#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f6h n VAL 391 N 0.00 1.56 -5.11 3.15 0.31 -1.26 -4.95 118.33 112.03 3f6h n VAL 391 Ca 0.00 -0.63 -0.32 0.00 -0.01 0.00 0.00 64.34 63.38 3f6h n VAL 391 Cb 0.00 -1.39 -0.15 0.00 -0.91 0.00 0.00 33.84 31.39 3f6h n VAL 391 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3f6h s LEU 392 N -6.54 2.35 -0.07 7.52 0.20 -1.26 -4.40 118.68 116.48 3f6h s LEU 392 Ca -0.28 -0.37 0.01 0.00 0.69 0.00 0.00 54.13 54.19 3f6h s LEU 392 Cb 0.08 -1.45 0.02 0.00 -0.43 0.00 0.00 46.19 44.41 3f6h s LEU 392 CO 0.68 0.30 -0.09 -0.89 -0.29 0.00 0.00 176.35 176.06 3f6h s THR 393 N -0.48 0.99 -0.63 3.68 2.01 -0.69 -4.85 115.64 115.66 3f6h s THR 393 Ca 0.06 -0.35 -0.28 0.00 0.31 0.00 0.00 61.69 61.43 3f6h s THR 393 Cb -0.11 -0.95 0.03 0.00 0.01 0.00 0.00 72.50 71.48 3f6h s THR 393 CO 0.01 0.33 1.22 -0.63 -0.69 0.00 0.00 174.62 174.86 3f6h s ILE 394 N 1.00 3.94 0.11 1.82 1.09 -1.26 0.16 121.20 128.05 3f6h s ILE 394 Ca -0.09 0.76 -0.12 0.00 -1.10 0.00 0.00 60.65 60.10 3f6h s ILE 394 Cb -0.15 -4.78 -0.12 0.00 -1.06 0.00 0.00 42.46 36.35 3f6h s ILE 394 CO -0.00 -1.49 1.36 0.11 -0.10 0.00 0.00 174.94 174.82 3f6h h LYS 395 N 9.68 0.83 -2.62 2.79 1.79 -0.62 -3.47 116.57 124.95 3f6h h LYS 395 Ca -0.26 -0.58 0.01 0.00 -2.18 0.00 0.00 60.65 57.64 3f6h h LYS 395 Cb 1.05 0.09 -0.14 0.00 -1.58 0.00 0.00 32.23 31.65 3f6h h LYS 395 CO 1.21 1.21 0.29 -1.54 -1.08 0.00 0.00 179.45 179.54 3f6h s SER 396 N -6.98 -0.53 -0.03 0.86 1.04 -0.96 -5.03 113.70 102.08 3f6h s SER 396 Ca -0.11 0.12 -0.30 0.00 0.48 0.00 0.00 55.95 56.15 3f6h s SER 396 Cb 0.09 0.53 0.07 0.00 0.10 0.00 0.00 66.02 66.81 3f6h s SER 396 CO 0.89 -0.81 0.69 0.00 0.98 0.00 0.00 173.24 174.99 3f6h s ASN 398 N -1.42 0.86 -0.10 0.00 2.20 -1.03 -4.99 114.94 110.47 3f6h s ASN 398 Ca -0.09 0.06 -0.01 0.00 -0.94 0.00 0.00 52.86 51.88 3f6h s ASN 398 Cb -0.00 -0.13 -0.03 0.00 -2.00 0.00 0.00 41.25 39.09 3f6h s ASN 398 CO 0.06 -0.22 -0.04 -0.63 -2.94 0.00 0.00 177.10 173.34 3f6h s ILE 399 N 1.87 3.92 -0.05 0.54 1.01 -1.26 -1.96 121.20 125.27 3f6h s ILE 399 Ca 0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 3f6h s ILE 399 Cb -0.12 -2.66 0.03 0.00 0.01 0.00 0.00 42.46 39.72 3f6h s ILE 399 CO -0.03 0.56 0.02 -2.28 0.00 0.00 0.00 174.94 173.22 3f6h s HIS 400 N -0.43 0.36 0.26 3.97 2.46 -0.62 -5.03 115.29 116.27 3f6h s HIS 400 Ca 0.07 0.03 -0.03 0.00 0.47 0.00 0.00 55.06 55.60 3f6h s HIS 400 Cb -0.12 -0.60 0.01 0.00 -0.13 0.00 0.00 32.58 31.74 3f6h s HIS 400 CO 0.02 -0.23 0.39 -1.13 -2.47 0.00 0.00 174.74 171.32 3f6h n SER 401 N 4.98 -1.10 0.00 9.88 3.41 -1.26 -2.12 113.62 127.41 3f6h n SER 401 Ca -0.10 -2.35 0.00 0.00 -0.26 0.00 0.00 58.87 56.16 3f6h n SER 401 Cb 0.50 2.01 0.00 0.00 -0.26 0.00 0.00 64.21 66.46 3f6h n SER 401 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f6h n GLY 402 N -0.42 0.33 3.63 5.00 0.00 -1.26 -4.92 105.19 107.55 3f6h n GLY 402 Ca -0.01 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 3f6h n GLY 402 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f6h s ILE 403 N -1.68 4.70 0.00 -0.61 1.01 -1.26 -2.78 121.20 120.57 3f6h s ILE 403 Ca 0.00 1.50 0.00 0.00 0.00 0.00 0.00 60.65 62.15 3f6h s ILE 403 Cb 0.00 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.23 3f6h s ILE 403 CO 0.00 -0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.26 3f6h n GLY 404 N 3.94 0.37 3.33 6.18 0.00 -1.26 -5.07 105.19 112.68 3f6h n GLY 404 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 3f6h n GLY 404 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f6h s ILE 405 N -2.04 2.59 -0.16 -0.61 -1.09 -1.12 -5.10 121.20 113.67 3f6h s ILE 405 Ca 0.00 -0.85 -0.27 0.00 -2.23 0.00 0.00 60.65 57.30 3f6h s ILE 405 Cb 0.00 -2.02 -0.01 0.00 -1.58 0.00 0.00 42.46 38.84 3f6h s ILE 405 CO 0.00 0.55 0.89 -0.60 -1.23 0.00 0.00 174.94 174.56 3f6h s ARG 406 N 0.06 4.32 0.30 2.79 3.52 -1.26 -4.23 118.95 124.46 3f6h s ARG 406 Ca -0.08 1.14 -0.30 0.00 -0.13 0.00 0.00 55.73 56.37 3f6h s ARG 406 Cb -0.15 -3.57 -0.13 0.00 -1.56 0.00 0.00 34.95 29.54 3f6h s ARG 406 CO 0.05 -0.35 1.39 -2.30 -0.81 0.00 0.00 175.30 173.29 3f6h n PRO 407 N 5.27 2.22 -3.56 5.12 -0.02 -1.26 -4.82 135.00 137.95 3f6h n PRO 407 Ca 0.06 0.78 -0.15 0.00 -2.02 0.00 0.00 63.50 62.18 3f6h n PRO 407 Cb 0.48 -2.43 -0.05 0.00 -0.02 0.00 0.00 33.50 31.48 3f6h n PRO 407 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3f6h s HIS 408 N -0.53 -0.48 0.04 6.00 -3.43 -0.90 -1.90 115.29 114.09 3f6h s HIS 408 Ca 0.61 0.60 -0.04 0.00 -0.80 0.00 0.00 55.06 55.44 3f6h s HIS 408 Cb -0.58 0.37 -0.02 0.00 -1.43 0.00 0.00 32.58 30.92 3f6h s HIS 408 CO 0.55 -0.64 0.05 0.00 -2.00 0.00 0.00 174.74 172.70 3f6h s ALA 409 N -2.21 0.07 0.05 -1.38 0.00 -0.04 -1.58 121.76 116.66 3f6h s ALA 409 Ca -0.06 -0.66 0.07 0.00 0.00 0.00 0.00 51.96 51.30 3f6h s ALA 409 Cb -0.01 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 3f6h s ALA 409 CO 0.00 -0.29 -0.17 -0.65 0.00 0.00 0.00 175.76 174.66 3f6h s GLN 410 N -2.55 2.10 -0.01 0.00 -0.21 -0.83 -1.75 119.66 116.41 3f6h s GLN 410 Ca -0.06 -0.97 0.03 0.00 0.02 0.00 0.00 55.36 54.39 3f6h s GLN 410 Cb -0.02 -2.22 -0.01 0.00 1.00 0.00 0.00 33.01 31.77 3f6h s GLN 410 CO -0.05 0.54 -0.11 -1.50 -2.12 0.00 0.00 175.29 172.05 3f6h s ILE 411 N -0.96 0.91 -0.22 1.08 2.07 -0.08 -2.48 121.20 121.52 3f6h s ILE 411 Ca 0.15 -0.49 -0.01 0.00 -1.41 0.00 0.00 60.65 58.90 3f6h s ILE 411 Cb -0.11 -0.76 0.06 0.00 0.13 0.00 0.00 42.46 41.78 3f6h s ILE 411 CO 0.06 0.26 -0.01 -0.70 -1.91 0.00 0.00 174.94 172.65 3f6h s GLU 412 N -0.24 1.15 0.04 3.50 2.12 0.42 -1.00 118.70 124.69 3f6h s GLU 412 Ca 0.04 -0.76 0.08 0.00 0.36 0.00 0.00 54.97 54.69 3f6h s GLU 412 Cb -0.05 -2.36 -0.03 0.00 0.26 0.00 0.00 34.13 31.96 3f6h s GLU 412 CO -0.00 -0.64 -0.24 -0.48 -0.54 0.00 0.00 175.26 173.36 3f6h s LEU 413 N 1.60 2.16 -0.18 2.70 0.05 0.00 0.18 118.68 125.19 3f6h s LEU 413 Ca -0.03 -0.55 -0.10 0.00 0.05 0.00 0.00 54.13 53.51 3f6h s LEU 413 Cb -0.18 -1.15 -0.05 0.00 -2.05 0.00 0.00 46.19 42.76 3f6h s LEU 413 CO -0.08 0.22 0.14 -0.70 -0.55 0.00 0.00 176.35 175.38 3f6h s GLU 414 N -1.16 4.03 -0.25 1.48 2.12 0.12 -0.47 118.70 124.57 3f6h s GLU 414 Ca 0.10 -0.19 -0.07 0.00 0.36 0.00 0.00 54.97 55.17 3f6h s GLU 414 Cb -0.09 -3.37 0.12 0.00 0.26 0.00 0.00 34.13 31.04 3f6h s GLU 414 CO 0.02 0.40 0.52 -0.47 -0.54 0.00 0.00 175.26 175.18 3f6h s TYR 415 N 0.06 -1.07 -1.24 5.30 5.04 -0.37 -1.71 117.35 123.36 3f6h s TYR 415 Ca 0.10 1.78 -0.06 0.00 -2.44 0.00 0.00 57.07 56.45 3f6h s TYR 415 Cb -0.11 0.49 -0.01 0.00 0.35 0.00 0.00 41.96 42.67 3f6h s TYR 415 CO -0.00 -0.60 0.72 1.04 -1.34 0.00 0.00 175.55 175.36 3f6h n GLN 416 N 5.41 -3.46 0.00 4.97 6.02 -1.26 -2.46 117.38 126.60 3f6h n GLN 416 Ca -0.09 0.58 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 3f6h n GLN 416 Cb 0.49 -4.90 0.00 0.00 1.02 0.00 0.00 30.24 26.85 3f6h n GLN 416 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3f6h n GLY 417 N -1.61 2.49 3.87 1.08 0.00 -1.26 -4.97 105.19 104.79 3f6h n GLY 417 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 3f6h n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f6h s LYS 418 N 0.00 3.84 -0.13 1.61 1.02 -1.03 -5.09 119.74 119.96 3f6h s LYS 418 Ca 0.00 0.31 -0.01 0.00 0.02 0.00 0.00 55.97 56.29 3f6h s LYS 418 Cb 0.00 -2.73 -0.02 0.00 -0.52 0.00 0.00 37.83 34.56 3f6h s LYS 418 CO 0.00 0.37 -0.08 0.42 -0.92 0.00 0.00 175.35 175.13 3f6h s ILE 419 N -1.72 3.48 -0.11 2.17 1.01 -1.26 -1.23 121.20 123.55 3f6h s ILE 419 Ca 0.45 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.60 3f6h s ILE 419 Cb -0.12 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.85 3f6h s ILE 419 CO 0.21 0.52 -0.16 -1.00 0.00 0.00 0.00 174.94 174.51 3f6h s HIS 420 N 0.21 2.73 -0.06 3.97 3.76 0.38 -4.97 115.29 121.31 3f6h s HIS 420 Ca -0.05 -0.63 0.06 0.00 -0.15 0.00 0.00 55.06 54.28 3f6h s HIS 420 Cb -0.15 -1.77 -0.01 0.00 1.11 0.00 0.00 32.58 31.76 3f6h s HIS 420 CO 0.04 -0.18 -0.24 0.15 -0.85 0.00 0.00 174.74 173.66 3f6h s LYS 421 N 0.15 2.62 0.13 1.40 1.02 -1.26 -0.82 119.74 122.98 3f6h s LYS 421 Ca -0.08 -0.89 -0.08 0.00 0.02 0.00 0.00 55.97 54.94 3f6h s LYS 421 Cb -0.15 -2.20 -0.01 0.00 -0.52 0.00 0.00 37.83 34.95 3f6h s LYS 421 CO 0.05 0.37 0.22 -2.00 -0.92 0.00 0.00 175.35 173.07 3f6h s GLU 422 N -0.13 1.01 0.04 1.68 2.56 -0.17 -4.99 118.70 118.71 3f6h s GLU 422 Ca -0.04 -1.13 -0.00 0.00 0.00 0.00 0.00 54.97 53.79 3f6h s GLU 422 Cb -0.14 0.35 -0.03 0.00 2.00 0.00 0.00 34.13 36.30 3f6h s GLU 422 CO 0.04 -0.35 -0.03 -1.50 -0.56 0.00 0.00 175.26 172.86 3f6h s ILE 423 N -3.94 0.20 -0.19 -3.70 2.07 -1.26 -0.91 121.20 113.48 3f6h s ILE 423 Ca 0.14 -1.48 -0.31 0.00 -1.41 0.00 0.00 60.65 57.58 3f6h s ILE 423 Cb 0.04 -1.06 0.15 0.00 0.13 0.00 0.00 42.46 41.72 3f6h s ILE 423 CO -0.04 -0.81 1.14 -0.55 -1.91 0.00 0.00 174.94 172.77 3f6h s SER 424 N -2.38 -0.22 0.71 4.50 0.15 -0.72 -4.65 113.70 111.09 3f6h s SER 424 Ca -0.01 0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.80 3f6h s SER 424 Cb 0.01 0.20 0.13 0.00 -1.71 0.00 0.00 66.02 64.65 3f6h s SER 424 CO -0.06 -0.26 0.91 -0.62 1.20 0.00 0.00 173.24 174.41 3f6h n GLU 425 N 0.37 -0.04 -3.83 5.44 1.02 -1.26 -0.86 120.64 121.49 3f6h n GLU 425 Ca -0.05 -2.50 0.02 0.00 -0.02 0.00 0.00 57.16 54.62 3f6h n GLU 425 Cb 0.59 -0.60 0.01 0.00 -0.02 0.00 0.00 31.44 31.42 3f6h n GLU 425 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3f6h n GLY 426 N -2.02 0.26 0.12 0.62 0.00 -0.80 -4.28 105.19 99.09 3f6h n GLY 426 Ca 0.15 -1.03 -0.06 0.00 0.00 0.00 0.00 46.02 45.07 3f6h n GLY 426 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3f6h h ASP 427 N 1.84 0.16 -5.67 1.61 5.19 -1.88 -3.35 116.42 114.31 3f6h h ASP 427 Ca -0.20 -0.12 -0.30 0.00 -0.62 0.00 0.00 57.03 55.79 3f6h h ASP 427 Cb 1.09 -0.05 -0.14 0.00 0.18 0.00 0.00 39.33 40.41 3f6h h ASP 427 CO 0.29 0.91 -0.58 -0.83 -3.12 0.00 0.00 179.24 175.91 3f6h s GLY 428 N -4.52 1.66 0.10 2.75 0.00 -1.26 -4.80 107.32 101.25 3f6h s GLY 428 Ca -0.02 -1.79 -0.29 0.00 0.00 0.00 0.00 44.72 42.63 3f6h s GLY 428 CO 0.81 -1.41 1.64 -1.33 0.00 0.00 0.00 173.10 172.81 3f6h h GLY 429 N 2.49 -0.59 1.43 0.20 0.00 -1.90 0.24 103.07 104.94 3f6h h GLY 429 Ca -0.33 0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 3f6h h GLY 429 CO 0.48 -0.24 0.23 -1.82 0.00 0.00 0.00 176.54 175.19 3f6h h TYR 430 N -0.56 0.73 -0.45 5.60 3.20 -1.97 -1.05 116.97 122.47 3f6h h TYR 430 Ca -0.00 -0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.73 3f6h h TYR 430 Cb 0.52 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 3f6h h TYR 430 CO -0.18 0.55 -0.17 0.22 -1.64 0.00 0.00 178.16 176.94 3f6h h ASP 431 N 0.73 0.88 -0.30 -2.11 3.58 -1.90 -1.33 116.42 115.97 3f6h h ASP 431 Ca 0.18 -0.30 -0.08 0.00 0.42 0.00 0.00 57.03 57.25 3f6h h ASP 431 Cb 0.11 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 3f6h h ASP 431 CO -0.02 1.04 -0.08 0.00 -2.88 0.00 0.00 179.24 177.29 3f6h h ALA 432 N 1.03 1.09 -0.68 -0.78 0.00 -0.04 -2.14 119.26 117.74 3f6h h ALA 432 Ca 0.11 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3f6h h ALA 432 Cb 0.70 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3f6h h ALA 432 CO 0.05 0.57 0.17 0.35 0.00 0.00 0.00 179.25 180.39 3f6h h PHE 433 N 0.65 1.14 -0.14 0.00 3.57 -0.81 -2.23 116.94 119.12 3f6h h PHE 433 Ca 0.12 -0.13 -0.15 0.00 3.53 0.00 0.00 57.97 61.33 3f6h h PHE 433 Cb 0.53 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3f6h h PHE 433 CO 0.02 0.93 -0.56 0.52 -2.23 0.00 0.00 178.31 176.99 3f6h h MET 434 N 1.02 0.42 -0.45 1.11 2.86 -1.04 -0.15 114.93 118.69 3f6h h MET 434 Ca 0.21 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3f6h h MET 434 Cb 0.36 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 3f6h h MET 434 CO 0.00 0.87 0.21 -0.91 1.06 0.00 0.00 176.91 178.14 3f6h h ASN 435 N 0.32 0.59 -0.25 1.22 2.35 -1.27 0.13 115.58 118.67 3f6h h ASN 435 Ca 0.00 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.60 3f6h h ASN 435 Cb 1.08 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.29 3f6h h ASN 435 CO 0.10 0.56 0.08 0.00 -1.65 0.00 0.00 177.43 176.51 3f6h h ALA 436 N 1.06 0.32 -0.82 -0.83 0.00 -1.27 -2.69 119.26 115.03 3f6h h ALA 436 Ca 0.15 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3f6h h ALA 436 Cb 0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3f6h h ALA 436 CO -0.02 -0.04 0.54 1.25 0.00 0.00 0.00 179.25 180.98 3f6h h LEU 437 N 0.23 0.92 -1.18 0.00 5.85 -0.88 -2.70 115.31 117.55 3f6h h LEU 437 Ca 0.08 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3f6h h LEU 437 Cb 0.24 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 3f6h h LEU 437 CO -0.00 0.66 0.53 0.74 -0.34 0.00 0.00 178.44 180.03 3f6h h THR 438 N 1.09 1.21 -0.48 1.05 2.02 -0.58 0.12 112.91 117.34 3f6h h THR 438 Ca 0.31 -0.40 0.08 0.00 0.77 0.00 0.00 66.41 67.16 3f6h h THR 438 Cb -0.09 0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 66.28 3f6h h THR 438 CO -0.08 0.21 0.11 0.11 0.37 0.00 0.00 175.52 176.24 3f6h h LYS 439 N 1.10 0.25 -0.10 6.66 1.57 -1.14 0.19 116.57 125.11 3f6h h LYS 439 Ca 0.30 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 3f6h h LYS 439 Cb -0.11 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 3f6h h LYS 439 CO -0.06 0.17 -0.03 0.82 -0.57 0.00 0.00 179.45 179.77 3f6h h ILE 440 N 0.26 1.31 -0.94 1.86 2.04 -1.44 -2.90 117.51 117.70 3f6h h ILE 440 Ca 0.24 -1.01 0.21 0.00 1.00 0.00 0.00 64.86 65.30 3f6h h ILE 440 Cb 0.30 1.78 -0.11 0.00 -0.74 0.00 0.00 36.82 38.04 3f6h h ILE 440 CO -0.29 0.28 0.51 0.00 0.00 0.00 0.00 178.15 178.65 3f6h h THR 441 N -0.15 0.59 -0.22 -0.27 1.03 -0.16 -0.26 112.91 113.47 3f6h h THR 441 Ca 0.02 -0.20 -0.10 0.00 -0.01 0.00 0.00 66.41 66.12 3f6h h THR 441 Cb 0.46 -0.04 -0.00 0.00 -1.07 0.00 0.00 68.15 67.50 3f6h h THR 441 CO 0.01 0.11 -0.25 0.78 -0.01 0.00 0.00 175.52 176.16 3f6h h ASN 442 N 0.58 0.60 -0.67 0.00 2.35 -0.66 0.36 115.58 118.14 3f6h h ASN 442 Ca 0.57 -0.49 0.09 0.00 -0.55 0.00 0.00 56.30 55.92 3f6h h ASN 442 Cb 1.00 -0.17 -0.07 0.00 0.05 0.00 0.00 38.32 39.13 3f6h h ASN 442 CO -0.45 0.96 0.32 -0.09 -1.65 0.00 0.00 177.43 176.53 3f6h h ARG 443 N 0.24 0.54 -0.00 0.81 2.43 -0.94 -1.10 114.38 116.36 3f6h h ARG 443 Ca 0.03 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3f6h h ARG 443 Cb 0.81 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3f6h h ARG 443 CO 0.06 0.36 -0.01 1.28 -1.51 0.00 0.00 179.97 180.15 3f6h n LEU 444 N -4.89 0.03 -0.64 3.80 4.77 -0.26 -4.92 117.00 114.90 3f6h n LEU 444 Ca 0.10 0.34 -0.06 0.00 -0.03 0.00 0.00 56.01 56.35 3f6h n LEU 444 Cb 0.26 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 3f6h n LEU 444 CO 0.25 0.01 -0.07 0.61 -1.33 0.00 0.00 177.39 176.85 3f6h n GLY 445 N 1.36 0.40 3.66 -0.72 0.00 -0.42 -5.04 105.19 104.43 3f6h n GLY 445 Ca 0.12 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 3f6h n GLY 445 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3f6h s ILE 446 N -2.29 4.56 -0.21 -0.61 2.07 0.06 -5.02 121.20 119.76 3f6h s ILE 446 Ca 0.00 -0.13 -0.11 0.00 -1.41 0.00 0.00 60.65 59.00 3f6h s ILE 446 Cb 0.00 -2.99 -0.05 0.00 0.13 0.00 0.00 42.46 39.55 3f6h s ILE 446 CO 0.00 0.53 0.17 -0.94 -1.91 0.00 0.00 174.94 172.79 3f6h s SER 447 N -0.23 6.22 -0.03 4.50 1.04 -1.26 -4.24 113.70 119.70 3f6h s SER 447 Ca 0.07 0.24 -0.25 0.00 0.48 0.00 0.00 55.95 56.49 3f6h s SER 447 Cb -0.12 -2.11 -0.04 0.00 0.10 0.00 0.00 66.02 63.85 3f6h s SER 447 CO 0.02 0.13 0.76 -0.63 0.98 0.00 0.00 173.24 174.49 3f6h s ILE 448 N 0.61 4.95 0.85 -1.02 1.01 -1.26 -5.05 121.20 121.28 3f6h s ILE 448 Ca 0.09 1.57 -0.13 0.00 0.00 0.00 0.00 60.65 62.18 3f6h s ILE 448 Cb -0.12 -4.10 0.05 0.00 0.01 0.00 0.00 42.46 38.30 3f6h s ILE 448 CO 0.01 0.26 0.80 -2.65 0.00 0.00 0.00 174.94 173.37 3f6h n PRO 449 N 3.58 -0.01 -2.57 2.79 -0.02 -1.26 -4.97 135.00 132.53 3f6h n PRO 449 Ca -0.00 0.06 -0.39 0.00 -2.02 0.00 0.00 63.50 61.15 3f6h n PRO 449 Cb 0.51 -2.12 -0.05 0.00 -0.02 0.00 0.00 33.50 31.82 3f6h n PRO 449 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3f6h s LYS 450 N -3.73 4.55 -0.37 -0.52 -0.14 -0.80 -4.83 119.74 113.90 3f6h s LYS 450 Ca 0.66 1.62 -0.29 0.00 -1.36 0.00 0.00 55.97 56.60 3f6h s LYS 450 Cb -0.27 -3.00 0.01 0.00 -1.68 0.00 0.00 37.83 32.89 3f6h s LYS 450 CO 0.58 0.18 1.33 -1.17 -0.76 0.00 0.00 175.35 175.51 3f6h s LEU 451 N -1.77 3.73 -0.15 3.17 1.98 -1.26 -1.63 118.68 122.75 3f6h s LEU 451 Ca 0.48 0.97 0.02 0.00 -2.89 0.00 0.00 54.13 52.70 3f6h s LEU 451 Cb -0.27 -3.54 -0.23 0.00 0.66 0.00 0.00 46.19 42.81 3f6h s LEU 451 CO 0.34 -1.24 0.26 -0.38 -1.89 0.00 0.00 176.35 173.43 3f6h n ILE 452 N 6.63 1.64 -3.49 6.68 2.08 -0.42 -4.97 119.36 127.50 3f6h n ILE 452 Ca 0.15 -0.68 -0.13 0.00 0.56 0.00 0.00 62.75 62.64 3f6h n ILE 452 Cb 0.47 -1.40 -0.04 0.00 -0.75 0.00 0.00 39.64 37.93 3f6h n ILE 452 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3f6h s ASP 453 N -6.58 -0.52 -0.11 4.38 2.15 -1.13 -5.00 116.67 109.86 3f6h s ASP 453 Ca -0.21 0.12 -0.04 0.00 0.43 0.00 0.00 52.55 52.85 3f6h s ASP 453 Cb 0.07 0.55 0.06 0.00 -0.30 0.00 0.00 42.92 43.30 3f6h s ASP 453 CO 0.75 -0.84 0.21 -0.47 -0.17 0.00 0.00 175.17 174.65 3f6h s TYR 454 N -3.06 -0.31 -0.03 -5.34 5.04 -1.26 -1.48 117.35 110.91 3f6h s TYR 454 Ca -0.02 0.80 0.01 0.00 -2.44 0.00 0.00 57.07 55.42 3f6h s TYR 454 Cb -0.00 -0.14 0.02 0.00 0.35 0.00 0.00 41.96 42.18 3f6h s TYR 454 CO -0.07 -0.31 -0.03 -2.00 -1.34 0.00 0.00 175.55 171.80 3f6h s GLU 455 N 2.32 0.58 -0.18 4.97 2.12 -0.79 -5.04 118.70 122.68 3f6h s GLU 455 Ca 0.02 -0.07 0.01 0.00 0.36 0.00 0.00 54.97 55.29 3f6h s GLU 455 Cb -0.12 -0.63 0.03 0.00 0.26 0.00 0.00 34.13 33.67 3f6h s GLU 455 CO -0.07 -0.05 -0.18 0.08 -0.54 0.00 0.00 175.26 174.50 3f6h s VAL 456 N 0.71 1.96 0.20 3.70 1.01 -1.26 -1.15 120.40 125.57 3f6h s VAL 456 Ca -0.08 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 60.99 3f6h s VAL 456 Cb -0.12 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 3f6h s VAL 456 CO -0.00 0.45 -0.10 -0.13 0.00 0.00 0.00 175.10 175.31 3f6h s ARG 457 N 1.31 1.27 0.03 2.72 1.81 -0.08 -5.00 118.95 121.01 3f6h s ARG 457 Ca 0.03 -1.58 0.05 0.00 -1.72 0.00 0.00 55.73 52.51 3f6h s ARG 457 Cb -0.14 -0.89 -0.02 0.00 -0.45 0.00 0.00 34.95 33.45 3f6h s ARG 457 CO -0.12 0.09 -0.14 0.96 -0.68 0.00 0.00 175.30 175.42 3f6h s ILE 458 N -3.15 1.11 0.72 1.52 -4.36 -1.26 -0.83 121.20 114.95 3f6h s ILE 458 Ca 0.22 -0.91 -0.15 0.00 -0.26 0.00 0.00 60.65 59.56 3f6h s ILE 458 Cb 0.02 -0.99 0.04 0.00 1.25 0.00 0.00 42.46 42.77 3f6h s ILE 458 CO 0.06 0.07 1.19 -2.16 0.24 0.00 0.00 174.94 174.34 3f6h s PRO 459 N -0.96 2.21 0.27 0.37 0.04 -1.26 -4.94 135.00 130.74 3f6h s PRO 459 Ca 0.02 1.69 -0.28 0.00 0.04 0.00 0.00 61.00 62.47 3f6h s PRO 459 Cb -0.07 -1.85 -0.14 0.00 0.04 0.00 0.00 34.50 32.48 3f6h s PRO 459 CO 0.01 -1.77 1.01 -0.35 0.04 0.00 0.00 177.00 175.94 3f6h n PRO 460 N -2.72 1.29 -1.15 0.56 -0.04 -1.26 -3.18 135.00 128.50 3f6h n PRO 460 Ca 0.13 0.45 -0.05 0.00 -0.04 0.00 0.00 63.50 63.99 3f6h n PRO 460 Cb 0.51 -1.82 -0.02 0.00 -0.04 0.00 0.00 33.50 32.12 3f6h n PRO 460 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3f6h n GLY 461 N 1.34 0.78 3.74 0.55 0.00 -1.26 -4.98 105.19 105.36 3f6h n GLY 461 Ca 0.10 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 3f6h n GLY 461 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3f6h s GLY 462 N -2.68 2.48 0.00 -0.02 0.00 -1.19 -5.05 107.32 100.86 3f6h s GLY 462 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 44.72 45.86 3f6h s GLY 462 CO 0.00 2.08 0.00 0.28 0.00 0.00 0.00 173.10 175.46 3f6h n LYS 463 N 2.46 2.22 0.16 2.90 5.02 -1.26 -4.91 118.16 124.75 3f6h n LYS 463 Ca 0.06 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.43 3f6h n LYS 463 Cb 0.42 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.51 3f6h n LYS 463 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3f6h h THR 464 N 0.00 0.24 -0.27 -0.18 1.35 -2.03 -3.25 112.91 108.77 3f6h h THR 464 Ca 0.00 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 3f6h h THR 464 Cb 0.00 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 3f6h h THR 464 CO 0.00 0.14 0.00 -0.90 -0.25 0.00 0.00 175.52 174.51 3f6h n ASP 465 N -3.02 1.87 -4.68 5.36 5.75 -1.26 -4.98 116.55 115.59 3f6h n ASP 465 Ca 0.01 -1.85 -0.40 0.00 -0.01 0.00 0.00 54.79 52.54 3f6h n ASP 465 Cb 0.61 -0.18 0.02 0.00 -1.03 0.00 0.00 41.12 40.54 3f6h n ASP 465 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3f6h n ALA 466 N 0.48 1.04 -1.75 2.12 0.00 -1.23 -4.88 120.51 116.29 3f6h n ALA 466 Ca 0.15 0.22 -0.38 0.00 0.00 0.00 0.00 53.44 53.42 3f6h n ALA 466 Cb 0.33 -2.23 0.03 0.00 0.00 0.00 0.00 19.45 17.58 3f6h n ALA 466 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3f6h s LEU 467 N -1.75 3.87 -0.08 0.00 1.43 -1.26 -4.63 118.68 116.25 3f6h s LEU 467 Ca 0.64 2.62 0.05 0.00 -1.03 0.00 0.00 54.13 56.41 3f6h s LEU 467 Cb -0.50 -4.30 -0.00 0.00 0.03 0.00 0.00 46.19 41.42 3f6h s LEU 467 CO 0.56 -1.43 -0.24 -0.69 0.23 0.00 0.00 176.35 174.77 3f6h s VAL 468 N -1.39 2.04 -0.41 -1.59 1.01 -0.05 -4.36 120.40 115.65 3f6h s VAL 468 Ca 0.70 -1.03 -0.13 0.00 0.00 0.00 0.00 61.98 61.53 3f6h s VAL 468 Cb -0.37 -1.75 0.05 0.00 0.00 0.00 0.00 36.38 34.31 3f6h s VAL 468 CO 0.43 0.56 0.28 -1.61 0.00 0.00 0.00 175.10 174.76 3f6h s GLU 469 N 0.15 2.85 -0.23 2.72 2.02 -0.01 -1.66 118.70 124.54 3f6h s GLU 469 Ca -0.13 -1.20 -0.04 0.00 0.02 0.00 0.00 54.97 53.62 3f6h s GLU 469 Cb -0.16 -3.89 -0.01 0.00 0.10 0.00 0.00 34.13 30.17 3f6h s GLU 469 CO 0.07 -0.83 -0.02 0.95 0.02 0.00 0.00 175.26 175.45 3f6h s THR 470 N 1.58 3.53 -0.19 3.63 -4.23 -0.20 -0.90 115.64 118.85 3f6h s THR 470 Ca 0.03 -0.49 -0.07 0.00 -1.18 0.00 0.00 61.69 59.99 3f6h s THR 470 Cb -0.21 -2.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 3f6h s THR 470 CO 0.07 0.37 0.04 0.00 -0.54 0.00 0.00 174.62 174.56 3f6h s ARG 471 N 1.49 3.84 -0.15 3.99 1.70 -0.30 -0.77 118.95 128.75 3f6h s ARG 471 Ca 0.05 -0.41 -0.02 0.00 -0.47 0.00 0.00 55.73 54.88 3f6h s ARG 471 Cb -0.15 -3.17 -0.02 0.00 -0.57 0.00 0.00 34.95 31.04 3f6h s ARG 471 CO -0.02 0.17 -0.08 0.42 -1.08 0.00 0.00 175.30 174.72 3f6h s ILE 472 N 0.62 3.47 -0.18 4.99 1.01 0.13 -1.88 121.20 129.36 3f6h s ILE 472 Ca 0.02 -0.50 -0.09 0.00 0.00 0.00 0.00 60.65 60.08 3f6h s ILE 472 Cb -0.13 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.78 3f6h s ILE 472 CO 0.02 0.49 0.13 0.28 0.00 0.00 0.00 174.94 175.86 3f6h s THR 473 N 0.53 5.39 0.23 2.92 -1.32 -0.55 -0.49 115.64 122.34 3f6h s THR 473 Ca -0.05 0.18 0.10 0.00 -1.21 0.00 0.00 61.69 60.70 3f6h s THR 473 Cb -0.15 -3.43 -0.04 0.00 -1.51 0.00 0.00 72.50 67.37 3f6h s THR 473 CO 0.03 0.49 -0.10 0.26 -2.21 0.00 0.00 174.62 173.09 3f6h s TRP 474 N 0.01 2.56 0.36 9.09 0.52 0.25 -1.30 118.94 130.43 3f6h s TRP 474 Ca 0.09 -0.25 0.04 0.00 0.02 0.00 0.00 56.10 56.00 3f6h s TRP 474 Cb -0.11 -1.19 -0.05 0.00 -1.15 0.00 0.00 33.47 30.96 3f6h s TRP 474 CO -0.00 0.58 0.07 1.21 0.02 0.00 0.00 176.95 178.83 3f6h s ASN 475 N -3.21 2.67 0.00 2.95 2.47 -0.64 -1.26 114.94 117.93 3f6h s ASN 475 Ca 0.27 -1.47 0.00 0.00 0.42 0.00 0.00 52.86 52.09 3f6h s ASN 475 Cb -0.07 0.09 0.00 0.00 -1.45 0.00 0.00 41.25 39.81 3f6h s ASN 475 CO 0.16 -0.70 0.00 -0.67 -3.72 0.00 0.00 177.10 172.18 3f6h n ASP 483 N -0.89 0.00 -2.95 -4.21 2.03 -1.26 -1.91 116.55 107.35 3f6h n ASP 483 Ca -0.04 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.06 3f6h n ASP 483 Cb 0.66 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 41.07 3f6h n ASP 483 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 3f6h n GLN 484 N 0.00 -3.54 -3.49 -0.67 0.00 -1.26 -4.97 117.38 103.46 3f6h n GLN 484 Ca 0.00 0.71 -0.38 0.00 -0.00 0.00 0.00 57.00 57.34 3f6h n GLN 484 Cb 0.00 -5.45 -0.06 0.00 0.00 0.00 0.00 30.24 24.72 3f6h n GLN 484 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 3f6h s THR 485 N -2.97 5.16 0.12 1.69 2.01 -1.26 -4.97 115.64 115.41 3f6h s THR 485 Ca 0.24 0.76 -0.11 0.00 0.31 0.00 0.00 61.69 62.90 3f6h s THR 485 Cb -0.12 -3.70 0.01 0.00 0.01 0.00 0.00 72.50 68.70 3f6h s THR 485 CO 0.30 0.48 0.27 0.72 -0.69 0.00 0.00 174.62 175.70 3f6h s PHE 486 N -0.33 0.11 0.11 4.92 -0.12 -0.39 -5.00 117.98 117.28 3f6h s PHE 486 Ca 0.22 -0.50 0.10 0.00 -0.05 0.00 0.00 56.93 56.70 3f6h s PHE 486 Cb -0.15 0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.23 3f6h s PHE 486 CO 0.10 -0.63 -0.24 0.15 -0.05 0.00 0.00 175.22 174.54 3f6h s LYS 487 N -3.87 1.35 0.01 1.99 1.02 -1.26 0.86 119.74 119.83 3f6h s LYS 487 Ca 0.07 -1.24 0.04 0.00 0.02 0.00 0.00 55.97 54.87 3f6h s LYS 487 Cb 0.04 -1.71 -0.01 0.00 -0.52 0.00 0.00 37.83 35.62 3f6h s LYS 487 CO -0.09 0.41 -0.13 0.95 -0.92 0.00 0.00 175.35 175.57 3f6h s THR 488 N -1.05 1.04 0.04 2.17 -4.23 0.36 -4.99 115.64 108.99 3f6h s THR 488 Ca 0.11 -0.72 0.09 0.00 -1.18 0.00 0.00 61.69 59.98 3f6h s THR 488 Cb -0.10 -0.90 -0.03 0.00 1.34 0.00 0.00 72.50 72.81 3f6h s THR 488 CO 0.05 0.17 -0.25 -0.32 -0.54 0.00 0.00 174.62 173.73 3f6h s MET 489 N -0.63 1.70 -0.02 3.99 1.75 -1.26 0.17 119.30 125.00 3f6h s MET 489 Ca 0.04 -1.06 0.05 0.00 -1.25 0.00 0.00 55.69 53.47 3f6h s MET 489 Cb -0.06 -1.85 -0.01 0.00 2.84 0.00 0.00 34.83 35.75 3f6h s MET 489 CO 0.00 0.48 -0.18 0.20 -0.65 0.00 0.00 175.02 174.87 3f6h s GLY 490 N -1.19 0.92 -0.15 2.11 0.00 0.05 -4.44 107.32 104.62 3f6h s GLY 490 Ca 0.11 -0.78 0.02 0.00 0.00 0.00 0.00 44.72 44.07 3f6h s GLY 490 CO 0.02 -0.58 -0.19 0.14 0.00 0.00 0.00 173.10 172.48 3f6h s VAL 491 N -0.31 1.90 -0.15 1.40 1.01 -1.26 -1.04 120.40 121.95 3f6h s VAL 491 Ca 0.04 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 60.87 3f6h s VAL 491 Cb -0.08 -1.71 0.09 0.00 0.00 0.00 0.00 36.38 34.68 3f6h s VAL 491 CO 0.00 0.52 0.83 -2.28 0.00 0.00 0.00 175.10 174.17 3f6h s HIS 492 N 1.05 -0.57 0.53 5.22 5.04 -0.66 -4.91 115.29 120.99 3f6h s HIS 492 Ca -0.02 1.13 0.39 0.00 -1.54 0.00 0.00 55.06 55.02 3f6h s HIS 492 Cb -0.14 0.39 2.07 0.00 0.04 0.00 0.00 32.58 34.93 3f6h s HIS 492 CO -0.06 -0.44 2.26 -1.00 -2.34 0.00 0.00 174.74 173.16 3f6h h PRO 493 N 3.40 0.00 -5.05 2.88 0.13 -1.86 -0.10 132.00 131.39 3f6h h PRO 493 Ca -0.25 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.24 3f6h h PRO 493 Cb 1.15 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.09 3f6h h PRO 493 CO 0.27 0.01 -0.59 0.34 -0.23 0.00 0.00 178.00 177.81 3f6h s ASP 494 N -5.49 5.45 0.21 1.44 2.15 -1.26 -4.72 116.67 114.44 3f6h s ASP 494 Ca -0.04 -0.08 -0.04 0.00 0.43 0.00 0.00 52.55 52.82 3f6h s ASP 494 Cb 0.13 -1.97 0.19 0.00 -0.30 0.00 0.00 42.92 40.96 3f6h s ASP 494 CO 0.47 0.03 1.63 0.06 -0.17 0.00 0.00 175.17 177.19 3f6h h GLN 495 N 7.74 0.76 -0.04 4.34 3.07 -1.95 -1.91 115.11 127.12 3f6h h GLN 495 Ca -0.37 -0.31 -0.14 0.00 0.09 0.00 0.00 58.65 57.92 3f6h h GLN 495 Cb 1.18 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 28.69 3f6h h GLN 495 CO 0.61 0.92 -0.62 1.79 0.09 0.00 0.00 178.83 181.62 3f6h h THR 496 N 0.66 1.41 -0.30 1.86 1.35 -1.95 -2.94 112.91 113.00 3f6h h THR 496 Ca 0.09 -2.07 -0.12 0.00 -0.55 0.00 0.00 66.41 63.77 3f6h h THR 496 Cb 0.74 2.08 -0.01 0.00 -1.73 0.00 0.00 68.15 69.23 3f6h h THR 496 CO 0.06 0.60 -0.30 0.58 -0.25 0.00 0.00 175.52 176.21 3f6h h VAL 497 N 0.11 1.28 -0.02 6.82 2.07 -1.91 -2.82 116.25 121.78 3f6h h VAL 497 Ca -0.01 -1.41 -0.07 0.00 0.82 0.00 0.00 66.70 66.04 3f6h h VAL 497 Cb 1.13 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 3f6h h VAL 497 CO 0.09 0.45 -0.31 0.00 0.02 0.00 0.00 177.57 177.83 3f6h h ALA 498 N 1.13 1.46 -0.01 1.67 0.00 -1.20 -0.81 119.26 121.51 3f6h h ALA 498 Ca 0.07 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 3f6h h ALA 498 Cb 0.78 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3f6h h ALA 498 CO 0.06 0.40 -0.68 0.00 0.00 0.00 0.00 179.25 179.04 3f6h h ALA 499 N 1.67 0.86 -0.34 0.00 0.00 -1.39 -1.87 119.26 118.18 3f6h h ALA 499 Ca 0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 54.91 54.18 3f6h h ALA 499 Cb 0.56 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3f6h h ALA 499 CO 0.04 0.83 -0.25 0.28 0.00 0.00 0.00 179.25 180.15 3f6h h VAL 500 N 0.03 1.29 -0.62 0.00 2.07 -1.12 -1.03 116.25 116.87 3f6h h VAL 500 Ca -0.01 -1.41 0.02 0.00 0.82 0.00 0.00 66.70 66.13 3f6h h VAL 500 Cb 1.20 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 32.36 3f6h h VAL 500 CO 0.09 0.46 0.39 0.45 0.02 0.00 0.00 177.57 178.98 3f6h h HIS 501 N 0.56 0.73 -0.49 1.57 3.86 -1.10 0.12 115.15 120.41 3f6h h HIS 501 Ca 0.07 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.22 3f6h h HIS 501 Cb 0.82 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 29.03 3f6h h HIS 501 CO 0.06 0.43 -0.00 0.00 0.86 0.00 0.00 177.93 179.28 3f6h h ALA 502 N 1.26 1.09 -0.22 2.45 0.00 -1.25 -0.70 119.26 121.90 3f6h h ALA 502 Ca 0.25 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 3f6h h ALA 502 Cb -0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3f6h h ALA 502 CO -0.09 0.58 -0.56 1.15 0.00 0.00 0.00 179.25 180.33 3f6h h THR 503 N 0.75 1.31 -0.53 0.00 2.02 -0.76 -2.03 112.91 113.67 3f6h h THR 503 Ca 0.15 -1.79 -0.06 0.00 0.77 0.00 0.00 66.41 65.47 3f6h h THR 503 Cb 0.46 1.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 3f6h h THR 503 CO 0.02 0.57 0.09 -0.08 0.37 0.00 0.00 175.52 176.48 3f6h h GLU 504 N 0.51 0.88 -0.68 6.66 4.81 -0.46 -0.50 114.58 125.80 3f6h h GLU 504 Ca 0.01 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 58.98 3f6h h GLU 504 Cb 1.13 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 3f6h h GLU 504 CO 0.11 0.86 0.33 0.87 -0.73 0.00 0.00 179.01 180.45 3f6h h LYS 505 N 0.76 0.98 -0.28 1.92 1.57 -1.11 -1.61 116.57 118.80 3f6h h LYS 505 Ca 0.16 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3f6h h LYS 505 Cb 0.41 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3f6h h LYS 505 CO 0.01 0.77 0.18 1.98 -0.57 0.00 0.00 179.45 181.83 3f6h h MET 506 N 0.94 0.36 -0.63 3.15 4.05 -1.11 -0.98 114.93 120.72 3f6h h MET 506 Ca 0.23 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.66 3f6h h MET 506 Cb 0.12 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 30.80 3f6h h MET 506 CO -0.03 0.24 0.38 -0.07 0.23 0.00 0.00 176.91 177.66 3f6h h LEU 507 N 0.37 0.62 -0.94 3.39 3.38 -0.83 0.27 115.31 121.57 3f6h h LEU 507 Ca 0.10 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 3f6h h LEU 507 Cb -0.04 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3f6h h LEU 507 CO -0.02 0.43 -0.29 0.78 0.09 0.00 0.00 178.44 179.43 3f6h h ASN 508 N 0.75 0.44 -0.05 -0.43 2.35 -1.14 -1.00 115.58 116.50 3f6h h ASN 508 Ca 0.25 -0.15 -0.22 0.00 -0.55 0.00 0.00 56.30 55.63 3f6h h ASN 508 Cb 0.03 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 38.29 3f6h h ASN 508 CO -0.11 0.71 -0.78 1.56 -1.65 0.00 0.00 177.43 177.17 3f6h h GLN 509 N 0.38 0.70 -0.03 0.81 4.20 -0.59 -2.36 115.11 118.22 3f6h h GLN 509 Ca 0.05 -0.58 -0.11 0.00 0.06 0.00 0.00 58.65 58.07 3f6h h GLN 509 Cb 0.70 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 3f6h h GLN 509 CO 0.05 1.19 -0.50 0.82 -0.67 0.00 0.00 178.83 179.72 3f6h h ILE 510 N 0.48 1.36 -0.00 2.54 1.08 -0.33 -2.60 117.51 120.04 3f6h h ILE 510 Ca -0.05 -1.74 0.00 0.00 -0.39 0.00 0.00 64.86 62.68 3f6h h ILE 510 Cb 1.39 1.90 0.00 0.00 -3.07 0.00 0.00 36.82 37.05 3f6h h ILE 510 CO 0.15 0.50 -0.34 0.18 -0.69 0.00 0.00 178.15 177.95 3f6h n LEU 511 N -3.94 0.36 -3.35 1.44 4.77 -0.39 -4.30 117.00 111.59 3f6h n LEU 511 Ca -0.02 0.14 -0.26 0.00 -0.03 0.00 0.00 56.01 55.85 3f6h n LEU 511 Cb 0.53 -0.32 -0.08 0.00 -2.33 0.00 0.00 43.42 41.22 3f6h n LEU 511 CO 0.41 0.09 -0.20 0.00 -1.33 0.00 0.00 177.39 176.36 3f6h n GLN 512 N -1.48 1.05 0.17 3.23 6.02 -0.89 -4.99 117.38 120.50 3f6h n GLN 512 Ca 0.06 -3.61 0.13 0.00 -0.01 0.00 0.00 57.00 53.57 3f6h n GLN 512 Cb 0.34 -1.62 0.69 0.00 1.02 0.00 0.00 30.24 30.66 3f6h n GLN 512 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 3f6h h PRO 513 N 4.54 0.00 -0.30 -1.09 0.11 -1.69 -0.88 132.00 132.68 3f6h h PRO 513 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3f6h h PRO 513 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3f6h h PRO 513 CO 0.54 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.66 3f6h n TRP 514 N -4.37 0.00 -0.62 0.65 4.27 -1.26 -5.05 117.44 111.06 3f6h n TRP 514 Ca 0.02 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.63 3f6h n TRP 514 Cb 0.28 -0.03 0.00 0.00 -1.36 0.00 0.00 31.31 30.20 3f6h n TRP 514 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44