#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eaf s PRO 396 N 0.00 4.19 0.52 0.38 0.02 -1.26 -5.00 135.00 133.85 1eaf s PRO 396 Ca 0.00 2.46 -0.09 0.00 0.02 0.00 0.00 61.00 63.39 1eaf s PRO 396 Cb 0.00 -3.01 -0.04 0.00 0.02 0.00 0.00 34.50 31.46 1eaf s PRO 396 CO 0.00 -0.44 0.88 -1.25 -0.33 0.00 0.00 177.00 175.86 1eaf s PRO 397 N -1.70 3.62 -0.05 5.54 0.04 -1.26 -5.03 135.00 136.15 1eaf s PRO 397 Ca 0.53 0.47 -0.30 0.00 0.04 0.00 0.00 61.00 61.75 1eaf s PRO 397 Cb -0.44 -2.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.81 1eaf s PRO 397 CO 0.57 -0.32 1.10 0.42 0.04 0.00 0.00 177.00 178.82 1eaf s ILE 398 N -2.85 4.50 0.18 0.56 -1.09 -1.26 -4.99 121.20 116.24 1eaf s ILE 398 Ca 0.51 1.79 -0.33 0.00 -2.23 0.00 0.00 60.65 60.40 1eaf s ILE 398 Cb -0.11 -4.15 -0.16 0.00 -1.58 0.00 0.00 42.46 36.47 1eaf s ILE 398 CO 0.46 0.04 1.15 -2.65 -1.23 0.00 0.00 174.94 172.70 1eaf n PRO 399 N 4.81 1.16 -2.37 2.79 -0.02 -1.26 -4.98 135.00 135.14 1eaf n PRO 399 Ca 0.09 0.41 -0.37 0.00 -2.02 0.00 0.00 63.50 61.61 1eaf n PRO 399 Cb 0.48 -1.90 -0.02 0.00 -0.02 0.00 0.00 33.50 32.03 1eaf n PRO 399 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1eaf s PRO 400 N -0.44 4.01 -0.04 0.52 0.04 -1.26 -5.05 135.00 132.78 1eaf s PRO 400 Ca 0.72 1.71 0.05 0.00 0.04 0.00 0.00 61.00 63.52 1eaf s PRO 400 Cb -0.85 -2.56 -0.01 0.00 0.04 0.00 0.00 34.50 31.13 1eaf s PRO 400 CO 0.53 -0.32 -0.18 0.08 0.04 0.00 0.00 177.00 177.14 1eaf s VAL 401 N -1.53 1.46 -0.92 -0.36 1.01 -1.26 -5.07 120.40 113.73 1eaf s VAL 401 Ca 0.59 -0.75 -0.24 0.00 0.00 0.00 0.00 61.98 61.58 1eaf s VAL 401 Cb -0.27 -1.24 0.03 0.00 0.00 0.00 0.00 36.38 34.90 1eaf s VAL 401 CO 0.34 0.42 1.46 -0.62 0.00 0.00 0.00 175.10 176.70 1eaf s ASP 402 N -0.09 6.25 0.54 3.32 -1.08 -1.26 -4.82 116.67 119.53 1eaf s ASP 402 Ca -0.01 -1.06 0.30 0.00 -0.52 0.00 0.00 52.55 51.26 1eaf s ASP 402 Cb -0.10 -2.57 1.50 0.00 -1.46 0.00 0.00 42.92 40.29 1eaf s ASP 402 CO 0.01 -1.73 2.07 -0.26 0.52 0.00 0.00 175.17 175.78 1eaf h PHE 403 N 10.17 0.00 0.00 -5.34 0.04 -1.97 -2.30 116.94 117.53 1eaf h PHE 403 Ca 0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1eaf h PHE 403 Cb 1.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.18 1eaf h PHE 403 CO 1.23 0.10 0.00 0.00 -0.60 0.00 0.00 178.31 179.04 1eaf n ALA 404 N -2.22 1.96 0.33 2.45 0.00 -1.26 -2.15 120.51 119.62 1eaf n ALA 404 Ca -0.01 -0.08 0.15 0.00 0.00 0.00 0.00 53.44 53.49 1eaf n ALA 404 Cb 0.25 -1.32 0.63 0.00 0.00 0.00 0.00 19.45 19.01 1eaf n ALA 404 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1eaf h LYS 405 N 0.00 0.00 -0.02 0.00 1.57 -1.82 -3.17 116.57 113.13 1eaf h LYS 405 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1eaf h LYS 405 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1eaf h LYS 405 CO 0.00 0.00 -0.09 0.66 -0.57 0.00 0.00 179.45 179.45 1eaf n TYR 406 N -2.62 0.00 -2.00 -1.35 4.01 -0.91 -5.06 117.16 109.23 1eaf n TYR 406 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1eaf n TYR 406 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 1eaf n TYR 406 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1eaf n GLY 407 N 1.01 -0.28 3.74 2.72 0.00 -1.20 -5.12 105.19 106.06 1eaf n GLY 407 Ca 0.09 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 1eaf n GLY 407 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1eaf s GLU 408 N -1.98 4.66 0.28 1.61 2.02 -1.26 -4.25 118.70 119.77 1eaf s GLU 408 Ca 0.00 1.65 0.05 0.00 0.02 0.00 0.00 54.97 56.69 1eaf s GLU 408 Cb 0.00 -3.28 -0.06 0.00 0.10 0.00 0.00 34.13 30.89 1eaf s GLU 408 CO 0.00 0.19 -0.00 0.96 0.02 0.00 0.00 175.26 176.42 1eaf s ILE 409 N -0.48 1.29 -0.10 -1.63 -4.36 -1.26 -5.00 121.20 109.65 1eaf s ILE 409 Ca 0.47 -2.05 -0.05 0.00 -0.26 0.00 0.00 60.65 58.76 1eaf s ILE 409 Cb -0.28 -2.52 0.05 0.00 1.25 0.00 0.00 42.46 40.95 1eaf s ILE 409 CO 0.35 -0.21 0.23 -0.70 0.24 0.00 0.00 174.94 174.84 1eaf s GLU 410 N -3.83 0.17 -0.20 0.37 2.12 -1.26 -5.10 118.70 110.97 1eaf s GLU 410 Ca 0.31 0.55 -0.10 0.00 0.36 0.00 0.00 54.97 56.09 1eaf s GLU 410 Cb 0.06 -0.12 -0.05 0.00 0.26 0.00 0.00 34.13 34.28 1eaf s GLU 410 CO 0.12 -0.19 0.13 -2.00 -0.54 0.00 0.00 175.26 172.78 1eaf s GLU 411 N 1.51 4.19 0.03 4.30 2.12 -1.26 -5.08 118.70 124.51 1eaf s GLU 411 Ca -0.07 -0.22 0.05 0.00 0.36 0.00 0.00 54.97 55.09 1eaf s GLU 411 Cb -0.11 -3.42 -0.02 0.00 0.26 0.00 0.00 34.13 30.84 1eaf s GLU 411 CO -0.08 0.29 -0.15 0.14 -0.54 0.00 0.00 175.26 174.92 1eaf s VAL 412 N 0.38 1.21 0.45 3.70 -7.23 -1.26 -5.14 120.40 112.50 1eaf s VAL 412 Ca 0.08 -0.97 -0.09 0.00 -1.81 0.00 0.00 61.98 59.19 1eaf s VAL 412 Cb -0.11 -1.07 -0.05 0.00 0.56 0.00 0.00 36.38 35.70 1eaf s VAL 412 CO -0.02 0.09 0.80 -2.16 -0.31 0.00 0.00 175.10 173.50 1eaf s PRO 413 N -1.02 3.70 0.07 4.82 0.05 -1.26 -5.06 135.00 136.30 1eaf s PRO 413 Ca 0.03 0.43 -0.18 0.00 0.05 0.00 0.00 61.00 61.33 1eaf s PRO 413 Cb -0.08 -2.35 -0.07 0.00 0.05 0.00 0.00 34.50 32.06 1eaf s PRO 413 CO 0.01 -0.14 0.53 -1.64 0.05 0.00 0.00 177.00 175.82 1eaf s MET 414 N -4.23 4.11 0.89 4.56 -1.94 -1.26 -5.06 119.30 116.37 1eaf s MET 414 Ca 0.51 0.64 -0.11 0.00 -1.71 0.00 0.00 55.69 55.02 1eaf s MET 414 Cb -0.10 -3.20 0.12 0.00 2.01 0.00 0.00 34.83 33.67 1eaf s MET 414 CO 0.37 0.63 1.10 0.95 -0.01 0.00 0.00 175.02 178.06 1eaf s THR 415 N -1.15 2.68 0.32 2.05 -4.23 -1.26 -4.85 115.64 109.20 1eaf s THR 415 Ca 0.29 0.22 -0.00 0.00 -1.18 0.00 0.00 61.69 61.02 1eaf s THR 415 Cb -0.18 -2.57 0.26 0.00 1.34 0.00 0.00 72.50 71.35 1eaf s THR 415 CO 0.18 -0.29 1.98 0.08 -0.54 0.00 0.00 174.62 176.03 1eaf h ARG 416 N -1.59 1.00 -0.57 3.99 -0.00 -1.97 -1.49 114.38 113.74 1eaf h ARG 416 Ca -0.47 -0.06 -0.02 0.00 -0.00 0.00 0.00 59.98 59.42 1eaf h ARG 416 Cb 1.27 -0.22 -0.03 0.00 -0.00 0.00 0.00 29.97 30.99 1eaf h ARG 416 CO 0.50 0.66 0.27 1.25 -0.00 0.00 0.00 179.97 182.65 1eaf h LEU 417 N 1.03 0.76 -0.98 0.08 6.46 -1.92 0.59 115.31 121.33 1eaf h LEU 417 Ca 0.29 -0.14 -0.06 0.00 -0.12 0.00 0.00 57.88 57.85 1eaf h LEU 417 Cb -0.08 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 39.63 1eaf h LEU 417 CO -0.07 0.68 0.12 0.24 -0.62 0.00 0.00 178.44 178.79 1eaf h MET 418 N 0.78 0.86 -0.31 1.25 2.86 -1.54 -0.32 114.93 118.50 1eaf h MET 418 Ca 0.20 -0.19 -0.18 0.00 -2.06 0.00 0.00 59.70 57.47 1eaf h MET 418 Cb 0.13 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 1eaf h MET 418 CO -0.02 0.78 -0.50 1.96 1.06 0.00 0.00 176.91 180.19 1eaf h GLN 419 N 0.82 0.87 0.09 1.72 4.20 -0.74 0.13 115.11 122.20 1eaf h GLN 419 Ca 0.18 -0.52 -0.00 0.00 0.06 0.00 0.00 58.65 58.36 1eaf h GLN 419 Cb 0.33 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1eaf h GLN 419 CO 0.00 1.16 -0.04 0.82 -0.67 0.00 0.00 178.83 180.10 1eaf h ILE 420 N 0.68 0.93 -0.30 2.54 1.08 -0.55 -2.36 117.51 119.54 1eaf h ILE 420 Ca 0.03 -0.06 0.05 0.00 -0.39 0.00 0.00 64.86 64.49 1eaf h ILE 420 Cb 1.10 0.97 -0.05 0.00 -3.07 0.00 0.00 36.82 35.77 1eaf h ILE 420 CO 0.11 0.02 -0.01 1.23 -0.69 0.00 0.00 178.15 178.81 1eaf h GLY 421 N -0.15 0.28 0.67 5.37 0.00 -0.90 -0.33 103.07 108.01 1eaf h GLY 421 Ca -0.01 0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.41 1eaf h GLY 421 CO 0.02 -0.07 0.28 0.00 0.00 0.00 0.00 176.54 176.77 1eaf h ALA 422 N 1.26 0.73 -0.35 3.60 0.00 -0.58 -0.75 119.26 123.18 1eaf h ALA 422 Ca 0.14 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1eaf h ALA 422 Cb 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1eaf h ALA 422 CO -0.25 -0.07 0.04 1.15 0.00 0.00 0.00 179.25 180.12 1eaf h THR 423 N 0.53 1.24 -0.53 0.00 2.02 -0.93 -0.87 112.91 114.37 1eaf h THR 423 Ca 0.25 -0.87 -0.09 0.00 0.77 0.00 0.00 66.41 66.47 1eaf h THR 423 Cb 0.18 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1eaf h THR 423 CO -0.18 0.29 -0.02 0.78 0.37 0.00 0.00 175.52 176.75 1eaf h ASN 424 N 0.41 0.90 -0.43 4.18 2.35 -0.46 -1.44 115.58 121.10 1eaf h ASN 424 Ca 0.10 -0.25 -0.05 0.00 -0.55 0.00 0.00 56.30 55.56 1eaf h ASN 424 Cb 0.38 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1eaf h ASN 424 CO 0.01 0.97 0.09 -0.07 -1.65 0.00 0.00 177.43 176.78 1eaf h LEU 425 N 0.85 0.66 -1.04 1.61 3.38 -1.01 0.18 115.31 119.93 1eaf h LEU 425 Ca 0.15 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1eaf h LEU 425 Cb 0.53 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1eaf h LEU 425 CO 0.03 0.74 -0.35 -0.74 0.09 0.00 0.00 178.44 178.21 1eaf h HIS 426 N 0.56 0.27 -0.16 1.13 2.76 -1.05 -0.44 115.15 118.22 1eaf h HIS 426 Ca 0.13 -0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.21 1eaf h HIS 426 Cb 0.35 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 1eaf h HIS 426 CO 0.02 0.56 -0.02 -0.09 -1.30 0.00 0.00 177.93 177.10 1eaf h ARG 427 N 0.21 0.30 -0.46 5.26 2.43 -0.57 -2.62 114.38 118.92 1eaf h ARG 427 Ca 0.02 -0.11 0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1eaf h ARG 427 Cb 0.72 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 1eaf h ARG 427 CO 0.05 0.55 0.27 0.77 -1.51 0.00 0.00 179.97 180.11 1eaf h SER 428 N 0.02 0.44 -0.65 -3.80 0.02 -0.84 -1.89 113.55 106.86 1eaf h SER 428 Ca 0.04 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.09 1eaf h SER 428 Cb 0.43 -0.09 -0.07 0.00 0.14 0.00 0.00 62.40 62.81 1eaf h SER 428 CO 0.01 0.32 0.29 -0.25 -1.14 0.00 0.00 176.83 176.06 1eaf h TRP 429 N 0.55 0.51 0.00 3.45 2.91 -0.96 -0.73 115.95 121.68 1eaf h TRP 429 Ca 0.18 0.03 -0.19 0.00 1.13 0.00 0.00 58.89 60.05 1eaf h TRP 429 Cb 0.01 -0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 28.50 1eaf h TRP 429 CO -0.07 0.17 -0.92 -0.07 -1.03 0.00 0.00 178.44 176.52 1eaf h LEU 430 N 0.50 0.00 0.05 0.65 3.38 -1.35 -3.36 115.31 115.18 1eaf h LEU 430 Ca 0.32 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 58.02 1eaf h LEU 430 Cb 0.36 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1eaf h LEU 430 CO -0.28 0.85 -1.40 0.78 0.09 0.00 0.00 178.44 178.49 1eaf h ASN 431 N 0.00 0.15 -3.66 -0.43 4.21 -0.91 -3.45 115.58 111.49 1eaf h ASN 431 Ca -0.03 -0.21 -0.68 0.00 1.21 0.00 0.00 56.30 56.59 1eaf h ASN 431 Cb 1.68 -0.05 -0.21 0.00 -1.12 0.00 0.00 38.32 38.62 1eaf h ASN 431 CO 0.11 1.17 -0.50 -0.69 -1.29 0.00 0.00 177.43 176.23 1eaf s VAL 432 N -2.64 5.03 -0.44 2.81 1.01 -0.32 -5.05 120.40 120.80 1eaf s VAL 432 Ca -0.04 -0.39 -0.27 0.00 0.00 0.00 0.00 61.98 61.27 1eaf s VAL 432 Cb 0.08 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1eaf s VAL 432 CO 0.83 -0.05 1.98 -2.16 0.00 0.00 0.00 175.10 175.71 1eaf s PRO 433 N 1.67 2.85 0.07 2.72 0.05 -1.26 -4.81 135.00 136.29 1eaf s PRO 433 Ca 0.05 1.23 -0.25 0.00 0.05 0.00 0.00 61.00 62.09 1eaf s PRO 433 Cb -0.18 -4.35 -0.06 0.00 0.05 0.00 0.00 34.50 29.96 1eaf s PRO 433 CO 0.09 -2.44 0.75 -1.01 0.05 0.00 0.00 177.00 174.44 1eaf s HIS 434 N 8.77 3.78 0.05 0.56 3.76 -1.26 -1.39 115.29 129.56 1eaf s HIS 434 Ca 0.81 1.49 0.07 0.00 -0.15 0.00 0.00 55.06 57.28 1eaf s HIS 434 Cb -0.19 -2.78 -0.02 0.00 1.11 0.00 0.00 32.58 30.69 1eaf s HIS 434 CO 0.28 0.35 -0.19 0.08 -0.85 0.00 0.00 174.74 174.41 1eaf s VAL 435 N -0.37 1.50 -0.13 -0.90 1.01 -0.79 -4.94 120.40 115.78 1eaf s VAL 435 Ca 0.37 -1.17 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 1eaf s VAL 435 Cb -0.21 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 1eaf s VAL 435 CO 0.23 0.12 -0.07 -0.89 0.00 0.00 0.00 175.10 174.49 1eaf s THR 436 N -0.85 3.58 -0.21 3.92 2.01 -1.26 -1.31 115.64 121.52 1eaf s THR 436 Ca 0.05 -0.48 -0.05 0.00 0.31 0.00 0.00 61.69 61.52 1eaf s THR 436 Cb -0.09 -2.53 -0.02 0.00 0.01 0.00 0.00 72.50 69.87 1eaf s THR 436 CO 0.02 0.53 0.01 -1.58 -0.69 0.00 0.00 174.62 172.90 1eaf s GLN 437 N 0.09 3.62 0.13 4.92 2.00 0.25 -4.93 119.66 125.74 1eaf s GLN 437 Ca -0.03 -0.51 0.00 0.00 -2.00 0.00 0.00 55.36 52.82 1eaf s GLN 437 Cb -0.14 -3.11 -0.04 0.00 0.80 0.00 0.00 33.01 30.52 1eaf s GLN 437 CO 0.03 -0.02 0.29 -0.06 -0.50 0.00 0.00 175.29 175.04 1eaf s PHE 438 N 1.09 3.49 0.08 1.67 0.08 -1.26 -0.88 117.98 122.26 1eaf s PHE 438 Ca 0.03 0.24 -0.24 0.00 0.12 0.00 0.00 56.93 57.08 1eaf s PHE 438 Cb -0.14 -1.76 0.06 0.00 -0.57 0.00 0.00 43.02 40.60 1eaf s PHE 438 CO 0.02 0.50 0.58 -2.00 -0.10 0.00 0.00 175.22 174.22 1eaf s GLU 439 N -2.97 1.15 -0.06 0.44 2.56 -0.65 -4.99 118.70 114.18 1eaf s GLU 439 Ca 0.36 -0.27 0.05 0.00 0.00 0.00 0.00 54.97 55.12 1eaf s GLU 439 Cb -0.12 0.53 -0.01 0.00 2.00 0.00 0.00 34.13 36.54 1eaf s GLU 439 CO 0.28 -0.45 -0.22 -1.12 -0.56 0.00 0.00 175.26 173.18 1eaf s SER 440 N -2.21 2.81 -0.09 -1.70 0.01 -1.26 -0.37 113.70 110.88 1eaf s SER 440 Ca -0.03 -0.48 -0.02 0.00 1.31 0.00 0.00 55.95 56.73 1eaf s SER 440 Cb -0.00 -0.90 -0.03 0.00 0.21 0.00 0.00 66.02 65.29 1eaf s SER 440 CO -0.05 0.20 0.00 0.00 0.41 0.00 0.00 173.24 173.80 1eaf s ALA 441 N 0.02 3.27 -0.44 1.44 0.00 -0.13 -4.88 121.76 121.03 1eaf s ALA 441 Ca -0.07 -0.81 -0.26 0.00 0.00 0.00 0.00 51.96 50.82 1eaf s ALA 441 Cb -0.14 -1.50 0.02 0.00 0.00 0.00 0.00 23.12 21.50 1eaf s ALA 441 CO 0.04 0.55 0.96 0.34 0.00 0.00 0.00 175.76 177.65 1eaf s ASP 442 N -0.74 6.57 -0.28 0.00 -1.08 -1.26 -0.76 116.67 119.11 1eaf s ASP 442 Ca 0.12 0.30 0.10 0.00 -0.52 0.00 0.00 52.55 52.55 1eaf s ASP 442 Cb -0.12 -2.47 0.54 0.00 -1.46 0.00 0.00 42.92 39.41 1eaf s ASP 442 CO 0.02 -1.03 1.51 2.30 0.52 0.00 0.00 175.17 178.49 1eaf n ILE 443 N 6.37 2.57 -0.06 4.11 -5.35 0.36 -3.71 119.36 123.64 1eaf n ILE 443 Ca 0.07 -2.43 -0.08 0.00 -0.27 0.00 0.00 62.75 60.05 1eaf n ILE 443 Cb 0.48 -0.32 -0.02 0.00 -1.74 0.00 0.00 39.64 38.05 1eaf n ILE 443 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1eaf h THR 444 N 1.24 0.86 -0.08 7.28 2.02 -1.90 0.00 112.91 122.33 1eaf h THR 444 Ca 0.21 -0.04 -0.20 0.00 0.77 0.00 0.00 66.41 67.16 1eaf h THR 444 Cb 1.75 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 68.90 1eaf h THR 444 CO 0.43 0.02 -0.76 -0.33 0.37 0.00 0.00 175.52 175.25 1eaf h GLU 445 N 0.11 0.46 -0.69 6.66 4.39 -1.88 -2.47 114.58 121.16 1eaf h GLU 445 Ca 0.11 -0.39 -0.06 0.00 0.34 0.00 0.00 59.36 59.36 1eaf h GLU 445 Cb 0.13 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1eaf h GLU 445 CO -0.17 1.03 0.19 1.25 -1.16 0.00 0.00 179.01 180.16 1eaf h LEU 446 N 0.31 1.01 -0.53 1.33 7.12 -1.76 0.30 115.31 123.10 1eaf h LEU 446 Ca -0.04 -0.20 -0.08 0.00 0.13 0.00 0.00 57.88 57.70 1eaf h LEU 446 Cb 1.36 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 41.20 1eaf h LEU 446 CO 0.14 0.95 0.02 -0.08 -0.13 0.00 0.00 178.44 179.34 1eaf h GLU 447 N 1.03 0.91 -0.51 1.25 4.57 -0.88 -1.77 114.58 119.19 1eaf h GLU 447 Ca 0.22 -0.28 0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1eaf h GLU 447 Cb 0.32 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 1eaf h GLU 447 CO -0.00 0.92 0.32 0.00 -1.18 0.00 0.00 179.01 179.07 1eaf h ALA 448 N 0.96 0.65 -0.09 2.92 0.00 -0.93 -1.73 119.26 121.03 1eaf h ALA 448 Ca 0.15 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1eaf h ALA 448 Cb 0.50 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1eaf h ALA 448 CO 0.02 0.04 -0.03 0.35 0.00 0.00 0.00 179.25 179.63 1eaf h PHE 449 N 0.64 -0.07 -0.61 0.00 3.57 -0.80 -0.28 116.94 119.38 1eaf h PHE 449 Ca 0.19 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.77 1eaf h PHE 449 Cb -0.03 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.70 1eaf h PHE 449 CO -0.05 -0.06 0.29 -0.09 -2.23 0.00 0.00 178.31 176.18 1eaf h ARG 450 N -0.02 0.52 -0.00 1.11 2.43 -0.92 -1.44 114.38 116.06 1eaf h ARG 450 Ca 0.05 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1eaf h ARG 450 Cb 0.09 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1eaf h ARG 450 CO -0.10 0.35 -0.00 0.28 -1.51 0.00 0.00 179.97 178.98 1eaf h VAL 451 N 0.54 1.40 -0.01 0.20 2.07 -1.27 -3.03 116.25 116.14 1eaf h VAL 451 Ca 0.29 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1eaf h VAL 451 Cb 0.26 2.19 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1eaf h VAL 451 CO -0.23 0.30 0.06 0.00 0.02 0.00 0.00 177.57 177.72 1eaf h ALA 452 N 0.50 1.18 -0.48 1.67 0.00 -0.61 -1.72 119.26 119.80 1eaf h ALA 452 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1eaf h ALA 452 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1eaf h ALA 452 CO 0.00 -0.06 0.00 1.04 0.00 0.00 0.00 179.25 180.23 1eaf n GLN 453 N -3.23 2.81 -0.27 0.00 1.13 -0.58 -4.59 117.38 112.64 1eaf n GLN 453 Ca -0.03 -2.03 0.05 0.00 -1.94 0.00 0.00 57.00 53.06 1eaf n GLN 453 Cb 0.13 -1.65 0.19 0.00 0.11 0.00 0.00 30.24 29.02 1eaf n GLN 453 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1eaf h LYS 454 N 2.99 0.58 -0.16 -1.09 6.56 -1.29 -1.84 116.57 122.32 1eaf h LYS 454 Ca 0.00 -0.03 -0.19 0.00 -1.06 0.00 0.00 60.65 59.37 1eaf h LYS 454 Cb 1.03 -0.13 -0.00 0.00 -0.57 0.00 0.00 32.23 32.56 1eaf h LYS 454 CO 0.13 0.38 -0.66 0.00 -2.06 0.00 0.00 179.45 177.24 1eaf h ALA 455 N 1.52 0.54 -0.78 3.86 0.00 -1.85 -0.57 119.26 121.98 1eaf h ALA 455 Ca 0.42 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1eaf h ALA 455 Cb 0.55 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1eaf h ALA 455 CO -0.34 0.71 0.35 0.28 0.00 0.00 0.00 179.25 180.25 1eaf h VAL 456 N 0.44 1.25 -0.09 0.00 2.07 -1.81 0.82 116.25 118.93 1eaf h VAL 456 Ca -0.02 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 1eaf h VAL 456 Cb 1.24 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1eaf h VAL 456 CO 0.13 0.31 0.04 0.00 0.02 0.00 0.00 177.57 178.07 1eaf h ALA 457 N 1.25 0.12 -0.63 1.67 0.00 -1.21 -1.50 119.26 118.96 1eaf h ALA 457 Ca 0.27 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.18 1eaf h ALA 457 Cb 0.16 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 1eaf h ALA 457 CO -0.03 -0.30 0.27 1.57 0.00 0.00 0.00 179.25 180.76 1eaf h LYS 458 N 0.01 0.46 -0.64 0.00 -0.00 -0.69 0.58 116.57 116.30 1eaf h LYS 458 Ca 0.03 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.65 60.65 1eaf h LYS 458 Cb 0.15 -0.10 -0.03 0.00 -0.00 0.00 0.00 32.23 32.24 1eaf h LYS 458 CO -0.00 0.30 0.37 1.57 -0.00 0.00 0.00 179.45 181.69 1eaf h LYS 459 N 0.47 0.88 0.00 0.07 -0.00 -0.60 0.33 116.57 117.72 1eaf h LYS 459 Ca 0.31 -0.09 0.00 0.00 -0.00 0.00 0.00 60.65 60.87 1eaf h LYS 459 Cb 0.35 -0.18 0.00 0.00 -0.00 0.00 0.00 32.23 32.40 1eaf h LYS 459 CO -0.28 0.64 0.00 0.00 -0.00 0.00 0.00 179.45 179.81 1eaf n ALA 460 N -2.31 1.95 -1.08 0.07 0.00 -0.51 -4.87 120.51 113.76 1eaf n ALA 460 Ca 0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 1eaf n ALA 460 Cb 0.07 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.21 1eaf n ALA 460 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1eaf n GLY 461 N 0.28 0.52 3.88 0.00 0.00 0.12 -5.01 105.19 104.98 1eaf n GLY 461 Ca 0.08 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 1eaf n GLY 461 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1eaf s VAL 462 N -1.78 4.83 -0.13 1.61 -7.23 -0.57 -4.96 120.40 112.16 1eaf s VAL 462 Ca 0.00 -1.12 -0.07 0.00 -1.81 0.00 0.00 61.98 58.97 1eaf s VAL 462 Cb 0.00 -3.57 -0.04 0.00 0.56 0.00 0.00 36.38 33.32 1eaf s VAL 462 CO 0.00 -0.27 0.13 -0.75 -0.31 0.00 0.00 175.10 173.90 1eaf s LYS 463 N -3.68 3.54 -0.46 4.82 2.20 -1.26 -3.91 119.74 120.99 1eaf s LYS 463 Ca 0.33 -0.16 -0.14 0.00 -0.36 0.00 0.00 55.97 55.64 1eaf s LYS 463 Cb -0.09 -3.21 0.08 0.00 -1.51 0.00 0.00 37.83 33.10 1eaf s LYS 463 CO 0.26 0.70 0.37 -1.17 -0.36 0.00 0.00 175.35 175.15 1eaf s LEU 464 N -0.79 5.54 0.00 5.43 2.96 -1.26 -4.87 118.68 125.69 1eaf s LEU 464 Ca 0.14 -1.39 0.00 0.00 -0.22 0.00 0.00 54.13 52.66 1eaf s LEU 464 Cb -0.12 -2.14 0.00 0.00 0.50 0.00 0.00 46.19 44.43 1eaf s LEU 464 CO 0.03 -0.63 0.00 0.35 -1.32 0.00 0.00 176.35 174.78 1eaf n THR 465 N 5.14 0.00 0.21 3.68 -2.24 -1.26 -4.96 114.28 114.85 1eaf n THR 465 Ca -0.12 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.76 1eaf n THR 465 Cb 0.43 -0.92 0.26 0.00 -2.10 0.00 0.00 70.33 68.00 1eaf n THR 465 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1eaf h VAL 466 N 0.06 0.36 -0.38 2.28 3.04 -2.01 -3.37 116.25 116.24 1eaf h VAL 466 Ca 0.00 -1.30 0.08 0.00 -1.01 0.00 0.00 66.70 64.46 1eaf h VAL 466 Cb 0.00 2.01 -0.07 0.00 -2.01 0.00 0.00 31.29 31.21 1eaf h VAL 466 CO 0.00 0.18 -0.12 0.25 -1.01 0.00 0.00 177.57 176.88 1eaf h LEU 467 N 0.00 -0.42 -1.76 3.16 6.46 -1.99 -0.86 115.31 119.91 1eaf h LEU 467 Ca -0.00 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.87 1eaf h LEU 467 Cb 0.99 0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 41.17 1eaf h LEU 467 CO 0.02 -0.15 0.09 1.55 -0.62 0.00 0.00 178.44 179.33 1eaf h PRO 468 N -0.03 0.25 -0.37 5.25 0.13 -1.90 0.53 132.00 135.84 1eaf h PRO 468 Ca 0.18 -0.02 -0.15 0.00 -0.87 0.00 0.00 66.00 65.14 1eaf h PRO 468 Cb 0.31 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.38 1eaf h PRO 468 CO -0.41 0.19 -0.37 -0.07 -0.23 0.00 0.00 178.00 177.12 1eaf h LEU 469 N 0.25 0.97 -0.26 1.56 3.38 -1.60 -0.90 115.31 118.72 1eaf h LEU 469 Ca 0.07 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 1eaf h LEU 469 Cb 0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1eaf h LEU 469 CO -0.01 1.24 0.00 -0.07 0.09 0.00 0.00 178.44 179.69 1eaf h LEU 470 N 0.72 0.44 0.00 1.67 4.07 -0.34 -1.93 115.31 119.95 1eaf h LEU 470 Ca 0.06 -0.31 0.02 0.00 0.08 0.00 0.00 57.88 57.74 1eaf h LEU 470 Cb 0.96 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.56 1eaf h LEU 470 CO 0.09 0.64 -0.15 -0.07 -1.08 0.00 0.00 178.44 177.88 1eaf h LEU 471 N 0.23 -0.42 -0.33 1.67 3.38 -0.89 0.91 115.31 119.86 1eaf h LEU 471 Ca 0.07 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1eaf h LEU 471 Cb 0.41 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1eaf h LEU 471 CO 0.01 -0.20 0.19 0.11 0.09 0.00 0.00 178.44 178.64 1eaf h LYS 472 N -0.25 0.38 -0.49 1.13 1.57 -1.18 -0.01 116.57 117.73 1eaf h LYS 472 Ca 0.05 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1eaf h LYS 472 Cb 0.31 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1eaf h LYS 472 CO -0.14 0.25 0.11 0.00 -0.57 0.00 0.00 179.45 179.11 1eaf h ALA 473 N 1.14 0.65 -0.57 3.86 0.00 -1.21 -1.22 119.26 121.91 1eaf h ALA 473 Ca 0.13 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1eaf h ALA 473 Cb -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1eaf h ALA 473 CO -0.06 0.34 -0.03 0.00 0.00 0.00 0.00 179.25 179.51 1eaf h ALA 475 N 1.03 1.14 -0.52 0.00 0.00 -0.74 0.96 119.26 121.13 1eaf h ALA 475 Ca 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1eaf h ALA 475 Cb 0.57 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1eaf h ALA 475 CO 0.03 0.62 0.24 -0.92 0.00 0.00 0.00 179.25 179.22 1eaf h TYR 476 N 1.06 0.76 -0.04 0.00 5.03 -0.85 -2.95 116.97 119.98 1eaf h TYR 476 Ca 0.25 -0.04 -0.13 0.00 2.58 0.00 0.00 58.73 61.39 1eaf h TYR 476 Cb 0.19 -0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.22 1eaf h TYR 476 CO 0.02 0.61 -0.56 -0.07 -1.32 0.00 0.00 178.16 176.84 1eaf h LEU 477 N 0.70 0.15 -1.73 2.82 3.38 -0.41 -2.32 115.31 117.90 1eaf h LEU 477 Ca 0.18 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1eaf h LEU 477 Cb 0.14 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1eaf h LEU 477 CO -0.02 0.68 -0.15 -0.07 0.09 0.00 0.00 178.44 178.96 1eaf h LEU 478 N 0.10 0.00 0.12 1.67 4.07 -0.69 0.20 115.31 120.78 1eaf h LEU 478 Ca -0.00 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.68 1eaf h LEU 478 Cb 1.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.76 1eaf h LEU 478 CO 0.08 0.15 -1.27 0.11 -1.08 0.00 0.00 178.44 176.44 1eaf h LYS 479 N 0.00 0.25 -0.06 1.13 1.57 -1.36 -3.26 116.57 114.84 1eaf h LYS 479 Ca -0.00 -0.43 -0.18 0.00 -1.87 0.00 0.00 60.65 58.17 1eaf h LYS 479 Cb 0.29 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1eaf h LYS 479 CO 0.02 1.19 -0.74 1.49 -0.57 0.00 0.00 179.45 180.84 1eaf h GLU 480 N 0.07 0.35 -2.82 3.15 4.81 -0.76 -3.37 114.58 116.01 1eaf h GLU 480 Ca -0.14 -0.29 -0.61 0.00 -0.13 0.00 0.00 59.36 58.18 1eaf h GLU 480 Cb 1.97 0.06 -0.41 0.00 0.63 0.00 0.00 28.75 31.00 1eaf h GLU 480 CO 0.19 0.94 -0.65 1.28 -0.73 0.00 0.00 179.01 180.04 1eaf n LEU 481 N -3.82 2.49 0.12 1.64 4.77 0.62 -4.98 117.00 117.84 1eaf n LEU 481 Ca -0.04 -5.10 0.19 0.00 -0.03 0.00 0.00 56.01 51.04 1eaf n LEU 481 Cb 0.71 -0.50 0.77 0.00 -2.33 0.00 0.00 43.42 42.07 1eaf n LEU 481 CO 0.48 1.82 1.17 1.55 -1.33 0.00 0.00 177.39 181.08 1eaf h PRO 482 N 5.22 0.00 0.00 3.23 0.13 -1.74 -2.24 132.00 136.61 1eaf h PRO 482 Ca 0.17 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1eaf h PRO 482 Cb 0.77 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 1eaf h PRO 482 CO 0.67 0.00 -0.02 -0.44 -0.23 0.00 0.00 178.00 177.98 1eaf h ASP 483 N 0.00 0.00 1.68 1.44 3.32 -1.93 0.13 116.42 121.05 1eaf h ASP 483 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1eaf h ASP 483 Cb 0.92 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.47 1eaf h ASP 483 CO -0.00 0.02 0.00 -0.26 -1.72 0.00 0.00 179.24 177.28 1eaf h PHE 484 N 0.00 0.00 -2.12 4.55 -1.00 -1.72 -3.31 116.94 113.34 1eaf h PHE 484 Ca -0.00 0.00 -0.77 0.00 2.81 0.00 0.00 57.97 60.01 1eaf h PHE 484 Cb 0.30 0.00 -0.28 0.00 3.61 0.00 0.00 35.95 39.58 1eaf h PHE 484 CO 0.00 0.00 0.89 -1.71 -1.61 0.00 0.00 178.31 175.88 1eaf n ASN 485 N -2.91 7.17 -3.73 2.17 5.15 0.03 -4.65 115.26 118.50 1eaf n ASN 485 Ca 0.04 -3.75 -0.10 0.00 -0.60 0.00 0.00 54.58 50.17 1eaf n ASN 485 Cb 0.46 -1.07 -0.04 0.00 -0.53 0.00 0.00 39.78 38.60 1eaf n ASN 485 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1eaf s SER 486 N -1.44 0.09 0.06 1.20 1.04 -1.25 -1.69 113.70 111.71 1eaf s SER 486 Ca 0.45 -1.03 0.02 0.00 0.48 0.00 0.00 55.95 55.88 1eaf s SER 486 Cb 0.30 0.64 -0.03 0.00 0.10 0.00 0.00 66.02 67.04 1eaf s SER 486 CO -0.25 -1.25 -0.08 -0.44 0.98 0.00 0.00 173.24 172.20 1eaf s SER 487 N -3.06 1.03 0.05 7.02 0.01 -0.77 -3.92 113.70 114.06 1eaf s SER 487 Ca 0.22 -0.67 -0.30 0.00 1.31 0.00 0.00 55.95 56.51 1eaf s SER 487 Cb -0.02 0.04 -0.05 0.00 0.21 0.00 0.00 66.02 66.20 1eaf s SER 487 CO 0.11 -0.25 1.14 -0.22 0.41 0.00 0.00 173.24 174.43 1eaf s LEU 488 N -1.97 4.37 0.56 2.44 2.96 -1.26 -0.30 118.68 125.49 1eaf s LEU 488 Ca -0.04 1.94 -0.20 0.00 -0.22 0.00 0.00 54.13 55.61 1eaf s LEU 488 Cb -0.06 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 1eaf s LEU 488 CO -0.01 -0.41 1.23 0.00 -1.32 0.00 0.00 176.35 175.84 1eaf s ALA 489 N 1.00 2.67 0.53 5.97 0.00 0.02 -4.85 121.76 127.11 1eaf s ALA 489 Ca 0.57 1.06 0.31 0.00 0.00 0.00 0.00 51.96 53.90 1eaf s ALA 489 Cb -0.28 -3.46 1.47 0.00 0.00 0.00 0.00 23.12 20.85 1eaf s ALA 489 CO 0.29 -1.12 1.90 -1.35 0.00 0.00 0.00 175.76 175.48 1eaf h PRO 490 N 1.21 0.01 0.00 0.00 0.11 -1.95 0.83 132.00 132.20 1eaf h PRO 490 Ca -0.50 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1eaf h PRO 490 Cb 1.29 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 1eaf h PRO 490 CO 0.56 0.00 -0.05 0.66 -0.21 0.00 0.00 178.00 178.97 1eaf h SER 491 N 0.01 0.00 -0.01 -2.05 4.64 -1.93 -3.46 113.55 110.75 1eaf h SER 491 Ca 0.41 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1eaf h SER 491 Cb 1.63 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.72 1eaf h SER 491 CO -0.01 0.05 -0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1eaf n GLY 492 N -0.67 0.47 0.00 -0.77 0.00 0.28 -4.91 105.19 99.59 1eaf n GLY 492 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1eaf n GLY 492 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1eaf n GLN 493 N -2.86 2.14 -3.83 1.61 0.00 -1.26 -4.99 117.38 108.18 1eaf n GLN 493 Ca -0.00 -1.23 -0.10 0.00 0.00 0.00 0.00 57.00 55.68 1eaf n GLN 493 Cb 0.02 -0.90 -0.06 0.00 0.00 0.00 0.00 30.24 29.30 1eaf n GLN 493 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1eaf s ALA 494 N -0.74 -0.40 -0.04 2.61 0.00 -1.26 -5.06 121.76 116.87 1eaf s ALA 494 Ca 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.44 1eaf s ALA 494 Cb 0.00 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 1eaf s ALA 494 CO 0.00 -0.64 -0.07 -0.51 0.00 0.00 0.00 175.76 174.54 1eaf s LEU 495 N -2.89 3.17 -0.50 0.00 1.43 -1.26 -0.80 118.68 117.83 1eaf s LEU 495 Ca 0.10 -0.08 -0.15 0.00 -1.03 0.00 0.00 54.13 52.97 1eaf s LEU 495 Cb 0.03 -1.75 0.10 0.00 0.03 0.00 0.00 46.19 44.60 1eaf s LEU 495 CO -0.06 0.33 0.43 -0.63 0.23 0.00 0.00 176.35 176.65 1eaf s ILE 496 N -0.89 5.11 -0.07 -0.59 1.01 0.59 -4.84 121.20 121.52 1eaf s ILE 496 Ca 0.14 -1.29 -0.30 0.00 0.00 0.00 0.00 60.65 59.20 1eaf s ILE 496 Cb -0.11 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.17 1eaf s ILE 496 CO 0.04 -0.70 1.20 -0.13 0.00 0.00 0.00 174.94 175.35 1eaf s ARG 497 N 1.60 4.35 -0.04 2.79 0.52 -1.26 -1.85 118.95 125.04 1eaf s ARG 497 Ca 0.04 1.66 -0.15 0.00 -0.52 0.00 0.00 55.73 56.75 1eaf s ARG 497 Cb -0.27 -3.57 -0.05 0.00 0.52 0.00 0.00 34.95 31.58 1eaf s ARG 497 CO 0.05 -0.46 0.40 0.15 0.02 0.00 0.00 175.30 175.46 1eaf s LYS 498 N 2.30 4.03 0.00 3.54 1.02 -0.68 -4.96 119.74 124.99 1eaf s LYS 498 Ca 0.55 0.37 0.22 0.00 0.02 0.00 0.00 55.97 57.14 1eaf s LYS 498 Cb -0.24 -3.28 0.51 0.00 -0.52 0.00 0.00 37.83 34.30 1eaf s LYS 498 CO 0.21 0.54 1.45 1.63 -0.92 0.00 0.00 175.35 178.26 1eaf n LYS 499 N 2.38 2.43 -4.16 1.68 4.76 -1.26 -4.90 118.16 119.09 1eaf n LYS 499 Ca -0.12 -2.19 -0.25 0.00 -2.87 0.00 0.00 58.31 52.88 1eaf n LYS 499 Cb 0.52 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 32.13 1eaf n LYS 499 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 1eaf s TYR 500 N -1.41 2.61 -0.29 2.13 1.13 -1.26 -5.11 117.35 115.15 1eaf s TYR 500 Ca 0.40 -0.57 -0.01 0.00 -1.41 0.00 0.00 57.07 55.47 1eaf s TYR 500 Cb 0.22 -1.91 0.09 0.00 -1.10 0.00 0.00 41.96 39.26 1eaf s TYR 500 CO 0.31 0.22 0.08 0.08 -2.51 0.00 0.00 175.55 173.73 1eaf s VAL 501 N -2.59 0.78 -0.05 -3.49 1.01 -1.26 -4.98 120.40 109.82 1eaf s VAL 501 Ca 0.40 -1.22 0.05 0.00 0.00 0.00 0.00 61.98 61.21 1eaf s VAL 501 Cb 0.04 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 1eaf s VAL 501 CO 0.22 -0.59 -0.19 -1.00 0.00 0.00 0.00 175.10 173.54 1eaf s HIS 502 N 1.68 2.56 -0.05 5.22 3.76 -1.26 -1.82 115.29 125.38 1eaf s HIS 502 Ca 0.07 -0.36 0.03 0.00 -0.15 0.00 0.00 55.06 54.66 1eaf s HIS 502 Cb -0.17 -1.60 0.00 0.00 1.11 0.00 0.00 32.58 31.92 1eaf s HIS 502 CO -0.23 0.03 -0.13 0.42 -0.85 0.00 0.00 174.74 173.98 1eaf s ILE 503 N -0.54 1.16 0.42 0.60 1.01 -0.21 -0.41 121.20 123.24 1eaf s ILE 503 Ca 0.07 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 1eaf s ILE 503 Cb -0.11 -1.03 -0.02 0.00 0.01 0.00 0.00 42.46 41.31 1eaf s ILE 503 CO 0.01 0.35 0.65 -0.83 0.00 0.00 0.00 174.94 175.12 1eaf s GLY 504 N 0.32 1.47 -0.01 6.18 0.00 -0.15 -1.30 107.32 113.83 1eaf s GLY 504 Ca -0.08 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 43.74 1eaf s GLY 504 CO 0.02 -0.77 -0.02 -0.11 0.00 0.00 0.00 173.10 172.22 1eaf s PHE 505 N -2.51 0.27 0.22 1.90 -0.71 -0.81 -1.55 117.98 114.80 1eaf s PHE 505 Ca 0.45 -0.04 -0.30 0.00 -1.04 0.00 0.00 56.93 56.01 1eaf s PHE 505 Cb -0.10 -0.22 -0.09 0.00 -1.21 0.00 0.00 43.02 41.40 1eaf s PHE 505 CO 0.38 -0.03 1.19 0.00 -1.34 0.00 0.00 175.22 175.42 1eaf s ALA 506 N 0.20 3.44 -0.09 1.99 0.00 -0.91 -3.48 121.76 122.92 1eaf s ALA 506 Ca -0.02 0.98 0.01 0.00 0.00 0.00 0.00 51.96 52.94 1eaf s ALA 506 Cb -0.04 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.69 1eaf s ALA 506 CO -0.01 -0.36 -0.11 0.08 0.00 0.00 0.00 175.76 175.37 1eaf s VAL 507 N -0.43 1.14 -0.32 0.00 1.01 -0.20 -4.73 120.40 116.87 1eaf s VAL 507 Ca 0.51 -0.43 -0.13 0.00 0.00 0.00 0.00 61.98 61.92 1eaf s VAL 507 Cb -0.33 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1eaf s VAL 507 CO 0.40 0.37 0.27 -1.81 0.00 0.00 0.00 175.10 174.33 1eaf s ASP 508 N 1.08 6.10 0.38 3.32 1.01 -1.26 -1.45 116.67 125.85 1eaf s ASP 508 Ca -0.06 -0.21 0.08 0.00 0.71 0.00 0.00 52.55 53.06 1eaf s ASP 508 Cb -0.14 -2.16 -0.05 0.00 1.01 0.00 0.00 42.92 41.58 1eaf s ASP 508 CO -0.01 -0.22 0.14 0.42 0.21 0.00 0.00 175.17 175.70 1eaf s THR 509 N 1.84 2.55 0.43 -1.27 -4.23 -0.64 -5.01 115.64 109.32 1eaf s THR 509 Ca 0.09 -1.75 0.17 0.00 -1.18 0.00 0.00 61.69 59.01 1eaf s THR 509 Cb -0.17 -2.95 0.19 0.00 1.34 0.00 0.00 72.50 70.91 1eaf s THR 509 CO 0.11 -0.09 1.98 -0.65 -0.54 0.00 0.00 174.62 175.43 1eaf h PRO 510 N 1.54 0.00 -0.00 3.99 0.11 -1.96 -0.67 132.00 135.01 1eaf h PRO 510 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1eaf h PRO 510 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1eaf h PRO 510 CO 0.68 0.20 -0.20 -0.25 -0.21 0.00 0.00 178.00 178.22 1eaf n ASP 511 N -4.13 0.20 0.00 -2.05 9.92 -1.26 -5.05 116.55 114.18 1eaf n ASP 511 Ca -0.02 0.18 0.00 0.00 -0.53 0.00 0.00 54.79 54.42 1eaf n ASP 511 Cb 0.27 -0.20 0.00 0.00 -0.64 0.00 0.00 41.12 40.55 1eaf n ASP 511 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1eaf n GLY 512 N 1.49 1.00 3.75 0.44 0.00 -0.26 -3.85 105.19 107.77 1eaf n GLY 512 Ca 0.07 -1.87 -0.39 0.00 0.00 0.00 0.00 46.02 43.82 1eaf n GLY 512 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1eaf s LEU 513 N 0.00 4.43 0.12 0.99 2.96 -1.26 -1.61 118.68 124.31 1eaf s LEU 513 Ca 0.00 1.31 0.09 0.00 -0.22 0.00 0.00 54.13 55.31 1eaf s LEU 513 Cb 0.00 -3.08 -0.04 0.00 0.50 0.00 0.00 46.19 43.57 1eaf s LEU 513 CO 0.00 0.06 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.11 1eaf s LEU 514 N -0.13 2.33 -0.61 -0.68 1.43 -0.53 -4.96 118.68 115.53 1eaf s LEU 514 Ca 0.35 -0.73 0.05 0.00 -1.03 0.00 0.00 54.13 52.77 1eaf s LEU 514 Cb -0.19 -0.93 0.17 0.00 0.03 0.00 0.00 46.19 45.27 1eaf s LEU 514 CO 0.20 0.06 0.45 0.52 0.23 0.00 0.00 176.35 177.81 1eaf n VAL 515 N 0.91 0.71 -1.61 -1.59 0.31 -1.26 -1.03 118.33 114.77 1eaf n VAL 515 Ca -0.18 -4.40 -0.39 0.00 -0.01 0.00 0.00 64.34 59.36 1eaf n VAL 515 Cb 0.54 -2.01 0.04 0.00 -0.91 0.00 0.00 33.84 31.50 1eaf n VAL 515 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1eaf n PRO 516 N 2.23 1.04 -4.64 5.55 -0.04 -1.23 -4.60 135.00 133.31 1eaf n PRO 516 Ca 0.23 0.39 -0.33 0.00 -0.04 0.00 0.00 63.50 63.75 1eaf n PRO 516 Cb 0.39 -2.14 -0.12 0.00 -0.04 0.00 0.00 33.50 31.58 1eaf n PRO 516 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1eaf s VAL 517 N -1.46 3.50 -0.21 0.52 1.01 -0.02 -1.92 120.40 121.82 1eaf s VAL 517 Ca 0.72 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 62.10 1eaf s VAL 517 Cb -0.45 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1eaf s VAL 517 CO 0.50 0.55 0.07 -0.63 0.00 0.00 0.00 175.10 175.59 1eaf s ILE 518 N -0.20 4.70 0.18 2.22 1.01 -0.42 -4.91 121.20 123.79 1eaf s ILE 518 Ca 0.02 -0.05 -0.23 0.00 0.00 0.00 0.00 60.65 60.38 1eaf s ILE 518 Cb -0.13 -3.15 -0.08 0.00 0.01 0.00 0.00 42.46 39.11 1eaf s ILE 518 CO 0.03 0.41 0.75 -0.13 0.00 0.00 0.00 174.94 176.00 1eaf s ARG 519 N 0.82 4.45 -1.28 2.79 1.81 -1.26 -1.05 118.95 125.23 1eaf s ARG 519 Ca 0.04 1.05 -0.01 0.00 -1.72 0.00 0.00 55.73 55.09 1eaf s ARG 519 Cb -0.13 -3.12 -0.00 0.00 -0.45 0.00 0.00 34.95 31.24 1eaf s ARG 519 CO 0.02 0.51 0.74 0.09 -0.68 0.00 0.00 175.30 175.99 1eaf n ASN 520 N 1.30 -1.52 -0.10 0.23 3.02 -0.76 -4.87 115.26 112.56 1eaf n ASN 520 Ca -0.05 -0.80 0.06 0.00 -0.03 0.00 0.00 54.58 53.76 1eaf n ASN 520 Cb 0.50 -4.20 0.39 0.00 -0.61 0.00 0.00 39.78 35.86 1eaf n ASN 520 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1eaf h VAL 521 N -1.85 1.05 0.00 2.41 2.07 -1.58 0.19 116.25 118.54 1eaf h VAL 521 Ca -0.61 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1eaf h VAL 521 Cb 1.35 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1eaf h VAL 521 CO 0.55 0.12 0.00 -0.90 0.02 0.00 0.00 177.57 177.36 1eaf n ASP 522 N -4.47 0.00 -0.29 0.57 5.75 -1.26 -1.40 116.55 115.45 1eaf n ASP 522 Ca 0.07 0.33 0.07 0.00 -0.01 0.00 0.00 54.79 55.26 1eaf n ASP 522 Cb 0.16 -0.40 -0.02 0.00 -1.03 0.00 0.00 41.12 39.84 1eaf n ASP 522 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1eaf n GLN 523 N -1.40 1.79 -4.16 0.11 6.02 0.67 -5.02 117.38 115.39 1eaf n GLN 523 Ca 0.04 -0.66 -0.24 0.00 -0.01 0.00 0.00 57.00 56.12 1eaf n GLN 523 Cb 0.10 -1.24 -0.06 0.00 1.02 0.00 0.00 30.24 30.06 1eaf n GLN 523 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1eaf s LYS 524 N -1.93 2.69 0.67 -1.09 1.02 -0.49 -5.11 119.74 115.51 1eaf s LYS 524 Ca 0.12 -1.08 -0.04 0.00 0.02 0.00 0.00 55.97 54.99 1eaf s LYS 524 Cb 0.12 -2.47 0.07 0.00 -0.52 0.00 0.00 37.83 35.03 1eaf s LYS 524 CO 0.42 0.43 0.95 -1.54 -0.92 0.00 0.00 175.35 174.69 1eaf s SER 525 N -3.43 4.80 0.35 2.83 1.04 -1.26 -4.88 113.70 113.14 1eaf s SER 525 Ca 0.31 0.18 0.03 0.00 0.48 0.00 0.00 55.95 56.95 1eaf s SER 525 Cb -0.08 -0.83 0.63 0.00 0.10 0.00 0.00 66.02 65.84 1eaf s SER 525 CO 0.22 -1.56 1.95 -0.07 0.98 0.00 0.00 173.24 174.76 1eaf h LEU 526 N -0.44 0.61 -0.02 2.42 3.38 -1.98 -0.82 115.31 118.46 1eaf h LEU 526 Ca -0.42 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.33 1eaf h LEU 526 Cb 1.30 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1eaf h LEU 526 CO 0.54 0.54 -0.73 -0.07 0.09 0.00 0.00 178.44 178.80 1eaf h LEU 527 N 0.68 0.00 -0.07 1.67 3.38 -1.98 -1.26 115.31 117.73 1eaf h LEU 527 Ca 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1eaf h LEU 527 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1eaf h LEU 527 CO -0.02 0.73 0.01 1.56 0.09 0.00 0.00 178.44 180.82 1eaf h GLN 528 N 0.00 0.12 -0.78 1.13 4.20 -1.76 -1.42 115.11 116.60 1eaf h GLN 528 Ca -0.01 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 1eaf h GLN 528 Cb 1.56 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 29.29 1eaf h GLN 528 CO 0.10 0.33 0.35 -0.07 -0.67 0.00 0.00 178.83 178.86 1eaf h LEU 529 N -0.11 1.03 -0.63 1.46 3.38 -1.15 -0.84 115.31 118.45 1eaf h LEU 529 Ca 0.02 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1eaf h LEU 529 Cb 0.27 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1eaf h LEU 529 CO 0.00 0.89 0.30 0.00 0.09 0.00 0.00 178.44 179.72 1eaf h ALA 530 N 1.26 0.81 -0.24 1.53 0.00 -1.06 0.11 119.26 121.68 1eaf h ALA 530 Ca 0.26 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1eaf h ALA 530 Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1eaf h ALA 530 CO -0.03 0.38 0.09 0.00 0.00 0.00 0.00 179.25 179.69 1eaf h ALA 531 N 1.13 0.31 -0.19 0.00 0.00 -0.84 -2.66 119.26 117.00 1eaf h ALA 531 Ca 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1eaf h ALA 531 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1eaf h ALA 531 CO -0.03 -0.10 0.09 1.49 0.00 0.00 0.00 179.25 180.71 1eaf h GLU 532 N 0.23 0.27 -0.82 0.00 4.81 -0.99 -1.59 114.58 116.48 1eaf h GLU 532 Ca 0.08 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1eaf h GLU 532 Cb 0.18 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 1eaf h GLU 532 CO -0.01 0.30 0.47 0.00 -0.73 0.00 0.00 179.01 179.04 1eaf h ALA 533 N 0.96 1.05 -0.46 2.92 0.00 -0.75 -0.73 119.26 122.24 1eaf h ALA 533 Ca 0.06 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1eaf h ALA 533 Cb 0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1eaf h ALA 533 CO -0.01 0.54 -0.13 0.00 0.00 0.00 0.00 179.25 179.66 1eaf h ALA 534 N 1.25 0.89 0.03 0.00 0.00 -1.38 -0.51 119.26 119.54 1eaf h ALA 534 Ca 0.29 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1eaf h ALA 534 Cb 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1eaf h ALA 534 CO -0.05 0.63 -0.02 1.49 0.00 0.00 0.00 179.25 181.31 1eaf h GLU 535 N 0.77 -0.04 -0.59 0.00 4.81 -0.65 -1.44 114.58 117.45 1eaf h GLU 535 Ca 0.12 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1eaf h GLU 535 Cb 0.65 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 1eaf h GLU 535 CO 0.05 0.18 0.17 -0.07 -0.73 0.00 0.00 179.01 178.61 1eaf h LEU 536 N -0.27 0.83 -0.65 1.64 3.38 -1.07 -0.41 115.31 118.76 1eaf h LEU 536 Ca -0.00 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1eaf h LEU 536 Cb 0.25 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1eaf h LEU 536 CO 0.01 0.80 0.15 0.00 0.09 0.00 0.00 178.44 179.49 1eaf h ALA 537 N 1.31 0.86 -0.33 1.53 0.00 -0.91 -0.00 119.26 121.72 1eaf h ALA 537 Ca 0.19 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1eaf h ALA 537 Cb 0.28 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1eaf h ALA 537 CO -0.01 0.58 -0.38 1.05 0.00 0.00 0.00 179.25 180.49 1eaf h GLU 538 N 0.97 0.84 -0.74 0.00 9.09 -0.87 -1.59 114.58 122.28 1eaf h GLU 538 Ca 0.20 -0.46 0.03 0.00 0.05 0.00 0.00 59.36 59.18 1eaf h GLU 538 Cb 0.37 0.03 -0.05 0.00 -1.65 0.00 0.00 28.75 27.45 1eaf h GLU 538 CO 0.00 1.10 0.47 0.87 0.05 0.00 0.00 179.01 181.50 1eaf h LYS 539 N 0.63 0.88 -0.57 1.06 1.57 -0.87 -0.61 116.57 118.66 1eaf h LYS 539 Ca 0.05 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1eaf h LYS 539 Cb 0.97 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 33.05 1eaf h LYS 539 CO 0.09 0.58 0.36 0.00 -0.57 0.00 0.00 179.45 179.91 1eaf h ALA 540 N 1.32 0.73 -0.62 3.86 0.00 -0.70 0.11 119.26 123.95 1eaf h ALA 540 Ca 0.30 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 1eaf h ALA 540 Cb 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1eaf h ALA 540 CO -0.12 0.11 0.04 0.00 0.00 0.00 0.00 179.25 179.29 1eaf h ARG 541 N 0.73 1.07 -0.45 0.00 3.08 -0.88 -2.93 114.38 114.99 1eaf h ARG 541 Ca 0.22 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1eaf h ARG 541 Cb -0.03 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.91 1eaf h ARG 541 CO -0.07 1.02 0.00 0.43 -1.07 0.00 0.00 179.97 180.28 1eaf n SER 542 N -4.21 0.45 -0.84 7.04 7.64 -0.27 -4.83 113.62 118.60 1eaf n SER 542 Ca 0.03 -1.91 -0.08 0.00 1.01 0.00 0.00 58.87 57.93 1eaf n SER 542 Cb 0.32 -0.23 -0.03 0.00 -1.01 0.00 0.00 64.21 63.26 1eaf n SER 542 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1eaf n LYS 543 N -0.25 -1.55 -0.61 1.43 4.01 -1.08 -4.82 118.16 115.28 1eaf n LYS 543 Ca 0.00 0.56 0.08 0.00 -0.51 0.00 0.00 58.31 58.45 1eaf n LYS 543 Cb 0.11 -4.58 0.34 0.00 -0.51 0.00 0.00 35.03 30.39 1eaf n LYS 543 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1eaf n LYS 544 N -0.90 3.70 -3.15 1.97 5.02 0.35 -4.95 118.16 120.21 1eaf n LYS 544 Ca -0.08 -2.71 -0.39 0.00 -2.02 0.00 0.00 58.31 53.11 1eaf n LYS 544 Cb 0.36 -1.91 -0.05 0.00 -0.02 0.00 0.00 35.03 33.41 1eaf n LYS 544 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1eaf s LEU 545 N -1.85 4.36 0.15 -0.35 2.96 -1.18 -4.91 118.68 117.87 1eaf s LEU 545 Ca 0.48 1.14 -0.30 0.00 -0.22 0.00 0.00 54.13 55.23 1eaf s LEU 545 Cb 0.32 -2.96 -0.07 0.00 0.50 0.00 0.00 46.19 43.98 1eaf s LEU 545 CO 0.22 0.01 0.96 -0.83 -1.32 0.00 0.00 176.35 175.38 1eaf s GLY 546 N 0.28 3.04 0.64 7.98 0.00 -1.26 -4.92 107.32 113.08 1eaf s GLY 546 Ca 0.33 0.60 0.32 0.00 0.00 0.00 0.00 44.72 45.96 1eaf s GLY 546 CO 0.17 1.38 2.01 0.00 0.00 0.00 0.00 173.10 176.66 1eaf h ALA 547 N 5.13 1.49 -0.67 3.20 0.00 -1.98 0.58 119.26 127.00 1eaf h ALA 547 Ca -0.44 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.58 1eaf h ALA 547 Cb 1.21 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.88 1eaf h ALA 547 CO 0.71 -0.33 -0.36 0.22 0.00 0.00 0.00 179.25 179.48 1eaf h ASP 548 N 0.00 -1.25 0.00 0.00 3.58 -1.98 -2.14 116.42 114.63 1eaf h ASP 548 Ca 0.05 0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.74 1eaf h ASP 548 Cb 0.62 0.62 0.00 0.00 1.72 0.00 0.00 39.33 42.29 1eaf h ASP 548 CO -0.00 -0.30 0.00 0.00 -2.88 0.00 0.00 179.24 176.06 1eaf n ALA 549 N -3.21 2.29 -1.27 -0.78 0.00 0.20 -2.76 120.51 114.98 1eaf n ALA 549 Ca 0.05 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.55 1eaf n ALA 549 Cb 0.36 -1.08 0.15 0.00 0.00 0.00 0.00 19.45 18.89 1eaf n ALA 549 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1eaf n MET 550 N -0.60 1.31 -4.43 0.00 2.81 -0.80 -0.84 117.12 114.58 1eaf n MET 550 Ca 0.04 -2.74 -0.25 0.00 -1.81 0.00 0.00 57.70 52.94 1eaf n MET 550 Cb 0.02 -1.48 -0.11 0.00 -0.71 0.00 0.00 33.22 30.93 1eaf n MET 550 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1eaf s GLN 551 N -2.86 1.54 0.00 0.03 -0.21 -1.11 -4.83 119.66 112.22 1eaf s GLN 551 Ca 0.33 -1.59 0.00 0.00 0.02 0.00 0.00 55.36 54.11 1eaf s GLN 551 Cb 0.30 -1.73 0.00 0.00 1.00 0.00 0.00 33.01 32.57 1eaf s GLN 551 CO -0.00 0.35 0.00 0.41 -2.12 0.00 0.00 175.29 173.93 1eaf n GLY 552 N -0.04 0.52 3.76 3.09 0.00 -1.26 -4.86 105.19 106.40 1eaf n GLY 552 Ca -0.10 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 1eaf n GLY 552 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1eaf s ALA 553 N -2.00 2.94 -0.21 4.61 0.00 -1.26 -4.70 121.76 121.13 1eaf s ALA 553 Ca 0.00 1.17 0.22 0.00 0.00 0.00 0.00 51.96 53.35 1eaf s ALA 553 Cb 0.00 -3.49 -0.16 0.00 0.00 0.00 0.00 23.12 19.47 1eaf s ALA 553 CO 0.00 -1.03 0.77 0.00 0.00 0.00 0.00 175.76 175.50 1eaf s PHE 555 N -3.40 -0.30 0.04 0.00 5.36 -1.25 -4.53 117.98 113.90 1eaf s PHE 555 Ca -0.03 0.28 0.04 0.00 -0.96 0.00 0.00 56.93 56.26 1eaf s PHE 555 Cb 0.13 0.51 -0.02 0.00 -0.34 0.00 0.00 43.02 43.30 1eaf s PHE 555 CO 0.85 -0.41 -0.12 0.99 -1.46 0.00 0.00 175.22 175.07 1eaf s THR 556 N -2.42 0.95 -0.11 0.12 2.01 -1.25 -0.98 115.64 113.96 1eaf s THR 556 Ca 0.04 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.12 1eaf s THR 556 Cb -0.01 -0.88 -0.01 0.00 0.01 0.00 0.00 72.50 71.61 1eaf s THR 556 CO -0.05 -0.04 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.05 1eaf s ILE 557 N -0.86 2.90 -0.27 1.82 1.01 -0.60 -1.25 121.20 123.95 1eaf s ILE 557 Ca -0.00 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.94 1eaf s ILE 557 Cb -0.08 -2.19 0.07 0.00 0.01 0.00 0.00 42.46 40.28 1eaf s ILE 557 CO 0.01 0.54 -0.05 -0.55 0.00 0.00 0.00 174.94 174.89 1eaf s SER 558 N 0.13 4.34 -0.23 3.58 0.15 0.41 -2.13 113.70 119.95 1eaf s SER 558 Ca -0.08 -1.52 -0.06 0.00 0.70 0.00 0.00 55.95 54.99 1eaf s SER 558 Cb -0.15 -1.44 -0.02 0.00 -1.71 0.00 0.00 66.02 62.70 1eaf s SER 558 CO 0.05 -0.26 0.02 -0.55 1.20 0.00 0.00 173.24 173.71 1eaf s SER 559 N 1.16 4.81 0.00 5.45 0.15 -1.26 -1.33 113.70 122.68 1eaf s SER 559 Ca -0.03 -0.27 0.11 0.00 0.70 0.00 0.00 55.95 56.46 1eaf s SER 559 Cb -0.19 -1.85 0.21 0.00 -1.71 0.00 0.00 66.02 62.48 1eaf s SER 559 CO -0.07 -0.02 1.08 0.18 1.20 0.00 0.00 173.24 175.61 1eaf n LEU 560 N 4.79 2.48 0.14 3.45 4.77 0.16 -4.72 117.00 128.07 1eaf n LEU 560 Ca -0.17 -1.56 0.11 0.00 -0.03 0.00 0.00 56.01 54.37 1eaf n LEU 560 Cb 0.51 -0.13 0.63 0.00 -2.33 0.00 0.00 43.42 42.10 1eaf n LEU 560 CO 0.30 0.57 1.12 1.23 -1.33 0.00 0.00 177.39 179.28 1eaf h GLY 561 N 2.09 0.08 2.00 -0.72 0.00 -1.67 0.25 103.07 105.09 1eaf h GLY 561 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1eaf h GLY 561 CO 0.00 0.02 0.00 1.12 0.00 0.00 0.00 176.54 177.68 1eaf h HIS 562 N 0.07 0.00 0.00 5.60 2.07 -1.88 -3.33 115.15 117.68 1eaf h HIS 562 Ca 0.10 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 57.33 1eaf h HIS 562 Cb 0.32 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.25 1eaf h HIS 562 CO -0.00 0.00 -1.99 -0.89 -3.07 0.00 0.00 177.93 171.98 1eaf n ILE 563 N -2.77 0.98 -0.87 6.12 5.41 0.82 -5.13 119.36 123.91 1eaf n ILE 563 Ca -0.00 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.46 1eaf n ILE 563 Cb 0.19 -1.56 0.00 0.00 -0.71 0.00 0.00 39.64 37.56 1eaf n ILE 563 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1eaf n GLY 564 N 2.10 -1.07 0.00 7.39 0.00 -0.95 -5.06 105.19 107.61 1eaf n GLY 564 Ca -0.34 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1eaf n GLY 564 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1eaf n GLY 565 N -0.89 2.36 0.09 -0.02 0.00 -1.26 -4.27 105.19 101.20 1eaf n GLY 565 Ca 0.00 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.05 1eaf n GLY 565 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1eaf n THR 566 N 1.62 1.23 -3.63 2.61 -1.04 -1.26 -2.04 114.28 111.77 1eaf n THR 566 Ca 0.00 -0.74 -0.01 0.00 -2.04 0.00 0.00 64.05 61.26 1eaf n THR 566 Cb 0.00 -0.58 -0.02 0.00 -1.82 0.00 0.00 70.33 67.91 1eaf n THR 566 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1eaf s ALA 567 N -2.43 -2.26 0.31 2.41 0.00 -1.26 -4.75 121.76 113.78 1eaf s ALA 567 Ca -0.10 1.76 -0.11 0.00 0.00 0.00 0.00 51.96 53.51 1eaf s ALA 567 Cb 0.05 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.89 1eaf s ALA 567 CO 0.72 -0.63 0.55 -0.59 0.00 0.00 0.00 175.76 175.81 1eaf s PHE 568 N -2.03 0.49 -0.72 0.00 -0.71 -1.26 -5.05 117.98 108.69 1eaf s PHE 568 Ca 0.12 -0.88 0.02 0.00 -1.04 0.00 0.00 56.93 55.16 1eaf s PHE 568 Cb 0.00 0.27 0.18 0.00 -1.21 0.00 0.00 43.02 42.26 1eaf s PHE 568 CO -0.03 -1.17 0.54 0.95 -1.34 0.00 0.00 175.22 174.17 1eaf s THR 569 N -3.39 3.39 0.70 -4.49 -4.23 -1.26 -4.79 115.64 101.57 1eaf s THR 569 Ca 0.23 -3.86 -0.15 0.00 -1.18 0.00 0.00 61.69 56.72 1eaf s THR 569 Cb -0.02 -3.19 0.03 0.00 1.34 0.00 0.00 72.50 70.65 1eaf s THR 569 CO 0.13 -0.98 1.20 -2.16 -0.54 0.00 0.00 174.62 172.26 1eaf s PRO 570 N -1.09 2.32 -0.04 3.99 0.04 -1.26 -5.00 135.00 133.96 1eaf s PRO 570 Ca 0.23 1.72 -0.22 0.00 0.04 0.00 0.00 61.00 62.78 1eaf s PRO 570 Cb -0.10 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 1eaf s PRO 570 CO -0.11 -1.69 0.65 0.42 0.04 0.00 0.00 177.00 176.31 1eaf s ILE 571 N -1.98 4.98 0.29 0.56 1.01 -1.26 -4.66 121.20 120.14 1eaf s ILE 571 Ca 0.74 1.34 -0.30 0.00 0.00 0.00 0.00 60.65 62.43 1eaf s ILE 571 Cb -0.28 -3.99 -0.11 0.00 0.01 0.00 0.00 42.46 38.09 1eaf s ILE 571 CO 0.43 0.33 1.56 -0.69 0.00 0.00 0.00 174.94 176.58 1eaf s VAL 572 N 0.33 2.15 -1.19 2.92 1.01 -1.26 -4.91 120.40 119.46 1eaf s VAL 572 Ca 0.34 0.13 -0.14 0.00 0.00 0.00 0.00 61.98 62.31 1eaf s VAL 572 Cb -0.18 -3.08 0.18 0.00 0.00 0.00 0.00 36.38 33.29 1eaf s VAL 572 CO 0.17 0.02 1.40 0.21 0.00 0.00 0.00 175.10 176.90 1eaf s ASN 573 N 0.43 7.07 0.37 3.32 2.47 -1.26 -4.82 114.94 122.52 1eaf s ASN 573 Ca 0.62 -3.00 -0.28 0.00 0.42 0.00 0.00 52.86 50.61 1eaf s ASN 573 Cb -0.47 -2.39 -0.11 0.00 -1.45 0.00 0.00 41.25 36.83 1eaf s ASN 573 CO 0.48 -0.73 1.50 0.00 -3.72 0.00 0.00 177.10 174.64 1eaf n ALA 574 N 5.47 2.42 1.62 1.71 0.00 -1.26 -1.29 120.51 129.17 1eaf n ALA 574 Ca 0.35 0.34 0.03 0.00 0.00 0.00 0.00 53.44 54.17 1eaf n ALA 574 Cb 0.43 -2.43 0.12 0.00 0.00 0.00 0.00 19.45 17.57 1eaf n ALA 574 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1eaf n PRO 575 N 0.62 1.29 -0.88 0.00 -0.04 -1.26 -4.96 135.00 129.76 1eaf n PRO 575 Ca 0.02 -0.44 -0.31 0.00 -0.04 0.00 0.00 63.50 62.73 1eaf n PRO 575 Cb 0.39 -1.13 0.15 0.00 -0.04 0.00 0.00 33.50 32.86 1eaf n PRO 575 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1eaf s GLU 576 N -1.84 1.33 0.00 0.54 2.02 -0.41 -4.37 118.70 115.96 1eaf s GLU 576 Ca 0.11 1.38 0.13 0.00 0.02 0.00 0.00 54.97 56.61 1eaf s GLU 576 Cb 0.06 -1.78 -0.10 0.00 0.10 0.00 0.00 34.13 32.41 1eaf s GLU 576 CO 0.08 -2.36 0.61 1.55 0.02 0.00 0.00 175.26 175.16 1eaf n VAL 577 N -4.03 0.00 -3.58 2.63 3.14 -1.25 -4.68 118.33 110.56 1eaf n VAL 577 Ca 0.10 -0.24 -0.13 0.00 -2.96 0.00 0.00 64.34 61.11 1eaf n VAL 577 Cb 0.53 1.05 -0.05 0.00 -1.06 0.00 0.00 33.84 34.30 1eaf n VAL 577 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1eaf s ALA 578 N -2.06 -1.28 -0.01 1.55 0.00 -1.26 -1.17 121.76 117.53 1eaf s ALA 578 Ca 0.07 0.49 -0.02 0.00 0.00 0.00 0.00 51.96 52.50 1eaf s ALA 578 Cb 0.10 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.67 1eaf s ALA 578 CO 0.47 -0.54 0.06 -1.50 0.00 0.00 0.00 175.76 174.25 1eaf s ILE 579 N -2.69 0.03 -0.26 0.00 2.07 -0.39 -3.87 121.20 116.08 1eaf s ILE 579 Ca -0.04 -0.26 -0.07 0.00 -1.41 0.00 0.00 60.65 58.88 1eaf s ILE 579 Cb -0.00 -0.17 -0.02 0.00 0.13 0.00 0.00 42.46 42.40 1eaf s ILE 579 CO -0.04 -0.14 0.05 -0.22 -1.91 0.00 0.00 174.94 172.69 1eaf s LEU 580 N -0.42 3.45 0.09 8.50 0.20 -0.38 -1.88 118.68 128.24 1eaf s LEU 580 Ca -0.05 -0.35 -0.17 0.00 0.69 0.00 0.00 54.13 54.25 1eaf s LEU 580 Cb -0.03 -1.88 -0.07 0.00 -0.43 0.00 0.00 46.19 43.78 1eaf s LEU 580 CO 0.00 -0.07 0.55 -0.83 -0.29 0.00 0.00 176.35 175.71 1eaf s GLY 581 N 1.57 2.58 -0.09 7.98 0.00 0.98 -0.45 107.32 119.89 1eaf s GLY 581 Ca 0.05 -0.05 0.02 0.00 0.00 0.00 0.00 44.72 44.75 1eaf s GLY 581 CO 0.02 0.32 -0.15 0.14 0.00 0.00 0.00 173.10 173.43 1eaf s VAL 582 N -1.24 1.42 0.00 1.40 1.01 -0.44 -1.14 120.40 121.42 1eaf s VAL 582 Ca 0.32 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1eaf s VAL 582 Cb -0.18 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 34.91 1eaf s VAL 582 CO 0.18 0.42 0.00 -1.20 0.00 0.00 0.00 175.10 174.51 1eaf n SER 583 N 3.99 1.33 -4.72 3.32 7.64 -0.91 -0.66 113.62 123.60 1eaf n SER 583 Ca -0.20 -0.04 -0.41 0.00 1.01 0.00 0.00 58.87 59.23 1eaf n SER 583 Cb 0.52 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.68 1eaf n SER 583 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1eaf s LYS 584 N 1.54 4.63 0.35 1.43 2.20 -0.86 -4.05 119.74 124.97 1eaf s LYS 584 Ca 0.00 1.40 -0.26 0.00 -0.36 0.00 0.00 55.97 56.75 1eaf s LYS 584 Cb 0.00 -3.41 -0.09 0.00 -1.51 0.00 0.00 37.83 32.82 1eaf s LYS 584 CO 0.00 0.12 1.02 0.00 -0.36 0.00 0.00 175.35 176.13 1eaf s ALA 585 N 0.38 3.19 0.07 3.13 0.00 -1.26 -4.42 121.76 122.85 1eaf s ALA 585 Ca 0.48 0.68 -0.09 0.00 0.00 0.00 0.00 51.96 53.03 1eaf s ALA 585 Cb -0.22 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1eaf s ALA 585 CO 0.28 -0.08 0.20 -1.54 0.00 0.00 0.00 175.76 174.63 1eaf s SER 586 N -1.45 0.07 -0.03 0.00 1.04 -0.74 -4.94 113.70 107.66 1eaf s SER 586 Ca 0.53 -0.54 -0.30 0.00 0.48 0.00 0.00 55.95 56.12 1eaf s SER 586 Cb -0.23 0.33 -0.06 0.00 0.10 0.00 0.00 66.02 66.17 1eaf s SER 586 CO 0.29 -0.68 1.54 -0.32 0.98 0.00 0.00 173.24 175.05 1eaf s MET 587 N -3.45 4.22 0.08 4.02 1.75 -1.26 -0.80 119.30 123.85 1eaf s MET 587 Ca 0.02 2.09 0.05 0.00 -1.25 0.00 0.00 55.69 56.59 1eaf s MET 587 Cb 0.03 -3.78 -0.03 0.00 2.84 0.00 0.00 34.83 33.89 1eaf s MET 587 CO -0.09 -0.73 -0.13 -0.65 -0.65 0.00 0.00 175.02 172.77 1eaf s GLN 588 N 3.27 0.81 -0.16 4.11 -1.52 -0.17 -4.93 119.66 121.07 1eaf s GLN 588 Ca 0.69 -0.99 -0.26 0.00 -1.95 0.00 0.00 55.36 52.85 1eaf s GLN 588 Cb -0.33 -0.72 -0.01 0.00 -0.22 0.00 0.00 33.01 31.73 1eaf s GLN 588 CO 0.27 0.15 0.87 -1.25 -0.25 0.00 0.00 175.29 175.08 1eaf s PRO 589 N -1.98 4.32 -0.09 2.91 0.04 -1.26 -1.27 135.00 137.67 1eaf s PRO 589 Ca -0.01 1.09 0.04 0.00 0.04 0.00 0.00 61.00 62.16 1eaf s PRO 589 Cb -0.08 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.89 1eaf s PRO 589 CO 0.02 -0.33 -0.22 0.08 0.04 0.00 0.00 177.00 176.59 1eaf s VAL 590 N 2.13 1.87 0.04 -0.36 1.01 -0.42 -4.88 120.40 119.79 1eaf s VAL 590 Ca 0.40 -0.91 -0.31 0.00 0.00 0.00 0.00 61.98 61.16 1eaf s VAL 590 Cb -0.17 -1.62 -0.06 0.00 0.00 0.00 0.00 36.38 34.53 1eaf s VAL 590 CO 0.13 0.52 1.37 0.86 0.00 0.00 0.00 175.10 177.98 1eaf s TRP 591 N 0.37 3.05 -2.89 5.22 -0.11 -1.26 -0.39 118.94 122.93 1eaf s TRP 591 Ca -0.17 0.92 0.25 0.00 1.22 0.00 0.00 56.10 58.32 1eaf s TRP 591 Cb -0.17 -3.64 0.39 0.00 -1.50 0.00 0.00 33.47 28.55 1eaf s TRP 591 CO 0.08 -2.28 1.37 -0.40 -4.62 0.00 0.00 176.95 171.10 1eaf n ASP 592 N 4.74 2.66 0.00 5.86 5.68 0.42 -4.87 116.55 131.03 1eaf n ASP 592 Ca 0.12 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.52 1eaf n ASP 592 Cb 0.44 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 1eaf n ASP 592 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1eaf n GLY 593 N 1.31 1.82 0.00 6.12 0.00 -1.26 -4.84 105.19 108.34 1eaf n GLY 593 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1eaf n GLY 593 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1eaf n LYS 594 N 0.00 0.00 -3.78 1.61 3.00 -1.26 -5.13 118.16 112.60 1eaf n LYS 594 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.22 1eaf n LYS 594 Cb 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 35.03 34.64 1eaf n LYS 594 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1eaf s ALA 595 N -1.00 -0.89 -0.16 3.14 0.00 -1.26 -5.13 121.76 116.46 1eaf s ALA 595 Ca 0.00 -0.30 -0.20 0.00 0.00 0.00 0.00 51.96 51.46 1eaf s ALA 595 Cb 0.00 0.88 -0.03 0.00 0.00 0.00 0.00 23.12 23.96 1eaf s ALA 595 CO 0.00 -0.83 0.59 -0.06 0.00 0.00 0.00 175.76 175.46 1eaf s PHE 596 N -3.89 3.44 0.01 0.00 0.08 -1.26 -0.43 117.98 115.92 1eaf s PHE 596 Ca 0.11 0.94 -0.01 0.00 0.12 0.00 0.00 56.93 58.09 1eaf s PHE 596 Cb -0.01 -2.72 -0.04 0.00 -0.57 0.00 0.00 43.02 39.68 1eaf s PHE 596 CO -0.01 -0.04 0.15 -0.65 -0.10 0.00 0.00 175.22 174.58 1eaf s GLN 597 N 1.39 3.30 -0.13 0.44 -1.52 0.47 -4.81 119.66 118.81 1eaf s GLN 597 Ca 0.29 -0.41 -0.29 0.00 -1.95 0.00 0.00 55.36 52.99 1eaf s GLN 597 Cb -0.16 -3.00 -0.02 0.00 -0.22 0.00 0.00 33.01 29.61 1eaf s GLN 597 CO 0.11 0.65 1.35 -1.25 -0.25 0.00 0.00 175.29 175.90 1eaf s PRO 598 N -2.02 4.23 0.02 2.91 0.04 -1.26 -1.31 135.00 137.61 1eaf s PRO 598 Ca 0.28 1.79 0.08 0.00 0.04 0.00 0.00 61.00 63.18 1eaf s PRO 598 Cb -0.12 -3.80 -0.02 0.00 0.04 0.00 0.00 34.50 30.59 1eaf s PRO 598 CO 0.19 -0.72 -0.23 1.03 0.04 0.00 0.00 177.00 177.31 1eaf s ARG 599 N 3.54 1.63 -0.39 4.56 1.81 -0.39 -4.92 118.95 124.79 1eaf s ARG 599 Ca 0.59 -0.92 -0.27 0.00 -1.72 0.00 0.00 55.73 53.41 1eaf s ARG 599 Cb -0.25 -1.70 0.02 0.00 -0.45 0.00 0.00 34.95 32.58 1eaf s ARG 599 CO 0.19 0.45 1.01 -1.17 -0.68 0.00 0.00 175.30 175.09 1eaf s LEU 600 N -0.94 3.90 -0.13 2.53 2.96 -1.26 -1.00 118.68 124.73 1eaf s LEU 600 Ca 0.09 0.63 -0.03 0.00 -0.22 0.00 0.00 54.13 54.60 1eaf s LEU 600 Cb -0.09 -3.39 -0.03 0.00 0.50 0.00 0.00 46.19 43.18 1eaf s LEU 600 CO 0.01 -0.97 -0.01 -0.04 -1.32 0.00 0.00 176.35 174.02 1eaf s MET 601 N 3.76 3.45 -0.27 1.98 -1.94 0.02 -0.49 119.30 125.80 1eaf s MET 601 Ca 0.42 -0.45 -0.09 0.00 -1.71 0.00 0.00 55.69 53.86 1eaf s MET 601 Cb -0.11 -2.91 -0.03 0.00 2.01 0.00 0.00 34.83 33.79 1eaf s MET 601 CO 0.21 0.42 0.13 -1.17 -0.01 0.00 0.00 175.02 174.60 1eaf s LEU 602 N -0.11 3.76 -0.00 -0.03 2.96 0.06 -1.80 118.68 123.52 1eaf s LEU 602 Ca 0.04 -0.17 -0.30 0.00 -0.22 0.00 0.00 54.13 53.47 1eaf s LEU 602 Cb -0.13 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 1eaf s LEU 602 CO 0.02 -0.06 1.18 -2.84 -1.32 0.00 0.00 176.35 173.33 1eaf s PRO 603 N 1.67 4.40 0.03 0.98 0.02 -1.26 -0.96 135.00 139.88 1eaf s PRO 603 Ca 0.06 1.68 0.08 0.00 0.02 0.00 0.00 61.00 62.85 1eaf s PRO 603 Cb -0.16 -3.47 -0.03 0.00 0.02 0.00 0.00 34.50 30.87 1eaf s PRO 603 CO 0.07 -0.33 -0.23 -0.51 -0.33 0.00 0.00 177.00 175.67 1eaf s LEU 604 N 1.65 2.32 -0.26 -5.54 1.43 0.50 -2.15 118.68 116.63 1eaf s LEU 604 Ca 0.57 -0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 53.14 1eaf s LEU 604 Cb -0.26 -1.38 0.09 0.00 0.03 0.00 0.00 46.19 44.66 1eaf s LEU 604 CO 0.25 0.27 0.09 -0.44 0.23 0.00 0.00 176.35 176.76 1eaf s SER 605 N -1.17 3.42 -0.38 2.29 0.01 -0.29 -1.63 113.70 115.95 1eaf s SER 605 Ca 0.12 -1.22 -0.16 0.00 1.31 0.00 0.00 55.95 56.01 1eaf s SER 605 Cb -0.10 -0.56 0.00 0.00 0.21 0.00 0.00 66.02 65.57 1eaf s SER 605 CO 0.02 -0.39 0.37 -0.22 0.41 0.00 0.00 173.24 173.43 1eaf s LEU 606 N 1.89 4.67 -0.00 2.44 2.96 -0.06 -0.01 118.68 130.57 1eaf s LEU 606 Ca 0.06 -0.47 -0.13 0.00 -0.22 0.00 0.00 54.13 53.37 1eaf s LEU 606 Cb -0.17 -2.31 -0.05 0.00 0.50 0.00 0.00 46.19 44.16 1eaf s LEU 606 CO -0.23 -0.42 0.37 -0.44 -1.32 0.00 0.00 176.35 174.31 1eaf s SER 607 N 1.75 6.73 0.05 3.68 0.01 -0.79 -0.59 113.70 124.54 1eaf s SER 607 Ca 0.10 0.87 -0.01 0.00 1.31 0.00 0.00 55.95 58.22 1eaf s SER 607 Cb -0.17 -2.21 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 1eaf s SER 607 CO 0.12 0.31 -0.02 -0.72 0.41 0.00 0.00 173.24 173.34 1eaf s TYR 608 N -1.12 0.45 -0.52 2.43 1.13 -0.43 -1.26 117.35 118.02 1eaf s TYR 608 Ca 0.24 -0.94 -0.28 0.00 -1.41 0.00 0.00 57.07 54.68 1eaf s TYR 608 Cb -0.16 -0.33 0.03 0.00 -1.10 0.00 0.00 41.96 40.40 1eaf s TYR 608 CO 0.13 -0.35 1.12 0.34 -2.51 0.00 0.00 175.55 174.28 1eaf s ASP 609 N -2.63 6.53 0.02 -0.18 -1.08 -0.32 -1.88 116.67 117.12 1eaf s ASP 609 Ca 0.02 0.23 0.17 0.00 -0.52 0.00 0.00 52.55 52.45 1eaf s ASP 609 Cb 0.04 -2.53 0.71 0.00 -1.46 0.00 0.00 42.92 39.68 1eaf s ASP 609 CO -0.08 -1.32 1.53 1.57 0.52 0.00 0.00 175.17 177.39 1eaf n HIS 610 N 7.97 0.05 0.06 -5.34 -0.00 -0.48 -1.20 115.22 116.27 1eaf n HIS 610 Ca 0.09 0.02 -0.01 0.00 -0.00 0.00 0.00 57.72 57.82 1eaf n HIS 610 Cb 0.49 -0.53 0.27 0.00 -0.00 0.00 0.00 29.99 30.22 1eaf n HIS 610 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1eaf h ARG 611 N 0.00 0.37 0.00 1.57 3.08 -1.92 -3.31 114.38 114.18 1eaf h ARG 611 Ca 0.00 -0.12 -0.32 0.00 0.07 0.00 0.00 59.98 59.61 1eaf h ARG 611 Cb 0.29 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.25 1eaf h ARG 611 CO 0.00 0.58 -2.21 0.28 -1.07 0.00 0.00 179.97 177.55 1eaf n VAL 612 N -4.16 1.21 -4.97 2.04 0.31 -0.73 -4.96 118.33 107.07 1eaf n VAL 612 Ca -0.00 -0.60 -0.31 0.00 -0.01 0.00 0.00 64.34 63.42 1eaf n VAL 612 Cb 0.36 -0.93 -0.17 0.00 -0.91 0.00 0.00 33.84 32.20 1eaf n VAL 612 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1eaf s ILE 613 N -2.43 1.86 0.60 2.52 1.01 -0.34 -5.06 121.20 119.36 1eaf s ILE 613 Ca -0.19 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.55 1eaf s ILE 613 Cb 0.06 -1.63 0.04 0.00 0.01 0.00 0.00 42.46 40.95 1eaf s ILE 613 CO 0.60 0.51 0.85 0.20 0.00 0.00 0.00 174.94 177.11 1eaf s ASN 614 N 0.52 5.13 0.17 3.58 0.01 -1.26 -4.01 114.94 119.08 1eaf s ASN 614 Ca -0.15 0.15 -0.15 0.00 -0.71 0.00 0.00 52.86 52.00 1eaf s ASN 614 Cb -0.17 -0.97 0.14 0.00 0.41 0.00 0.00 41.25 40.66 1eaf s ASN 614 CO 0.06 -1.29 1.70 1.23 -1.51 0.00 0.00 177.10 177.29 1eaf h GLY 615 N -0.15 0.47 1.75 0.66 0.00 -1.99 -2.13 103.07 101.68 1eaf h GLY 615 Ca -0.43 0.03 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 1eaf h GLY 615 CO 0.55 -0.09 -0.25 0.00 0.00 0.00 0.00 176.54 176.74 1eaf h ALA 616 N 1.37 1.28 -0.25 3.60 0.00 -1.98 -0.94 119.26 122.34 1eaf h ALA 616 Ca 0.22 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1eaf h ALA 616 Cb 0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1eaf h ALA 616 CO -0.34 0.48 -0.18 0.00 0.00 0.00 0.00 179.25 179.22 1eaf h ALA 617 N 1.48 0.36 -0.51 0.00 0.00 -1.85 -1.37 119.26 117.37 1eaf h ALA 617 Ca 0.04 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 1eaf h ALA 617 Cb 0.59 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1eaf h ALA 617 CO 0.04 0.28 -0.18 0.00 0.00 0.00 0.00 179.25 179.39 1eaf h ALA 618 N 0.70 0.71 -0.04 0.00 0.00 -1.15 -0.00 119.26 119.48 1eaf h ALA 618 Ca 0.05 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 1eaf h ALA 618 Cb 0.71 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1eaf h ALA 618 CO 0.05 0.67 -0.47 0.00 0.00 0.00 0.00 179.25 179.51 1eaf h ALA 619 N 0.89 1.15 -0.28 0.00 0.00 -1.16 -1.83 119.26 118.03 1eaf h ALA 619 Ca 0.12 -0.44 -0.18 0.00 0.00 0.00 0.00 54.91 54.42 1eaf h ALA 619 Cb 0.76 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1eaf h ALA 619 CO 0.06 0.61 -0.54 -0.09 0.00 0.00 0.00 179.25 179.29 1eaf h ARG 620 N 0.08 0.84 -0.09 0.00 2.43 -0.86 -1.95 114.38 114.82 1eaf h ARG 620 Ca 0.00 -0.52 -0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1eaf h ARG 620 Cb 0.86 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1eaf h ARG 620 CO 0.07 1.16 0.04 0.35 -1.51 0.00 0.00 179.97 180.07 1eaf h PHE 621 N 0.64 0.13 0.00 2.20 3.04 -0.67 -0.80 116.94 121.48 1eaf h PHE 621 Ca 0.02 -0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.85 1eaf h PHE 621 Cb 1.13 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.59 1eaf h PHE 621 CO 0.07 0.21 -0.54 1.79 -2.02 0.00 0.00 178.31 177.82 1eaf h THR 622 N 0.02 1.33 -0.17 4.41 1.35 -1.32 -0.90 112.91 117.62 1eaf h THR 622 Ca 0.03 -1.89 -0.03 0.00 -0.55 0.00 0.00 66.41 63.97 1eaf h THR 622 Cb 0.13 2.04 -0.01 0.00 -1.73 0.00 0.00 68.15 68.58 1eaf h THR 622 CO -0.00 0.53 -0.01 0.50 -0.25 0.00 0.00 175.52 176.28 1eaf h LYS 623 N 0.00 0.31 -0.55 4.72 3.64 -1.16 -0.70 116.57 122.83 1eaf h LYS 623 Ca -0.01 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1eaf h LYS 623 Cb 0.99 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 1eaf h LYS 623 CO 0.07 0.55 0.26 0.00 -2.27 0.00 0.00 179.45 178.06 1eaf h ARG 624 N 0.05 0.79 -0.59 1.90 2.47 -1.02 -0.86 114.38 117.12 1eaf h ARG 624 Ca 0.05 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1eaf h ARG 624 Cb 0.41 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.57 1eaf h ARG 624 CO 0.01 0.65 0.37 1.25 0.56 0.00 0.00 179.97 182.82 1eaf h LEU 625 N 0.74 0.69 -1.16 3.04 5.85 -0.99 -1.06 115.31 122.42 1eaf h LEU 625 Ca 0.19 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1eaf h LEU 625 Cb 0.13 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1eaf h LEU 625 CO -0.02 0.53 0.31 1.23 -0.34 0.00 0.00 178.44 180.15 1eaf h GLY 626 N 0.80 0.96 0.93 3.75 0.00 -0.55 -0.86 103.07 108.10 1eaf h GLY 626 Ca 0.21 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 1eaf h GLY 626 CO -0.04 0.43 0.11 -0.55 0.00 0.00 0.00 176.54 176.49 1eaf h ASP 627 N 0.90 0.56 -0.68 0.19 3.32 -0.53 -0.51 116.42 119.66 1eaf h ASP 627 Ca 0.22 -0.21 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 1eaf h ASP 627 Cb 0.08 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1eaf h ASP 627 CO -0.03 0.62 0.14 -0.07 -1.72 0.00 0.00 179.24 178.19 1eaf h LEU 628 N 0.47 1.06 -1.08 1.55 3.38 -0.78 -1.25 115.31 118.66 1eaf h LEU 628 Ca 0.12 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1eaf h LEU 628 Cb 0.27 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1eaf h LEU 628 CO -0.00 1.03 -0.40 -0.07 0.09 0.00 0.00 178.44 179.09 1eaf h LEU 629 N 1.04 0.00 -0.67 1.67 3.38 -1.03 -1.32 115.31 118.39 1eaf h LEU 629 Ca 0.21 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.04 1eaf h LEU 629 Cb 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1eaf h LEU 629 CO 0.01 0.40 -0.66 0.00 0.09 0.00 0.00 178.44 178.27 1eaf h ALA 630 N 1.60 0.90 -1.48 1.53 0.00 -0.39 -3.40 119.26 118.02 1eaf h ALA 630 Ca -0.00 -0.60 -0.15 0.00 0.00 0.00 0.00 54.91 54.15 1eaf h ALA 630 Cb 0.82 -0.11 -0.26 0.00 0.00 0.00 0.00 17.79 18.25 1eaf h ALA 630 CO 0.05 0.83 -0.51 0.34 0.00 0.00 0.00 179.25 179.96 1eaf s ASP 631 N -6.83 -0.24 0.00 0.00 -1.08 -0.54 -4.82 116.67 103.16 1eaf s ASP 631 Ca -0.01 -0.49 0.21 0.00 -0.52 0.00 0.00 52.55 51.74 1eaf s ASP 631 Cb 0.12 1.37 1.03 0.00 -1.46 0.00 0.00 42.92 43.98 1eaf s ASP 631 CO 0.77 -0.30 1.69 0.00 0.52 0.00 0.00 175.17 177.85 1eaf n ILE 632 N 5.06 0.40 0.30 4.11 0.13 -0.54 -1.77 119.36 127.06 1eaf n ILE 632 Ca 0.05 0.10 0.18 0.00 -1.10 0.00 0.00 62.75 61.98 1eaf n ILE 632 Cb 0.51 -0.74 0.84 0.00 -0.84 0.00 0.00 39.64 39.40 1eaf n ILE 632 CO 0.00 0.00 0.00 0.03 2.80 0.00 0.00 176.55 179.38 1eaf h ARG 633 N 0.00 0.00 0.00 9.51 3.08 -1.95 -1.90 114.38 123.12 1eaf h ARG 633 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1eaf h ARG 633 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1eaf h ARG 633 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 1eaf h ALA 634 N 2.04 1.00 0.00 0.04 0.00 -1.68 -1.23 119.26 119.43 1eaf h ALA 634 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1eaf h ALA 634 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1eaf h ALA 634 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 179.25 180.22 1eaf h ILE 635 N 0.00 0.00 0.00 0.00 6.09 -1.59 -2.92 117.51 119.09 1eaf h ILE 635 Ca 0.00 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 63.23 1eaf h ILE 635 Cb 0.26 1.14 0.00 0.00 0.47 0.00 0.00 36.82 38.69 1eaf h ILE 635 CO 0.00 0.00 -0.23 0.18 -3.07 0.00 0.00 178.15 175.03 1eaf n LEU 636 N -2.81 0.54 -0.61 2.19 4.32 -0.47 -5.14 117.00 115.03 1eaf n LEU 636 Ca -0.00 0.39 0.13 0.00 -0.02 0.00 0.00 56.01 56.51 1eaf n LEU 636 Cb 0.19 -0.32 0.41 0.00 -1.62 0.00 0.00 43.42 42.09 1eaf n LEU 636 CO 0.22 -0.06 0.81 0.00 -1.22 0.00 0.00 177.39 177.13