#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1i h HIS 405 N 0.00 0.66 0.18 0.66 -0.00 -2.05 0.40 115.15 115.02 3f1i h HIS 405 Ca 0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 3f1i h HIS 405 Cb 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 27.21 3f1i h HIS 405 CO 0.00 0.31 -0.09 0.93 -0.00 0.00 0.00 177.93 179.08 3f1i h GLU 406 N 0.66 -0.24 -0.32 2.45 5.08 -2.05 0.14 114.58 120.30 3f1i h GLU 406 Ca 0.30 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.75 3f1i h GLU 406 Cb 0.21 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.43 3f1i h GLU 406 CO -0.19 -0.06 -0.30 0.37 -1.00 0.00 0.00 179.01 177.83 3f1i h GLN 407 N -0.37 -0.26 -0.44 2.33 4.15 -1.97 -0.59 115.11 117.96 3f1i h GLN 407 Ca -0.03 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.47 3f1i h GLN 407 Cb 0.29 0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.99 3f1i h GLN 407 CO 0.04 -0.18 0.14 0.35 -1.93 0.00 0.00 178.83 177.25 3f1i h PHE 408 N -0.27 0.24 -0.10 3.99 3.57 -0.01 -1.85 116.94 122.52 3f1i h PHE 408 Ca 0.15 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3f1i h PHE 408 Cb 0.52 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 3f1i h PHE 408 CO -0.48 0.07 0.03 -0.07 -2.23 0.00 0.00 178.31 175.63 3f1i h LEU 409 N 0.29 0.14 -0.76 0.59 3.38 0.07 -0.93 115.31 118.08 3f1i h LEU 409 Ca 0.21 -0.22 0.14 0.00 0.09 0.00 0.00 57.88 58.10 3f1i h LEU 409 Cb 0.22 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 40.84 3f1i h LEU 409 CO -0.23 0.32 0.32 0.11 0.09 0.00 0.00 178.44 179.06 3f1i h LYS 410 N -0.05 0.47 -0.52 1.13 1.57 -1.07 0.92 116.57 119.03 3f1i h LYS 410 Ca 0.03 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 3f1i h LYS 410 Cb 0.23 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3f1i h LYS 410 CO -0.00 0.31 -0.12 0.00 -0.57 0.00 0.00 179.45 179.07 3f1i h ALA 411 N 1.54 0.71 -0.19 3.86 0.00 -0.93 0.11 119.26 124.35 3f1i h ALA 411 Ca 0.42 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3f1i h ALA 411 Cb 0.61 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3f1i h ALA 411 CO -0.38 0.63 -0.01 1.25 0.00 0.00 0.00 179.25 180.73 3f1i h LEU 412 N 0.86 0.34 -0.60 0.00 5.85 -0.85 -1.09 115.31 119.81 3f1i h LEU 412 Ca 0.13 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.58 3f1i h LEU 412 Cb 0.68 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.57 3f1i h LEU 412 CO 0.05 0.59 0.31 -0.61 -0.34 0.00 0.00 178.44 178.44 3f1i h GLN 413 N 0.09 0.56 -0.46 1.25 4.15 -0.53 -1.67 115.11 118.50 3f1i h GLN 413 Ca 0.05 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 3f1i h GLN 413 Cb 0.42 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 3f1i h GLN 413 CO 0.01 0.37 0.19 -0.91 -1.93 0.00 0.00 178.83 176.57 3f1i h ASN 414 N 0.58 0.62 -0.78 -0.69 2.35 -0.73 -2.17 115.58 114.76 3f1i h ASN 414 Ca 0.28 -0.16 0.02 0.00 -0.55 0.00 0.00 56.30 55.88 3f1i h ASN 414 Cb 0.20 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.37 3f1i h ASN 414 CO -0.19 0.61 0.51 0.00 -1.65 0.00 0.00 177.43 176.71 3f1i h ALA 415 N 1.04 1.00 -0.44 -0.83 0.00 -1.05 0.12 119.26 119.11 3f1i h ALA 415 Ca 0.15 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 3f1i h ALA 415 Cb 0.17 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3f1i h ALA 415 CO -0.01 0.37 -0.28 0.28 0.00 0.00 0.00 179.25 179.60 3f1i h VAL 416 N 1.03 1.27 -0.23 0.00 2.07 -1.22 0.46 116.25 119.63 3f1i h VAL 416 Ca 0.30 -1.45 -0.05 0.00 0.82 0.00 0.00 66.70 66.32 3f1i h VAL 416 Cb -0.07 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3f1i h VAL 416 CO -0.08 0.49 -0.04 0.74 0.02 0.00 0.00 177.57 178.70 3f1i h THR 417 N 0.80 1.28 -0.77 2.57 2.02 -1.23 -1.02 112.91 116.55 3f1i h THR 417 Ca 0.09 -1.00 0.01 0.00 0.77 0.00 0.00 66.41 66.28 3f1i h THR 417 Cb 0.87 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 68.71 3f1i h THR 417 CO 0.08 0.31 0.51 0.74 0.37 0.00 0.00 175.52 177.52 3f1i h THR 418 N 0.17 1.18 0.37 3.16 2.02 -0.92 -0.49 112.91 118.40 3f1i h THR 418 Ca 0.06 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 3f1i h THR 418 Cb 0.48 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 3f1i h THR 418 CO 0.02 0.19 -0.18 0.15 0.37 0.00 0.00 175.52 176.07 3f1i h PHE 419 N 1.02 -0.46 -0.08 3.16 3.57 -0.66 0.14 116.94 123.64 3f1i h PHE 419 Ca 0.29 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 3f1i h PHE 419 Cb -0.09 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 3f1i h PHE 419 CO -0.02 -0.22 0.02 0.28 -2.23 0.00 0.00 178.31 176.14 3f1i h VAL 420 N -0.59 1.17 -1.00 1.41 2.07 -1.19 -1.85 116.25 116.28 3f1i h VAL 420 Ca -0.05 -0.52 0.09 0.00 0.82 0.00 0.00 66.70 67.04 3f1i h VAL 420 Cb 0.44 1.38 -0.07 0.00 -1.52 0.00 0.00 31.29 31.51 3f1i h VAL 420 CO 0.08 0.15 0.64 -1.13 0.02 0.00 0.00 177.57 177.33 3f1i h ASN 421 N -0.07 0.99 0.25 0.57 -1.24 -1.01 -1.44 115.58 113.64 3f1i h ASN 421 Ca 0.03 0.02 -0.13 0.00 0.71 0.00 0.00 56.30 56.93 3f1i h ASN 421 Cb 0.21 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 3f1i h ASN 421 CO -0.00 0.59 -0.51 -0.09 -1.29 0.00 0.00 177.43 176.14 3f1i h ARG 422 N 1.10 0.29 -0.33 6.67 2.43 -0.82 0.19 114.38 123.91 3f1i h ARG 422 Ca 0.45 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 59.42 3f1i h ARG 422 Cb 0.29 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3f1i h ARG 422 CO -0.20 0.73 0.05 0.52 -1.51 0.00 0.00 179.97 179.56 3f1i h MET 423 N 0.23 0.55 0.21 0.20 2.86 -0.79 -1.76 114.93 116.44 3f1i h MET 423 Ca 0.01 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 3f1i h MET 423 Cb 0.97 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.57 3f1i h MET 423 CO 0.08 0.64 -0.10 0.87 1.06 0.00 0.00 176.91 179.45 3f1i h LYS 424 N 0.38 -0.27 -0.25 1.72 1.57 -1.06 -1.65 116.57 117.00 3f1i h LYS 424 Ca 0.10 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.96 3f1i h LYS 424 Cb 0.35 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.65 3f1i h LYS 424 CO 0.01 -0.17 -0.26 1.03 -0.57 0.00 0.00 179.45 179.49 3f1i h SER 425 N -0.30 -0.83 -0.17 0.86 0.87 -0.59 0.38 113.55 113.77 3f1i h SER 425 Ca -0.03 0.15 0.04 0.00 -1.23 0.00 0.00 61.79 60.72 3f1i h SER 425 Cb 0.23 0.39 -0.04 0.00 -0.44 0.00 0.00 62.40 62.54 3f1i h SER 425 CO 0.05 -0.29 -0.07 0.78 -0.53 0.00 0.00 176.83 176.77 3f1i h ASN 426 N -0.26 -0.23 -0.64 6.23 2.35 -1.28 -2.13 115.58 119.62 3f1i h ASN 426 Ca 0.14 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3f1i h ASN 426 Cb 0.48 0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.95 3f1i h ASN 426 CO -0.40 -0.09 0.42 -0.74 -1.65 0.00 0.00 177.43 174.96 3f1i h HIS 427 N -0.04 0.82 0.00 1.19 2.76 -0.95 -0.27 115.15 118.65 3f1i h HIS 427 Ca 0.09 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.27 3f1i h HIS 427 Cb 0.18 -0.27 -0.00 0.00 1.55 0.00 0.00 27.41 28.86 3f1i h HIS 427 CO -0.22 0.52 -0.02 0.52 -1.30 0.00 0.00 177.93 177.43 3f1i h MET 428 N 0.87 0.00 0.00 5.26 2.86 -0.76 -0.42 114.93 122.74 3f1i h MET 428 Ca 0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 3f1i h MET 428 Cb -0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.58 3f1i h MET 428 CO -0.05 0.02 0.00 0.00 1.06 0.00 0.00 176.91 177.94 3f1i h ARG 429 N 0.00 0.00 0.00 1.72 3.08 -0.75 -3.47 114.38 114.96 3f1i h ARG 429 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3f1i h ARG 429 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3f1i h ARG 429 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3f1i n GLY 430 N 0.83 0.75 3.68 0.04 0.00 -0.17 -5.07 105.19 105.25 3f1i n GLY 430 Ca 0.04 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 3f1i n GLY 430 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f1i s ARG 431 N -2.19 2.56 0.21 1.61 0.52 -0.17 -5.01 118.95 116.48 3f1i s ARG 431 Ca 0.00 -0.81 -0.30 0.00 -0.52 0.00 0.00 55.73 54.10 3f1i s ARG 431 Cb 0.00 -2.55 -0.08 0.00 0.52 0.00 0.00 34.95 32.84 3f1i s ARG 431 CO 0.00 0.55 1.16 0.45 0.02 0.00 0.00 175.30 177.48 3f1i s SER 432 N -2.20 7.16 0.56 0.23 0.15 -1.26 -3.64 113.70 114.70 3f1i s SER 432 Ca 0.25 2.22 0.34 0.00 0.70 0.00 0.00 55.95 59.46 3f1i s SER 432 Cb -0.12 -2.61 1.51 0.00 -1.71 0.00 0.00 66.02 63.09 3f1i s SER 432 CO 0.17 -0.29 2.04 0.16 1.20 0.00 0.00 173.24 176.53 3f1i h ILE 433 N 3.57 0.14 0.00 6.45 3.07 -1.92 -2.54 117.51 126.27 3f1i h ILE 433 Ca -0.45 -0.50 0.00 0.00 1.55 0.00 0.00 64.86 65.46 3f1i h ILE 433 Cb 1.21 1.43 0.00 0.00 -0.27 0.00 0.00 36.82 39.20 3f1i h ILE 433 CO 0.72 0.04 0.00 0.00 -1.05 0.00 0.00 178.15 177.86 3f1i h THR 434 N 0.00 0.00 0.00 0.16 1.03 -2.03 -1.58 112.91 110.50 3f1i h THR 434 Ca -0.00 -0.30 0.00 0.00 -0.01 0.00 0.00 66.41 66.10 3f1i h THR 434 Cb 0.43 1.18 0.00 0.00 -1.07 0.00 0.00 68.15 68.69 3f1i h THR 434 CO 0.01 0.00 0.00 0.78 -0.01 0.00 0.00 175.52 176.30 3f1i h ASN 435 N 0.00 0.00 -3.54 0.00 2.35 -1.86 -3.43 115.58 109.09 3f1i h ASN 435 Ca 0.00 0.00 -0.69 0.00 -0.55 0.00 0.00 56.30 55.06 3f1i h ASN 435 Cb 0.33 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 38.51 3f1i h ASN 435 CO 0.00 0.00 -0.23 -0.62 -1.65 0.00 0.00 177.43 174.93 3f1i s ASP 436 N -5.21 6.19 0.40 5.81 -1.08 -0.59 -4.94 116.67 117.25 3f1i s ASP 436 Ca 0.08 -0.67 0.21 0.00 -0.52 0.00 0.00 52.55 51.65 3f1i s ASP 436 Cb 0.09 -2.22 0.72 0.00 -1.46 0.00 0.00 42.92 40.05 3f1i s ASP 436 CO 0.60 -0.56 1.74 0.77 0.52 0.00 0.00 175.17 178.24 3f1i h SER 437 N 8.71 0.00 0.57 -0.34 4.64 -1.85 -2.58 113.55 122.71 3f1i h SER 437 Ca -0.27 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.97 3f1i h SER 437 Cb 1.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 3f1i h SER 437 CO 0.79 0.30 -0.39 0.00 -0.87 0.00 0.00 176.83 176.66 3f1i h ALA 438 N 1.70 1.17 -0.06 5.18 0.00 -1.94 -2.82 119.26 122.50 3f1i h ALA 438 Ca -0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 3f1i h ALA 438 Cb 0.89 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3f1i h ALA 438 CO 0.04 0.48 -0.25 0.28 0.00 0.00 0.00 179.25 179.80 3f1i h VAL 439 N 0.00 1.45 -0.65 0.00 2.07 -1.77 -1.98 116.25 115.37 3f1i h VAL 439 Ca -0.00 -1.69 0.04 0.00 0.82 0.00 0.00 66.70 65.87 3f1i h VAL 439 Cb 0.77 2.38 -0.05 0.00 -1.52 0.00 0.00 31.29 32.88 3f1i h VAL 439 CO 0.05 0.48 0.38 0.25 0.02 0.00 0.00 177.57 178.74 3f1i h LEU 440 N -0.26 0.58 0.00 2.57 5.85 -1.63 0.77 115.31 123.20 3f1i h LEU 440 Ca -0.02 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3f1i h LEU 440 Cb 0.91 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3f1i h LEU 440 CO 0.05 0.39 -0.07 -1.28 -0.34 0.00 0.00 178.44 177.20 3f1i h SER 441 N 0.72 -0.19 -0.82 1.25 0.87 -1.51 -1.47 113.55 112.40 3f1i h SER 441 Ca 0.28 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.86 3f1i h SER 441 Cb 0.11 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.11 3f1i h SER 441 CO -0.15 -0.10 0.48 -0.07 -0.53 0.00 0.00 176.83 176.47 3f1i h LEU 442 N -0.12 0.99 -0.51 2.23 3.38 -1.03 -0.18 115.31 120.08 3f1i h LEU 442 Ca 0.03 -0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.01 3f1i h LEU 442 Cb 0.15 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.58 3f1i h LEU 442 CO -0.07 0.78 0.11 0.15 0.09 0.00 0.00 178.44 179.50 3f1i h PHE 443 N 1.13 0.17 -0.00 1.13 3.57 -0.56 -0.89 116.94 121.49 3f1i h PHE 443 Ca 0.29 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.82 3f1i h PHE 443 Cb -0.02 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 3f1i h PHE 443 CO -0.00 -0.00 0.00 0.37 -2.23 0.00 0.00 178.31 176.45 3f1i h GLN 444 N 0.24 0.00 -0.77 1.11 4.15 -0.69 -2.47 115.11 116.69 3f1i h GLN 444 Ca 0.25 -0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.73 3f1i h GLN 444 Cb 0.34 -0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.97 3f1i h GLN 444 CO -0.33 0.03 0.46 0.77 -1.93 0.00 0.00 178.83 177.83 3f1i h SER 445 N -0.02 0.71 -0.28 -0.69 0.02 -0.66 -2.04 113.55 110.59 3f1i h SER 445 Ca 0.00 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.88 3f1i h SER 445 Cb 0.02 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3f1i h SER 445 CO -0.00 0.45 -0.19 0.40 -1.14 0.00 0.00 176.83 176.35 3f1i h ILE 446 N 0.84 1.30 -0.96 3.27 2.04 -1.10 -0.71 117.51 122.19 3f1i h ILE 446 Ca 0.34 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.88 3f1i h ILE 446 Cb 0.18 1.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 3f1i h ILE 446 CO -0.18 0.42 0.60 0.78 0.00 0.00 0.00 178.15 179.78 3f1i h ASN 447 N 0.36 1.13 -0.76 1.72 -0.26 -1.33 0.40 115.58 116.84 3f1i h ASN 447 Ca 0.06 -0.05 -0.05 0.00 -0.56 0.00 0.00 56.30 55.69 3f1i h ASN 447 Cb 0.73 -0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 37.68 3f1i h ASN 447 CO 0.05 0.85 0.26 1.23 -1.06 0.00 0.00 177.43 178.76 3f1i h GLY 448 N 1.32 1.26 2.00 2.83 0.00 -1.17 -3.15 103.07 106.16 3f1i h GLY 448 Ca 0.35 -0.72 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 3f1i h GLY 448 CO -0.07 0.68 -0.14 -0.33 0.00 0.00 0.00 176.54 176.67 3f1i h MET 449 N 1.13 0.00 -0.26 4.80 2.86 -0.42 -3.39 114.93 119.65 3f1i h MET 449 Ca 0.25 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.91 3f1i h MET 449 Cb 0.28 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 3f1i h MET 449 CO -0.01 0.14 0.12 1.25 1.06 0.00 0.00 176.91 179.47 3f1i h HIS 450 N 0.00 0.22 -0.96 -0.22 6.17 -0.90 -2.26 115.15 117.20 3f1i h HIS 450 Ca -0.00 0.01 0.15 0.00 0.71 0.00 0.00 60.37 61.24 3f1i h HIS 450 Cb 1.07 -0.06 -0.08 0.00 2.52 0.00 0.00 27.41 30.86 3f1i h HIS 450 CO 0.00 0.12 0.61 -1.35 0.71 0.00 0.00 177.93 178.02 3f1i h PRO 451 N 0.26 0.77 -0.03 5.26 0.11 -1.76 -0.10 132.00 136.50 3f1i h PRO 451 Ca 0.11 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 3f1i h PRO 451 Cb 0.04 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 3f1i h PRO 451 CO -0.08 0.51 -0.31 0.37 -0.21 0.00 0.00 178.00 178.27 3f1i h GLN 452 N 0.79 0.06 -0.33 1.05 4.15 -1.68 -0.15 115.11 119.00 3f1i h GLN 452 Ca 0.50 -0.02 -0.17 0.00 0.77 0.00 0.00 58.65 59.73 3f1i h GLN 452 Cb 0.73 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.41 3f1i h GLN 452 CO -0.27 0.37 -0.45 1.25 -1.93 0.00 0.00 178.83 177.80 3f1i h LEU 453 N 0.06 0.95 -0.60 -2.39 5.85 -0.88 -2.39 115.31 115.91 3f1i h LEU 453 Ca 0.01 -0.47 -0.09 0.00 0.84 0.00 0.00 57.88 58.17 3f1i h LEU 453 Cb 0.59 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3f1i h LEU 453 CO 0.04 1.26 0.03 -0.07 -0.34 0.00 0.00 178.44 179.36 3f1i h LEU 454 N 0.70 1.02 -0.47 2.25 3.38 -0.96 -0.90 115.31 120.33 3f1i h LEU 454 Ca 0.04 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 57.79 3f1i h LEU 454 Cb 1.05 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 3f1i h LEU 454 CO 0.10 1.06 0.09 -0.33 0.09 0.00 0.00 178.44 179.46 3f1i h GLU 455 N 0.95 0.22 -0.46 1.13 5.08 -0.91 -0.03 114.58 120.56 3f1i h GLU 455 Ca 0.17 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.38 3f1i h GLU 455 Cb 0.53 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3f1i h GLU 455 CO 0.03 0.14 -0.25 -0.07 -1.00 0.00 0.00 179.01 177.86 3f1i h LEU 456 N 0.23 1.00 -0.84 1.33 3.38 -1.30 -0.81 115.31 118.30 3f1i h LEU 456 Ca 0.23 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.82 3f1i h LEU 456 Cb 0.30 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 3f1i h LEU 456 CO -0.30 1.19 0.55 -0.07 0.09 0.00 0.00 178.44 179.89 3f1i h LEU 457 N 0.83 0.93 -0.91 1.67 3.38 -0.89 -1.82 115.31 118.50 3f1i h LEU 457 Ca 0.10 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 3f1i h LEU 457 Cb 0.83 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3f1i h LEU 457 CO 0.07 0.66 -0.13 -1.13 0.09 0.00 0.00 178.44 178.00 3f1i h ASN 458 N 1.09 0.64 0.19 -0.43 -1.24 -0.47 -1.94 115.58 113.43 3f1i h ASN 458 Ca 0.32 -0.19 -0.11 0.00 0.71 0.00 0.00 56.30 57.04 3f1i h ASN 458 Cb -0.07 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 38.80 3f1i h ASN 458 CO -0.09 0.80 -0.39 1.56 -1.29 0.00 0.00 177.43 178.02 3f1i h GLN 459 N 0.59 0.27 -0.58 6.67 1.08 -0.87 -0.61 115.11 121.67 3f1i h GLN 459 Ca 0.10 -0.12 -0.10 0.00 -1.45 0.00 0.00 58.65 57.08 3f1i h GLN 459 Cb 0.57 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.98 3f1i h GLN 459 CO 0.04 0.62 -0.01 -0.07 -0.95 0.00 0.00 178.83 178.46 3f1i h LEU 460 N 0.23 1.01 -0.77 1.46 3.38 -1.10 -1.19 115.31 118.33 3f1i h LEU 460 Ca 0.02 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.71 3f1i h LEU 460 Cb 0.79 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 3f1i h LEU 460 CO 0.06 1.08 0.50 0.44 0.09 0.00 0.00 178.44 180.61 3f1i h ASP 461 N 0.92 0.84 -0.50 -0.43 3.45 -0.90 -1.11 116.42 118.69 3f1i h ASP 461 Ca 0.16 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.61 3f1i h ASP 461 Cb 0.56 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 39.11 3f1i h ASP 461 CO 0.03 0.59 0.29 -0.33 -1.57 0.00 0.00 179.24 178.26 3f1i h GLU 462 N 0.99 0.69 -0.60 3.56 5.08 -0.79 0.27 114.58 123.78 3f1i h GLU 462 Ca 0.30 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.52 3f1i h GLU 462 Cb -0.03 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 3f1i h GLU 462 CO -0.09 0.52 0.08 0.00 -1.00 0.00 0.00 179.01 178.51 3f1i h ARG 463 N 0.67 1.00 0.06 2.33 2.47 -1.03 -0.53 114.38 119.35 3f1i h ARG 463 Ca 0.18 -0.28 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 3f1i h ARG 463 Cb 0.01 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.22 3f1i h ARG 463 CO -0.03 0.95 -0.04 -0.09 0.56 0.00 0.00 179.97 181.31 3f1i h ARG 464 N 0.90 -0.10 -0.98 0.04 2.43 -0.96 -2.36 114.38 113.34 3f1i h ARG 464 Ca 0.18 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.37 3f1i h ARG 464 Cb 0.45 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.97 3f1i h ARG 464 CO 0.02 -0.07 0.65 -0.07 -1.51 0.00 0.00 179.97 178.99 3f1i h LEU 465 N -0.11 1.13 0.18 3.80 3.38 -0.70 -0.60 115.31 122.39 3f1i h LEU 465 Ca -0.00 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3f1i h LEU 465 Cb 0.10 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3f1i h LEU 465 CO -0.01 0.81 -0.35 0.22 0.09 0.00 0.00 178.44 179.21 3f1i h TYR 466 N 1.33 -0.95 -0.01 1.13 3.20 -0.95 -1.54 116.97 119.19 3f1i h TYR 466 Ca 0.36 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.15 3f1i h TYR 466 Cb -0.15 0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3f1i h TYR 466 CO -0.00 -0.46 -0.45 1.88 -1.64 0.00 0.00 178.16 177.49 3f1i h TYR 467 N -0.62 0.02 -0.49 -3.82 0.05 -1.09 -2.59 116.97 108.43 3f1i h TYR 467 Ca 0.01 -0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.69 3f1i h TYR 467 Cb 0.62 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.34 3f1i h TYR 467 CO -0.28 0.46 -0.09 0.93 -1.05 0.00 0.00 178.16 178.13 3f1i h GLU 468 N 0.01 0.89 -0.93 4.88 5.08 -0.98 0.73 114.58 124.25 3f1i h GLU 468 Ca -0.00 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3f1i h GLU 468 Cb 0.80 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.93 3f1i h GLU 468 CO 0.06 0.94 0.57 0.78 -1.00 0.00 0.00 179.01 180.36 3f1i h GLY 469 N 0.97 1.35 1.00 -3.84 0.00 -1.00 -0.46 103.07 101.10 3f1i h GLY 469 Ca 0.13 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 3f1i h GLY 469 CO 0.04 0.54 -0.10 1.41 0.00 0.00 0.00 176.54 178.43 3f1i h LEU 470 N 1.29 0.83 -1.19 3.11 3.38 -1.03 -1.59 115.31 120.10 3f1i h LEU 470 Ca 0.34 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 58.00 3f1i h LEU 470 Cb -0.06 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.41 3f1i h LEU 470 CO -0.06 1.00 0.56 -0.61 0.09 0.00 0.00 178.44 179.42 3f1i h GLN 471 N 0.65 0.98 -0.40 1.13 4.15 -0.47 -1.12 115.11 120.04 3f1i h GLN 471 Ca 0.11 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.36 3f1i h GLN 471 Cb 0.63 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 3f1i h GLN 471 CO 0.04 0.65 -0.19 -0.44 -1.93 0.00 0.00 178.83 176.96 3f1i h ASP 472 N 1.01 0.78 -0.65 -0.69 3.32 -0.82 -1.40 116.42 117.98 3f1i h ASP 472 Ca 0.36 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3f1i h ASP 472 Cb 0.13 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3f1i h ASP 472 CO -0.12 0.97 0.38 0.11 -1.72 0.00 0.00 179.24 178.85 3f1i h LYS 473 N 0.68 0.89 -0.46 3.56 1.79 -0.80 -1.93 116.57 120.29 3f1i h LYS 473 Ca 0.10 -0.09 -0.03 0.00 -2.18 0.00 0.00 60.65 58.46 3f1i h LYS 473 Cb 0.70 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 31.14 3f1i h LYS 473 CO 0.05 0.65 0.18 -0.07 -1.08 0.00 0.00 179.45 179.18 3f1i h LEU 474 N 0.88 0.60 -0.53 2.94 3.38 -0.95 -1.23 115.31 120.40 3f1i h LEU 474 Ca 0.23 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 3f1i h LEU 474 Cb -0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3f1i h LEU 474 CO -0.04 0.55 -0.12 0.00 0.09 0.00 0.00 178.44 178.92 3f1i h ALA 475 N 1.54 0.73 -0.72 1.53 0.00 -0.88 -0.77 119.26 120.70 3f1i h ALA 475 Ca 0.16 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3f1i h ALA 475 Cb 0.14 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3f1i h ALA 475 CO -0.01 0.65 0.23 1.96 0.00 0.00 0.00 179.25 182.08 3f1i h GLN 476 N 0.90 1.12 -0.21 0.00 4.20 -1.03 -1.18 115.11 118.90 3f1i h GLN 476 Ca 0.14 -0.24 0.01 0.00 0.06 0.00 0.00 58.65 58.62 3f1i h GLN 476 Cb 0.69 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 3f1i h GLN 476 CO 0.05 0.96 0.10 0.82 -0.67 0.00 0.00 178.83 180.09 3f1i h ILE 477 N 1.07 0.99 -0.59 2.54 2.04 -0.97 -0.71 117.51 121.89 3f1i h ILE 477 Ca 0.23 -0.08 0.10 0.00 1.00 0.00 0.00 64.86 66.12 3f1i h ILE 477 Cb 0.30 0.75 -0.08 0.00 -0.74 0.00 0.00 36.82 37.05 3f1i h ILE 477 CO -0.01 0.04 0.15 -0.09 0.00 0.00 0.00 178.15 178.24 3f1i h ARG 478 N 0.22 0.28 -0.14 2.37 2.43 -0.74 -1.01 114.38 117.80 3f1i h ARG 478 Ca 0.09 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.10 3f1i h ARG 478 Cb 0.02 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3f1i h ARG 478 CO -0.06 0.19 -0.50 -0.44 -1.51 0.00 0.00 179.97 177.65 3f1i h ASP 479 N 0.29 0.40 -0.20 -3.80 3.32 -0.84 0.18 116.42 115.77 3f1i h ASP 479 Ca 0.30 -0.20 -0.14 0.00 0.02 0.00 0.00 57.03 57.02 3f1i h ASP 479 Cb 0.43 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3f1i h ASP 479 CO -0.37 0.83 -0.37 0.00 -1.72 0.00 0.00 179.24 177.62 3f1i h ALA 480 N 1.18 0.76 -0.28 3.45 0.00 -0.76 -0.11 119.26 123.50 3f1i h ALA 480 Ca 0.01 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 3f1i h ALA 480 Cb 0.98 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3f1i h ALA 480 CO 0.08 0.65 -0.21 -0.09 0.00 0.00 0.00 179.25 179.69 3f1i h ARG 481 N 0.60 0.65 -0.60 0.00 9.65 -0.99 -2.40 114.38 121.29 3f1i h ARG 481 Ca 0.06 -0.31 0.03 0.00 -1.10 0.00 0.00 59.98 58.66 3f1i h ARG 481 Cb 0.90 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.44 3f1i h ARG 481 CO 0.08 0.91 0.36 0.78 2.80 0.00 0.00 179.97 184.90 3f1i h GLY 482 N 0.38 0.86 0.95 2.80 0.00 -0.89 -1.72 103.07 105.45 3f1i h GLY 482 Ca 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3f1i h GLY 482 CO 0.06 0.22 0.14 0.00 0.00 0.00 0.00 176.54 176.95 3f1i h ALA 483 N 1.27 0.34 -0.73 3.60 0.00 -1.00 -0.90 119.26 121.83 3f1i h ALA 483 Ca 0.25 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3f1i h ALA 483 Cb 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3f1i h ALA 483 CO -0.11 -0.13 0.39 1.25 0.00 0.00 0.00 179.25 180.64 3f1i h LEU 484 N 0.31 0.93 -0.27 0.00 5.85 -1.24 -1.05 115.31 119.83 3f1i h LEU 484 Ca 0.09 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3f1i h LEU 484 Cb 0.07 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 3f1i h LEU 484 CO -0.01 0.77 0.10 0.28 -0.34 0.00 0.00 178.44 179.24 3f1i h SER 485 N 1.02 0.39 -0.86 1.25 0.02 -0.98 -0.85 113.55 113.54 3f1i h SER 485 Ca 0.26 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 3f1i h SER 485 Cb 0.06 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 3f1i h SER 485 CO -0.04 0.46 0.43 0.00 -1.14 0.00 0.00 176.83 176.53 3f1i h ALA 486 N 0.94 1.10 -0.02 3.77 0.00 -0.97 -0.23 119.26 123.84 3f1i h ALA 486 Ca 0.09 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 3f1i h ALA 486 Cb 0.20 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3f1i h ALA 486 CO -0.01 0.65 -0.81 -0.07 0.00 0.00 0.00 179.25 179.02 3f1i h LEU 487 N 1.21 0.33 -0.44 0.00 3.38 -1.16 -0.88 115.31 117.75 3f1i h LEU 487 Ca 0.30 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3f1i h LEU 487 Cb 0.10 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3f1i h LEU 487 CO -0.04 1.00 0.16 0.03 0.09 0.00 0.00 178.44 179.68 3f1i h ARG 488 N 0.16 0.66 -0.60 1.13 3.08 -0.91 -0.35 114.38 117.55 3f1i h ARG 488 Ca -0.04 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.88 3f1i h ARG 488 Cb 1.40 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.32 3f1i h ARG 488 CO 0.13 0.62 0.38 1.49 -1.07 0.00 0.00 179.97 181.52 3f1i h GLU 489 N 0.56 0.80 -0.73 0.04 4.57 -0.82 -1.41 114.58 117.59 3f1i h GLU 489 Ca 0.14 -0.06 0.04 0.00 -1.18 0.00 0.00 59.36 58.30 3f1i h GLU 489 Cb 0.22 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 28.59 3f1i h GLU 489 CO -0.01 0.56 0.45 1.49 -1.18 0.00 0.00 179.01 180.32 3f1i h GLU 490 N 0.81 0.84 -0.63 1.92 4.81 -0.89 0.17 114.58 121.61 3f1i h GLU 490 Ca 0.22 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 3f1i h GLU 490 Cb -0.05 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.09 3f1i h GLU 490 CO -0.04 0.56 0.38 1.25 -0.73 0.00 0.00 179.01 180.42 3f1i h HIS 491 N 0.87 0.71 -0.39 0.92 2.76 -0.52 -2.07 115.15 117.42 3f1i h HIS 491 Ca 0.30 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.36 3f1i h HIS 491 Cb 0.06 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.78 3f1i h HIS 491 CO -0.04 0.39 -0.30 0.00 -1.30 0.00 0.00 177.93 176.68 3f1i h ARG 492 N 0.74 0.86 -0.27 5.26 3.08 -0.40 -2.02 114.38 121.62 3f1i h ARG 492 Ca 0.26 -0.39 0.06 0.00 0.07 0.00 0.00 59.98 59.97 3f1i h ARG 492 Cb 0.05 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.03 3f1i h ARG 492 CO -0.12 1.04 -0.14 0.93 -1.07 0.00 0.00 179.97 180.61 3f1i h GLU 493 N 0.73 -0.10 -0.85 0.04 5.08 -0.75 -2.02 114.58 116.70 3f1i h GLU 493 Ca 0.08 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3f1i h GLU 493 Cb 0.85 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 3f1i h GLU 493 CO 0.07 -0.07 0.53 0.87 -1.00 0.00 0.00 179.01 179.41 3f1i h LYS 494 N -0.11 1.14 -0.49 2.33 1.57 -1.22 -1.21 116.57 118.59 3f1i h LYS 494 Ca 0.14 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3f1i h LYS 494 Cb 0.32 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3f1i h LYS 494 CO -0.33 0.79 0.13 -0.07 -0.57 0.00 0.00 179.45 179.40 3f1i h LEU 495 N 1.16 0.67 -0.47 2.94 3.38 -1.04 -0.37 115.31 121.58 3f1i h LEU 495 Ca 0.31 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 58.02 3f1i h LEU 495 Cb -0.07 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3f1i h LEU 495 CO -0.06 0.66 -0.40 0.03 0.09 0.00 0.00 178.44 178.76 3f1i h ARG 496 N 0.71 0.83 -0.13 1.13 3.08 -0.93 -2.33 114.38 116.73 3f1i h ARG 496 Ca 0.16 -0.43 -0.11 0.00 0.07 0.00 0.00 59.98 59.67 3f1i h ARG 496 Cb 0.24 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3f1i h ARG 496 CO -0.00 1.07 -0.40 -0.09 -1.07 0.00 0.00 179.97 179.48 3f1i h ARG 497 N 0.67 0.28 0.00 0.04 2.43 -0.81 -1.73 114.38 115.27 3f1i h ARG 497 Ca 0.05 -0.13 -0.18 0.00 -0.81 0.00 0.00 59.98 58.91 3f1i h ARG 497 Cb 0.97 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 3f1i h ARG 497 CO 0.09 0.64 -0.87 0.00 -1.51 0.00 0.00 179.97 178.32 3f1i h ALA 498 N 1.35 0.56 -0.04 2.80 0.00 -1.09 -3.11 119.26 119.73 3f1i h ALA 498 Ca 0.02 -0.79 -0.15 0.00 0.00 0.00 0.00 54.91 54.00 3f1i h ALA 498 Cb 0.81 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3f1i h ALA 498 CO 0.06 1.07 -0.65 0.00 0.00 0.00 0.00 179.25 179.74 3f1i h ALA 499 N 1.12 0.85 0.00 0.00 0.00 -1.19 -2.68 119.26 117.36 3f1i h ALA 499 Ca -0.01 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3f1i h ALA 499 Cb 1.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3f1i h ALA 499 CO 0.12 0.78 0.00 0.39 0.00 0.00 0.00 179.25 180.53 3f1i n GLU 500 N -3.81 0.00 0.00 0.00 1.02 -0.67 -5.10 120.64 112.07 3f1i n GLU 500 Ca -0.02 0.16 0.16 0.00 -0.02 0.00 0.00 57.16 57.43 3f1i n GLU 500 Cb 0.64 -1.50 0.88 0.00 -0.02 0.00 0.00 31.44 31.44 3f1i n GLU 500 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70