#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3afb h PRO 408 N 0.00 0.00 0.00 1.61 0.13 -2.04 -3.31 132.00 128.39 3afb h PRO 408 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3afb h PRO 408 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3afb h PRO 408 CO 0.00 0.24 -0.05 0.09 -0.23 0.00 0.00 178.00 178.05 3afb n ASN 409 N -4.05 0.99 -3.56 1.44 3.02 -1.26 -5.05 115.26 106.79 3afb n ASN 409 Ca -0.02 -1.68 -0.16 0.00 -0.03 0.00 0.00 54.58 52.69 3afb n ASN 409 Cb 0.31 -0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 39.36 3afb n ASN 409 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3afb s ALA 410 N -0.65 -1.54 0.22 5.41 0.00 -1.25 -4.90 121.76 119.05 3afb s ALA 410 Ca 0.03 1.03 0.07 0.00 0.00 0.00 0.00 51.96 53.09 3afb s ALA 410 Cb 0.03 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 3afb s ALA 410 CO 0.00 -0.38 0.10 -0.80 0.00 0.00 0.00 175.76 174.68 3afb s ASN 411 N -1.37 5.16 0.42 0.00 0.01 -1.26 -1.29 114.94 116.60 3afb s ASN 411 Ca -0.10 -0.34 -0.25 0.00 -0.71 0.00 0.00 52.86 51.46 3afb s ASN 411 Cb -0.01 -1.22 -0.08 0.00 0.41 0.00 0.00 41.25 40.35 3afb s ASN 411 CO 0.07 0.02 1.25 -2.16 -1.51 0.00 0.00 177.10 174.77 3afb s PRO 412 N -3.45 3.93 -0.17 -0.60 0.04 -1.26 -4.87 135.00 128.62 3afb s PRO 412 Ca 0.31 2.02 -0.08 0.00 0.04 0.00 0.00 61.00 63.29 3afb s PRO 412 Cb -0.08 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.74 3afb s PRO 412 CO 0.22 -0.48 0.11 0.42 0.04 0.00 0.00 177.00 177.31 3afb s ILE 413 N -1.34 5.19 0.76 0.56 1.01 -1.26 -4.86 121.20 121.27 3afb s ILE 413 Ca 0.58 0.11 -0.15 0.00 0.00 0.00 0.00 60.65 61.19 3afb s ILE 413 Cb -0.35 -3.33 0.04 0.00 0.01 0.00 0.00 42.46 38.83 3afb s ILE 413 CO 0.44 0.49 1.06 -2.65 0.00 0.00 0.00 174.94 174.28 3afb n PRO 414 N 3.15 0.39 -0.26 2.79 -0.02 -1.26 -4.90 135.00 134.89 3afb n PRO 414 Ca -0.17 0.20 0.06 0.00 -2.02 0.00 0.00 63.50 61.57 3afb n PRO 414 Cb 0.53 -2.31 0.30 0.00 -0.02 0.00 0.00 33.50 31.99 3afb n PRO 414 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3afb h GLU 415 N -0.51 0.87 -4.83 -0.52 4.57 -1.92 -3.33 114.58 108.90 3afb h GLU 415 Ca -0.47 -0.05 -0.68 0.00 -1.18 0.00 0.00 59.36 56.98 3afb h GLU 415 Cb 1.32 -0.20 -0.35 0.00 -0.16 0.00 0.00 28.75 29.36 3afb h GLU 415 CO 0.46 0.57 -0.76 -1.01 -1.18 0.00 0.00 179.01 177.10 3afb s HIS 416 N -5.80 3.25 0.21 0.92 3.76 -1.26 -4.80 115.29 111.57 3afb s HIS 416 Ca -0.11 -2.12 0.08 0.00 -0.15 0.00 0.00 55.06 52.77 3afb s HIS 416 Cb 0.20 -2.00 -0.05 0.00 1.11 0.00 0.00 32.58 31.84 3afb s HIS 416 CO 0.79 -0.84 -0.16 -0.59 -0.85 0.00 0.00 174.74 173.08 3afb s PHE 417 N 1.17 1.81 -0.16 1.40 -0.12 -0.74 -4.65 117.98 116.69 3afb s PHE 417 Ca -0.07 -0.52 0.01 0.00 -0.05 0.00 0.00 56.93 56.30 3afb s PHE 417 Cb -0.20 -0.84 0.02 0.00 -0.63 0.00 0.00 43.02 41.37 3afb s PHE 417 CO -0.04 0.40 -0.15 0.12 -0.05 0.00 0.00 175.22 175.51 3afb s PHE 418 N -2.71 2.30 -0.41 3.49 5.36 -1.26 -1.37 117.98 123.39 3afb s PHE 418 Ca 0.22 -1.34 0.05 0.00 -0.96 0.00 0.00 56.93 54.90 3afb s PHE 418 Cb -0.02 -1.66 0.18 0.00 -0.34 0.00 0.00 43.02 41.18 3afb s PHE 418 CO 0.08 -0.70 0.37 0.00 -1.46 0.00 0.00 175.22 173.51 3afb n ALA 419 N 4.74 2.71 -1.32 11.12 0.00 -0.91 -4.51 120.51 132.32 3afb n ALA 419 Ca -0.17 -3.10 -0.32 0.00 0.00 0.00 0.00 53.44 49.85 3afb n ALA 419 Cb 0.50 -0.77 0.08 0.00 0.00 0.00 0.00 19.45 19.25 3afb n ALA 419 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3afb s PRO 420 N -0.09 2.38 0.19 0.00 0.04 -1.26 -3.33 135.00 132.94 3afb s PRO 420 Ca 0.33 1.28 -0.30 0.00 0.04 0.00 0.00 61.00 62.35 3afb s PRO 420 Cb 0.06 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.61 3afb s PRO 420 CO -0.19 -1.56 1.07 0.71 0.04 0.00 0.00 177.00 177.07 3afb s TYR 421 N -2.68 3.66 -0.15 0.56 1.51 -0.66 -1.19 117.35 118.40 3afb s TYR 421 Ca 0.64 1.67 0.02 0.00 -1.01 0.00 0.00 57.07 58.39 3afb s TYR 421 Cb -0.19 -3.22 0.01 0.00 -0.11 0.00 0.00 41.96 38.46 3afb s TYR 421 CO 0.51 -0.38 -0.20 0.42 -1.11 0.00 0.00 175.55 174.79 3afb s ILE 422 N -0.44 2.18 -0.62 2.71 1.01 -0.24 -0.54 121.20 125.25 3afb s ILE 422 Ca 0.47 -0.93 -0.27 0.00 0.00 0.00 0.00 60.65 59.92 3afb s ILE 422 Cb -0.29 -1.89 0.02 0.00 0.01 0.00 0.00 42.46 40.31 3afb s ILE 422 CO 0.35 0.54 1.39 -0.62 0.00 0.00 0.00 174.94 176.60 3afb s ASP 423 N 0.96 6.09 0.38 3.58 -1.08 -1.26 -1.10 116.67 124.24 3afb s ASP 423 Ca -0.03 0.05 0.28 0.00 -0.52 0.00 0.00 52.55 52.33 3afb s ASP 423 Cb -0.15 -2.55 1.17 0.00 -1.46 0.00 0.00 42.92 39.93 3afb s ASP 423 CO -0.05 -1.79 1.83 0.24 0.52 0.00 0.00 175.17 175.92 3afb h MET 424 N 10.98 0.00 0.00 4.34 2.86 -1.26 -2.97 114.93 128.87 3afb h MET 424 Ca -0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 3afb h MET 424 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 3afb h MET 424 CO 1.21 0.00 -0.09 -1.13 1.06 0.00 0.00 176.91 177.96 3afb n SER 425 N -2.58 0.30 -4.76 1.22 3.41 -1.26 -4.90 113.62 105.05 3afb n SER 425 Ca 0.01 0.42 -0.40 0.00 -0.26 0.00 0.00 58.87 58.64 3afb n SER 425 Cb 0.25 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 63.71 3afb n SER 425 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3afb s LEU 426 N -3.47 4.46 0.45 1.04 1.43 -1.13 -4.92 118.68 116.55 3afb s LEU 426 Ca 0.12 2.37 0.19 0.00 -1.03 0.00 0.00 54.13 55.79 3afb s LEU 426 Cb 0.17 -3.70 1.08 0.00 0.03 0.00 0.00 46.19 43.77 3afb s LEU 426 CO 0.58 -0.31 1.96 0.28 0.23 0.00 0.00 176.35 179.09 3afb h SER 427 N 3.51 0.00 0.34 2.29 0.02 -1.92 -2.25 113.55 115.54 3afb h SER 427 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3afb h SER 427 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3afb h SER 427 CO 0.66 0.22 0.00 0.55 -1.14 0.00 0.00 176.83 177.12 3afb n VAL 428 N -3.94 1.31 -1.67 2.27 3.14 -1.26 -4.88 118.33 113.30 3afb n VAL 428 Ca -0.02 0.34 -0.58 0.00 -2.96 0.00 0.00 64.34 61.12 3afb n VAL 428 Cb 0.30 -1.17 -0.08 0.00 -1.06 0.00 0.00 33.84 31.83 3afb n VAL 428 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 3afb n HIS 429 N -1.53 1.97 -2.83 1.45 -0.00 -0.85 -4.98 115.22 108.45 3afb n HIS 429 Ca 0.02 0.56 -0.27 0.00 0.46 0.00 0.00 57.72 58.49 3afb n HIS 429 Cb 0.12 -2.45 -0.01 0.00 -0.12 0.00 0.00 29.99 27.53 3afb n HIS 429 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 3afb s LYS 430 N 3.87 3.56 0.43 1.57 1.02 -1.26 -5.05 119.74 123.89 3afb s LYS 430 Ca 1.01 0.13 -0.25 0.00 0.02 0.00 0.00 55.97 56.88 3afb s LYS 430 Cb -1.10 -2.44 -0.09 0.00 -0.52 0.00 0.00 37.83 33.68 3afb s LYS 430 CO 0.66 -0.10 1.23 -2.30 -0.92 0.00 0.00 175.35 173.91 3afb n PRO 431 N -1.99 1.79 -0.34 -1.68 -0.02 -1.26 -4.82 135.00 126.68 3afb n PRO 431 Ca -0.00 0.64 0.12 0.00 -2.02 0.00 0.00 63.50 62.23 3afb n PRO 431 Cb 0.55 -2.33 0.30 0.00 -0.02 0.00 0.00 33.50 32.00 3afb n PRO 431 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3afb h LEU 432 N 1.91 0.75 -1.43 2.45 3.38 -1.97 -0.29 115.31 120.10 3afb h LEU 432 Ca -0.47 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 3afb h LEU 432 Cb 1.30 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 3afb h LEU 432 CO 0.59 0.28 0.16 1.62 0.09 0.00 0.00 178.44 181.18 3afb h VAL 433 N 0.75 1.15 -0.22 1.22 3.04 -1.89 -0.97 116.25 119.33 3afb h VAL 433 Ca 0.56 -0.45 -0.10 0.00 -1.01 0.00 0.00 66.70 65.69 3afb h VAL 433 Cb 0.84 0.67 -0.00 0.00 -2.01 0.00 0.00 31.29 30.79 3afb h VAL 433 CO -0.38 0.18 -0.27 -0.08 -1.01 0.00 0.00 177.57 176.01 3afb h GLU 434 N 0.55 0.57 -0.86 4.17 4.81 -1.42 -2.47 114.58 119.92 3afb h GLU 434 Ca 0.14 -0.32 0.09 0.00 -0.13 0.00 0.00 59.36 59.13 3afb h GLU 434 Cb 0.10 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.44 3afb h GLU 434 CO -0.02 0.92 0.56 1.88 -0.73 0.00 0.00 179.01 181.62 3afb h TYR 435 N 0.25 0.92 -0.12 0.92 0.99 -1.01 -1.72 116.97 117.20 3afb h TYR 435 Ca 0.03 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.79 3afb h TYR 435 Cb 0.84 -0.30 -0.01 0.00 1.00 0.00 0.00 36.73 38.27 3afb h TYR 435 CO 0.08 0.44 0.07 0.00 -0.00 0.00 0.00 178.16 178.75 3afb h ALA 436 N 1.56 0.14 -1.00 3.88 0.00 -0.93 0.13 119.26 123.03 3afb h ALA 436 Ca 0.39 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.35 3afb h ALA 436 Cb 0.36 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 3afb h ALA 436 CO -0.16 -0.38 0.65 -0.22 0.00 0.00 0.00 179.25 179.15 3afb h LYS 437 N 0.14 1.19 0.13 0.00 3.64 -1.07 -0.96 116.57 119.64 3afb h LYS 437 Ca 0.04 -0.07 -0.24 0.00 -1.27 0.00 0.00 60.65 59.12 3afb h LYS 437 Cb -0.01 -0.27 0.03 0.00 -0.41 0.00 0.00 32.23 31.57 3afb h LYS 437 CO -0.02 0.79 -1.00 -0.07 -2.27 0.00 0.00 179.45 176.88 3afb h LEU 438 N 1.23 0.66 0.00 5.20 3.38 -0.97 -3.36 115.31 121.45 3afb h LEU 438 Ca 0.41 -0.87 -0.16 0.00 0.09 0.00 0.00 57.88 57.35 3afb h LEU 438 Cb 0.07 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3afb h LEU 438 CO -0.15 1.47 -1.02 0.71 0.09 0.00 0.00 178.44 179.55 3afb h THR 439 N -0.06 0.83 0.00 0.22 1.35 -0.76 -3.47 112.91 111.01 3afb h THR 439 Ca -0.16 -2.32 0.00 0.00 -0.55 0.00 0.00 66.41 63.38 3afb h THR 439 Cb 1.74 2.32 0.00 0.00 -1.73 0.00 0.00 68.15 70.48 3afb h THR 439 CO 0.19 0.47 0.00 0.61 -0.25 0.00 0.00 175.52 176.54 3afb n GLY 440 N 1.33 1.30 3.53 5.82 0.00 -0.37 -4.02 105.19 112.78 3afb n GLY 440 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 3afb n GLY 440 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3afb s THR 441 N -2.79 3.62 -0.22 2.61 -1.32 -1.24 -4.84 115.64 111.45 3afb s THR 441 Ca 0.00 -0.49 0.15 0.00 -1.21 0.00 0.00 61.69 60.13 3afb s THR 441 Cb 0.00 -2.50 0.74 0.00 -1.51 0.00 0.00 72.50 69.23 3afb s THR 441 CO 0.00 0.57 1.66 2.29 -2.21 0.00 0.00 174.62 176.93 3afb n LYS 442 N 2.63 4.34 -5.23 7.08 2.85 -1.26 -4.12 118.16 124.44 3afb n LYS 442 Ca -0.18 -3.08 -0.31 0.00 -1.05 0.00 0.00 58.31 53.68 3afb n LYS 442 Cb 0.53 -2.16 -0.17 0.00 -0.65 0.00 0.00 35.03 32.59 3afb n LYS 442 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3afb s TYR 443 N -2.80 2.44 0.04 5.58 1.51 -1.26 -1.87 117.35 120.99 3afb s TYR 443 Ca 0.51 -0.81 0.01 0.00 -1.01 0.00 0.00 57.07 55.77 3afb s TYR 443 Cb 0.40 -1.61 -0.03 0.00 -0.11 0.00 0.00 41.96 40.61 3afb s TYR 443 CO 0.14 -0.28 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.18 3afb s PHE 444 N 0.00 0.53 -0.32 2.71 0.40 -1.15 -3.98 117.98 116.18 3afb s PHE 444 Ca -0.08 -0.58 -0.12 0.00 -0.60 0.00 0.00 56.93 55.54 3afb s PHE 444 Cb -0.15 -0.34 -0.03 0.00 0.51 0.00 0.00 43.02 43.02 3afb s PHE 444 CO 0.05 -0.15 0.22 0.99 0.70 0.00 0.00 175.22 177.04 3afb s THR 445 N -1.76 5.25 -0.20 0.64 2.01 -0.33 -0.83 115.64 120.41 3afb s THR 445 Ca -0.09 -0.11 -0.21 0.00 0.31 0.00 0.00 61.69 61.59 3afb s THR 445 Cb -0.08 -3.64 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 3afb s THR 445 CO -0.01 0.08 0.65 -0.76 -0.69 0.00 0.00 174.62 173.88 3afb s LEU 446 N 1.73 4.14 -0.00 4.42 1.43 0.40 -1.08 118.68 129.71 3afb s LEU 446 Ca 0.06 0.85 0.07 0.00 -1.03 0.00 0.00 54.13 54.08 3afb s LEU 446 Cb -0.17 -2.92 -0.02 0.00 0.03 0.00 0.00 46.19 43.12 3afb s LEU 446 CO 0.10 -0.29 -0.21 0.00 0.23 0.00 0.00 176.35 176.19 3afb s ALA 447 N 1.98 1.72 0.04 4.21 0.00 -0.25 -0.86 121.76 128.59 3afb s ALA 447 Ca 0.29 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.38 3afb s ALA 447 Cb -0.16 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 3afb s ALA 447 CO 0.10 0.41 -0.13 -0.06 0.00 0.00 0.00 175.76 176.08 3afb s PHE 448 N -0.55 1.16 0.04 0.00 0.40 -1.26 -0.63 117.98 117.15 3afb s PHE 448 Ca 0.08 -0.36 -0.28 0.00 -0.60 0.00 0.00 56.93 55.77 3afb s PHE 448 Cb -0.08 -0.69 -0.05 0.00 0.51 0.00 0.00 43.02 42.71 3afb s PHE 448 CO -0.00 0.03 0.89 0.42 0.70 0.00 0.00 175.22 177.26 3afb s ILE 449 N -0.87 4.73 0.29 0.64 -1.09 0.42 -0.51 121.20 124.81 3afb s ILE 449 Ca 0.01 1.90 0.02 0.00 -2.23 0.00 0.00 60.65 60.35 3afb s ILE 449 Cb -0.08 -4.24 -0.05 0.00 -1.58 0.00 0.00 42.46 36.51 3afb s ILE 449 CO 0.01 0.27 0.11 -0.76 -1.23 0.00 0.00 174.94 173.34 3afb s LEU 450 N 0.40 1.73 0.13 2.97 1.43 -0.16 -1.73 118.68 123.45 3afb s LEU 450 Ca 0.46 -1.45 -0.30 0.00 -1.03 0.00 0.00 54.13 51.80 3afb s LEU 450 Cb -0.21 0.01 -0.07 0.00 0.03 0.00 0.00 46.19 45.95 3afb s LEU 450 CO 0.26 -0.78 1.26 -0.47 0.23 0.00 0.00 176.35 176.86 3afb s TYR 451 N -3.62 3.36 -0.16 0.29 5.04 -0.46 -1.47 117.35 120.32 3afb s TYR 451 Ca 0.36 1.23 -0.02 0.00 -2.44 0.00 0.00 57.07 56.20 3afb s TYR 451 Cb 0.07 -3.52 -0.02 0.00 0.35 0.00 0.00 41.96 38.84 3afb s TYR 451 CO 0.15 -1.63 -0.07 0.45 -1.34 0.00 0.00 175.55 173.10 3afb s SER 452 N 0.72 4.35 0.27 4.32 0.15 0.18 -4.61 113.70 119.08 3afb s SER 452 Ca 0.58 -0.28 0.05 0.00 0.70 0.00 0.00 55.95 57.01 3afb s SER 452 Cb -0.33 -1.70 0.35 0.00 -1.71 0.00 0.00 66.02 62.63 3afb s SER 452 CO 0.33 0.11 1.63 0.77 1.20 0.00 0.00 173.24 177.28 3afb h SER 453 N 7.12 0.26 -0.25 5.45 4.64 -1.86 0.17 113.55 129.08 3afb h SER 453 Ca -0.32 -0.13 0.02 0.00 -0.47 0.00 0.00 61.79 60.89 3afb h SER 453 Cb 1.19 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 3afb h SER 453 CO 0.59 0.72 0.10 0.58 -0.87 0.00 0.00 176.83 177.96 3afb h VAL 454 N 0.19 0.97 -0.01 0.95 2.07 -1.94 -2.88 116.25 115.59 3afb h VAL 454 Ca 0.01 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3afb h VAL 454 Cb 0.96 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3afb h VAL 454 CO 0.08 0.04 -0.28 -1.22 0.02 0.00 0.00 177.57 176.21 3afb n TYR 455 N -5.01 0.00 -4.01 1.57 4.02 -1.21 -4.98 117.16 107.55 3afb n TYR 455 Ca -0.02 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.53 3afb n TYR 455 Cb 0.07 -0.07 -0.01 0.00 -0.02 0.00 0.00 39.34 39.32 3afb n TYR 455 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3afb n ASN 456 N -0.27 -2.26 0.00 7.72 5.15 0.57 -4.85 115.26 121.33 3afb n ASN 456 Ca 0.12 -1.15 0.00 0.00 -0.60 0.00 0.00 54.58 52.95 3afb n ASN 456 Cb 0.40 -2.42 0.00 0.00 -0.53 0.00 0.00 39.78 37.23 3afb n ASN 456 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3afb n GLY 457 N -2.08 -1.17 3.77 8.20 0.00 -0.98 -4.98 105.19 107.95 3afb n GLY 457 Ca -0.21 -1.08 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 3afb n GLY 457 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3afb s PRO 458 N -1.44 4.25 0.08 1.61 0.04 -1.26 -0.65 135.00 137.63 3afb s PRO 458 Ca 0.00 2.37 -0.24 0.00 0.04 0.00 0.00 61.00 63.17 3afb s PRO 458 Cb 0.00 -3.04 0.06 0.00 0.04 0.00 0.00 34.50 31.56 3afb s PRO 458 CO 0.00 -0.36 0.57 0.00 0.04 0.00 0.00 177.00 177.25 3afb s ALA 459 N -0.89 -1.50 0.11 8.56 0.00 -0.54 -4.27 121.76 123.23 3afb s ALA 459 Ca 0.53 0.64 -0.30 0.00 0.00 0.00 0.00 51.96 52.82 3afb s ALA 459 Cb -0.43 0.55 -0.06 0.00 0.00 0.00 0.00 23.12 23.18 3afb s ALA 459 CO 0.55 -0.60 1.15 -1.58 0.00 0.00 0.00 175.76 175.27 3afb s TRP 460 N -2.87 3.50 -0.70 0.00 0.52 0.21 -0.99 118.94 118.63 3afb s TRP 460 Ca -0.03 1.44 0.00 0.00 0.02 0.00 0.00 56.10 57.53 3afb s TRP 460 Cb -0.00 -3.35 0.00 0.00 -1.15 0.00 0.00 33.47 28.96 3afb s TRP 460 CO -0.05 -0.95 0.00 0.00 0.02 0.00 0.00 176.95 175.97 3afb n ALA 461 N 3.24 -0.10 -1.47 0.98 0.00 0.34 -0.66 120.51 122.83 3afb n ALA 461 Ca 0.06 0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.46 3afb n ALA 461 Cb 0.46 -1.61 -0.06 0.00 0.00 0.00 0.00 19.45 18.24 3afb n ALA 461 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3afb n GLY 462 N 0.52 1.48 0.00 0.00 0.00 -1.06 -4.82 105.19 101.32 3afb n GLY 462 Ca -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3afb n GLY 462 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3afb n SER 463 N -0.46 0.00 -4.72 1.61 3.41 0.16 -4.45 113.62 109.17 3afb n SER 463 Ca -0.15 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.10 3afb n SER 463 Cb 0.50 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.38 3afb n SER 463 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3afb s ILE 464 N -1.00 5.32 0.30 -1.33 1.01 0.07 -4.91 121.20 120.67 3afb s ILE 464 Ca 0.00 0.48 -0.28 0.00 0.00 0.00 0.00 60.65 60.86 3afb s ILE 464 Cb 0.00 -3.61 -0.14 0.00 0.01 0.00 0.00 42.46 38.73 3afb s ILE 464 CO 0.00 0.39 1.03 -2.65 0.00 0.00 0.00 174.94 173.71 3afb n PRO 465 N 3.63 1.41 -0.30 2.79 -0.02 -1.26 -0.62 135.00 140.63 3afb n PRO 465 Ca -0.12 0.49 0.08 0.00 -2.02 0.00 0.00 63.50 61.93 3afb n PRO 465 Cb 0.52 -1.89 0.23 0.00 -0.02 0.00 0.00 33.50 32.34 3afb n PRO 465 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3afb h LEU 466 N 2.00 0.57 0.00 2.45 5.85 -1.93 -2.24 115.31 122.01 3afb h LEU 466 Ca -0.40 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3afb h LEU 466 Cb 1.34 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3afb h LEU 466 CO 0.60 0.24 0.00 -0.62 -0.34 0.00 0.00 178.44 178.33 3afb n GLU 467 N -4.85 0.98 -0.06 1.25 4.71 -1.26 -4.26 120.64 117.15 3afb n GLU 467 Ca 0.18 0.00 0.11 0.00 -0.01 0.00 0.00 57.16 57.44 3afb n GLU 467 Cb 0.44 -1.42 0.50 0.00 -1.01 0.00 0.00 31.44 29.95 3afb n GLU 467 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 3afb h LYS 468 N 0.00 0.39 -0.50 3.49 1.63 -1.75 -2.56 116.57 117.27 3afb h LYS 468 Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3afb h LYS 468 Cb 0.00 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.54 3afb h LYS 468 CO 0.00 0.26 0.00 1.19 -3.45 0.00 0.00 179.45 177.45 3afb n PHE 469 N -4.47 0.77 -0.10 1.91 3.01 -1.26 -4.56 117.46 112.76 3afb n PHE 469 Ca 0.09 -0.54 -0.08 0.00 1.01 0.00 0.00 57.45 57.93 3afb n PHE 469 Cb 0.33 -0.06 -0.00 0.00 -0.01 0.00 0.00 39.48 39.74 3afb n PHE 469 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3afb h VAL 470 N 2.97 1.03 -0.87 -4.37 2.07 -1.75 -1.62 116.25 113.71 3afb h VAL 470 Ca 0.00 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3afb h VAL 470 Cb 0.94 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 3afb h VAL 470 CO 0.04 0.07 0.50 0.44 0.02 0.00 0.00 177.57 178.64 3afb h ASP 471 N 0.40 1.07 -0.79 0.57 3.32 -1.82 -0.72 116.42 118.44 3afb h ASP 471 Ca 0.14 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 3afb h ASP 471 Cb 0.01 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.26 3afb h ASP 471 CO -0.07 0.84 0.34 -0.33 -1.72 0.00 0.00 179.24 178.30 3afb h GLU 472 N 1.21 1.18 -0.30 3.56 5.08 -1.71 -1.04 114.58 122.56 3afb h GLU 472 Ca 0.31 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 3afb h GLU 472 Cb -0.01 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 3afb h GLU 472 CO -0.05 0.94 -0.24 0.28 -1.00 0.00 0.00 179.01 178.93 3afb h VAL 473 N 1.16 1.30 -0.62 3.13 2.07 -0.90 -0.34 116.25 122.04 3afb h VAL 473 Ca 0.27 -1.39 0.09 0.00 0.82 0.00 0.00 66.70 66.49 3afb h VAL 473 Cb 0.18 1.52 -0.07 0.00 -1.52 0.00 0.00 31.29 31.40 3afb h VAL 473 CO -0.03 0.45 0.25 0.03 0.02 0.00 0.00 177.57 178.29 3afb h ARG 474 N 0.45 0.43 -0.60 1.57 3.08 -0.95 -0.44 114.38 117.92 3afb h ARG 474 Ca 0.06 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 3afb h ARG 474 Cb 0.80 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 3afb h ARG 474 CO 0.06 0.28 -0.01 0.93 -1.07 0.00 0.00 179.97 180.17 3afb h GLU 475 N 0.44 1.07 -0.90 0.04 4.39 -0.98 -2.32 114.58 116.33 3afb h GLU 475 Ca 0.31 -0.35 0.02 0.00 0.34 0.00 0.00 59.36 59.68 3afb h GLU 475 Cb 0.37 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.88 3afb h GLU 475 CO -0.29 1.05 0.59 1.25 -1.16 0.00 0.00 179.01 180.45 3afb h LEU 476 N 0.97 1.00 -1.64 1.33 5.85 -0.64 -2.52 115.31 119.67 3afb h LEU 476 Ca 0.17 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 3afb h LEU 476 Cb 0.57 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3afb h LEU 476 CO 0.03 0.71 -0.19 0.03 -0.34 0.00 0.00 178.44 178.69 3afb h ARG 477 N 1.18 0.00 0.00 1.25 3.08 -0.57 -1.32 114.38 118.00 3afb h ARG 477 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 3afb h ARG 477 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3afb h ARG 477 CO -0.09 0.19 0.00 0.93 -1.07 0.00 0.00 179.97 179.93 3afb h GLU 478 N 0.00 0.00 -0.48 0.04 5.08 -0.98 -1.18 114.58 117.06 3afb h GLU 478 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3afb h GLU 478 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3afb h GLU 478 CO 0.02 0.00 0.00 0.44 -1.00 0.00 0.00 179.01 178.47 3afb n ILE 479 N -2.77 1.63 -0.44 3.13 -5.35 -0.91 -4.94 119.36 109.70 3afb n ILE 479 Ca -0.00 -1.28 0.00 0.00 -0.27 0.00 0.00 62.75 61.20 3afb n ILE 479 Cb 0.19 0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.28 3afb n ILE 479 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3afb n GLY 480 N 0.61 0.73 3.80 3.28 0.00 -0.45 -5.06 105.19 108.10 3afb n GLY 480 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 3afb n GLY 480 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3afb s GLY 481 N -1.51 1.60 0.17 -0.02 0.00 -0.54 -4.79 107.32 102.23 3afb s GLY 481 Ca 0.00 -0.65 -0.23 0.00 0.00 0.00 0.00 44.72 43.83 3afb s GLY 481 CO 0.00 -0.05 0.72 1.85 0.00 0.00 0.00 173.10 175.62 3afb s GLU 482 N -5.39 1.35 0.14 2.90 2.56 -0.78 -4.04 118.70 115.44 3afb s GLU 482 Ca 0.65 -0.62 0.05 0.00 0.00 0.00 0.00 54.97 55.06 3afb s GLU 482 Cb -0.13 0.55 -0.04 0.00 2.00 0.00 0.00 34.13 36.51 3afb s GLU 482 CO 0.53 -0.61 -0.12 0.14 -0.56 0.00 0.00 175.26 174.64 3afb s VAL 483 N -3.66 1.28 -0.12 3.70 -7.23 -1.26 -2.92 120.40 110.20 3afb s VAL 483 Ca 0.06 -1.91 -0.01 0.00 -1.81 0.00 0.00 61.98 58.31 3afb s VAL 483 Cb -0.03 -1.70 -0.02 0.00 0.56 0.00 0.00 36.38 35.19 3afb s VAL 483 CO -0.05 -0.58 -0.08 -0.63 -0.31 0.00 0.00 175.10 173.45 3afb s ILE 484 N -2.74 3.51 -0.24 -0.62 1.01 -0.01 -4.51 121.20 117.59 3afb s ILE 484 Ca 0.13 -0.51 -0.13 0.00 0.00 0.00 0.00 60.65 60.14 3afb s ILE 484 Cb -0.01 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 3afb s ILE 484 CO 0.02 0.53 0.29 -0.63 0.00 0.00 0.00 174.94 175.15 3afb s ILE 485 N 0.02 5.26 -0.08 2.92 -1.09 -0.93 -0.46 121.20 126.84 3afb s ILE 485 Ca -0.02 0.43 -0.04 0.00 -2.23 0.00 0.00 60.65 58.79 3afb s ILE 485 Cb -0.14 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 3afb s ILE 485 CO 0.03 0.25 0.10 0.00 -1.23 0.00 0.00 174.94 174.10 3afb s ALA 486 N 1.52 3.70 0.02 9.38 0.00 -0.04 -0.83 121.76 135.51 3afb s ALA 486 Ca 0.13 -0.73 0.06 0.00 0.00 0.00 0.00 51.96 51.41 3afb s ALA 486 Cb -0.15 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 3afb s ALA 486 CO 0.08 0.64 -0.15 -0.06 0.00 0.00 0.00 175.76 176.27 3afb s PHE 487 N -1.06 2.65 0.00 0.00 0.40 0.81 -0.43 117.98 120.34 3afb s PHE 487 Ca 0.17 -0.20 0.00 0.00 -0.60 0.00 0.00 56.93 56.31 3afb s PHE 487 Cb -0.12 -1.52 0.00 0.00 0.51 0.00 0.00 43.02 41.89 3afb s PHE 487 CO 0.07 0.26 0.00 0.41 0.70 0.00 0.00 175.22 176.66 3afb n GLY 488 N 1.67 0.98 0.85 4.36 0.00 -0.71 -0.46 105.19 111.88 3afb n GLY 488 Ca -0.16 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.67 3afb n GLY 488 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3afb n GLY 489 N 0.00 -1.44 0.19 -0.02 0.00 0.56 -4.64 105.19 99.84 3afb n GLY 489 Ca 0.00 -1.88 0.07 0.00 0.00 0.00 0.00 46.02 44.21 3afb n GLY 489 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3afb h ALA 490 N 0.00 0.93 -4.01 4.61 0.00 -1.96 -3.38 119.26 115.45 3afb h ALA 490 Ca 0.00 -0.29 -0.59 0.00 0.00 0.00 0.00 54.91 54.03 3afb h ALA 490 Cb 0.00 -0.05 -0.25 0.00 0.00 0.00 0.00 17.79 17.49 3afb h ALA 490 CO 0.00 0.40 -0.84 0.14 0.00 0.00 0.00 179.25 178.95 3afb s VAL 491 N -3.46 1.73 0.00 0.00 -7.23 -1.26 -4.98 120.40 105.19 3afb s VAL 491 Ca 0.01 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 58.90 3afb s VAL 491 Cb 0.10 -1.51 0.00 0.00 0.56 0.00 0.00 36.38 35.52 3afb s VAL 491 CO 0.68 0.17 0.00 0.61 -0.31 0.00 0.00 175.10 176.25 3afb n GLY 492 N 1.69 1.11 3.73 2.32 0.00 -1.26 -4.77 105.19 108.01 3afb n GLY 492 Ca -0.18 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.44 3afb n GLY 492 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3afb s PRO 493 N -1.80 4.54 0.51 1.61 0.04 -1.26 -5.01 135.00 133.63 3afb s PRO 493 Ca 0.00 1.18 -0.20 0.00 0.04 0.00 0.00 61.00 62.02 3afb s PRO 493 Cb 0.00 -3.40 -0.07 0.00 0.04 0.00 0.00 34.50 31.07 3afb s PRO 493 CO 0.00 0.16 1.07 0.71 0.04 0.00 0.00 177.00 178.98 3afb s TYR 494 N 0.33 2.88 0.28 0.56 4.12 -1.26 -1.35 117.35 122.90 3afb s TYR 494 Ca 0.43 1.56 0.01 0.00 0.02 0.00 0.00 57.07 59.09 3afb s TYR 494 Cb -0.21 -3.14 0.55 0.00 -1.52 0.00 0.00 41.96 37.64 3afb s TYR 494 CO 0.24 -1.10 1.82 -0.07 0.02 0.00 0.00 175.55 176.46 3afb h LEU 495 N 1.40 0.85 -0.50 -1.29 3.38 -1.87 -1.21 115.31 116.07 3afb h LEU 495 Ca -0.50 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3afb h LEU 495 Cb 1.23 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3afb h LEU 495 CO 0.58 0.44 0.00 0.00 0.09 0.00 0.00 178.44 179.55 3afb h GLN 497 N 0.00 0.30 -0.10 0.00 4.20 -1.71 -3.40 115.11 114.40 3afb h GLN 497 Ca 0.00 -0.52 -0.22 0.00 0.06 0.00 0.00 58.65 57.97 3afb h GLN 497 Cb 0.48 0.19 0.01 0.00 0.30 0.00 0.00 27.48 28.46 3afb h GLN 497 CO 0.00 1.25 -0.83 0.37 -0.67 0.00 0.00 178.83 178.95 3afb h GLN 498 N -0.07 0.66 -6.69 1.46 5.75 -0.93 -3.46 115.11 111.84 3afb h GLN 498 Ca -0.35 -0.58 -0.53 0.00 -0.15 0.00 0.00 58.65 57.04 3afb h GLN 498 Cb 1.95 0.14 0.07 0.00 1.07 0.00 0.00 27.48 30.70 3afb h GLN 498 CO 0.11 1.20 0.97 0.00 -2.65 0.00 0.00 178.83 178.45 3afb n ALA 499 N -2.59 2.71 0.13 3.38 0.00 -0.50 -4.90 120.51 118.73 3afb n ALA 499 Ca -0.07 0.39 -0.01 0.00 0.00 0.00 0.00 53.44 53.75 3afb n ALA 499 Cb 0.77 -2.50 0.13 0.00 0.00 0.00 0.00 19.45 17.85 3afb n ALA 499 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3afb h SER 500 N 6.15 0.00 -4.66 0.00 4.64 -1.91 -3.47 113.55 114.30 3afb h SER 500 Ca -0.44 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.64 3afb h SER 500 Cb 1.21 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.13 3afb h SER 500 CO 0.91 0.65 -0.71 0.42 -0.87 0.00 0.00 176.83 177.23 3afb s THR 501 N -3.43 0.65 0.46 2.95 -4.23 -1.26 -5.04 115.64 105.74 3afb s THR 501 Ca -0.01 -1.65 0.15 0.00 -1.18 0.00 0.00 61.69 59.01 3afb s THR 501 Cb 0.12 -1.32 0.21 0.00 1.34 0.00 0.00 72.50 72.84 3afb s THR 501 CO 0.76 -0.71 2.03 -0.65 -0.54 0.00 0.00 174.62 175.52 3afb h PRO 502 N 3.48 0.00 -0.59 3.99 0.11 -1.90 -2.18 132.00 134.91 3afb h PRO 502 Ca -0.35 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.73 3afb h PRO 502 Cb 1.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 3afb h PRO 502 CO 0.57 0.14 0.26 0.93 -0.21 0.00 0.00 178.00 179.69 3afb h GLU 503 N 0.00 0.87 -0.46 1.05 3.07 -1.94 -0.08 114.58 117.09 3afb h GLU 503 Ca -0.00 -0.14 -0.03 0.00 -0.50 0.00 0.00 59.36 58.69 3afb h GLU 503 Cb 0.26 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 3afb h GLU 503 CO 0.02 0.73 0.17 0.37 -1.40 0.00 0.00 179.01 178.90 3afb h GLN 504 N 0.81 0.70 -0.26 2.33 5.75 -1.90 -1.36 115.11 121.18 3afb h GLN 504 Ca 0.20 -0.13 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 3afb h GLN 504 Cb 0.16 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 3afb h GLN 504 CO -0.02 0.64 0.15 1.25 -2.65 0.00 0.00 178.83 178.21 3afb h LEU 505 N 0.60 0.32 -0.71 -2.39 5.85 -1.22 -2.12 115.31 115.64 3afb h LEU 505 Ca 0.15 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3afb h LEU 505 Cb 0.22 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3afb h LEU 505 CO -0.01 0.29 0.37 0.00 -0.34 0.00 0.00 178.44 178.75 3afb h ALA 506 N 1.04 0.92 -0.61 1.25 0.00 -0.91 -1.18 119.26 119.77 3afb h ALA 506 Ca 0.09 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.97 3afb h ALA 506 Cb 0.03 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 17.47 3afb h ALA 506 CO -0.02 0.46 0.23 1.49 0.00 0.00 0.00 179.25 181.41 3afb h GLU 507 N 0.99 0.40 -0.29 0.00 4.81 -1.04 0.66 114.58 120.12 3afb h GLU 507 Ca 0.25 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 3afb h GLU 507 Cb 0.08 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3afb h GLU 507 CO -0.04 0.27 0.06 -1.49 -0.73 0.00 0.00 179.01 177.08 3afb h TRP 508 N 0.42 0.49 -0.69 0.92 6.55 -0.86 0.05 115.95 122.83 3afb h TRP 508 Ca 0.31 -0.06 0.01 0.00 0.95 0.00 0.00 58.89 60.09 3afb h TRP 508 Cb 0.37 -0.14 -0.03 0.00 -0.86 0.00 0.00 29.16 28.50 3afb h TRP 508 CO -0.16 0.55 0.46 1.88 -1.05 0.00 0.00 178.44 180.11 3afb h TYR 509 N 0.30 0.86 -0.36 0.49 0.99 -0.94 -2.37 116.97 115.93 3afb h TYR 509 Ca 0.09 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.75 3afb h TYR 509 Cb 0.31 -0.29 -0.02 0.00 1.00 0.00 0.00 36.73 37.73 3afb h TYR 509 CO 0.02 0.54 -0.16 0.82 -0.00 0.00 0.00 178.16 179.38 3afb h ILE 510 N 0.93 1.26 -0.73 -2.88 2.04 -0.73 -1.06 117.51 116.34 3afb h ILE 510 Ca 0.25 -1.18 0.04 0.00 1.00 0.00 0.00 64.86 64.97 3afb h ILE 510 Cb -0.10 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 3afb h ILE 510 CO -0.06 0.39 0.45 0.50 0.00 0.00 0.00 178.15 179.44 3afb h LYS 511 N 0.60 0.84 -0.24 2.37 3.64 -0.69 0.09 116.57 123.17 3afb h LYS 511 Ca 0.10 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3afb h LYS 511 Cb 0.61 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3afb h LYS 511 CO 0.04 0.55 0.09 0.28 -2.27 0.00 0.00 179.45 178.15 3afb h VAL 512 N 0.86 1.17 -0.30 2.00 2.07 -0.93 -1.37 116.25 119.76 3afb h VAL 512 Ca 0.30 -0.53 0.05 0.00 0.82 0.00 0.00 66.70 67.35 3afb h VAL 512 Cb 0.07 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 3afb h VAL 512 CO -0.13 0.18 -0.01 0.40 0.02 0.00 0.00 177.57 178.03 3afb h ILE 513 N 0.24 0.77 -0.14 4.57 2.04 -0.91 -2.54 117.51 121.54 3afb h ILE 513 Ca 0.08 -0.03 -0.13 0.00 1.00 0.00 0.00 64.86 65.79 3afb h ILE 513 Cb 0.19 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3afb h ILE 513 CO -0.01 0.01 -0.47 0.44 0.00 0.00 0.00 178.15 178.13 3afb h ASP 514 N 0.08 0.38 -0.68 1.72 3.32 -0.90 0.97 116.42 121.31 3afb h ASP 514 Ca 0.14 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 3afb h ASP 514 Cb 0.20 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3afb h ASP 514 CO -0.25 0.80 0.19 0.74 -1.72 0.00 0.00 179.24 179.00 3afb h THR 515 N 0.29 1.26 -0.04 0.35 2.02 -0.99 -3.23 112.91 112.56 3afb h THR 515 Ca 0.02 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.28 3afb h THR 515 Cb 0.94 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 3afb h THR 515 CO 0.08 0.35 0.00 -1.22 0.37 0.00 0.00 175.52 175.10 3afb n TYR 516 N -4.25 0.02 -4.03 3.16 4.02 -0.98 -4.96 117.16 110.15 3afb n TYR 516 Ca 0.05 -0.01 -0.31 0.00 -0.01 0.00 0.00 57.90 57.62 3afb n TYR 516 Cb 0.24 -0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.56 3afb n TYR 516 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3afb n ASN 517 N 1.02 -2.98 -4.77 7.72 3.02 0.20 -4.90 115.26 114.57 3afb n ASN 517 Ca 0.11 -0.92 -0.38 0.00 -0.03 0.00 0.00 54.58 53.36 3afb n ASN 517 Cb 0.45 -3.29 -0.01 0.00 -0.61 0.00 0.00 39.78 36.33 3afb n ASN 517 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3afb s ALA 518 N -3.47 3.05 -0.24 5.41 0.00 -0.39 -4.86 121.76 121.27 3afb s ALA 518 Ca 0.50 1.04 0.02 0.00 0.00 0.00 0.00 51.96 53.52 3afb s ALA 518 Cb -0.26 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.45 3afb s ALA 518 CO 0.88 -0.73 0.53 0.25 0.00 0.00 0.00 175.76 176.69 3afb n THR 519 N -0.31 0.00 -3.66 0.00 -2.24 -1.26 -4.83 114.28 101.98 3afb n THR 519 Ca 0.06 -0.50 -0.07 0.00 -2.27 0.00 0.00 64.05 61.27 3afb n THR 519 Cb 0.47 1.04 -0.08 0.00 -2.10 0.00 0.00 70.33 69.65 3afb n THR 519 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3afb s TYR 520 N -0.23 -0.91 0.12 4.78 6.04 -1.26 -1.17 117.35 124.72 3afb s TYR 520 Ca 0.02 1.78 0.10 0.00 0.04 0.00 0.00 57.07 59.01 3afb s TYR 520 Cb 0.02 0.48 -0.04 0.00 -1.04 0.00 0.00 41.96 41.38 3afb s TYR 520 CO 0.03 -0.48 -0.21 -0.51 -1.54 0.00 0.00 175.55 172.83 3afb s LEU 521 N 1.96 2.56 -0.10 6.97 1.43 -0.10 -2.20 118.68 129.20 3afb s LEU 521 Ca -0.08 -0.63 0.01 0.00 -1.03 0.00 0.00 54.13 52.41 3afb s LEU 521 Cb -0.09 -1.42 0.02 0.00 0.03 0.00 0.00 46.19 44.73 3afb s LEU 521 CO -0.16 0.18 -0.12 -0.62 0.23 0.00 0.00 176.35 175.85 3afb s ASP 522 N -2.11 2.17 -0.44 2.29 2.15 -0.01 -0.17 116.67 120.55 3afb s ASP 522 Ca 0.16 -0.36 -0.10 0.00 0.43 0.00 0.00 52.55 52.68 3afb s ASP 522 Cb -0.10 -0.95 0.09 0.00 -0.30 0.00 0.00 42.92 41.66 3afb s ASP 522 CO 0.09 -0.02 0.31 -0.36 -0.17 0.00 0.00 175.17 175.02 3afb s PHE 523 N 1.08 3.34 -0.91 -5.34 0.40 0.50 -0.14 117.98 116.92 3afb s PHE 523 Ca -0.06 -1.53 -0.16 0.00 -0.60 0.00 0.00 56.93 54.59 3afb s PHE 523 Cb -0.14 -3.16 0.18 0.00 0.51 0.00 0.00 43.02 40.40 3afb s PHE 523 CO -0.02 -0.89 0.99 0.00 0.70 0.00 0.00 175.22 176.00 3afb s ALA 524 N 1.45 3.77 -0.48 5.36 0.00 0.39 -0.68 121.76 131.56 3afb s ALA 524 Ca 0.04 -3.09 -0.15 0.00 0.00 0.00 0.00 51.96 48.76 3afb s ALA 524 Cb -0.24 -3.80 0.08 0.00 0.00 0.00 0.00 23.12 19.15 3afb s ALA 524 CO 0.02 -2.63 0.40 0.42 0.00 0.00 0.00 175.76 173.97 3afb s ILE 525 N 1.36 5.19 -0.85 0.00 -1.09 -0.57 -0.33 121.20 124.91 3afb s ILE 525 Ca 0.27 -1.13 0.07 0.00 -2.23 0.00 0.00 60.65 57.63 3afb s ILE 525 Cb -0.07 -4.13 0.09 0.00 -1.58 0.00 0.00 42.46 36.77 3afb s ILE 525 CO -0.09 -0.61 0.83 -0.62 -1.23 0.00 0.00 174.94 173.22 3afb n GLU 526 N 5.20 0.64 -4.34 2.79 1.02 -1.26 -4.38 120.64 120.31 3afb n GLU 526 Ca -0.13 -1.14 -0.18 0.00 -0.02 0.00 0.00 57.16 55.70 3afb n GLU 526 Cb 0.43 -1.15 -0.10 0.00 -0.02 0.00 0.00 31.44 30.60 3afb n GLU 526 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3afb s ALA 527 N -0.69 1.87 0.23 0.62 0.00 -1.26 -5.02 121.76 117.51 3afb s ALA 527 Ca 0.10 -1.76 -0.31 0.00 0.00 0.00 0.00 51.96 49.99 3afb s ALA 527 Cb 0.07 0.40 -0.10 0.00 0.00 0.00 0.00 23.12 23.48 3afb s ALA 527 CO 0.09 -0.20 1.52 0.20 0.00 0.00 0.00 175.76 177.37 3afb s GLY 528 N -3.32 2.02 0.26 0.00 0.00 -1.26 -5.02 107.32 100.01 3afb s GLY 528 Ca 0.27 1.40 0.01 0.00 0.00 0.00 0.00 44.72 46.41 3afb s GLY 528 CO 0.08 2.46 0.10 -0.26 0.00 0.00 0.00 173.10 175.48 3afb s ILE 529 N 0.37 0.57 -0.72 0.90 -4.36 -1.26 -5.02 121.20 111.68 3afb s ILE 529 Ca 0.64 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.81 3afb s ILE 529 Cb -0.44 -2.63 0.09 0.00 1.25 0.00 0.00 42.46 40.72 3afb s ILE 529 CO 0.40 0.00 0.98 -0.62 0.24 0.00 0.00 174.94 175.95 3afb s ASP 530 N -3.32 6.28 0.29 4.36 -1.08 -1.26 -4.91 116.67 117.02 3afb s ASP 530 Ca 0.38 -1.29 0.02 0.00 -0.52 0.00 0.00 52.55 51.14 3afb s ASP 530 Cb 0.08 -2.40 0.43 0.00 -1.46 0.00 0.00 42.92 39.56 3afb s ASP 530 CO 0.14 -1.32 1.75 0.00 0.52 0.00 0.00 175.17 176.26 3afb h ALA 531 N 9.36 1.14 -0.61 3.66 0.00 -1.98 -2.16 119.26 128.68 3afb h ALA 531 Ca -0.18 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 3afb h ALA 531 Cb 1.06 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3afb h ALA 531 CO 1.16 0.54 0.30 0.22 0.00 0.00 0.00 179.25 181.47 3afb h ASP 532 N 0.49 0.81 -0.43 0.00 1.82 -1.96 0.25 116.42 117.39 3afb h ASP 532 Ca 0.08 -0.13 -0.04 0.00 -0.39 0.00 0.00 57.03 56.55 3afb h ASP 532 Cb 0.58 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.37 3afb h ASP 532 CO 0.04 0.71 0.13 0.50 -1.61 0.00 0.00 179.24 179.00 3afb h LYS 533 N 0.84 0.68 -0.40 0.28 3.64 -1.92 -1.28 116.57 118.42 3afb h LYS 533 Ca 0.21 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3afb h LYS 533 Cb 0.12 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 3afb h LYS 533 CO -0.03 0.67 0.20 1.25 -2.27 0.00 0.00 179.45 179.28 3afb h LEU 534 N 0.56 0.30 -0.37 5.20 5.85 -1.11 -1.79 115.31 123.95 3afb h LEU 534 Ca 0.14 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.90 3afb h LEU 534 Cb 0.28 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3afb h LEU 534 CO -0.00 0.22 0.20 0.00 -0.34 0.00 0.00 178.44 178.52 3afb h ALA 535 N 1.21 0.46 -0.71 1.25 0.00 -0.75 0.21 119.26 120.94 3afb h ALA 535 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3afb h ALA 535 Cb 0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3afb h ALA 535 CO -0.11 -0.15 0.42 -0.44 0.00 0.00 0.00 179.25 178.96 3afb h ASP 536 N 0.41 0.85 -0.39 0.00 3.32 -1.00 0.05 116.42 119.67 3afb h ASP 536 Ca 0.15 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 3afb h ASP 536 Cb 0.04 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3afb h ASP 536 CO -0.09 0.66 -0.11 0.00 -1.72 0.00 0.00 179.24 177.98 3afb h ALA 537 N 1.49 0.53 0.00 3.45 0.00 -0.80 -3.08 119.26 120.85 3afb h ALA 537 Ca 0.25 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3afb h ALA 537 Cb -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3afb h ALA 537 CO -0.05 0.41 -0.32 -0.07 0.00 0.00 0.00 179.25 179.22 3afb h LEU 538 N 0.56 0.00 -1.11 0.00 3.38 -0.13 -1.34 115.31 116.67 3afb h LEU 538 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3afb h LEU 538 Cb 0.63 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 3afb h LEU 538 CO 0.04 0.32 0.56 -0.07 0.09 0.00 0.00 178.44 179.38 3afb h LEU 539 N 0.00 1.01 -0.13 1.67 3.38 -0.96 -0.45 115.31 119.83 3afb h LEU 539 Ca -0.00 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3afb h LEU 539 Cb 0.84 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 3afb h LEU 539 CO 0.04 0.75 -0.10 0.40 0.09 0.00 0.00 178.44 179.62 3afb h ILE 540 N 1.18 1.34 -0.41 1.22 2.04 -1.25 -2.80 117.51 118.82 3afb h ILE 540 Ca 0.32 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.96 3afb h ILE 540 Cb -0.11 1.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 3afb h ILE 540 CO -0.07 0.35 0.26 0.58 0.00 0.00 0.00 178.15 179.27 3afb h VAL 541 N -0.08 1.12 0.00 1.67 2.07 -1.05 -1.26 116.25 118.72 3afb h VAL 541 Ca 0.02 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 3afb h VAL 541 Cb 0.60 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3afb h VAL 541 CO 0.03 0.12 -0.30 0.06 0.02 0.00 0.00 177.57 177.50 3afb h GLN 542 N 0.55 0.00 -0.19 1.57 3.07 -1.15 0.10 115.11 119.07 3afb h GLN 542 Ca 0.15 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.80 3afb h GLN 542 Cb -0.03 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.53 3afb h GLN 542 CO -0.03 0.30 -0.23 -0.09 0.09 0.00 0.00 178.83 178.87 3afb h ARG 543 N 0.00 0.49 0.01 0.06 2.43 -1.14 -2.90 114.38 113.33 3afb h ARG 543 Ca -0.00 -0.27 -0.20 0.00 -0.81 0.00 0.00 59.98 58.69 3afb h ARG 543 Cb 0.77 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.32 3afb h ARG 543 CO 0.04 0.86 -0.93 0.93 -1.51 0.00 0.00 179.97 179.36 3afb h GLU 544 N 0.14 0.08 -2.05 0.20 4.39 -0.94 -3.38 114.58 113.02 3afb h GLU 544 Ca 0.02 -0.11 -0.57 0.00 0.34 0.00 0.00 59.36 59.04 3afb h GLU 544 Cb 0.80 0.04 -0.40 0.00 -0.10 0.00 0.00 28.75 29.08 3afb h GLU 544 CO 0.06 0.95 -0.96 0.54 -1.16 0.00 0.00 179.01 178.43 3afb n ARG 545 N -3.53 1.24 0.00 2.33 5.12 0.33 -4.99 116.66 117.17 3afb n ARG 545 Ca -0.02 -3.64 0.07 0.00 -1.93 0.00 0.00 57.85 52.33 3afb n ARG 545 Cb 0.86 -1.52 0.40 0.00 -1.16 0.00 0.00 32.46 31.04 3afb n ARG 545 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3afb n PRO 546 N 1.23 0.28 0.00 5.56 -0.04 -1.09 -2.30 135.00 138.65 3afb n PRO 546 Ca 0.24 0.11 0.12 0.00 -0.04 0.00 0.00 63.50 63.93 3afb n PRO 546 Cb 0.50 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.71 3afb n PRO 546 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3afb n TRP 547 N -1.21 0.00 -3.28 0.54 2.14 -1.26 -4.92 117.44 109.45 3afb n TRP 547 Ca 0.08 0.00 -0.39 0.00 2.07 0.00 0.00 57.50 59.26 3afb n TRP 547 Cb 0.10 -0.04 -0.07 0.00 -0.81 0.00 0.00 31.31 30.50 3afb n TRP 547 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 3afb s VAL 548 N -2.29 5.13 0.33 -1.67 1.01 -0.97 -4.85 120.40 117.09 3afb s VAL 548 Ca 0.26 0.90 -0.14 0.00 0.00 0.00 0.00 61.98 63.01 3afb s VAL 548 Cb 0.19 -3.82 -0.08 0.00 0.00 0.00 0.00 36.38 32.67 3afb s VAL 548 CO 0.45 0.20 0.73 -0.54 0.00 0.00 0.00 175.10 175.95 3afb s LYS 549 N 1.49 3.95 -0.13 2.72 1.02 -0.32 -4.93 119.74 123.55 3afb s LYS 549 Ca 0.23 0.61 0.01 0.00 0.02 0.00 0.00 55.97 56.84 3afb s LYS 549 Cb -0.15 -2.43 -0.01 0.00 -0.52 0.00 0.00 37.83 34.71 3afb s LYS 549 CO 0.09 0.13 -0.15 -0.06 -0.92 0.00 0.00 175.35 174.44 3afb s PHE 550 N -2.05 2.77 0.06 3.18 2.99 -1.26 -0.92 117.98 122.74 3afb s PHE 550 Ca 0.53 -0.79 0.08 0.00 0.00 0.00 0.00 56.93 56.75 3afb s PHE 550 Cb -0.10 -1.84 -0.03 0.00 0.00 0.00 0.00 43.02 41.05 3afb s PHE 550 CO 0.20 -0.30 -0.20 0.45 -0.00 0.00 0.00 175.22 175.37 3afb s SER 551 N 0.46 3.69 -0.14 1.36 0.15 0.76 -1.37 113.70 118.62 3afb s SER 551 Ca -0.11 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.06 3afb s SER 551 Cb -0.16 -0.53 0.02 0.00 -1.71 0.00 0.00 66.02 63.64 3afb s SER 551 CO 0.05 0.24 -0.13 -0.36 1.20 0.00 0.00 173.24 174.24 3afb s PHE 552 N -0.95 2.00 -0.19 3.44 0.40 -0.20 -0.37 117.98 122.12 3afb s PHE 552 Ca 0.15 -1.09 -0.02 0.00 -0.60 0.00 0.00 56.93 55.37 3afb s PHE 552 Cb -0.10 -1.50 -0.01 0.00 0.51 0.00 0.00 43.02 41.92 3afb s PHE 552 CO 0.05 -0.62 -0.09 0.99 0.70 0.00 0.00 175.22 176.26 3afb s THR 553 N 1.49 3.11 -0.03 0.64 2.01 0.14 -0.45 115.64 122.55 3afb s THR 553 Ca 0.04 -0.60 -0.05 0.00 0.31 0.00 0.00 61.69 61.39 3afb s THR 553 Cb -0.13 -2.37 0.01 0.00 0.01 0.00 0.00 72.50 70.01 3afb s THR 553 CO -0.09 0.47 0.13 -0.76 -0.69 0.00 0.00 174.62 173.68 3afb s LEU 554 N 1.11 1.54 0.60 4.42 1.43 -1.09 -1.50 118.68 125.18 3afb s LEU 554 Ca 0.01 0.09 -0.19 0.00 -1.03 0.00 0.00 54.13 53.01 3afb s LEU 554 Cb -0.15 0.52 -0.04 0.00 0.03 0.00 0.00 46.19 46.55 3afb s LEU 554 CO -0.02 -0.16 1.04 -2.65 0.23 0.00 0.00 176.35 174.79 3afb n PRO 555 N 2.46 0.98 -4.14 1.29 -0.02 -1.26 -0.62 135.00 133.69 3afb n PRO 555 Ca -0.16 0.38 -0.11 0.00 -2.02 0.00 0.00 63.50 61.59 3afb n PRO 555 Cb 0.58 -2.25 -0.08 0.00 -0.02 0.00 0.00 33.50 31.73 3afb n PRO 555 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3afb s SER 556 N -1.24 0.12 -0.22 2.55 1.04 -1.21 -2.95 113.70 111.79 3afb s SER 556 Ca 0.76 -1.26 -0.18 0.00 0.48 0.00 0.00 55.95 55.76 3afb s SER 556 Cb -0.41 0.45 0.06 0.00 0.10 0.00 0.00 66.02 66.22 3afb s SER 556 CO 0.46 -0.95 0.57 -0.62 0.98 0.00 0.00 173.24 173.68 3afb s ASP 557 N -3.12 -0.64 0.00 7.02 -1.08 -0.45 -4.75 116.67 113.65 3afb s ASP 557 Ca 0.34 1.17 0.11 0.00 -0.52 0.00 0.00 52.55 53.65 3afb s ASP 557 Cb 0.04 1.15 0.49 0.00 -1.46 0.00 0.00 42.92 43.14 3afb s ASP 557 CO 0.12 -0.20 1.32 -0.81 0.52 0.00 0.00 175.17 176.11 3afb n PRO 558 N 3.22 0.05 0.04 4.34 -0.04 -1.26 -0.63 135.00 140.73 3afb n PRO 558 Ca -0.16 0.27 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 3afb n PRO 558 Cb 0.56 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.66 3afb n PRO 558 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3afb n GLY 559 N -0.38 -1.34 0.00 0.55 0.00 -1.26 -4.56 105.19 98.20 3afb n GLY 559 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3afb n GLY 559 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3afb n ILE 560 N -2.01 0.00 -1.46 -0.61 -5.35 -0.65 -5.13 119.36 104.16 3afb n ILE 560 Ca 0.03 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 3afb n ILE 560 Cb 0.43 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.33 3afb n ILE 560 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3afb n GLY 561 N 0.96 0.52 3.77 3.28 0.00 0.20 -4.80 105.19 109.12 3afb n GLY 561 Ca 0.00 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 3afb n GLY 561 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3afb s LEU 562 N 0.00 4.31 0.00 0.99 1.43 -1.26 -1.34 118.68 122.81 3afb s LEU 562 Ca 0.00 2.75 0.00 0.00 -1.03 0.00 0.00 54.13 55.85 3afb s LEU 562 Cb 0.00 -3.77 0.00 0.00 0.03 0.00 0.00 46.19 42.45 3afb s LEU 562 CO 0.00 -0.75 0.00 0.00 0.23 0.00 0.00 176.35 175.83 3afb n ALA 563 N 0.43 0.00 0.29 4.21 0.00 -1.15 -4.61 120.51 119.67 3afb n ALA 563 Ca 0.02 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.63 3afb n ALA 563 Cb 0.42 0.00 0.85 0.00 0.00 0.00 0.00 19.45 20.72 3afb n ALA 563 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3afb h GLY 564 N 0.00 0.00 2.00 0.00 0.00 -1.96 -1.88 103.07 101.23 3afb h GLY 564 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3afb h GLY 564 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.21 3afb h GLY 565 N 1.11 0.00 0.96 4.60 0.00 -1.88 -3.01 103.07 104.85 3afb h GLY 565 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 3afb h GLY 565 CO 0.01 0.00 0.53 -1.82 0.00 0.00 0.00 176.54 175.26 3afb h TYR 566 N 0.00 0.90 0.00 5.60 3.20 -1.59 -0.69 116.97 124.39 3afb h TYR 566 Ca 0.00 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 3afb h TYR 566 Cb 0.33 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 3afb h TYR 566 CO 0.00 0.48 -0.17 0.78 -1.64 0.00 0.00 178.16 177.61 3afb h GLY 567 N 0.89 0.00 0.86 1.82 0.00 -1.76 -1.04 103.07 103.85 3afb h GLY 567 Ca 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.65 3afb h GLY 567 CO -0.12 0.00 0.03 -2.22 0.00 0.00 0.00 176.54 174.23 3afb h ILE 568 N 0.00 1.23 -0.45 2.60 2.04 -1.31 -0.96 117.51 120.66 3afb h ILE 568 Ca -0.00 -0.78 -0.08 0.00 1.00 0.00 0.00 64.86 65.00 3afb h ILE 568 Cb 0.36 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3afb h ILE 568 CO 0.02 0.25 -0.04 0.40 0.00 0.00 0.00 178.15 178.78 3afb h ILE 569 N 0.20 1.27 -0.71 -0.67 1.08 -1.28 -0.67 117.51 116.74 3afb h ILE 569 Ca 0.07 -1.12 0.10 0.00 -0.39 0.00 0.00 64.86 63.53 3afb h ILE 569 Cb 0.34 1.08 -0.08 0.00 -3.07 0.00 0.00 36.82 35.08 3afb h ILE 569 CO 0.01 0.38 0.33 -0.33 -0.69 0.00 0.00 178.15 177.85 3afb h GLU 570 N 0.67 0.53 -0.20 2.37 5.08 -1.14 -1.36 114.58 120.53 3afb h GLU 570 Ca 0.12 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3afb h GLU 570 Cb 0.56 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3afb h GLU 570 CO 0.03 0.35 0.03 1.15 -1.00 0.00 0.00 179.01 179.57 3afb h THR 571 N 0.55 1.23 -0.47 1.13 2.02 -0.81 -1.30 112.91 115.26 3afb h THR 571 Ca 0.36 -0.76 0.08 0.00 0.77 0.00 0.00 66.41 66.85 3afb h THR 571 Cb 0.42 1.35 -0.07 0.00 -1.74 0.00 0.00 68.15 68.11 3afb h THR 571 CO -0.30 0.24 0.09 0.24 0.37 0.00 0.00 175.52 176.16 3afb h MET 572 N 0.13 0.22 -0.25 6.66 2.86 -0.80 -1.19 114.93 122.55 3afb h MET 572 Ca 0.06 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 3afb h MET 572 Cb 0.33 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3afb h MET 572 CO 0.01 0.14 0.07 0.00 1.06 0.00 0.00 176.91 178.18 3afb h ALA 573 N 1.36 0.33 -0.86 6.32 0.00 -1.13 0.96 119.26 126.24 3afb h ALA 573 Ca 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3afb h ALA 573 Cb 0.30 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3afb h ALA 573 CO -0.31 -0.03 0.54 -0.22 0.00 0.00 0.00 179.25 179.24 3afb h LYS 574 N 0.23 1.15 -0.00 0.00 1.63 -1.03 -2.71 116.57 115.84 3afb h LYS 574 Ca 0.08 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3afb h LYS 574 Cb 0.27 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 3afb h LYS 574 CO -0.00 0.78 -0.33 1.63 -3.45 0.00 0.00 179.45 178.09 3afb n LYS 575 N -4.38 0.21 -1.09 1.90 5.02 -0.47 -4.94 118.16 114.41 3afb n LYS 575 Ca 0.10 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3afb n LYS 575 Cb 0.04 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 3afb n LYS 575 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3afb n GLY 576 N 1.45 0.67 3.74 0.72 0.00 -0.55 -5.04 105.19 106.18 3afb n GLY 576 Ca 0.08 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 3afb n GLY 576 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3afb s VAL 577 N -2.00 4.59 0.36 1.61 1.01 0.22 -5.01 120.40 121.19 3afb s VAL 577 Ca 0.00 1.85 -0.28 0.00 0.00 0.00 0.00 61.98 63.55 3afb s VAL 577 Cb 0.00 -4.22 -0.11 0.00 0.00 0.00 0.00 36.38 32.05 3afb s VAL 577 CO 0.00 0.35 1.50 0.00 0.00 0.00 0.00 175.10 176.95 3afb s ARG 578 N -0.10 4.12 -0.37 2.72 1.70 -1.26 -4.42 118.95 121.34 3afb s ARG 578 Ca 0.42 2.56 0.02 0.00 -0.47 0.00 0.00 55.73 58.26 3afb s ARG 578 Cb -0.22 -2.98 0.11 0.00 -0.57 0.00 0.00 34.95 31.29 3afb s ARG 578 CO 0.27 -0.54 0.14 0.08 -1.08 0.00 0.00 175.30 174.17 3afb s VAL 579 N -0.92 1.52 -0.03 4.99 1.01 -1.26 -4.71 120.40 121.00 3afb s VAL 579 Ca 0.54 -2.13 0.12 0.00 0.00 0.00 0.00 61.98 60.51 3afb s VAL 579 Cb -0.46 -2.11 -0.12 0.00 0.00 0.00 0.00 36.38 33.69 3afb s VAL 579 CO 0.60 -0.73 1.14 0.44 0.00 0.00 0.00 175.10 176.55 3afb h ASP 580 N 7.44 0.00 -3.49 3.32 3.32 -1.60 -3.47 116.42 121.95 3afb h ASP 580 Ca -0.07 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 3afb h ASP 580 Cb 0.98 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.29 3afb h ASP 580 CO 0.51 0.78 -0.18 -0.60 -1.72 0.00 0.00 179.24 178.03 3afb s ARG 581 N -2.80 0.52 -0.19 3.56 3.52 -1.04 -4.59 118.95 117.93 3afb s ARG 581 Ca 0.00 0.81 0.01 0.00 -0.13 0.00 0.00 55.73 56.43 3afb s ARG 581 Cb 0.09 0.13 0.04 0.00 -1.56 0.00 0.00 34.95 33.65 3afb s ARG 581 CO 0.80 -0.12 -0.13 0.08 -0.81 0.00 0.00 175.30 175.12 3afb s VAL 582 N 0.95 1.72 -0.64 7.11 1.01 0.28 -1.03 120.40 129.80 3afb s VAL 582 Ca -0.06 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.02 3afb s VAL 582 Cb -0.06 -1.72 0.17 0.00 0.00 0.00 0.00 36.38 34.77 3afb s VAL 582 CO -0.08 0.27 0.47 -3.20 0.00 0.00 0.00 175.10 172.56 3afb n ASN 583 N 4.68 2.23 -4.72 3.32 5.15 0.41 -0.98 115.26 125.35 3afb n ASN 583 Ca -0.16 -3.03 -0.42 0.00 -0.60 0.00 0.00 54.58 50.37 3afb n ASN 583 Cb 0.47 -0.71 -0.01 0.00 -0.53 0.00 0.00 39.78 39.01 3afb n ASN 583 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3afb n PRO 584 N 2.11 2.30 -2.73 1.20 -0.04 -1.20 -2.68 135.00 133.95 3afb n PRO 584 Ca 0.23 0.81 -0.42 0.00 -0.04 0.00 0.00 63.50 64.07 3afb n PRO 584 Cb 0.38 -2.44 -0.04 0.00 -0.04 0.00 0.00 33.50 31.37 3afb n PRO 584 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3afb s MET 585 N -1.87 3.27 -1.24 0.54 -1.94 0.20 -1.69 119.30 116.58 3afb s MET 585 Ca 0.55 -0.32 -0.10 0.00 -1.71 0.00 0.00 55.69 54.12 3afb s MET 585 Cb -0.54 -4.12 0.19 0.00 2.01 0.00 0.00 34.83 32.36 3afb s MET 585 CO 0.62 -1.75 1.71 0.25 -0.01 0.00 0.00 175.02 175.83 3afb n THR 586 N 6.25 4.43 -3.47 2.05 -2.24 -0.13 -3.33 114.28 117.83 3afb n THR 586 Ca 0.02 -4.66 -0.14 0.00 -2.27 0.00 0.00 64.05 57.00 3afb n THR 586 Cb 0.48 -2.36 -0.04 0.00 -2.10 0.00 0.00 70.33 66.30 3afb n THR 586 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3afb s MET 587 N 0.32 1.13 -1.16 -0.78 0.23 -1.26 -4.30 119.30 113.48 3afb s MET 587 Ca 0.39 -0.16 -0.02 0.00 -1.03 0.00 0.00 55.69 54.87 3afb s MET 587 Cb 0.06 0.52 -0.02 0.00 -1.53 0.00 0.00 34.83 33.86 3afb s MET 587 CO 0.01 -0.44 0.96 -0.25 -2.03 0.00 0.00 175.02 173.27 3afb n ASP 588 N 0.16 -3.47 0.13 -1.18 8.00 -1.26 -4.80 116.55 114.13 3afb n ASP 588 Ca -0.17 -0.66 0.08 0.00 0.71 0.00 0.00 54.79 54.75 3afb n ASP 588 Cb 0.61 -5.08 0.03 0.00 -0.02 0.00 0.00 41.12 36.67 3afb n ASP 588 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 3afb h TYR 589 N -1.65 0.00 0.00 1.24 0.99 -1.88 -3.48 116.97 112.19 3afb h TYR 589 Ca -0.60 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.13 3afb h TYR 589 Cb 1.33 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.06 3afb h TYR 589 CO 0.40 0.19 0.00 0.66 -0.00 0.00 0.00 178.16 179.41 3afb n TYR 590 N -2.92 0.00 0.82 4.88 4.02 -1.26 -4.45 117.16 118.25 3afb n TYR 590 Ca -0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.01 3afb n TYR 590 Cb 0.63 0.00 0.32 0.00 -0.02 0.00 0.00 39.34 40.27 3afb n TYR 590 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 176.86 173.18 3afb n TRP 591 N 0.00 0.29 -3.69 -0.72 4.27 -1.26 -4.88 117.44 111.44 3afb n TRP 591 Ca 0.00 0.08 -0.15 0.00 -3.89 0.00 0.00 57.50 53.55 3afb n TRP 591 Cb 0.00 -0.52 -0.08 0.00 -1.36 0.00 0.00 31.31 29.35 3afb n TRP 591 CO 0.00 0.00 0.00 -0.08 -2.29 0.00 0.00 177.69 175.32 3afb s THR 592 N -3.06 0.04 0.59 -1.67 -1.32 -1.26 -5.16 115.64 103.78 3afb s THR 592 Ca 0.10 -0.31 -0.17 0.00 -1.21 0.00 0.00 61.69 60.10 3afb s THR 592 Cb 0.16 -0.72 -0.04 0.00 -1.51 0.00 0.00 72.50 70.39 3afb s THR 592 CO 0.66 -0.17 1.09 -2.16 -2.21 0.00 0.00 174.62 171.83 3afb s PRO 593 N -1.15 3.23 -1.16 7.08 0.04 -1.26 -4.38 135.00 137.39 3afb s PRO 593 Ca -0.12 1.40 -0.21 0.00 0.04 0.00 0.00 61.00 62.12 3afb s PRO 593 Cb -0.04 -2.01 0.06 0.00 0.04 0.00 0.00 34.50 32.55 3afb s PRO 593 CO 0.05 -0.91 1.60 -1.12 0.04 0.00 0.00 177.00 176.66 3afb s SER 594 N -2.32 6.64 0.32 6.66 0.01 -1.26 -4.73 113.70 119.01 3afb s SER 594 Ca 0.68 -1.93 0.02 0.00 1.31 0.00 0.00 55.95 56.02 3afb s SER 594 Cb -0.20 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.45 3afb s SER 594 CO 0.33 -1.37 0.07 -0.46 0.41 0.00 0.00 173.24 172.21 3afb n ASN 595 N 8.76 1.84 -0.15 2.44 0.23 -1.26 -2.93 115.26 124.19 3afb n ASN 595 Ca 0.41 -2.56 -0.11 0.00 -0.53 0.00 0.00 54.58 51.79 3afb n ASN 595 Cb 0.48 0.55 -0.01 0.00 -2.08 0.00 0.00 39.78 38.73 3afb n ASN 595 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3afb h ALA 596 N 1.37 0.60 -0.50 -2.53 0.00 -1.92 -1.96 119.26 114.33 3afb h ALA 596 Ca -0.25 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.35 3afb h ALA 596 Cb 0.88 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3afb h ALA 596 CO 0.41 0.52 0.25 1.49 0.00 0.00 0.00 179.25 181.92 3afb h GLU 597 N 0.69 0.48 -0.15 0.00 4.81 -1.95 -0.18 114.58 118.29 3afb h GLU 597 Ca 0.11 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.15 3afb h GLU 597 Cb 0.68 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 3afb h GLU 597 CO 0.05 0.32 -0.59 -0.91 -0.73 0.00 0.00 179.01 177.15 3afb h ASN 598 N 0.50 0.54 -1.00 1.04 2.35 -1.84 -1.15 115.58 116.02 3afb h ASN 598 Ca 0.22 -0.30 0.02 0.00 -0.55 0.00 0.00 56.30 55.69 3afb h ASN 598 Cb 0.12 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.28 3afb h ASN 598 CO -0.15 1.00 0.66 0.00 -1.65 0.00 0.00 177.43 177.29 3afb h ALA 599 N 1.00 1.30 -0.47 -0.83 0.00 -0.97 -0.73 119.26 118.57 3afb h ALA 599 Ca -0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3afb h ALA 599 Cb 1.13 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3afb h ALA 599 CO 0.11 0.61 -0.11 0.82 0.00 0.00 0.00 179.25 180.68 3afb h ILE 600 N 1.32 1.27 -0.71 0.00 2.04 -0.76 -0.76 117.51 119.90 3afb h ILE 600 Ca 0.38 -1.23 0.01 0.00 1.00 0.00 0.00 64.86 65.02 3afb h ILE 600 Cb -0.08 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 3afb h ILE 600 CO -0.10 0.43 0.47 0.11 0.00 0.00 0.00 178.15 179.06 3afb h LYS 601 N 0.75 0.94 -0.19 2.37 1.57 -0.94 -0.44 116.57 120.63 3afb h LYS 601 Ca 0.12 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 3afb h LYS 601 Cb 0.66 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 3afb h LYS 601 CO 0.05 0.62 0.02 0.28 -0.57 0.00 0.00 179.45 179.85 3afb h VAL 602 N 0.97 0.89 -0.64 0.50 2.07 -0.89 -1.27 116.25 117.89 3afb h VAL 602 Ca 0.26 -0.03 0.08 0.00 0.82 0.00 0.00 66.70 67.83 3afb h VAL 602 Cb -0.11 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 3afb h VAL 602 CO -0.06 0.02 0.30 0.00 0.02 0.00 0.00 177.57 177.85 3afb h ALA 603 N 1.15 0.85 -0.73 1.67 0.00 -0.66 0.91 119.26 122.44 3afb h ALA 603 Ca 0.09 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3afb h ALA 603 Cb 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3afb h ALA 603 CO -0.13 -0.09 0.27 0.93 0.00 0.00 0.00 179.25 180.23 3afb h GLU 604 N 0.53 1.11 -0.23 0.00 5.08 -0.79 -0.04 114.58 120.24 3afb h GLU 604 Ca 0.31 -0.21 -0.18 0.00 -1.00 0.00 0.00 59.36 58.28 3afb h GLU 604 Cb 0.30 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3afb h GLU 604 CO -0.25 0.91 -0.59 -0.91 -1.00 0.00 0.00 179.01 177.17 3afb h ASN 605 N 1.07 0.84 -0.36 1.42 2.35 -0.46 -2.42 115.58 118.02 3afb h ASN 605 Ca 0.24 -0.47 -0.09 0.00 -0.55 0.00 0.00 56.30 55.43 3afb h ASN 605 Cb 0.24 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3afb h ASN 605 CO -0.02 1.24 -0.09 0.58 -1.65 0.00 0.00 177.43 177.50 3afb h VAL 606 N 0.56 1.25 -0.15 2.81 2.07 -0.65 -0.68 116.25 121.47 3afb h VAL 606 Ca 0.00 -1.14 0.05 0.00 0.82 0.00 0.00 66.70 66.43 3afb h VAL 606 Cb 1.18 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 3afb h VAL 606 CO 0.12 0.39 -0.20 0.15 0.02 0.00 0.00 177.57 178.06 3afb h PHE 607 N 0.72 -0.52 -0.54 1.57 3.57 -0.84 0.99 116.94 121.91 3afb h PHE 607 Ca 0.13 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.69 3afb h PHE 607 Cb 0.56 0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.51 3afb h PHE 607 CO 0.03 -0.27 0.30 -0.09 -2.23 0.00 0.00 178.31 176.05 3afb h ARG 608 N -0.24 0.57 -0.69 1.11 9.65 -1.19 -0.01 114.38 123.59 3afb h ARG 608 Ca 0.10 -0.03 0.07 0.00 -1.10 0.00 0.00 59.98 59.02 3afb h ARG 608 Cb 0.40 -0.13 -0.06 0.00 -1.39 0.00 0.00 29.97 28.79 3afb h ARG 608 CO -0.29 0.38 0.37 1.96 2.80 0.00 0.00 179.97 185.19 3afb h GLN 609 N 0.59 0.65 -0.06 0.20 4.20 -0.63 -0.72 115.11 119.35 3afb h GLN 609 Ca 0.23 -0.04 -0.21 0.00 0.06 0.00 0.00 58.65 58.68 3afb h GLN 609 Cb 0.08 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.71 3afb h GLN 609 CO -0.12 0.43 -0.84 -0.07 -0.67 0.00 0.00 178.83 177.55 3afb h LEU 610 N 0.66 0.61 -1.53 1.46 3.38 -0.47 -2.82 115.31 116.61 3afb h LEU 610 Ca 0.32 -0.44 0.03 0.00 0.09 0.00 0.00 57.88 57.88 3afb h LEU 610 Cb 0.24 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3afb h LEU 610 CO -0.21 1.21 0.35 0.11 0.09 0.00 0.00 178.44 179.99 3afb h LYS 611 N 0.31 0.61 -0.05 1.13 1.79 -0.78 0.21 116.57 119.79 3afb h LYS 611 Ca -0.06 -0.04 -0.12 0.00 -2.18 0.00 0.00 60.65 58.25 3afb h LYS 611 Cb 1.45 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.95 3afb h LYS 611 CO 0.15 0.40 -0.54 0.37 -1.08 0.00 0.00 179.45 178.76 3afb h GLN 612 N 0.62 0.14 0.08 3.15 5.75 -0.95 -2.15 115.11 121.76 3afb h GLN 612 Ca 0.21 -0.08 -0.17 0.00 -0.15 0.00 0.00 58.65 58.46 3afb h GLN 612 Cb 0.05 0.01 0.02 0.00 1.07 0.00 0.00 27.48 28.63 3afb h GLN 612 CO -0.05 0.64 -0.70 0.82 -2.65 0.00 0.00 178.83 176.88 3afb h ILE 613 N 0.11 1.49 -2.18 2.39 2.04 -1.19 -3.41 117.51 116.76 3afb h ILE 613 Ca -0.00 -2.35 -0.60 0.00 1.00 0.00 0.00 64.86 62.91 3afb h ILE 613 Cb 0.98 2.98 -0.42 0.00 -0.74 0.00 0.00 36.82 39.63 3afb h ILE 613 CO 0.08 0.67 -0.63 -1.22 0.00 0.00 0.00 178.15 177.04 3afb n TYR 614 N -4.18 3.38 0.31 1.37 4.02 0.69 -4.93 117.16 117.81 3afb n TYR 614 Ca -0.12 -4.11 0.17 0.00 -0.01 0.00 0.00 57.90 53.83 3afb n TYR 614 Cb 0.75 -0.54 0.77 0.00 -0.02 0.00 0.00 39.34 40.30 3afb n TYR 614 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3afb h PRO 615 N 4.09 0.00 0.00 -0.72 0.13 -1.63 -2.18 132.00 131.70 3afb h PRO 615 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3afb h PRO 615 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 3afb h PRO 615 CO 0.81 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.63 3afb h GLU 616 N 0.00 0.00 -6.81 0.86 9.09 -1.91 -3.45 114.58 112.35 3afb h GLU 616 Ca 0.00 0.00 -0.48 0.00 0.05 0.00 0.00 59.36 58.93 3afb h GLU 616 Cb 0.29 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.37 3afb h GLU 616 CO 0.00 0.00 0.34 0.15 0.05 0.00 0.00 179.01 179.55 3afb s LYS 617 N -3.21 4.71 0.88 1.06 1.02 -0.82 -5.05 119.74 118.32 3afb s LYS 617 Ca 0.08 1.39 -0.11 0.00 0.02 0.00 0.00 55.97 57.35 3afb s LYS 617 Cb 0.10 -3.04 0.12 0.00 -0.52 0.00 0.00 37.83 34.50 3afb s LYS 617 CO 0.54 0.40 1.09 -1.54 -0.92 0.00 0.00 175.35 174.93 3afb s SER 618 N -1.40 3.61 0.26 2.83 1.04 -1.26 -4.83 113.70 113.94 3afb s SER 618 Ca 0.45 1.55 -0.03 0.00 0.48 0.00 0.00 55.95 58.40 3afb s SER 618 Cb -0.22 -2.23 0.41 0.00 0.10 0.00 0.00 66.02 64.08 3afb s SER 618 CO 0.28 -2.56 1.85 0.44 0.98 0.00 0.00 173.24 174.23 3afb h ASP 619 N -1.50 0.90 -0.61 7.02 3.32 -1.98 -1.13 116.42 122.44 3afb h ASP 619 Ca -0.49 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.50 3afb h ASP 619 Cb 1.28 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 3afb h ASP 619 CO 0.54 0.55 0.03 -0.33 -1.72 0.00 0.00 179.24 178.31 3afb h GLU 620 N 1.02 1.06 -0.63 3.56 3.07 -1.95 -0.82 114.58 119.89 3afb h GLU 620 Ca 0.42 -0.32 -0.07 0.00 -0.50 0.00 0.00 59.36 58.89 3afb h GLU 620 Cb 0.26 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 3afb h GLU 620 CO -0.20 1.02 0.10 0.93 -1.40 0.00 0.00 179.01 179.46 3afb h GLU 621 N 0.96 1.04 -0.21 2.33 5.08 -1.79 -1.03 114.58 120.96 3afb h GLU 621 Ca 0.18 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3afb h GLU 621 Cb 0.53 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3afb h GLU 621 CO 0.03 0.97 0.07 0.82 -1.00 0.00 0.00 179.01 179.89 3afb h ILE 622 N 0.95 1.18 -0.88 3.13 1.08 -0.96 -2.28 117.51 119.73 3afb h ILE 622 Ca 0.19 -0.56 0.01 0.00 -0.39 0.00 0.00 64.86 64.10 3afb h ILE 622 Cb 0.43 1.17 -0.04 0.00 -3.07 0.00 0.00 36.82 35.30 3afb h ILE 622 CO 0.01 0.18 0.58 -0.50 -0.69 0.00 0.00 178.15 177.73 3afb h TRP 623 N 0.17 1.11 -0.53 1.37 -0.00 -1.05 -1.74 115.95 115.28 3afb h TRP 623 Ca 0.07 0.02 0.01 0.00 -0.00 0.00 0.00 58.89 58.99 3afb h TRP 623 Cb 0.21 -0.38 -0.03 0.00 -0.00 0.00 0.00 29.16 28.97 3afb h TRP 623 CO -0.00 0.71 0.35 -0.22 -0.00 0.00 0.00 178.44 179.28 3afb h LYS 624 N 1.20 0.69 0.00 0.49 1.63 -0.97 -1.35 116.57 118.26 3afb h LYS 624 Ca 0.32 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.07 3afb h LYS 624 Cb -0.13 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 31.34 3afb h LYS 624 CO -0.07 0.46 -0.07 0.52 -3.45 0.00 0.00 179.45 176.84 3afb h MET 625 N 0.71 0.00 -6.13 1.90 2.86 -0.73 -3.05 114.93 110.49 3afb h MET 625 Ca 0.20 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.26 3afb h MET 625 Cb -0.06 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.55 3afb h MET 625 CO -0.04 0.07 -0.08 0.42 1.06 0.00 0.00 176.91 178.34 3afb s ILE 626 N -3.73 4.86 0.19 -1.22 1.01 -0.54 -0.56 121.20 121.21 3afb s ILE 626 Ca 0.00 1.11 0.08 0.00 0.00 0.00 0.00 60.65 61.85 3afb s ILE 626 Cb 0.10 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 3afb s ILE 626 CO 0.57 0.53 -0.16 -0.83 0.00 0.00 0.00 174.94 175.05 3afb s GLY 627 N -0.88 1.43 -0.02 6.18 0.00 -0.15 -1.43 107.32 112.44 3afb s GLY 627 Ca 0.28 -1.61 0.05 0.00 0.00 0.00 0.00 44.72 43.43 3afb s GLY 627 CO 0.17 -1.69 -0.16 1.08 0.00 0.00 0.00 173.10 172.49 3afb s LEU 628 N -3.11 1.97 -0.37 0.66 1.43 -1.01 -3.26 118.68 114.98 3afb s LEU 628 Ca 0.20 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 3afb s LEU 628 Cb -0.03 -0.88 0.12 0.00 0.03 0.00 0.00 46.19 45.43 3afb s LEU 628 CO 0.07 0.18 0.17 -0.89 0.23 0.00 0.00 176.35 176.10 3afb s THR 629 N -0.19 1.17 0.78 5.49 2.01 -0.68 -1.82 115.64 122.39 3afb s THR 629 Ca 0.02 -2.01 -0.12 0.00 0.31 0.00 0.00 61.69 59.90 3afb s THR 629 Cb -0.08 -1.85 0.06 0.00 0.01 0.00 0.00 72.50 70.64 3afb s THR 629 CO 0.00 -0.79 1.12 -2.84 -0.69 0.00 0.00 174.62 171.43 3afb s PRO 630 N 0.96 2.24 -0.28 4.92 0.02 -1.24 -0.96 135.00 140.67 3afb s PRO 630 Ca 0.14 0.40 -0.11 0.00 0.02 0.00 0.00 61.00 61.45 3afb s PRO 630 Cb -0.21 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.31 3afb s PRO 630 CO -0.11 -1.46 0.18 1.41 -0.33 0.00 0.00 177.00 176.69 3afb s MET 631 N -5.35 3.87 0.47 5.54 1.75 -1.26 -1.09 119.30 123.22 3afb s MET 631 Ca 0.60 -0.37 -0.22 0.00 -1.25 0.00 0.00 55.69 54.46 3afb s MET 631 Cb -0.12 -3.62 -0.08 0.00 2.84 0.00 0.00 34.83 33.85 3afb s MET 631 CO 0.52 -0.20 1.09 0.96 -0.65 0.00 0.00 175.02 176.74 3afb s ILE 632 N 1.74 3.47 0.00 10.11 -4.36 -0.78 -4.46 121.20 126.92 3afb s ILE 632 Ca 0.07 1.01 0.00 0.00 -0.26 0.00 0.00 60.65 61.47 3afb s ILE 632 Cb -0.16 -3.47 0.00 0.00 1.25 0.00 0.00 42.46 40.08 3afb s ILE 632 CO 0.10 -0.10 0.00 0.61 0.24 0.00 0.00 174.94 175.79 3afb n GLY 633 N 0.16 3.04 3.71 6.27 0.00 0.03 -4.67 105.19 113.73 3afb n GLY 633 Ca 0.08 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 3afb n GLY 633 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3afb s VAL 634 N 0.00 2.71 0.53 1.61 1.01 -0.14 -0.76 120.40 125.36 3afb s VAL 634 Ca 0.00 0.45 0.03 0.00 0.00 0.00 0.00 61.98 62.46 3afb s VAL 634 Cb 0.00 -3.29 0.04 0.00 0.00 0.00 0.00 36.38 33.13 3afb s VAL 634 CO 0.00 0.03 0.74 0.20 0.00 0.00 0.00 175.10 176.07 3afb s ASN 635 N 1.45 5.30 0.48 3.32 -0.87 0.35 -4.94 114.94 120.03 3afb s ASN 635 Ca 0.71 -0.18 0.15 0.00 -1.57 0.00 0.00 52.86 51.97 3afb s ASN 635 Cb -0.43 -0.70 1.14 0.00 -0.02 0.00 0.00 41.25 41.24 3afb s ASN 635 CO 0.31 -1.11 2.07 0.44 -2.57 0.00 0.00 177.10 176.25 3afb h ASP 636 N 0.18 0.00 -0.05 -1.22 3.32 -1.95 0.59 116.42 117.28 3afb h ASP 636 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 3afb h ASP 636 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3afb h ASP 636 CO 0.49 0.09 0.00 -0.90 -1.72 0.00 0.00 179.24 177.20 3afb n ASP 637 N -4.42 0.51 0.00 6.45 5.75 -1.26 -4.91 116.55 118.67 3afb n ASP 637 Ca -0.03 -1.53 0.00 0.00 -0.01 0.00 0.00 54.79 53.22 3afb n ASP 637 Cb 0.17 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 3afb n ASP 637 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3afb n LYS 638 N -0.44 -0.01 -1.25 0.11 4.76 0.20 -4.96 118.16 116.57 3afb n LYS 638 Ca 0.14 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.28 3afb n LYS 638 Cb 0.14 -2.93 0.13 0.00 -1.84 0.00 0.00 35.03 30.53 3afb n LYS 638 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3afb s SER 639 N -2.78 3.74 -0.11 4.39 1.04 -1.26 -4.73 113.70 113.99 3afb s SER 639 Ca 0.00 1.52 0.02 0.00 0.48 0.00 0.00 55.95 57.97 3afb s SER 639 Cb 0.00 -2.21 0.01 0.00 0.10 0.00 0.00 66.02 63.93 3afb s SER 639 CO 0.00 -2.47 -0.16 -0.69 0.98 0.00 0.00 173.24 170.90 3afb s VAL 640 N -2.95 1.55 -0.61 5.02 1.01 -1.26 -0.50 120.40 122.66 3afb s VAL 640 Ca 0.63 -0.67 -0.22 0.00 0.00 0.00 0.00 61.98 61.72 3afb s VAL 640 Cb -0.17 -1.42 0.07 0.00 0.00 0.00 0.00 36.38 34.86 3afb s VAL 640 CO 0.56 0.45 0.86 0.12 0.00 0.00 0.00 175.10 177.10 3afb s PHE 641 N 1.01 2.81 0.76 5.22 5.36 0.06 -4.65 117.98 128.54 3afb s PHE 641 Ca -0.06 -0.54 -0.08 0.00 -0.96 0.00 0.00 56.93 55.29 3afb s PHE 641 Cb -0.15 -4.10 0.09 0.00 -0.34 0.00 0.00 43.02 38.52 3afb s PHE 641 CO -0.02 -1.45 1.08 0.95 -1.46 0.00 0.00 175.22 174.32 3afb s THR 642 N 3.58 2.18 0.34 0.12 -4.23 -1.26 -0.79 115.64 115.59 3afb s THR 642 Ca 0.20 -0.23 0.06 0.00 -1.18 0.00 0.00 61.69 60.54 3afb s THR 642 Cb -0.18 -2.96 0.15 0.00 1.34 0.00 0.00 72.50 70.85 3afb s THR 642 CO 0.11 0.00 1.87 0.25 -0.54 0.00 0.00 174.62 176.31 3afb h LEU 643 N -0.81 0.42 -0.52 4.79 5.85 -1.99 -0.82 115.31 122.23 3afb h LEU 643 Ca -0.44 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.17 3afb h LEU 643 Cb 1.30 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 3afb h LEU 643 CO 0.56 0.53 0.21 -0.08 -0.34 0.00 0.00 178.44 179.32 3afb h GLU 644 N 0.42 0.77 -0.76 1.25 4.81 -1.99 -1.22 114.58 117.86 3afb h GLU 644 Ca 0.09 -0.14 0.07 0.00 -0.13 0.00 0.00 59.36 59.25 3afb h GLU 644 Cb 0.38 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.57 3afb h GLU 644 CO 0.02 0.68 0.43 -0.44 -0.73 0.00 0.00 179.01 178.97 3afb h ASP 645 N 0.69 0.63 -0.28 1.04 3.32 -1.75 -0.51 116.42 119.57 3afb h ASP 645 Ca 0.17 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.27 3afb h ASP 645 Cb 0.20 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3afb h ASP 645 CO -0.01 0.39 0.15 0.00 -1.72 0.00 0.00 179.24 178.04 3afb h ALA 646 N 1.40 0.34 -0.54 3.45 0.00 -0.76 0.09 119.26 123.24 3afb h ALA 646 Ca 0.35 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.20 3afb h ALA 646 Cb 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3afb h ALA 646 CO -0.21 -0.24 0.11 0.37 0.00 0.00 0.00 179.25 179.27 3afb h GLN 647 N 0.31 0.88 -0.70 0.00 5.75 -0.87 -0.73 115.11 119.74 3afb h GLN 647 Ca 0.11 -0.23 -0.02 0.00 -0.15 0.00 0.00 58.65 58.36 3afb h GLN 647 Cb 0.02 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.43 3afb h GLN 647 CO -0.07 0.85 0.35 0.37 -2.65 0.00 0.00 178.83 177.67 3afb h GLN 648 N 0.77 1.01 -0.33 1.69 4.15 -0.84 -1.42 115.11 120.14 3afb h GLN 648 Ca 0.17 -0.14 -0.10 0.00 0.77 0.00 0.00 58.65 59.34 3afb h GLN 648 Cb 0.38 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 3afb h GLN 648 CO 0.01 0.78 -0.18 1.25 -1.93 0.00 0.00 178.83 178.76 3afb h LEU 649 N 0.98 0.73 -0.25 -2.39 5.85 -0.69 -1.60 115.31 117.94 3afb h LEU 649 Ca 0.24 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.57 3afb h LEU 649 Cb 0.10 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3afb h LEU 649 CO -0.03 0.99 0.07 0.58 -0.34 0.00 0.00 178.44 179.71 3afb h VAL 650 N 0.48 0.92 -0.65 1.05 2.07 -1.01 0.14 116.25 119.25 3afb h VAL 650 Ca 0.07 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.55 3afb h VAL 650 Cb 0.72 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 3afb h VAL 650 CO 0.05 0.03 0.41 0.44 0.02 0.00 0.00 177.57 178.52 3afb h ASP 651 N 0.18 0.67 -0.66 0.57 3.32 -1.14 -0.23 116.42 119.14 3afb h ASP 651 Ca 0.11 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 3afb h ASP 651 Cb 0.09 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 3afb h ASP 651 CO -0.13 0.47 0.40 -0.25 -1.72 0.00 0.00 179.24 178.02 3afb h TRP 652 N 0.81 0.86 -0.60 4.55 7.01 -1.04 -1.74 115.95 125.80 3afb h TRP 652 Ca 0.26 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 61.18 3afb h TRP 652 Cb -0.00 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 26.75 3afb h TRP 652 CO -0.04 0.58 0.06 0.00 -2.79 0.00 0.00 178.44 176.24 3afb h ALA 653 N 1.21 0.80 -0.31 2.65 0.00 -0.09 -0.93 119.26 122.59 3afb h ALA 653 Ca 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3afb h ALA 653 Cb -0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3afb h ALA 653 CO -0.05 0.59 0.15 0.82 0.00 0.00 0.00 179.25 180.76 3afb h ILE 654 N 0.92 1.16 -0.74 0.00 2.04 -0.96 -1.33 117.51 118.59 3afb h ILE 654 Ca 0.18 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 3afb h ILE 654 Cb 0.48 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 3afb h ILE 654 CO 0.02 0.16 0.35 -0.61 0.00 0.00 0.00 178.15 178.07 3afb h GLN 655 N 0.37 1.07 -0.01 2.37 4.15 -0.99 -2.55 115.11 119.52 3afb h GLN 655 Ca 0.11 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3afb h GLN 655 Cb 0.12 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.62 3afb h GLN 655 CO -0.01 0.83 -0.17 0.72 -1.93 0.00 0.00 178.83 178.27 3afb n HIS 656 N -4.32 0.00 -3.85 3.99 8.25 -0.38 -4.95 115.22 113.95 3afb n HIS 656 Ca 0.07 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.27 3afb n HIS 656 Cb 0.14 -0.08 0.02 0.00 1.12 0.00 0.00 29.99 31.19 3afb n HIS 656 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3afb n LYS 657 N -0.38 -4.97 -1.19 -0.41 5.02 -0.52 -4.84 118.16 110.87 3afb n LYS 657 Ca 0.15 0.58 -0.30 0.00 -2.02 0.00 0.00 58.31 56.71 3afb n LYS 657 Cb 0.35 -5.26 0.14 0.00 -0.02 0.00 0.00 35.03 30.24 3afb n LYS 657 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3afb s ILE 658 N -3.51 2.65 0.20 -0.18 -4.36 -1.08 -4.14 121.20 110.77 3afb s ILE 658 Ca 0.35 0.21 -0.01 0.00 -0.26 0.00 0.00 60.65 60.93 3afb s ILE 658 Cb -0.18 -2.68 -0.06 0.00 1.25 0.00 0.00 42.46 40.79 3afb s ILE 658 CO 0.83 -0.27 1.50 1.23 0.24 0.00 0.00 174.94 178.47 3afb h GLY 659 N -1.56 0.52 -2.91 6.27 0.00 -0.86 -3.46 103.07 101.07 3afb h GLY 659 Ca -0.49 -0.63 0.09 0.00 0.00 0.00 0.00 47.33 46.29 3afb h GLY 659 CO 0.54 0.56 0.39 -1.35 0.00 0.00 0.00 176.54 176.68 3afb s SER 660 N -6.93 -0.37 0.08 0.19 1.04 -1.15 -1.79 113.70 104.78 3afb s SER 660 Ca -0.06 -0.15 0.04 0.00 0.48 0.00 0.00 55.95 56.26 3afb s SER 660 Cb 0.11 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.70 3afb s SER 660 CO 0.83 -0.85 -0.11 -0.76 0.98 0.00 0.00 173.24 173.33 3afb s LEU 661 N -2.70 2.35 0.31 2.42 1.43 -0.47 -2.40 118.68 119.62 3afb s LEU 661 Ca 0.06 -0.72 -0.09 0.00 -1.03 0.00 0.00 54.13 52.35 3afb s LEU 661 Cb -0.02 -0.36 0.01 0.00 0.03 0.00 0.00 46.19 45.85 3afb s LEU 661 CO -0.06 -0.19 0.53 0.00 0.23 0.00 0.00 176.35 176.86 3afb s ALA 662 N -1.95 0.05 0.14 4.21 0.00 -0.76 -2.15 121.76 121.31 3afb s ALA 662 Ca 0.01 -1.09 -0.15 0.00 0.00 0.00 0.00 51.96 50.73 3afb s ALA 662 Cb -0.06 1.04 0.03 0.00 0.00 0.00 0.00 23.12 24.12 3afb s ALA 662 CO 0.01 -0.85 0.40 -0.59 0.00 0.00 0.00 175.76 174.73 3afb s PHE 663 N -3.37 -0.11 -0.40 0.00 -0.12 -1.26 -3.60 117.98 109.12 3afb s PHE 663 Ca 0.24 -0.22 -0.12 0.00 -0.05 0.00 0.00 56.93 56.78 3afb s PHE 663 Cb -0.01 0.24 0.04 0.00 -0.63 0.00 0.00 43.02 42.66 3afb s PHE 663 CO 0.14 -0.74 0.26 -0.46 -0.05 0.00 0.00 175.22 174.37 3afb s TRP 664 N -3.84 3.26 0.29 3.49 -0.11 -0.25 -1.66 118.94 120.12 3afb s TRP 664 Ca 0.06 -0.95 -0.14 0.00 1.22 0.00 0.00 56.10 56.29 3afb s TRP 664 Cb 0.02 -2.64 0.01 0.00 -1.50 0.00 0.00 33.47 29.36 3afb s TRP 664 CO -0.09 -0.68 0.58 -1.54 -4.62 0.00 0.00 176.95 170.59 3afb s SER 665 N 1.79 0.03 0.13 5.86 1.04 -1.26 -1.87 113.70 119.42 3afb s SER 665 Ca 0.03 -0.97 -0.19 0.00 0.48 0.00 0.00 55.95 55.29 3afb s SER 665 Cb -0.20 0.67 -0.05 0.00 0.10 0.00 0.00 66.02 66.53 3afb s SER 665 CO 0.07 -1.29 1.77 0.58 0.98 0.00 0.00 173.24 175.35 3afb h VAL 666 N 2.14 1.02 0.00 5.02 2.07 -1.05 -2.60 116.25 122.86 3afb h VAL 666 Ca -0.26 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3afb h VAL 666 Cb 1.25 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 3afb h VAL 666 CO 0.34 0.05 0.00 0.47 0.02 0.00 0.00 177.57 178.45 3afb n ASP 667 N -4.97 0.26 -0.24 0.57 8.00 -1.26 -1.57 116.55 117.35 3afb n ASP 667 Ca -0.03 0.56 0.14 0.00 0.71 0.00 0.00 54.79 56.17 3afb n ASP 667 Cb 0.04 -0.62 0.63 0.00 -0.02 0.00 0.00 41.12 41.15 3afb n ASP 667 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3afb n ARG 668 N -1.78 1.13 -1.46 -1.24 1.74 -0.98 -3.64 116.66 110.43 3afb n ARG 668 Ca 0.03 -0.48 -0.36 0.00 -0.77 0.00 0.00 57.85 56.27 3afb n ARG 668 Cb 0.22 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.13 3afb n ARG 668 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3afb n ASP 669 N -0.51 8.20 -3.86 0.55 2.03 -0.61 -1.44 116.55 120.92 3afb n ASP 669 Ca 0.18 -2.73 -0.11 0.00 0.52 0.00 0.00 54.79 52.65 3afb n ASP 669 Cb 0.28 -1.49 -0.11 0.00 -0.72 0.00 0.00 41.12 39.09 3afb n ASP 669 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 3afb s HIS 670 N 1.09 -0.01 0.67 -0.67 3.76 -1.26 -0.95 115.29 117.93 3afb s HIS 670 Ca 0.65 -0.00 -0.15 0.00 -0.15 0.00 0.00 55.06 55.41 3afb s HIS 670 Cb 0.20 -0.02 0.01 0.00 1.11 0.00 0.00 32.58 33.87 3afb s HIS 670 CO -0.07 -0.23 1.15 -1.25 -0.85 0.00 0.00 174.74 173.48 3afb s PRO 671 N -1.02 2.62 0.33 8.40 0.04 -1.17 -1.63 135.00 142.57 3afb s PRO 671 Ca -0.11 1.55 -0.15 0.00 0.04 0.00 0.00 61.00 62.32 3afb s PRO 671 Cb -0.06 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.60 3afb s PRO 671 CO 0.01 -1.42 0.70 0.20 0.04 0.00 0.00 177.00 176.53 3afb s GLY 672 N -2.30 0.40 0.04 0.56 0.00 -0.75 -4.71 107.32 100.56 3afb s GLY 672 Ca 0.70 -0.74 -0.36 0.00 0.00 0.00 0.00 44.72 44.32 3afb s GLY 672 CO 0.41 -0.37 1.48 -1.05 0.00 0.00 0.00 173.10 173.58 3afb n PRO 673 N -0.50 1.44 -1.65 2.90 -0.02 -1.26 -3.79 135.00 132.12 3afb n PRO 673 Ca -0.05 0.52 -0.48 0.00 -2.02 0.00 0.00 63.50 61.46 3afb n PRO 673 Cb 0.60 -2.21 -0.05 0.00 -0.02 0.00 0.00 33.50 31.82 3afb n PRO 673 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3afb n THR 674 N 3.17 0.10 -0.98 3.45 -1.04 -1.26 -2.34 114.28 115.37 3afb n THR 674 Ca 0.19 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 3afb n THR 674 Cb 0.21 -1.38 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 3afb n THR 674 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3afb n GLY 675 N 3.36 0.75 3.74 3.41 0.00 -0.82 -5.02 105.19 110.62 3afb n GLY 675 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3afb n GLY 675 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3afb s GLU 676 N -0.07 4.24 -0.17 1.61 2.02 -0.99 -5.01 118.70 120.33 3afb s GLU 676 Ca 0.00 0.34 -0.19 0.00 0.02 0.00 0.00 54.97 55.15 3afb s GLU 676 Cb 0.00 -3.39 -0.03 0.00 0.10 0.00 0.00 34.13 30.80 3afb s GLU 676 CO 0.00 0.28 0.53 0.08 0.02 0.00 0.00 175.26 176.16 3afb s VAL 677 N 0.27 5.12 -0.00 2.63 1.01 -1.26 -3.93 120.40 124.24 3afb s VAL 677 Ca 0.23 1.01 -0.21 0.00 0.00 0.00 0.00 61.98 63.01 3afb s VAL 677 Cb -0.15 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.42 3afb s VAL 677 CO 0.09 0.22 0.46 -0.55 0.00 0.00 0.00 175.10 175.32 3afb s SER 678 N 0.97 -0.37 0.00 3.32 0.15 -1.26 -5.03 113.70 111.47 3afb s SER 678 Ca 0.26 0.26 0.29 0.00 0.70 0.00 0.00 55.95 57.46 3afb s SER 678 Cb -0.15 0.42 1.59 0.00 -1.71 0.00 0.00 66.02 66.17 3afb s SER 678 CO 0.10 -0.57 2.04 -0.81 1.20 0.00 0.00 173.24 175.20 3afb n PRO 679 N 0.90 0.65 0.00 5.44 -0.04 -1.26 -4.08 135.00 136.61 3afb n PRO 679 Ca -0.20 0.01 0.03 0.00 -0.04 0.00 0.00 63.50 63.31 3afb n PRO 679 Cb 0.58 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.53 3afb n PRO 679 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3afb n LEU 680 N -1.16 0.85 -3.82 1.53 4.77 -1.26 -3.66 117.00 114.25 3afb n LEU 680 Ca 0.18 -0.70 -0.06 0.00 -0.03 0.00 0.00 56.01 55.39 3afb n LEU 680 Cb 0.17 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 3afb n LEU 680 CO 0.19 0.18 0.57 -1.38 -1.33 0.00 0.00 177.39 175.63 3afb s HIS 681 N -1.23 -0.11 -0.50 -1.77 -3.43 -1.24 -4.53 115.29 102.48 3afb s HIS 681 Ca 0.05 -0.33 0.06 0.00 -0.80 0.00 0.00 55.06 54.04 3afb s HIS 681 Cb 0.06 0.71 0.15 0.00 -1.43 0.00 0.00 32.58 32.07 3afb s HIS 681 CO 0.20 -1.15 1.10 2.89 -2.00 0.00 0.00 174.74 175.79 3afb n ARG 682 N -0.49 2.72 -2.22 -0.38 1.85 -0.52 -4.22 116.66 113.41 3afb n ARG 682 Ca -0.05 -1.72 -0.18 0.00 -1.00 0.00 0.00 57.85 54.89 3afb n ARG 682 Cb 0.60 -1.14 -0.02 0.00 -1.05 0.00 0.00 32.46 30.85 3afb n ARG 682 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3afb n GLY 683 N 0.05 -0.05 3.48 2.89 0.00 -1.25 -0.96 105.19 109.34 3afb n GLY 683 Ca 0.06 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 3afb n GLY 683 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3afb s THR 684 N -2.88 0.76 -2.58 2.61 -4.23 -1.25 -1.94 115.64 106.13 3afb s THR 684 Ca 0.00 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 58.78 3afb s THR 684 Cb 0.00 -2.50 0.45 0.00 1.34 0.00 0.00 72.50 71.79 3afb s THR 684 CO 0.00 0.00 1.62 -0.46 -0.54 0.00 0.00 174.62 175.24 3afb n ASN 685 N -1.05 1.83 -4.77 3.99 6.94 -1.26 -1.81 115.26 119.13 3afb n ASN 685 Ca -0.04 -1.59 -0.39 0.00 -0.02 0.00 0.00 54.58 52.54 3afb n ASN 685 Cb 0.66 0.01 -0.01 0.00 -2.36 0.00 0.00 39.78 38.07 3afb n ASN 685 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 3afb s ASP 686 N -2.02 6.47 0.99 0.53 1.01 -1.26 -4.85 116.67 117.54 3afb s ASP 686 Ca 0.35 2.47 -0.12 0.00 0.71 0.00 0.00 52.55 55.96 3afb s ASP 686 Cb 0.21 -2.62 0.19 0.00 1.01 0.00 0.00 42.92 41.70 3afb s ASP 686 CO 0.34 -0.72 1.08 -2.16 0.21 0.00 0.00 175.17 173.91 3afb s PRO 687 N -2.23 0.45 0.13 8.23 0.04 -1.26 -3.04 135.00 137.32 3afb s PRO 687 Ca 0.56 0.80 -0.35 0.00 0.04 0.00 0.00 61.00 62.06 3afb s PRO 687 Cb -0.34 -1.72 -0.16 0.00 0.04 0.00 0.00 34.50 32.32 3afb s PRO 687 CO 0.43 -2.79 1.23 -0.25 0.04 0.00 0.00 177.00 175.65 3afb n ASP 688 N -4.26 1.40 -0.25 6.66 8.00 -1.26 -1.76 116.55 125.08 3afb n ASP 688 Ca 0.06 1.13 -0.03 0.00 0.71 0.00 0.00 54.79 56.66 3afb n ASP 688 Cb 0.55 -1.19 -0.01 0.00 -0.02 0.00 0.00 41.12 40.44 3afb n ASP 688 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3afb n TRP 689 N 1.92 0.00 -0.26 1.24 7.02 -0.12 -4.90 117.44 122.33 3afb n TRP 689 Ca 0.17 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.59 3afb n TRP 689 Cb 0.22 -1.38 0.05 0.00 -2.42 0.00 0.00 31.31 27.78 3afb n TRP 689 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3afb h ALA 690 N 0.00 0.92 -0.37 6.99 0.00 -1.58 -1.52 119.26 123.70 3afb h ALA 690 Ca -0.07 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 3afb h ALA 690 Cb 0.60 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3afb h ALA 690 CO 0.10 0.44 -0.26 0.74 0.00 0.00 0.00 179.25 180.27 3afb h PHE 691 N 0.99 0.98 -0.55 0.00 -1.00 -1.91 -2.56 116.94 112.88 3afb h PHE 691 Ca 0.25 -0.27 0.07 0.00 2.81 0.00 0.00 57.97 60.83 3afb h PHE 691 Cb 0.06 -0.22 -0.06 0.00 3.61 0.00 0.00 35.95 39.35 3afb h PHE 691 CO -0.00 1.04 0.24 0.77 -1.61 0.00 0.00 178.31 178.76 3afb h SER 692 N 0.63 0.30 -0.26 2.17 0.02 -1.78 -0.70 113.55 113.93 3afb h SER 692 Ca 0.07 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 3afb h SER 692 Cb 0.83 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 3afb h SER 692 CO 0.07 0.20 0.02 0.45 -1.14 0.00 0.00 176.83 176.43 3afb h HIS 693 N 0.46 0.58 -0.06 3.45 3.86 -1.13 -0.87 115.15 121.43 3afb h HIS 693 Ca 0.26 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.39 3afb h HIS 693 Cb 0.24 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 3afb h HIS 693 CO -0.13 0.55 -0.06 0.28 0.86 0.00 0.00 177.93 179.43 3afb h VAL 694 N 0.54 1.38 -0.32 2.45 2.07 -0.99 -3.26 116.25 118.12 3afb h VAL 694 Ca 0.12 -1.22 -0.04 0.00 0.82 0.00 0.00 66.70 66.38 3afb h VAL 694 Cb 0.31 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 3afb h VAL 694 CO 0.01 0.34 0.04 -0.26 0.02 0.00 0.00 177.57 177.72 3afb h PHE 695 N -0.30 0.47 -0.27 1.57 -1.00 -0.84 -2.39 116.94 114.19 3afb h PHE 695 Ca 0.01 -0.03 0.08 0.00 2.81 0.00 0.00 57.97 60.83 3afb h PHE 695 Cb 0.57 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.98 3afb h PHE 695 CO 0.09 0.44 0.19 0.28 -1.61 0.00 0.00 178.31 177.71 3afb h VAL 696 N 0.46 0.87 -0.14 -0.55 2.07 -1.20 -1.34 116.25 116.41 3afb h VAL 696 Ca 0.11 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.66 3afb h VAL 696 Cb 0.24 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3afb h VAL 696 CO 0.00 0.00 0.10 0.11 0.02 0.00 0.00 177.57 177.80 3afb h LYS 697 N 0.01 0.02 -0.25 1.57 1.57 -1.52 -0.96 116.57 117.01 3afb h LYS 697 Ca 0.13 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3afb h LYS 697 Cb 0.50 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3afb h LYS 697 CO -0.00 0.02 0.15 0.35 -0.57 0.00 0.00 179.45 179.39 3afb h PHE 698 N 0.03 0.34 -0.38 -1.35 3.57 -1.40 -2.06 116.94 115.69 3afb h PHE 698 Ca 0.06 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.42 3afb h PHE 698 Cb 0.23 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 3afb h PHE 698 CO -0.00 0.27 -0.33 1.98 -2.23 0.00 0.00 178.31 178.00 3afb h MET 699 N 0.31 0.86 -0.48 1.11 4.05 -1.37 -3.02 114.93 116.38 3afb h MET 699 Ca 0.09 -0.42 0.02 0.00 -0.28 0.00 0.00 59.70 59.11 3afb h MET 699 Cb 0.04 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.81 3afb h MET 699 CO -0.02 1.06 0.32 0.93 0.23 0.00 0.00 176.91 179.43 3afb h GLU 700 N 0.72 0.59 -0.21 0.39 5.08 -1.08 -1.50 114.58 118.57 3afb h GLU 700 Ca 0.07 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.46 3afb h GLU 700 Cb 0.89 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 3afb h GLU 700 CO 0.08 0.39 0.18 0.00 -1.00 0.00 0.00 179.01 178.66 3afb h ALA 701 N 1.71 2.03 -0.29 3.43 0.00 -1.24 -2.66 119.26 122.24 3afb h ALA 701 Ca 0.18 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3afb h ALA 701 Cb -0.00 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 3afb h ALA 701 CO -0.04 -0.29 -0.06 1.19 0.00 0.00 0.00 179.25 180.05 3afb n PHE 702 N -4.17 0.93 0.00 0.00 3.01 -0.58 -4.93 117.46 111.72 3afb n PHE 702 Ca 0.02 -1.33 0.00 0.00 1.01 0.00 0.00 57.45 57.15 3afb n PHE 702 Cb 0.32 -0.41 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 3afb n PHE 702 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3afb n GLY 703 N -0.96 1.38 3.75 1.37 0.00 -1.00 -4.90 105.19 104.83 3afb n GLY 703 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 3afb n GLY 703 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3afb s TYR 704 N -2.01 3.34 -0.13 1.61 5.04 -1.12 -5.00 117.35 119.08 3afb s TYR 704 Ca 0.00 1.49 -0.04 0.00 -2.44 0.00 0.00 57.07 56.08 3afb s TYR 704 Cb 0.00 -3.48 0.06 0.00 0.35 0.00 0.00 41.96 38.89 3afb s TYR 704 CO 0.00 -1.28 0.18 -0.08 -1.34 0.00 0.00 175.55 173.03 3afb s THR 705 N -0.76 -0.28 0.00 4.34 -1.32 -1.26 -4.35 115.64 112.01 3afb s THR 705 Ca 0.49 0.17 0.00 0.00 -1.21 0.00 0.00 61.69 61.14 3afb s THR 705 Cb -0.35 -0.44 0.00 0.00 -1.51 0.00 0.00 72.50 70.19 3afb s THR 705 CO 0.44 0.00 0.40 0.33 -2.21 0.00 0.00 174.62 173.58