#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f6g h VAL 391 N 0.00 1.51 -3.34 3.15 2.07 -1.94 -3.44 116.25 114.26 3f6g h VAL 391 Ca 0.00 -2.25 -0.64 0.00 0.82 0.00 0.00 66.70 64.63 3f6g h VAL 391 Cb 0.00 2.91 -0.21 0.00 -1.52 0.00 0.00 31.29 32.47 3f6g h VAL 391 CO 0.00 0.64 -0.67 -0.22 0.02 0.00 0.00 177.57 177.34 3f6g s LEU 392 N -8.19 3.27 -0.09 2.57 0.20 -1.26 -4.49 118.68 110.70 3f6g s LEU 392 Ca -0.14 -0.09 0.03 0.00 0.69 0.00 0.00 54.13 54.61 3f6g s LEU 392 Cb 0.02 -1.78 0.01 0.00 -0.43 0.00 0.00 46.19 44.01 3f6g s LEU 392 CO 0.80 0.21 -0.19 -0.89 -0.29 0.00 0.00 176.35 175.99 3f6g s THR 393 N 0.14 1.64 -0.67 3.68 2.01 -0.65 -4.84 115.64 116.95 3f6g s THR 393 Ca -0.01 -0.77 -0.20 0.00 0.31 0.00 0.00 61.69 61.02 3f6g s THR 393 Cb -0.14 -1.45 0.10 0.00 0.01 0.00 0.00 72.50 71.03 3f6g s THR 393 CO 0.03 0.47 0.84 -0.63 -0.69 0.00 0.00 174.62 174.63 3f6g s ILE 394 N 0.51 4.72 0.20 1.82 1.01 -1.26 0.31 121.20 128.50 3f6g s ILE 394 Ca -0.16 -0.99 -0.09 0.00 0.00 0.00 0.00 60.65 59.41 3f6g s ILE 394 Cb -0.17 -4.58 0.13 0.00 0.01 0.00 0.00 42.46 37.85 3f6g s ILE 394 CO 0.06 -1.27 1.75 0.11 0.00 0.00 0.00 174.94 175.60 3f6g h LYS 395 N 9.16 1.12 -2.96 2.79 1.79 -1.04 -3.47 116.57 123.97 3f6g h LYS 395 Ca -0.21 -0.22 0.04 0.00 -2.18 0.00 0.00 60.65 58.08 3f6g h LYS 395 Cb 1.07 -0.17 -0.08 0.00 -1.58 0.00 0.00 32.23 31.47 3f6g h LYS 395 CO 1.11 0.94 0.24 -1.54 -1.08 0.00 0.00 179.45 179.11 3f6g s SER 396 N -6.33 -0.38 -0.23 0.86 1.04 -0.94 -5.00 113.70 102.71 3f6g s SER 396 Ca -0.12 -0.35 -0.27 0.00 0.48 0.00 0.00 55.95 55.68 3f6g s SER 396 Cb 0.15 0.66 0.12 0.00 0.10 0.00 0.00 66.02 67.06 3f6g s SER 396 CO 0.83 -1.17 1.01 0.00 0.98 0.00 0.00 173.24 174.89 3f6g s ASN 398 N -0.29 1.89 -0.03 0.00 -0.87 -0.30 -4.94 114.94 110.41 3f6g s ASN 398 Ca 0.01 -0.31 0.07 0.00 -1.57 0.00 0.00 52.86 51.07 3f6g s ASN 398 Cb -0.03 -0.84 -0.02 0.00 -0.02 0.00 0.00 41.25 40.34 3f6g s ASN 398 CO -0.03 0.00 -0.25 -0.63 -2.57 0.00 0.00 177.10 173.62 3f6g s ILE 399 N 0.90 1.98 -0.04 0.60 1.01 -1.26 -0.59 121.20 123.79 3f6g s ILE 399 Ca -0.10 -1.06 -0.00 0.00 0.00 0.00 0.00 60.65 59.49 3f6g s ILE 399 Cb -0.15 -1.65 0.03 0.00 0.01 0.00 0.00 42.46 40.70 3f6g s ILE 399 CO 0.01 0.56 0.00 -2.28 0.00 0.00 0.00 174.94 173.23 3f6g s HIS 400 N -0.49 0.41 0.13 3.97 2.46 -0.50 -5.02 115.29 116.25 3f6g s HIS 400 Ca 0.07 -0.03 -0.00 0.00 0.47 0.00 0.00 55.06 55.57 3f6g s HIS 400 Cb -0.10 -0.54 0.00 0.00 -0.13 0.00 0.00 32.58 31.81 3f6g s HIS 400 CO 0.00 -0.19 0.17 -1.13 -2.47 0.00 0.00 174.74 171.12 3f6g n SER 401 N 4.49 -0.46 0.00 9.88 3.41 -1.26 -1.65 113.62 128.03 3f6g n SER 401 Ca -0.19 -1.71 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 3f6g n SER 401 Cb 0.50 0.88 0.00 0.00 -0.26 0.00 0.00 64.21 65.33 3f6g n SER 401 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f6g n GLY 402 N -0.22 1.02 3.68 5.00 0.00 -1.26 -4.92 105.19 108.50 3f6g n GLY 402 Ca 0.01 -1.98 -0.40 0.00 0.00 0.00 0.00 46.02 43.65 3f6g n GLY 402 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f6g s ILE 403 N -1.00 5.02 0.00 -0.61 1.01 -1.26 -3.47 121.20 120.88 3f6g s ILE 403 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 60.65 61.94 3f6g s ILE 403 Cb 0.00 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.48 3f6g s ILE 403 CO 0.00 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.70 3f6g n GLY 404 N 3.54 0.61 3.35 6.18 0.00 -1.26 -5.06 105.19 112.55 3f6g n GLY 404 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3f6g n GLY 404 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f6g s ILE 405 N -2.40 2.13 -0.40 -0.61 -1.09 -1.23 -5.10 121.20 112.51 3f6g s ILE 405 Ca 0.00 -1.56 -0.19 0.00 -2.23 0.00 0.00 60.65 56.67 3f6g s ILE 405 Cb 0.00 -1.86 0.01 0.00 -1.58 0.00 0.00 42.46 39.03 3f6g s ILE 405 CO 0.00 0.19 0.57 -0.60 -1.23 0.00 0.00 174.94 173.88 3f6g s ARG 406 N -1.66 3.42 -0.06 2.79 3.52 -1.26 -4.59 118.95 121.10 3f6g s ARG 406 Ca 0.12 -0.30 -0.39 0.00 -0.13 0.00 0.00 55.73 55.03 3f6g s ARG 406 Cb -0.10 -3.89 -0.17 0.00 -1.56 0.00 0.00 34.95 29.23 3f6g s ARG 406 CO 0.04 -0.84 1.42 -2.30 -0.81 0.00 0.00 175.30 172.82 3f6g n PRO 407 N 5.98 0.90 -4.08 5.12 -0.02 -1.26 -4.89 135.00 136.75 3f6g n PRO 407 Ca -0.03 0.33 -0.10 0.00 -2.02 0.00 0.00 63.50 61.67 3f6g n PRO 407 Cb 0.48 -1.95 -0.08 0.00 -0.02 0.00 0.00 33.50 31.93 3f6g n PRO 407 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3f6g s HIS 408 N 1.38 0.71 -0.05 6.00 -3.43 -0.66 -1.51 115.29 117.74 3f6g s HIS 408 Ca 0.90 -1.02 -0.29 0.00 -0.80 0.00 0.00 55.06 53.85 3f6g s HIS 408 Cb -1.07 -0.22 0.06 0.00 -1.43 0.00 0.00 32.58 29.93 3f6g s HIS 408 CO 0.56 -0.73 0.64 0.00 -2.00 0.00 0.00 174.74 173.20 3f6g s ALA 409 N -4.06 -1.66 0.12 -1.38 0.00 -0.28 -1.42 121.76 113.08 3f6g s ALA 409 Ca 0.27 1.21 0.10 0.00 0.00 0.00 0.00 51.96 53.54 3f6g s ALA 409 Cb 0.04 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 3f6g s ALA 409 CO 0.07 -0.36 -0.26 -0.65 0.00 0.00 0.00 175.76 174.56 3f6g s GLN 410 N -1.20 1.41 0.01 0.00 -0.21 0.24 -2.05 119.66 117.86 3f6g s GLN 410 Ca -0.11 -1.30 -0.02 0.00 0.02 0.00 0.00 55.36 53.95 3f6g s GLN 410 Cb -0.01 -1.85 -0.01 0.00 1.00 0.00 0.00 33.01 32.14 3f6g s GLN 410 CO 0.09 0.44 0.02 -1.50 -2.12 0.00 0.00 175.29 172.23 3f6g s ILE 411 N -1.04 0.08 -0.11 1.08 2.07 -0.49 -1.15 121.20 121.64 3f6g s ILE 411 Ca 0.13 -0.69 -0.03 0.00 -1.41 0.00 0.00 60.65 58.65 3f6g s ILE 411 Cb -0.10 -0.27 0.04 0.00 0.13 0.00 0.00 42.46 42.27 3f6g s ILE 411 CO 0.05 -0.38 0.06 -0.70 -1.91 0.00 0.00 174.94 172.06 3f6g s GLU 412 N -1.17 0.18 0.10 3.50 2.12 0.06 -1.64 118.70 121.85 3f6g s GLU 412 Ca -0.13 0.07 0.05 0.00 0.36 0.00 0.00 54.97 55.33 3f6g s GLU 412 Cb -0.08 -1.25 -0.03 0.00 0.26 0.00 0.00 34.13 33.03 3f6g s GLU 412 CO -0.00 -0.48 -0.13 -0.48 -0.54 0.00 0.00 175.26 173.62 3f6g s LEU 413 N 2.09 2.36 -0.19 2.70 0.05 -0.24 -0.35 118.68 125.11 3f6g s LEU 413 Ca 0.03 -0.75 -0.02 0.00 0.05 0.00 0.00 54.13 53.44 3f6g s LEU 413 Cb -0.14 -0.49 -0.00 0.00 -2.05 0.00 0.00 46.19 43.51 3f6g s LEU 413 CO -0.06 -0.15 -0.10 -0.70 -0.55 0.00 0.00 176.35 174.79 3f6g s GLU 414 N -2.41 3.31 -0.06 1.48 2.12 0.15 -0.66 118.70 122.63 3f6g s GLU 414 Ca 0.05 -0.68 -0.03 0.00 0.36 0.00 0.00 54.97 54.67 3f6g s GLU 414 Cb -0.06 -2.82 0.04 0.00 0.26 0.00 0.00 34.13 31.55 3f6g s GLU 414 CO 0.02 -0.09 0.14 -0.47 -0.54 0.00 0.00 175.26 174.32 3f6g s TYR 415 N 1.13 -0.15 -1.52 5.30 5.04 -0.35 -1.64 117.35 125.17 3f6g s TYR 415 Ca 0.01 0.47 -0.02 0.00 -2.44 0.00 0.00 57.07 55.09 3f6g s TYR 415 Cb -0.14 -0.09 0.02 0.00 0.35 0.00 0.00 41.96 42.09 3f6g s TYR 415 CO -0.03 -0.16 0.21 1.04 -1.34 0.00 0.00 175.55 175.27 3f6g n GLN 416 N 4.21 -1.89 -1.81 4.97 6.02 -1.26 -0.93 117.38 126.69 3f6g n GLN 416 Ca -0.27 0.22 -0.10 0.00 -0.01 0.00 0.00 57.00 56.85 3f6g n GLN 416 Cb 0.52 -4.04 -0.02 0.00 1.02 0.00 0.00 30.24 27.71 3f6g n GLN 416 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3f6g n GLY 417 N -2.25 0.45 2.97 1.08 0.00 -1.26 -5.02 105.19 101.15 3f6g n GLY 417 Ca -0.29 -0.52 -0.17 0.00 0.00 0.00 0.00 46.02 45.04 3f6g n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f6g s LYS 418 N -3.80 0.56 -0.20 1.61 1.02 -0.10 -5.13 119.74 113.70 3f6g s LYS 418 Ca 0.00 -0.21 -0.08 0.00 0.02 0.00 0.00 55.97 55.69 3f6g s LYS 418 Cb 0.00 -0.55 -0.04 0.00 -0.52 0.00 0.00 37.83 36.71 3f6g s LYS 418 CO 0.00 0.11 0.09 0.96 -0.92 0.00 0.00 175.35 175.59 3f6g s ILE 419 N -0.01 4.95 -0.09 2.17 -4.36 -1.26 -1.21 121.20 121.39 3f6g s ILE 419 Ca 0.01 0.03 0.04 0.00 -0.26 0.00 0.00 60.65 60.46 3f6g s ILE 419 Cb -0.04 -3.26 -0.01 0.00 1.25 0.00 0.00 42.46 40.40 3f6g s ILE 419 CO -0.00 0.42 -0.22 -1.00 0.24 0.00 0.00 174.94 174.38 3f6g s HIS 420 N 0.65 2.58 -0.08 1.37 3.76 0.17 -4.98 115.29 118.76 3f6g s HIS 420 Ca 0.05 -0.88 0.01 0.00 -0.15 0.00 0.00 55.06 54.09 3f6g s HIS 420 Cb -0.13 -1.71 0.02 0.00 1.11 0.00 0.00 32.58 31.87 3f6g s HIS 420 CO 0.01 -0.32 -0.11 0.15 -0.85 0.00 0.00 174.74 173.62 3f6g s LYS 421 N 0.20 1.70 0.12 1.40 1.02 -1.26 -1.08 119.74 121.84 3f6g s LYS 421 Ca -0.13 -0.38 -0.06 0.00 0.02 0.00 0.00 55.97 55.42 3f6g s LYS 421 Cb -0.16 -1.51 -0.02 0.00 -0.52 0.00 0.00 37.83 35.61 3f6g s LYS 421 CO 0.07 -0.07 0.15 -2.00 -0.92 0.00 0.00 175.35 172.58 3f6g s GLU 422 N 1.01 0.94 0.04 1.68 2.56 -0.65 -5.00 118.70 119.28 3f6g s GLU 422 Ca -0.08 -1.20 -0.03 0.00 0.00 0.00 0.00 54.97 53.66 3f6g s GLU 422 Cb -0.15 0.31 -0.02 0.00 2.00 0.00 0.00 34.13 36.27 3f6g s GLU 422 CO -0.01 -0.30 0.03 -1.50 -0.56 0.00 0.00 175.26 172.93 3f6g s ILE 423 N -3.96 0.15 -0.19 -3.70 2.07 -1.26 -1.40 121.20 112.91 3f6g s ILE 423 Ca 0.15 -1.25 -0.33 0.00 -1.41 0.00 0.00 60.65 57.82 3f6g s ILE 423 Cb 0.05 -0.92 0.14 0.00 0.13 0.00 0.00 42.46 41.87 3f6g s ILE 423 CO -0.03 -0.69 1.18 -0.55 -1.91 0.00 0.00 174.94 172.94 3f6g s SER 424 N -2.19 -0.17 0.46 4.50 0.15 -0.87 -4.75 113.70 110.83 3f6g s SER 424 Ca -0.04 0.08 0.04 0.00 0.70 0.00 0.00 55.95 56.72 3f6g s SER 424 Cb -0.01 0.17 0.01 0.00 -1.71 0.00 0.00 66.02 64.48 3f6g s SER 424 CO -0.05 -0.24 0.65 -1.61 1.20 0.00 0.00 173.24 173.19 3f6g s GLU 425 N -1.97 2.80 0.01 5.44 2.02 -1.26 -1.13 118.70 124.61 3f6g s GLU 425 Ca 0.07 -0.91 -0.01 0.00 0.02 0.00 0.00 54.97 54.14 3f6g s GLU 425 Cb -0.01 -2.63 0.00 0.00 0.10 0.00 0.00 34.13 31.59 3f6g s GLU 425 CO -0.05 -0.39 0.03 0.41 0.02 0.00 0.00 175.26 175.28 3f6g n GLY 426 N -2.05 1.94 0.14 -1.39 0.00 -0.57 -4.47 105.19 98.79 3f6g n GLY 426 Ca 0.06 -1.02 0.12 0.00 0.00 0.00 0.00 46.02 45.18 3f6g n GLY 426 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3f6g h ASP 427 N 0.07 0.00 -5.19 1.61 3.32 -1.86 -3.39 116.42 110.98 3f6g h ASP 427 Ca -0.01 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 3f6g h ASP 427 Cb 0.04 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.48 3f6g h ASP 427 CO 0.01 0.00 -0.15 -0.83 -1.72 0.00 0.00 179.24 176.56 3f6g s GLY 428 N -4.29 0.27 0.14 2.75 0.00 -1.26 -4.86 107.32 100.06 3f6g s GLY 428 Ca 0.02 -0.63 -0.23 0.00 0.00 0.00 0.00 44.72 43.88 3f6g s GLY 428 CO 0.75 -0.58 1.65 -1.33 0.00 0.00 0.00 173.10 173.59 3f6g h GLY 429 N 2.36 -0.16 1.34 0.20 0.00 -1.89 0.41 103.07 105.32 3f6g h GLY 429 Ca -0.29 0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 3f6g h GLY 429 CO 0.42 -0.18 0.26 -1.82 0.00 0.00 0.00 176.54 175.21 3f6g h TYR 430 N -0.25 0.85 -0.65 5.60 3.20 -1.94 0.17 116.97 123.95 3f6g h TYR 430 Ca 0.11 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.87 3f6g h TYR 430 Cb 0.41 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 3f6g h TYR 430 CO -0.33 0.65 0.13 0.22 -1.64 0.00 0.00 178.16 177.19 3f6g h ASP 431 N 0.85 1.00 -0.35 -2.11 3.58 -1.69 -0.14 116.42 117.56 3f6g h ASP 431 Ca 0.21 -0.22 -0.06 0.00 0.42 0.00 0.00 57.03 57.38 3f6g h ASP 431 Cb 0.13 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 3f6g h ASP 431 CO -0.02 0.98 0.00 0.00 -2.88 0.00 0.00 179.24 177.32 3f6g h ALA 432 N 1.14 0.47 -0.21 -0.78 0.00 0.81 -1.38 119.26 119.32 3f6g h ALA 432 Ca 0.20 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3f6g h ALA 432 Cb 0.39 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3f6g h ALA 432 CO 0.01 0.23 -0.06 0.35 0.00 0.00 0.00 179.25 179.78 3f6g h PHE 433 N 0.43 -0.13 -0.07 0.00 3.57 -0.24 -0.16 116.94 120.34 3f6g h PHE 433 Ca 0.10 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 3f6g h PHE 433 Cb 0.46 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 3f6g h PHE 433 CO 0.04 -0.10 -0.29 0.52 -2.23 0.00 0.00 178.31 176.25 3f6g h MET 434 N -0.01 0.13 -0.65 1.11 2.86 -0.94 0.44 114.93 117.86 3f6g h MET 434 Ca 0.10 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 3f6g h MET 434 Cb 0.16 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3f6g h MET 434 CO -0.22 0.41 0.06 -0.91 1.06 0.00 0.00 176.91 177.31 3f6g h ASN 435 N 0.12 1.07 -0.11 1.22 2.35 -0.48 0.19 115.58 119.94 3f6g h ASN 435 Ca 0.02 -0.28 -0.17 0.00 -0.55 0.00 0.00 56.30 55.32 3f6g h ASN 435 Cb 0.57 -0.29 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 3f6g h ASN 435 CO 0.04 1.09 -0.53 0.00 -1.65 0.00 0.00 177.43 176.38 3f6g h ALA 436 N 1.02 0.62 -0.66 -0.83 0.00 -0.56 -2.94 119.26 115.92 3f6g h ALA 436 Ca 0.19 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3f6g h ALA 436 Cb 0.50 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3f6g h ALA 436 CO 0.02 0.68 0.08 1.25 0.00 0.00 0.00 179.25 181.28 3f6g h LEU 437 N 0.53 1.07 -1.77 0.00 5.85 -0.61 -2.77 115.31 117.62 3f6g h LEU 437 Ca 0.02 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 3f6g h LEU 437 Cb 1.10 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 3f6g h LEU 437 CO 0.11 1.07 0.02 0.74 -0.34 0.00 0.00 178.44 180.04 3f6g h THR 438 N 1.03 1.07 -0.38 1.05 2.02 -0.52 -0.38 112.91 116.80 3f6g h THR 438 Ca 0.20 -0.25 -0.09 0.00 0.77 0.00 0.00 66.41 67.04 3f6g h THR 438 Cb 0.48 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 3f6g h THR 438 CO 0.02 0.08 -0.14 0.11 0.37 0.00 0.00 175.52 175.97 3f6g h LYS 439 N 0.16 0.69 0.18 6.66 1.57 -1.32 0.25 116.57 124.76 3f6g h LYS 439 Ca 0.04 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 3f6g h LYS 439 Cb 0.09 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3f6g h LYS 439 CO -0.00 0.80 -0.08 0.82 -0.57 0.00 0.00 179.45 180.41 3f6g h ILE 440 N 0.62 0.91 -0.86 1.86 2.04 -1.20 -2.79 117.51 118.09 3f6g h ILE 440 Ca 0.10 -0.98 0.07 0.00 1.00 0.00 0.00 64.86 65.06 3f6g h ILE 440 Cb 0.59 1.44 -0.07 0.00 -0.74 0.00 0.00 36.82 38.04 3f6g h ILE 440 CO 0.04 0.20 0.53 0.71 0.00 0.00 0.00 178.15 179.63 3f6g h THR 441 N -0.76 1.00 -0.61 -0.27 1.35 -1.07 -0.74 112.91 111.81 3f6g h THR 441 Ca -0.02 -0.32 0.06 0.00 -0.55 0.00 0.00 66.41 65.57 3f6g h THR 441 Cb 0.52 -0.01 -0.05 0.00 -1.73 0.00 0.00 68.15 66.87 3f6g h THR 441 CO 0.04 0.17 0.33 0.78 -0.25 0.00 0.00 175.52 176.59 3f6g h ASN 442 N 0.93 0.48 -0.20 5.36 2.35 -0.97 0.12 115.58 123.65 3f6g h ASN 442 Ca 0.39 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 56.14 3f6g h ASN 442 Cb 0.24 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 3f6g h ASN 442 CO -0.20 0.31 0.02 0.03 -1.65 0.00 0.00 177.43 175.95 3f6g h ARG 443 N 0.61 0.44 -0.00 0.81 3.08 -0.88 -2.11 114.38 116.32 3f6g h ARG 443 Ca 0.28 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3f6g h ARG 443 Cb 0.18 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3f6g h ARG 443 CO -0.18 0.45 -0.16 1.28 -1.07 0.00 0.00 179.97 180.28 3f6g n LEU 444 N -4.33 0.28 0.00 3.04 4.77 -0.34 -4.91 117.00 115.51 3f6g n LEU 444 Ca 0.01 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3f6g n LEU 444 Cb 0.21 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3f6g n LEU 444 CO 0.38 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3f6g n GLY 445 N 1.42 0.42 3.71 -0.72 0.00 0.17 -5.03 105.19 105.17 3f6g n GLY 445 Ca 0.09 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 3f6g n GLY 445 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f6g s ILE 446 N -2.00 5.39 -0.23 -0.61 1.01 0.09 -5.00 121.20 119.86 3f6g s ILE 446 Ca 0.00 0.19 -0.13 0.00 0.00 0.00 0.00 60.65 60.71 3f6g s ILE 446 Cb 0.00 -3.48 -0.05 0.00 0.01 0.00 0.00 42.46 38.95 3f6g s ILE 446 CO 0.00 0.41 0.26 -0.55 0.00 0.00 0.00 174.94 175.07 3f6g s SER 447 N 0.55 6.25 0.15 3.58 0.15 -1.26 -3.96 113.70 119.16 3f6g s SER 447 Ca 0.08 0.28 -0.28 0.00 0.70 0.00 0.00 55.95 56.72 3f6g s SER 447 Cb -0.12 -2.16 -0.07 0.00 -1.71 0.00 0.00 66.02 61.96 3f6g s SER 447 CO -0.00 -0.00 0.89 -0.63 1.20 0.00 0.00 173.24 174.70 3f6g s ILE 448 N 1.20 4.37 0.63 6.45 1.01 -1.26 -5.02 121.20 128.58 3f6g s ILE 448 Ca 0.12 1.95 -0.19 0.00 0.00 0.00 0.00 60.65 62.54 3f6g s ILE 448 Cb -0.14 -4.26 -0.02 0.00 0.01 0.00 0.00 42.46 38.04 3f6g s ILE 448 CO 0.06 0.42 1.27 -2.65 0.00 0.00 0.00 174.94 174.04 3f6g n PRO 449 N 2.17 1.19 -2.55 2.79 -0.02 -1.26 -4.95 135.00 132.37 3f6g n PRO 449 Ca -0.01 0.46 -0.40 0.00 -2.02 0.00 0.00 63.50 61.53 3f6g n PRO 449 Cb 0.49 -2.50 -0.05 0.00 -0.02 0.00 0.00 33.50 31.42 3f6g n PRO 449 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3f6g s LYS 450 N -3.22 4.70 -0.37 -0.52 2.20 -0.18 -4.81 119.74 117.53 3f6g s LYS 450 Ca 0.80 1.72 -0.26 0.00 -0.36 0.00 0.00 55.97 57.87 3f6g s LYS 450 Cb -0.39 -3.22 0.02 0.00 -1.51 0.00 0.00 37.83 32.73 3f6g s LYS 450 CO 0.42 0.28 0.95 -1.17 -0.36 0.00 0.00 175.35 175.48 3f6g s LEU 451 N -1.30 3.97 -0.21 5.43 2.96 -1.26 -1.63 118.68 126.63 3f6g s LEU 451 Ca 0.44 0.59 -0.06 0.00 -0.22 0.00 0.00 54.13 54.89 3f6g s LEU 451 Cb -0.30 -3.30 -0.19 0.00 0.50 0.00 0.00 46.19 42.89 3f6g s LEU 451 CO 0.38 -0.89 -0.01 -0.38 -1.32 0.00 0.00 176.35 174.13 3f6g n ILE 452 N 6.04 1.60 -4.03 6.68 2.08 0.71 -5.00 119.36 127.44 3f6g n ILE 452 Ca 0.08 -0.51 -0.10 0.00 0.56 0.00 0.00 62.75 62.77 3f6g n ILE 452 Cb 0.48 -1.66 -0.11 0.00 -0.75 0.00 0.00 39.64 37.61 3f6g n ILE 452 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3f6g s ASP 453 N -6.87 0.49 -0.08 4.38 2.15 -1.05 -4.98 116.67 110.71 3f6g s ASP 453 Ca -0.31 -0.60 -0.02 0.00 0.43 0.00 0.00 52.55 52.05 3f6g s ASP 453 Cb 0.09 0.09 0.03 0.00 -0.30 0.00 0.00 42.92 42.83 3f6g s ASP 453 CO 0.64 -0.32 0.02 -0.47 -0.17 0.00 0.00 175.17 174.87 3f6g s TYR 454 N -1.85 0.52 -0.04 -5.34 5.04 -1.26 -0.85 117.35 113.57 3f6g s TYR 454 Ca -0.10 -0.12 0.07 0.00 -2.44 0.00 0.00 57.07 54.48 3f6g s TYR 454 Cb -0.07 -0.73 -0.01 0.00 0.35 0.00 0.00 41.96 41.49 3f6g s TYR 454 CO -0.02 -0.32 -0.25 -1.21 -1.34 0.00 0.00 175.55 172.41 3f6g s GLU 455 N 2.02 2.33 -0.04 4.97 2.02 0.24 -5.00 118.70 125.23 3f6g s GLU 455 Ca 0.04 -0.90 0.01 0.00 0.02 0.00 0.00 54.97 54.14 3f6g s GLU 455 Cb -0.13 -2.08 0.02 0.00 0.10 0.00 0.00 34.13 32.05 3f6g s GLU 455 CO -0.05 0.45 -0.05 0.08 0.02 0.00 0.00 175.26 175.71 3f6g s VAL 456 N -0.34 0.54 -0.03 2.63 1.01 -1.26 -0.90 120.40 122.05 3f6g s VAL 456 Ca 0.02 -0.12 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 3f6g s VAL 456 Cb -0.12 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.71 3f6g s VAL 456 CO 0.02 0.23 0.23 -0.13 0.00 0.00 0.00 175.10 175.44 3f6g s ARG 457 N 0.92 0.49 0.22 2.72 0.52 -0.50 -4.99 118.95 118.33 3f6g s ARG 457 Ca -0.11 -0.11 0.10 0.00 -0.52 0.00 0.00 55.73 55.09 3f6g s ARG 457 Cb -0.14 0.22 -0.04 0.00 0.52 0.00 0.00 34.95 35.50 3f6g s ARG 457 CO 0.00 -0.12 -0.08 0.96 0.02 0.00 0.00 175.30 176.08 3f6g s ILE 458 N -0.92 3.15 0.71 1.52 -4.36 -1.26 -0.70 121.20 119.35 3f6g s ILE 458 Ca -0.10 -1.85 -0.14 0.00 -0.26 0.00 0.00 60.65 58.30 3f6g s ILE 458 Cb -0.05 -2.61 0.03 0.00 1.25 0.00 0.00 42.46 41.08 3f6g s ILE 458 CO 0.02 -0.23 1.13 -2.16 0.24 0.00 0.00 174.94 173.94 3f6g s PRO 459 N -3.18 2.41 0.38 0.37 0.04 -1.26 -4.94 135.00 128.82 3f6g s PRO 459 Ca 0.27 1.46 -0.27 0.00 0.04 0.00 0.00 61.00 62.50 3f6g s PRO 459 Cb -0.08 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.46 3f6g s PRO 459 CO 0.16 -1.57 1.32 -0.35 0.04 0.00 0.00 177.00 176.60 3f6g n PRO 460 N -2.81 2.15 -0.60 0.56 -0.04 -1.26 -3.70 135.00 129.30 3f6g n PRO 460 Ca 0.11 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.33 3f6g n PRO 460 Cb 0.52 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 3f6g n PRO 460 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3f6g n GLY 461 N 0.73 0.64 3.70 0.55 0.00 -1.26 -5.02 105.19 104.53 3f6g n GLY 461 Ca 0.05 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 3f6g n GLY 461 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f6g n GLY 462 N -0.39 0.89 3.09 -0.02 0.00 -1.24 -5.03 105.19 102.48 3f6g n GLY 462 Ca 0.00 0.44 -0.11 0.00 0.00 0.00 0.00 46.02 46.34 3f6g n GLY 462 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f6g s LYS 463 N -0.87 0.42 0.53 1.61 1.02 -1.26 -5.05 119.74 116.14 3f6g s LYS 463 Ca 0.63 -0.24 0.31 0.00 0.02 0.00 0.00 55.97 56.69 3f6g s LYS 463 Cb -0.58 0.18 1.46 0.00 -0.52 0.00 0.00 37.83 38.37 3f6g s LYS 463 CO 0.53 -0.09 1.90 1.15 -0.92 0.00 0.00 175.35 177.91 3f6g h THR 464 N 4.41 0.57 -0.55 2.17 2.02 -2.04 0.10 112.91 119.60 3f6g h THR 464 Ca -0.29 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.88 3f6g h THR 464 Cb 1.19 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 3f6g h THR 464 CO 0.40 0.00 0.00 -0.90 0.37 0.00 0.00 175.52 175.40 3f6g n ASP 465 N -4.28 4.60 -4.76 4.18 5.75 -1.26 -5.00 116.55 115.77 3f6g n ASP 465 Ca 0.18 -2.55 -0.39 0.00 -0.01 0.00 0.00 54.79 52.02 3f6g n ASP 465 Cb 0.93 -0.59 0.01 0.00 -1.03 0.00 0.00 41.12 40.44 3f6g n ASP 465 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3f6g s ALA 466 N -2.08 3.15 0.43 2.12 0.00 0.35 -4.95 121.76 120.78 3f6g s ALA 466 Ca 0.46 1.35 -0.25 0.00 0.00 0.00 0.00 51.96 53.52 3f6g s ALA 466 Cb 0.32 -3.55 -0.08 0.00 0.00 0.00 0.00 23.12 19.81 3f6g s ALA 466 CO 0.19 -1.11 1.33 -0.51 0.00 0.00 0.00 175.76 175.66 3f6g s LEU 467 N -2.82 4.15 -0.09 0.00 1.43 -1.26 -4.69 118.68 115.40 3f6g s LEU 467 Ca 0.62 2.71 0.00 0.00 -1.03 0.00 0.00 54.13 56.43 3f6g s LEU 467 Cb -0.41 -3.96 -0.03 0.00 0.03 0.00 0.00 46.19 41.82 3f6g s LEU 467 CO 0.52 -1.00 -0.08 -0.69 0.23 0.00 0.00 176.35 175.33 3f6g s VAL 468 N -1.27 3.58 -0.24 -1.59 1.01 0.17 -4.21 120.40 117.85 3f6g s VAL 468 Ca 0.60 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 62.06 3f6g s VAL 468 Cb -0.39 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.54 3f6g s VAL 468 CO 0.50 0.57 -0.09 -0.70 0.00 0.00 0.00 175.10 175.37 3f6g s GLU 469 N -0.40 2.74 -0.12 2.72 2.12 0.12 -0.82 118.70 125.07 3f6g s GLU 469 Ca 0.06 -1.03 -0.00 0.00 0.36 0.00 0.00 54.97 54.35 3f6g s GLU 469 Cb -0.12 -2.90 -0.02 0.00 0.26 0.00 0.00 34.13 31.35 3f6g s GLU 469 CO 0.02 -0.40 -0.10 0.99 -0.54 0.00 0.00 175.26 175.22 3f6g s THR 470 N 1.27 3.32 -0.16 -1.70 2.01 0.12 -1.42 115.64 119.08 3f6g s THR 470 Ca -0.01 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.42 3f6g s THR 470 Cb -0.17 -2.40 0.02 0.00 0.01 0.00 0.00 72.50 69.97 3f6g s THR 470 CO -0.06 0.53 -0.19 -0.13 -0.69 0.00 0.00 174.62 174.08 3f6g s ARG 471 N 0.10 2.82 -0.04 4.92 0.52 -0.08 -0.28 118.95 126.93 3f6g s ARG 471 Ca -0.04 -0.77 0.04 0.00 -0.52 0.00 0.00 55.73 54.44 3f6g s ARG 471 Cb -0.14 -2.43 -0.03 0.00 0.52 0.00 0.00 34.95 32.87 3f6g s ARG 471 CO 0.04 -0.18 -0.13 0.42 0.02 0.00 0.00 175.30 175.47 3f6g s ILE 472 N 1.24 3.17 -0.16 1.52 1.01 -0.21 -0.59 121.20 127.18 3f6g s ILE 472 Ca 0.03 -0.75 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 3f6g s ILE 472 Cb -0.13 -2.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 3f6g s ILE 472 CO -0.10 0.54 -0.08 -0.89 0.00 0.00 0.00 174.94 174.40 3f6g s THR 473 N -0.79 3.33 0.39 2.92 2.01 -0.03 -1.69 115.64 121.78 3f6g s THR 473 Ca 0.13 -0.55 0.08 0.00 0.31 0.00 0.00 61.69 61.66 3f6g s THR 473 Cb -0.11 -2.45 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 3f6g s THR 473 CO 0.02 0.49 0.16 0.26 -0.69 0.00 0.00 174.62 174.86 3f6g s TRP 474 N 0.68 2.62 -0.23 4.92 0.52 -0.67 -0.21 118.94 126.57 3f6g s TRP 474 Ca -0.04 -0.53 -0.23 0.00 0.02 0.00 0.00 56.10 55.31 3f6g s TRP 474 Cb -0.15 -1.86 0.06 0.00 -1.15 0.00 0.00 33.47 30.37 3f6g s TRP 474 CO 0.02 0.23 0.65 1.21 0.02 0.00 0.00 176.95 179.09 3f6g s ASN 475 N -3.88 -0.68 -0.05 2.95 2.47 -0.65 -2.35 114.94 112.75 3f6g s ASN 475 Ca 0.40 1.28 0.08 0.00 0.42 0.00 0.00 52.86 55.04 3f6g s ASN 475 Cb 0.02 1.29 -0.24 0.00 -1.45 0.00 0.00 41.25 40.87 3f6g s ASN 475 CO 0.22 -0.25 0.63 0.11 -3.72 0.00 0.00 177.10 174.09 3f6g h LYS 476 N 4.99 0.07 -2.99 0.43 1.57 -1.95 -0.44 116.57 118.24 3f6g h LYS 476 Ca -0.28 -0.11 -0.32 0.00 -1.87 0.00 0.00 60.65 58.06 3f6g h LYS 476 Cb 1.16 0.04 -0.37 0.00 0.08 0.00 0.00 32.23 33.15 3f6g h LYS 476 CO 0.11 0.68 -0.65 -0.08 -0.57 0.00 0.00 179.45 178.94 3f6g s THR 485 N -2.59 -0.24 0.24 -0.16 -1.32 -1.26 -4.72 115.64 105.58 3f6g s THR 485 Ca -0.08 0.21 0.06 0.00 -1.21 0.00 0.00 61.69 60.67 3f6g s THR 485 Cb 0.08 -0.39 -0.02 0.00 -1.51 0.00 0.00 72.50 70.66 3f6g s THR 485 CO 0.81 0.04 0.20 2.22 -2.21 0.00 0.00 174.62 175.68 3f6g n PHE 486 N 5.32 -0.57 -4.08 9.09 1.16 -0.99 -4.99 117.46 122.40 3f6g n PHE 486 Ca -0.05 -2.02 -0.14 0.00 -1.87 0.00 0.00 57.45 53.38 3f6g n PHE 486 Cb 0.50 0.21 -0.13 0.00 -1.61 0.00 0.00 39.48 38.45 3f6g n PHE 486 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 3f6g s LYS 487 N -2.98 0.43 0.14 3.97 1.02 -1.26 -1.67 119.74 119.40 3f6g s LYS 487 Ca 0.29 -0.47 0.06 0.00 0.02 0.00 0.00 55.97 55.87 3f6g s LYS 487 Cb 0.01 -0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 37.00 3f6g s LYS 487 CO 0.20 0.06 -0.14 0.95 -0.92 0.00 0.00 175.35 175.50 3f6g s THR 488 N -0.79 1.44 0.11 2.17 -4.23 -0.68 -4.98 115.64 108.68 3f6g s THR 488 Ca -0.05 -1.84 0.06 0.00 -1.18 0.00 0.00 61.69 58.68 3f6g s THR 488 Cb -0.06 -1.68 -0.04 0.00 1.34 0.00 0.00 72.50 72.07 3f6g s THR 488 CO 0.00 -0.45 -0.15 -0.32 -0.54 0.00 0.00 174.62 173.15 3f6g s MET 489 N -2.92 0.99 -0.03 3.99 1.75 -1.26 -1.04 119.30 120.79 3f6g s MET 489 Ca 0.12 -1.17 -0.03 0.00 -1.25 0.00 0.00 55.69 53.37 3f6g s MET 489 Cb -0.04 -0.96 0.01 0.00 2.84 0.00 0.00 34.83 36.68 3f6g s MET 489 CO 0.04 0.20 0.09 0.20 -0.65 0.00 0.00 175.02 174.89 3f6g s GLY 490 N -2.22 -0.04 -0.11 2.11 0.00 0.62 -4.03 107.32 103.64 3f6g s GLY 490 Ca 0.06 0.18 0.01 0.00 0.00 0.00 0.00 44.72 44.97 3f6g s GLY 490 CO 0.03 0.14 -0.12 0.14 0.00 0.00 0.00 173.10 173.29 3f6g s VAL 491 N -0.14 1.29 -0.11 1.40 1.01 -1.26 0.10 120.40 122.70 3f6g s VAL 491 Ca -0.02 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 3f6g s VAL 491 Cb -0.02 -1.22 0.11 0.00 0.00 0.00 0.00 36.38 35.25 3f6g s VAL 491 CO 0.00 0.40 0.93 -2.28 0.00 0.00 0.00 175.10 174.16 3f6g s HIS 492 N 1.24 -0.40 0.35 5.22 5.04 0.00 -4.85 115.29 121.90 3f6g s HIS 492 Ca -0.02 0.59 0.22 0.00 -1.54 0.00 0.00 55.06 54.30 3f6g s HIS 492 Cb -0.14 0.47 1.10 0.00 0.04 0.00 0.00 32.58 34.05 3f6g s HIS 492 CO -0.04 -0.42 1.94 -1.35 -2.34 0.00 0.00 174.74 172.52 3f6g h PRO 493 N 2.48 0.00 -4.85 2.88 0.11 -1.85 0.49 132.00 131.25 3f6g h PRO 493 Ca -0.20 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.26 3f6g h PRO 493 Cb 1.18 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.11 3f6g h PRO 493 CO 0.32 0.22 -0.51 0.34 -0.21 0.00 0.00 178.00 178.16 3f6g s ASP 494 N -6.44 6.03 0.56 -2.05 2.15 -1.26 -4.60 116.67 111.06 3f6g s ASP 494 Ca -0.02 -0.12 0.32 0.00 0.43 0.00 0.00 52.55 53.16 3f6g s ASP 494 Cb 0.13 -2.12 1.66 0.00 -0.30 0.00 0.00 42.92 42.29 3f6g s ASP 494 CO 0.64 -0.10 2.14 0.06 -0.17 0.00 0.00 175.17 177.74 3f6g h GLN 495 N 8.40 0.00 -0.07 4.34 3.07 -1.94 -1.42 115.11 127.49 3f6g h GLN 495 Ca -0.34 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.17 3f6g h GLN 495 Cb 1.18 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.75 3f6g h GLN 495 CO 0.57 0.07 -0.89 1.15 0.09 0.00 0.00 178.83 179.82 3f6g h THR 496 N 0.00 1.31 -0.29 1.86 2.02 -1.95 -2.90 112.91 112.96 3f6g h THR 496 Ca -0.00 -2.16 -0.06 0.00 0.77 0.00 0.00 66.41 64.96 3f6g h THR 496 Cb 0.26 2.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 3f6g h THR 496 CO 0.01 0.67 -0.08 0.58 0.37 0.00 0.00 175.52 177.06 3f6g h VAL 497 N 0.41 1.21 -0.69 3.16 2.07 -1.78 -1.77 116.25 118.87 3f6g h VAL 497 Ca -0.08 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 3f6g h VAL 497 Cb 1.52 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 3f6g h VAL 497 CO 0.17 0.30 0.31 0.00 0.02 0.00 0.00 177.57 178.37 3f6g h ALA 498 N 1.47 1.24 -0.28 1.67 0.00 -1.18 -0.96 119.26 121.22 3f6g h ALA 498 Ca 0.09 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3f6g h ALA 498 Cb 0.42 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3f6g h ALA 498 CO 0.02 0.57 -0.08 0.00 0.00 0.00 0.00 179.25 179.77 3f6g h ALA 499 N 1.35 0.39 -0.97 0.00 0.00 -1.19 -2.62 119.26 116.23 3f6g h ALA 499 Ca 0.24 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3f6g h ALA 499 Cb 0.14 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 3f6g h ALA 499 CO -0.03 0.22 0.62 0.28 0.00 0.00 0.00 179.25 180.34 3f6g h VAL 500 N 0.31 1.11 -0.61 0.00 2.07 -0.91 0.13 116.25 118.34 3f6g h VAL 500 Ca 0.07 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 3f6g h VAL 500 Cb 0.56 -0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 3f6g h VAL 500 CO 0.03 0.21 0.23 0.45 0.02 0.00 0.00 177.57 178.51 3f6g h HIS 501 N 1.16 0.91 -0.12 1.57 3.86 -1.05 0.19 115.15 121.68 3f6g h HIS 501 Ca 0.40 -0.06 -0.18 0.00 -1.16 0.00 0.00 60.37 59.38 3f6g h HIS 501 Cb 0.10 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.29 3f6g h HIS 501 CO -0.01 0.71 -0.67 0.00 0.86 0.00 0.00 177.93 178.82 3f6g h ALA 502 N 1.37 0.61 -0.37 2.45 0.00 -0.93 -1.98 119.26 120.40 3f6g h ALA 502 Ca 0.21 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 3f6g h ALA 502 Cb 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3f6g h ALA 502 CO -0.02 0.73 -0.20 1.15 0.00 0.00 0.00 179.25 180.91 3f6g h THR 503 N 0.35 1.27 -0.67 0.00 2.02 -0.04 -0.04 112.91 115.79 3f6g h THR 503 Ca -0.02 -1.29 -0.08 0.00 0.77 0.00 0.00 66.41 65.80 3f6g h THR 503 Cb 1.24 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.82 3f6g h THR 503 CO 0.12 0.43 0.12 -0.08 0.37 0.00 0.00 175.52 176.48 3f6g h GLU 504 N 0.63 1.10 -0.36 6.66 4.81 -0.46 -1.24 114.58 125.73 3f6g h GLU 504 Ca 0.09 -0.29 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 3f6g h GLU 504 Cb 0.69 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 3f6g h GLU 504 CO 0.05 1.00 0.10 0.87 -0.73 0.00 0.00 179.01 180.31 3f6g h LYS 505 N 1.03 0.56 -0.63 1.92 1.57 -0.96 -1.69 116.57 118.37 3f6g h LYS 505 Ca 0.20 -0.13 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 3f6g h LYS 505 Cb 0.43 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 3f6g h LYS 505 CO 0.01 0.59 0.36 1.98 -0.57 0.00 0.00 179.45 181.82 3f6g h MET 506 N 0.42 0.66 -0.35 3.15 4.05 -0.78 -1.22 114.93 120.87 3f6g h MET 506 Ca 0.11 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.51 3f6g h MET 506 Cb 0.27 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.90 3f6g h MET 506 CO -0.00 0.44 0.21 -0.07 0.23 0.00 0.00 176.91 177.71 3f6g h LEU 507 N 0.68 0.35 -1.06 3.39 3.38 -0.92 0.03 115.31 121.15 3f6g h LEU 507 Ca 0.27 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.17 3f6g h LEU 507 Cb 0.12 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3f6g h LEU 507 CO -0.15 0.25 -0.13 0.78 0.09 0.00 0.00 178.44 179.29 3f6g h ASN 508 N 0.43 0.50 0.49 -0.43 2.35 -1.01 -0.52 115.58 117.40 3f6g h ASN 508 Ca 0.13 -0.13 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 3f6g h ASN 508 Cb -0.01 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 3f6g h ASN 508 CO -0.05 0.66 -0.46 1.56 -1.65 0.00 0.00 177.43 177.49 3f6g h GLN 509 N 0.48 0.00 0.00 0.81 4.20 -0.60 -2.99 115.11 117.02 3f6g h GLN 509 Ca 0.09 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.59 3f6g h GLN 509 Cb 0.51 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 3f6g h GLN 509 CO 0.03 0.46 -1.05 0.82 -0.67 0.00 0.00 178.83 178.42 3f6g h ILE 510 N 0.00 1.41 -1.01 2.54 1.08 -0.45 -3.33 117.51 117.76 3f6g h ILE 510 Ca -0.00 -3.09 -0.57 0.00 -0.39 0.00 0.00 64.86 60.81 3f6g h ILE 510 Cb 0.83 2.69 -0.23 0.00 -3.07 0.00 0.00 36.82 37.04 3f6g h ILE 510 CO 0.06 0.81 0.72 0.18 -0.69 0.00 0.00 178.15 179.23 3f6g n LEU 511 N -3.27 7.21 -0.92 1.44 4.77 -0.25 -5.09 117.00 120.88 3f6g n LEU 511 Ca -0.03 -4.07 0.12 0.00 -0.03 0.00 0.00 56.01 52.00 3f6g n LEU 511 Cb 0.92 -1.04 0.13 0.00 -2.33 0.00 0.00 43.42 41.10 3f6g n LEU 511 CO 0.46 1.48 0.65 1.67 -1.33 0.00 0.00 177.39 180.31