#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dpd s PRO 396 N 0.00 4.26 0.68 6.28 0.02 -1.26 -5.00 135.00 139.99 1dpd s PRO 396 Ca 0.00 2.22 -0.11 0.00 0.02 0.00 0.00 61.00 63.13 1dpd s PRO 396 Cb 0.00 -3.25 -0.00 0.00 0.02 0.00 0.00 34.50 31.27 1dpd s PRO 396 CO 0.00 -0.55 1.06 -1.25 -0.33 0.00 0.00 177.00 175.93 1dpd s PRO 397 N 1.31 3.04 -0.09 5.54 0.04 -1.26 -5.00 135.00 138.58 1dpd s PRO 397 Ca 0.68 0.93 -0.30 0.00 0.04 0.00 0.00 61.00 62.35 1dpd s PRO 397 Cb -0.40 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 1dpd s PRO 397 CO 0.31 -1.02 1.09 0.42 0.04 0.00 0.00 177.00 177.84 1dpd s ILE 398 N -3.06 4.55 0.13 0.56 -1.09 -1.26 -5.01 121.20 116.03 1dpd s ILE 398 Ca 0.58 1.85 -0.35 0.00 -2.23 0.00 0.00 60.65 60.50 1dpd s ILE 398 Cb -0.14 -4.19 -0.16 0.00 -1.58 0.00 0.00 42.46 36.40 1dpd s ILE 398 CO 0.55 -0.01 1.24 -2.65 -1.23 0.00 0.00 174.94 172.84 1dpd n PRO 399 N 5.15 1.14 -2.36 2.79 -0.02 -1.26 -4.99 135.00 135.44 1dpd n PRO 399 Ca 0.10 0.41 -0.37 0.00 -2.02 0.00 0.00 63.50 61.62 1dpd n PRO 399 Cb 0.48 -1.97 -0.02 0.00 -0.02 0.00 0.00 33.50 31.96 1dpd n PRO 399 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1dpd s PRO 400 N 0.03 3.94 0.07 0.52 0.04 -1.26 -5.06 135.00 133.29 1dpd s PRO 400 Ca 0.79 1.69 0.09 0.00 0.04 0.00 0.00 61.00 63.60 1dpd s PRO 400 Cb -0.91 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 31.12 1dpd s PRO 400 CO 0.50 -0.38 -0.23 0.08 0.04 0.00 0.00 177.00 177.01 1dpd s VAL 401 N -1.57 1.89 -0.80 -0.36 1.01 -1.26 -5.06 120.40 114.24 1dpd s VAL 401 Ca 0.61 -1.40 -0.22 0.00 0.00 0.00 0.00 61.98 60.97 1dpd s VAL 401 Cb -0.26 -1.65 0.09 0.00 0.00 0.00 0.00 36.38 34.55 1dpd s VAL 401 CO 0.33 0.18 1.10 -0.62 0.00 0.00 0.00 175.10 176.08 1dpd s ASP 402 N -1.47 6.37 0.57 3.32 -1.08 -1.26 -4.86 116.67 118.26 1dpd s ASP 402 Ca 0.09 -1.38 0.36 0.00 -0.52 0.00 0.00 52.55 51.10 1dpd s ASP 402 Cb -0.10 -2.44 1.58 0.00 -1.46 0.00 0.00 42.92 40.51 1dpd s ASP 402 CO 0.03 -1.34 2.07 -0.26 0.52 0.00 0.00 175.17 176.18 1dpd h PHE 403 N 9.37 0.00 0.00 -5.34 0.04 -1.97 -1.67 116.94 117.37 1dpd h PHE 403 Ca -0.08 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.69 1dpd h PHE 403 Cb 1.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.20 1dpd h PHE 403 CO 1.08 0.01 0.00 0.00 -0.60 0.00 0.00 178.31 178.80 1dpd n ALA 404 N -2.10 2.38 0.32 2.45 0.00 -1.26 -2.32 120.51 119.98 1dpd n ALA 404 Ca -0.00 -0.14 0.15 0.00 0.00 0.00 0.00 53.44 53.45 1dpd n ALA 404 Cb 0.26 -1.43 0.58 0.00 0.00 0.00 0.00 19.45 18.87 1dpd n ALA 404 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1dpd h LYS 405 N 0.00 0.00 0.00 0.00 1.57 -1.72 -3.23 116.57 113.19 1dpd h LYS 405 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1dpd h LYS 405 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1dpd h LYS 405 CO 0.00 0.00 -0.86 0.66 -0.57 0.00 0.00 179.45 178.68 1dpd n TYR 406 N -2.83 0.00 -3.63 -1.35 4.01 -0.98 -5.08 117.16 107.29 1dpd n TYR 406 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1dpd n TYR 406 Cb 0.31 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 1dpd n TYR 406 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1dpd n GLY 407 N 1.40 -0.97 3.75 2.72 0.00 -1.22 -5.12 105.19 105.75 1dpd n GLY 407 Ca 0.03 -1.27 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 1dpd n GLY 407 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dpd s GLU 408 N -2.00 4.64 0.25 1.61 0.41 -1.26 -4.31 118.70 118.04 1dpd s GLU 408 Ca 0.00 1.73 0.04 0.00 -0.41 0.00 0.00 54.97 56.33 1dpd s GLU 408 Cb 0.00 -3.24 -0.05 0.00 -1.78 0.00 0.00 34.13 29.05 1dpd s GLU 408 CO 0.00 0.18 0.01 0.96 -0.49 0.00 0.00 175.26 175.91 1dpd s ILE 409 N -0.71 1.11 -0.05 -1.63 -4.36 -1.26 -5.00 121.20 109.30 1dpd s ILE 409 Ca 0.46 -2.04 -0.06 0.00 -0.26 0.00 0.00 60.65 58.76 1dpd s ILE 409 Cb -0.30 -2.45 0.01 0.00 1.25 0.00 0.00 42.46 40.98 1dpd s ILE 409 CO 0.37 -0.25 0.16 -0.70 0.24 0.00 0.00 174.94 174.76 1dpd s GLU 410 N -3.86 0.23 -0.28 0.37 2.12 -1.26 -5.10 118.70 110.92 1dpd s GLU 410 Ca 0.30 0.13 -0.09 0.00 0.36 0.00 0.00 54.97 55.68 1dpd s GLU 410 Cb 0.06 0.11 -0.02 0.00 0.26 0.00 0.00 34.13 34.54 1dpd s GLU 410 CO 0.10 -0.04 0.13 -1.21 -0.54 0.00 0.00 175.26 173.71 1dpd s GLU 411 N -0.12 3.55 0.04 4.30 2.02 -1.26 -5.08 118.70 122.15 1dpd s GLU 411 Ca -0.02 -0.57 0.03 0.00 0.02 0.00 0.00 54.97 54.43 1dpd s GLU 411 Cb -0.02 -3.50 -0.04 0.00 0.10 0.00 0.00 34.13 30.67 1dpd s GLU 411 CO 0.00 -0.30 0.00 0.14 0.02 0.00 0.00 175.26 175.13 1dpd s VAL 412 N 1.64 4.09 0.34 2.63 -7.23 -1.26 -5.12 120.40 115.50 1dpd s VAL 412 Ca 0.06 -0.76 -0.01 0.00 -1.81 0.00 0.00 61.98 59.46 1dpd s VAL 412 Cb -0.16 -2.88 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 1dpd s VAL 412 CO 0.06 0.27 0.56 -2.84 -0.31 0.00 0.00 175.10 172.85 1dpd s PRO 413 N -1.86 3.52 0.04 4.82 0.02 -1.26 -5.10 135.00 135.17 1dpd s PRO 413 Ca 0.22 -0.23 -0.19 0.00 0.02 0.00 0.00 61.00 60.82 1dpd s PRO 413 Cb -0.12 -2.64 -0.06 0.00 0.02 0.00 0.00 34.50 31.70 1dpd s PRO 413 CO 0.14 0.14 0.55 -1.64 -0.33 0.00 0.00 177.00 175.85 1dpd s MET 414 N -4.18 4.19 0.74 5.54 -1.94 -1.26 -5.07 119.30 117.32 1dpd s MET 414 Ca 0.41 0.68 -0.13 0.00 -1.71 0.00 0.00 55.69 54.95 1dpd s MET 414 Cb -0.10 -3.26 0.04 0.00 2.01 0.00 0.00 34.83 33.52 1dpd s MET 414 CO 0.36 0.57 1.12 0.95 -0.01 0.00 0.00 175.02 178.01 1dpd s THR 415 N -0.85 3.07 0.38 2.05 -4.23 -1.26 -4.86 115.64 109.94 1dpd s THR 415 Ca 0.28 0.42 0.09 0.00 -1.18 0.00 0.00 61.69 61.31 1dpd s THR 415 Cb -0.19 -2.88 0.31 0.00 1.34 0.00 0.00 72.50 71.08 1dpd s THR 415 CO 0.17 -0.38 1.94 0.08 -0.54 0.00 0.00 174.62 175.89 1dpd h ARG 416 N -0.67 0.61 -0.44 3.99 -0.00 -1.98 -1.71 114.38 114.18 1dpd h ARG 416 Ca -0.45 -0.04 0.02 0.00 -0.00 0.00 0.00 59.98 59.51 1dpd h ARG 416 Cb 1.25 -0.14 -0.03 0.00 -0.00 0.00 0.00 29.97 31.05 1dpd h ARG 416 CO 0.51 0.40 0.26 1.25 -0.00 0.00 0.00 179.97 182.40 1dpd h LEU 417 N 0.63 0.42 -0.95 0.08 6.46 -1.91 0.24 115.31 120.28 1dpd h LEU 417 Ca 0.34 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 58.07 1dpd h LEU 417 Cb 0.49 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.30 1dpd h LEU 417 CO -0.12 0.30 0.35 0.24 -0.62 0.00 0.00 178.44 178.59 1dpd h MET 418 N 0.52 1.11 -0.40 1.25 2.86 -1.42 -0.36 114.93 118.50 1dpd h MET 418 Ca 0.18 -0.17 -0.12 0.00 -2.06 0.00 0.00 59.70 57.53 1dpd h MET 418 Cb 0.01 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 1dpd h MET 418 CO -0.08 0.87 -0.24 1.96 1.06 0.00 0.00 176.91 180.47 1dpd h GLN 419 N 1.10 0.81 0.26 1.72 4.20 -0.95 0.52 115.11 122.77 1dpd h GLN 419 Ca 0.26 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1dpd h GLN 419 Cb 0.13 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1dpd h GLN 419 CO -0.03 0.96 -0.13 0.82 -0.67 0.00 0.00 178.83 179.79 1dpd h ILE 420 N 0.70 0.79 -0.61 2.54 1.08 -0.52 -2.34 117.51 119.15 1dpd h ILE 420 Ca 0.09 -0.35 0.10 0.00 -0.39 0.00 0.00 64.86 64.31 1dpd h ILE 420 Cb 0.77 0.99 -0.07 0.00 -3.07 0.00 0.00 36.82 35.43 1dpd h ILE 420 CO 0.06 0.08 0.22 1.23 -0.69 0.00 0.00 178.15 179.05 1dpd h GLY 421 N -0.53 0.85 0.75 5.37 0.00 -0.77 -0.58 103.07 108.15 1dpd h GLY 421 Ca -0.04 -0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.24 1dpd h GLY 421 CO 0.06 -0.03 0.48 0.00 0.00 0.00 0.00 176.54 177.05 1dpd h ALA 422 N 1.43 1.06 -0.36 3.60 0.00 0.21 -1.40 119.26 123.81 1dpd h ALA 422 Ca 0.31 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 1dpd h ALA 422 Cb 0.40 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1dpd h ALA 422 CO -0.32 0.22 -0.20 1.15 0.00 0.00 0.00 179.25 180.10 1dpd h THR 423 N 0.89 1.29 -0.55 0.00 2.02 -0.59 -2.12 112.91 113.84 1dpd h THR 423 Ca 0.34 -1.34 -0.08 0.00 0.77 0.00 0.00 66.41 66.10 1dpd h THR 423 Cb 0.14 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1dpd h THR 423 CO -0.16 0.44 0.02 0.78 0.37 0.00 0.00 175.52 176.98 1dpd h ASN 424 N 0.56 0.93 -0.63 4.18 2.35 -0.78 -0.81 115.58 121.38 1dpd h ASN 424 Ca 0.08 -0.29 -0.07 0.00 -0.55 0.00 0.00 56.30 55.46 1dpd h ASN 424 Cb 0.76 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.85 1dpd h ASN 424 CO 0.06 1.00 0.13 -0.07 -1.65 0.00 0.00 177.43 176.90 1dpd h LEU 425 N 0.84 0.97 -0.67 1.61 3.38 -1.17 -1.19 115.31 119.08 1dpd h LEU 425 Ca 0.16 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 1dpd h LEU 425 Cb 0.50 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1dpd h LEU 425 CO 0.02 0.97 0.05 -0.74 0.09 0.00 0.00 178.44 178.83 1dpd h HIS 426 N 0.94 1.16 -0.36 1.13 2.76 -1.29 0.21 115.15 119.70 1dpd h HIS 426 Ca 0.19 -0.18 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1dpd h HIS 426 Cb 0.39 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 29.02 1dpd h HIS 426 CO 0.03 1.00 0.16 -0.09 -1.30 0.00 0.00 177.93 177.73 1dpd h ARG 427 N 1.00 0.52 -0.37 5.26 2.43 -0.67 -2.31 114.38 120.24 1dpd h ARG 427 Ca 0.19 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1dpd h ARG 427 Cb 0.50 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 1dpd h ARG 427 CO 0.02 0.49 0.22 0.77 -1.51 0.00 0.00 179.97 179.96 1dpd h SER 428 N 0.44 0.35 -0.47 -3.80 0.02 -1.06 -1.91 113.55 107.12 1dpd h SER 428 Ca 0.12 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.14 1dpd h SER 428 Cb 0.15 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.56 1dpd h SER 428 CO -0.01 0.25 0.15 -0.25 -1.14 0.00 0.00 176.83 175.83 1dpd h TRP 429 N 0.44 0.26 0.00 3.45 2.91 -0.74 0.01 115.95 122.28 1dpd h TRP 429 Ca 0.15 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.19 1dpd h TRP 429 Cb 0.01 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 28.61 1dpd h TRP 429 CO -0.08 0.08 0.00 -0.07 -1.03 0.00 0.00 178.44 177.34 1dpd h LEU 430 N 0.31 0.00 0.00 0.65 3.38 -1.32 -3.33 115.31 115.01 1dpd h LEU 430 Ca 0.23 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.98 1dpd h LEU 430 Cb 0.24 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1dpd h LEU 430 CO -0.24 0.00 -1.90 0.59 0.09 0.00 0.00 178.44 176.98 1dpd n ASN 431 N -2.93 0.39 -4.26 -0.43 4.13 -0.73 -4.90 115.26 106.53 1dpd n ASN 431 Ca 0.04 0.17 -0.36 0.00 1.68 0.00 0.00 54.58 56.12 1dpd n ASN 431 Cb 0.49 0.80 -0.14 0.00 -1.54 0.00 0.00 39.78 39.40 1dpd n ASN 431 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1dpd s VAL 432 N -2.86 3.34 -0.43 2.41 1.01 -0.07 -5.06 120.40 118.75 1dpd s VAL 432 Ca -0.07 -0.88 -0.28 0.00 0.00 0.00 0.00 61.98 60.75 1dpd s VAL 432 Cb 0.09 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1dpd s VAL 432 CO 0.84 0.15 1.51 -2.16 0.00 0.00 0.00 175.10 175.43 1dpd s PRO 433 N 1.40 3.44 0.04 2.72 0.04 -1.26 -4.78 135.00 136.61 1dpd s PRO 433 Ca 0.01 0.94 -0.22 0.00 0.04 0.00 0.00 61.00 61.78 1dpd s PRO 433 Cb -0.17 -4.09 -0.06 0.00 0.04 0.00 0.00 34.50 30.22 1dpd s PRO 433 CO -0.01 -1.73 0.65 -1.01 0.04 0.00 0.00 177.00 174.94 1dpd s HIS 434 N 5.98 3.75 0.05 0.56 3.76 -1.26 -1.54 115.29 126.58 1dpd s HIS 434 Ca 0.64 1.33 0.05 0.00 -0.15 0.00 0.00 55.06 56.93 1dpd s HIS 434 Cb -0.15 -2.66 -0.02 0.00 1.11 0.00 0.00 32.58 30.86 1dpd s HIS 434 CO 0.31 0.40 -0.14 0.08 -0.85 0.00 0.00 174.74 174.55 1dpd s VAL 435 N -0.46 1.07 -0.09 -0.90 1.01 -1.05 -4.96 120.40 115.01 1dpd s VAL 435 Ca 0.33 -1.08 0.04 0.00 0.00 0.00 0.00 61.98 61.27 1dpd s VAL 435 Cb -0.20 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 1dpd s VAL 435 CO 0.20 -0.08 -0.22 -0.89 0.00 0.00 0.00 175.10 174.12 1dpd s THR 436 N -0.98 2.30 -0.19 3.92 2.01 -1.26 -1.04 115.64 120.40 1dpd s THR 436 Ca -0.00 -0.95 -0.05 0.00 0.31 0.00 0.00 61.69 61.00 1dpd s THR 436 Cb -0.08 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 1dpd s THR 436 CO 0.01 0.56 0.00 -1.58 -0.69 0.00 0.00 174.62 172.92 1dpd s GLN 437 N 0.19 3.70 -0.01 4.92 2.00 0.16 -4.94 119.66 125.67 1dpd s GLN 437 Ca -0.13 -0.49 -0.00 0.00 -2.00 0.00 0.00 55.36 52.74 1dpd s GLN 437 Cb -0.16 -3.07 -0.04 0.00 0.80 0.00 0.00 33.01 30.54 1dpd s GLN 437 CO 0.07 0.11 0.07 -0.06 -0.50 0.00 0.00 175.29 174.98 1dpd s PHE 438 N 0.74 3.26 0.15 1.67 0.08 -1.26 -0.60 117.98 122.01 1dpd s PHE 438 Ca 0.00 0.20 -0.12 0.00 0.12 0.00 0.00 56.93 57.13 1dpd s PHE 438 Cb -0.14 -1.74 0.01 0.00 -0.57 0.00 0.00 43.02 40.58 1dpd s PHE 438 CO 0.02 0.54 0.35 -2.00 -0.10 0.00 0.00 175.22 174.03 1dpd s GLU 439 N -1.66 1.13 0.00 0.44 2.56 -0.95 -5.01 118.70 115.21 1dpd s GLU 439 Ca 0.22 -0.96 0.05 0.00 0.00 0.00 0.00 54.97 54.28 1dpd s GLU 439 Cb -0.12 0.42 -0.01 0.00 2.00 0.00 0.00 34.13 36.42 1dpd s GLU 439 CO 0.13 -0.43 -0.15 -1.12 -0.56 0.00 0.00 175.26 173.13 1dpd s SER 440 N -2.89 1.77 0.02 -1.70 0.01 -1.26 -1.19 113.70 108.46 1dpd s SER 440 Ca 0.10 -0.33 0.08 0.00 1.31 0.00 0.00 55.95 57.11 1dpd s SER 440 Cb 0.02 -0.17 -0.03 0.00 0.21 0.00 0.00 66.02 66.05 1dpd s SER 440 CO -0.05 0.15 -0.22 0.00 0.41 0.00 0.00 173.24 173.52 1dpd s ALA 441 N -0.49 2.42 -0.56 1.44 0.00 -0.33 -4.90 121.76 119.34 1dpd s ALA 441 Ca 0.05 -1.19 -0.27 0.00 0.00 0.00 0.00 51.96 50.55 1dpd s ALA 441 Cb -0.06 -0.64 0.03 0.00 0.00 0.00 0.00 23.12 22.45 1dpd s ALA 441 CO 0.00 0.55 1.09 0.34 0.00 0.00 0.00 175.76 177.74 1dpd s ASP 442 N -1.17 6.42 -0.25 0.00 -1.08 -1.26 -0.20 116.67 119.11 1dpd s ASP 442 Ca 0.13 -0.05 0.13 0.00 -0.52 0.00 0.00 52.55 52.24 1dpd s ASP 442 Cb -0.10 -2.51 0.61 0.00 -1.46 0.00 0.00 42.92 39.46 1dpd s ASP 442 CO 0.03 -1.37 1.57 2.30 0.52 0.00 0.00 175.17 178.22 1dpd n ILE 443 N 6.50 2.58 -0.04 4.11 -5.35 -0.13 -3.59 119.36 123.43 1dpd n ILE 443 Ca 0.06 -1.96 -0.08 0.00 -0.27 0.00 0.00 62.75 60.50 1dpd n ILE 443 Cb 0.48 -0.30 -0.02 0.00 -1.74 0.00 0.00 39.64 38.06 1dpd n ILE 443 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1dpd h THR 444 N 2.02 0.76 -0.11 7.28 2.02 -1.90 0.63 112.91 123.61 1dpd h THR 444 Ca 0.13 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.17 1dpd h THR 444 Cb 1.80 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.96 1dpd h THR 444 CO 0.44 0.00 -0.54 -0.33 0.37 0.00 0.00 175.52 175.46 1dpd h GLU 445 N -0.02 0.32 -0.50 6.66 4.39 -1.86 -2.03 114.58 121.54 1dpd h GLU 445 Ca 0.10 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1dpd h GLU 445 Cb 0.18 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1dpd h GLU 445 CO -0.23 0.78 0.26 1.25 -1.16 0.00 0.00 179.01 179.90 1dpd h LEU 446 N 0.24 0.64 -0.17 1.33 6.46 -1.68 -1.36 115.31 120.76 1dpd h LEU 446 Ca 0.00 -0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.65 1dpd h LEU 446 Cb 1.03 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.79 1dpd h LEU 446 CO 0.09 0.56 0.08 -0.08 -0.62 0.00 0.00 178.44 178.47 1dpd h GLU 447 N 0.66 0.25 -0.49 1.25 4.57 -0.57 -0.19 114.58 120.06 1dpd h GLU 447 Ca 0.17 -0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.40 1dpd h GLU 447 Cb 0.08 -0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 28.55 1dpd h GLU 447 CO -0.02 0.31 0.03 0.00 -1.18 0.00 0.00 179.01 178.15 1dpd h ALA 448 N 0.93 0.49 -0.08 2.92 0.00 -1.32 -2.29 119.26 119.91 1dpd h ALA 448 Ca 0.06 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1dpd h ALA 448 Cb 0.15 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1dpd h ALA 448 CO -0.01 -0.37 0.03 0.35 0.00 0.00 0.00 179.25 179.26 1dpd h PHE 449 N 0.15 0.05 -0.50 0.00 3.57 -0.54 -0.73 116.94 118.95 1dpd h PHE 449 Ca 0.25 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.85 1dpd h PHE 449 Cb 0.36 -0.01 -0.10 0.00 2.79 0.00 0.00 35.95 38.99 1dpd h PHE 449 CO -0.28 0.03 -0.24 -0.09 -2.23 0.00 0.00 178.31 175.50 1dpd h ARG 450 N 0.07 -0.12 -0.40 1.11 2.43 -0.81 -1.05 114.38 115.61 1dpd h ARG 450 Ca 0.03 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 1dpd h ARG 450 Cb 0.02 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1dpd h ARG 450 CO -0.03 -0.08 -0.22 0.28 -1.51 0.00 0.00 179.97 178.40 1dpd h VAL 451 N -0.12 1.28 -0.35 0.20 2.07 -1.32 -2.72 116.25 115.28 1dpd h VAL 451 Ca 0.23 -1.37 -0.08 0.00 0.82 0.00 0.00 66.70 66.30 1dpd h VAL 451 Cb 0.49 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1dpd h VAL 451 CO -0.58 0.46 -0.12 0.00 0.02 0.00 0.00 177.57 177.36 1dpd h ALA 452 N 0.81 1.15 -0.11 1.67 0.00 -0.55 -2.81 119.26 119.42 1dpd h ALA 452 Ca 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1dpd h ALA 452 Cb 0.79 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1dpd h ALA 452 CO 0.06 0.54 0.00 1.04 0.00 0.00 0.00 179.25 180.89 1dpd n GLN 453 N -4.19 1.60 -0.30 0.00 1.13 -0.45 -3.98 117.38 111.20 1dpd n GLN 453 Ca 0.01 -0.53 0.01 0.00 -1.94 0.00 0.00 57.00 54.55 1dpd n GLN 453 Cb 0.34 -1.52 0.19 0.00 0.11 0.00 0.00 30.24 29.36 1dpd n GLN 453 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1dpd h LYS 454 N 0.70 1.12 0.03 -1.09 6.56 -1.40 -1.43 116.57 121.05 1dpd h LYS 454 Ca 0.00 -0.07 0.01 0.00 -1.06 0.00 0.00 60.65 59.53 1dpd h LYS 454 Cb 0.63 -0.25 -0.02 0.00 -0.57 0.00 0.00 32.23 32.03 1dpd h LYS 454 CO 0.07 0.74 -0.09 0.00 -2.06 0.00 0.00 179.45 178.11 1dpd h ALA 455 N 1.47 -0.12 -0.08 3.86 0.00 -1.84 -1.33 119.26 121.21 1dpd h ALA 455 Ca 0.34 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1dpd h ALA 455 Cb -0.04 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1dpd h ALA 455 CO -0.09 -0.59 0.02 0.28 0.00 0.00 0.00 179.25 178.87 1dpd h VAL 456 N -0.17 1.19 -0.41 0.00 2.07 -1.81 -0.53 116.25 116.59 1dpd h VAL 456 Ca 0.03 -0.60 0.04 0.00 0.82 0.00 0.00 66.70 66.99 1dpd h VAL 456 Cb 0.19 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1dpd h VAL 456 CO -0.07 0.17 0.19 0.00 0.02 0.00 0.00 177.57 177.88 1dpd h ALA 457 N 0.80 0.50 -0.45 1.67 0.00 -1.23 -0.42 119.26 120.14 1dpd h ALA 457 Ca 0.03 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1dpd h ALA 457 Cb 0.25 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1dpd h ALA 457 CO 0.00 -0.18 0.03 1.05 0.00 0.00 0.00 179.25 180.15 1dpd h GLU 458 N 0.39 0.72 -0.53 0.00 4.11 -1.05 -0.91 114.58 117.30 1dpd h GLU 458 Ca 0.18 -0.17 -0.03 0.00 0.07 0.00 0.00 59.36 59.41 1dpd h GLU 458 Cb 0.11 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1dpd h GLU 458 CO -0.14 0.71 0.22 1.57 0.07 0.00 0.00 179.01 181.43 1dpd h LYS 459 N 0.68 0.76 -0.00 1.06 -0.00 -0.40 -0.06 116.57 118.62 1dpd h LYS 459 Ca 0.14 -0.11 0.00 0.00 -0.00 0.00 0.00 60.65 60.68 1dpd h LYS 459 Cb 0.37 -0.14 0.00 0.00 -0.00 0.00 0.00 32.23 32.46 1dpd h LYS 459 CO 0.01 0.62 -0.05 0.00 -0.00 0.00 0.00 179.45 180.03 1dpd n ALA 460 N -2.46 2.56 -0.99 0.07 0.00 -0.23 -4.93 120.51 114.52 1dpd n ALA 460 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1dpd n ALA 460 Cb 0.16 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1dpd n ALA 460 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dpd n GLY 461 N 1.36 0.82 3.89 0.00 0.00 -0.04 -5.03 105.19 106.19 1dpd n GLY 461 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1dpd n GLY 461 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1dpd s VAL 462 N -3.30 4.91 -0.14 1.61 -7.23 -0.81 -4.96 120.40 110.48 1dpd s VAL 462 Ca 0.00 -1.02 -0.06 0.00 -1.81 0.00 0.00 61.98 59.09 1dpd s VAL 462 Cb 0.00 -3.58 -0.04 0.00 0.56 0.00 0.00 36.38 33.32 1dpd s VAL 462 CO 0.00 -0.21 0.09 -1.59 -0.31 0.00 0.00 175.10 173.07 1dpd s LYS 463 N -3.52 3.56 -0.44 4.82 0.00 -1.26 -3.85 119.74 119.05 1dpd s LYS 463 Ca 0.33 -0.26 -0.09 0.00 0.00 0.00 0.00 55.97 55.95 1dpd s LYS 463 Cb -0.10 -3.13 0.09 0.00 0.00 0.00 0.00 37.83 34.70 1dpd s LYS 463 CO 0.27 0.57 0.29 -1.17 0.00 0.00 0.00 175.35 175.31 1dpd s LEU 464 N -0.47 5.34 0.00 2.77 2.96 -1.26 -4.83 118.68 123.19 1dpd s LEU 464 Ca 0.11 -1.66 0.00 0.00 -0.22 0.00 0.00 54.13 52.36 1dpd s LEU 464 Cb -0.12 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.58 1dpd s LEU 464 CO 0.02 -0.59 0.00 0.35 -1.32 0.00 0.00 176.35 174.81 1dpd n THR 465 N 4.90 0.00 0.21 3.68 -2.24 -1.26 -4.93 114.28 114.64 1dpd n THR 465 Ca -0.09 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.78 1dpd n THR 465 Cb 0.42 -1.04 0.28 0.00 -2.10 0.00 0.00 70.33 67.89 1dpd n THR 465 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1dpd h VAL 466 N -0.03 0.41 0.18 2.28 3.04 -2.01 -3.37 116.25 116.75 1dpd h VAL 466 Ca 0.00 -1.32 -0.01 0.00 -1.01 0.00 0.00 66.70 64.36 1dpd h VAL 466 Cb 0.00 1.99 -0.00 0.00 -2.01 0.00 0.00 31.29 31.27 1dpd h VAL 466 CO 0.00 0.21 -0.11 0.25 -1.01 0.00 0.00 177.57 176.91 1dpd h LEU 467 N 0.00 -0.27 -1.96 3.16 6.46 -1.98 -0.23 115.31 120.49 1dpd h LEU 467 Ca -0.00 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.81 1dpd h LEU 467 Cb 0.97 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.97 1dpd h LEU 467 CO 0.03 -0.18 0.11 1.55 -0.62 0.00 0.00 178.44 179.33 1dpd h PRO 468 N -0.28 0.05 -0.33 5.25 0.13 -1.90 0.55 132.00 135.47 1dpd h PRO 468 Ca -0.02 -0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.97 1dpd h PRO 468 Cb 0.23 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.35 1dpd h PRO 468 CO 0.02 0.03 -0.34 -0.07 -0.23 0.00 0.00 178.00 177.41 1dpd h LEU 469 N 0.05 0.87 -0.32 1.56 3.38 -1.58 -1.57 115.31 117.71 1dpd h LEU 469 Ca 0.07 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 1dpd h LEU 469 Cb 0.22 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1dpd h LEU 469 CO -0.01 1.17 0.10 0.25 0.09 0.00 0.00 178.44 180.04 1dpd h LEU 470 N 0.59 0.46 -0.52 1.67 5.85 -0.11 -2.28 115.31 120.99 1dpd h LEU 470 Ca 0.05 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1dpd h LEU 470 Cb 0.92 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1dpd h LEU 470 CO 0.08 0.54 0.25 -0.07 -0.34 0.00 0.00 178.44 178.90 1dpd h LEU 471 N 0.36 0.67 -0.63 2.25 3.38 -0.90 -1.20 115.31 119.25 1dpd h LEU 471 Ca 0.10 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1dpd h LEU 471 Cb 0.24 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1dpd h LEU 471 CO -0.00 0.61 0.29 0.11 0.09 0.00 0.00 178.44 179.55 1dpd h LYS 472 N 0.69 0.91 -0.21 1.13 1.79 -1.19 -1.70 116.57 117.99 1dpd h LYS 472 Ca 0.18 -0.14 -0.11 0.00 -2.18 0.00 0.00 60.65 58.40 1dpd h LYS 472 Cb 0.12 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1dpd h LYS 472 CO -0.02 0.74 -0.30 0.00 -1.08 0.00 0.00 179.45 178.78 1dpd h ALA 473 N 1.13 0.32 -0.31 3.86 0.00 -1.24 -2.15 119.26 120.88 1dpd h ALA 473 Ca 0.22 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1dpd h ALA 473 Cb 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1dpd h ALA 473 CO -0.03 0.34 -0.05 0.00 0.00 0.00 0.00 179.25 179.52 1dpd h ALA 475 N 1.49 0.77 -0.59 0.00 0.00 -1.15 0.33 119.26 120.11 1dpd h ALA 475 Ca 0.10 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1dpd h ALA 475 Cb 0.39 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1dpd h ALA 475 CO 0.02 0.55 0.35 -0.92 0.00 0.00 0.00 179.25 179.25 1dpd h TYR 476 N 0.87 0.77 -0.19 0.00 3.20 -1.05 -2.69 116.97 117.88 1dpd h TYR 476 Ca 0.17 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.92 1dpd h TYR 476 Cb 0.47 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1dpd h TYR 476 CO 0.03 0.53 -0.38 -0.07 -1.64 0.00 0.00 178.16 176.63 1dpd h LEU 477 N 0.79 0.45 -1.98 2.82 3.38 -0.79 -2.41 115.31 117.57 1dpd h LEU 477 Ca 0.21 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1dpd h LEU 477 Cb -0.02 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1dpd h LEU 477 CO -0.04 0.79 -0.09 -0.07 0.09 0.00 0.00 178.44 179.12 1dpd h LEU 478 N 0.36 0.00 0.05 1.67 4.07 -0.06 -0.40 115.31 121.00 1dpd h LEU 478 Ca 0.04 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.73 1dpd h LEU 478 Cb 0.83 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.55 1dpd h LEU 478 CO 0.07 0.09 -1.37 0.11 -1.08 0.00 0.00 178.44 176.26 1dpd h LYS 479 N 0.00 0.10 -0.09 1.13 1.57 -1.19 -3.32 116.57 114.77 1dpd h LYS 479 Ca -0.00 -0.17 -0.24 0.00 -1.87 0.00 0.00 60.65 58.37 1dpd h LYS 479 Cb 0.32 0.06 0.02 0.00 0.08 0.00 0.00 32.23 32.70 1dpd h LYS 479 CO 0.01 0.92 -0.89 1.49 -0.57 0.00 0.00 179.45 180.42 1dpd h GLU 480 N 0.03 0.75 -2.48 3.15 4.81 -0.70 -3.38 114.58 116.77 1dpd h GLU 480 Ca -0.16 -0.70 -0.64 0.00 -0.13 0.00 0.00 59.36 57.73 1dpd h GLU 480 Cb 1.92 0.17 -0.40 0.00 0.63 0.00 0.00 28.75 31.08 1dpd h GLU 480 CO 0.13 1.29 -0.36 1.28 -0.73 0.00 0.00 179.01 180.62 1dpd n LEU 481 N -3.91 4.10 0.29 1.64 4.77 -0.30 -4.98 117.00 118.61 1dpd n LEU 481 Ca -0.09 -5.37 0.18 0.00 -0.03 0.00 0.00 56.01 50.71 1dpd n LEU 481 Cb 0.80 -0.80 0.97 0.00 -2.33 0.00 0.00 43.42 42.06 1dpd n LEU 481 CO 0.54 1.94 1.16 1.55 -1.33 0.00 0.00 177.39 181.24 1dpd h PRO 482 N 4.62 0.00 0.00 3.23 0.13 -1.75 -2.00 132.00 136.24 1dpd h PRO 482 Ca 0.19 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1dpd h PRO 482 Cb 0.67 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.80 1dpd h PRO 482 CO 0.90 0.00 -0.01 -0.44 -0.23 0.00 0.00 178.00 178.22 1dpd h ASP 483 N 0.00 0.00 1.97 1.44 3.32 -1.94 0.41 116.42 121.62 1dpd h ASP 483 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1dpd h ASP 483 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1dpd h ASP 483 CO -0.00 0.01 -0.01 -0.26 -1.72 0.00 0.00 179.24 177.26 1dpd h PHE 484 N 0.00 0.00 -1.71 4.55 0.04 -1.68 -3.28 116.94 114.86 1dpd h PHE 484 Ca -0.00 0.00 -0.73 0.00 2.80 0.00 0.00 57.97 60.04 1dpd h PHE 484 Cb 0.07 0.00 -0.29 0.00 2.20 0.00 0.00 35.95 37.93 1dpd h PHE 484 CO 0.00 0.00 0.86 -1.71 -0.60 0.00 0.00 178.31 176.86 1dpd n ASN 485 N -3.06 7.32 -3.45 2.17 5.15 0.13 -4.69 115.26 118.84 1dpd n ASN 485 Ca 0.04 -3.82 -0.15 0.00 -0.60 0.00 0.00 54.58 50.05 1dpd n ASN 485 Cb 0.53 -0.99 -0.06 0.00 -0.53 0.00 0.00 39.78 38.73 1dpd n ASN 485 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1dpd s SER 486 N -1.48 0.89 0.03 1.20 1.04 -1.24 -2.04 113.70 112.11 1dpd s SER 486 Ca 0.55 -1.48 -0.01 0.00 0.48 0.00 0.00 55.95 55.48 1dpd s SER 486 Cb 0.45 0.60 -0.02 0.00 0.10 0.00 0.00 66.02 67.15 1dpd s SER 486 CO -0.30 -1.18 -0.01 -0.44 0.98 0.00 0.00 173.24 172.29 1dpd s SER 487 N -3.24 0.30 -0.14 7.02 0.01 -0.43 -4.17 113.70 113.05 1dpd s SER 487 Ca 0.33 -0.65 -0.29 0.00 1.31 0.00 0.00 55.95 56.65 1dpd s SER 487 Cb 0.01 0.15 -0.02 0.00 0.21 0.00 0.00 66.02 66.37 1dpd s SER 487 CO 0.20 -0.42 1.23 -0.22 0.41 0.00 0.00 173.24 174.43 1dpd s LEU 488 N -1.99 4.20 0.48 2.44 2.96 -1.26 0.19 118.68 125.69 1dpd s LEU 488 Ca -0.07 1.70 -0.23 0.00 -0.22 0.00 0.00 54.13 55.31 1dpd s LEU 488 Cb -0.03 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.03 1dpd s LEU 488 CO -0.04 -0.70 1.21 0.00 -1.32 0.00 0.00 176.35 175.49 1dpd n ALA 489 N 6.17 1.04 0.17 5.97 0.00 0.43 -4.88 120.51 129.41 1dpd n ALA 489 Ca 0.13 0.19 0.16 0.00 0.00 0.00 0.00 53.44 53.92 1dpd n ALA 489 Cb 0.45 -2.24 0.75 0.00 0.00 0.00 0.00 19.45 18.42 1dpd n ALA 489 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1dpd h PRO 490 N 1.63 0.00 0.00 0.00 0.11 -1.94 -1.21 132.00 130.59 1dpd h PRO 490 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1dpd h PRO 490 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1dpd h PRO 490 CO 0.57 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.23 1dpd n SER 491 N -4.15 0.00 0.00 -2.05 3.41 -1.26 -4.83 113.62 104.75 1dpd n SER 491 Ca 0.02 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1dpd n SER 491 Cb 0.33 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1dpd n SER 491 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dpd n GLY 492 N -0.82 0.41 0.24 5.00 0.00 -0.46 -4.77 105.19 104.79 1dpd n GLY 492 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.10 1dpd n GLY 492 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dpd n GLN 493 N -1.93 0.78 -3.67 1.61 0.00 -1.26 -5.00 117.38 107.91 1dpd n GLN 493 Ca 0.00 -1.83 -0.14 0.00 0.00 0.00 0.00 57.00 55.03 1dpd n GLN 493 Cb 0.02 -1.04 -0.07 0.00 0.00 0.00 0.00 30.24 29.14 1dpd n GLN 493 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1dpd s ALA 494 N -1.54 -1.09 -0.13 2.61 0.00 -1.26 -5.06 121.76 115.29 1dpd s ALA 494 Ca 0.17 0.52 -0.05 0.00 0.00 0.00 0.00 51.96 52.60 1dpd s ALA 494 Cb 0.15 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 1dpd s ALA 494 CO 0.02 -0.37 0.05 -0.51 0.00 0.00 0.00 175.76 174.95 1dpd s LEU 495 N -1.59 3.86 -0.49 0.00 1.02 -1.26 -0.42 118.68 119.79 1dpd s LEU 495 Ca -0.09 0.20 -0.18 0.00 0.02 0.00 0.00 54.13 54.08 1dpd s LEU 495 Cb -0.02 -1.93 0.06 0.00 0.02 0.00 0.00 46.19 44.32 1dpd s LEU 495 CO 0.03 0.32 0.54 -0.63 0.02 0.00 0.00 176.35 176.63 1dpd s ILE 496 N -0.51 5.00 -0.17 -0.59 1.01 0.13 -4.84 121.20 121.22 1dpd s ILE 496 Ca 0.10 -0.65 -0.29 0.00 0.00 0.00 0.00 60.65 59.81 1dpd s ILE 496 Cb -0.12 -4.23 -0.00 0.00 0.01 0.00 0.00 42.46 38.12 1dpd s ILE 496 CO 0.02 -0.71 1.00 -0.13 0.00 0.00 0.00 174.94 175.12 1dpd s ARG 497 N 2.29 4.34 0.08 2.79 0.52 -1.26 -1.32 118.95 126.39 1dpd s ARG 497 Ca 0.12 1.33 -0.23 0.00 -0.52 0.00 0.00 55.73 56.42 1dpd s ARG 497 Cb -0.21 -3.59 -0.06 0.00 0.52 0.00 0.00 34.95 31.61 1dpd s ARG 497 CO 0.10 -0.45 0.71 0.15 0.02 0.00 0.00 175.30 175.83 1dpd s LYS 498 N 2.54 4.44 -0.15 3.54 1.02 -0.87 -4.95 119.74 125.31 1dpd s LYS 498 Ca 0.45 0.99 0.16 0.00 0.02 0.00 0.00 55.97 57.59 1dpd s LYS 498 Cb -0.17 -3.30 0.71 0.00 -0.52 0.00 0.00 37.83 34.55 1dpd s LYS 498 CO 0.12 0.46 1.61 1.63 -0.92 0.00 0.00 175.35 178.25 1dpd n LYS 499 N 2.19 3.97 -4.38 1.68 4.76 -1.26 -4.92 118.16 120.21 1dpd n LYS 499 Ca -0.06 -2.78 -0.20 0.00 -2.87 0.00 0.00 58.31 52.41 1dpd n LYS 499 Cb 0.50 -1.99 -0.10 0.00 -1.84 0.00 0.00 35.03 31.59 1dpd n LYS 499 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 1dpd s TYR 500 N -2.13 1.81 -0.34 2.13 1.13 -1.26 -5.12 117.35 113.57 1dpd s TYR 500 Ca 0.49 -0.59 0.02 0.00 -1.41 0.00 0.00 57.07 55.58 1dpd s TYR 500 Cb 0.34 -0.89 0.10 0.00 -1.10 0.00 0.00 41.96 40.41 1dpd s TYR 500 CO 0.20 0.36 0.09 0.08 -2.51 0.00 0.00 175.55 173.78 1dpd s VAL 501 N -2.95 1.58 -0.09 -3.49 1.01 -1.26 -4.98 120.40 110.22 1dpd s VAL 501 Ca 0.25 -1.96 0.01 0.00 0.00 0.00 0.00 61.98 60.27 1dpd s VAL 501 Cb 0.00 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 1dpd s VAL 501 CO 0.09 -0.66 -0.10 -1.00 0.00 0.00 0.00 175.10 173.42 1dpd s HIS 502 N 1.15 2.84 -0.04 5.22 3.76 -1.26 -1.58 115.29 125.38 1dpd s HIS 502 Ca 0.11 -0.24 0.05 0.00 -0.15 0.00 0.00 55.06 54.83 1dpd s HIS 502 Cb -0.19 -1.75 -0.01 0.00 1.11 0.00 0.00 32.58 31.75 1dpd s HIS 502 CO -0.15 0.11 -0.18 0.42 -0.85 0.00 0.00 174.74 174.09 1dpd s ILE 503 N -0.36 1.46 0.27 0.60 1.01 -0.51 -0.39 121.20 123.29 1dpd s ILE 503 Ca 0.04 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 59.99 1dpd s ILE 503 Cb -0.12 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 1dpd s ILE 503 CO 0.02 0.42 0.41 -0.83 0.00 0.00 0.00 174.94 174.96 1dpd s GLY 504 N -0.10 1.27 -0.00 6.18 0.00 -0.21 -1.02 107.32 113.43 1dpd s GLY 504 Ca -0.01 -1.18 -0.01 0.00 0.00 0.00 0.00 44.72 43.53 1dpd s GLY 504 CO 0.01 -1.17 0.01 -0.11 0.00 0.00 0.00 173.10 171.85 1dpd s PHE 505 N -2.07 0.02 0.03 1.90 -0.71 -0.83 -1.23 117.98 115.08 1dpd s PHE 505 Ca 0.36 -0.03 -0.30 0.00 -1.04 0.00 0.00 56.93 55.92 1dpd s PHE 505 Cb -0.09 -0.02 -0.05 0.00 -1.21 0.00 0.00 43.02 41.65 1dpd s PHE 505 CO 0.31 -0.03 1.13 0.00 -1.34 0.00 0.00 175.22 175.28 1dpd s ALA 506 N -0.19 3.32 -0.15 1.99 0.00 -0.80 -3.58 121.76 122.36 1dpd s ALA 506 Ca -0.02 0.73 0.01 0.00 0.00 0.00 0.00 51.96 52.68 1dpd s ALA 506 Cb -0.01 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.71 1dpd s ALA 506 CO -0.00 -0.39 -0.17 0.08 0.00 0.00 0.00 175.76 175.28 1dpd s VAL 507 N 1.13 1.76 -0.34 0.00 1.01 0.05 -4.73 120.40 119.28 1dpd s VAL 507 Ca 0.56 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.62 1dpd s VAL 507 Cb -0.26 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 1dpd s VAL 507 CO 0.28 0.49 0.39 -1.81 0.00 0.00 0.00 175.10 174.45 1dpd s ASP 508 N 1.24 6.21 0.43 3.32 1.01 -1.26 -1.13 116.67 126.49 1dpd s ASP 508 Ca 0.01 -0.14 0.07 0.00 0.71 0.00 0.00 52.55 53.20 1dpd s ASP 508 Cb -0.14 -2.21 -0.03 0.00 1.01 0.00 0.00 42.92 41.55 1dpd s ASP 508 CO -0.08 -0.35 0.24 0.42 0.21 0.00 0.00 175.17 175.61 1dpd s THR 509 N 2.09 2.24 0.28 -1.27 -4.23 -0.70 -5.02 115.64 109.02 1dpd s THR 509 Ca 0.13 -1.62 0.01 0.00 -1.18 0.00 0.00 61.69 59.03 1dpd s THR 509 Cb -0.16 -2.86 0.10 0.00 1.34 0.00 0.00 72.50 70.92 1dpd s THR 509 CO 0.12 0.00 1.76 -0.65 -0.54 0.00 0.00 174.62 175.31 1dpd h PRO 510 N 1.26 0.64 0.00 3.99 0.11 -1.96 -2.23 132.00 133.80 1dpd h PRO 510 Ca -0.42 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 65.50 1dpd h PRO 510 Cb 1.26 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1dpd h PRO 510 CO 0.66 0.72 0.00 -0.44 -0.21 0.00 0.00 178.00 178.74 1dpd h ASP 511 N 0.58 0.00 -3.18 -2.05 5.19 -1.97 -3.50 116.42 111.50 1dpd h ASP 511 Ca 0.11 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 1dpd h ASP 511 Cb 0.52 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.03 1dpd h ASP 511 CO 0.03 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.76 1dpd n GLY 512 N 0.48 0.43 3.71 2.75 0.00 -0.84 -3.77 105.19 107.94 1dpd n GLY 512 Ca 0.02 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 1dpd n GLY 512 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dpd s LEU 513 N 0.00 4.34 0.05 0.99 2.96 -1.26 -1.73 118.68 124.03 1dpd s LEU 513 Ca 0.00 1.58 0.09 0.00 -0.22 0.00 0.00 54.13 55.58 1dpd s LEU 513 Cb 0.00 -3.51 -0.03 0.00 0.50 0.00 0.00 46.19 43.15 1dpd s LEU 513 CO 0.00 -0.28 -0.25 -0.76 -1.32 0.00 0.00 176.35 173.74 1dpd s LEU 514 N 1.17 2.26 -0.64 -0.68 1.43 -0.28 -4.98 118.68 116.95 1dpd s LEU 514 Ca 0.50 -0.56 0.05 0.00 -1.03 0.00 0.00 54.13 53.09 1dpd s LEU 514 Cb -0.20 -1.33 0.17 0.00 0.03 0.00 0.00 46.19 44.86 1dpd s LEU 514 CO 0.25 0.26 0.47 0.52 0.23 0.00 0.00 176.35 178.08 1dpd n VAL 515 N 1.72 1.01 -1.50 -1.59 0.31 -1.26 -0.77 118.33 116.25 1dpd n VAL 515 Ca -0.17 -4.55 -0.36 0.00 -0.01 0.00 0.00 64.34 59.25 1dpd n VAL 515 Cb 0.52 -2.06 0.08 0.00 -0.91 0.00 0.00 33.84 31.46 1dpd n VAL 515 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1dpd n PRO 516 N 2.12 0.73 -4.61 5.55 -0.04 -1.23 -4.61 135.00 132.91 1dpd n PRO 516 Ca 0.22 0.30 -0.33 0.00 -0.04 0.00 0.00 63.50 63.66 1dpd n PRO 516 Cb 0.38 -2.33 -0.15 0.00 -0.04 0.00 0.00 33.50 31.37 1dpd n PRO 516 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1dpd s VAL 517 N -1.66 2.86 -0.19 0.52 1.01 0.04 -1.97 120.40 121.02 1dpd s VAL 517 Ca 0.77 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.90 1dpd s VAL 517 Cb -0.36 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 1dpd s VAL 517 CO 0.46 0.51 0.28 -0.63 0.00 0.00 0.00 175.10 175.73 1dpd s ILE 518 N 0.65 5.30 0.06 2.22 1.01 -0.19 -4.90 121.20 125.35 1dpd s ILE 518 Ca -0.07 0.49 -0.19 0.00 0.00 0.00 0.00 60.65 60.88 1dpd s ILE 518 Cb -0.16 -3.62 -0.07 0.00 0.01 0.00 0.00 42.46 38.63 1dpd s ILE 518 CO 0.02 0.35 0.56 -0.13 0.00 0.00 0.00 174.94 175.74 1dpd s ARG 519 N 0.78 4.19 -1.16 2.79 1.81 -1.26 -1.42 118.95 124.68 1dpd s ARG 519 Ca 0.15 0.71 -0.06 0.00 -1.72 0.00 0.00 55.73 54.81 1dpd s ARG 519 Cb -0.13 -3.24 -0.03 0.00 -0.45 0.00 0.00 34.95 31.09 1dpd s ARG 519 CO 0.04 0.63 0.87 0.09 -0.68 0.00 0.00 175.30 176.25 1dpd n ASN 520 N 1.80 -4.16 -0.14 0.23 3.02 -0.74 -4.88 115.26 110.38 1dpd n ASN 520 Ca -0.10 -0.77 -0.01 0.00 -0.03 0.00 0.00 54.58 53.67 1dpd n ASN 520 Cb 0.51 -4.63 0.24 0.00 -0.61 0.00 0.00 39.78 35.30 1dpd n ASN 520 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1dpd h VAL 521 N -1.58 1.20 0.00 2.41 2.07 -1.49 -0.56 116.25 118.30 1dpd h VAL 521 Ca -0.62 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.35 1dpd h VAL 521 Cb 1.34 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1dpd h VAL 521 CO 0.49 0.23 0.22 -2.24 0.02 0.00 0.00 177.57 176.29 1dpd h ASP 522 N 0.85 0.00 -0.05 0.57 2.03 -1.90 -1.79 116.42 116.13 1dpd h ASP 522 Ca 0.21 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.51 1dpd h ASP 522 Cb 0.09 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 1dpd h ASP 522 CO -0.03 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.18 1dpd n GLN 523 N -2.33 0.89 -4.26 4.15 6.02 -0.22 -5.02 117.38 116.61 1dpd n GLN 523 Ca -0.01 -1.30 -0.23 0.00 -0.01 0.00 0.00 57.00 55.44 1dpd n GLN 523 Cb 0.25 -1.23 -0.07 0.00 1.02 0.00 0.00 30.24 30.21 1dpd n GLN 523 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1dpd s LYS 524 N -0.99 2.34 0.58 -1.09 1.02 -0.67 -5.12 119.74 115.81 1dpd s LYS 524 Ca 0.15 -1.42 0.03 0.00 0.02 0.00 0.00 55.97 54.75 1dpd s LYS 524 Cb 0.10 -2.19 0.06 0.00 -0.52 0.00 0.00 37.83 35.29 1dpd s LYS 524 CO 0.15 0.33 0.80 -1.54 -0.92 0.00 0.00 175.35 174.17 1dpd s SER 525 N -3.71 5.07 0.18 2.83 1.04 -1.26 -4.84 113.70 113.01 1dpd s SER 525 Ca 0.32 -0.28 -0.11 0.00 0.48 0.00 0.00 55.95 56.37 1dpd s SER 525 Cb -0.06 -0.46 0.10 0.00 0.10 0.00 0.00 66.02 65.69 1dpd s SER 525 CO 0.21 -1.30 1.75 -0.07 0.98 0.00 0.00 173.24 174.81 1dpd h LEU 526 N 0.02 0.87 -0.62 2.42 3.38 -1.98 0.83 115.31 120.22 1dpd h LEU 526 Ca -0.39 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.33 1dpd h LEU 526 Cb 1.29 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1dpd h LEU 526 CO 0.46 0.79 -0.47 -0.07 0.09 0.00 0.00 178.44 179.24 1dpd h LEU 527 N 0.90 0.00 -0.06 1.67 3.38 -1.98 -0.79 115.31 118.44 1dpd h LEU 527 Ca 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1dpd h LEU 527 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1dpd h LEU 527 CO -0.02 0.47 -0.00 1.56 0.09 0.00 0.00 178.44 180.54 1dpd h GLN 528 N 0.00 0.10 -0.45 1.13 4.20 -1.67 -1.49 115.11 116.93 1dpd h GLN 528 Ca -0.00 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 1dpd h GLN 528 Cb 1.10 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.85 1dpd h GLN 528 CO 0.06 0.38 0.01 -0.07 -0.67 0.00 0.00 178.83 178.54 1dpd h LEU 529 N -0.19 0.69 -0.73 1.46 3.38 -0.80 -2.10 115.31 117.02 1dpd h LEU 529 Ca 0.02 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1dpd h LEU 529 Cb 0.33 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1dpd h LEU 529 CO 0.00 0.76 0.48 0.00 0.09 0.00 0.00 178.44 179.77 1dpd h ALA 530 N 1.33 0.93 -0.05 1.53 0.00 -0.93 0.06 119.26 122.13 1dpd h ALA 530 Ca 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1dpd h ALA 530 Cb 0.41 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1dpd h ALA 530 CO 0.02 0.33 0.01 0.00 0.00 0.00 0.00 179.25 179.60 1dpd h ALA 531 N 1.28 0.07 -0.48 0.00 0.00 -0.84 -2.81 119.26 116.47 1dpd h ALA 531 Ca 0.27 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1dpd h ALA 531 Cb -0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1dpd h ALA 531 CO -0.07 -0.28 0.01 1.49 0.00 0.00 0.00 179.25 180.40 1dpd h GLU 532 N -0.17 0.84 -0.39 0.00 4.81 -1.27 -1.56 114.58 116.84 1dpd h GLU 532 Ca 0.02 -0.26 0.01 0.00 -0.13 0.00 0.00 59.36 59.00 1dpd h GLU 532 Cb 0.29 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1dpd h GLU 532 CO 0.00 0.88 0.23 0.00 -0.73 0.00 0.00 179.01 179.40 1dpd h ALA 533 N 0.93 0.49 -0.78 2.92 0.00 -1.02 -0.91 119.26 120.88 1dpd h ALA 533 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1dpd h ALA 533 Cb 0.50 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1dpd h ALA 533 CO 0.02 -0.10 0.49 0.00 0.00 0.00 0.00 179.25 179.66 1dpd h ALA 534 N 1.17 0.99 0.33 0.00 0.00 -1.33 -1.17 119.26 119.25 1dpd h ALA 534 Ca 0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1dpd h ALA 534 Cb -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1dpd h ALA 534 CO -0.07 0.43 -0.16 1.49 0.00 0.00 0.00 179.25 180.95 1dpd h GLU 535 N 1.06 -0.43 -0.84 0.00 4.81 -0.96 -1.90 114.58 116.33 1dpd h GLU 535 Ca 0.28 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.59 1dpd h GLU 535 Cb -0.08 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 1dpd h GLU 535 CO -0.06 -0.19 0.55 -0.07 -0.73 0.00 0.00 179.01 178.51 1dpd h LEU 536 N -0.59 0.86 -0.39 1.64 3.38 -0.92 0.16 115.31 119.45 1dpd h LEU 536 Ca -0.05 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1dpd h LEU 536 Cb 0.43 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1dpd h LEU 536 CO 0.07 0.58 0.03 0.00 0.09 0.00 0.00 178.44 179.21 1dpd h ALA 537 N 1.53 0.52 -0.07 1.53 0.00 -1.10 0.45 119.26 122.11 1dpd h ALA 537 Ca 0.35 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1dpd h ALA 537 Cb 0.11 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1dpd h ALA 537 CO -0.11 0.26 0.04 1.05 0.00 0.00 0.00 179.25 180.48 1dpd h GLU 538 N 0.50 0.10 -0.69 0.00 9.09 -0.46 -0.67 114.58 122.45 1dpd h GLU 538 Ca 0.11 -0.01 0.05 0.00 0.05 0.00 0.00 59.36 59.56 1dpd h GLU 538 Cb 0.42 -0.02 -0.04 0.00 -1.65 0.00 0.00 28.75 27.46 1dpd h GLU 538 CO 0.01 0.17 0.45 0.87 0.05 0.00 0.00 179.01 180.57 1dpd h LYS 539 N 0.00 0.75 -0.26 1.06 1.57 -0.85 -1.22 116.57 117.62 1dpd h LYS 539 Ca 0.02 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1dpd h LYS 539 Cb 0.10 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1dpd h LYS 539 CO -0.00 0.49 0.08 0.00 -0.57 0.00 0.00 179.45 179.45 1dpd h ALA 540 N 1.61 0.34 -0.13 3.86 0.00 -0.23 -0.11 119.26 124.60 1dpd h ALA 540 Ca 0.29 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1dpd h ALA 540 Cb 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1dpd h ALA 540 CO -0.09 -0.04 -0.30 0.00 0.00 0.00 0.00 179.25 178.82 1dpd h ARG 541 N 0.25 0.25 -0.81 0.00 3.08 -0.33 -2.85 114.38 113.97 1dpd h ARG 541 Ca 0.08 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 1dpd h ARG 541 Cb 0.23 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 1dpd h ARG 541 CO -0.00 0.54 0.16 0.43 -1.07 0.00 0.00 179.97 180.02 1dpd n SER 542 N -4.12 4.03 -1.11 7.04 7.64 -0.54 -4.92 113.62 121.65 1dpd n SER 542 Ca -0.01 -2.81 -0.08 0.00 1.01 0.00 0.00 58.87 56.98 1dpd n SER 542 Cb 0.40 -0.67 -0.03 0.00 -1.01 0.00 0.00 64.21 62.90 1dpd n SER 542 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1dpd n LYS 543 N 0.06 -1.27 -0.48 1.43 4.01 -1.05 -4.77 118.16 116.09 1dpd n LYS 543 Ca 0.27 0.47 0.10 0.00 -0.51 0.00 0.00 58.31 58.64 1dpd n LYS 543 Cb 1.05 -4.54 0.33 0.00 -0.51 0.00 0.00 35.03 31.37 1dpd n LYS 543 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1dpd n LYS 544 N -1.35 3.13 -2.73 1.97 5.02 -0.08 -4.89 118.16 119.22 1dpd n LYS 544 Ca -0.08 -2.64 -0.43 0.00 -2.02 0.00 0.00 58.31 53.14 1dpd n LYS 544 Cb 0.27 -1.71 -0.03 0.00 -0.02 0.00 0.00 35.03 33.54 1dpd n LYS 544 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1dpd s LEU 545 N -1.38 3.95 0.18 -0.35 2.96 -1.05 -4.90 118.68 118.09 1dpd s LEU 545 Ca 0.48 0.79 -0.30 0.00 -0.22 0.00 0.00 54.13 54.89 1dpd s LEU 545 Cb 0.28 -3.39 -0.08 0.00 0.50 0.00 0.00 46.19 43.51 1dpd s LEU 545 CO 0.28 -0.87 1.11 -0.83 -1.32 0.00 0.00 176.35 174.72 1dpd s GLY 546 N 1.79 2.85 0.61 7.98 0.00 -1.26 -4.92 107.32 114.37 1dpd s GLY 546 Ca 0.41 0.83 0.16 0.00 0.00 0.00 0.00 44.72 46.12 1dpd s GLY 546 CO 0.17 1.66 1.46 0.00 0.00 0.00 0.00 173.10 176.40 1dpd h ALA 547 N 5.04 1.56 0.04 3.20 0.00 -1.98 0.15 119.26 127.26 1dpd h ALA 547 Ca -0.44 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.48 1dpd h ALA 547 Cb 1.21 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1dpd h ALA 547 CO 0.72 -0.56 -0.13 0.22 0.00 0.00 0.00 179.25 179.50 1dpd h ASP 548 N 0.00 -0.37 0.00 0.00 3.58 -1.99 -2.77 116.42 114.87 1dpd h ASP 548 Ca 0.00 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1dpd h ASP 548 Cb 1.17 0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.37 1dpd h ASP 548 CO 0.00 -0.19 0.00 0.00 -2.88 0.00 0.00 179.24 176.17 1dpd n ALA 549 N -2.40 2.17 -0.98 -0.78 0.00 0.51 -1.99 120.51 117.04 1dpd n ALA 549 Ca -0.06 -0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.36 1dpd n ALA 549 Cb 0.18 -1.22 0.32 0.00 0.00 0.00 0.00 19.45 18.73 1dpd n ALA 549 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1dpd n MET 550 N -0.87 3.80 -4.33 0.00 2.81 -1.05 -0.78 117.12 116.72 1dpd n MET 550 Ca 0.10 -3.02 -0.20 0.00 -1.81 0.00 0.00 57.70 52.78 1dpd n MET 550 Cb 0.05 -2.06 -0.11 0.00 -0.71 0.00 0.00 33.22 30.39 1dpd n MET 550 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1dpd s GLN 551 N -2.84 1.26 -1.30 0.03 -0.21 -0.84 -4.85 119.66 110.92 1dpd s GLN 551 Ca 0.49 -1.45 -0.08 0.00 0.02 0.00 0.00 55.36 54.34 1dpd s GLN 551 Cb 0.39 -1.20 0.01 0.00 1.00 0.00 0.00 33.01 33.20 1dpd s GLN 551 CO 0.12 0.23 1.13 0.41 -2.12 0.00 0.00 175.29 175.06 1dpd n GLY 552 N 0.07 -0.48 3.83 3.09 0.00 -1.26 -4.89 105.19 105.55 1dpd n GLY 552 Ca -0.11 0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1dpd n GLY 552 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dpd s ALA 553 N -3.32 2.98 -0.15 4.61 0.00 -1.26 -4.68 121.76 119.95 1dpd s ALA 553 Ca 0.50 0.22 0.15 0.00 0.00 0.00 0.00 51.96 52.84 1dpd s ALA 553 Cb -0.22 -3.15 -0.22 0.00 0.00 0.00 0.00 23.12 19.53 1dpd s ALA 553 CO 0.71 -0.41 0.39 0.00 0.00 0.00 0.00 175.76 176.45 1dpd s PHE 555 N -2.94 -0.55 -0.02 0.00 5.36 -1.24 -4.53 117.98 114.05 1dpd s PHE 555 Ca -0.04 0.48 0.03 0.00 -0.96 0.00 0.00 56.93 56.45 1dpd s PHE 555 Cb 0.10 0.53 -0.00 0.00 -0.34 0.00 0.00 43.02 43.31 1dpd s PHE 555 CO 0.63 -0.79 -0.12 0.99 -1.46 0.00 0.00 175.22 174.47 1dpd s THR 556 N -3.23 0.96 -0.14 0.12 2.01 -1.25 -1.04 115.64 113.06 1dpd s THR 556 Ca -0.01 -0.49 -0.04 0.00 0.31 0.00 0.00 61.69 61.46 1dpd s THR 556 Cb -0.01 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 1dpd s THR 556 CO -0.08 0.28 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.49 1dpd s ILE 557 N -0.09 4.24 -0.27 1.82 1.01 -0.36 -1.00 121.20 126.53 1dpd s ILE 557 Ca 0.01 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.43 1dpd s ILE 557 Cb -0.07 -2.84 0.07 0.00 0.01 0.00 0.00 42.46 39.63 1dpd s ILE 557 CO 0.00 0.52 -0.03 0.00 0.00 0.00 0.00 174.94 175.44 1dpd s ALA 558 N -0.05 2.31 -0.24 9.38 0.00 0.52 -1.90 121.76 131.77 1dpd s ALA 558 Ca 0.03 -1.78 -0.07 0.00 0.00 0.00 0.00 51.96 50.14 1dpd s ALA 558 Cb -0.13 -1.62 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 1dpd s ALA 558 CO 0.02 -1.36 0.07 0.45 0.00 0.00 0.00 175.76 174.94 1dpd s SER 559 N 1.22 5.23 0.00 0.00 0.15 -1.26 -1.48 113.70 117.56 1dpd s SER 559 Ca -0.01 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.49 1dpd s SER 559 Cb -0.19 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 1dpd s SER 559 CO -0.08 0.00 0.96 0.18 1.20 0.00 0.00 173.24 175.50 1dpd n LEU 560 N 4.67 1.91 -0.10 3.45 4.77 0.40 -4.73 117.00 127.37 1dpd n LEU 560 Ca -0.16 -1.91 0.25 0.00 -0.03 0.00 0.00 56.01 54.16 1dpd n LEU 560 Cb 0.52 0.00 0.71 0.00 -2.33 0.00 0.00 43.42 42.32 1dpd n LEU 560 CO 0.32 0.48 1.23 1.23 -1.33 0.00 0.00 177.39 179.31 1dpd h GLY 561 N 0.00 0.00 1.51 -0.72 0.00 -1.63 0.16 103.07 102.40 1dpd h GLY 561 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dpd h GLY 561 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 176.54 174.15 1dpd n HIS 562 N -4.30 0.00 0.01 5.60 1.44 -1.26 -4.07 115.22 112.64 1dpd n HIS 562 Ca 0.15 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.84 1dpd n HIS 562 Cb 0.81 -0.26 -0.01 0.00 0.12 0.00 0.00 29.99 30.65 1dpd n HIS 562 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1dpd n ILE 563 N -1.26 0.67 -1.93 0.61 5.41 0.53 -5.15 119.36 118.24 1dpd n ILE 563 Ca 0.10 0.17 0.00 0.00 1.00 0.00 0.00 62.75 64.01 1dpd n ILE 563 Cb 0.14 -1.59 0.00 0.00 -0.71 0.00 0.00 39.64 37.48 1dpd n ILE 563 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1dpd n GLY 564 N 3.07 -2.08 0.00 7.39 0.00 -0.89 -5.06 105.19 107.62 1dpd n GLY 564 Ca -0.03 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1dpd n GLY 564 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dpd n GLY 565 N -0.46 1.87 0.07 -0.02 0.00 -1.26 -4.20 105.19 101.20 1dpd n GLY 565 Ca 0.00 -1.76 -0.02 0.00 0.00 0.00 0.00 46.02 44.24 1dpd n GLY 565 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1dpd n THR 566 N 1.75 0.98 0.00 2.61 -1.04 -1.26 -2.04 114.28 115.28 1dpd n THR 566 Ca 0.00 -0.72 0.00 0.00 -2.04 0.00 0.00 64.05 61.29 1dpd n THR 566 Cb 0.00 -0.44 0.00 0.00 -1.82 0.00 0.00 70.33 68.07 1dpd n THR 566 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dpd n ALA 567 N -2.52 0.00 -3.30 2.41 0.00 -1.26 -4.78 120.51 111.06 1dpd n ALA 567 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 1dpd n ALA 567 Cb 0.91 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.34 1dpd n ALA 567 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1dpd s PHE 568 N -2.00 0.50 -0.73 0.00 -0.71 -1.26 -5.06 117.98 108.72 1dpd s PHE 568 Ca 0.00 -0.91 0.01 0.00 -1.04 0.00 0.00 56.93 54.99 1dpd s PHE 568 Cb 0.00 0.31 0.18 0.00 -1.21 0.00 0.00 43.02 42.30 1dpd s PHE 568 CO 0.00 -1.22 0.55 0.95 -1.34 0.00 0.00 175.22 174.16 1dpd s THR 569 N -3.22 3.52 0.88 -4.49 -4.23 -1.26 -4.76 115.64 102.08 1dpd s THR 569 Ca 0.22 -3.74 -0.11 0.00 -1.18 0.00 0.00 61.69 56.89 1dpd s THR 569 Cb -0.02 -3.27 0.12 0.00 1.34 0.00 0.00 72.50 70.67 1dpd s THR 569 CO 0.13 -0.98 1.10 -2.16 -0.54 0.00 0.00 174.62 172.18 1dpd s PRO 570 N -0.98 1.34 -0.21 3.99 0.04 -1.26 -5.01 135.00 132.91 1dpd s PRO 570 Ca 0.23 1.19 -0.10 0.00 0.04 0.00 0.00 61.00 62.36 1dpd s PRO 570 Cb -0.12 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 1dpd s PRO 570 CO -0.10 -2.29 0.13 0.42 0.04 0.00 0.00 177.00 175.20 1dpd s ILE 571 N -2.79 5.32 0.16 0.56 1.01 -1.26 -4.68 121.20 119.53 1dpd s ILE 571 Ca 0.64 0.16 -0.34 0.00 0.00 0.00 0.00 60.65 61.12 1dpd s ILE 571 Cb -0.20 -3.45 -0.14 0.00 0.01 0.00 0.00 42.46 38.68 1dpd s ILE 571 CO 0.58 0.41 1.52 0.52 0.00 0.00 0.00 174.94 177.97 1dpd n VAL 572 N 3.80 0.14 -2.81 2.92 0.31 -1.26 -4.91 118.33 116.52 1dpd n VAL 572 Ca -0.16 -0.03 -0.43 0.00 -0.01 0.00 0.00 64.34 63.71 1dpd n VAL 572 Cb 0.52 -1.44 -0.01 0.00 -0.91 0.00 0.00 33.84 32.00 1dpd n VAL 572 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1dpd s ASN 573 N 0.77 6.79 0.32 4.52 0.01 -1.26 -4.83 114.94 121.26 1dpd s ASN 573 Ca 0.78 -2.34 -0.29 0.00 -0.71 0.00 0.00 52.86 50.30 1dpd s ASN 573 Cb -0.71 -2.46 -0.12 0.00 0.41 0.00 0.00 41.25 38.37 1dpd s ASN 573 CO 0.41 -1.05 1.50 0.00 -1.51 0.00 0.00 177.10 176.45 1dpd n ALA 574 N 6.99 2.18 0.55 0.60 0.00 -1.26 -0.82 120.51 128.75 1dpd n ALA 574 Ca 0.34 0.37 0.06 0.00 0.00 0.00 0.00 53.44 54.21 1dpd n ALA 574 Cb 0.47 -2.40 0.19 0.00 0.00 0.00 0.00 19.45 17.70 1dpd n ALA 574 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1dpd n PRO 575 N 1.40 2.19 -1.10 0.00 -0.04 -1.26 -4.98 135.00 131.21 1dpd n PRO 575 Ca 0.06 -1.50 -0.29 0.00 -0.04 0.00 0.00 63.50 61.73 1dpd n PRO 575 Cb 0.37 -1.45 0.17 0.00 -0.04 0.00 0.00 33.50 32.55 1dpd n PRO 575 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1dpd s GLU 576 N -1.57 0.53 0.00 0.54 2.02 0.00 -4.48 118.70 115.74 1dpd s GLU 576 Ca 0.27 0.66 0.07 0.00 0.02 0.00 0.00 54.97 55.99 1dpd s GLU 576 Cb 0.16 -1.74 0.00 0.00 0.10 0.00 0.00 34.13 32.66 1dpd s GLU 576 CO 0.16 -2.70 0.53 1.55 0.02 0.00 0.00 175.26 174.82 1dpd n VAL 577 N -4.17 0.00 -3.57 2.63 3.14 -1.26 -4.68 118.33 110.42 1dpd n VAL 577 Ca 0.06 -0.44 -0.11 0.00 -2.96 0.00 0.00 64.34 60.89 1dpd n VAL 577 Cb 0.56 1.08 -0.03 0.00 -1.06 0.00 0.00 33.84 34.40 1dpd n VAL 577 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1dpd s ALA 578 N -0.99 -1.27 -0.12 1.55 0.00 -1.26 -1.10 121.76 118.56 1dpd s ALA 578 Ca 0.06 0.15 -0.11 0.00 0.00 0.00 0.00 51.96 52.06 1dpd s ALA 578 Cb 0.05 0.83 0.03 0.00 0.00 0.00 0.00 23.12 24.04 1dpd s ALA 578 CO 0.16 -0.76 0.31 -1.50 0.00 0.00 0.00 175.76 173.96 1dpd s ILE 579 N -3.80 -0.00 -0.25 0.00 2.07 -0.87 -3.92 121.20 114.43 1dpd s ILE 579 Ca 0.04 0.01 -0.08 0.00 -1.41 0.00 0.00 60.65 59.21 1dpd s ILE 579 Cb -0.01 -0.44 -0.03 0.00 0.13 0.00 0.00 42.46 42.11 1dpd s ILE 579 CO -0.09 0.00 0.08 -0.22 -1.91 0.00 0.00 174.94 172.80 1dpd s LEU 580 N 0.25 3.53 0.04 8.50 0.20 -0.17 -2.08 118.68 128.94 1dpd s LEU 580 Ca -0.01 -0.17 -0.10 0.00 0.69 0.00 0.00 54.13 54.55 1dpd s LEU 580 Cb -0.03 -1.95 -0.05 0.00 -0.43 0.00 0.00 46.19 43.73 1dpd s LEU 580 CO -0.00 -0.02 0.36 -0.83 -0.29 0.00 0.00 176.35 175.56 1dpd s GLY 581 N 1.55 2.33 -0.06 7.98 0.00 0.99 -0.36 107.32 119.75 1dpd s GLY 581 Ca 0.06 -0.41 0.02 0.00 0.00 0.00 0.00 44.72 44.39 1dpd s GLY 581 CO 0.04 -0.17 -0.12 0.14 0.00 0.00 0.00 173.10 172.99 1dpd s VAL 582 N -1.30 1.10 0.00 1.40 1.01 -0.55 -0.40 120.40 121.65 1dpd s VAL 582 Ca 0.29 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1dpd s VAL 582 Cb -0.14 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.24 1dpd s VAL 582 CO 0.16 0.34 0.00 -1.20 0.00 0.00 0.00 175.10 174.41 1dpd n SER 583 N 3.74 1.36 -4.74 3.32 7.64 -0.95 -0.45 113.62 123.54 1dpd n SER 583 Ca -0.22 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.25 1dpd n SER 583 Cb 0.52 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.67 1dpd n SER 583 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1dpd s LYS 584 N 1.63 4.76 0.33 1.43 2.20 -0.86 -3.94 119.74 125.29 1dpd s LYS 584 Ca 0.00 1.44 -0.25 0.00 -0.36 0.00 0.00 55.97 56.80 1dpd s LYS 584 Cb 0.00 -3.33 -0.10 0.00 -1.51 0.00 0.00 37.83 32.89 1dpd s LYS 584 CO 0.00 0.37 0.94 0.00 -0.36 0.00 0.00 175.35 176.30 1dpd s ALA 585 N -0.58 3.19 0.04 3.13 0.00 -1.26 -4.38 121.76 121.91 1dpd s ALA 585 Ca 0.43 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1dpd s ALA 585 Cb -0.24 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1dpd s ALA 585 CO 0.30 0.17 -0.04 -1.12 0.00 0.00 0.00 175.76 175.07 1dpd s SER 586 N -1.69 0.54 0.09 0.00 0.01 -1.04 -4.94 113.70 106.67 1dpd s SER 586 Ca 0.51 -0.70 -0.30 0.00 1.31 0.00 0.00 55.95 56.77 1dpd s SER 586 Cb -0.17 0.11 -0.06 0.00 0.21 0.00 0.00 66.02 66.11 1dpd s SER 586 CO 0.22 -0.38 1.09 -0.32 0.41 0.00 0.00 173.24 174.26 1dpd s MET 587 N -2.42 4.55 0.02 12.44 1.75 -1.26 -1.15 119.30 133.22 1dpd s MET 587 Ca -0.05 1.64 0.00 0.00 -1.25 0.00 0.00 55.69 56.03 1dpd s MET 587 Cb -0.03 -3.35 -0.02 0.00 2.84 0.00 0.00 34.83 34.27 1dpd s MET 587 CO -0.04 -0.04 -0.03 -0.65 -0.65 0.00 0.00 175.02 173.61 1dpd s GLN 588 N 0.42 0.27 0.05 4.11 -1.52 0.41 -4.94 119.66 118.46 1dpd s GLN 588 Ca 0.53 -0.47 -0.29 0.00 -1.95 0.00 0.00 55.36 53.18 1dpd s GLN 588 Cb -0.27 0.02 -0.04 0.00 -0.22 0.00 0.00 33.01 32.50 1dpd s GLN 588 CO 0.31 -0.02 0.94 -1.25 -0.25 0.00 0.00 175.29 175.02 1dpd s PRO 589 N -1.08 4.61 -0.06 2.91 0.04 -1.26 -0.58 135.00 139.58 1dpd s PRO 589 Ca -0.11 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1dpd s PRO 589 Cb -0.07 -3.42 0.02 0.00 0.04 0.00 0.00 34.50 31.07 1dpd s PRO 589 CO -0.01 0.10 -0.03 0.08 0.04 0.00 0.00 177.00 177.18 1dpd s VAL 590 N 0.47 0.52 0.01 -0.36 1.01 0.25 -4.89 120.40 117.41 1dpd s VAL 590 Ca 0.48 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 1dpd s VAL 590 Cb -0.22 -0.59 -0.07 0.00 0.00 0.00 0.00 36.38 35.50 1dpd s VAL 590 CO 0.28 0.25 1.68 0.86 0.00 0.00 0.00 175.10 178.17 1dpd s TRP 591 N 1.28 2.09 -0.38 5.22 -0.11 -1.26 -0.73 118.94 125.06 1dpd s TRP 591 Ca -0.05 0.18 0.09 0.00 1.22 0.00 0.00 56.10 57.54 1dpd s TRP 591 Cb -0.14 -3.96 0.64 0.00 -1.50 0.00 0.00 33.47 28.51 1dpd s TRP 591 CO -0.02 -4.02 1.59 -0.40 -4.62 0.00 0.00 176.95 169.49 1dpd n ASP 592 N 6.52 4.52 0.00 5.86 5.75 0.49 -4.86 116.55 134.83 1dpd n ASP 592 Ca 0.17 -2.93 0.00 0.00 -0.01 0.00 0.00 54.79 52.02 1dpd n ASP 592 Cb 0.42 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 1dpd n ASP 592 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dpd n GLY 593 N 0.11 3.06 0.00 6.12 0.00 -1.26 -4.67 105.19 108.55 1dpd n GLY 593 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1dpd n GLY 593 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1dpd n LYS 594 N -1.07 1.92 -3.80 1.61 3.00 -1.26 -5.13 118.16 113.43 1dpd n LYS 594 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.24 1dpd n LYS 594 Cb 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 35.03 34.39 1dpd n LYS 594 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1dpd s ALA 595 N -1.04 -1.31 -0.24 3.14 0.00 -1.26 -5.14 121.76 115.92 1dpd s ALA 595 Ca 0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 51.96 51.64 1dpd s ALA 595 Cb 0.00 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.91 1dpd s ALA 595 CO 0.00 -1.01 0.37 -0.06 0.00 0.00 0.00 175.76 175.06 1dpd s PHE 596 N -3.83 3.31 -0.13 0.00 0.08 -1.26 -0.38 117.98 115.78 1dpd s PHE 596 Ca 0.10 0.50 -0.07 0.00 0.12 0.00 0.00 56.93 57.58 1dpd s PHE 596 Cb -0.05 -2.53 -0.04 0.00 -0.57 0.00 0.00 43.02 39.83 1dpd s PHE 596 CO 0.04 -0.10 0.11 -0.65 -0.10 0.00 0.00 175.22 174.52 1dpd s GLN 597 N 1.64 3.48 -0.26 0.44 1.11 0.09 -4.78 119.66 121.38 1dpd s GLN 597 Ca 0.16 -0.19 -0.29 0.00 0.01 0.00 0.00 55.36 55.05 1dpd s GLN 597 Cb -0.15 -3.16 -0.00 0.00 -1.01 0.00 0.00 33.01 28.69 1dpd s GLN 597 CO 0.08 0.69 1.32 -1.25 0.01 0.00 0.00 175.29 176.14 1dpd s PRO 598 N -0.79 3.99 0.13 2.91 0.04 -1.26 -0.59 135.00 139.43 1dpd s PRO 598 Ca 0.13 1.39 0.10 0.00 0.04 0.00 0.00 61.00 62.66 1dpd s PRO 598 Cb -0.12 -3.86 -0.04 0.00 0.04 0.00 0.00 34.50 30.52 1dpd s PRO 598 CO 0.03 -1.03 -0.22 1.03 0.04 0.00 0.00 177.00 176.85 1dpd s ARG 599 N 4.04 1.60 -0.28 4.56 1.81 0.25 -4.88 118.95 126.05 1dpd s ARG 599 Ca 0.57 -1.28 -0.22 0.00 -1.72 0.00 0.00 55.73 53.08 1dpd s ARG 599 Cb -0.19 -2.00 -0.01 0.00 -0.45 0.00 0.00 34.95 32.30 1dpd s ARG 599 CO 0.21 0.46 0.73 -1.17 -0.68 0.00 0.00 175.30 174.86 1dpd s LEU 600 N -2.14 4.08 -0.13 2.53 2.96 -1.26 -0.44 118.68 124.28 1dpd s LEU 600 Ca 0.16 0.74 -0.00 0.00 -0.22 0.00 0.00 54.13 54.81 1dpd s LEU 600 Cb -0.10 -3.01 -0.02 0.00 0.50 0.00 0.00 46.19 43.56 1dpd s LEU 600 CO 0.08 -0.50 -0.12 -0.04 -1.32 0.00 0.00 176.35 174.45 1dpd s MET 601 N 2.76 3.38 -0.26 1.98 -1.94 -0.30 -0.96 119.30 123.96 1dpd s MET 601 Ca 0.30 -0.67 -0.10 0.00 -1.71 0.00 0.00 55.69 53.52 1dpd s MET 601 Cb -0.15 -2.65 -0.05 0.00 2.01 0.00 0.00 34.83 33.99 1dpd s MET 601 CO 0.10 0.24 0.16 -1.17 -0.01 0.00 0.00 175.02 174.33 1dpd s LEU 602 N 0.29 3.94 -0.03 -0.03 2.96 0.71 -2.50 118.68 124.03 1dpd s LEU 602 Ca -0.09 -0.01 -0.30 0.00 -0.22 0.00 0.00 54.13 53.51 1dpd s LEU 602 Cb -0.15 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1dpd s LEU 602 CO 0.05 -0.00 1.11 -2.84 -1.32 0.00 0.00 176.35 173.35 1dpd s PRO 603 N 1.47 4.43 -0.04 0.98 0.02 -1.26 -1.18 135.00 139.42 1dpd s PRO 603 Ca 0.07 1.58 0.05 0.00 0.02 0.00 0.00 61.00 62.72 1dpd s PRO 603 Cb -0.15 -3.48 -0.03 0.00 0.02 0.00 0.00 34.50 30.86 1dpd s PRO 603 CO 0.08 -0.29 -0.17 -0.51 -0.33 0.00 0.00 177.00 175.78 1dpd s LEU 604 N 1.63 2.61 -0.30 -5.54 1.43 -0.33 -2.23 118.68 115.95 1dpd s LEU 604 Ca 0.54 -0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 53.37 1dpd s LEU 604 Cb -0.24 -1.52 0.10 0.00 0.03 0.00 0.00 46.19 44.56 1dpd s LEU 604 CO 0.24 0.33 0.09 -0.44 0.23 0.00 0.00 176.35 176.81 1dpd s SER 605 N -0.77 3.97 -0.53 2.29 0.01 0.46 -2.24 113.70 116.89 1dpd s SER 605 Ca 0.12 -1.58 -0.22 0.00 1.31 0.00 0.00 55.95 55.57 1dpd s SER 605 Cb -0.10 -0.86 0.05 0.00 0.21 0.00 0.00 66.02 65.31 1dpd s SER 605 CO 0.01 -0.40 0.82 -0.22 0.41 0.00 0.00 173.24 173.85 1dpd s LEU 606 N 1.62 4.43 0.19 2.44 2.96 0.23 -0.01 118.68 130.55 1dpd s LEU 606 Ca 0.09 -0.55 -0.20 0.00 -0.22 0.00 0.00 54.13 53.25 1dpd s LEU 606 Cb -0.17 -2.69 -0.08 0.00 0.50 0.00 0.00 46.19 43.75 1dpd s LEU 606 CO -0.24 -1.08 0.70 -0.44 -1.32 0.00 0.00 176.35 173.97 1dpd s SER 607 N 2.74 7.07 0.13 3.68 0.01 -0.88 -0.66 113.70 125.79 1dpd s SER 607 Ca 0.25 1.40 -0.02 0.00 1.31 0.00 0.00 55.95 58.88 1dpd s SER 607 Cb -0.15 -2.41 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 1dpd s SER 607 CO 0.17 0.08 0.09 -0.72 0.41 0.00 0.00 173.24 173.27 1dpd s TYR 608 N -1.44 0.78 -0.61 2.43 1.13 -0.21 -2.05 117.35 117.39 1dpd s TYR 608 Ca 0.40 -1.16 -0.24 0.00 -1.41 0.00 0.00 57.07 54.66 1dpd s TYR 608 Cb -0.17 -0.41 0.05 0.00 -1.10 0.00 0.00 41.96 40.32 1dpd s TYR 608 CO 0.21 -0.54 1.02 0.34 -2.51 0.00 0.00 175.55 174.07 1dpd s ASP 609 N -3.03 6.27 0.30 -0.18 -1.08 -0.26 -2.54 116.67 116.15 1dpd s ASP 609 Ca 0.22 -0.51 0.23 0.00 -0.52 0.00 0.00 52.55 51.97 1dpd s ASP 609 Cb 0.07 -2.46 1.10 0.00 -1.46 0.00 0.00 42.92 40.17 1dpd s ASP 609 CO 0.01 -1.40 1.70 1.57 0.52 0.00 0.00 175.17 177.57 1dpd n HIS 610 N 7.90 0.81 0.13 -5.34 -0.00 -0.59 -1.09 115.22 117.04 1dpd n HIS 610 Ca 0.01 0.36 0.01 0.00 -0.00 0.00 0.00 57.72 58.10 1dpd n HIS 610 Cb 0.47 -1.08 0.34 0.00 -0.00 0.00 0.00 29.99 29.71 1dpd n HIS 610 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1dpd h ARG 611 N 0.00 0.17 0.00 1.57 3.08 -1.92 -3.32 114.38 113.96 1dpd h ARG 611 Ca 0.00 -0.06 -0.34 0.00 0.07 0.00 0.00 59.98 59.65 1dpd h ARG 611 Cb 0.19 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.17 1dpd h ARG 611 CO 0.00 0.44 -2.30 0.28 -1.07 0.00 0.00 179.97 177.33 1dpd n VAL 612 N -4.16 1.30 -4.84 2.04 0.31 -0.49 -4.96 118.33 107.52 1dpd n VAL 612 Ca -0.01 -0.49 -0.33 0.00 -0.01 0.00 0.00 64.34 63.50 1dpd n VAL 612 Cb 0.36 -1.34 -0.15 0.00 -0.91 0.00 0.00 33.84 31.81 1dpd n VAL 612 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1dpd s ILE 613 N -2.45 2.85 0.44 2.52 1.01 -0.25 -5.07 121.20 120.25 1dpd s ILE 613 Ca -0.31 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.62 1dpd s ILE 613 Cb 0.08 -2.18 -0.00 0.00 0.01 0.00 0.00 42.46 40.37 1dpd s ILE 613 CO 0.52 0.53 0.66 0.54 0.00 0.00 0.00 174.94 177.18 1dpd s ASN 614 N 0.37 5.86 0.15 3.58 4.22 -1.26 -4.06 114.94 123.80 1dpd s ASN 614 Ca -0.12 0.27 -0.26 0.00 -2.14 0.00 0.00 52.86 50.61 1dpd s ASN 614 Cb -0.16 -1.54 0.01 0.00 1.28 0.00 0.00 41.25 40.84 1dpd s ASN 614 CO 0.06 -0.67 1.59 1.23 -2.04 0.00 0.00 177.10 177.27 1dpd h GLY 615 N 0.44 -0.46 0.43 0.45 0.00 -2.00 -1.94 103.07 100.00 1dpd h GLY 615 Ca -0.46 0.47 0.12 0.00 0.00 0.00 0.00 47.33 47.46 1dpd h GLY 615 CO 0.57 -0.20 0.58 0.00 0.00 0.00 0.00 176.54 177.48 1dpd h ALA 616 N 0.49 1.43 -0.55 3.60 0.00 -1.99 -1.44 119.26 120.80 1dpd h ALA 616 Ca 0.13 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1dpd h ALA 616 Cb 0.57 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1dpd h ALA 616 CO -0.50 0.15 0.02 0.00 0.00 0.00 0.00 179.25 178.92 1dpd h ALA 617 N 1.53 1.00 -0.08 0.00 0.00 -1.75 -1.66 119.26 118.30 1dpd h ALA 617 Ca 0.48 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 1dpd h ALA 617 Cb 0.51 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1dpd h ALA 617 CO -0.28 0.62 -0.72 0.00 0.00 0.00 0.00 179.25 178.86 1dpd h ALA 618 N 1.16 0.61 -0.58 0.00 0.00 -1.06 -0.84 119.26 118.55 1dpd h ALA 618 Ca 0.16 -0.61 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1dpd h ALA 618 Cb 0.48 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1dpd h ALA 618 CO 0.02 0.76 0.13 0.00 0.00 0.00 0.00 179.25 180.17 1dpd h ALA 619 N 0.96 1.13 -0.30 0.00 0.00 -1.05 -1.92 119.26 118.08 1dpd h ALA 619 Ca -0.03 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 1dpd h ALA 619 Cb 1.29 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1dpd h ALA 619 CO 0.12 0.58 -0.41 -0.09 0.00 0.00 0.00 179.25 179.45 1dpd h ARG 620 N 0.87 0.73 0.01 0.00 2.43 -1.17 -1.48 114.38 115.77 1dpd h ARG 620 Ca 0.19 -0.39 -0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1dpd h ARG 620 Cb 0.33 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1dpd h ARG 620 CO 0.00 1.01 -0.00 0.35 -1.51 0.00 0.00 179.97 179.81 1dpd h PHE 621 N 0.60 -0.01 0.00 2.20 3.04 -0.72 -0.30 116.94 121.75 1dpd h PHE 621 Ca 0.05 -0.00 -0.10 0.00 3.98 0.00 0.00 57.97 61.90 1dpd h PHE 621 Cb 0.96 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.46 1dpd h PHE 621 CO 0.05 0.24 -0.48 1.79 -2.02 0.00 0.00 178.31 177.89 1dpd h THR 622 N -0.26 1.18 0.07 4.41 1.35 -1.35 -1.22 112.91 117.08 1dpd h THR 622 Ca -0.00 -1.73 -0.00 0.00 -0.55 0.00 0.00 66.41 64.12 1dpd h THR 622 Cb 0.26 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 1dpd h THR 622 CO 0.00 0.47 -0.03 0.50 -0.25 0.00 0.00 175.52 176.21 1dpd h LYS 623 N 0.00 -0.09 -0.79 4.72 3.11 -1.15 0.17 116.57 122.55 1dpd h LYS 623 Ca -0.00 0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.86 1dpd h LYS 623 Cb 0.94 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 32.15 1dpd h LYS 623 CO 0.06 0.18 0.51 0.00 -2.81 0.00 0.00 179.45 177.39 1dpd h ARG 624 N -0.35 1.00 -0.66 1.90 2.47 -0.86 -0.71 114.38 117.17 1dpd h ARG 624 Ca -0.01 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.64 1dpd h ARG 624 Cb 0.30 -0.23 -0.03 0.00 -1.65 0.00 0.00 29.97 28.37 1dpd h ARG 624 CO 0.02 0.66 0.37 1.25 0.56 0.00 0.00 179.97 182.83 1dpd h LEU 625 N 1.03 0.82 -1.04 3.04 5.85 -1.05 0.12 115.31 124.08 1dpd h LEU 625 Ca 0.30 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1dpd h LEU 625 Cb -0.07 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 1dpd h LEU 625 CO -0.08 0.67 0.29 1.23 -0.34 0.00 0.00 178.44 180.22 1dpd h GLY 626 N 0.90 1.05 1.03 3.75 0.00 -0.32 -0.73 103.07 108.75 1dpd h GLY 626 Ca 0.23 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 1dpd h GLY 626 CO -0.04 0.50 0.13 -0.55 0.00 0.00 0.00 176.54 176.58 1dpd h ASP 627 N 0.97 0.95 0.31 0.19 3.32 -0.31 -1.94 116.42 119.90 1dpd h ASP 627 Ca 0.23 -0.25 -0.17 0.00 0.02 0.00 0.00 57.03 56.86 1dpd h ASP 627 Cb 0.15 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1dpd h ASP 627 CO -0.02 0.95 -0.70 -0.07 -1.72 0.00 0.00 179.24 177.67 1dpd h LEU 628 N 0.90 0.41 -0.60 1.55 3.38 -0.25 -3.01 115.31 117.69 1dpd h LEU 628 Ca 0.19 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 1dpd h LEU 628 Cb 0.39 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1dpd h LEU 628 CO 0.01 0.98 -0.58 -0.07 0.09 0.00 0.00 178.44 178.87 1dpd h LEU 629 N 0.24 0.00 -1.05 1.67 3.38 -1.06 -1.72 115.31 116.77 1dpd h LEU 629 Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1dpd h LEU 629 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1dpd h LEU 629 CO 0.12 0.58 -0.48 0.00 0.09 0.00 0.00 178.44 178.75 1dpd h ALA 630 N 1.42 1.21 -1.85 1.53 0.00 -1.33 -3.39 119.26 116.86 1dpd h ALA 630 Ca -0.01 -0.43 -0.37 0.00 0.00 0.00 0.00 54.91 54.10 1dpd h ALA 630 Cb 1.17 -0.08 -0.30 0.00 0.00 0.00 0.00 17.79 18.59 1dpd h ALA 630 CO 0.08 0.60 -0.70 0.34 0.00 0.00 0.00 179.25 179.56 1dpd s ASP 631 N -6.90 0.72 0.08 0.00 -1.08 -1.10 -4.72 116.67 103.67 1dpd s ASP 631 Ca -0.02 -1.87 0.09 0.00 -0.52 0.00 0.00 52.55 50.23 1dpd s ASP 631 Cb 0.14 0.62 0.43 0.00 -1.46 0.00 0.00 42.92 42.65 1dpd s ASP 631 CO 0.74 -0.21 1.27 0.00 0.52 0.00 0.00 175.17 177.50 1dpd n ILE 632 N 3.78 1.53 0.33 4.11 0.13 -0.67 -0.96 119.36 127.62 1dpd n ILE 632 Ca 0.16 0.48 0.14 0.00 -1.10 0.00 0.00 62.75 62.43 1dpd n ILE 632 Cb 0.48 -1.43 0.62 0.00 -0.84 0.00 0.00 39.64 38.47 1dpd n ILE 632 CO 0.00 0.00 0.00 0.03 2.80 0.00 0.00 176.55 179.38 1dpd h ARG 633 N 0.00 0.00 0.00 9.51 3.08 -1.95 -2.15 114.38 122.86 1dpd h ARG 633 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1dpd h ARG 633 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1dpd h ARG 633 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 1dpd n ALA 634 N -1.90 1.65 0.34 0.04 0.00 -0.13 -1.27 120.51 119.23 1dpd n ALA 634 Ca 0.01 0.07 0.15 0.00 0.00 0.00 0.00 53.44 53.67 1dpd n ALA 634 Cb 0.23 -1.37 0.56 0.00 0.00 0.00 0.00 19.45 18.87 1dpd n ALA 634 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1dpd h ILE 635 N 0.00 0.00 0.00 0.00 2.04 -1.62 -2.96 117.51 114.96 1dpd h ILE 635 Ca 0.00 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1dpd h ILE 635 Cb 0.34 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1dpd h ILE 635 CO 0.00 0.00 -0.04 0.18 0.00 0.00 0.00 178.15 178.29 1dpd n LEU 636 N -2.73 0.05 -0.65 1.44 4.32 -0.39 -5.13 117.00 113.90 1dpd n LEU 636 Ca 0.02 0.46 0.08 0.00 -0.02 0.00 0.00 56.01 56.55 1dpd n LEU 636 Cb 0.31 -0.48 0.07 0.00 -1.62 0.00 0.00 43.42 41.69 1dpd n LEU 636 CO 0.25 0.01 0.51 0.00 -1.22 0.00 0.00 177.39 176.94