#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfz n MET 401 N 0.00 0.00 -0.14 1.61 2.81 -1.26 -4.95 117.12 115.20 1jfz n MET 401 Ca 0.00 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 55.92 1jfz n MET 401 Cb 0.00 0.00 0.10 0.00 -0.71 0.00 0.00 33.22 32.61 1jfz n MET 401 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1jfz n LYS 402 N 0.00 1.61 0.05 0.03 5.02 -1.26 -3.47 118.16 120.14 1jfz n LYS 402 Ca 0.00 -0.83 -0.22 0.00 -2.02 0.00 0.00 58.31 55.24 1jfz n LYS 402 Cb 0.00 -1.25 -0.14 0.00 -0.02 0.00 0.00 35.03 33.62 1jfz n LYS 402 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1jfz h MET 403 N 1.31 0.33 0.18 1.97 2.86 -2.01 -3.31 114.93 116.25 1jfz h MET 403 Ca 0.00 -0.56 0.01 0.00 -2.06 0.00 0.00 59.70 57.09 1jfz h MET 403 Cb 0.39 0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.21 1jfz h MET 403 CO 0.02 1.27 -0.50 -0.07 1.06 0.00 0.00 176.91 178.69 1jfz h LEU 404 N -0.12 -1.48 -1.32 1.22 3.38 -1.93 -2.00 115.31 113.06 1jfz h LEU 404 Ca -0.30 0.15 0.38 0.00 0.09 0.00 0.00 57.88 58.19 1jfz h LEU 404 Cb 1.91 0.54 -0.13 0.00 0.09 0.00 0.00 40.66 43.07 1jfz h LEU 404 CO 0.13 -0.56 0.75 -0.33 0.09 0.00 0.00 178.44 178.52 1jfz h GLU 405 N -0.77 0.19 -0.31 1.13 4.39 -1.73 1.16 114.58 118.63 1jfz h GLU 405 Ca -0.01 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 1jfz h GLU 405 Cb 0.76 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 1jfz h GLU 405 CO -0.25 0.12 0.01 0.37 -1.16 0.00 0.00 179.01 178.11 1jfz h GLN 406 N 0.19 0.54 -0.30 2.33 4.15 -1.46 -1.90 115.11 118.66 1jfz h GLN 406 Ca 0.75 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 60.01 1jfz h GLN 406 Cb 2.16 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 29.79 1jfz h GLN 406 CO -0.43 0.67 0.19 1.25 -1.93 0.00 0.00 178.83 178.58 1jfz h LEU 407 N 0.35 0.35 -0.59 -2.39 5.85 0.16 -1.69 115.31 117.33 1jfz h LEU 407 Ca 0.09 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.85 1jfz h LEU 407 Cb 0.42 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 1jfz h LEU 407 CO 0.01 0.28 0.28 -0.33 -0.34 0.00 0.00 178.44 178.34 1jfz h GLU 408 N 0.39 0.51 -0.65 1.25 5.08 -0.40 0.13 114.58 120.88 1jfz h GLU 408 Ca 0.11 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1jfz h GLU 408 Cb -0.02 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1jfz h GLU 408 CO -0.02 0.34 0.17 -0.22 -1.00 0.00 0.00 179.01 178.28 1jfz h LYS 409 N 0.52 1.02 0.00 2.33 3.64 -1.03 -0.35 116.57 122.70 1jfz h LYS 409 Ca 0.28 -0.22 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1jfz h LYS 409 Cb 0.24 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1jfz h LYS 409 CO -0.22 0.89 -0.20 0.87 -2.27 0.00 0.00 179.45 178.52 1jfz h LYS 410 N 0.98 0.00 0.00 1.90 1.57 -0.26 -2.99 116.57 117.77 1jfz h LYS 410 Ca 0.21 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.90 1jfz h LYS 410 Cb 0.32 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1jfz h LYS 410 CO -0.00 0.20 -1.16 1.25 -0.57 0.00 0.00 179.45 179.16 1jfz h LEU 411 N 0.00 0.00 0.37 2.94 5.85 -0.11 -3.47 115.31 120.89 1jfz h LEU 411 Ca -0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1jfz h LEU 411 Cb 0.59 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1jfz h LEU 411 CO 0.03 0.33 -0.07 0.61 -0.34 0.00 0.00 178.44 178.99 1jfz n GLY 412 N 1.29 0.28 3.59 3.75 0.00 -0.21 -4.99 105.19 108.90 1jfz n GLY 412 Ca -0.05 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 1jfz n GLY 412 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jfz s TYR 413 N -2.13 -0.93 -0.23 1.61 5.04 -0.79 -5.06 117.35 114.87 1jfz s TYR 413 Ca 0.00 1.96 -0.04 0.00 -2.44 0.00 0.00 57.07 56.55 1jfz s TYR 413 Cb 0.00 0.49 -0.01 0.00 0.35 0.00 0.00 41.96 42.79 1jfz s TYR 413 CO 0.00 -0.46 -0.03 0.99 -1.34 0.00 0.00 175.55 174.71 1jfz s THR 414 N 1.24 3.47 0.18 4.34 2.01 -1.26 -4.27 115.64 121.34 1jfz s THR 414 Ca -0.07 -0.50 -0.30 0.00 0.31 0.00 0.00 61.69 61.13 1jfz s THR 414 Cb -0.05 -2.61 -0.08 0.00 0.01 0.00 0.00 72.50 69.77 1jfz s THR 414 CO -0.13 0.38 1.16 -0.36 -0.69 0.00 0.00 174.62 174.98 1jfz s PHE 415 N 1.48 3.49 0.12 4.92 0.40 -1.26 -4.96 117.98 122.18 1jfz s PHE 415 Ca 0.05 1.49 -0.15 0.00 -0.60 0.00 0.00 56.93 57.73 1jfz s PHE 415 Cb -0.15 -3.37 -0.03 0.00 0.51 0.00 0.00 43.02 39.99 1jfz s PHE 415 CO -0.02 -0.96 1.55 0.87 0.70 0.00 0.00 175.22 177.35 1jfz h LYS 416 N 5.22 0.71 -4.52 0.44 1.57 -2.00 -3.39 116.57 114.59 1jfz h LYS 416 Ca -0.44 -0.24 -0.69 0.00 -1.87 0.00 0.00 60.65 57.40 1jfz h LYS 416 Cb 1.21 -0.05 -0.34 0.00 0.08 0.00 0.00 32.23 33.13 1jfz h LYS 416 CO 0.74 0.82 -0.56 0.34 -0.57 0.00 0.00 179.45 180.22 1jfz s ASP 417 N -6.25 5.24 0.11 0.86 -1.08 -1.26 -5.00 116.67 109.28 1jfz s ASP 417 Ca -0.13 -1.87 -0.32 0.00 -0.52 0.00 0.00 52.55 49.71 1jfz s ASP 417 Cb 0.10 -1.83 -0.11 0.00 -1.46 0.00 0.00 42.92 39.62 1jfz s ASP 417 CO 0.80 -0.50 1.58 0.11 0.52 0.00 0.00 175.17 177.68 1jfz h LYS 418 N 8.07 -0.66 -0.05 4.34 1.79 -2.01 -2.66 116.57 125.39 1jfz h LYS 418 Ca -0.15 0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.38 1jfz h LYS 418 Cb 1.05 0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1jfz h LYS 418 CO 0.68 -0.44 0.14 0.66 -1.08 0.00 0.00 179.45 179.41 1jfz h SER 419 N -0.68 0.00 -0.53 0.86 4.64 -1.98 0.45 113.55 116.31 1jfz h SER 419 Ca 0.02 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 1jfz h SER 419 Cb 0.71 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 1jfz h SER 419 CO -0.26 0.00 0.19 0.25 -0.87 0.00 0.00 176.83 176.14 1jfz h LEU 420 N 0.00 0.76 -0.00 5.97 5.85 -1.91 -0.86 115.31 125.12 1jfz h LEU 420 Ca 0.02 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 1jfz h LEU 420 Cb 0.30 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 1jfz h LEU 420 CO -0.00 0.74 0.00 0.25 -0.34 0.00 0.00 178.44 179.09 1jfz h LEU 421 N 0.73 0.00 -1.05 2.25 6.46 -0.19 -2.84 115.31 120.68 1jfz h LEU 421 Ca 0.17 -0.29 0.14 0.00 -0.12 0.00 0.00 57.88 57.79 1jfz h LEU 421 Cb 0.24 -0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 40.08 1jfz h LEU 421 CO -0.01 0.29 0.62 -0.33 -0.62 0.00 0.00 178.44 178.39 1jfz h GLU 422 N -0.28 0.88 -0.16 1.25 5.08 -1.25 -2.56 114.58 117.54 1jfz h GLU 422 Ca 0.00 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1jfz h GLU 422 Cb 0.29 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1jfz h GLU 422 CO 0.00 0.58 0.02 -0.22 -1.00 0.00 0.00 179.01 178.39 1jfz h LYS 423 N 0.90 0.27 0.00 2.33 3.64 -1.10 -1.64 116.57 120.98 1jfz h LYS 423 Ca 0.51 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1jfz h LYS 423 Cb 0.62 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1jfz h LYS 423 CO -0.28 0.45 0.00 0.00 -2.27 0.00 0.00 179.45 177.35 1jfz h ALA 424 N 0.81 1.00 0.00 5.00 0.00 -1.22 -1.90 119.26 122.96 1jfz h ALA 424 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1jfz h ALA 424 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1jfz h ALA 424 CO 0.00 0.00 -0.86 1.28 0.00 0.00 0.00 179.25 179.67 1jfz n LEU 425 N -2.29 0.69 -4.54 0.00 7.99 -0.83 -4.61 117.00 113.42 1jfz n LEU 425 Ca 0.01 0.17 -0.41 0.00 -0.01 0.00 0.00 56.01 55.77 1jfz n LEU 425 Cb 0.16 -0.12 -0.10 0.00 -0.11 0.00 0.00 43.42 43.25 1jfz n LEU 425 CO 0.16 -0.06 0.00 -0.89 -1.51 0.00 0.00 177.39 175.10 1jfz s THR 426 N -3.23 5.19 0.59 -5.08 2.01 -0.68 -1.80 115.64 112.64 1jfz s THR 426 Ca 0.04 -0.04 -0.19 0.00 0.31 0.00 0.00 61.69 61.81 1jfz s THR 426 Cb 0.13 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 1jfz s THR 426 CO 0.76 -0.09 1.19 -2.28 -0.69 0.00 0.00 174.62 173.51 1jfz s HIS 427 N 1.95 2.45 0.58 4.92 2.46 -0.60 -1.47 115.29 125.57 1jfz s HIS 427 Ca 0.10 1.52 0.39 0.00 0.47 0.00 0.00 55.06 57.55 1jfz s HIS 427 Cb -0.17 -3.43 2.13 0.00 -0.13 0.00 0.00 32.58 30.98 1jfz s HIS 427 CO 0.11 -2.07 2.29 -0.24 -2.47 0.00 0.00 174.74 172.36 1jfz h VAL 428 N 0.89 0.16 -0.64 0.89 3.04 -1.89 -0.69 116.25 118.01 1jfz h VAL 428 Ca -0.50 -0.10 -0.05 0.00 -1.01 0.00 0.00 66.70 65.04 1jfz h VAL 428 Cb 1.29 1.08 -0.03 0.00 -2.01 0.00 0.00 31.29 31.62 1jfz h VAL 428 CO 0.55 0.01 0.19 0.77 -1.01 0.00 0.00 177.57 178.09 1jfz h SER 429 N 0.00 0.91 -0.07 3.17 4.64 -1.91 -3.15 113.55 117.13 1jfz h SER 429 Ca -0.00 -0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.13 1jfz h SER 429 Cb 0.08 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 61.93 1jfz h SER 429 CO 0.00 0.85 -0.07 0.22 -0.87 0.00 0.00 176.83 176.97 1jfz h TYR 430 N 0.94 0.21 -3.32 4.77 5.03 -1.37 -3.43 116.97 119.80 1jfz h TYR 430 Ca 0.21 -0.06 -0.36 0.00 2.58 0.00 0.00 58.73 61.10 1jfz h TYR 430 Cb 0.28 -0.04 -0.38 0.00 1.55 0.00 0.00 36.73 38.13 1jfz h TYR 430 CO 0.02 0.61 -0.73 0.45 -1.32 0.00 0.00 178.16 177.18 1jfz s SER 431 N -5.89 0.98 0.11 -2.11 0.15 -1.18 -5.01 113.70 100.74 1jfz s SER 431 Ca -0.15 0.09 0.25 0.00 0.70 0.00 0.00 55.95 56.84 1jfz s SER 431 Cb 0.03 -0.11 0.62 0.00 -1.71 0.00 0.00 66.02 64.86 1jfz s SER 431 CO 0.71 -0.23 1.54 2.29 1.20 0.00 0.00 173.24 178.75 1jfz n LYS 432 N 5.15 0.20 -0.00 5.44 2.85 -1.20 -3.48 118.16 127.12 1jfz n LYS 432 Ca -0.06 0.10 0.09 0.00 -1.05 0.00 0.00 58.31 57.39 1jfz n LYS 432 Cb 0.50 -1.66 -0.13 0.00 -0.65 0.00 0.00 35.03 33.09 1jfz n LYS 432 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1jfz n LYS 433 N -1.97 0.62 -3.03 -1.58 5.02 -1.26 -4.77 118.16 111.18 1jfz n LYS 433 Ca 0.05 -0.07 -0.15 0.00 -2.02 0.00 0.00 58.31 56.12 1jfz n LYS 433 Cb 0.41 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.95 1jfz n LYS 433 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1jfz n GLU 434 N -1.74 0.45 -4.66 1.97 1.02 -1.23 -5.13 120.64 111.33 1jfz n GLU 434 Ca 0.01 -2.53 -0.30 0.00 -0.02 0.00 0.00 57.16 54.32 1jfz n GLU 434 Cb 0.39 -1.52 -0.08 0.00 -0.02 0.00 0.00 31.44 30.21 1jfz n GLU 434 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1jfz s HIS 435 N 0.36 1.86 -0.63 -0.32 -3.43 -1.25 -4.67 115.29 107.22 1jfz s HIS 435 Ca 0.32 -1.07 0.25 0.00 -0.80 0.00 0.00 55.06 53.75 1jfz s HIS 435 Cb 0.06 -1.44 0.66 0.00 -1.43 0.00 0.00 32.58 30.42 1jfz s HIS 435 CO -0.13 0.03 1.72 0.10 -2.00 0.00 0.00 174.74 174.46 1jfz h TYR 436 N 1.54 0.00 -0.96 0.38 -0.00 -0.88 -3.40 116.97 113.65 1jfz h TYR 436 Ca -0.41 0.00 0.31 0.00 0.00 0.00 0.00 58.73 58.63 1jfz h TYR 436 Cb 1.30 0.00 -0.16 0.00 0.00 0.00 0.00 36.73 37.87 1jfz h TYR 436 CO 1.49 0.00 0.40 1.49 -0.00 0.00 0.00 178.16 181.54 1jfz h GLU 437 N 0.00 0.19 0.20 0.10 4.81 -1.89 0.25 114.58 118.24 1jfz h GLU 437 Ca 0.00 -0.01 -0.31 0.00 -0.13 0.00 0.00 59.36 58.91 1jfz h GLU 437 Cb 0.82 -0.04 0.03 0.00 0.63 0.00 0.00 28.75 30.18 1jfz h GLU 437 CO 0.00 0.13 -1.37 1.15 -0.73 0.00 0.00 179.01 178.18 1jfz h THR 438 N 0.20 1.37 0.00 0.32 2.02 -1.99 -2.51 112.91 112.31 1jfz h THR 438 Ca 0.68 -2.82 -0.02 0.00 0.77 0.00 0.00 66.41 65.03 1jfz h THR 438 Cb 1.55 2.98 -0.00 0.00 -1.74 0.00 0.00 68.15 70.94 1jfz h THR 438 CO -0.69 0.84 -0.09 -0.07 0.37 0.00 0.00 175.52 175.88 1jfz h LEU 439 N 0.13 0.00 -0.36 2.58 3.38 -1.44 -2.54 115.31 117.05 1jfz h LEU 439 Ca -0.21 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.57 1jfz h LEU 439 Cb 2.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.82 1jfz h LEU 439 CO 0.25 0.09 -0.73 -0.08 0.09 0.00 0.00 178.44 178.06 1jfz h GLU 440 N 0.00 0.50 -0.87 1.13 4.81 -0.35 0.28 114.58 120.07 1jfz h GLU 440 Ca -0.00 -0.40 0.04 0.00 -0.13 0.00 0.00 59.36 58.87 1jfz h GLU 440 Cb 0.41 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.82 1jfz h GLU 440 CO 0.01 1.03 0.57 0.35 -0.73 0.00 0.00 179.01 180.24 1jfz h PHE 441 N 0.34 1.04 0.02 0.92 3.57 -1.04 0.39 116.94 122.18 1jfz h PHE 441 Ca -0.03 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1jfz h PHE 441 Cb 1.31 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.71 1jfz h PHE 441 CO 0.05 0.59 -0.11 1.25 -2.23 0.00 0.00 178.31 177.86 1jfz h LEU 442 N 1.06 0.07 -1.97 0.59 5.85 -1.41 -3.29 115.31 116.21 1jfz h LEU 442 Ca 0.35 -0.97 0.23 0.00 0.84 0.00 0.00 57.88 58.33 1jfz h LEU 442 Cb 0.07 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1jfz h LEU 442 CO -0.11 1.04 0.57 1.23 -0.34 0.00 0.00 178.44 180.83 1jfz h GLY 443 N -0.89 0.05 0.92 3.75 0.00 -0.32 -0.70 103.07 105.88 1jfz h GLY 443 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1jfz h GLY 443 CO 0.02 -0.00 -0.17 -1.80 0.00 0.00 0.00 176.54 174.59 1jfz h ASP 444 N 0.02 -0.44 0.13 0.19 1.82 -0.98 -1.89 116.42 115.27 1jfz h ASP 444 Ca 0.38 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 57.04 1jfz h ASP 444 Cb 1.49 0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.63 1jfz h ASP 444 CO -0.01 -0.28 -0.06 0.00 -1.61 0.00 0.00 179.24 177.27 1jfz h ALA 445 N 0.25 -0.17 -0.03 -0.78 0.00 -1.24 -2.81 119.26 114.47 1jfz h ALA 445 Ca -0.03 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1jfz h ALA 445 Cb 0.37 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1jfz h ALA 445 CO 0.03 -0.45 -0.22 1.25 0.00 0.00 0.00 179.25 179.86 1jfz h LEU 446 N -0.48 -0.67 -0.74 0.00 5.85 -1.34 -2.27 115.31 115.66 1jfz h LEU 446 Ca -0.02 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1jfz h LEU 446 Cb 0.38 0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1jfz h LEU 446 CO 0.03 -0.29 0.32 0.58 -0.34 0.00 0.00 178.44 178.74 1jfz h VAL 447 N -0.34 1.25 -0.99 1.05 2.07 -1.40 -0.71 116.25 117.18 1jfz h VAL 447 Ca 0.07 -0.75 0.12 0.00 0.82 0.00 0.00 66.70 66.95 1jfz h VAL 447 Cb 0.43 0.36 -0.08 0.00 -1.52 0.00 0.00 31.29 30.48 1jfz h VAL 447 CO -0.22 0.31 0.63 -1.13 0.02 0.00 0.00 177.57 177.17 1jfz h ASN 448 N 1.06 0.91 -0.20 0.57 -1.24 -1.34 -1.61 115.58 113.73 1jfz h ASN 448 Ca 0.25 0.04 -0.05 0.00 0.71 0.00 0.00 56.30 57.25 1jfz h ASN 448 Cb 0.18 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.08 1jfz h ASN 448 CO -0.02 0.50 -0.07 0.15 -1.29 0.00 0.00 177.43 176.70 1jfz h PHE 449 N 0.98 0.45 -0.69 0.67 3.57 -0.67 -0.86 116.94 120.40 1jfz h PHE 449 Ca 0.48 -0.10 0.13 0.00 3.53 0.00 0.00 57.97 62.01 1jfz h PHE 449 Cb 0.47 -0.11 -0.10 0.00 2.79 0.00 0.00 35.95 39.01 1jfz h PHE 449 CO -0.00 0.66 0.20 0.74 -2.23 0.00 0.00 178.31 177.69 1jfz h PHE 450 N 0.11 0.33 0.00 0.41 0.04 -0.27 -1.18 116.94 116.38 1jfz h PHE 450 Ca 0.05 0.04 -0.22 0.00 2.80 0.00 0.00 57.97 60.63 1jfz h PHE 450 Cb 0.53 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.60 1jfz h PHE 450 CO 0.06 -0.01 -1.15 0.82 -0.60 0.00 0.00 178.31 177.42 1jfz h ILE 451 N 0.33 1.46 -0.05 -0.55 2.04 -1.36 -2.54 117.51 116.83 1jfz h ILE 451 Ca 0.38 -3.19 -0.15 0.00 1.00 0.00 0.00 64.86 62.89 1jfz h ILE 451 Cb 0.58 2.72 -0.01 0.00 -0.74 0.00 0.00 36.82 39.37 1jfz h ILE 451 CO -0.43 0.83 -0.65 0.58 0.00 0.00 0.00 178.15 178.48 1jfz h VAL 452 N 0.00 1.41 -0.53 1.67 2.07 -0.79 -0.36 116.25 119.72 1jfz h VAL 452 Ca -0.08 -2.10 -0.12 0.00 0.82 0.00 0.00 66.70 65.23 1jfz h VAL 452 Cb 1.81 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 33.65 1jfz h VAL 452 CO 0.11 0.62 -0.13 -0.78 0.02 0.00 0.00 177.57 177.41 1jfz h ASP 453 N 0.15 1.03 -0.23 0.57 3.58 -1.27 -0.82 116.42 119.44 1jfz h ASP 453 Ca -0.01 -0.36 -0.13 0.00 0.42 0.00 0.00 57.03 56.95 1jfz h ASP 453 Cb 1.17 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.94 1jfz h ASP 453 CO 0.10 1.15 -0.38 0.25 -2.88 0.00 0.00 179.24 177.49 1jfz h LEU 454 N 0.90 0.73 0.25 2.28 5.85 -1.23 -2.99 115.31 121.09 1jfz h LEU 454 Ca 0.13 -0.53 0.01 0.00 0.84 0.00 0.00 57.88 58.33 1jfz h LEU 454 Cb 0.70 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1jfz h LEU 454 CO 0.05 1.11 -0.31 0.25 -0.34 0.00 0.00 178.44 179.21 1jfz h LEU 455 N 0.36 -0.85 -1.65 2.25 5.85 -1.06 -0.10 115.31 120.12 1jfz h LEU 455 Ca 0.02 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1jfz h LEU 455 Cb 0.97 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 1jfz h LEU 455 CO 0.09 -0.43 0.17 1.62 -0.34 0.00 0.00 178.44 179.55 1jfz h VAL 456 N -0.61 1.09 0.48 1.05 3.04 -1.22 0.25 116.25 120.32 1jfz h VAL 456 Ca -0.00 -0.22 -0.02 0.00 -1.01 0.00 0.00 66.70 65.44 1jfz h VAL 456 Cb 0.58 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 1jfz h VAL 456 CO -0.10 0.10 -0.23 1.56 -1.01 0.00 0.00 177.57 177.89 1jfz h GLN 457 N 0.42 -0.62 -0.01 4.17 4.20 -1.33 -3.38 115.11 118.56 1jfz h GLN 457 Ca 0.11 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1jfz h GLN 457 Cb -0.00 0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1jfz h GLN 457 CO -0.02 -0.40 -0.44 0.66 -0.67 0.00 0.00 178.83 177.96 1jfz n TYR 458 N -5.20 0.00 -1.58 2.96 4.01 -0.07 -4.91 117.16 112.37 1jfz n TYR 458 Ca -0.08 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.25 1jfz n TYR 458 Cb 0.26 -0.13 0.02 0.00 -0.31 0.00 0.00 39.34 39.18 1jfz n TYR 458 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1jfz n SER 459 N -0.91 0.74 0.21 7.72 2.88 0.86 -4.90 113.62 120.22 1jfz n SER 459 Ca 0.09 0.97 -0.15 0.00 -1.33 0.00 0.00 58.87 58.45 1jfz n SER 459 Cb 0.36 -1.31 -0.08 0.00 -0.75 0.00 0.00 64.21 62.43 1jfz n SER 459 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1jfz h PRO 460 N 1.21 -0.47 -6.49 -1.46 0.13 -1.89 -3.44 132.00 119.59 1jfz h PRO 460 Ca -0.44 0.03 -0.63 0.00 -0.87 0.00 0.00 66.00 64.08 1jfz h PRO 460 Cb 1.35 0.11 -0.16 0.00 0.13 0.00 0.00 31.00 32.43 1jfz h PRO 460 CO 0.55 -0.27 -0.76 0.54 -0.23 0.00 0.00 178.00 177.83 1jfz s ASN 461 N -4.82 3.94 -0.66 1.44 6.03 -1.26 -5.07 114.94 114.55 1jfz s ASN 461 Ca -0.15 -0.70 0.01 0.00 -1.03 0.00 0.00 52.86 50.99 1jfz s ASN 461 Cb 0.04 -0.54 0.38 0.00 -3.03 0.00 0.00 41.25 38.10 1jfz s ASN 461 CO 0.62 0.11 1.61 0.29 -2.03 0.00 0.00 177.10 177.70 1jfz n LYS 462 N 0.08 3.06 -3.43 3.55 4.01 -1.26 -4.83 118.16 119.34 1jfz n LYS 462 Ca -0.11 -3.97 -0.37 0.00 -0.51 0.00 0.00 58.31 53.35 1jfz n LYS 462 Cb 0.56 -2.26 -0.07 0.00 -0.51 0.00 0.00 35.03 32.75 1jfz n LYS 462 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1jfz s ARG 463 N -3.83 4.24 0.18 1.97 3.52 -1.26 -4.97 118.95 118.80 1jfz s ARG 463 Ca 0.50 0.21 -0.18 0.00 -0.13 0.00 0.00 55.73 56.13 1jfz s ARG 463 Cb 0.42 -3.47 0.14 0.00 -1.56 0.00 0.00 34.95 30.48 1jfz s ARG 463 CO -0.31 0.11 1.62 1.49 -0.81 0.00 0.00 175.30 177.39 1jfz h GLU 464 N 6.98 -0.12 -0.09 5.12 4.57 -1.98 0.73 114.58 129.80 1jfz h GLU 464 Ca -0.39 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 57.83 1jfz h GLU 464 Cb 1.17 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1jfz h GLU 464 CO 0.74 -0.08 0.18 0.78 -1.18 0.00 0.00 179.01 179.45 1jfz h GLY 465 N -0.12 0.00 0.08 1.92 0.00 -2.01 -1.08 103.07 101.86 1jfz h GLY 465 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.23 1jfz h GLY 465 CO -0.58 0.00 -1.85 0.33 0.00 0.00 0.00 176.54 174.44 1jfz n PHE 466 N -3.43 0.67 -0.26 5.60 7.35 0.63 -4.35 117.46 123.67 1jfz n PHE 466 Ca -0.00 0.25 0.06 0.00 -0.76 0.00 0.00 57.45 57.00 1jfz n PHE 466 Cb 0.27 -1.07 0.20 0.00 0.35 0.00 0.00 39.48 39.23 1jfz n PHE 466 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1jfz h LEU 467 N -0.78 0.18 0.17 -2.13 3.38 0.11 -2.63 115.31 113.61 1jfz h LEU 467 Ca -0.49 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1jfz h LEU 467 Cb 1.55 0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.43 1jfz h LEU 467 CO -0.23 0.03 -0.08 0.28 0.09 0.00 0.00 178.44 178.53 1jfz h SER 468 N 0.37 -0.19 -0.43 -0.43 0.02 -1.45 0.21 113.55 111.64 1jfz h SER 468 Ca 0.43 -0.09 0.09 0.00 -0.84 0.00 0.00 61.79 61.38 1jfz h SER 468 Cb 0.72 0.05 -0.09 0.00 0.14 0.00 0.00 62.40 63.22 1jfz h SER 468 CO -0.46 -0.02 -0.26 -0.65 -1.14 0.00 0.00 176.83 174.29 1jfz h PRO 469 N -0.35 -0.17 -0.83 3.45 0.11 -1.67 0.46 132.00 133.00 1jfz h PRO 469 Ca -0.02 0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.11 1jfz h PRO 469 Cb 0.27 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.38 1jfz h PRO 469 CO 0.04 -0.12 0.54 -0.07 -0.21 0.00 0.00 178.00 178.18 1jfz h LEU 470 N -0.18 0.95 -0.32 2.35 3.38 -1.34 -2.57 115.31 117.58 1jfz h LEU 470 Ca 0.20 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1jfz h LEU 470 Cb 0.50 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1jfz h LEU 470 CO -0.53 0.70 0.12 0.50 0.09 0.00 0.00 178.44 179.31 1jfz h LYS 471 N 1.12 0.49 -0.14 1.13 3.64 0.15 -1.29 116.57 121.67 1jfz h LYS 471 Ca 0.30 -0.10 0.05 0.00 -1.27 0.00 0.00 60.65 59.63 1jfz h LYS 471 Cb -0.12 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.56 1jfz h LYS 471 CO -0.06 0.51 -0.32 0.00 -2.27 0.00 0.00 179.45 177.30 1jfz h ALA 472 N 0.96 -0.37 0.15 5.00 0.00 0.13 -1.51 119.26 123.61 1jfz h ALA 472 Ca 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1jfz h ALA 472 Cb 0.21 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1jfz h ALA 472 CO -0.01 -0.80 -0.08 -0.92 0.00 0.00 0.00 179.25 177.44 1jfz h TYR 473 N -0.39 -0.21 -0.09 0.00 3.20 -1.38 -2.28 116.97 115.81 1jfz h TYR 473 Ca 0.10 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.99 1jfz h TYR 473 Cb 0.55 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.89 1jfz h TYR 473 CO -0.41 -0.13 0.13 -0.07 -1.64 0.00 0.00 178.16 176.04 1jfz h LEU 474 N -0.22 0.00 -3.03 2.82 3.38 -0.69 0.87 115.31 118.45 1jfz h LEU 474 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1jfz h LEU 474 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1jfz h LEU 474 CO 0.02 0.00 0.00 2.30 0.09 0.00 0.00 178.44 180.85 1jfz n ILE 475 N -3.62 1.47 -2.12 1.22 -5.35 -0.62 -4.62 119.36 105.72 1jfz n ILE 475 Ca -0.01 -1.37 -0.33 0.00 -0.27 0.00 0.00 62.75 60.77 1jfz n ILE 475 Cb 0.23 0.21 0.01 0.00 -1.74 0.00 0.00 39.64 38.34 1jfz n ILE 475 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1jfz s SER 476 N -1.44 5.73 0.29 7.28 1.04 0.30 -4.86 113.70 122.04 1jfz s SER 476 Ca 0.26 1.95 -0.01 0.00 0.48 0.00 0.00 55.95 58.64 1jfz s SER 476 Cb 0.18 -2.55 0.47 0.00 0.10 0.00 0.00 66.02 64.22 1jfz s SER 476 CO 0.10 -1.20 1.91 -0.08 0.98 0.00 0.00 173.24 174.95 1jfz h GLU 477 N 0.72 1.07 -0.80 4.02 4.81 -1.90 -0.13 114.58 122.36 1jfz h GLU 477 Ca -0.48 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 58.70 1jfz h GLU 477 Cb 1.23 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 30.33 1jfz h GLU 477 CO 0.57 0.71 0.53 1.49 -0.73 0.00 0.00 179.01 181.57 1jfz h GLU 478 N 1.10 1.04 -0.03 1.92 4.81 -1.92 -1.02 114.58 120.47 1jfz h GLU 478 Ca 0.39 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.48 1jfz h GLU 478 Cb 0.13 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1jfz h GLU 478 CO -0.14 0.68 -0.27 0.35 -0.73 0.00 0.00 179.01 178.91 1jfz h PHE 479 N 1.07 0.34 -0.11 0.92 3.57 -1.53 -2.17 116.94 119.03 1jfz h PHE 479 Ca 0.30 -0.16 0.03 0.00 3.53 0.00 0.00 57.97 61.67 1jfz h PHE 479 Cb -0.10 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.59 1jfz h PHE 479 CO -0.02 0.91 0.10 0.74 -2.23 0.00 0.00 178.31 177.81 1jfz h PHE 480 N -0.33 0.00 -0.17 0.41 -1.00 -0.99 1.00 116.94 115.87 1jfz h PHE 480 Ca -0.02 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.57 1jfz h PHE 480 Cb 0.96 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.52 1jfz h PHE 480 CO 0.15 0.00 -0.64 -0.91 -1.61 0.00 0.00 178.31 175.30 1jfz h ASN 481 N 0.00 0.70 -0.24 2.17 2.35 -1.09 -1.57 115.58 117.90 1jfz h ASN 481 Ca 0.05 -0.41 0.05 0.00 -0.55 0.00 0.00 56.30 55.44 1jfz h ASN 481 Cb 0.24 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.36 1jfz h ASN 481 CO -0.00 1.16 -0.09 -0.07 -1.65 0.00 0.00 177.43 176.77 1jfz h LEU 482 N 0.44 -0.32 0.02 1.61 -0.00 -0.14 -2.34 115.31 114.59 1jfz h LEU 482 Ca -0.01 0.08 -0.00 0.00 -0.00 0.00 0.00 57.88 57.95 1jfz h LEU 482 Cb 1.22 0.19 0.00 0.00 -0.00 0.00 0.00 40.66 42.06 1jfz h LEU 482 CO 0.12 -0.12 -0.01 -0.07 -0.00 0.00 0.00 178.44 178.36 1jfz h LEU 483 N -0.05 -0.02 -1.65 1.67 3.38 -1.45 -3.12 115.31 114.07 1jfz h LEU 483 Ca 0.12 -0.36 0.18 0.00 0.09 0.00 0.00 57.88 57.91 1jfz h LEU 483 Cb 0.24 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1jfz h LEU 483 CO -0.28 0.35 0.53 0.00 0.09 0.00 0.00 178.44 179.14 1jfz h ALA 484 N 0.57 2.27 -0.21 1.53 0.00 -1.23 -0.93 119.26 121.26 1jfz h ALA 484 Ca -0.00 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1jfz h ALA 484 Cb 0.38 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1jfz h ALA 484 CO 0.00 -0.49 -0.22 1.96 0.00 0.00 0.00 179.25 180.50 1jfz h GLN 485 N 0.32 -0.23 -1.14 0.00 4.20 -1.35 -1.17 115.11 115.74 1jfz h GLN 485 Ca 0.39 0.02 0.32 0.00 0.06 0.00 0.00 58.65 59.44 1jfz h GLN 485 Cb 1.06 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 28.81 1jfz h GLN 485 CO -0.11 -0.15 0.77 0.87 -0.67 0.00 0.00 178.83 179.54 1jfz h LYS 486 N -0.24 0.19 -0.16 1.46 1.57 -1.21 1.45 116.57 119.63 1jfz h LYS 486 Ca 0.13 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1jfz h LYS 486 Cb 0.43 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1jfz h LYS 486 CO -0.35 0.13 0.00 1.28 -0.57 0.00 0.00 179.45 179.94 1jfz n LEU 487 N -4.45 2.75 -4.08 2.94 4.32 -0.53 -4.97 117.00 112.98 1jfz n LEU 487 Ca 0.27 -1.04 -0.45 0.00 -0.02 0.00 0.00 56.01 54.77 1jfz n LEU 487 Cb 1.10 -0.10 0.01 0.00 -1.62 0.00 0.00 43.42 42.81 1jfz n LEU 487 CO 0.31 0.52 -0.19 -1.84 -1.22 0.00 0.00 177.39 174.97 1jfz n GLU 488 N 1.08 -0.39 0.25 3.23 0.28 0.50 -4.82 120.64 120.77 1jfz n GLU 488 Ca 0.17 0.10 0.09 0.00 -0.16 0.00 0.00 57.16 57.35 1jfz n GLU 488 Cb 0.53 -2.73 0.63 0.00 1.43 0.00 0.00 31.44 31.31 1jfz n GLU 488 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1jfz h LEU 489 N -2.53 0.00 -1.05 -1.84 5.85 -1.55 -2.42 115.31 111.78 1jfz h LEU 489 Ca -0.71 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.01 1jfz h LEU 489 Cb 1.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.43 1jfz h LEU 489 CO 0.54 0.13 0.17 0.00 -0.34 0.00 0.00 178.44 178.93 1jfz n HIS 490 N -4.08 0.53 0.07 1.25 1.44 -1.26 -1.50 115.22 111.68 1jfz n HIS 490 Ca -0.02 0.28 0.04 0.00 -2.01 0.00 0.00 57.72 56.00 1jfz n HIS 490 Cb 0.21 -0.83 -0.04 0.00 0.12 0.00 0.00 29.99 29.45 1jfz n HIS 490 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 1jfz h LYS 491 N 0.00 0.00 -0.01 -1.40 1.79 -1.79 -3.39 116.57 111.78 1jfz h LYS 491 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1jfz h LYS 491 Cb 0.34 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1jfz h LYS 491 CO 0.00 0.23 -0.44 1.19 -1.08 0.00 0.00 179.45 179.35 1jfz n PHE 492 N -2.88 0.00 -2.27 -1.35 3.01 -0.56 -4.95 117.46 108.46 1jfz n PHE 492 Ca -0.05 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.99 1jfz n PHE 492 Cb 0.74 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.18 1jfz n PHE 492 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1jfz s ILE 493 N -1.99 3.39 -0.43 4.37 1.01 -1.22 -4.76 121.20 121.57 1jfz s ILE 493 Ca 0.10 1.11 -0.17 0.00 0.00 0.00 0.00 60.65 61.69 1jfz s ILE 493 Cb 0.12 -3.71 0.03 0.00 0.01 0.00 0.00 42.46 38.90 1jfz s ILE 493 CO 0.45 0.15 0.43 -0.13 0.00 0.00 0.00 174.94 175.84 1jfz s ARG 494 N 0.14 3.06 0.17 2.79 0.52 -0.75 -5.04 118.95 119.84 1jfz s ARG 494 Ca 0.57 -0.87 0.01 0.00 -0.52 0.00 0.00 55.73 54.91 1jfz s ARG 494 Cb -0.35 -4.00 -0.04 0.00 0.52 0.00 0.00 34.95 31.08 1jfz s ARG 494 CO 0.36 -0.89 0.04 -1.50 0.02 0.00 0.00 175.30 173.33 1jfz s ILE 495 N 2.06 0.42 0.02 1.52 2.07 -1.26 -1.56 121.20 124.46 1jfz s ILE 495 Ca 0.10 -1.96 0.00 0.00 -1.41 0.00 0.00 60.65 57.38 1jfz s ILE 495 Cb -0.18 -2.19 -0.02 0.00 0.13 0.00 0.00 42.46 40.20 1jfz s ILE 495 CO 0.12 -0.38 -0.03 -0.54 -1.91 0.00 0.00 174.94 172.21 1jfz s LYS 496 N -3.99 0.30 -0.96 3.50 1.02 -1.26 -4.77 119.74 113.58 1jfz s LYS 496 Ca 0.27 -0.59 -0.10 0.00 0.02 0.00 0.00 55.97 55.57 1jfz s LYS 496 Cb 0.07 0.10 -0.01 0.00 -0.52 0.00 0.00 37.83 37.47 1jfz s LYS 496 CO 0.05 -0.05 0.74 0.54 -0.92 0.00 0.00 175.35 175.71 1jfz n ARG 497 N 1.66 -1.39 -0.15 1.68 3.00 -1.26 -4.82 116.66 115.37 1jfz n ARG 497 Ca -0.24 0.84 0.00 0.00 -0.01 0.00 0.00 57.85 58.44 1jfz n ARG 497 Cb 0.55 -4.32 0.00 0.00 0.00 0.00 0.00 32.46 28.70 1jfz n ARG 497 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jfz n GLY 498 N -1.66 0.90 3.84 -0.13 0.00 -1.26 -5.12 105.19 101.75 1jfz n GLY 498 Ca -0.11 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.69 1jfz n GLY 498 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jfz s LYS 499 N -1.72 3.20 0.45 1.61 2.36 -1.26 -5.02 119.74 119.35 1jfz s LYS 499 Ca 0.00 -0.47 -0.13 0.00 -2.55 0.00 0.00 55.97 52.83 1jfz s LYS 499 Cb 0.00 -2.93 -0.07 0.00 -1.05 0.00 0.00 37.83 33.78 1jfz s LYS 499 CO 0.00 0.64 0.86 0.42 1.55 0.00 0.00 175.35 178.81 1jfz s ILE 500 N -1.31 4.69 0.34 5.43 1.09 -1.26 -5.09 121.20 125.09 1jfz s ILE 500 Ca 0.27 0.84 0.04 0.00 -1.10 0.00 0.00 60.65 60.70 1jfz s ILE 500 Cb -0.12 -3.73 -0.02 0.00 -1.06 0.00 0.00 42.46 37.53 1jfz s ILE 500 CO 0.19 -0.61 0.37 0.54 -0.10 0.00 0.00 174.94 175.33 1jfz s ASN 501 N -3.17 1.44 0.40 3.58 6.03 -1.26 -5.04 114.94 116.93 1jfz s ASN 501 Ca 0.54 -1.68 0.09 0.00 -1.03 0.00 0.00 52.86 50.79 1jfz s ASN 501 Cb -0.10 0.61 0.88 0.00 -3.03 0.00 0.00 41.25 39.61 1jfz s ASN 501 CO 0.32 -1.18 2.00 -0.08 -2.03 0.00 0.00 177.10 176.14 1jfz h GLU 502 N 2.10 0.55 0.00 3.55 4.57 -1.98 0.06 114.58 123.43 1jfz h GLU 502 Ca -0.26 -0.03 -0.25 0.00 -1.18 0.00 0.00 59.36 57.64 1jfz h GLU 502 Cb 1.23 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.66 1jfz h GLU 502 CO 0.37 0.36 -1.39 1.79 -1.18 0.00 0.00 179.01 178.96 1jfz h THR 503 N 0.56 1.13 -0.40 0.32 1.35 -1.97 -2.19 112.91 111.71 1jfz h THR 503 Ca 0.24 -2.90 -0.08 0.00 -0.55 0.00 0.00 66.41 63.12 1jfz h THR 503 Cb 0.24 2.55 -0.01 0.00 -1.73 0.00 0.00 68.15 69.19 1jfz h THR 503 CO -0.07 0.65 -0.06 0.40 -0.25 0.00 0.00 175.52 176.19 1jfz h ILE 504 N 0.00 1.27 -0.86 6.82 2.04 -1.86 0.25 117.51 125.17 1jfz h ILE 504 Ca -0.17 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 64.57 1jfz h ILE 504 Cb 1.88 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 39.09 1jfz h ILE 504 CO 0.09 0.38 0.52 0.40 0.00 0.00 0.00 178.15 179.54 1jfz h ILE 505 N 0.57 1.24 -0.48 -0.67 2.04 -1.06 0.12 117.51 119.26 1jfz h ILE 505 Ca 0.11 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 1jfz h ILE 505 Cb 0.56 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1jfz h ILE 505 CO 0.03 0.25 0.30 1.23 0.00 0.00 0.00 178.15 179.96 1jfz h GLY 506 N 1.18 0.70 1.29 5.37 0.00 -1.17 -1.46 103.07 108.99 1jfz h GLY 506 Ca 0.31 -0.28 -0.15 0.00 0.00 0.00 0.00 47.33 47.20 1jfz h GLY 506 CO -0.06 0.28 -0.41 -0.55 0.00 0.00 0.00 176.54 175.80 1jfz h ASP 507 N 0.65 0.83 0.69 0.19 3.32 0.02 -2.54 116.42 119.58 1jfz h ASP 507 Ca 0.17 -0.38 -0.04 0.00 0.02 0.00 0.00 57.03 56.80 1jfz h ASP 507 Cb -0.02 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1jfz h ASP 507 CO -0.03 1.13 -0.21 0.58 -1.72 0.00 0.00 179.24 178.99 1jfz h VAL 508 N 0.63 0.62 -0.11 -1.35 2.07 -0.72 -2.69 116.25 114.69 1jfz h VAL 508 Ca 0.05 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 1jfz h VAL 508 Cb 0.97 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1jfz h VAL 508 CO 0.09 0.21 -0.09 0.15 0.02 0.00 0.00 177.57 177.94 1jfz h PHE 509 N 0.00 0.31 -0.58 1.57 3.57 -0.86 -1.85 116.94 119.09 1jfz h PHE 509 Ca -0.00 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.44 1jfz h PHE 509 Cb 0.61 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 1jfz h PHE 509 CO 0.00 0.66 0.36 0.93 -2.23 0.00 0.00 178.31 178.02 1jfz h GLU 510 N -0.13 0.68 -0.16 1.11 5.08 -1.34 -2.82 114.58 116.99 1jfz h GLU 510 Ca 0.02 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1jfz h GLU 510 Cb 0.60 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1jfz h GLU 510 CO 0.02 0.45 -0.29 0.00 -1.00 0.00 0.00 179.01 178.20 1jfz h ALA 511 N 1.26 1.21 -0.74 3.43 0.00 -1.47 -2.11 119.26 120.83 1jfz h ALA 511 Ca 0.23 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1jfz h ALA 511 Cb 0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1jfz h ALA 511 CO -0.10 0.52 0.45 1.25 0.00 0.00 0.00 179.25 181.37 1jfz h LEU 512 N 0.28 0.88 -0.14 0.00 5.85 -1.07 0.27 115.31 121.38 1jfz h LEU 512 Ca 0.04 -0.05 -0.23 0.00 0.84 0.00 0.00 57.88 58.48 1jfz h LEU 512 Cb 0.65 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 41.47 1jfz h LEU 512 CO 0.05 0.67 -0.93 -0.50 -0.34 0.00 0.00 178.44 177.39 1jfz h TRP 513 N 1.02 0.82 -0.66 1.25 4.06 -1.40 0.13 115.95 121.17 1jfz h TRP 513 Ca 0.27 -0.42 0.05 0.00 2.06 0.00 0.00 58.89 60.85 1jfz h TRP 513 Cb -0.05 -0.10 -0.04 0.00 -1.00 0.00 0.00 29.16 27.97 1jfz h TRP 513 CO 0.00 1.24 0.44 0.00 -3.56 0.00 0.00 178.44 176.56 1jfz h ALA 514 N 0.62 1.71 -0.07 1.49 0.00 -0.92 0.59 119.26 122.68 1jfz h ALA 514 Ca -0.09 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1jfz h ALA 514 Cb 1.56 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1jfz h ALA 514 CO 0.17 0.20 -0.18 0.00 0.00 0.00 0.00 179.25 179.44 1jfz h ALA 515 N 1.63 0.12 -0.48 0.00 0.00 -0.63 0.21 119.26 120.10 1jfz h ALA 515 Ca 0.28 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1jfz h ALA 515 Cb 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1jfz h ALA 515 CO -0.08 0.06 0.30 0.28 0.00 0.00 0.00 179.25 179.81 1jfz h VAL 516 N -0.23 1.08 0.09 0.00 2.07 -0.53 0.43 116.25 119.15 1jfz h VAL 516 Ca -0.00 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.33 1jfz h VAL 516 Cb 0.78 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1jfz h VAL 516 CO 0.04 0.11 -0.47 0.22 0.02 0.00 0.00 177.57 177.49 1jfz h TYR 517 N 0.61 -1.36 -0.06 1.57 3.20 0.31 -1.86 116.97 119.38 1jfz h TYR 517 Ca 0.19 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1jfz h TYR 517 Cb -0.02 0.58 -0.00 0.00 1.54 0.00 0.00 36.73 38.83 1jfz h TYR 517 CO -0.06 -0.55 0.00 0.82 -1.64 0.00 0.00 178.16 176.73 1jfz h ILE 518 N -0.68 1.24 -0.99 1.81 2.04 -0.05 -1.25 117.51 119.62 1jfz h ILE 518 Ca 0.02 -0.73 0.20 0.00 1.00 0.00 0.00 64.86 65.35 1jfz h ILE 518 Cb 0.71 1.60 -0.11 0.00 -0.74 0.00 0.00 36.82 38.29 1jfz h ILE 518 CO -0.29 0.20 0.59 -0.78 0.00 0.00 0.00 178.15 177.87 1jfz h ASP 519 N -0.16 0.74 -0.00 1.72 3.58 -0.08 -1.57 116.42 120.65 1jfz h ASP 519 Ca 0.02 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1jfz h ASP 519 Cb 0.31 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1jfz h ASP 519 CO 0.00 0.24 0.00 -1.54 -2.88 0.00 0.00 179.24 175.06 1jfz n SER 520 N -4.80 0.61 -0.36 2.28 3.41 -0.71 -4.75 113.62 109.30 1jfz n SER 520 Ca 0.24 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.84 1jfz n SER 520 Cb 0.59 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1jfz n SER 520 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jfz n GLY 521 N 0.20 0.84 3.96 5.00 0.00 -0.62 -3.72 105.19 110.85 1jfz n GLY 521 Ca 0.00 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 1jfz n GLY 521 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfz n ARG 522 N -0.60 -4.06 -2.95 1.61 1.74 -0.48 -4.91 116.66 107.01 1jfz n ARG 522 Ca 0.00 0.48 -0.44 0.00 -0.77 0.00 0.00 57.85 57.12 1jfz n ARG 522 Cb 0.47 -4.98 -0.03 0.00 -1.02 0.00 0.00 32.46 26.90 1jfz n ARG 522 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1jfz s ASP 523 N -3.91 6.38 0.27 0.55 -1.08 -1.22 -4.90 116.67 112.76 1jfz s ASP 523 Ca 0.30 -1.56 0.11 0.00 -0.52 0.00 0.00 52.55 50.89 1jfz s ASP 523 Cb -0.16 -2.38 0.34 0.00 -1.46 0.00 0.00 42.92 39.26 1jfz s ASP 523 CO 0.87 -1.20 1.59 0.00 0.52 0.00 0.00 175.17 176.96 1jfz h ALA 524 N 9.14 0.92 -0.06 3.66 0.00 -1.90 -2.34 119.26 128.68 1jfz h ALA 524 Ca -0.10 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.22 1jfz h ALA 524 Cb 1.05 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1jfz h ALA 524 CO 1.12 0.77 -0.06 -0.91 0.00 0.00 0.00 179.25 180.18 1jfz h ASN 525 N 0.00 0.15 -0.00 0.00 2.35 -1.99 -1.16 115.58 114.94 1jfz h ASN 525 Ca -0.01 -0.49 0.03 0.00 -0.55 0.00 0.00 56.30 55.28 1jfz h ASN 525 Cb 1.13 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 39.43 1jfz h ASN 525 CO 0.08 0.61 -0.17 0.15 -1.65 0.00 0.00 177.43 176.45 1jfz h PHE 526 N -0.30 -0.44 -0.61 1.19 3.57 -1.97 0.69 116.94 119.07 1jfz h PHE 526 Ca 0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1jfz h PHE 526 Cb 0.57 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 1jfz h PHE 526 CO 0.09 -0.24 0.39 1.15 -2.23 0.00 0.00 178.31 177.47 1jfz h THR 527 N -0.28 1.17 -0.48 4.41 2.02 -1.46 0.19 112.91 118.48 1jfz h THR 527 Ca 0.05 -0.33 0.03 0.00 0.77 0.00 0.00 66.41 66.94 1jfz h THR 527 Cb 0.34 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 1jfz h THR 527 CO -0.16 0.16 0.27 -0.09 0.37 0.00 0.00 175.52 176.07 1jfz h ARG 528 N 0.83 0.52 -0.07 6.66 2.43 -1.00 -0.06 114.38 123.69 1jfz h ARG 528 Ca 0.22 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.26 1jfz h ARG 528 Cb -0.07 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 1jfz h ARG 528 CO -0.05 0.34 -0.41 0.93 -1.51 0.00 0.00 179.97 179.27 1jfz h GLU 529 N 0.53 0.14 0.18 0.20 4.39 0.00 -0.63 114.58 119.39 1jfz h GLU 529 Ca 0.20 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 1jfz h GLU 529 Cb 0.06 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1jfz h GLU 529 CO -0.11 0.54 -0.08 1.25 -1.16 0.00 0.00 179.01 179.44 1jfz h LEU 530 N 0.12 -0.20 -0.85 1.33 5.85 -0.27 -0.90 115.31 120.39 1jfz h LEU 530 Ca 0.01 -0.15 0.16 0.00 0.84 0.00 0.00 57.88 58.73 1jfz h LEU 530 Cb 0.79 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.77 1jfz h LEU 530 CO 0.06 0.04 0.43 0.15 -0.34 0.00 0.00 178.44 178.78 1jfz h PHE 531 N -0.44 0.74 -0.24 1.25 3.57 -0.84 -2.04 116.94 118.94 1jfz h PHE 531 Ca -0.02 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 1jfz h PHE 531 Cb 0.34 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 1jfz h PHE 531 CO -0.00 0.15 -0.28 1.88 -2.23 0.00 0.00 178.31 177.82 1jfz h TYR 532 N 0.59 0.75 -0.74 0.41 0.05 -1.03 -1.01 116.97 115.98 1jfz h TYR 532 Ca 0.47 -0.24 0.15 0.00 0.05 0.00 0.00 58.73 59.17 1jfz h TYR 532 Cb 0.71 -0.15 -0.10 0.00 1.01 0.00 0.00 36.73 38.19 1jfz h TYR 532 CO -0.10 0.96 0.23 -0.22 -1.05 0.00 0.00 178.16 177.98 1jfz h LYS 533 N 0.32 0.32 0.10 4.88 3.64 -0.50 0.78 116.57 126.11 1jfz h LYS 533 Ca 0.03 -0.02 -0.25 0.00 -1.27 0.00 0.00 60.65 59.14 1jfz h LYS 533 Cb 0.85 -0.07 0.03 0.00 -0.41 0.00 0.00 32.23 32.63 1jfz h LYS 533 CO 0.07 0.21 -1.05 -0.07 -2.27 0.00 0.00 179.45 176.34 1jfz h LEU 534 N 0.33 0.76 -0.78 5.20 3.38 -1.34 -3.42 115.31 119.44 1jfz h LEU 534 Ca 0.42 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1jfz h LEU 534 Cb 0.69 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1jfz h LEU 534 CO -0.47 1.51 0.00 0.49 0.09 0.00 0.00 178.44 180.06 1jfz n PHE 535 N -3.93 0.00 0.14 1.13 3.72 -0.39 -4.79 117.46 113.35 1jfz n PHE 535 Ca -0.13 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.13 1jfz n PHE 535 Cb 0.90 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.37 1jfz n PHE 535 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1jfz h LYS 536 N 0.00 -0.61 -0.89 -1.08 3.64 0.41 -0.22 116.57 117.82 1jfz h LYS 536 Ca 0.00 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.55 1jfz h LYS 536 Cb 0.04 0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 31.93 1jfz h LYS 536 CO 0.00 -0.41 0.57 1.49 -2.27 0.00 0.00 179.45 178.84 1jfz h GLU 537 N -0.63 0.73 -0.28 1.90 4.81 -1.87 0.13 114.58 119.36 1jfz h GLU 537 Ca 0.02 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.06 1jfz h GLU 537 Cb 0.64 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1jfz h GLU 537 CO -0.18 0.48 -0.40 -0.44 -0.73 0.00 0.00 179.01 177.74 1jfz h ASP 538 N 0.75 0.71 0.21 1.04 5.19 -1.66 -2.49 116.42 120.18 1jfz h ASP 538 Ca 0.44 -0.32 -0.27 0.00 -0.62 0.00 0.00 57.03 56.26 1jfz h ASP 538 Cb 0.63 -0.20 0.02 0.00 0.18 0.00 0.00 39.33 39.96 1jfz h ASP 538 CO -0.20 1.03 -1.11 0.40 -3.12 0.00 0.00 179.24 176.24 1jfz h ILE 539 N 0.55 1.34 -0.28 0.35 2.04 0.33 -3.12 117.51 118.72 1jfz h ILE 539 Ca 0.05 -2.47 -0.04 0.00 1.00 0.00 0.00 64.86 63.40 1jfz h ILE 539 Cb 0.92 2.56 -0.02 0.00 -0.74 0.00 0.00 36.82 39.55 1jfz h ILE 539 CO 0.08 0.75 -0.01 -0.07 0.00 0.00 0.00 178.15 178.90 1jfz h LEU 540 N 0.27 0.39 -0.40 1.44 3.38 -0.80 -1.53 115.31 118.07 1jfz h LEU 540 Ca -0.14 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1jfz h LEU 540 Cb 1.77 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.40 1jfz h LEU 540 CO 0.21 0.47 0.22 0.77 0.09 0.00 0.00 178.44 180.19 1jfz h SER 541 N 0.41 0.50 -0.55 -0.43 4.64 -1.45 -1.28 113.55 115.39 1jfz h SER 541 Ca 0.09 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1jfz h SER 541 Cb 0.29 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 1jfz h SER 541 CO 0.01 0.44 0.30 0.00 -0.87 0.00 0.00 176.83 176.71 1jfz h ALA 542 N 1.08 1.45 0.00 5.18 0.00 -1.38 -0.49 119.26 125.10 1jfz h ALA 542 Ca 0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1jfz h ALA 542 Cb 0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1jfz h ALA 542 CO -0.02 0.45 -0.15 0.82 0.00 0.00 0.00 179.25 180.35 1jfz h ILE 543 N 0.80 0.45 0.17 0.00 2.04 -0.53 0.15 117.51 120.59 1jfz h ILE 543 Ca 0.20 -0.78 -0.34 0.00 1.00 0.00 0.00 64.86 64.94 1jfz h ILE 543 Cb 0.04 1.55 0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1jfz h ILE 543 CO -0.03 0.14 -1.73 0.11 0.00 0.00 0.00 178.15 176.64 1jfz h LYS 544 N 0.00 0.36 0.00 2.37 1.79 -0.01 -3.35 116.57 117.73 1jfz h LYS 544 Ca -0.00 -0.62 -0.03 0.00 -2.18 0.00 0.00 60.65 57.81 1jfz h LYS 544 Cb 0.54 0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.41 1jfz h LYS 544 CO 0.02 1.30 -0.55 0.93 -1.08 0.00 0.00 179.45 180.07 1jfz h GLU 545 N 0.04 0.00 -0.88 3.15 3.07 -1.25 -3.40 114.58 115.32 1jfz h GLU 545 Ca -0.35 0.00 0.18 0.00 -0.50 0.00 0.00 59.36 58.69 1jfz h GLU 545 Cb 2.05 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 29.89 1jfz h GLU 545 CO 0.15 0.17 0.57 0.78 -1.40 0.00 0.00 179.01 179.29 1jfz h GLY 546 N -1.00 0.97 -5.01 -3.84 0.00 -1.18 -3.44 103.07 89.56 1jfz h GLY 546 Ca -0.05 -0.22 -0.67 0.00 0.00 0.00 0.00 47.33 46.39 1jfz h GLY 546 CO -0.03 0.03 -0.16 -0.96 0.00 0.00 0.00 176.54 175.41 1jfz n ARG 547 N -4.53 0.52 -0.71 4.80 -4.01 -1.23 -5.05 116.66 106.44 1jfz n ARG 547 Ca 0.18 0.18 0.00 0.00 -1.04 0.00 0.00 57.85 57.17 1jfz n ARG 547 Cb 0.60 -1.42 0.00 0.00 -3.04 0.00 0.00 32.46 28.60 1jfz n ARG 547 CO 0.00 0.00 0.00 0.72 -3.04 0.00 0.00 177.63 175.31