n ASN 548 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1t3g s SER 549 N -4.33 5.00 0.50 0.53 1.04 -1.14 -4.91 113.70 110.39 1t3g s SER 549 Ca 0.04 -0.72 0.20 0.00 0.48 0.00 0.00 55.95 55.94 1t3g s SER 549 Cb -0.02 0.17 1.29 0.00 0.10 0.00 0.00 66.02 67.56 1t3g s SER 549 CO 0.09 -1.40 2.09 0.11 0.98 0.00 0.00 173.24 175.11 1t3g h LYS 550 N 0.08 0.00 0.16 4.02 1.57 -1.90 -1.77 116.57 118.73 1t3g h LYS 550 Ca -0.32 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 1t3g h LYS 550 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1t3g h LYS 550 CO 0.41 0.10 -0.08 0.35 -0.57 0.00 0.00 179.45 179.66 1t3g h PHE 551 N 0.00 -0.20 -0.32 -1.35 3.57 -1.94 -2.43 116.94 114.28 1t3g h PHE 551 Ca -0.00 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1t3g h PHE 551 Cb 0.19 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1t3g h PHE 551 CO 0.00 0.19 -0.05 -1.49 -2.23 0.00 0.00 178.31 174.74 1t3g h TRP 552 N -0.66 0.53 -0.18 0.41 4.06 -1.73 -0.91 115.95 117.47 1t3g h TRP 552 Ca -0.02 -0.06 -0.01 0.00 2.06 0.00 0.00 58.89 60.86 1t3g h TRP 552 Cb 0.48 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.49 1t3g h TRP 552 CO 0.06 0.55 0.07 -0.22 -3.56 0.00 0.00 178.44 175.34 1t3g h LYS 553 N 0.48 0.27 -0.45 0.49 1.63 -1.37 -0.71 116.57 116.92 1t3g h LYS 553 Ca 0.10 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 1t3g h LYS 553 Cb 0.38 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.95 1t3g h LYS 553 CO 0.02 0.35 0.23 -0.09 -3.45 0.00 0.00 179.45 176.51 1t3g h ARG 554 N 0.14 0.64 -0.06 1.90 9.65 -1.10 -2.20 114.38 123.35 1t3g h ARG 554 Ca 0.06 -0.08 -0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1t3g h ARG 554 Cb 0.18 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 28.63 1t3g h ARG 554 CO -0.00 0.52 0.02 1.25 2.80 0.00 0.00 179.97 184.56 1t3g h LEU 555 N 0.59 0.09 -0.84 3.80 5.85 -1.00 -2.02 115.31 121.77 1t3g h LEU 555 Ca 0.16 -0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.81 1t3g h LEU 555 Cb 0.08 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 1t3g h LEU 555 CO -0.02 0.23 0.48 -0.61 -0.34 0.00 0.00 178.44 178.18 1t3g h GLN 556 N -0.06 0.77 -0.91 1.25 4.15 -1.09 -0.45 115.11 118.77 1t3g h GLN 556 Ca 0.02 -0.05 0.04 0.00 0.77 0.00 0.00 58.65 59.44 1t3g h GLN 556 Cb 0.17 -0.17 -0.06 0.00 0.21 0.00 0.00 27.48 27.63 1t3g h GLN 556 CO -0.00 0.51 0.58 -0.92 -1.93 0.00 0.00 178.83 177.07 1t3g h TYR 557 N 0.79 1.08 0.00 3.99 3.20 -1.07 -3.42 116.97 121.54 1t3g h TYR 557 Ca 0.41 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.30 1t3g h TYR 557 Cb 0.40 -0.36 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 1t3g h TYR 557 CO -0.06 0.60 -0.01 0.39 -1.64 0.00 0.00 178.16 177.44 1t3g n GLU 558 N -4.54 0.79 0.00 1.82 -0.58 -0.18 -5.10 120.64 112.85 1t3g n GLU 558 Ca 0.12 -0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 1t3g n GLU 558 Cb 0.12 -1.21 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 1t3g n GLU 558 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1t3g n PRO 560 N 1.73 3.43 -0.89 3.49 -0.02 -1.26 -5.03 135.00 136.46 1t3g n PRO 560 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1t3g n PRO 560 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.87 1t3g n PRO 560 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82