#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f6g n VAL 391 N 0.00 0.61 -4.35 -0.18 0.31 -1.26 -4.87 118.33 108.59 3f6g n VAL 391 Ca 0.00 -0.65 -0.28 0.00 -0.01 0.00 0.00 64.34 63.40 3f6g n VAL 391 Cb 0.00 -0.21 -0.17 0.00 -0.91 0.00 0.00 33.84 32.55 3f6g n VAL 391 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3f6g s LEU 392 N -4.96 1.62 -0.03 7.52 0.20 -1.26 -4.29 118.68 117.48 3f6g s LEU 392 Ca -0.09 -0.39 0.04 0.00 0.69 0.00 0.00 54.13 54.38 3f6g s LEU 392 Cb 0.11 -1.02 -0.01 0.00 -0.43 0.00 0.00 46.19 44.84 3f6g s LEU 392 CO 0.87 -0.01 -0.15 -0.89 -0.29 0.00 0.00 176.35 175.88 3f6g s THR 393 N 1.09 1.25 -0.70 3.68 2.01 -0.75 -4.85 115.64 117.37 3f6g s THR 393 Ca -0.05 -0.65 -0.19 0.00 0.31 0.00 0.00 61.69 61.11 3f6g s THR 393 Cb -0.14 -1.07 0.12 0.00 0.01 0.00 0.00 72.50 71.42 3f6g s THR 393 CO -0.03 0.36 0.85 -0.63 -0.69 0.00 0.00 174.62 174.49 3f6g s ILE 394 N -0.12 4.80 0.19 1.82 1.01 -1.26 -0.25 121.20 127.39 3f6g s ILE 394 Ca 0.01 -1.17 -0.11 0.00 0.00 0.00 0.00 60.65 59.37 3f6g s ILE 394 Cb -0.09 -4.59 0.11 0.00 0.01 0.00 0.00 42.46 37.91 3f6g s ILE 394 CO 0.01 -1.26 1.80 0.11 0.00 0.00 0.00 174.94 175.59 3f6g h LYS 395 N 9.02 0.57 -2.87 2.79 1.79 -0.78 -3.46 116.57 123.63 3f6g h LYS 395 Ca -0.15 -0.03 0.09 0.00 -2.18 0.00 0.00 60.65 58.37 3f6g h LYS 395 Cb 1.06 -0.13 -0.06 0.00 -1.58 0.00 0.00 32.23 31.53 3f6g h LYS 395 CO 1.08 0.38 0.28 -1.54 -1.08 0.00 0.00 179.45 178.57 3f6g s SER 396 N -5.55 -0.26 -0.16 0.86 1.04 -0.96 -5.01 113.70 103.67 3f6g s SER 396 Ca -0.13 -0.54 -0.30 0.00 0.48 0.00 0.00 55.95 55.46 3f6g s SER 396 Cb 0.15 0.68 0.12 0.00 0.10 0.00 0.00 66.02 67.06 3f6g s SER 396 CO 0.75 -1.24 0.94 0.00 0.98 0.00 0.00 173.24 174.67 3f6g s ASN 398 N -0.93 2.15 -0.06 0.00 0.02 -0.72 -4.93 114.94 110.46 3f6g s ASN 398 Ca -0.03 -0.34 0.06 0.00 -1.02 0.00 0.00 52.86 51.53 3f6g s ASN 398 Cb -0.01 -0.91 -0.01 0.00 0.02 0.00 0.00 41.25 40.34 3f6g s ASN 398 CO 0.02 -0.05 -0.25 -0.63 0.02 0.00 0.00 177.10 176.22 3f6g s ILE 399 N 1.28 2.03 -0.06 0.60 1.01 -1.26 -0.47 121.20 124.33 3f6g s ILE 399 Ca -0.02 -1.05 0.04 0.00 0.00 0.00 0.00 60.65 59.62 3f6g s ILE 399 Cb -0.14 -1.72 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 3f6g s ILE 399 CO -0.04 0.56 -0.18 -2.28 0.00 0.00 0.00 174.94 173.00 3f6g s HIS 400 N -0.09 2.62 0.23 3.97 2.46 0.17 -5.02 115.29 119.64 3f6g s HIS 400 Ca -0.06 -0.38 -0.21 0.00 0.47 0.00 0.00 55.06 54.88 3f6g s HIS 400 Cb -0.14 -1.64 0.07 0.00 -0.13 0.00 0.00 32.58 30.74 3f6g s HIS 400 CO 0.04 0.01 0.98 -1.54 -2.47 0.00 0.00 174.74 171.77 3f6g s SER 401 N -0.43 0.01 0.00 9.88 1.04 -1.26 -2.28 113.70 120.66 3f6g s SER 401 Ca 0.05 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.69 3f6g s SER 401 Cb -0.12 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.58 3f6g s SER 401 CO 0.02 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.69 3f6g n GLY 402 N -0.66 0.98 3.65 7.32 0.00 -1.26 -4.92 105.19 110.29 3f6g n GLY 402 Ca -0.04 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.33 4.62 0.00 -0.61 1.01 -1.26 -2.68 121.20 120.95 3f6g s ILE 403 Ca 0.00 1.90 0.00 0.00 0.00 0.00 0.00 60.65 62.55 3f6g s ILE 403 Cb 0.00 -4.34 0.00 0.00 0.01 0.00 0.00 42.46 38.13 3f6g s ILE 403 CO 0.00 -0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.26 3f6g n GLY 404 N 3.55 0.82 3.12 6.18 0.00 -1.26 -5.07 105.19 112.53 3f6g n GLY 404 Ca 0.12 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 1.26 -0.38 -0.61 -1.09 -1.09 -5.10 121.20 112.19 3f6g s ILE 405 Ca 0.00 -0.65 -0.23 0.00 -2.23 0.00 0.00 60.65 57.54 3f6g s ILE 405 Cb 0.00 -1.07 0.01 0.00 -1.58 0.00 0.00 42.46 39.82 3f6g s ILE 405 CO 0.00 0.36 0.77 -0.60 -1.23 0.00 0.00 174.94 174.24 3f6g s ARG 406 N -0.12 3.69 0.33 2.79 3.00 -1.26 -4.51 118.95 122.87 3f6g s ARG 406 Ca 0.01 0.22 -0.28 0.00 -1.00 0.00 0.00 55.73 54.67 3f6g s ARG 406 Cb -0.09 -3.83 -0.12 0.00 0.00 0.00 0.00 34.95 30.91 3f6g s ARG 406 CO 0.01 -0.88 1.31 -2.30 0.00 0.00 0.00 175.30 173.44 3f6g n PRO 407 N 6.42 2.14 -3.77 5.12 -0.02 -1.26 -4.88 135.00 138.75 3f6g n PRO 407 Ca 0.02 0.75 -0.10 0.00 -2.02 0.00 0.00 63.50 62.16 3f6g n PRO 407 Cb 0.48 -2.35 -0.05 0.00 -0.02 0.00 0.00 33.50 31.57 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 -0.95 -0.01 -0.09 6.00 -3.43 -0.96 -1.74 115.29 114.10 3f6g s HIS 408 Ca 0.57 -0.34 -0.19 0.00 -0.80 0.00 0.00 55.06 54.30 3f6g s HIS 408 Cb -0.57 0.26 0.04 0.00 -1.43 0.00 0.00 32.58 30.88 3f6g s HIS 408 CO 0.61 -0.83 0.46 0.00 -2.00 0.00 0.00 174.74 172.98 3f6g s ALA 409 N -3.88 -1.17 0.16 -1.38 0.00 -0.54 0.46 121.76 115.41 3f6g s ALA 409 Ca 0.10 0.99 0.07 0.00 0.00 0.00 0.00 51.96 53.12 3f6g s ALA 409 Cb 0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 3f6g s ALA 409 CO -0.04 -0.27 -0.02 -0.65 0.00 0.00 0.00 175.76 174.78 3f6g s GLN 410 N -0.61 2.34 -0.02 0.00 -0.21 0.38 -2.03 119.66 119.52 3f6g s GLN 410 Ca -0.07 -1.10 -0.06 0.00 0.02 0.00 0.00 55.36 54.15 3f6g s GLN 410 Cb -0.03 -2.34 0.01 0.00 1.00 0.00 0.00 33.01 31.64 3f6g s GLN 410 CO 0.04 0.46 0.13 0.42 -2.12 0.00 0.00 175.29 174.23 3f6g s ILE 411 N -1.64 0.05 -0.20 1.08 1.01 0.12 -1.76 121.20 119.86 3f6g s ILE 411 Ca 0.26 -0.44 -0.05 0.00 0.00 0.00 0.00 60.65 60.43 3f6g s ILE 411 Cb -0.10 -0.34 0.07 0.00 0.01 0.00 0.00 42.46 42.10 3f6g s ILE 411 CO 0.18 -0.24 0.10 -0.70 0.00 0.00 0.00 174.94 174.27 3f6g s GLU 412 N -0.83 0.11 0.05 2.79 2.12 -0.24 -1.42 118.70 121.27 3f6g s GLU 412 Ca -0.09 -0.20 0.08 0.00 0.36 0.00 0.00 54.97 55.12 3f6g s GLU 412 Cb -0.05 -1.68 -0.03 0.00 0.26 0.00 0.00 34.13 32.63 3f6g s GLU 412 CO 0.01 -0.75 -0.22 -0.48 -0.54 0.00 0.00 175.26 173.28 3f6g s LEU 413 N 2.12 2.18 -0.11 2.70 0.05 -0.46 -0.01 118.68 125.15 3f6g s LEU 413 Ca 0.04 -0.55 -0.01 0.00 0.05 0.00 0.00 54.13 53.65 3f6g s LEU 413 Cb -0.16 -1.04 -0.03 0.00 -2.05 0.00 0.00 46.19 42.91 3f6g s LEU 413 CO -0.16 0.17 -0.05 -0.70 -0.55 0.00 0.00 176.35 175.07 3f6g s GLU 414 N -1.26 3.19 -0.23 1.48 2.12 0.65 -0.57 118.70 124.08 3f6g s GLU 414 Ca 0.08 -0.52 -0.09 0.00 0.36 0.00 0.00 54.97 54.80 3f6g s GLU 414 Cb -0.09 -2.75 0.09 0.00 0.26 0.00 0.00 34.13 31.64 3f6g s GLU 414 CO 0.02 0.48 0.50 -0.47 -0.54 0.00 0.00 175.26 175.25 3f6g s TYR 415 N -0.29 -0.92 -1.23 5.30 5.04 -0.04 -1.81 117.35 123.39 3f6g s TYR 415 Ca 0.05 1.75 -0.14 0.00 -2.44 0.00 0.00 57.07 56.28 3f6g s TYR 415 Cb -0.13 0.46 -0.00 0.00 0.35 0.00 0.00 41.96 42.64 3f6g s TYR 415 CO 0.02 -0.51 0.67 1.04 -1.34 0.00 0.00 175.55 175.44 3f6g n GLN 416 N 5.07 -2.06 -1.23 4.97 6.02 -1.26 -1.69 117.38 127.19 3f6g n GLN 416 Ca -0.13 0.44 -0.08 0.00 -0.01 0.00 0.00 57.00 57.22 3f6g n GLN 416 Cb 0.51 -4.27 -0.03 0.00 1.02 0.00 0.00 30.24 27.48 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 -1.78 0.82 3.27 1.08 0.00 -1.26 -4.97 105.19 102.35 3f6g n GLY 417 Ca -0.17 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 3f6g n GLY 417 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3f6g s LYS 418 N -2.54 1.81 -0.13 1.61 2.20 -0.68 -5.13 119.74 116.88 3f6g s LYS 418 Ca 0.00 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 54.75 3f6g s LYS 418 Cb 0.00 -1.79 -0.01 0.00 -1.51 0.00 0.00 37.83 34.52 3f6g s LYS 418 CO 0.00 0.49 -0.14 0.96 -0.36 0.00 0.00 175.35 176.30 3f6g s ILE 419 N -0.59 2.97 -0.14 5.43 -4.36 -1.26 -0.86 121.20 122.39 3f6g s ILE 419 Ca 0.09 -0.69 0.01 0.00 -0.26 0.00 0.00 60.65 59.80 3f6g s ILE 419 Cb -0.09 -2.24 -0.01 0.00 1.25 0.00 0.00 42.46 41.37 3f6g s ILE 419 CO -0.00 0.53 -0.16 -1.00 0.24 0.00 0.00 174.94 174.55 3f6g s HIS 420 N 0.35 2.76 -0.12 1.37 3.76 0.26 -4.97 115.29 118.71 3f6g s HIS 420 Ca -0.12 -0.91 0.02 0.00 -0.15 0.00 0.00 55.06 53.91 3f6g s HIS 420 Cb -0.16 -1.85 -0.01 0.00 1.11 0.00 0.00 32.58 31.67 3f6g s HIS 420 CO 0.06 -0.38 -0.19 0.15 -0.85 0.00 0.00 174.74 173.53 3f6g s LYS 421 N 0.61 3.20 0.06 1.40 1.02 -1.26 -1.36 119.74 123.41 3f6g s LYS 421 Ca -0.09 -0.79 -0.11 0.00 0.02 0.00 0.00 55.97 55.00 3f6g s LYS 421 Cb -0.16 -2.46 0.01 0.00 -0.52 0.00 0.00 37.83 34.70 3f6g s LYS 421 CO 0.03 0.18 0.24 -2.00 -0.92 0.00 0.00 175.35 172.88 3f6g s GLU 422 N 0.39 0.81 0.08 1.68 2.56 -0.51 -4.99 118.70 118.71 3f6g s GLU 422 Ca -0.14 -0.72 0.01 0.00 0.00 0.00 0.00 54.97 54.12 3f6g s GLU 422 Cb -0.17 0.34 -0.04 0.00 2.00 0.00 0.00 34.13 36.26 3f6g s GLU 422 CO 0.07 -0.26 -0.06 -1.50 -0.56 0.00 0.00 175.26 172.95 3f6g s ILE 423 N -3.10 0.58 -0.13 -3.70 2.07 -1.26 -0.70 121.20 114.96 3f6g s ILE 423 Ca -0.01 -1.71 -0.31 0.00 -1.41 0.00 0.00 60.65 57.20 3f6g s ILE 423 Cb 0.01 -1.40 0.13 0.00 0.13 0.00 0.00 42.46 41.33 3f6g s ILE 423 CO -0.07 -0.78 1.07 -0.55 -1.91 0.00 0.00 174.94 172.70 3f6g s SER 424 N -2.68 -0.26 0.47 4.50 0.15 -0.86 -4.75 113.70 110.28 3f6g s SER 424 Ca 0.06 0.10 0.06 0.00 0.70 0.00 0.00 55.95 56.87 3f6g s SER 424 Cb 0.02 0.25 0.02 0.00 -1.71 0.00 0.00 66.02 64.60 3f6g s SER 424 CO -0.04 -0.37 0.65 -1.61 1.20 0.00 0.00 173.24 173.07 3f6g s GLU 425 N -2.20 2.69 0.30 5.44 2.02 -1.26 -1.46 118.70 124.23 3f6g s GLU 425 Ca 0.05 -1.11 -0.18 0.00 0.02 0.00 0.00 54.97 53.75 3f6g s GLU 425 Cb -0.01 -2.66 0.07 0.00 0.10 0.00 0.00 34.13 31.63 3f6g s GLU 425 CO -0.05 -0.46 0.91 0.20 0.02 0.00 0.00 175.26 175.88 3f6g s GLY 426 N -4.40 0.29 0.00 -1.39 0.00 -0.71 -4.47 107.32 96.64 3f6g s GLY 426 Ca 0.56 -0.61 0.27 0.00 0.00 0.00 0.00 44.72 44.94 3f6g s GLY 426 CO 0.35 1.00 1.70 1.22 0.00 0.00 0.00 173.10 177.38 3f6g n ASP 427 N -1.41 0.27 -3.78 1.64 8.00 -1.26 -4.08 116.55 115.93 3f6g n ASP 427 Ca -0.06 0.05 -0.09 0.00 0.71 0.00 0.00 54.79 55.39 3f6g n ASP 427 Cb 0.60 -0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 41.53 3f6g n ASP 427 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3f6g s GLY 428 N -2.93 -0.01 0.12 0.44 0.00 -1.26 -4.86 107.32 98.82 3f6g s GLY 428 Ca 0.15 -0.32 -0.25 0.00 0.00 0.00 0.00 44.72 44.30 3f6g s GLY 428 CO 0.59 -0.31 1.65 -1.33 0.00 0.00 0.00 173.10 173.70 3f6g h GLY 429 N 2.21 -0.31 1.14 0.20 0.00 -1.90 0.20 103.07 104.61 3f6g h GLY 429 Ca -0.28 0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 3f6g h GLY 429 CO 0.37 -0.19 0.30 -1.82 0.00 0.00 0.00 176.54 175.19 3f6g h TYR 430 N -0.35 1.11 -0.57 5.60 3.20 -1.95 0.79 116.97 124.81 3f6g h TYR 430 Ca 0.06 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 3f6g h TYR 430 Cb 0.42 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 3f6g h TYR 430 CO -0.26 0.84 0.30 0.22 -1.64 0.00 0.00 178.16 177.63 3f6g h ASP 431 N 1.07 0.72 -0.81 -2.11 3.58 -1.84 0.18 116.42 117.21 3f6g h ASP 431 Ca 0.25 -0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.57 3f6g h ASP 431 Cb 0.20 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.03 3f6g h ASP 431 CO -0.02 0.62 0.40 0.00 -2.88 0.00 0.00 179.24 177.36 3f6g h ALA 432 N 1.13 1.04 -0.78 -0.78 0.00 0.07 -0.19 119.26 119.75 3f6g h ALA 432 Ca 0.20 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3f6g h ALA 432 Cb 0.07 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3f6g h ALA 432 CO -0.03 0.59 0.30 0.35 0.00 0.00 0.00 179.25 180.47 3f6g h PHE 433 N 1.14 1.20 -0.18 0.00 3.57 0.06 -1.75 116.94 120.98 3f6g h PHE 433 Ca 0.28 -0.09 -0.14 0.00 3.53 0.00 0.00 57.97 61.55 3f6g h PHE 433 Cb 0.10 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 3f6g h PHE 433 CO 0.01 0.91 -0.47 0.52 -2.23 0.00 0.00 178.31 177.05 3f6g h MET 434 N 1.14 0.47 -0.46 1.11 2.86 -0.12 -0.92 114.93 119.01 3f6g h MET 434 Ca 0.26 -0.26 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 3f6g h MET 434 Cb 0.23 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 3f6g h MET 434 CO -0.02 0.84 -0.03 -0.91 1.06 0.00 0.00 176.91 177.85 3f6g h ASN 435 N 0.38 0.75 -0.06 1.22 2.35 -0.71 -0.24 115.58 119.26 3f6g h ASN 435 Ca 0.02 -0.19 -0.22 0.00 -0.55 0.00 0.00 56.30 55.36 3f6g h ASN 435 Cb 0.96 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 39.14 3f6g h ASN 435 CO 0.08 0.84 -0.79 0.00 -1.65 0.00 0.00 177.43 175.91 3f6g h ALA 436 N 1.24 0.35 -0.70 -0.83 0.00 -1.14 -3.16 119.26 115.02 3f6g h ALA 436 Ca 0.14 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3f6g h ALA 436 Cb 0.48 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3f6g h ALA 436 CO 0.02 0.70 0.42 1.25 0.00 0.00 0.00 179.25 181.65 3f6g h LEU 437 N 0.49 0.84 -1.35 0.00 5.85 -0.90 -2.87 115.31 117.36 3f6g h LEU 437 Ca -0.05 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.62 3f6g h LEU 437 Cb 1.41 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 3f6g h LEU 437 CO 0.16 0.65 0.45 0.74 -0.34 0.00 0.00 178.44 180.10 3f6g h THR 438 N 0.96 1.15 -0.22 1.05 2.02 -1.03 -0.52 112.91 116.31 3f6g h THR 438 Ca 0.25 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 3f6g h THR 438 Cb -0.03 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.55 3f6g h THR 438 CO -0.05 0.16 -0.08 0.11 0.37 0.00 0.00 175.52 176.04 3f6g h LYS 439 N 0.89 0.35 0.09 6.66 1.57 -1.48 -0.92 116.57 123.73 3f6g h LYS 439 Ca 0.25 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3f6g h LYS 439 Cb -0.06 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.20 3f6g h LYS 439 CO -0.06 0.44 -0.04 0.82 -0.57 0.00 0.00 179.45 180.04 3f6g h ILE 440 N 0.34 1.11 -0.71 1.86 2.04 -1.14 -3.07 117.51 117.93 3f6g h ILE 440 Ca 0.07 -1.36 0.03 0.00 1.00 0.00 0.00 64.86 64.59 3f6g h ILE 440 Cb 0.35 1.90 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 3f6g h ILE 440 CO 0.02 0.30 0.47 0.71 0.00 0.00 0.00 178.15 179.65 3f6g h THR 441 N -0.82 1.12 -0.32 -0.27 1.35 -1.08 -1.11 112.91 111.78 3f6g h THR 441 Ca -0.01 -0.30 0.03 0.00 -0.55 0.00 0.00 66.41 65.57 3f6g h THR 441 Cb 0.59 0.16 -0.03 0.00 -1.73 0.00 0.00 68.15 67.14 3f6g h THR 441 CO 0.02 0.16 0.15 0.78 -0.25 0.00 0.00 175.52 176.38 3f6g h ASN 442 N 0.88 0.20 -0.84 5.36 2.35 -1.25 0.30 115.58 122.59 3f6g h ASN 442 Ca 0.28 0.02 0.05 0.00 -0.55 0.00 0.00 56.30 56.10 3f6g h ASN 442 Cb 0.03 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.33 3f6g h ASN 442 CO -0.08 0.16 0.53 -0.09 -1.65 0.00 0.00 177.43 176.30 3f6g h ARG 443 N 0.31 0.97 0.00 0.81 2.43 -1.15 -1.02 114.38 116.73 3f6g h ARG 443 Ca 0.14 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3f6g h ARG 443 Cb 0.07 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 3f6g h ARG 443 CO -0.11 0.64 0.00 1.28 -1.51 0.00 0.00 179.97 180.27 3f6g n LEU 444 N -4.60 0.21 0.00 3.80 4.77 -0.56 -4.89 117.00 115.73 3f6g n LEU 444 Ca 0.11 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 3f6g n LEU 444 Cb 0.13 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 3f6g n LEU 444 CO 0.32 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 3f6g n GLY 445 N 1.04 0.42 3.75 -0.72 0.00 0.45 -5.03 105.19 105.09 3f6g n GLY 445 Ca 0.06 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 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 5.28 -0.19 -0.61 1.01 0.76 -4.99 121.20 120.45 3f6g s ILE 446 Ca 0.00 0.59 -0.14 0.00 0.00 0.00 0.00 60.65 61.11 3f6g s ILE 446 Cb 0.00 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 3f6g s ILE 446 CO 0.00 0.42 0.29 -0.55 0.00 0.00 0.00 174.94 175.10 3f6g s SER 447 N 0.23 6.36 -0.02 3.58 0.15 -1.26 -4.09 113.70 118.65 3f6g s SER 447 Ca 0.18 0.41 -0.22 0.00 0.70 0.00 0.00 55.95 57.02 3f6g s SER 447 Cb -0.13 -2.18 -0.05 0.00 -1.71 0.00 0.00 66.02 61.95 3f6g s SER 447 CO 0.05 0.04 0.66 -0.63 1.20 0.00 0.00 173.24 174.56 3f6g s ILE 448 N 0.87 4.92 0.94 6.45 1.01 -1.26 -5.05 121.20 129.08 3f6g s ILE 448 Ca 0.15 1.38 -0.11 0.00 0.00 0.00 0.00 60.65 62.07 3f6g s ILE 448 Cb -0.14 -4.00 0.16 0.00 0.01 0.00 0.00 42.46 38.49 3f6g s ILE 448 CO 0.05 0.35 1.10 -2.84 0.00 0.00 0.00 174.94 173.61 3f6g s PRO 449 N 0.17 0.88 0.20 2.79 0.02 -1.26 -4.98 135.00 132.82 3f6g s PRO 449 Ca 0.34 1.22 -0.22 0.00 0.02 0.00 0.00 61.00 62.36 3f6g s PRO 449 Cb -0.18 -1.73 -0.08 0.00 0.02 0.00 0.00 34.50 32.52 3f6g s PRO 449 CO 0.18 -2.62 0.75 0.21 -0.33 0.00 0.00 177.00 175.20 3f6g s LYS 450 N -4.70 4.39 -0.24 5.54 2.20 -0.57 -4.83 119.74 121.53 3f6g s LYS 450 Ca 0.66 1.01 -0.29 0.00 -0.36 0.00 0.00 55.97 56.98 3f6g s LYS 450 Cb -0.21 -3.03 -0.00 0.00 -1.51 0.00 0.00 37.83 33.08 3f6g s LYS 450 CO 0.59 0.46 1.21 -1.17 -0.36 0.00 0.00 175.35 176.08 3f6g s LEU 451 N -1.64 4.04 -0.23 5.43 1.98 -1.26 -1.85 118.68 125.15 3f6g s LEU 451 Ca 0.40 1.39 0.09 0.00 -2.89 0.00 0.00 54.13 53.12 3f6g s LEU 451 Cb -0.19 -3.54 -0.21 0.00 0.66 0.00 0.00 46.19 42.91 3f6g s LEU 451 CO 0.23 -0.86 -0.09 -0.38 -1.89 0.00 0.00 176.35 173.35 3f6g n ILE 452 N 5.70 1.44 -3.78 6.68 2.08 0.11 -4.99 119.36 126.61 3f6g n ILE 452 Ca 0.14 -0.70 -0.13 0.00 0.56 0.00 0.00 62.75 62.62 3f6g n ILE 452 Cb 0.46 -0.98 -0.10 0.00 -0.75 0.00 0.00 39.64 38.26 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 -6.05 -0.25 -0.14 4.38 2.15 -1.08 -4.96 116.67 110.72 3f6g s ASP 453 Ca -0.24 0.39 -0.01 0.00 0.43 0.00 0.00 52.55 53.13 3f6g s ASP 453 Cb 0.08 0.50 0.03 0.00 -0.30 0.00 0.00 42.92 43.23 3f6g s ASP 453 CO 0.70 -0.22 -0.06 -0.47 -0.17 0.00 0.00 175.17 174.96 3f6g s TYR 454 N -0.39 1.51 -0.04 -5.34 5.04 -1.26 -0.19 117.35 116.68 3f6g s TYR 454 Ca -0.05 -0.85 0.05 0.00 -2.44 0.00 0.00 57.07 53.77 3f6g s TYR 454 Cb -0.03 -1.23 -0.00 0.00 0.35 0.00 0.00 41.96 41.04 3f6g s TYR 454 CO 0.02 -0.55 -0.18 -2.00 -1.34 0.00 0.00 175.55 171.49 3f6g s GLU 455 N 1.70 1.87 -0.05 4.97 2.12 0.59 -4.99 118.70 124.91 3f6g s GLU 455 Ca 0.03 -0.65 0.02 0.00 0.36 0.00 0.00 54.97 54.73 3f6g s GLU 455 Cb -0.14 -1.63 0.01 0.00 0.26 0.00 0.00 34.13 32.64 3f6g s GLU 455 CO -0.08 0.27 -0.10 0.08 -0.54 0.00 0.00 175.26 174.89 3f6g s VAL 456 N -0.02 0.96 0.07 3.70 1.01 -1.26 -0.18 120.40 124.68 3f6g s VAL 456 Ca -0.03 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 3f6g s VAL 456 Cb -0.11 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 3f6g s VAL 456 CO 0.02 0.31 0.15 0.00 0.00 0.00 0.00 175.10 175.58 3f6g s ARG 457 N 0.54 0.77 0.08 2.72 1.70 -0.43 -4.99 118.95 119.33 3f6g s ARG 457 Ca -0.10 -0.93 0.02 0.00 -0.47 0.00 0.00 55.73 54.25 3f6g s ARG 457 Cb -0.13 0.31 -0.04 0.00 -0.57 0.00 0.00 34.95 34.52 3f6g s ARG 457 CO 0.02 -0.22 -0.08 0.96 -1.08 0.00 0.00 175.30 174.90 3f6g s ILE 458 N -3.57 0.71 0.61 4.99 -4.36 -1.26 -1.07 121.20 117.26 3f6g s ILE 458 Ca 0.03 -1.62 -0.17 0.00 -0.26 0.00 0.00 60.65 58.63 3f6g s ILE 458 Cb 0.04 -1.29 -0.02 0.00 1.25 0.00 0.00 42.46 42.43 3f6g s ILE 458 CO -0.09 -0.65 1.15 -2.16 0.24 0.00 0.00 174.94 173.42 3f6g s PRO 459 N -2.92 2.97 0.24 0.37 0.04 -1.26 -4.91 135.00 129.52 3f6g s PRO 459 Ca 0.04 1.60 -0.31 0.00 0.04 0.00 0.00 61.00 62.37 3f6g s PRO 459 Cb -0.01 -1.95 -0.13 0.00 0.04 0.00 0.00 34.50 32.45 3f6g s PRO 459 CO -0.02 -1.16 1.50 -0.35 0.04 0.00 0.00 177.00 177.01 3f6g n PRO 460 N -1.87 2.28 -1.47 0.56 -0.04 -1.26 -1.30 135.00 131.90 3f6g n PRO 460 Ca 0.12 0.81 -0.13 0.00 -0.04 0.00 0.00 63.50 64.26 3f6g n PRO 460 Cb 0.51 -2.53 -0.05 0.00 -0.04 0.00 0.00 33.50 31.39 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 2.44 1.18 0.30 0.55 0.00 -1.26 -4.90 105.19 103.49 3f6g n GLY 461 Ca 0.12 -0.42 0.03 0.00 0.00 0.00 0.00 46.02 45.74 3f6g n GLY 461 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3f6g h GLY 462 N 0.00 0.56 -0.20 -0.02 0.00 -1.55 -3.49 103.07 98.36 3f6g h GLY 462 Ca -0.27 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 46.85 3f6g h GLY 462 CO 0.38 0.23 -0.03 0.28 0.00 0.00 0.00 176.54 177.39 3f6g n LYS 463 N -4.43 -0.18 -0.27 4.80 5.02 -1.26 -3.75 118.16 118.10 3f6g n LYS 463 Ca 0.03 0.12 0.11 0.00 -2.02 0.00 0.00 58.31 56.54 3f6g n LYS 463 Cb 0.11 -0.22 0.36 0.00 -0.02 0.00 0.00 35.03 35.25 3f6g n LYS 463 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3f6g h THR 464 N -0.08 0.87 -0.49 -0.18 2.02 -2.03 -1.45 112.91 111.57 3f6g h THR 464 Ca 0.00 -0.25 -0.05 0.00 0.77 0.00 0.00 66.41 66.88 3f6g h THR 464 Cb 0.08 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.54 3f6g h THR 464 CO 0.00 0.13 0.06 -0.90 0.37 0.00 0.00 175.52 175.18 3f6g n ASP 465 N -4.55 4.59 -4.73 4.18 5.75 -1.26 -5.00 116.55 115.53 3f6g n ASP 465 Ca 0.17 -2.79 -0.38 0.00 -0.01 0.00 0.00 54.79 51.77 3f6g n ASP 465 Cb 0.42 -0.66 0.05 0.00 -1.03 0.00 0.00 41.12 39.90 3f6g n ASP 465 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3f6g n ALA 466 N 0.35 1.40 -1.81 2.12 0.00 -0.55 -4.91 120.51 117.10 3f6g n ALA 466 Ca 0.25 0.09 -0.41 0.00 0.00 0.00 0.00 53.44 53.37 3f6g n ALA 466 Cb 1.04 -2.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.13 3f6g n ALA 466 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3f6g s LEU 467 N -3.52 4.50 -0.15 0.00 1.43 -1.26 -4.60 118.68 115.08 3f6g s LEU 467 Ca 0.74 2.39 -0.02 0.00 -1.03 0.00 0.00 54.13 56.21 3f6g s LEU 467 Cb -0.41 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.16 3f6g s LEU 467 CO 0.47 -0.30 -0.08 -0.69 0.23 0.00 0.00 176.35 175.99 3f6g s VAL 468 N -0.96 3.52 -0.32 -1.59 1.01 -0.00 -4.44 120.40 117.62 3f6g s VAL 468 Ca 0.47 -0.49 -0.11 0.00 0.00 0.00 0.00 61.98 61.85 3f6g s VAL 468 Cb -0.34 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 3f6g s VAL 468 CO 0.44 0.50 0.20 -1.61 0.00 0.00 0.00 175.10 174.63 3f6g s GLU 469 N 0.40 3.50 -0.19 2.72 2.02 -0.23 -1.96 118.70 124.96 3f6g s GLU 469 Ca -0.07 -0.63 -0.02 0.00 0.02 0.00 0.00 54.97 54.28 3f6g s GLU 469 Cb -0.15 -3.69 -0.00 0.00 0.10 0.00 0.00 34.13 30.39 3f6g s GLU 469 CO 0.04 -0.39 -0.10 0.99 0.02 0.00 0.00 175.26 175.82 3f6g s THR 470 N 1.69 2.99 -0.20 3.63 2.01 0.09 -1.32 115.64 124.53 3f6g s THR 470 Ca 0.06 -0.63 -0.02 0.00 0.31 0.00 0.00 61.69 61.40 3f6g s THR 470 Cb -0.17 -2.32 -0.00 0.00 0.01 0.00 0.00 72.50 70.02 3f6g s THR 470 CO 0.09 0.47 -0.08 -0.13 -0.69 0.00 0.00 174.62 174.28 3f6g s ARG 471 N 1.20 3.30 -0.16 4.92 0.52 0.74 -1.41 118.95 128.06 3f6g s ARG 471 Ca 0.02 -0.67 -0.01 0.00 -0.52 0.00 0.00 55.73 54.55 3f6g s ARG 471 Cb -0.14 -2.88 -0.01 0.00 0.52 0.00 0.00 34.95 32.43 3f6g s ARG 471 CO -0.04 -0.16 -0.11 0.42 0.02 0.00 0.00 175.30 175.44 3f6g s ILE 472 N 1.32 3.11 -0.18 1.52 1.01 -0.74 -0.30 121.20 126.95 3f6g s ILE 472 Ca 0.04 -0.62 -0.09 0.00 0.00 0.00 0.00 60.65 59.98 3f6g s ILE 472 Cb -0.14 -2.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 3f6g s ILE 472 CO -0.04 0.50 0.12 -0.89 0.00 0.00 0.00 174.94 174.62 3f6g s THR 473 N 0.69 5.29 0.31 2.92 2.01 0.73 -1.87 115.64 125.72 3f6g s THR 473 Ca -0.05 0.14 0.10 0.00 0.31 0.00 0.00 61.69 62.19 3f6g s THR 473 Cb -0.15 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 3f6g s THR 473 CO 0.02 0.48 -0.04 0.26 -0.69 0.00 0.00 174.62 174.64 3f6g s TRP 474 N 0.12 2.52 -0.17 4.92 0.52 0.30 0.04 118.94 127.20 3f6g s TRP 474 Ca 0.08 -0.37 -0.05 0.00 0.02 0.00 0.00 56.10 55.78 3f6g s TRP 474 Cb -0.11 -1.32 0.08 0.00 -1.15 0.00 0.00 33.47 30.97 3f6g s TRP 474 CO -0.01 0.56 0.32 1.21 0.02 0.00 0.00 176.95 179.06 3f6g s ASN 475 N -3.66 0.21 0.43 2.95 2.47 -0.77 -1.15 114.94 115.42 3f6g s ASN 475 Ca 0.33 0.63 0.21 0.00 0.42 0.00 0.00 52.86 54.45 3f6g s ASN 475 Cb -0.02 0.94 0.98 0.00 -1.45 0.00 0.00 41.25 41.70 3f6g s ASN 475 CO 0.18 -0.25 1.89 0.11 -3.72 0.00 0.00 177.10 175.31 3f6g h LYS 476 N 8.24 0.00 0.00 0.43 1.57 -1.85 -1.51 116.57 123.45 3f6g h LYS 476 Ca -0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3f6g h LYS 476 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3f6g h LYS 476 CO 0.15 0.27 0.00 0.43 -0.57 0.00 0.00 179.45 179.73 3f6g n SER 477 N -3.71 0.00 0.00 0.86 7.64 -1.26 -4.84 113.62 112.31 3f6g n SER 477 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 3f6g n SER 477 Cb 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 3f6g n SER 477 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3f6g n LEU 480 N 0.00 0.00 0.00 -3.43 -0.00 -1.26 -4.84 117.00 107.47 3f6g n LEU 480 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 3f6g n LEU 480 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3f6g n LEU 480 CO 0.00 0.00 0.02 -1.84 -0.00 0.00 0.00 177.39 175.57 3f6g n GLU 481 N 0.29 1.20 0.23 1.96 -0.00 -1.26 -5.03 120.64 118.03 3f6g n GLU 481 Ca 0.00 -1.37 -0.16 0.00 -0.00 0.00 0.00 57.16 55.62 3f6g n GLU 481 Cb 0.00 0.17 -0.08 0.00 -0.00 0.00 0.00 31.44 31.53 3f6g n GLU 481 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 3f6g h GLU 482 N 0.00 -0.80 -0.08 3.44 -0.00 -2.00 -3.35 114.58 111.79 3f6g h GLU 482 Ca -0.14 0.05 0.02 0.00 -0.00 0.00 0.00 59.36 59.30 3f6g h GLU 482 Cb 0.51 0.18 -0.00 0.00 -0.00 0.00 0.00 28.75 29.43 3f6g h GLU 482 CO 0.22 -0.53 0.79 -0.40 -0.00 0.00 0.00 179.01 179.09 3f6g n ASP 483 N -5.51 0.00 -1.46 3.06 5.68 -1.26 -0.95 116.55 116.11 3f6g n ASP 483 Ca -0.10 0.41 -0.09 0.00 -0.50 0.00 0.00 54.79 54.50 3f6g n ASP 483 Cb 0.41 -0.02 0.10 0.00 -1.14 0.00 0.00 41.12 40.47 3f6g n ASP 483 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3f6g n GLN 484 N -2.12 2.54 -3.62 0.11 6.02 -1.26 -5.02 117.38 114.03 3f6g n GLN 484 Ca 0.02 -3.69 -0.37 0.00 -0.01 0.00 0.00 57.00 52.94 3f6g n GLN 484 Cb 0.82 -1.88 -0.06 0.00 1.02 0.00 0.00 30.24 30.13 3f6g n GLN 484 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3f6g s THR 485 N -3.81 5.28 0.14 5.09 2.01 -0.13 -2.92 115.64 121.30 3f6g s THR 485 Ca 0.44 0.54 -0.15 0.00 0.31 0.00 0.00 61.69 62.83 3f6g s THR 485 Cb 0.39 -3.59 0.03 0.00 0.01 0.00 0.00 72.50 69.34 3f6g s THR 485 CO -0.02 0.51 0.39 0.72 -0.69 0.00 0.00 174.62 175.54 3f6g s PHE 486 N -0.44 -0.11 0.13 4.92 -0.12 -0.30 -4.98 117.98 117.08 3f6g s PHE 486 Ca 0.18 -0.22 0.10 0.00 -0.05 0.00 0.00 56.93 56.94 3f6g s PHE 486 Cb -0.14 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.44 3f6g s PHE 486 CO 0.07 -0.72 -0.24 0.15 -0.05 0.00 0.00 175.22 174.43 3f6g s LYS 487 N -3.83 1.31 0.12 1.99 1.02 -1.26 0.11 119.74 119.20 3f6g s LYS 487 Ca 0.05 -1.32 0.05 0.00 0.02 0.00 0.00 55.97 54.77 3f6g s LYS 487 Cb 0.02 -1.67 -0.04 0.00 -0.52 0.00 0.00 37.83 35.62 3f6g s LYS 487 CO -0.10 0.38 -0.12 0.95 -0.92 0.00 0.00 175.35 175.55 3f6g s THR 488 N -1.26 1.15 0.08 2.17 -4.23 -0.78 -5.00 115.64 107.77 3f6g s THR 488 Ca 0.13 -1.73 0.03 0.00 -1.18 0.00 0.00 61.69 58.94 3f6g s THR 488 Cb -0.09 -1.50 -0.03 0.00 1.34 0.00 0.00 72.50 72.21 3f6g s THR 488 CO 0.06 -0.52 -0.10 -0.32 -0.54 0.00 0.00 174.62 173.21 3f6g s MET 489 N -2.86 0.77 0.01 3.99 1.75 -1.26 -1.78 119.30 119.92 3f6g s MET 489 Ca 0.09 -1.07 -0.00 0.00 -1.25 0.00 0.00 55.69 53.46 3f6g s MET 489 Cb -0.03 -0.48 -0.01 0.00 2.84 0.00 0.00 34.83 37.15 3f6g s MET 489 CO 0.02 0.08 -0.01 0.20 -0.65 0.00 0.00 175.02 174.66 3f6g s GLY 490 N -2.24 0.09 -0.07 2.11 0.00 -0.50 -4.18 107.32 102.53 3f6g s GLY 490 Ca 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.51 3f6g s GLY 490 CO -0.00 -0.26 -0.05 0.14 0.00 0.00 0.00 173.10 172.93 3f6g s VAL 491 N -0.60 0.71 -0.04 1.40 1.01 -1.26 -0.73 120.40 120.90 3f6g s VAL 491 Ca -0.07 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 3f6g s VAL 491 Cb -0.04 -0.75 0.10 0.00 0.00 0.00 0.00 36.38 35.69 3f6g s VAL 491 CO -0.00 0.29 0.86 -2.28 0.00 0.00 0.00 175.10 173.96 3f6g s HIS 492 N 1.39 -0.42 0.42 5.22 5.04 -0.83 -4.88 115.29 121.23 3f6g s HIS 492 Ca -0.03 0.48 0.36 0.00 -1.54 0.00 0.00 55.06 54.33 3f6g s HIS 492 Cb -0.13 0.50 1.82 0.00 0.04 0.00 0.00 32.58 34.80 3f6g s HIS 492 CO -0.03 -0.53 2.17 -1.35 -2.34 0.00 0.00 174.74 172.66 3f6g h PRO 493 N 2.31 0.00 -5.19 2.88 0.11 -1.88 0.03 132.00 130.26 3f6g h PRO 493 Ca -0.23 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.25 3f6g h PRO 493 Cb 1.21 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.12 3f6g h PRO 493 CO 0.33 0.03 -0.63 0.34 -0.21 0.00 0.00 178.00 177.87 3f6g s ASP 494 N -5.63 5.12 0.45 -2.05 2.15 -1.26 -4.74 116.67 110.72 3f6g s ASP 494 Ca -0.02 -0.10 0.19 0.00 0.43 0.00 0.00 52.55 53.05 3f6g s ASP 494 Cb 0.12 -1.87 1.09 0.00 -0.30 0.00 0.00 42.92 41.96 3f6g s ASP 494 CO 0.50 0.11 1.97 0.06 -0.17 0.00 0.00 175.17 177.64 3f6g h GLN 495 N 7.16 0.00 0.04 4.34 3.07 -1.93 -2.00 115.11 125.78 3f6g h GLN 495 Ca -0.35 0.00 -0.28 0.00 0.09 0.00 0.00 58.65 58.11 3f6g h GLN 495 Cb 1.18 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.76 3f6g h GLN 495 CO 0.64 0.22 -1.11 1.15 0.09 0.00 0.00 178.83 179.81 3f6g h THR 496 N 0.00 1.29 -0.56 1.86 2.02 -1.94 -2.93 112.91 112.65 3f6g h THR 496 Ca -0.00 -2.34 -0.06 0.00 0.77 0.00 0.00 66.41 64.78 3f6g h THR 496 Cb 0.45 2.50 -0.03 0.00 -1.74 0.00 0.00 68.15 69.33 3f6g h THR 496 CO 0.03 0.72 0.12 0.58 0.37 0.00 0.00 175.52 177.34 3f6g h VAL 497 N 0.34 1.23 -0.83 3.16 2.07 -1.91 -1.19 116.25 119.14 3f6g h VAL 497 Ca -0.15 -0.86 0.05 0.00 0.82 0.00 0.00 66.70 66.56 3f6g h VAL 497 Cb 1.77 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 32.16 3f6g h VAL 497 CO 0.21 0.32 0.52 0.00 0.02 0.00 0.00 177.57 178.64 3f6g h ALA 498 N 1.30 1.11 -0.22 1.67 0.00 -1.33 0.57 119.26 122.36 3f6g h ALA 498 Ca 0.18 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 3f6g h ALA 498 Cb 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3f6g h ALA 498 CO 0.00 0.30 -0.37 0.00 0.00 0.00 0.00 179.25 179.18 3f6g h ALA 499 N 1.37 0.96 -0.33 0.00 0.00 -1.19 -2.02 119.26 118.05 3f6g h ALA 499 Ca 0.35 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 3f6g h ALA 499 Cb 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3f6g h ALA 499 CO -0.15 0.62 -0.29 0.28 0.00 0.00 0.00 179.25 179.71 3f6g h VAL 500 N 0.41 1.28 -0.37 0.00 2.07 -0.22 -1.67 116.25 117.74 3f6g h VAL 500 Ca 0.04 -1.41 -0.07 0.00 0.82 0.00 0.00 66.70 66.08 3f6g h VAL 500 Cb 0.83 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 3f6g h VAL 500 CO 0.07 0.46 -0.04 0.45 0.02 0.00 0.00 177.57 178.53 3f6g h HIS 501 N 0.59 0.75 -0.23 1.57 3.86 -0.75 0.34 115.15 121.27 3f6g h HIS 501 Ca 0.07 -0.14 -0.06 0.00 -1.16 0.00 0.00 60.37 59.08 3f6g h HIS 501 Cb 0.80 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 3f6g h HIS 501 CO 0.04 0.80 -0.10 0.00 0.86 0.00 0.00 177.93 179.52 3f6g h ALA 502 N 0.85 1.40 -0.16 2.45 0.00 -1.24 -0.89 119.26 121.67 3f6g h ALA 502 Ca 0.10 -0.22 -0.21 0.00 0.00 0.00 0.00 54.91 54.58 3f6g h ALA 502 Cb 0.53 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.21 3f6g h ALA 502 CO 0.03 0.41 -0.73 1.15 0.00 0.00 0.00 179.25 180.11 3f6g h THR 503 N 0.35 1.30 -0.66 0.00 2.02 -1.01 -2.17 112.91 112.74 3f6g h THR 503 Ca 0.07 -1.97 -0.08 0.00 0.77 0.00 0.00 66.41 65.20 3f6g h THR 503 Cb 0.40 1.95 -0.03 0.00 -1.74 0.00 0.00 68.15 68.74 3f6g h THR 503 CO 0.02 0.62 0.09 -0.08 0.37 0.00 0.00 175.52 176.55 3f6g h GLU 504 N 0.50 1.09 -0.27 6.66 4.81 -0.51 -0.80 114.58 126.06 3f6g h GLU 504 Ca -0.04 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 58.89 3f6g h GLU 504 Cb 1.35 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 3f6g h GLU 504 CO 0.15 1.00 0.13 0.87 -0.73 0.00 0.00 179.01 180.43 3f6g h LYS 505 N 1.02 0.39 -0.63 1.92 1.57 -1.13 -2.35 116.57 117.35 3f6g h LYS 505 Ca 0.20 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 59.00 3f6g h LYS 505 Cb 0.45 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.63 3f6g h LYS 505 CO 0.01 0.37 0.30 1.98 -0.57 0.00 0.00 179.45 181.54 3f6g h MET 506 N 0.31 0.52 -0.57 3.15 4.05 -0.94 -1.23 114.93 120.22 3f6g h MET 506 Ca 0.09 -0.03 0.06 0.00 -0.28 0.00 0.00 59.70 59.54 3f6g h MET 506 Cb 0.11 -0.12 -0.05 0.00 -0.80 0.00 0.00 31.60 30.74 3f6g h MET 506 CO -0.01 0.34 0.28 -0.07 0.23 0.00 0.00 176.91 177.68 3f6g h LEU 507 N 0.53 0.38 -0.61 3.39 3.38 -0.76 -1.64 115.31 119.98 3f6g h LEU 507 Ca 0.30 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.17 3f6g h LEU 507 Cb 0.29 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3f6g h LEU 507 CO -0.24 0.25 -0.46 0.78 0.09 0.00 0.00 178.44 178.86 3f6g h ASN 508 N 0.52 0.61 -0.34 -0.43 2.35 -0.93 -1.36 115.58 115.99 3f6g h ASN 508 Ca 0.26 -0.29 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 3f6g h ASN 508 Cb 0.21 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 3f6g h ASN 508 CO -0.20 0.98 0.03 1.56 -1.65 0.00 0.00 177.43 178.15 3f6g h GLN 509 N 0.45 0.68 -0.00 0.81 4.20 -0.82 1.16 115.11 121.59 3f6g h GLN 509 Ca 0.03 -0.15 -0.18 0.00 0.06 0.00 0.00 58.65 58.41 3f6g h GLN 509 Cb 0.98 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 3f6g h GLN 509 CO 0.09 0.67 -0.81 0.82 -0.67 0.00 0.00 178.83 178.93 3f6g h ILE 510 N 0.65 1.53 0.04 2.54 2.04 -1.15 -3.27 117.51 119.89 3f6g h ILE 510 Ca 0.14 -2.64 -0.28 0.00 1.00 0.00 0.00 64.86 63.07 3f6g h ILE 510 Cb 0.36 2.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.85 3f6g h ILE 510 CO 0.01 0.76 -1.52 -0.07 0.00 0.00 0.00 178.15 177.33 3f6g h LEU 511 N 0.05 0.14 -1.34 1.44 3.38 -0.70 -3.52 115.31 114.76 3f6g h LEU 511 Ca -0.02 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3f6g h LEU 511 Cb 1.42 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.13 3f6g h LEU 511 CO 0.11 1.19 0.00 0.00 0.09 0.00 0.00 178.44 179.83