#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dky h LEU 390 N 0.00 0.26 -8.48 7.52 7.12 -2.13 -3.48 115.31 116.12 1dky h LEU 390 Ca 0.00 -0.79 -0.33 0.00 0.13 0.00 0.00 57.88 56.88 1dky h LEU 390 Cb 0.00 -0.08 -0.18 0.00 -0.53 0.00 0.00 40.66 39.87 1dky h LEU 390 CO 0.00 1.55 -0.74 -0.76 -0.13 0.00 0.00 178.44 178.37 1dky s LEU 391 N -7.64 2.41 0.01 2.25 2.01 -1.26 -5.17 118.68 111.28 1dky s LEU 391 Ca -0.22 -0.82 0.03 0.00 0.01 0.00 0.00 54.13 53.14 1dky s LEU 391 Cb 0.04 -0.34 -0.01 0.00 0.01 0.00 0.00 46.19 45.89 1dky s LEU 391 CO 0.72 -0.25 -0.11 -0.76 1.01 0.00 0.00 176.35 176.97 1dky s LEU 392 N -2.46 2.07 -0.20 1.79 1.43 -1.26 -5.12 118.68 114.93 1dky s LEU 392 Ca 0.06 -0.26 -0.24 0.00 -1.03 0.00 0.00 54.13 52.65 1dky s LEU 392 Cb -0.03 -0.50 -0.01 0.00 0.03 0.00 0.00 46.19 45.68 1dky s LEU 392 CO 0.00 0.08 0.81 -1.81 0.23 0.00 0.00 176.35 175.66 1dky s ASP 393 N -0.52 6.88 0.05 2.29 1.01 -1.26 -5.04 116.67 120.08 1dky s ASP 393 Ca 0.02 1.08 0.02 0.00 0.71 0.00 0.00 52.55 54.39 1dky s ASP 393 Cb -0.05 -2.44 -0.03 0.00 1.01 0.00 0.00 42.92 41.42 1dky s ASP 393 CO 0.00 -0.43 -0.08 0.68 0.21 0.00 0.00 175.17 175.55 1dky s VAL 394 N 2.40 0.60 -0.19 -1.27 -7.23 -1.26 -2.07 120.40 111.39 1dky s VAL 394 Ca 0.36 -1.22 -0.29 0.00 -1.81 0.00 0.00 61.98 59.02 1dky s VAL 394 Cb -0.16 -0.79 -0.00 0.00 0.56 0.00 0.00 36.38 35.99 1dky s VAL 394 CO 0.10 -0.44 1.07 0.42 -0.31 0.00 0.00 175.10 175.94 1dky s THR 395 N -1.69 4.62 0.42 5.32 -4.23 0.60 -4.79 115.64 115.88 1dky s THR 395 Ca -0.06 1.94 0.09 0.00 -1.18 0.00 0.00 61.69 62.48 1dky s THR 395 Cb -0.08 -4.25 0.23 0.00 1.34 0.00 0.00 72.50 69.74 1dky s THR 395 CO -0.00 -0.13 2.02 1.55 -0.54 0.00 0.00 174.62 177.52 1dky h PRO 396 N 7.49 0.37 -4.60 3.99 0.13 -1.96 0.95 132.00 138.37 1dky h PRO 396 Ca -0.23 -0.04 -0.23 0.00 -0.87 0.00 0.00 66.00 64.62 1dky h PRO 396 Cb 1.09 -0.07 -0.15 0.00 0.13 0.00 0.00 31.00 32.00 1dky h PRO 396 CO 0.95 0.32 -0.65 -0.51 -0.23 0.00 0.00 178.00 177.88 1dky s LEU 397 N -9.20 1.87 0.59 1.56 1.43 -1.26 -4.58 118.68 109.09 1dky s LEU 397 Ca -0.07 -1.21 -0.17 0.00 -1.03 0.00 0.00 54.13 51.65 1dky s LEU 397 Cb 0.17 0.15 -0.03 0.00 0.03 0.00 0.00 46.19 46.51 1dky s LEU 397 CO 0.72 -0.68 1.09 -0.44 0.23 0.00 0.00 176.35 177.28 1dky s SER 398 N -3.12 5.60 -0.04 2.29 0.01 -1.25 -4.44 113.70 112.76 1dky s SER 398 Ca 0.25 1.97 0.04 0.00 1.31 0.00 0.00 55.95 59.52 1dky s SER 398 Cb 0.07 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.75 1dky s SER 398 CO 0.04 -1.29 -0.15 -0.76 0.41 0.00 0.00 173.24 171.49 1dky s LEU 399 N -4.36 1.88 0.00 2.44 1.43 0.10 -1.82 118.68 118.36 1dky s LEU 399 Ca 0.67 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 1dky s LEU 399 Cb -0.19 -0.84 0.00 0.00 0.03 0.00 0.00 46.19 45.19 1dky s LEU 399 CO 0.34 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.66 1dky n GLY 400 N 3.15 1.83 3.31 -3.19 0.00 -0.44 -0.27 105.19 109.58 1dky n GLY 400 Ca -0.18 -0.89 -0.23 0.00 0.00 0.00 0.00 46.02 44.72 1dky n GLY 400 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1dky s ILE 401 N -2.75 1.78 0.19 -0.61 -4.36 0.17 -1.03 121.20 114.58 1dky s ILE 401 Ca 0.00 -1.77 -0.30 0.00 -0.26 0.00 0.00 60.65 58.32 1dky s ILE 401 Cb 0.00 -1.73 -0.08 0.00 1.25 0.00 0.00 42.46 41.90 1dky s ILE 401 CO 0.00 -0.21 0.95 -0.70 0.24 0.00 0.00 174.94 175.22 1dky s GLU 402 N -2.44 4.79 0.25 0.37 2.12 -0.92 0.31 118.70 123.18 1dky s GLU 402 Ca 0.12 1.48 0.01 0.00 0.36 0.00 0.00 54.97 56.94 1dky s GLU 402 Cb -0.07 -3.32 -0.00 0.00 0.26 0.00 0.00 34.13 30.99 1dky s GLU 402 CO 0.06 0.39 0.04 0.25 -0.54 0.00 0.00 175.26 175.46 1dky n THR 403 N 2.01 0.00 -1.66 -1.70 -2.24 -1.11 -4.68 114.28 104.91 1dky n THR 403 Ca -0.00 -1.32 -0.46 0.00 -2.27 0.00 0.00 64.05 60.00 1dky n THR 403 Cb 0.48 0.37 -0.04 0.00 -2.10 0.00 0.00 70.33 69.04 1dky n THR 403 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1dky n MET 404 N -0.61 2.00 0.00 -0.78 1.56 -1.26 -2.19 117.12 115.84 1dky n MET 404 Ca -0.08 0.72 0.00 0.00 -0.27 0.00 0.00 57.70 58.07 1dky n MET 404 Cb 0.35 -2.43 0.00 0.00 2.15 0.00 0.00 33.22 33.29 1dky n MET 404 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1dky n GLY 405 N 2.82 2.68 0.94 -5.12 0.00 -1.26 -4.28 105.19 100.97 1dky n GLY 405 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1dky n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dky n GLY 406 N -0.83 0.77 2.41 -0.02 0.00 -0.93 -4.96 105.19 101.63 1dky n GLY 406 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1dky n GLY 406 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1dky n VAL 407 N -2.30 0.00 -3.73 1.61 3.14 -1.23 -0.05 118.33 115.76 1dky n VAL 407 Ca 0.00 -0.60 -0.19 0.00 -2.96 0.00 0.00 64.34 60.59 1dky n VAL 407 Cb 0.00 -1.67 -0.17 0.00 -1.06 0.00 0.00 33.84 30.94 1dky n VAL 407 CO 0.00 0.00 0.00 -0.32 -6.46 0.00 0.00 176.83 170.05 1dky s MET 408 N -4.81 0.07 -0.23 1.45 1.75 -0.83 -2.75 119.30 113.95 1dky s MET 408 Ca 0.47 0.27 -0.14 0.00 -1.25 0.00 0.00 55.69 55.04 1dky s MET 408 Cb -0.01 -0.52 -0.04 0.00 2.84 0.00 0.00 34.83 37.09 1dky s MET 408 CO 0.33 -0.28 0.33 0.99 -0.65 0.00 0.00 175.02 175.74 1dky s THR 409 N 1.82 5.24 -0.13 10.11 2.01 0.15 -4.92 115.64 129.91 1dky s THR 409 Ca 0.01 0.52 -0.27 0.00 0.31 0.00 0.00 61.69 62.26 1dky s THR 409 Cb -0.12 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 1dky s THR 409 CO -0.03 0.25 0.89 -0.89 -0.69 0.00 0.00 174.62 174.14 1dky s THR 410 N 1.46 4.86 -0.19 -0.82 2.01 -1.26 0.42 115.64 122.11 1dky s THR 410 Ca 0.15 1.77 0.11 0.00 0.31 0.00 0.00 61.69 64.03 1dky s THR 410 Cb -0.15 -4.20 -0.20 0.00 0.01 0.00 0.00 72.50 67.97 1dky s THR 410 CO 0.08 0.04 -0.02 0.18 -0.69 0.00 0.00 174.62 174.21 1dky n LEU 411 N 4.98 0.94 -3.91 4.42 4.32 0.63 -4.83 117.00 123.55 1dky n LEU 411 Ca 0.05 -0.04 -0.30 0.00 -0.02 0.00 0.00 56.01 55.70 1dky n LEU 411 Cb 0.49 0.05 -0.15 0.00 -1.62 0.00 0.00 43.42 42.19 1dky n LEU 411 CO 0.50 0.58 -0.36 -0.63 -1.22 0.00 0.00 177.39 176.26 1dky s ILE 412 N -2.44 1.62 0.66 -0.08 1.01 0.37 -4.71 121.20 117.64 1dky s ILE 412 Ca -0.16 -1.72 -0.17 0.00 0.00 0.00 0.00 60.65 58.60 1dky s ILE 412 Cb 0.06 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.42 1dky s ILE 412 CO 0.67 -0.48 1.20 0.00 0.00 0.00 0.00 174.94 176.33 1dky s ALA 413 N 1.27 2.34 0.22 9.38 0.00 -1.26 0.01 121.76 133.71 1dky s ALA 413 Ca 0.06 0.91 -0.32 0.00 0.00 0.00 0.00 51.96 52.61 1dky s ALA 413 Cb -0.18 -3.45 -0.14 0.00 0.00 0.00 0.00 23.12 19.34 1dky s ALA 413 CO -0.13 -1.52 1.29 1.17 0.00 0.00 0.00 175.76 176.57 1dky n LYS 414 N -2.21 1.66 -2.97 0.00 4.81 -1.26 -3.05 118.16 115.14 1dky n LYS 414 Ca 0.13 0.59 -0.14 0.00 -0.87 0.00 0.00 58.31 58.02 1dky n LYS 414 Cb 0.50 -2.17 0.04 0.00 0.02 0.00 0.00 35.03 33.42 1dky n LYS 414 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1dky n ASN 415 N 2.03 -4.57 -4.83 3.14 3.02 0.33 -4.93 115.26 109.45 1dky n ASN 415 Ca 0.13 -0.26 -0.38 0.00 -0.03 0.00 0.00 54.58 54.03 1dky n ASN 415 Cb 0.29 -3.29 -0.06 0.00 -0.61 0.00 0.00 39.78 36.11 1dky n ASN 415 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1dky s THR 416 N -3.07 4.90 -0.32 3.41 2.01 -1.17 -4.67 115.64 116.73 1dky s THR 416 Ca 0.28 0.99 -0.29 0.00 0.31 0.00 0.00 61.69 62.99 1dky s THR 416 Cb -0.12 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 1dky s THR 416 CO 0.35 0.55 1.68 0.42 -0.69 0.00 0.00 174.62 176.93 1dky s THR 417 N -1.12 3.61 -0.34 -0.82 -4.23 -1.25 -0.29 115.64 111.20 1dky s THR 417 Ca 0.27 0.64 -0.26 0.00 -1.18 0.00 0.00 61.69 61.16 1dky s THR 417 Cb -0.18 -3.78 0.01 0.00 1.34 0.00 0.00 72.50 69.90 1dky s THR 417 CO 0.16 -0.46 0.91 -0.63 -0.54 0.00 0.00 174.62 174.06 1dky s ILE 418 N 6.21 4.64 0.00 2.99 1.01 -0.88 -4.13 121.20 131.04 1dky s ILE 418 Ca 0.74 1.29 0.00 0.00 0.00 0.00 0.00 60.65 62.68 1dky s ILE 418 Cb -0.21 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 37.97 1dky s ILE 418 CO 0.33 -0.43 0.00 -0.81 0.00 0.00 0.00 174.94 174.03 1dky n PRO 419 N 6.59 0.00 -4.18 2.79 -0.05 -1.18 -4.43 135.00 134.55 1dky n PRO 419 Ca 0.07 0.00 -0.11 0.00 -0.05 0.00 0.00 63.50 63.41 1dky n PRO 419 Cb 0.48 0.00 -0.10 0.00 -0.05 0.00 0.00 33.50 33.83 1dky n PRO 419 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 175.50 175.37 1dky s THR 420 N 0.00 0.60 -0.16 0.52 -1.32 -0.81 -4.98 115.64 109.49 1dky s THR 420 Ca 0.00 -1.93 -0.10 0.00 -1.21 0.00 0.00 61.69 58.44 1dky s THR 420 Cb 0.00 -1.79 0.05 0.00 -1.51 0.00 0.00 72.50 69.26 1dky s THR 420 CO 0.00 -0.77 0.41 -1.59 -2.21 0.00 0.00 174.62 170.45 1dky s LYS 421 N -3.87 0.41 0.02 7.08 -2.85 -1.26 -1.41 119.74 117.85 1dky s LYS 421 Ca 0.15 0.73 0.01 0.00 -1.00 0.00 0.00 55.97 55.85 1dky s LYS 421 Cb 0.06 0.04 -0.01 0.00 -2.06 0.00 0.00 37.83 35.85 1dky s LYS 421 CO -0.03 -0.13 -0.03 -1.01 0.10 0.00 0.00 175.35 174.24 1dky s HIS 422 N 1.10 0.29 0.00 1.78 3.76 -0.21 -5.00 115.29 117.01 1dky s HIS 422 Ca -0.07 -0.31 0.01 0.00 -0.15 0.00 0.00 55.06 54.54 1dky s HIS 422 Cb -0.07 -0.19 -0.00 0.00 1.11 0.00 0.00 32.58 33.42 1dky s HIS 422 CO -0.09 -0.09 -0.04 -1.54 -0.85 0.00 0.00 174.74 172.12 1dky s SER 423 N -0.89 0.48 0.01 1.40 1.04 -1.26 -0.82 113.70 113.66 1dky s SER 423 Ca -0.08 -0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.24 1dky s SER 423 Cb -0.06 -0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.01 1dky s SER 423 CO -0.00 0.02 -0.04 -1.58 0.98 0.00 0.00 173.24 172.62 1dky s GLN 424 N -0.24 0.29 -0.19 4.02 0.74 -0.88 -5.00 119.66 118.41 1dky s GLN 424 Ca 0.00 -0.31 -0.16 0.00 0.05 0.00 0.00 55.36 54.94 1dky s GLN 424 Cb -0.02 -0.16 -0.04 0.00 1.10 0.00 0.00 33.01 33.88 1dky s GLN 424 CO -0.00 0.04 0.38 0.08 -0.55 0.00 0.00 175.29 175.24 1dky s VAL 425 N -0.57 5.22 0.41 1.34 1.01 -1.26 -1.89 120.40 124.66 1dky s VAL 425 Ca -0.04 0.70 0.02 0.00 0.00 0.00 0.00 61.98 62.65 1dky s VAL 425 Cb -0.04 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.64 1dky s VAL 425 CO -0.00 0.28 0.15 0.49 0.00 0.00 0.00 175.10 176.02 1dky n PHE 426 N 4.24 0.10 -2.91 5.22 3.01 0.22 -4.93 117.46 122.41 1dky n PHE 426 Ca -0.09 -1.87 0.00 0.00 1.01 0.00 0.00 57.45 56.50 1dky n PHE 426 Cb 0.51 -0.30 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 1dky n PHE 426 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1dky n SER 427 N -1.54 0.00 -4.92 4.37 2.88 -1.26 -0.30 113.62 112.85 1dky n SER 427 Ca -0.09 -0.26 -0.20 0.00 -1.33 0.00 0.00 58.87 56.98 1dky n SER 427 Cb 0.49 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.93 1dky n SER 427 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1dky s THR 428 N -1.88 3.97 -0.23 2.46 -4.23 -1.26 -4.93 115.64 109.54 1dky s THR 428 Ca 0.00 -1.19 0.09 0.00 -1.18 0.00 0.00 61.69 59.41 1dky s THR 428 Cb 0.00 -3.35 -0.20 0.00 1.34 0.00 0.00 72.50 70.28 1dky s THR 428 CO 0.00 -0.20 -0.09 0.00 -0.54 0.00 0.00 174.62 173.80 1dky n ALA 429 N -1.47 1.48 -2.77 3.99 0.00 -1.26 -2.70 120.51 117.79 1dky n ALA 429 Ca -0.02 -1.20 -0.26 0.00 0.00 0.00 0.00 53.44 51.96 1dky n ALA 429 Cb 0.59 -0.13 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 1dky n ALA 429 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1dky s GLU 430 N -2.50 2.79 0.21 0.00 1.03 -1.26 -4.70 118.70 114.27 1dky s GLU 430 Ca -0.23 -0.92 -0.30 0.00 0.03 0.00 0.00 54.97 53.56 1dky s GLU 430 Cb 0.07 -2.58 -0.09 0.00 -0.80 0.00 0.00 34.13 30.73 1dky s GLU 430 CO 0.70 0.48 1.30 -0.51 -1.33 0.00 0.00 175.26 175.90 1dky s ASP 431 N -3.04 6.90 -1.29 0.83 1.11 -1.26 -2.53 116.67 117.40 1dky s ASP 431 Ca 0.30 2.41 0.00 0.00 0.18 0.00 0.00 52.55 55.44 1dky s ASP 431 Cb -0.10 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.28 1dky s ASP 431 CO 0.22 -0.51 0.00 0.59 1.18 0.00 0.00 175.17 176.65 1dky n ASN 432 N 2.50 -4.40 -4.68 0.27 5.03 0.16 -4.88 115.26 109.26 1dky n ASN 432 Ca 0.06 0.23 -0.42 0.00 0.87 0.00 0.00 54.58 55.31 1dky n ASN 432 Cb 0.43 -3.19 -0.03 0.00 -1.02 0.00 0.00 39.78 35.97 1dky n ASN 432 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 1dky s GLN 433 N -3.52 4.22 0.09 3.52 0.74 -1.05 -4.71 119.66 118.95 1dky s GLN 433 Ca 0.00 2.13 0.20 0.00 0.05 0.00 0.00 55.36 57.75 1dky s GLN 433 Cb 0.00 -3.71 -0.13 0.00 1.10 0.00 0.00 33.01 30.27 1dky s GLN 433 CO 0.00 -0.71 0.80 -1.13 -0.55 0.00 0.00 175.29 173.70 1dky n SER 434 N 6.03 0.65 -3.88 6.67 3.41 -1.26 -4.66 113.62 120.57 1dky n SER 434 Ca 0.15 0.27 -0.10 0.00 -0.26 0.00 0.00 58.87 58.93 1dky n SER 434 Cb 0.42 0.66 -0.09 0.00 -0.26 0.00 0.00 64.21 64.95 1dky n SER 434 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dky s ALA 435 N -3.18 -0.23 0.03 7.33 0.00 -1.26 0.11 121.76 124.54 1dky s ALA 435 Ca -0.03 -0.39 0.07 0.00 0.00 0.00 0.00 51.96 51.60 1dky s ALA 435 Cb 0.10 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.46 1dky s ALA 435 CO 0.82 -0.34 -0.20 0.14 0.00 0.00 0.00 175.76 176.19 1dky s VAL 436 N -2.53 1.56 -0.28 0.00 -7.23 -0.40 -4.95 120.40 106.57 1dky s VAL 436 Ca -0.05 -1.06 -0.10 0.00 -1.81 0.00 0.00 61.98 58.95 1dky s VAL 436 Cb -0.01 -1.35 -0.04 0.00 0.56 0.00 0.00 36.38 35.54 1dky s VAL 436 CO -0.04 0.25 0.16 -0.55 -0.31 0.00 0.00 175.10 174.62 1dky s SER 437 N -0.95 5.76 -0.62 4.85 0.15 -1.26 -0.49 113.70 121.13 1dky s SER 437 Ca 0.07 -0.16 -0.21 0.00 0.70 0.00 0.00 55.95 56.35 1dky s SER 437 Cb -0.08 -2.06 0.08 0.00 -1.71 0.00 0.00 66.02 62.25 1dky s SER 437 CO 0.01 -0.08 0.85 -0.63 1.20 0.00 0.00 173.24 174.59 1dky s ILE 438 N 1.71 4.54 -0.50 6.45 -1.09 0.42 -4.92 121.20 127.80 1dky s ILE 438 Ca 0.06 -0.59 -0.19 0.00 -2.23 0.00 0.00 60.65 57.70 1dky s ILE 438 Cb -0.16 -4.59 0.06 0.00 -1.58 0.00 0.00 42.46 36.19 1dky s ILE 438 CO 0.09 -1.29 0.62 -2.28 -1.23 0.00 0.00 174.94 170.84 1dky s HIS 439 N 3.47 3.06 0.14 3.97 2.46 -1.26 -0.56 115.29 126.56 1dky s HIS 439 Ca 0.18 -0.53 -0.30 0.00 0.47 0.00 0.00 55.06 54.87 1dky s HIS 439 Cb -0.20 -3.52 -0.07 0.00 -0.13 0.00 0.00 32.58 28.67 1dky s HIS 439 CO 0.09 -1.02 1.08 0.08 -2.47 0.00 0.00 174.74 172.51 1dky s VAL 440 N 2.60 4.06 0.03 0.89 1.01 0.15 -2.18 120.40 126.97 1dky s VAL 440 Ca 0.15 1.69 -0.02 0.00 0.00 0.00 0.00 61.98 63.81 1dky s VAL 440 Cb -0.19 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 1dky s VAL 440 CO 0.12 0.25 0.00 -0.76 0.00 0.00 0.00 175.10 174.71 1dky s LEU 441 N -0.01 2.21 -0.06 3.92 1.43 -0.20 -1.57 118.68 124.40 1dky s LEU 441 Ca 0.51 -0.66 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1dky s LEU 441 Cb -0.28 0.25 0.02 0.00 0.03 0.00 0.00 46.19 46.21 1dky s LEU 441 CO 0.33 -0.44 -0.06 -1.58 0.23 0.00 0.00 176.35 174.82 1dky s GLN 442 N -2.48 1.11 0.00 1.70 0.74 0.27 -1.33 119.66 119.66 1dky s GLN 442 Ca -0.06 -0.19 0.00 0.00 0.05 0.00 0.00 55.36 55.16 1dky s GLN 442 Cb -0.02 -1.06 0.00 0.00 1.10 0.00 0.00 33.01 33.02 1dky s GLN 442 CO -0.05 -0.08 0.00 0.41 -0.55 0.00 0.00 175.29 175.02 1dky n GLY 443 N 4.14 -0.68 0.02 2.59 0.00 -0.76 0.14 105.19 110.64 1dky n GLY 443 Ca -0.22 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1dky n GLY 443 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dky n GLU 444 N -0.95 3.40 -1.23 1.61 -0.58 -1.26 -3.85 120.64 117.78 1dky n GLU 444 Ca 0.00 -0.25 -0.29 0.00 -0.42 0.00 0.00 57.16 56.20 1dky n GLU 444 Cb 0.00 -0.75 0.19 0.00 -0.57 0.00 0.00 31.44 30.31 1dky n GLU 444 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1dky s ARG 445 N -0.65 0.02 -0.11 3.49 1.81 -1.26 -4.98 118.95 117.27 1dky s ARG 445 Ca 0.01 0.26 0.07 0.00 -1.72 0.00 0.00 55.73 54.35 1dky s ARG 445 Cb 0.01 -1.71 -0.24 0.00 -0.45 0.00 0.00 34.95 32.56 1dky s ARG 445 CO 0.03 -2.95 0.39 0.36 -0.68 0.00 0.00 175.30 172.45 1dky n LYS 446 N -4.28 0.68 -2.51 3.54 2.85 -1.26 -4.82 118.16 112.36 1dky n LYS 446 Ca 0.08 0.22 -0.43 0.00 -1.05 0.00 0.00 58.31 57.13 1dky n LYS 446 Cb 0.58 -1.70 -0.02 0.00 -0.65 0.00 0.00 35.03 33.25 1dky n LYS 446 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1dky s ARG 447 N -2.56 4.21 0.59 -1.58 0.52 -1.26 -1.96 118.95 116.91 1dky s ARG 447 Ca -0.13 1.51 0.29 0.00 -0.52 0.00 0.00 55.73 56.87 1dky s ARG 447 Cb 0.07 -3.73 1.50 0.00 0.52 0.00 0.00 34.95 33.32 1dky s ARG 447 CO 0.79 -0.72 1.94 0.00 0.02 0.00 0.00 175.30 177.33 1dky h ALA 448 N 8.02 2.14 0.00 2.13 0.00 -0.52 0.17 119.26 131.19 1dky h ALA 448 Ca -0.24 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1dky h ALA 448 Cb 1.09 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1dky h ALA 448 CO 0.98 -0.64 -0.18 0.00 0.00 0.00 0.00 179.25 179.41 1dky h ALA 449 N 1.53 1.08 -0.85 0.00 0.00 -1.90 -2.92 119.26 116.19 1dky h ALA 449 Ca 0.20 -0.16 -0.44 0.00 0.00 0.00 0.00 54.91 54.50 1dky h ALA 449 Cb 1.06 -0.03 -0.26 0.00 0.00 0.00 0.00 17.79 18.56 1dky h ALA 449 CO -0.00 0.22 0.56 -0.25 0.00 0.00 0.00 179.25 179.78 1dky n ASP 450 N -3.42 3.67 -4.17 0.00 8.00 0.60 -4.95 116.55 116.28 1dky n ASP 450 Ca -0.00 -3.37 -0.21 0.00 0.71 0.00 0.00 54.79 51.91 1dky n ASP 450 Cb 0.37 -0.79 -0.09 0.00 -0.02 0.00 0.00 41.12 40.59 1dky n ASP 450 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1dky s ASN 451 N -0.97 2.02 -0.09 -2.24 0.01 -1.10 -4.52 114.94 108.04 1dky s ASN 451 Ca 0.49 -1.53 -0.24 0.00 -0.71 0.00 0.00 52.86 50.87 1dky s ASN 451 Cb 0.41 0.29 -0.03 0.00 0.41 0.00 0.00 41.25 42.33 1dky s ASN 451 CO 0.10 -0.82 0.74 -0.75 -1.51 0.00 0.00 177.10 174.85 1dky s LYS 452 N -3.83 4.40 -0.36 -0.60 2.47 0.36 -4.87 119.74 117.30 1dky s LYS 452 Ca 0.33 0.92 -0.21 0.00 -1.56 0.00 0.00 55.97 55.45 1dky s LYS 452 Cb 0.05 -3.49 0.00 0.00 -1.46 0.00 0.00 37.83 32.94 1dky s LYS 452 CO 0.16 -0.05 0.64 0.45 0.16 0.00 0.00 175.35 176.71 1dky s SER 453 N 0.92 6.42 0.22 1.43 0.15 -1.26 0.95 113.70 122.53 1dky s SER 453 Ca 0.38 0.11 0.24 0.00 0.70 0.00 0.00 55.95 57.38 1dky s SER 453 Cb -0.17 -2.33 0.33 0.00 -1.71 0.00 0.00 66.02 62.14 1dky s SER 453 CO 0.17 -0.62 1.38 -0.07 1.20 0.00 0.00 173.24 175.31 1dky h LEU 454 N 9.42 0.00 0.00 3.45 3.38 -1.63 -3.49 115.31 126.45 1dky h LEU 454 Ca -0.26 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1dky h LEU 454 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1dky h LEU 454 CO 0.84 0.04 0.00 0.61 0.09 0.00 0.00 178.44 180.02 1dky n GLY 455 N 1.24 0.99 3.35 0.83 0.00 -1.22 -4.95 105.19 105.43 1dky n GLY 455 Ca 0.03 -1.39 -0.14 0.00 0.00 0.00 0.00 46.02 44.52 1dky n GLY 455 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dky s GLN 456 N -1.86 0.64 0.04 1.61 -1.52 -1.26 0.33 119.66 117.64 1dky s GLN 456 Ca 0.00 0.39 -0.08 0.00 -1.95 0.00 0.00 55.36 53.73 1dky s GLN 456 Cb 0.00 0.30 -0.00 0.00 -0.22 0.00 0.00 33.01 33.09 1dky s GLN 456 CO 0.00 -0.13 0.15 -0.59 -0.25 0.00 0.00 175.29 174.47 1dky s PHE 457 N -0.32 0.13 -0.10 0.91 -0.12 0.28 -4.96 117.98 113.80 1dky s PHE 457 Ca -0.05 -0.41 -0.02 0.00 -0.05 0.00 0.00 56.93 56.40 1dky s PHE 457 Cb -0.03 -0.09 -0.03 0.00 -0.63 0.00 0.00 43.02 42.24 1dky s PHE 457 CO 0.03 -0.41 0.00 -0.80 -0.05 0.00 0.00 175.22 173.99 1dky s ASN 458 N -2.19 5.21 -0.38 1.98 0.02 -1.26 0.16 114.94 118.49 1dky s ASN 458 Ca -0.04 0.12 0.04 0.00 -1.02 0.00 0.00 52.86 51.96 1dky s ASN 458 Cb -0.00 -1.52 0.11 0.00 0.02 0.00 0.00 41.25 39.85 1dky s ASN 458 CO -0.05 0.35 0.10 -0.22 0.02 0.00 0.00 177.10 177.30 1dky s LEU 459 N -0.71 4.51 0.00 0.60 2.96 0.35 -4.82 118.68 121.57 1dky s LEU 459 Ca 0.11 -2.33 0.00 0.00 -0.22 0.00 0.00 54.13 51.69 1dky s LEU 459 Cb -0.12 -1.59 0.00 0.00 0.50 0.00 0.00 46.19 44.99 1dky s LEU 459 CO 0.02 -0.35 0.00 -0.90 -1.32 0.00 0.00 176.35 173.80 1dky n ASP 460 N 4.02 0.00 -0.19 3.68 5.68 -1.26 -1.27 116.55 127.20 1dky n ASP 460 Ca 0.04 -0.86 -0.02 0.00 -0.50 0.00 0.00 54.79 53.44 1dky n ASP 460 Cb 0.40 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.37 1dky n ASP 460 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dky n GLY 461 N 5.00 0.58 3.62 6.12 0.00 -0.78 -4.89 105.19 114.84 1dky n GLY 461 Ca 0.00 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 1dky n GLY 461 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dky s ILE 462 N -2.05 4.03 0.19 -0.61 1.01 0.12 -4.94 121.20 118.96 1dky s ILE 462 Ca 0.00 1.14 -0.32 0.00 0.00 0.00 0.00 60.65 61.47 1dky s ILE 462 Cb 0.00 -4.14 -0.12 0.00 0.01 0.00 0.00 42.46 38.21 1dky s ILE 462 CO 0.00 -0.55 1.75 0.59 0.00 0.00 0.00 174.94 176.73 1dky n ASN 463 N 8.05 4.01 -3.96 3.58 3.02 -1.26 -4.28 115.26 124.42 1dky n ASN 463 Ca 0.16 1.05 -0.49 0.00 -0.03 0.00 0.00 54.58 55.26 1dky n ASN 463 Cb 0.47 -1.57 -0.06 0.00 -0.61 0.00 0.00 39.78 38.01 1dky n ASN 463 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1dky n PRO 464 N 4.26 0.00 -3.52 3.52 -0.02 -1.26 -4.96 135.00 133.02 1dky n PRO 464 Ca 0.16 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.53 1dky n PRO 464 Cb 0.35 -1.18 -0.02 0.00 -0.02 0.00 0.00 33.50 32.63 1dky n PRO 464 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dky s ALA 465 N -0.30 -1.48 0.29 3.55 0.00 -1.26 -4.93 121.76 117.64 1dky s ALA 465 Ca 0.73 0.30 -0.30 0.00 0.00 0.00 0.00 51.96 52.69 1dky s ALA 465 Cb -1.02 0.87 -0.11 0.00 0.00 0.00 0.00 23.12 22.86 1dky s ALA 465 CO 0.50 -0.81 1.55 -2.14 0.00 0.00 0.00 175.76 174.86 1dky s PRO 466 N -3.79 4.15 0.30 0.00 0.02 -1.26 0.36 135.00 134.78 1dky s PRO 466 Ca 0.03 2.52 -0.29 0.00 0.02 0.00 0.00 61.00 63.28 1dky s PRO 466 Cb -0.02 -3.04 -0.13 0.00 0.02 0.00 0.00 34.50 31.33 1dky s PRO 466 CO -0.09 -0.57 1.18 0.54 -0.33 0.00 0.00 177.00 177.73 1dky n ARG 467 N 2.03 1.73 -0.48 5.54 5.12 -1.26 -2.12 116.66 127.24 1dky n ARG 467 Ca 0.07 0.61 0.00 0.00 -1.93 0.00 0.00 57.85 56.60 1dky n ARG 467 Cb 0.38 -2.11 0.00 0.00 -1.16 0.00 0.00 32.46 29.57 1dky n ARG 467 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1dky n GLY 468 N 1.22 0.84 0.08 -0.13 0.00 -1.10 -4.93 105.19 101.18 1dky n GLY 468 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 1dky n GLY 468 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1dky n MET 469 N -2.00 1.20 -2.14 1.61 2.00 -0.90 -4.87 117.12 112.02 1dky n MET 469 Ca 0.00 0.01 -0.35 0.00 0.00 0.00 0.00 57.70 57.36 1dky n MET 469 Cb 0.00 -1.43 0.01 0.00 0.00 0.00 0.00 33.22 31.81 1dky n MET 469 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 1dky s PRO 470 N -2.40 3.21 -0.23 0.03 0.02 -1.26 -5.00 135.00 129.37 1dky s PRO 470 Ca -0.10 1.60 -0.04 0.00 0.02 0.00 0.00 61.00 62.48 1dky s PRO 470 Cb 0.05 -1.99 -0.00 0.00 0.02 0.00 0.00 34.50 32.58 1dky s PRO 470 CO 0.66 -0.96 -0.04 -0.65 -0.33 0.00 0.00 177.00 175.68 1dky s GLN 471 N -3.43 3.26 -0.09 5.54 -0.21 -1.26 -4.30 119.66 119.17 1dky s GLN 471 Ca 0.72 -0.70 0.02 0.00 0.02 0.00 0.00 55.36 55.42 1dky s GLN 471 Cb -0.24 -3.02 0.01 0.00 1.00 0.00 0.00 33.01 30.76 1dky s GLN 471 CO 0.30 -0.25 -0.16 0.42 -2.12 0.00 0.00 175.29 173.48 1dky s ILE 472 N 1.45 1.50 -0.21 1.08 -1.09 0.59 -1.13 121.20 123.39 1dky s ILE 472 Ca 0.05 -0.67 -0.07 0.00 -2.23 0.00 0.00 60.65 57.73 1dky s ILE 472 Cb -0.15 -1.35 -0.03 0.00 -1.58 0.00 0.00 42.46 39.35 1dky s ILE 472 CO -0.03 0.44 0.04 -0.70 -1.23 0.00 0.00 174.94 173.46 1dky s GLU 473 N 0.74 3.75 -0.16 2.79 2.12 -0.88 0.72 118.70 127.78 1dky s GLU 473 Ca -0.12 -0.45 -0.05 0.00 0.36 0.00 0.00 54.97 54.71 1dky s GLU 473 Cb -0.16 -3.20 -0.03 0.00 0.26 0.00 0.00 34.13 31.00 1dky s GLU 473 CO 0.02 0.05 0.02 0.08 -0.54 0.00 0.00 175.26 174.89 1dky s VAL 474 N 0.96 4.39 -0.20 3.70 1.01 -0.79 -0.38 120.40 129.09 1dky s VAL 474 Ca 0.03 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1dky s VAL 474 Cb -0.14 -2.94 0.04 0.00 0.00 0.00 0.00 36.38 33.34 1dky s VAL 474 CO 0.02 0.50 -0.10 -0.89 0.00 0.00 0.00 175.10 174.63 1dky s THR 475 N 0.16 1.62 -0.22 3.92 2.01 0.92 -2.06 115.64 121.98 1dky s THR 475 Ca 0.02 -0.98 -0.13 0.00 0.31 0.00 0.00 61.69 60.91 1dky s THR 475 Cb -0.13 -1.70 -0.05 0.00 0.01 0.00 0.00 72.50 70.64 1dky s THR 475 CO 0.02 0.18 0.25 -0.36 -0.69 0.00 0.00 174.62 174.01 1dky s PHE 476 N 1.41 3.34 -0.14 4.92 0.40 -0.00 -1.56 117.98 126.35 1dky s PHE 476 Ca -0.01 0.38 -0.02 0.00 -0.60 0.00 0.00 56.93 56.68 1dky s PHE 476 Cb -0.16 -2.36 0.04 0.00 0.51 0.00 0.00 43.02 41.05 1dky s PHE 476 CO -0.08 0.04 0.00 0.34 0.70 0.00 0.00 175.22 176.22 1dky s ASP 477 N 1.04 2.34 -0.23 1.36 -1.08 -0.43 -1.04 116.67 118.62 1dky s ASP 477 Ca 0.12 -0.48 0.00 0.00 -0.52 0.00 0.00 52.55 51.67 1dky s ASP 477 Cb -0.14 -0.60 0.03 0.00 -1.46 0.00 0.00 42.92 40.75 1dky s ASP 477 CO 0.06 -0.23 -0.12 -0.63 0.52 0.00 0.00 175.17 174.77 1dky s ILE 478 N 1.86 2.48 0.91 4.11 1.01 -0.50 0.70 121.20 131.76 1dky s ILE 478 Ca 0.02 -1.10 -0.15 0.00 0.00 0.00 0.00 60.65 59.42 1dky s ILE 478 Cb -0.15 -2.23 0.16 0.00 0.01 0.00 0.00 42.46 40.26 1dky s ILE 478 CO -0.07 0.27 1.27 1.51 0.00 0.00 0.00 174.94 177.93 1dky s ASP 479 N 1.27 3.61 0.42 3.58 1.47 -1.03 -1.92 116.67 124.06 1dky s ASP 479 Ca 0.00 0.45 0.15 0.00 1.18 0.00 0.00 52.55 54.33 1dky s ASP 479 Cb -0.16 -0.65 1.04 0.00 -0.34 0.00 0.00 42.92 42.81 1dky s ASP 479 CO -0.07 -2.44 1.91 0.00 0.68 0.00 0.00 175.17 175.24 1dky h ALA 480 N -1.44 2.10 0.00 2.11 0.00 -1.93 0.76 119.26 120.86 1dky h ALA 480 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1dky h ALA 480 Cb 1.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1dky h ALA 480 CO 0.48 -0.31 0.00 -0.25 0.00 0.00 0.00 179.25 179.16 1dky n ASP 481 N -4.49 0.23 -0.06 0.00 8.00 -1.26 -4.81 116.55 114.17 1dky n ASP 481 Ca 0.15 0.58 -0.01 0.00 0.71 0.00 0.00 54.79 56.22 1dky n ASP 481 Cb 0.54 -0.62 -0.00 0.00 -0.02 0.00 0.00 41.12 41.02 1dky n ASP 481 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dky n GLY 482 N -0.71 0.46 3.71 0.44 0.00 0.26 -4.73 105.19 104.63 1dky n GLY 482 Ca 0.01 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 1dky n GLY 482 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dky s ILE 483 N -2.02 5.01 -0.06 -0.61 1.01 -1.25 -3.79 121.20 119.48 1dky s ILE 483 Ca 0.00 1.55 -0.18 0.00 0.00 0.00 0.00 60.65 62.02 1dky s ILE 483 Cb 0.00 -4.09 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 1dky s ILE 483 CO 0.00 0.22 0.48 -0.22 0.00 0.00 0.00 174.94 175.43 1dky s LEU 484 N 0.91 4.36 -0.31 2.97 2.96 0.81 -2.47 118.68 127.91 1dky s LEU 484 Ca 0.40 0.93 0.03 0.00 -0.22 0.00 0.00 54.13 55.26 1dky s LEU 484 Cb -0.18 -2.71 0.09 0.00 0.50 0.00 0.00 46.19 43.88 1dky s LEU 484 CO 0.19 0.11 0.01 -1.00 -1.32 0.00 0.00 176.35 174.34 1dky s HIS 485 N -0.00 3.20 -0.42 5.38 3.76 0.22 -0.86 115.29 126.56 1dky s HIS 485 Ca 0.26 -2.53 -0.12 0.00 -0.15 0.00 0.00 55.06 52.53 1dky s HIS 485 Cb -0.16 -2.38 0.06 0.00 1.11 0.00 0.00 32.58 31.21 1dky s HIS 485 CO 0.12 -0.90 0.29 0.08 -0.85 0.00 0.00 174.74 173.48 1dky s VAL 486 N 1.11 4.65 0.18 -0.90 1.01 -0.86 -1.32 120.40 124.27 1dky s VAL 486 Ca 0.05 -1.14 0.09 0.00 0.00 0.00 0.00 61.98 60.98 1dky s VAL 486 Cb -0.19 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1dky s VAL 486 CO -0.09 -0.45 -0.10 -0.94 0.00 0.00 0.00 175.10 173.51 1dky s SER 487 N 2.09 4.23 -0.03 3.32 1.04 -0.60 -2.25 113.70 121.51 1dky s SER 487 Ca 0.03 -0.58 0.03 0.00 0.48 0.00 0.00 55.95 55.91 1dky s SER 487 Cb -0.22 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 65.19 1dky s SER 487 CO 0.05 0.11 -0.11 0.00 0.98 0.00 0.00 173.24 174.27 1dky s ALA 488 N -1.69 0.98 -0.05 5.32 0.00 -0.83 -0.06 121.76 125.43 1dky s ALA 488 Ca 0.25 -0.41 -0.02 0.00 0.00 0.00 0.00 51.96 51.78 1dky s ALA 488 Cb -0.09 -0.34 0.04 0.00 0.00 0.00 0.00 23.12 22.73 1dky s ALA 488 CO 0.15 0.17 0.10 0.21 0.00 0.00 0.00 175.76 176.39 1dky s LYS 489 N 0.12 -0.02 -0.49 0.00 2.20 0.48 -1.67 119.74 120.35 1dky s LYS 489 Ca -0.02 0.42 -0.26 0.00 -0.36 0.00 0.00 55.97 55.75 1dky s LYS 489 Cb -0.09 -0.38 -0.06 0.00 -1.51 0.00 0.00 37.83 35.80 1dky s LYS 489 CO 0.01 -0.29 2.33 0.34 -0.36 0.00 0.00 175.35 177.37 1dky s ASP 490 N 2.02 4.59 0.00 1.43 -1.08 -0.61 -2.07 116.67 120.95 1dky s ASP 490 Ca 0.02 1.03 0.00 0.00 -0.52 0.00 0.00 52.55 53.08 1dky s ASP 490 Cb -0.12 -2.50 0.00 0.00 -1.46 0.00 0.00 42.92 38.83 1dky s ASP 490 CO -0.04 -2.78 0.00 2.29 0.52 0.00 0.00 175.17 175.16 1dky n LYS 491 N 9.02 0.00 0.06 4.34 -0.00 -0.29 -1.40 118.16 129.89 1dky n LYS 491 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.65 1dky n LYS 491 Cb 0.54 -0.99 0.00 0.00 -0.00 0.00 0.00 35.03 34.58 1dky n LYS 491 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1dky n ASN 492 N -0.26 0.27 0.00 -5.58 2.04 -1.26 -4.83 115.26 105.64 1dky n ASN 492 Ca 0.00 0.21 0.06 0.00 -0.44 0.00 0.00 54.58 54.41 1dky n ASN 492 Cb 0.00 0.04 0.28 0.00 -2.53 0.00 0.00 39.78 37.57 1dky n ASN 492 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 1dky n SER 493 N -3.12 0.00 0.00 0.53 3.41 -1.17 -4.88 113.62 108.38 1dky n SER 493 Ca 0.00 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 1dky n SER 493 Cb 0.00 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 1dky n SER 493 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dky n GLY 494 N -0.19 2.82 3.50 5.00 0.00 -0.50 -5.00 105.19 110.83 1dky n GLY 494 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1dky n GLY 494 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1dky n LYS 495 N -1.96 0.04 -3.64 1.61 2.85 -1.26 -4.70 118.16 111.10 1dky n LYS 495 Ca 0.00 0.07 -0.05 0.00 -1.05 0.00 0.00 58.31 57.28 1dky n LYS 495 Cb 0.00 -1.99 -0.07 0.00 -0.65 0.00 0.00 35.03 32.32 1dky n LYS 495 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1dky s GLU 496 N -3.44 0.58 0.30 -1.58 2.12 -1.26 -1.57 118.70 113.86 1dky s GLU 496 Ca 0.64 1.03 0.09 0.00 0.36 0.00 0.00 54.97 57.09 1dky s GLU 496 Cb -0.28 0.14 -0.05 0.00 0.26 0.00 0.00 34.13 34.21 1dky s GLU 496 CO 0.60 -0.13 0.03 1.14 -0.54 0.00 0.00 175.26 176.36 1dky s GLN 497 N 1.59 2.25 0.03 4.30 1.03 -0.67 -4.96 119.66 123.22 1dky s GLN 497 Ca -0.09 -1.52 -0.02 0.00 0.04 0.00 0.00 55.36 53.76 1dky s GLN 497 Cb -0.05 -2.10 -0.02 0.00 0.03 0.00 0.00 33.01 30.86 1dky s GLN 497 CO -0.18 0.26 -0.00 0.15 -2.54 0.00 0.00 175.29 172.98 1dky s LYS 498 N -3.72 0.48 -0.04 9.60 1.02 -1.26 -1.97 119.74 123.86 1dky s LYS 498 Ca 0.33 -0.86 -0.06 0.00 0.02 0.00 0.00 55.97 55.41 1dky s LYS 498 Cb -0.04 0.17 0.01 0.00 -0.52 0.00 0.00 37.83 37.45 1dky s LYS 498 CO 0.20 -0.09 0.14 -1.50 -0.92 0.00 0.00 175.35 173.18 1dky s ILE 499 N -2.61 0.03 -0.11 2.17 2.07 -0.95 -5.01 121.20 116.78 1dky s ILE 499 Ca -0.05 -0.21 0.00 0.00 -1.41 0.00 0.00 60.65 58.98 1dky s ILE 499 Cb -0.01 -0.28 0.02 0.00 0.13 0.00 0.00 42.46 42.32 1dky s ILE 499 CO -0.05 -0.12 -0.10 -0.89 -1.91 0.00 0.00 174.94 171.87 1dky s THR 500 N -0.36 1.17 -0.19 4.00 2.01 -1.26 -2.03 115.64 118.98 1dky s THR 500 Ca -0.04 -0.40 -0.04 0.00 0.31 0.00 0.00 61.69 61.51 1dky s THR 500 Cb -0.03 -1.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.32 1dky s THR 500 CO 0.01 0.39 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.66 1dky s ILE 501 N 1.43 3.67 0.45 1.82 1.01 -0.04 -5.00 121.20 124.53 1dky s ILE 501 Ca 0.01 -0.41 -0.21 0.00 0.00 0.00 0.00 60.65 60.03 1dky s ILE 501 Cb -0.13 -2.64 -0.10 0.00 0.01 0.00 0.00 42.46 39.60 1dky s ILE 501 CO -0.06 0.44 1.00 -1.59 0.00 0.00 0.00 174.94 174.73 1dky s LYS 502 N 1.01 4.04 0.66 2.79 -2.85 -1.26 -0.14 119.74 123.99 1dky s LYS 502 Ca 0.01 1.26 0.32 0.00 -1.00 0.00 0.00 55.97 56.56 1dky s LYS 502 Cb -0.15 -2.18 1.75 0.00 -2.06 0.00 0.00 37.83 35.19 1dky s LYS 502 CO 0.01 -0.21 1.98 0.00 0.10 0.00 0.00 175.35 177.23 1dky h ALA 503 N 1.83 1.27 0.00 0.59 0.00 -1.85 0.32 119.26 121.42 1dky h ALA 503 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1dky h ALA 503 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1dky h ALA 503 CO 0.60 -0.27 0.00 -1.13 0.00 0.00 0.00 179.25 178.45 1dky n SER 504 N -2.89 0.00 -4.76 0.00 3.41 -1.26 -4.77 113.62 103.35 1dky n SER 504 Ca -0.02 0.37 -0.40 0.00 -0.26 0.00 0.00 58.87 58.56 1dky n SER 504 Cb 0.32 -0.45 -0.06 0.00 -0.26 0.00 0.00 64.21 63.76 1dky n SER 504 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1dky s SER 505 N -2.91 7.55 0.00 4.04 0.01 0.11 -4.94 113.70 117.57 1dky s SER 505 Ca 0.15 1.84 0.00 0.00 1.31 0.00 0.00 55.95 59.25 1dky s SER 505 Cb 0.17 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1dky s SER 505 CO 0.45 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.87 1dky n GLY 506 N 1.58 0.63 3.74 3.44 0.00 -1.26 -4.98 105.19 108.33 1dky n GLY 506 Ca -0.03 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 1dky n GLY 506 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dky s LEU 507 N 0.00 4.57 0.00 0.99 1.43 -1.26 -5.04 118.68 119.37 1dky s LEU 507 Ca 0.00 1.91 -0.18 0.00 -1.03 0.00 0.00 54.13 54.84 1dky s LEU 507 Cb 0.00 -3.60 0.26 0.00 0.03 0.00 0.00 46.19 42.87 1dky s LEU 507 CO 0.00 0.02 1.04 -0.46 0.23 0.00 0.00 176.35 177.17 1dky n ASN 508 N 2.10 -1.45 -0.09 2.29 0.23 -1.26 -4.63 115.26 112.45 1dky n ASN 508 Ca 0.00 -1.19 0.15 0.00 -0.53 0.00 0.00 54.58 53.02 1dky n ASN 508 Cb 0.48 -0.91 0.55 0.00 -2.08 0.00 0.00 39.78 37.83 1dky n ASN 508 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1dky h GLU 509 N 0.00 0.29 0.45 -3.83 5.08 -1.99 -0.67 114.58 113.91 1dky h GLU 509 Ca -0.37 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 1dky h GLU 509 Cb 1.11 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1dky h GLU 509 CO 0.25 0.19 -0.22 -0.44 -1.00 0.00 0.00 179.01 177.79 1dky h ASP 510 N 0.30 -0.51 -0.93 1.42 3.32 -2.01 -3.08 116.42 114.92 1dky h ASP 510 Ca 0.30 0.02 0.24 0.00 0.02 0.00 0.00 57.03 57.61 1dky h ASP 510 Cb 0.78 0.13 -0.06 0.00 0.22 0.00 0.00 39.33 40.40 1dky h ASP 510 CO -0.07 -0.29 0.63 -0.33 -1.72 0.00 0.00 179.24 177.46 1dky h GLU 511 N -0.76 0.26 -0.47 3.56 5.08 -1.82 -1.04 114.58 119.38 1dky h GLU 511 Ca -0.06 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1dky h GLU 511 Cb 0.46 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1dky h GLU 511 CO 0.10 0.17 0.15 0.82 -1.00 0.00 0.00 179.01 179.26 1dky h ILE 512 N 0.27 1.19 0.07 3.13 2.04 -1.10 0.15 117.51 123.26 1dky h ILE 512 Ca 0.48 -0.64 -0.27 0.00 1.00 0.00 0.00 64.86 65.43 1dky h ILE 512 Cb 1.43 0.67 0.03 0.00 -0.74 0.00 0.00 36.82 38.20 1dky h ILE 512 CO -0.14 0.24 -1.10 1.56 0.00 0.00 0.00 178.15 178.71 1dky h GLN 513 N 0.68 0.62 -0.59 2.37 4.20 -1.11 -2.04 115.11 119.24 1dky h GLN 513 Ca 0.16 -0.76 -0.04 0.00 0.06 0.00 0.00 58.65 58.07 1dky h GLN 513 Cb 0.19 0.24 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 1dky h GLN 513 CO -0.01 1.33 0.23 -0.22 -0.67 0.00 0.00 178.83 179.49 1dky h LYS 514 N 0.25 0.88 0.43 1.46 3.64 -1.19 0.16 116.57 122.21 1dky h LYS 514 Ca -0.16 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.05 1dky h LYS 514 Cb 1.77 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 33.43 1dky h LYS 514 CO 0.21 0.76 -0.40 1.98 -2.27 0.00 0.00 179.45 179.73 1dky h MET 515 N 0.81 -0.81 -0.88 1.90 4.05 -0.74 0.47 114.93 119.73 1dky h MET 515 Ca 0.19 0.06 0.12 0.00 -0.28 0.00 0.00 59.70 59.79 1dky h MET 515 Cb 0.22 0.18 -0.08 0.00 -0.80 0.00 0.00 31.60 31.12 1dky h MET 515 CO -0.01 -0.54 0.50 0.28 0.23 0.00 0.00 176.91 177.37 1dky h VAL 516 N -0.84 0.86 0.15 -5.77 2.07 -1.06 0.51 116.25 112.16 1dky h VAL 516 Ca -0.04 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1dky h VAL 516 Cb 0.74 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1dky h VAL 516 CO -0.05 0.15 -0.07 0.03 0.02 0.00 0.00 177.57 177.65 1dky h ARG 517 N 0.80 -0.19 -0.68 1.57 -0.00 -0.30 -2.77 114.38 112.81 1dky h ARG 517 Ca 0.44 0.01 0.07 0.00 -0.50 0.00 0.00 59.98 60.00 1dky h ARG 517 Cb 0.48 0.04 -0.04 0.00 0.00 0.00 0.00 29.97 30.45 1dky h ARG 517 CO -0.28 0.14 0.45 -0.44 0.00 0.00 0.00 179.97 179.83 1dky h ASP 518 N -0.54 0.59 -0.19 7.04 3.32 -0.55 0.63 116.42 126.71 1dky h ASP 518 Ca -0.02 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.09 1dky h ASP 518 Cb 0.42 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.79 1dky h ASP 518 CO 0.03 0.38 -0.19 0.00 -1.72 0.00 0.00 179.24 177.74 1dky h ALA 519 N 1.64 -0.08 -0.30 3.45 0.00 -0.79 0.04 119.26 123.21 1dky h ALA 519 Ca 0.29 0.07 -0.18 0.00 0.00 0.00 0.00 54.91 55.09 1dky h ALA 519 Cb 0.30 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1dky h ALA 519 CO -0.09 -0.63 -0.52 0.93 0.00 0.00 0.00 179.25 178.94 1dky h GLU 520 N -0.21 0.88 -0.85 0.00 5.08 -0.64 0.41 114.58 119.25 1dky h GLU 520 Ca 0.12 -0.54 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 1dky h GLU 520 Cb 0.39 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1dky h GLU 520 CO -0.32 1.18 0.51 0.00 -1.00 0.00 0.00 179.01 179.38 1dky h ALA 521 N 0.72 1.30 -0.01 3.43 0.00 0.37 -3.14 119.26 121.93 1dky h ALA 521 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1dky h ALA 521 Cb 1.13 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1dky h ALA 521 CO 0.12 0.60 -0.69 0.09 0.00 0.00 0.00 179.25 179.36 1dky n ASN 522 N -4.37 1.50 -0.08 0.00 3.02 -0.02 -4.73 115.26 110.58 1dky n ASN 522 Ca 0.09 -1.25 0.05 0.00 -0.03 0.00 0.00 54.58 53.44 1dky n ASN 522 Cb 0.06 0.72 0.09 0.00 -0.61 0.00 0.00 39.78 40.05 1dky n ASN 522 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dky n ALA 523 N -0.71 0.16 -0.03 5.41 0.00 0.14 0.36 120.51 125.84 1dky n ALA 523 Ca 0.07 0.25 -0.15 0.00 0.00 0.00 0.00 53.44 53.61 1dky n ALA 523 Cb 0.39 -0.21 -0.12 0.00 0.00 0.00 0.00 19.45 19.51 1dky n ALA 523 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1dky h GLU 524 N 0.00 0.10 -0.25 0.00 4.11 -1.86 -2.08 114.58 114.60 1dky h GLU 524 Ca 0.16 -0.12 0.06 0.00 0.07 0.00 0.00 59.36 59.54 1dky h GLU 524 Cb 0.38 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1dky h GLU 524 CO -0.21 0.92 0.18 0.00 0.07 0.00 0.00 179.01 179.97 1dky h ALA 525 N 0.19 2.18 -0.30 1.06 0.00 -0.44 0.34 119.26 122.29 1dky h ALA 525 Ca -0.02 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1dky h ALA 525 Cb 0.99 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1dky h ALA 525 CO 0.03 -0.24 -0.50 -0.44 0.00 0.00 0.00 179.25 178.10 1dky h ASP 526 N 0.05 0.93 -0.10 0.00 3.32 -1.10 -2.66 116.42 116.87 1dky h ASP 526 Ca 0.12 -0.47 -0.04 0.00 0.02 0.00 0.00 57.03 56.66 1dky h ASP 526 Cb 0.41 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1dky h ASP 526 CO -0.01 1.26 -0.03 0.03 -1.72 0.00 0.00 179.24 178.77 1dky h ARG 527 N 0.66 0.32 -0.60 3.56 -0.00 0.29 -0.77 114.38 117.84 1dky h ARG 527 Ca 0.03 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.98 59.37 1dky h ARG 527 Cb 1.09 -0.05 -0.02 0.00 0.00 0.00 0.00 29.97 30.98 1dky h ARG 527 CO 0.11 0.37 0.06 0.87 0.00 0.00 0.00 179.97 181.38 1dky h LYS 528 N 0.31 1.00 -0.27 0.04 1.57 -0.54 -1.86 116.57 116.82 1dky h LYS 528 Ca 0.07 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.53 1dky h LYS 528 Cb 0.26 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1dky h LYS 528 CO 0.01 0.94 -0.02 0.35 -0.57 0.00 0.00 179.45 180.16 1dky h PHE 529 N 0.93 0.54 0.53 -1.35 3.57 -0.95 -1.42 116.94 118.79 1dky h PHE 529 Ca 0.18 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1dky h PHE 529 Cb 0.46 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1dky h PHE 529 CO 0.03 0.66 -0.50 0.93 -2.23 0.00 0.00 178.31 177.21 1dky h GLU 530 N 0.26 -0.98 -0.23 1.11 3.07 -0.87 0.32 114.58 117.26 1dky h GLU 530 Ca 0.07 0.07 0.04 0.00 -0.50 0.00 0.00 59.36 59.04 1dky h GLU 530 Cb 0.46 0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 1dky h GLU 530 CO 0.02 -0.66 0.16 1.05 -1.40 0.00 0.00 179.01 178.18 1dky h GLU 531 N -1.02 0.15 0.47 2.33 4.11 -1.39 -1.54 114.58 117.69 1dky h GLU 531 Ca -0.07 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.33 1dky h GLU 531 Cb 0.88 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1dky h GLU 531 CO -0.04 0.10 -0.23 1.25 0.07 0.00 0.00 179.01 180.16 1dky h LEU 532 N 0.15 -0.54 -1.24 3.06 5.85 -0.51 -2.82 115.31 119.27 1dky h LEU 532 Ca 0.10 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1dky h LEU 532 Cb 0.21 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1dky h LEU 532 CO -0.02 -0.22 0.03 0.58 -0.34 0.00 0.00 178.44 178.48 1dky h VAL 533 N -0.88 1.19 -0.06 1.05 2.07 -0.55 0.27 116.25 119.35 1dky h VAL 533 Ca -0.06 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1dky h VAL 533 Cb 0.58 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1dky h VAL 533 CO 0.11 0.26 0.03 -0.61 0.02 0.00 0.00 177.57 177.38 1dky h GLN 534 N 0.53 0.07 -0.37 1.57 4.15 -1.32 0.28 115.11 120.03 1dky h GLN 534 Ca 0.12 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.50 1dky h GLN 534 Cb 0.30 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 1dky h GLN 534 CO 0.01 0.05 0.09 1.15 -1.93 0.00 0.00 178.83 178.20 1dky h THR 535 N 0.07 1.22 -0.15 2.39 2.02 -1.25 -0.36 112.91 116.85 1dky h THR 535 Ca 0.02 -0.76 0.02 0.00 0.77 0.00 0.00 66.41 66.47 1dky h THR 535 Cb -0.01 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1dky h THR 535 CO -0.01 0.26 0.01 -0.09 0.37 0.00 0.00 175.52 176.07 1dky h ARG 536 N 0.45 0.07 -0.30 6.66 2.43 -0.23 0.11 114.38 123.57 1dky h ARG 536 Ca 0.12 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1dky h ARG 536 Cb 0.30 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1dky h ARG 536 CO 0.00 0.05 0.03 -0.91 -1.51 0.00 0.00 179.97 177.62 1dky h ASN 537 N 0.07 0.40 1.17 -3.80 2.35 -0.26 0.55 115.58 116.07 1dky h ASN 537 Ca 0.07 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 1dky h ASN 537 Cb 0.07 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1dky h ASN 537 CO -0.11 0.45 -0.25 -0.61 -1.65 0.00 0.00 177.43 175.26 1dky h GLN 538 N 0.43 0.00 0.00 0.81 4.15 -0.25 -1.55 115.11 118.70 1dky h GLN 538 Ca 0.10 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.37 1dky h GLN 538 Cb 0.24 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 1dky h GLN 538 CO 0.00 0.25 -0.73 0.78 -1.93 0.00 0.00 178.83 177.21 1dky h GLY 539 N 2.60 0.00 0.63 2.39 0.00 0.13 -2.17 103.07 106.64 1dky h GLY 539 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1dky h GLY 539 CO 0.03 0.00 -0.09 -1.80 0.00 0.00 0.00 176.54 174.68 1dky h ASP 540 N 0.00 -0.21 -0.83 0.19 1.82 -0.63 -1.14 116.42 115.62 1dky h ASP 540 Ca -0.01 -0.26 0.18 0.00 -0.39 0.00 0.00 57.03 56.56 1dky h ASP 540 Cb 1.45 0.05 -0.06 0.00 0.68 0.00 0.00 39.33 41.46 1dky h ASP 540 CO 0.09 0.17 0.56 -0.74 -1.61 0.00 0.00 179.24 177.71 1dky h HIS 541 N -0.62 0.48 0.00 0.28 2.76 -1.21 -0.02 115.15 116.82 1dky h HIS 541 Ca -0.03 0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.04 1dky h HIS 541 Cb 0.45 -0.15 0.01 0.00 1.55 0.00 0.00 27.41 29.28 1dky h HIS 541 CO 0.04 0.15 -0.45 1.25 -1.30 0.00 0.00 177.93 177.62 1dky h LEU 542 N 0.38 0.39 -0.73 0.26 5.85 -1.21 -1.74 115.31 118.52 1dky h LEU 542 Ca 0.42 -0.77 0.15 0.00 0.84 0.00 0.00 57.88 58.52 1dky h LEU 542 Cb 1.07 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.88 1dky h LEU 542 CO -0.14 1.12 0.23 -0.07 -0.34 0.00 0.00 178.44 179.23 1dky h LEU 543 N -0.29 0.13 0.07 2.25 4.07 0.28 0.54 115.31 122.37 1dky h LEU 543 Ca -0.06 0.13 -0.00 0.00 0.08 0.00 0.00 57.88 58.03 1dky h LEU 543 Cb 1.19 0.15 0.00 0.00 1.08 0.00 0.00 40.66 43.07 1dky h LEU 543 CO 0.09 0.03 -0.04 1.12 -1.08 0.00 0.00 178.44 178.56 1dky h HIS 544 N 0.34 -0.09 -0.78 1.13 -0.00 -1.45 -0.68 115.15 113.62 1dky h HIS 544 Ca 0.41 -0.00 0.15 0.00 -0.00 0.00 0.00 60.37 60.93 1dky h HIS 544 Cb 0.66 0.03 -0.15 0.00 -0.00 0.00 0.00 27.41 27.96 1dky h HIS 544 CO -0.22 0.47 -0.24 0.77 -0.00 0.00 0.00 177.93 178.71 1dky h SER 545 N -0.78 -0.87 0.52 3.10 0.02 -0.71 0.58 113.55 115.42 1dky h SER 545 Ca -0.01 0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1dky h SER 545 Cb 0.60 0.53 0.01 0.00 0.14 0.00 0.00 62.40 63.68 1dky h SER 545 CO 0.02 -0.27 -0.25 0.74 -1.14 0.00 0.00 176.83 175.93 1dky h THR 546 N -0.03 0.41 -0.60 -2.27 2.02 -0.97 -0.25 112.91 111.22 1dky h THR 546 Ca 0.35 -0.33 0.12 0.00 0.77 0.00 0.00 66.41 67.32 1dky h THR 546 Cb 0.58 0.53 -0.11 0.00 -1.74 0.00 0.00 68.15 67.41 1dky h THR 546 CO -0.81 0.05 -0.18 0.03 0.37 0.00 0.00 175.52 174.98 1dky h ARG 547 N -0.92 -0.03 -0.38 6.66 3.08 0.52 0.54 114.38 123.85 1dky h ARG 547 Ca -0.07 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 1dky h ARG 547 Cb 0.61 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1dky h ARG 547 CO 0.12 -0.02 0.00 0.87 -1.07 0.00 0.00 179.97 179.87 1dky h LYS 548 N -0.03 0.66 -0.33 0.04 1.57 -0.98 -2.19 116.57 115.32 1dky h LYS 548 Ca 0.28 -0.21 0.09 0.00 -1.87 0.00 0.00 60.65 58.95 1dky h LYS 548 Cb 0.47 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1dky h LYS 548 CO -0.63 0.76 0.49 -0.56 -0.57 0.00 0.00 179.45 178.94 1dky h GLN 549 N 0.48 0.00 -0.09 3.15 3.07 0.95 0.21 115.11 122.87 1dky h GLN 549 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.84 1dky h GLN 549 Cb 0.46 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.02 1dky h GLN 549 CO 0.02 0.00 0.02 -0.24 0.09 0.00 0.00 178.83 178.72 1dky h VAL 550 N 0.00 1.19 -0.18 1.86 3.04 -0.61 -3.03 116.25 118.52 1dky h VAL 550 Ca 0.15 -0.60 0.01 0.00 -1.01 0.00 0.00 66.70 65.25 1dky h VAL 550 Cb 1.12 1.42 -0.01 0.00 -2.01 0.00 0.00 31.29 31.81 1dky h VAL 550 CO -0.00 0.17 0.11 -0.33 -1.01 0.00 0.00 177.57 176.51 1dky h GLU 551 N -0.06 0.22 0.00 4.17 5.08 -0.69 0.38 114.58 123.68 1dky h GLU 551 Ca 0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1dky h GLU 551 Cb 0.25 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1dky h GLU 551 CO 0.00 0.14 0.17 0.39 -1.00 0.00 0.00 179.01 178.71 1dky n GLU 552 N -4.98 0.00 -2.71 2.33 -0.58 -0.99 -1.60 120.64 112.11 1dky n GLU 552 Ca -0.03 0.24 -0.07 0.00 -0.42 0.00 0.00 57.16 56.88 1dky n GLU 552 Cb 0.04 -1.67 0.09 0.00 -0.57 0.00 0.00 31.44 29.33 1dky n GLU 552 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1dky n ALA 553 N -1.21 -1.66 -0.48 0.62 0.00 -0.72 -5.05 120.51 112.01 1dky n ALA 553 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.34 1dky n ALA 553 Cb 0.17 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1dky n ALA 553 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dky n GLY 554 N 0.59 -2.66 0.27 0.00 0.00 0.05 -2.84 105.19 100.58 1dky n GLY 554 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.19 1dky n GLY 554 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dky h ASP 555 N 0.00 0.00 0.27 1.61 5.19 -1.88 -2.04 116.42 119.57 1dky h ASP 555 Ca 0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1dky h ASP 555 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 1dky h ASP 555 CO 0.00 0.10 -0.01 0.11 -3.12 0.00 0.00 179.24 176.32 1dky h LYS 556 N 0.00 0.00 -4.77 3.56 1.57 -1.93 -3.39 116.57 111.61 1dky h LYS 556 Ca -0.00 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 58.08 1dky h LYS 556 Cb 0.44 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.56 1dky h LYS 556 CO 0.01 0.01 -0.04 -1.17 -0.57 0.00 0.00 179.45 177.69 1dky s LEU 557 N -6.32 5.18 0.15 2.94 2.96 -0.77 -5.04 118.68 117.78 1dky s LEU 557 Ca -0.03 -1.07 -0.32 0.00 -0.22 0.00 0.00 54.13 52.49 1dky s LEU 557 Cb 0.12 -2.37 -0.12 0.00 0.50 0.00 0.00 46.19 44.32 1dky s LEU 557 CO 0.46 -0.85 1.74 -2.65 -1.32 0.00 0.00 176.35 173.74 1dky n PRO 558 N 5.93 2.59 0.00 0.98 -0.02 -1.26 -4.53 135.00 138.70 1dky n PRO 558 Ca -0.08 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1dky n PRO 558 Cb 0.45 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 1dky n PRO 558 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dky n ALA 559 N 4.63 0.00 -0.56 3.55 0.00 -1.26 -2.24 120.51 124.62 1dky n ALA 559 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.39 1dky n ALA 559 Cb 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.76 1dky n ALA 559 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1dky n ASP 560 N 0.00 2.49 0.12 0.00 5.75 -1.26 0.14 116.55 123.79 1dky n ASP 560 Ca 0.00 -2.32 0.00 0.00 -0.01 0.00 0.00 54.79 52.46 1dky n ASP 560 Cb 0.00 -0.84 0.00 0.00 -1.03 0.00 0.00 41.12 39.25 1dky n ASP 560 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1dky n ASP 561 N 5.69 -2.22 0.14 -1.12 2.03 -1.02 -4.67 116.55 115.38 1dky n ASP 561 Ca 0.32 0.55 0.03 0.00 0.52 0.00 0.00 54.79 56.21 1dky n ASP 561 Cb 0.18 2.26 0.42 0.00 -0.72 0.00 0.00 41.12 43.26 1dky n ASP 561 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1dky h LYS 562 N 0.00 0.18 0.15 -0.67 3.64 0.75 0.37 116.57 120.99 1dky h LYS 562 Ca 0.00 -0.04 -0.31 0.00 -1.27 0.00 0.00 60.65 59.03 1dky h LYS 562 Cb 0.00 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1dky h LYS 562 CO 0.00 0.33 -1.50 1.15 -2.27 0.00 0.00 179.45 177.16 1dky h THR 563 N 0.18 1.20 0.00 1.00 2.02 0.10 -2.72 112.91 114.70 1dky h THR 563 Ca 0.04 -2.80 -0.02 0.00 0.77 0.00 0.00 66.41 64.40 1dky h THR 563 Cb 0.35 2.83 -0.00 0.00 -1.74 0.00 0.00 68.15 69.59 1dky h THR 563 CO 0.02 0.84 -0.11 0.00 0.37 0.00 0.00 175.52 176.64 1dky h ALA 564 N 0.42 1.36 0.00 6.16 0.00 -1.33 -2.79 119.26 123.08 1dky h ALA 564 Ca -0.24 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1dky h ALA 564 Cb 2.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1dky h ALA 564 CO 0.19 0.13 -0.01 0.82 0.00 0.00 0.00 179.25 180.37 1dky h ILE 565 N 0.00 0.00 -1.87 0.00 2.04 -0.32 -3.23 117.51 114.12 1dky h ILE 565 Ca -0.00 -0.42 0.56 0.00 1.00 0.00 0.00 64.86 66.00 1dky h ILE 565 Cb 0.28 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.27 1dky h ILE 565 CO 0.01 0.00 1.32 -0.62 0.00 0.00 0.00 178.15 178.87 1dky n GLU 566 N -3.18 -0.01 0.16 2.37 1.02 -1.03 -0.82 120.64 119.15 1dky n GLU 566 Ca -0.00 1.13 -0.11 0.00 -0.02 0.00 0.00 57.16 58.16 1dky n GLU 566 Cb 0.01 -2.51 -0.06 0.00 -0.02 0.00 0.00 31.44 28.85 1dky n GLU 566 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1dky h SER 567 N 0.00 -0.39 -0.75 1.62 4.64 -1.62 -3.03 113.55 114.03 1dky h SER 567 Ca 0.94 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 62.10 1dky h SER 567 Cb 3.61 0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 65.77 1dky h SER 567 CO -0.11 0.06 0.40 0.00 -0.87 0.00 0.00 176.83 176.31 1dky h ALA 568 N -0.69 0.96 -0.98 5.18 0.00 -0.99 -1.73 119.26 121.01 1dky h ALA 568 Ca -0.05 -0.13 0.19 0.00 0.00 0.00 0.00 54.91 54.92 1dky h ALA 568 Cb 0.51 -0.30 -0.11 0.00 0.00 0.00 0.00 17.79 17.89 1dky h ALA 568 CO 0.08 0.49 0.58 -0.07 0.00 0.00 0.00 179.25 180.33 1dky h LEU 569 N 1.04 0.74 -0.36 0.00 3.38 -1.48 1.26 115.31 119.90 1dky h LEU 569 Ca 0.26 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1dky h LEU 569 Cb 0.06 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1dky h LEU 569 CO -0.04 0.26 0.20 0.71 0.09 0.00 0.00 178.44 179.65 1dky h THR 570 N 0.73 1.14 0.08 0.22 1.35 -1.20 -2.49 112.91 112.75 1dky h THR 570 Ca 0.56 -0.37 0.01 0.00 -0.55 0.00 0.00 66.41 66.06 1dky h THR 570 Cb 0.87 0.74 -0.02 0.00 -1.73 0.00 0.00 68.15 68.01 1dky h THR 570 CO -0.39 0.15 -0.12 0.00 -0.25 0.00 0.00 175.52 174.91 1dky h ALA 571 N 1.06 -0.20 0.30 6.62 0.00 0.20 -2.88 119.26 124.35 1dky h ALA 571 Ca 0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1dky h ALA 571 Cb 0.06 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1dky h ALA 571 CO -0.02 -0.64 -0.26 1.25 0.00 0.00 0.00 179.25 179.58 1dky h LEU 572 N -0.25 -0.68 -0.92 0.00 5.85 -0.23 -1.80 115.31 117.29 1dky h LEU 572 Ca 0.02 0.06 0.19 0.00 0.84 0.00 0.00 57.88 58.99 1dky h LEU 572 Cb 0.26 0.23 -0.11 0.00 0.37 0.00 0.00 40.66 41.40 1dky h LEU 572 CO -0.06 -0.38 0.48 1.05 -0.34 0.00 0.00 178.44 179.18 1dky h GLU 573 N -0.57 0.56 -0.46 1.25 4.11 -1.43 0.66 114.58 118.70 1dky h GLU 573 Ca -0.02 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 1dky h GLU 573 Cb 0.51 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1dky h GLU 573 CO -0.03 0.37 0.23 1.79 0.07 0.00 0.00 179.01 181.44 1dky h THR 574 N 0.57 1.18 -0.97 -1.06 1.35 -1.25 -2.22 112.91 110.51 1dky h THR 574 Ca 0.54 -0.49 0.02 0.00 -0.55 0.00 0.00 66.41 65.93 1dky h THR 574 Cb 0.91 0.65 -0.05 0.00 -1.73 0.00 0.00 68.15 67.93 1dky h THR 574 CO -0.44 0.19 0.64 0.00 -0.25 0.00 0.00 175.52 175.67 1dky h ALA 575 N 1.08 1.32 -0.52 6.62 0.00 0.10 -1.34 119.26 126.52 1dky h ALA 575 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1dky h ALA 575 Cb 0.09 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1dky h ALA 575 CO -0.02 0.62 0.34 -0.07 0.00 0.00 0.00 179.25 180.11 1dky h LEU 576 N 1.29 0.60 -1.77 0.00 3.38 -0.14 0.48 115.31 119.15 1dky h LEU 576 Ca 0.36 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.28 1dky h LEU 576 Cb -0.12 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 1dky h LEU 576 CO -0.09 0.44 -0.16 0.11 0.09 0.00 0.00 178.44 178.84 1dky h LYS 577 N 0.71 0.00 0.00 1.13 1.57 -0.76 -3.43 116.57 115.79 1dky h LYS 577 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1dky h LYS 577 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1dky h LYS 577 CO -0.04 0.16 0.00 0.41 -0.57 0.00 0.00 179.45 179.41 1dky n GLY 578 N -0.68 -1.47 0.83 3.86 0.00 0.17 -5.04 105.19 102.86 1dky n GLY 578 Ca -0.02 -1.57 0.01 0.00 0.00 0.00 0.00 46.02 44.45 1dky n GLY 578 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dky n GLU 579 N -0.65 0.00 -3.32 1.61 1.02 -1.26 -5.02 120.64 113.01 1dky n GLU 579 Ca 0.00 -1.30 -0.44 0.00 -0.02 0.00 0.00 57.16 55.40 1dky n GLU 579 Cb 0.00 -0.31 -0.08 0.00 -0.02 0.00 0.00 31.44 31.03 1dky n GLU 579 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1dky s ASP 580 N -1.30 6.17 0.14 1.62 -1.08 -1.26 -4.92 116.67 116.04 1dky s ASP 580 Ca 0.11 -1.06 -0.17 0.00 -0.52 0.00 0.00 52.55 50.91 1dky s ASP 580 Cb 0.13 -2.22 0.01 0.00 -1.46 0.00 0.00 42.92 39.38 1dky s ASP 580 CO -0.06 -0.68 1.78 0.50 0.52 0.00 0.00 175.17 177.23 1dky h LYS 581 N 8.80 0.33 -0.89 4.34 3.64 -1.95 0.53 116.57 131.37 1dky h LYS 581 Ca -0.28 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.18 1dky h LYS 581 Cb 1.11 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.78 1dky h LYS 581 CO 0.87 0.22 0.53 0.00 -2.27 0.00 0.00 179.45 178.81 1dky h ALA 582 N 1.16 1.28 -0.20 5.00 0.00 -1.99 -0.65 119.26 123.85 1dky h ALA 582 Ca 0.13 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 1dky h ALA 582 Cb 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1dky h ALA 582 CO -0.08 0.19 -0.49 0.00 0.00 0.00 0.00 179.25 178.87 1dky h ALA 583 N 1.47 0.33 -0.25 0.00 0.00 -1.81 -2.91 119.26 116.09 1dky h ALA 583 Ca 0.42 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1dky h ALA 583 Cb 0.35 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1dky h ALA 583 CO -0.23 0.50 0.14 0.82 0.00 0.00 0.00 179.25 180.47 1dky h ILE 584 N 0.39 1.12 0.00 0.00 2.04 -0.19 -0.86 117.51 120.00 1dky h ILE 584 Ca -0.00 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1dky h ILE 584 Cb 1.10 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1dky h ILE 584 CO 0.11 0.11 -0.02 -0.33 0.00 0.00 0.00 178.15 178.03 1dky h GLU 585 N 0.30 0.00 0.02 2.37 5.08 -1.20 -0.01 114.58 121.14 1dky h GLU 585 Ca 0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1dky h GLU 585 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1dky h GLU 585 CO -0.01 0.02 -0.01 0.00 -1.00 0.00 0.00 179.01 178.00 1dky h ALA 586 N 1.98 -0.03 0.00 3.43 0.00 -1.08 -1.98 119.26 121.59 1dky h ALA 586 Ca -0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1dky h ALA 586 Cb 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1dky h ALA 586 CO 0.00 -0.08 -0.19 0.87 0.00 0.00 0.00 179.25 179.86 1dky h LYS 587 N -0.91 0.00 -0.05 0.00 1.79 -0.83 0.17 116.57 116.74 1dky h LYS 587 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1dky h LYS 587 Cb 0.73 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.38 1dky h LYS 587 CO 0.01 0.19 -0.00 0.52 -1.08 0.00 0.00 179.45 179.08 1dky h MET 588 N 0.00 0.09 -0.49 3.15 2.86 -1.06 -2.80 114.93 116.68 1dky h MET 588 Ca -0.00 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.66 1dky h MET 588 Cb 0.45 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.06 1dky h MET 588 CO 0.02 0.38 0.23 0.37 1.06 0.00 0.00 176.91 178.97 1dky h GLN 589 N -0.21 0.44 -0.90 1.72 4.15 -0.39 -1.03 115.11 118.89 1dky h GLN 589 Ca 0.01 -0.03 0.17 0.00 0.77 0.00 0.00 58.65 59.58 1dky h GLN 589 Cb 0.34 -0.10 -0.10 0.00 0.21 0.00 0.00 27.48 27.83 1dky h GLN 589 CO 0.00 0.29 0.48 0.93 -1.93 0.00 0.00 178.83 178.60 1dky h GLU 590 N 0.45 0.61 -0.01 1.69 5.08 -0.62 -3.51 114.58 118.26 1dky h GLU 590 Ca 0.22 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1dky h GLU 590 Cb 0.15 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1dky h GLU 590 CO -0.17 0.40 0.00 1.28 -1.00 0.00 0.00 179.01 179.52