#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dkz h LEU 390 N 0.00 0.20 -8.77 1.34 6.46 -2.11 -3.47 115.31 108.95 1dkz h LEU 390 Ca 0.00 -0.23 -0.32 0.00 -0.12 0.00 0.00 57.88 57.21 1dkz h LEU 390 Cb 0.00 -0.06 -0.15 0.00 -0.73 0.00 0.00 40.66 39.72 1dkz h LEU 390 CO 0.00 1.18 -0.60 -0.76 -0.62 0.00 0.00 178.44 177.64 1dkz s LEU 391 N -6.86 1.44 -0.06 2.25 1.43 -1.26 -5.17 118.68 110.45 1dkz s LEU 391 Ca -0.02 -1.44 -0.04 0.00 -1.03 0.00 0.00 54.13 51.60 1dkz s LEU 391 Cb 0.08 0.24 0.03 0.00 0.03 0.00 0.00 46.19 46.57 1dkz s LEU 391 CO 0.85 -0.83 0.15 -0.76 0.23 0.00 0.00 176.35 175.99 1dkz s LEU 392 N -3.26 1.09 -0.28 1.79 1.43 -1.26 -5.12 118.68 113.07 1dkz s LEU 392 Ca 0.38 0.30 -0.25 0.00 -1.03 0.00 0.00 54.13 53.53 1dkz s LEU 392 Cb 0.07 0.43 0.00 0.00 0.03 0.00 0.00 46.19 46.72 1dkz s LEU 392 CO 0.14 -0.10 0.85 -1.81 0.23 0.00 0.00 176.35 175.67 1dkz s ASP 393 N 0.62 6.78 0.12 2.29 1.11 -1.26 -5.03 116.67 121.30 1dkz s ASP 393 Ca -0.05 0.89 0.04 0.00 0.18 0.00 0.00 52.55 53.61 1dkz s ASP 393 Cb -0.06 -2.44 -0.04 0.00 1.07 0.00 0.00 42.92 41.45 1dkz s ASP 393 CO -0.03 -0.62 -0.10 0.68 1.18 0.00 0.00 175.17 176.29 1dkz s VAL 394 N 3.02 1.02 -0.28 -1.27 -7.23 -1.26 -1.91 120.40 112.50 1dkz s VAL 394 Ca 0.36 -1.85 -0.26 0.00 -1.81 0.00 0.00 61.98 58.41 1dkz s VAL 394 Cb -0.14 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.19 1dkz s VAL 394 CO 0.11 -0.67 0.90 0.42 -0.31 0.00 0.00 175.10 175.55 1dkz s THR 395 N -2.94 4.73 0.28 5.32 -4.23 0.44 -4.92 115.64 114.33 1dkz s THR 395 Ca 0.11 1.56 0.01 0.00 -1.18 0.00 0.00 61.69 62.19 1dkz s THR 395 Cb 0.00 -4.22 0.10 0.00 1.34 0.00 0.00 72.50 69.72 1dkz s THR 395 CO -0.00 -0.23 1.76 1.55 -0.54 0.00 0.00 174.62 177.16 1dkz h PRO 396 N 7.86 0.62 -5.18 3.99 0.13 -1.94 0.57 132.00 138.04 1dkz h PRO 396 Ca -0.22 -0.19 -0.39 0.00 -0.87 0.00 0.00 66.00 64.33 1dkz h PRO 396 Cb 1.08 -0.06 -0.14 0.00 0.13 0.00 0.00 31.00 32.01 1dkz h PRO 396 CO 0.93 0.71 -0.68 -0.51 -0.23 0.00 0.00 178.00 178.23 1dkz s LEU 397 N -8.94 2.33 0.56 1.56 1.43 -1.26 -4.40 118.68 109.97 1dkz s LEU 397 Ca -0.08 -1.16 -0.19 0.00 -1.03 0.00 0.00 54.13 51.67 1dkz s LEU 397 Cb 0.14 -0.37 -0.05 0.00 0.03 0.00 0.00 46.19 45.94 1dkz s LEU 397 CO 0.79 -0.43 1.15 -0.44 0.23 0.00 0.00 176.35 177.66 1dkz s SER 398 N -3.30 5.54 -0.05 2.29 0.01 -1.24 -4.40 113.70 112.56 1dkz s SER 398 Ca 0.26 2.24 0.04 0.00 1.31 0.00 0.00 55.95 59.80 1dkz s SER 398 Cb 0.04 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.68 1dkz s SER 398 CO 0.07 -1.34 -0.18 -0.76 0.41 0.00 0.00 173.24 171.44 1dkz s LEU 399 N -3.91 1.93 0.00 2.44 1.43 0.31 -0.93 118.68 119.96 1dkz s LEU 399 Ca 0.74 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 1dkz s LEU 399 Cb -0.26 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 44.93 1dkz s LEU 399 CO 0.29 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.64 1dkz n GLY 400 N 3.16 1.79 3.33 -3.19 0.00 -0.26 -0.09 105.19 109.92 1dkz n GLY 400 Ca -0.18 -0.67 -0.17 0.00 0.00 0.00 0.00 46.02 44.99 1dkz n GLY 400 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1dkz s ILE 401 N -2.47 0.85 -0.12 -0.61 -4.36 0.73 -0.09 121.20 115.12 1dkz s ILE 401 Ca 0.00 -2.01 -0.22 0.00 -0.26 0.00 0.00 60.65 58.16 1dkz s ILE 401 Cb 0.00 -2.50 -0.03 0.00 1.25 0.00 0.00 42.46 41.18 1dkz s ILE 401 CO 0.00 -0.17 0.65 -0.70 0.24 0.00 0.00 174.94 174.96 1dkz s GLU 402 N -3.94 4.34 0.37 0.37 2.12 -0.89 -0.09 118.70 120.99 1dkz s GLU 402 Ca 0.33 0.74 0.08 0.00 0.36 0.00 0.00 54.97 56.48 1dkz s GLU 402 Cb 0.07 -3.49 -0.05 0.00 0.26 0.00 0.00 34.13 30.92 1dkz s GLU 402 CO 0.11 -0.04 0.12 0.95 -0.54 0.00 0.00 175.26 175.86 1dkz s THR 403 N 1.20 2.58 -0.11 -1.70 -4.23 -0.51 -4.73 115.64 108.15 1dkz s THR 403 Ca 0.33 -1.78 -0.40 0.00 -1.18 0.00 0.00 61.69 58.66 1dkz s THR 403 Cb -0.17 -2.93 -0.17 0.00 1.34 0.00 0.00 72.50 70.57 1dkz s THR 403 CO 0.14 -0.11 1.45 0.80 -0.54 0.00 0.00 174.62 176.36 1dkz n MET 404 N -1.13 0.80 0.00 3.99 1.56 -1.26 -1.71 117.12 119.37 1dkz n MET 404 Ca -0.03 0.29 0.00 0.00 -0.27 0.00 0.00 57.70 57.69 1dkz n MET 404 Cb 0.63 -1.90 0.00 0.00 2.15 0.00 0.00 33.22 34.10 1dkz n MET 404 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1dkz n GLY 405 N 3.03 0.71 2.39 -5.12 0.00 -1.26 -4.55 105.19 100.39 1dkz n GLY 405 Ca 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 1dkz n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dkz n GLY 406 N -1.13 0.02 3.71 -0.02 0.00 -0.69 -4.96 105.19 102.13 1dkz n GLY 406 Ca 0.00 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 1dkz n GLY 406 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dkz s VAL 407 N -2.82 4.23 -0.14 1.61 0.11 -1.09 -1.23 120.40 121.06 1dkz s VAL 407 Ca 0.14 -0.77 -0.22 0.00 -2.93 0.00 0.00 61.98 58.19 1dkz s VAL 407 Cb -0.06 -2.97 -0.03 0.00 -1.53 0.00 0.00 36.38 31.79 1dkz s VAL 407 CO 0.17 0.22 0.68 -0.32 -3.33 0.00 0.00 175.10 172.52 1dkz s MET 408 N -2.04 4.31 -0.25 1.54 1.75 0.07 -1.42 119.30 123.26 1dkz s MET 408 Ca 0.24 0.76 -0.07 0.00 -1.25 0.00 0.00 55.69 55.38 1dkz s MET 408 Cb -0.12 -3.52 -0.02 0.00 2.84 0.00 0.00 34.83 34.00 1dkz s MET 408 CO 0.16 -0.13 0.05 0.99 -0.65 0.00 0.00 175.02 175.44 1dkz s THR 409 N 1.50 4.13 0.08 10.11 2.01 0.87 -4.91 115.64 129.43 1dkz s THR 409 Ca 0.33 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.79 1dkz s THR 409 Cb -0.16 -2.93 -0.05 0.00 0.01 0.00 0.00 72.50 69.36 1dkz s THR 409 CO 0.13 0.35 1.05 -0.89 -0.69 0.00 0.00 174.62 174.57 1dkz s THR 410 N 1.59 4.36 -0.21 -0.82 2.01 -1.26 -0.19 115.64 121.12 1dkz s THR 410 Ca 0.06 1.84 -0.00 0.00 0.31 0.00 0.00 61.69 63.90 1dkz s THR 410 Cb -0.15 -4.17 -0.13 0.00 0.01 0.00 0.00 72.50 68.06 1dkz s THR 410 CO 0.02 0.22 -0.20 0.18 -0.69 0.00 0.00 174.62 174.16 1dkz n LEU 411 N 3.25 2.79 -3.94 4.42 7.99 0.87 -4.92 117.00 127.45 1dkz n LEU 411 Ca 0.05 -0.06 -0.29 0.00 -0.01 0.00 0.00 56.01 55.70 1dkz n LEU 411 Cb 0.48 -0.71 -0.16 0.00 -0.11 0.00 0.00 43.42 42.92 1dkz n LEU 411 CO 0.53 0.80 -0.44 -0.63 -1.51 0.00 0.00 177.39 176.13 1dkz s ILE 412 N -2.41 1.33 0.70 -0.08 1.01 -0.09 -4.81 121.20 116.85 1dkz s ILE 412 Ca -0.28 -0.72 -0.14 0.00 0.00 0.00 0.00 60.65 59.52 1dkz s ILE 412 Cb 0.08 -1.42 0.02 0.00 0.01 0.00 0.00 42.46 41.15 1dkz s ILE 412 CO 0.46 0.21 1.12 0.00 0.00 0.00 0.00 174.94 176.73 1dkz s ALA 413 N 1.55 2.35 0.49 9.38 0.00 -1.26 -0.53 121.76 133.73 1dkz s ALA 413 Ca 0.01 0.51 -0.23 0.00 0.00 0.00 0.00 51.96 52.25 1dkz s ALA 413 Cb -0.15 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.57 1dkz s ALA 413 CO -0.08 -1.51 1.16 1.17 0.00 0.00 0.00 175.76 176.50 1dkz n LYS 414 N -2.78 1.51 -3.12 0.00 4.81 -1.26 -3.04 118.16 114.29 1dkz n LYS 414 Ca 0.10 0.55 -0.22 0.00 -0.87 0.00 0.00 58.31 57.88 1dkz n LYS 414 Cb 0.52 -2.29 0.04 0.00 0.02 0.00 0.00 35.03 33.32 1dkz n LYS 414 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1dkz n ASN 415 N -0.18 -5.98 -4.85 3.14 5.03 0.20 -4.95 115.26 107.66 1dkz n ASN 415 Ca 0.10 -0.33 -0.37 0.00 0.87 0.00 0.00 54.58 54.84 1dkz n ASN 415 Cb 0.42 -4.75 -0.06 0.00 -1.02 0.00 0.00 39.78 34.37 1dkz n ASN 415 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1dkz s THR 416 N -3.19 5.17 0.09 3.41 2.01 -1.17 -4.78 115.64 117.18 1dkz s THR 416 Ca 0.35 0.61 -0.23 0.00 0.31 0.00 0.00 61.69 62.73 1dkz s THR 416 Cb -0.16 -3.62 -0.07 0.00 0.01 0.00 0.00 72.50 68.67 1dkz s THR 416 CO 0.44 0.55 0.68 0.42 -0.69 0.00 0.00 174.62 176.02 1dkz s THR 417 N -1.11 4.63 0.23 -0.82 -4.23 -1.26 -0.42 115.64 112.66 1dkz s THR 417 Ca 0.23 1.47 0.06 0.00 -1.18 0.00 0.00 61.69 62.27 1dkz s THR 417 Cb -0.15 -4.03 -0.04 0.00 1.34 0.00 0.00 72.50 69.63 1dkz s THR 417 CO 0.12 0.49 0.19 0.27 -0.54 0.00 0.00 174.62 175.15 1dkz s ILE 418 N -0.81 4.52 0.56 2.99 -4.36 -0.80 -4.36 121.20 118.94 1dkz s ILE 418 Ca 0.33 -1.29 -0.20 0.00 -0.26 0.00 0.00 60.65 59.23 1dkz s ILE 418 Cb -0.21 -3.41 -0.05 0.00 1.25 0.00 0.00 42.46 40.04 1dkz s ILE 418 CO 0.22 -0.29 1.21 -2.16 0.24 0.00 0.00 174.94 174.16 1dkz s PRO 419 N -3.67 3.14 -0.08 0.37 0.04 -1.26 -4.75 135.00 128.79 1dkz s PRO 419 Ca 0.32 1.83 -0.21 0.00 0.04 0.00 0.00 61.00 62.99 1dkz s PRO 419 Cb -0.08 -2.03 0.05 0.00 0.04 0.00 0.00 34.50 32.47 1dkz s PRO 419 CO 0.25 -1.07 0.49 -0.08 0.04 0.00 0.00 177.00 176.63 1dkz s THR 420 N -1.58 0.02 -0.05 1.26 -1.32 -0.28 -5.01 115.64 108.68 1dkz s THR 420 Ca 0.74 -0.18 -0.02 0.00 -1.21 0.00 0.00 61.69 61.03 1dkz s THR 420 Cb -0.30 -0.77 0.03 0.00 -1.51 0.00 0.00 72.50 69.95 1dkz s THR 420 CO 0.34 -0.10 0.03 -0.75 -2.21 0.00 0.00 174.62 171.93 1dkz s LYS 421 N -0.80 0.24 0.09 7.08 2.20 -1.26 -0.48 119.74 126.80 1dkz s LYS 421 Ca -0.09 0.25 0.05 0.00 -0.36 0.00 0.00 55.97 55.83 1dkz s LYS 421 Cb -0.03 -0.72 -0.03 0.00 -1.51 0.00 0.00 37.83 35.54 1dkz s LYS 421 CO 0.05 -0.32 -0.14 -1.01 -0.36 0.00 0.00 175.35 173.57 1dkz s HIS 422 N 2.07 1.30 0.06 4.03 3.76 -0.27 -5.00 115.29 121.24 1dkz s HIS 422 Ca 0.05 -0.51 -0.02 0.00 -0.15 0.00 0.00 55.06 54.43 1dkz s HIS 422 Cb -0.12 -0.71 -0.03 0.00 1.11 0.00 0.00 32.58 32.83 1dkz s HIS 422 CO -0.04 0.09 0.01 -1.12 -0.85 0.00 0.00 174.74 172.84 1dkz s SER 423 N -2.05 0.41 -0.12 1.40 0.01 -1.26 -0.49 113.70 111.60 1dkz s SER 423 Ca 0.03 -0.96 -0.27 0.00 1.31 0.00 0.00 55.95 56.06 1dkz s SER 423 Cb -0.08 0.23 0.07 0.00 0.21 0.00 0.00 66.02 66.45 1dkz s SER 423 CO 0.02 -0.63 0.65 -1.58 0.41 0.00 0.00 173.24 172.12 1dkz s GLN 424 N -3.92 0.94 -0.16 12.44 0.74 -0.60 -5.00 119.66 124.10 1dkz s GLN 424 Ca 0.08 0.48 -0.10 0.00 0.05 0.00 0.00 55.36 55.87 1dkz s GLN 424 Cb 0.07 0.44 -0.05 0.00 1.10 0.00 0.00 33.01 34.58 1dkz s GLN 424 CO -0.09 -0.23 0.17 0.08 -0.55 0.00 0.00 175.29 174.67 1dkz s VAL 425 N -0.63 5.41 0.51 1.34 1.01 -1.26 -0.85 120.40 125.92 1dkz s VAL 425 Ca -0.07 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.21 1dkz s VAL 425 Cb -0.02 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1dkz s VAL 425 CO 0.06 0.50 0.02 -0.36 0.00 0.00 0.00 175.10 175.32 1dkz s PHE 426 N -0.15 1.79 0.32 5.22 0.40 0.65 -4.93 117.98 121.28 1dkz s PHE 426 Ca 0.12 -1.03 0.01 0.00 -0.60 0.00 0.00 56.93 55.44 1dkz s PHE 426 Cb -0.12 -1.54 -0.00 0.00 0.51 0.00 0.00 43.02 41.87 1dkz s PHE 426 CO 0.02 0.15 0.40 0.45 0.70 0.00 0.00 175.22 176.93 1dkz n SER 427 N -1.31 -1.09 -4.80 1.36 2.88 -1.26 -0.77 113.62 108.63 1dkz n SER 427 Ca -0.19 -2.85 -0.36 0.00 -1.33 0.00 0.00 58.87 54.14 1dkz n SER 427 Cb 0.67 2.13 -0.06 0.00 -0.75 0.00 0.00 64.21 66.19 1dkz n SER 427 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1dkz s THR 428 N -2.93 4.38 -0.22 2.46 -4.23 -1.26 -4.88 115.64 108.96 1dkz s THR 428 Ca 0.30 1.54 0.18 0.00 -1.18 0.00 0.00 61.69 62.53 1dkz s THR 428 Cb -0.00 -3.86 0.05 0.00 1.34 0.00 0.00 72.50 70.03 1dkz s THR 428 CO 0.21 0.05 1.24 0.00 -0.54 0.00 0.00 174.62 175.58 1dkz h ALA 429 N 2.93 0.70 -3.35 3.99 0.00 -1.95 -1.51 119.26 120.06 1dkz h ALA 429 Ca -0.48 -0.38 -0.51 0.00 0.00 0.00 0.00 54.91 53.54 1dkz h ALA 429 Cb 1.19 0.04 -0.20 0.00 0.00 0.00 0.00 17.79 18.82 1dkz h ALA 429 CO 0.64 0.46 -0.80 -1.83 0.00 0.00 0.00 179.25 177.73 1dkz s GLU 430 N -3.08 1.10 0.33 0.00 1.03 -1.26 -4.85 118.70 111.98 1dkz s GLU 430 Ca 0.02 -1.20 -0.29 0.00 0.03 0.00 0.00 54.97 53.53 1dkz s GLU 430 Cb 0.08 -1.23 -0.11 0.00 -0.80 0.00 0.00 34.13 32.07 1dkz s GLU 430 CO 0.76 0.27 1.42 -0.51 -1.33 0.00 0.00 175.26 175.86 1dkz s ASP 431 N -2.14 6.56 -1.85 0.83 1.01 -1.26 -2.35 116.67 117.48 1dkz s ASP 431 Ca 0.08 2.84 0.00 0.00 0.71 0.00 0.00 52.55 56.18 1dkz s ASP 431 Cb -0.08 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.20 1dkz s ASP 431 CO 0.04 -0.72 0.00 -3.20 0.21 0.00 0.00 175.17 171.51 1dkz n ASN 432 N 1.02 -5.16 -4.71 0.27 5.15 -0.26 -4.89 115.26 106.68 1dkz n ASN 432 Ca 0.02 0.38 -0.42 0.00 -0.60 0.00 0.00 54.58 53.96 1dkz n ASN 432 Cb 0.40 -4.23 -0.03 0.00 -0.53 0.00 0.00 39.78 35.39 1dkz n ASN 432 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1dkz s GLN 433 N -3.69 4.25 0.00 1.20 0.74 -0.99 -4.85 119.66 116.32 1dkz s GLN 433 Ca 0.00 2.22 0.23 0.00 0.05 0.00 0.00 55.36 57.86 1dkz s GLN 433 Cb 0.00 -3.31 0.10 0.00 1.10 0.00 0.00 33.01 30.90 1dkz s GLN 433 CO 0.00 -0.57 1.14 -1.13 -0.55 0.00 0.00 175.29 174.18 1dkz n SER 434 N 4.41 1.08 -3.55 6.67 3.41 -1.26 -4.72 113.62 119.67 1dkz n SER 434 Ca 0.13 -0.91 -0.13 0.00 -0.26 0.00 0.00 58.87 57.71 1dkz n SER 434 Cb 0.41 0.62 -0.04 0.00 -0.26 0.00 0.00 64.21 64.93 1dkz n SER 434 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dkz s ALA 435 N -2.84 -1.34 0.04 7.33 0.00 -1.26 -1.74 121.76 121.95 1dkz s ALA 435 Ca 0.13 0.50 0.07 0.00 0.00 0.00 0.00 51.96 52.65 1dkz s ALA 435 Cb 0.17 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.79 1dkz s ALA 435 CO 0.73 -0.58 -0.19 0.14 0.00 0.00 0.00 175.76 175.86 1dkz s VAL 436 N -2.90 1.54 -0.19 0.00 -7.23 -0.62 -4.98 120.40 106.02 1dkz s VAL 436 Ca -0.03 -1.14 -0.08 0.00 -1.81 0.00 0.00 61.98 58.92 1dkz s VAL 436 Cb -0.00 -1.35 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 1dkz s VAL 436 CO -0.05 0.17 0.08 -0.44 -0.31 0.00 0.00 175.10 174.55 1dkz s SER 437 N -1.14 5.73 -0.41 4.85 0.01 -1.26 -1.43 113.70 120.05 1dkz s SER 437 Ca 0.06 0.09 -0.11 0.00 1.31 0.00 0.00 55.95 57.31 1dkz s SER 437 Cb -0.09 -1.99 0.05 0.00 0.21 0.00 0.00 66.02 64.21 1dkz s SER 437 CO 0.02 0.16 0.26 -0.63 0.41 0.00 0.00 173.24 173.46 1dkz s ILE 438 N 0.45 4.56 -0.43 1.44 -1.09 0.39 -4.94 121.20 121.58 1dkz s ILE 438 Ca 0.04 -1.10 -0.11 0.00 -2.23 0.00 0.00 60.65 57.26 1dkz s ILE 438 Cb -0.12 -3.67 0.08 0.00 -1.58 0.00 0.00 42.46 37.17 1dkz s ILE 438 CO 0.00 -0.40 0.29 -2.28 -1.23 0.00 0.00 174.94 171.33 1dkz s HIS 439 N 1.52 3.32 0.13 3.97 5.65 -1.26 -1.90 115.29 126.71 1dkz s HIS 439 Ca 0.03 -1.39 -0.30 0.00 0.25 0.00 0.00 55.06 53.65 1dkz s HIS 439 Cb -0.21 -3.01 -0.07 0.00 -1.18 0.00 0.00 32.58 28.11 1dkz s HIS 439 CO 0.05 -0.84 1.18 0.08 -0.65 0.00 0.00 174.74 174.56 1dkz s VAL 440 N 1.48 3.84 0.05 0.89 1.01 -0.08 -2.09 120.40 125.48 1dkz s VAL 440 Ca 0.03 1.44 0.05 0.00 0.00 0.00 0.00 61.98 63.50 1dkz s VAL 440 Cb -0.23 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 1dkz s VAL 440 CO 0.03 0.18 -0.14 -0.76 0.00 0.00 0.00 175.10 174.41 1dkz s LEU 441 N 0.33 2.20 -0.10 3.92 1.43 0.87 -1.08 118.68 126.24 1dkz s LEU 441 Ca 0.55 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 1dkz s LEU 441 Cb -0.31 -0.57 0.01 0.00 0.03 0.00 0.00 46.19 45.36 1dkz s LEU 441 CO 0.33 0.00 -0.16 -1.58 0.23 0.00 0.00 176.35 175.17 1dkz s GLN 442 N -1.27 2.26 0.00 1.70 0.74 0.66 -1.10 119.66 122.64 1dkz s GLN 442 Ca 0.01 -0.58 0.00 0.00 0.05 0.00 0.00 55.36 54.83 1dkz s GLN 442 Cb -0.08 -1.87 0.00 0.00 1.10 0.00 0.00 33.01 32.16 1dkz s GLN 442 CO 0.01 -0.01 0.00 0.41 -0.55 0.00 0.00 175.29 175.15 1dkz n GLY 443 N 4.03 0.38 0.30 2.59 0.00 -0.11 0.05 105.19 112.44 1dkz n GLY 443 Ca -0.20 -1.51 0.03 0.00 0.00 0.00 0.00 46.02 44.34 1dkz n GLY 443 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dkz n GLU 444 N -1.37 1.02 -2.69 1.61 -0.58 -1.26 -3.60 120.64 113.77 1dkz n GLU 444 Ca 0.00 -1.23 -0.32 0.00 -0.42 0.00 0.00 57.16 55.18 1dkz n GLU 444 Cb 0.00 -1.14 -0.05 0.00 -0.57 0.00 0.00 31.44 29.68 1dkz n GLU 444 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1dkz s ARG 445 N -0.71 4.07 0.09 3.49 1.81 -1.26 -4.93 118.95 121.51 1dkz s ARG 445 Ca 0.10 0.97 0.08 0.00 -1.72 0.00 0.00 55.73 55.15 1dkz s ARG 445 Cb 0.06 -2.20 -0.22 0.00 -0.45 0.00 0.00 34.95 32.14 1dkz s ARG 445 CO 0.09 -0.11 1.18 0.87 -0.68 0.00 0.00 175.30 176.65 1dkz h LYS 446 N 1.51 0.01 -5.97 3.54 1.79 -1.91 -3.42 116.57 112.12 1dkz h LYS 446 Ca -0.48 -0.01 -0.58 0.00 -2.18 0.00 0.00 60.65 57.40 1dkz h LYS 446 Cb 1.18 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.77 1dkz h LYS 446 CO 0.62 0.92 0.46 0.50 -1.08 0.00 0.00 179.45 180.87 1dkz s ARG 447 N -2.69 4.29 0.29 3.15 3.52 -1.26 -0.75 118.95 125.49 1dkz s ARG 447 Ca -0.00 1.08 0.03 0.00 -0.13 0.00 0.00 55.73 56.70 1dkz s ARG 447 Cb 0.10 -3.59 0.61 0.00 -1.56 0.00 0.00 34.95 30.51 1dkz s ARG 447 CO 0.82 -0.38 1.82 0.00 -0.81 0.00 0.00 175.30 176.75 1dkz h ALA 448 N 7.36 1.57 0.00 6.12 0.00 -1.41 -1.89 119.26 131.01 1dkz h ALA 448 Ca -0.28 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1dkz h ALA 448 Cb 1.12 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1dkz h ALA 448 CO 0.86 0.15 -0.05 0.00 0.00 0.00 0.00 179.25 180.20 1dkz h ALA 449 N 1.57 1.28 -0.16 0.00 0.00 -1.92 -1.89 119.26 118.14 1dkz h ALA 449 Ca 0.52 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1dkz h ALA 449 Cb 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1dkz h ALA 449 CO -0.30 0.07 0.00 -0.25 0.00 0.00 0.00 179.25 178.77 1dkz n ASP 450 N -3.55 1.41 -4.84 0.00 8.00 -0.71 -4.88 116.55 111.97 1dkz n ASP 450 Ca -0.02 -1.70 -0.22 0.00 0.71 0.00 0.00 54.79 53.56 1dkz n ASP 450 Cb 0.16 -0.10 -0.04 0.00 -0.02 0.00 0.00 41.12 41.12 1dkz n ASP 450 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1dkz s ASN 451 N -1.51 4.95 -0.16 -2.24 0.01 -0.71 -4.78 114.94 110.50 1dkz s ASN 451 Ca 0.30 -0.78 -0.28 0.00 -0.71 0.00 0.00 52.86 51.40 1dkz s ASN 451 Cb 0.16 -0.60 -0.01 0.00 0.41 0.00 0.00 41.25 41.21 1dkz s ASN 451 CO 0.24 -0.59 0.94 -0.75 -1.51 0.00 0.00 177.10 175.43 1dkz s LYS 452 N -4.07 4.33 -0.20 -0.60 2.47 0.11 -4.88 119.74 116.90 1dkz s LYS 452 Ca 0.46 1.22 -0.27 0.00 -1.56 0.00 0.00 55.97 55.82 1dkz s LYS 452 Cb -0.02 -3.58 -0.00 0.00 -1.46 0.00 0.00 37.83 32.76 1dkz s LYS 452 CO 0.27 -0.40 0.93 0.45 0.16 0.00 0.00 175.35 176.76 1dkz s SER 453 N 1.15 7.02 0.02 1.43 0.15 -1.26 -0.24 113.70 121.97 1dkz s SER 453 Ca 0.43 1.26 0.24 0.00 0.70 0.00 0.00 55.95 58.58 1dkz s SER 453 Cb -0.17 -2.49 0.29 0.00 -1.71 0.00 0.00 66.02 61.94 1dkz s SER 453 CO 0.13 -0.52 1.25 0.18 1.20 0.00 0.00 173.24 175.47 1dkz n LEU 454 N 5.74 0.62 0.00 3.45 4.77 -0.25 -4.95 117.00 126.38 1dkz n LEU 454 Ca 0.08 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1dkz n LEU 454 Cb 0.48 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1dkz n LEU 454 CO 0.50 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1dkz n GLY 455 N 1.46 1.58 3.36 -0.72 0.00 -1.25 -4.98 105.19 104.64 1dkz n GLY 455 Ca 0.04 -1.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.05 1dkz n GLY 455 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1dkz s GLN 456 N -1.25 1.11 0.19 1.61 -2.07 -1.26 -0.91 119.66 117.08 1dkz s GLN 456 Ca 0.00 -0.53 -0.19 0.00 -1.82 0.00 0.00 55.36 52.83 1dkz s GLN 456 Cb 0.00 0.50 0.04 0.00 -1.09 0.00 0.00 33.01 32.45 1dkz s GLN 456 CO 0.00 -0.44 0.54 -0.59 -1.32 0.00 0.00 175.29 173.48 1dkz s PHE 457 N -3.43 -0.21 0.18 9.60 -0.71 -0.80 -5.00 117.98 117.61 1dkz s PHE 457 Ca 0.00 -0.12 0.08 0.00 -1.04 0.00 0.00 56.93 55.86 1dkz s PHE 457 Cb 0.00 0.43 -0.04 0.00 -1.21 0.00 0.00 43.02 42.21 1dkz s PHE 457 CO -0.10 -0.91 -0.05 -0.80 -1.34 0.00 0.00 175.22 172.02 1dkz s ASN 458 N -2.85 4.49 -0.20 1.98 0.02 -1.26 -0.46 114.94 116.66 1dkz s ASN 458 Ca 0.07 -0.50 0.01 0.00 -1.02 0.00 0.00 52.86 51.43 1dkz s ASN 458 Cb -0.01 -0.85 0.04 0.00 0.02 0.00 0.00 41.25 40.44 1dkz s ASN 458 CO -0.05 0.10 -0.14 -0.22 0.02 0.00 0.00 177.10 176.81 1dkz s LEU 459 N -2.89 2.40 0.00 0.60 2.96 -0.51 -4.84 118.68 116.39 1dkz s LEU 459 Ca 0.26 -0.86 0.02 0.00 -0.22 0.00 0.00 54.13 53.32 1dkz s LEU 459 Cb -0.09 -1.37 0.02 0.00 0.50 0.00 0.00 46.19 45.25 1dkz s LEU 459 CO 0.17 -0.10 0.15 -0.90 -1.32 0.00 0.00 176.35 174.36 1dkz n ASP 460 N 4.62 1.94 0.00 3.68 5.75 -1.26 -1.59 116.55 129.68 1dkz n ASP 460 Ca -0.17 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.73 1dkz n ASP 460 Cb 0.47 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1dkz n ASP 460 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dkz n GLY 461 N 2.04 0.60 3.68 6.12 0.00 -0.84 -4.93 105.19 111.87 1dkz n GLY 461 Ca -0.02 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1dkz n GLY 461 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dkz s ILE 462 N -2.00 3.84 0.56 -0.61 1.01 -0.71 -4.96 121.20 118.33 1dkz s ILE 462 Ca 0.00 1.17 -0.18 0.00 0.00 0.00 0.00 60.65 61.64 1dkz s ILE 462 Cb 0.00 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 1dkz s ILE 462 CO 0.00 -0.03 1.10 0.20 0.00 0.00 0.00 174.94 176.21 1dkz s ASN 463 N 2.00 5.74 0.02 3.58 0.02 -1.26 -4.40 114.94 120.63 1dkz s ASN 463 Ca 0.63 2.05 -0.36 0.00 -1.02 0.00 0.00 52.86 54.15 1dkz s ASN 463 Cb -0.29 -2.56 -0.15 0.00 0.02 0.00 0.00 41.25 38.26 1dkz s ASN 463 CO 0.25 -1.20 1.55 -0.81 0.02 0.00 0.00 177.10 176.91 1dkz n PRO 464 N -1.54 1.56 -3.49 -0.60 -0.04 -1.26 -4.88 135.00 124.74 1dkz n PRO 464 Ca 0.11 0.57 -0.12 0.00 -0.04 0.00 0.00 63.50 64.01 1dkz n PRO 464 Cb 0.52 -2.28 -0.03 0.00 -0.04 0.00 0.00 33.50 31.67 1dkz n PRO 464 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1dkz s ALA 465 N 1.63 -1.77 0.73 0.55 0.00 -1.26 -4.96 121.76 116.68 1dkz s ALA 465 Ca 0.87 1.02 -0.15 0.00 0.00 0.00 0.00 51.96 53.69 1dkz s ALA 465 Cb -0.87 0.28 0.04 0.00 0.00 0.00 0.00 23.12 22.58 1dkz s ALA 465 CO 0.48 -0.58 1.21 -2.14 0.00 0.00 0.00 175.76 174.73 1dkz s PRO 466 N -2.58 2.14 0.40 0.00 0.02 -1.26 -1.10 135.00 132.62 1dkz s PRO 466 Ca -0.01 1.79 -0.27 0.00 0.02 0.00 0.00 61.00 62.53 1dkz s PRO 466 Cb -0.01 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 32.58 1dkz s PRO 466 CO -0.05 -1.84 1.46 -2.13 -0.33 0.00 0.00 177.00 174.12 1dkz n ARG 467 N -2.69 2.53 -0.70 5.54 0.00 -1.26 -2.50 116.66 117.58 1dkz n ARG 467 Ca 0.14 0.89 0.00 0.00 -0.00 0.00 0.00 57.85 58.88 1dkz n ARG 467 Cb 0.50 -2.65 0.00 0.00 0.00 0.00 0.00 32.46 30.31 1dkz n ARG 467 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1dkz n GLY 468 N 0.50 0.96 0.13 5.14 0.00 -0.57 -4.90 105.19 106.45 1dkz n GLY 468 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 1dkz n GLY 468 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1dkz n MET 469 N -2.00 0.70 -1.65 1.61 2.81 -1.04 -4.86 117.12 112.69 1dkz n MET 469 Ca 0.00 0.26 -0.37 0.00 -1.81 0.00 0.00 57.70 55.78 1dkz n MET 469 Cb 0.00 -1.64 0.07 0.00 -0.71 0.00 0.00 33.22 30.94 1dkz n MET 469 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 1dkz n PRO 470 N -3.55 0.95 -3.86 0.03 -0.02 -1.26 -4.98 135.00 122.31 1dkz n PRO 470 Ca -0.38 0.38 -0.34 0.00 -2.02 0.00 0.00 63.50 61.13 1dkz n PRO 470 Cb 0.99 -2.36 -0.13 0.00 -0.02 0.00 0.00 33.50 31.98 1dkz n PRO 470 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1dkz s GLN 471 N -3.14 1.89 -0.42 -0.52 -0.21 -1.26 -4.27 119.66 111.72 1dkz s GLN 471 Ca 0.80 -1.78 -0.10 0.00 0.02 0.00 0.00 55.36 54.30 1dkz s GLN 471 Cb -0.39 -3.43 0.08 0.00 1.00 0.00 0.00 33.01 30.27 1dkz s GLN 471 CO 0.43 -0.98 0.28 0.42 -2.12 0.00 0.00 175.29 173.32 1dkz s ILE 472 N 1.08 4.36 -0.17 1.08 -1.09 0.05 -1.28 121.20 125.23 1dkz s ILE 472 Ca 0.08 -1.35 -0.24 0.00 -2.23 0.00 0.00 60.65 56.90 1dkz s ILE 472 Cb -0.21 -3.66 -0.02 0.00 -1.58 0.00 0.00 42.46 36.99 1dkz s ILE 472 CO -0.05 -0.51 0.79 -0.70 -1.23 0.00 0.00 174.94 173.23 1dkz s GLU 473 N 1.45 4.28 -0.17 2.79 2.12 0.53 -0.26 118.70 129.45 1dkz s GLU 473 Ca 0.03 0.93 -0.03 0.00 0.36 0.00 0.00 54.97 56.26 1dkz s GLU 473 Cb -0.23 -3.57 -0.02 0.00 0.26 0.00 0.00 34.13 30.57 1dkz s GLU 473 CO 0.03 -0.30 -0.06 0.08 -0.54 0.00 0.00 175.26 174.47 1dkz s VAL 474 N 2.08 3.52 -0.08 3.70 1.01 -0.03 -0.46 120.40 130.15 1dkz s VAL 474 Ca 0.36 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.92 1dkz s VAL 474 Cb -0.16 -2.55 -0.00 0.00 0.00 0.00 0.00 36.38 33.66 1dkz s VAL 474 CO 0.12 0.47 -0.23 -0.89 0.00 0.00 0.00 175.10 174.57 1dkz s THR 475 N 0.77 1.94 -0.22 3.92 2.01 0.02 -1.55 115.64 122.53 1dkz s THR 475 Ca -0.02 -0.97 -0.04 0.00 0.31 0.00 0.00 61.69 60.96 1dkz s THR 475 Cb -0.15 -1.67 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 1dkz s THR 475 CO 0.02 0.54 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.10 1dkz s PHE 476 N 0.17 2.98 -0.21 4.92 0.40 0.36 -1.30 117.98 125.30 1dkz s PHE 476 Ca -0.12 -0.77 -0.01 0.00 -0.60 0.00 0.00 56.93 55.43 1dkz s PHE 476 Cb -0.16 -2.11 0.06 0.00 0.51 0.00 0.00 43.02 41.32 1dkz s PHE 476 CO 0.06 -0.45 -0.01 0.34 0.70 0.00 0.00 175.22 175.86 1dkz s ASP 477 N 1.38 3.39 -0.25 1.36 2.15 -0.10 -1.11 116.67 123.49 1dkz s ASP 477 Ca 0.05 -1.00 -0.08 0.00 0.43 0.00 0.00 52.55 51.95 1dkz s ASP 477 Cb -0.14 -0.90 -0.04 0.00 -0.30 0.00 0.00 42.92 41.54 1dkz s ASP 477 CO -0.01 -0.27 0.10 -0.63 -0.17 0.00 0.00 175.17 174.19 1dkz s ILE 478 N 1.62 4.62 0.77 4.11 1.01 0.36 -0.33 121.20 133.37 1dkz s ILE 478 Ca -0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.51 1dkz s ILE 478 Cb -0.18 -3.16 0.14 0.00 0.01 0.00 0.00 42.46 39.27 1dkz s ILE 478 CO -0.07 0.33 1.07 1.51 0.00 0.00 0.00 174.94 177.78 1dkz s ASP 479 N 1.49 4.08 0.40 3.58 1.47 -0.90 -1.13 116.67 125.66 1dkz s ASP 479 Ca 0.06 -0.21 0.13 0.00 1.18 0.00 0.00 52.55 53.71 1dkz s ASP 479 Cb -0.15 -0.10 0.96 0.00 -0.34 0.00 0.00 42.92 43.29 1dkz s ASP 479 CO 0.05 -2.05 1.89 0.00 0.68 0.00 0.00 175.17 175.74 1dkz h ALA 480 N -0.78 2.01 0.00 2.11 0.00 -1.92 0.21 119.26 120.90 1dkz h ALA 480 Ca -0.38 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1dkz h ALA 480 Cb 1.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1dkz h ALA 480 CO 0.40 -0.25 0.00 -0.25 0.00 0.00 0.00 179.25 179.15 1dkz n ASP 481 N -4.52 0.00 0.00 0.00 8.00 -1.26 -4.88 116.55 113.88 1dkz n ASP 481 Ca 0.17 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.84 1dkz n ASP 481 Cb 0.54 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 1dkz n ASP 481 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dkz n GLY 482 N 0.66 0.62 3.71 0.44 0.00 0.73 -4.78 105.19 106.57 1dkz n GLY 482 Ca 0.09 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1dkz n GLY 482 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dkz s ILE 483 N -2.00 4.99 -0.24 -0.61 1.01 -1.26 -3.66 121.20 119.44 1dkz s ILE 483 Ca 0.00 1.58 -0.16 0.00 0.00 0.00 0.00 60.65 62.07 1dkz s ILE 483 Cb 0.00 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1dkz s ILE 483 CO 0.00 0.21 0.41 -0.22 0.00 0.00 0.00 174.94 175.33 1dkz s LEU 484 N 1.00 4.09 -0.30 2.97 2.96 -0.55 -2.11 118.68 126.74 1dkz s LEU 484 Ca 0.40 0.43 -0.05 0.00 -0.22 0.00 0.00 54.13 54.69 1dkz s LEU 484 Cb -0.18 -2.50 0.03 0.00 0.50 0.00 0.00 46.19 44.03 1dkz s LEU 484 CO 0.19 -0.15 0.06 -1.00 -1.32 0.00 0.00 176.35 174.13 1dkz s HIS 485 N 1.76 3.18 -0.19 5.38 3.76 0.55 -0.39 115.29 129.34 1dkz s HIS 485 Ca 0.18 -1.32 -0.05 0.00 -0.15 0.00 0.00 55.06 53.72 1dkz s HIS 485 Cb -0.15 -2.21 -0.03 0.00 1.11 0.00 0.00 32.58 31.30 1dkz s HIS 485 CO 0.09 -0.68 0.00 0.08 -0.85 0.00 0.00 174.74 173.38 1dkz s VAL 486 N 1.41 4.06 0.09 -0.90 1.01 -0.10 -0.92 120.40 125.05 1dkz s VAL 486 Ca -0.00 -0.29 0.07 0.00 0.00 0.00 0.00 61.98 61.76 1dkz s VAL 486 Cb -0.18 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1dkz s VAL 486 CO 0.01 0.45 -0.18 -0.94 0.00 0.00 0.00 175.10 174.44 1dkz s SER 487 N 0.76 2.21 -0.08 3.32 1.04 -0.42 -0.96 113.70 119.57 1dkz s SER 487 Ca 0.00 -0.67 0.01 0.00 0.48 0.00 0.00 55.95 55.77 1dkz s SER 487 Cb -0.14 -0.10 0.02 0.00 0.10 0.00 0.00 66.02 65.89 1dkz s SER 487 CO 0.02 -0.00 -0.10 0.00 0.98 0.00 0.00 173.24 174.14 1dkz s ALA 488 N -1.27 1.23 -0.06 5.32 0.00 -0.39 -0.80 121.76 125.79 1dkz s ALA 488 Ca 0.04 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 51.58 1dkz s ALA 488 Cb -0.10 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.36 1dkz s ALA 488 CO 0.04 -0.09 -0.09 0.21 0.00 0.00 0.00 175.76 175.82 1dkz s LYS 489 N 1.07 1.33 -0.36 0.00 2.20 0.40 -1.51 119.74 122.87 1dkz s LYS 489 Ca -0.07 -0.28 -0.25 0.00 -0.36 0.00 0.00 55.97 55.01 1dkz s LYS 489 Cb -0.14 -1.17 0.01 0.00 -1.51 0.00 0.00 37.83 35.02 1dkz s LYS 489 CO -0.01 -0.02 0.87 0.34 -0.36 0.00 0.00 175.35 176.17 1dkz s ASP 490 N 0.78 6.65 0.52 1.43 -1.08 -0.39 -0.35 116.67 124.22 1dkz s ASP 490 Ca -0.13 0.53 0.29 0.00 -0.52 0.00 0.00 52.55 52.73 1dkz s ASP 490 Cb -0.15 -2.44 1.35 0.00 -1.46 0.00 0.00 42.92 40.22 1dkz s ASP 490 CO 0.02 -0.80 2.00 0.11 0.52 0.00 0.00 175.17 177.02 1dkz h LYS 491 N 8.44 0.00 0.05 4.34 1.57 -1.50 0.65 116.57 130.12 1dkz h LYS 491 Ca -0.24 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1dkz h LYS 491 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1dkz h LYS 491 CO 0.95 0.11 -0.02 -0.97 -0.57 0.00 0.00 179.45 178.95 1dkz h ASN 492 N 0.00 -0.06 0.83 0.86 -1.24 -1.92 -3.37 115.58 110.69 1dkz h ASN 492 Ca -0.00 -0.61 0.00 0.00 0.71 0.00 0.00 56.30 56.40 1dkz h ASN 492 Cb 0.48 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.55 1dkz h ASN 492 CO 0.01 0.65 -0.97 -1.54 -1.29 0.00 0.00 177.43 174.29 1dkz n SER 493 N -4.78 0.74 0.00 1.15 3.41 -1.20 -4.96 113.62 107.98 1dkz n SER 493 Ca -0.08 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1dkz n SER 493 Cb 0.32 0.51 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 1dkz n SER 493 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dkz n GLY 494 N 1.25 0.72 3.78 5.00 0.00 0.23 -5.00 105.19 111.17 1dkz n GLY 494 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1dkz n GLY 494 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dkz s LYS 495 N -0.19 3.35 -0.04 1.61 1.02 -1.23 -4.78 119.74 119.48 1dkz s LYS 495 Ca 0.00 1.52 -0.10 0.00 0.02 0.00 0.00 55.97 57.41 1dkz s LYS 495 Cb 0.00 -2.01 0.02 0.00 -0.52 0.00 0.00 37.83 35.31 1dkz s LYS 495 CO 0.00 -0.83 0.23 -2.00 -0.92 0.00 0.00 175.35 171.83 1dkz s GLU 496 N -3.43 0.45 0.01 1.68 2.12 -1.26 -1.27 118.70 117.01 1dkz s GLU 496 Ca 0.71 -0.02 0.03 0.00 0.36 0.00 0.00 54.97 56.04 1dkz s GLU 496 Cb -0.22 0.20 -0.01 0.00 0.26 0.00 0.00 34.13 34.36 1dkz s GLU 496 CO 0.28 -0.10 -0.08 -0.65 -0.54 0.00 0.00 175.26 174.17 1dkz s GLN 497 N -0.72 0.60 0.13 4.30 -1.52 -0.57 -4.99 119.66 116.90 1dkz s GLN 497 Ca -0.08 -0.44 0.04 0.00 -1.95 0.00 0.00 55.36 52.93 1dkz s GLN 497 Cb -0.04 -0.54 -0.04 0.00 -0.22 0.00 0.00 33.01 32.17 1dkz s GLN 497 CO 0.02 0.14 -0.10 0.15 -0.25 0.00 0.00 175.29 175.24 1dkz s LYS 498 N -0.63 1.01 -0.01 2.91 1.02 -1.26 -1.27 119.74 121.51 1dkz s LYS 498 Ca -0.00 -1.37 0.01 0.00 0.02 0.00 0.00 55.97 54.62 1dkz s LYS 498 Cb -0.05 -0.61 0.01 0.00 -0.52 0.00 0.00 37.83 36.65 1dkz s LYS 498 CO 0.00 0.08 -0.02 -1.50 -0.92 0.00 0.00 175.35 172.99 1dkz s ILE 499 N -3.06 0.22 -0.11 2.17 2.07 -0.14 -5.01 121.20 117.34 1dkz s ILE 499 Ca 0.14 -0.06 0.02 0.00 -1.41 0.00 0.00 60.65 59.33 1dkz s ILE 499 Cb 0.01 -0.23 -0.01 0.00 0.13 0.00 0.00 42.46 42.36 1dkz s ILE 499 CO 0.00 0.09 -0.17 -0.89 -1.91 0.00 0.00 174.94 172.07 1dkz s THR 500 N 0.28 2.72 -0.21 4.00 2.01 -1.26 -0.92 115.64 122.26 1dkz s THR 500 Ca -0.03 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.20 1dkz s THR 500 Cb -0.05 -2.10 0.03 0.00 0.01 0.00 0.00 72.50 70.39 1dkz s THR 500 CO -0.01 0.54 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.68 1dkz s ILE 501 N 0.21 2.18 0.59 1.82 1.01 0.47 -5.01 121.20 122.48 1dkz s ILE 501 Ca -0.11 -1.17 -0.18 0.00 0.00 0.00 0.00 60.65 59.19 1dkz s ILE 501 Cb -0.16 -2.05 -0.06 0.00 0.01 0.00 0.00 42.46 40.20 1dkz s ILE 501 CO 0.06 0.32 0.86 0.29 0.00 0.00 0.00 174.94 176.48 1dkz n LYS 502 N 4.56 0.81 0.31 2.79 5.02 -1.26 -1.48 118.16 128.91 1dkz n LYS 502 Ca -0.18 0.31 0.19 0.00 -2.02 0.00 0.00 58.31 56.61 1dkz n LYS 502 Cb 0.47 -2.05 1.02 0.00 -0.02 0.00 0.00 35.03 34.45 1dkz n LYS 502 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1dkz h ALA 503 N 0.44 1.18 -0.00 7.82 0.00 -1.86 -1.51 119.26 125.33 1dkz h ALA 503 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1dkz h ALA 503 Cb 1.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1dkz h ALA 503 CO 0.50 0.02 -0.26 -1.13 0.00 0.00 0.00 179.25 178.38 1dkz n SER 504 N -3.37 0.52 -4.80 0.00 3.41 -1.26 -4.90 113.62 103.22 1dkz n SER 504 Ca -0.02 -0.35 -0.29 0.00 -0.26 0.00 0.00 58.87 57.94 1dkz n SER 504 Cb 0.12 0.02 0.12 0.00 -0.26 0.00 0.00 64.21 64.21 1dkz n SER 504 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1dkz s SER 505 N -2.75 3.89 0.00 4.04 0.01 -0.57 -4.88 113.70 113.43 1dkz s SER 505 Ca 0.19 1.04 0.00 0.00 1.31 0.00 0.00 55.95 58.49 1dkz s SER 505 Cb 0.19 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.76 1dkz s SER 505 CO 0.57 -2.32 0.00 0.61 0.41 0.00 0.00 173.24 172.51 1dkz n GLY 506 N -2.29 -0.20 3.89 3.44 0.00 -1.26 -4.96 105.19 103.82 1dkz n GLY 506 Ca 0.07 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 1dkz n GLY 506 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dkz s LEU 507 N 0.00 4.34 0.78 0.99 1.43 -1.26 -5.11 118.68 119.85 1dkz s LEU 507 Ca 0.00 0.52 -0.09 0.00 -1.03 0.00 0.00 54.13 53.53 1dkz s LEU 507 Cb 0.00 -2.92 0.10 0.00 0.03 0.00 0.00 46.19 43.40 1dkz s LEU 507 CO 0.00 0.18 1.11 0.54 0.23 0.00 0.00 176.35 178.41 1dkz s ASN 508 N -2.07 4.38 0.22 2.29 2.20 -1.26 -4.76 114.94 115.93 1dkz s ASN 508 Ca 0.33 0.43 -0.14 0.00 -0.94 0.00 0.00 52.86 52.55 1dkz s ASN 508 Cb -0.13 -0.91 0.25 0.00 -2.00 0.00 0.00 41.25 38.46 1dkz s ASN 508 CO 0.21 -1.91 1.61 1.05 -2.94 0.00 0.00 177.10 175.12 1dkz h GLU 509 N -0.91 -0.02 -0.04 3.55 -0.00 -1.99 0.17 114.58 115.34 1dkz h GLU 509 Ca -0.44 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 58.92 1dkz h GLU 509 Cb 1.30 0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 30.05 1dkz h GLU 509 CO 0.56 -0.02 0.01 -0.44 -0.00 0.00 0.00 179.01 179.13 1dkz h ASP 510 N -0.02 0.06 -0.91 3.06 3.32 -2.00 -2.51 116.42 117.41 1dkz h ASP 510 Ca 0.31 -0.20 0.18 0.00 0.02 0.00 0.00 57.03 57.34 1dkz h ASP 510 Cb 0.51 -0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.97 1dkz h ASP 510 CO -0.70 0.24 0.59 -0.33 -1.72 0.00 0.00 179.24 177.32 1dkz h GLU 511 N -0.13 0.56 -0.27 3.56 5.08 -1.68 0.25 114.58 121.95 1dkz h GLU 511 Ca 0.01 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1dkz h GLU 511 Cb 0.20 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1dkz h GLU 511 CO -0.00 0.37 0.12 0.82 -1.00 0.00 0.00 179.01 179.32 1dkz h ILE 512 N 0.58 1.16 -0.75 3.13 2.04 -0.75 0.11 117.51 123.02 1dkz h ILE 512 Ca 0.47 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 1dkz h ILE 512 Cb 0.94 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 1dkz h ILE 512 CO -0.22 0.16 0.33 1.56 0.00 0.00 0.00 178.15 179.99 1dkz h GLN 513 N 0.30 1.10 -0.55 2.37 4.20 -0.20 -1.31 115.11 121.01 1dkz h GLN 513 Ca 0.09 -0.17 -0.10 0.00 0.06 0.00 0.00 58.65 58.54 1dkz h GLN 513 Cb 0.14 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1dkz h GLN 513 CO -0.01 0.86 -0.03 -0.22 -0.67 0.00 0.00 178.83 178.77 1dkz h LYS 514 N 1.08 0.99 -0.50 1.46 3.64 -0.41 -1.91 116.57 120.93 1dkz h LYS 514 Ca 0.26 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1dkz h LYS 514 Cb 0.15 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1dkz h LYS 514 CO -0.03 1.01 0.28 1.98 -2.27 0.00 0.00 179.45 180.42 1dkz h MET 515 N 0.87 0.69 -0.70 1.90 4.05 -0.13 0.83 114.93 122.45 1dkz h MET 515 Ca 0.15 -0.08 -0.07 0.00 -0.28 0.00 0.00 59.70 59.42 1dkz h MET 515 Cb 0.58 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.21 1dkz h MET 515 CO 0.03 0.53 0.15 0.28 0.23 0.00 0.00 176.91 178.14 1dkz h VAL 516 N 0.66 1.26 0.39 -5.77 2.07 -1.21 -1.25 116.25 112.41 1dkz h VAL 516 Ca 0.18 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 1dkz h VAL 516 Cb 0.04 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1dkz h VAL 516 CO -0.03 0.38 -0.19 0.03 0.02 0.00 0.00 177.57 177.78 1dkz h ARG 517 N 1.06 -0.50 -0.91 1.57 3.08 -0.71 -2.43 114.38 115.54 1dkz h ARG 517 Ca 0.22 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 1dkz h ARG 517 Cb 0.39 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.51 1dkz h ARG 517 CO 0.01 -0.32 0.55 -0.44 -1.07 0.00 0.00 179.97 178.70 1dkz h ASP 518 N -0.55 1.08 -0.96 7.04 3.32 -0.79 -0.04 116.42 125.53 1dkz h ASP 518 Ca -0.05 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 56.96 1dkz h ASP 518 Cb 0.42 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.64 1dkz h ASP 518 CO 0.09 0.83 0.63 0.00 -1.72 0.00 0.00 179.24 179.06 1dkz h ALA 519 N 1.30 1.24 -0.14 3.45 0.00 -1.13 0.20 119.26 124.19 1dkz h ALA 519 Ca 0.33 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.98 1dkz h ALA 519 Cb -0.06 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.37 1dkz h ALA 519 CO -0.06 0.54 -0.72 1.05 0.00 0.00 0.00 179.25 180.06 1dkz h GLU 520 N 1.24 0.64 -0.32 0.00 4.11 -0.93 -2.25 114.58 117.07 1dkz h GLU 520 Ca 0.37 -0.50 -0.06 0.00 0.07 0.00 0.00 59.36 59.24 1dkz h GLU 520 Cb -0.06 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1dkz h GLU 520 CO -0.10 1.12 -0.05 0.00 0.07 0.00 0.00 179.01 180.04 1dkz h ALA 521 N 0.74 1.31 -0.65 1.06 0.00 -0.35 -3.10 119.26 118.28 1dkz h ALA 521 Ca -0.03 -0.23 -0.40 0.00 0.00 0.00 0.00 54.91 54.24 1dkz h ALA 521 Cb 1.32 -0.14 -0.24 0.00 0.00 0.00 0.00 17.79 18.73 1dkz h ALA 521 CO 0.14 0.47 0.06 0.09 0.00 0.00 0.00 179.25 180.01 1dkz n ASN 522 N -4.25 4.18 -0.15 0.00 3.02 0.64 -4.72 115.26 113.99 1dkz n ASN 522 Ca 0.01 -3.76 -0.04 0.00 -0.03 0.00 0.00 54.58 50.75 1dkz n ASN 522 Cb 0.28 -0.68 0.15 0.00 -0.61 0.00 0.00 39.78 38.92 1dkz n ASN 522 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dkz h ALA 523 N 1.44 1.12 -0.02 5.41 0.00 -1.33 -1.51 119.26 124.38 1dkz h ALA 523 Ca 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1dkz h ALA 523 Cb 1.64 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1dkz h ALA 523 CO 0.81 0.58 -0.06 1.05 0.00 0.00 0.00 179.25 181.63 1dkz h GLU 524 N 0.83 0.07 -1.00 0.00 4.11 -1.87 -2.15 114.58 114.58 1dkz h GLU 524 Ca 0.17 -0.05 0.10 0.00 0.07 0.00 0.00 59.36 59.65 1dkz h GLU 524 Cb 0.37 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.55 1dkz h GLU 524 CO 0.01 0.68 0.64 0.00 0.07 0.00 0.00 179.01 180.41 1dkz h ALA 525 N 0.39 1.49 -0.32 1.06 0.00 -1.90 -0.09 119.26 119.89 1dkz h ALA 525 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1dkz h ALA 525 Cb 0.69 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1dkz h ALA 525 CO 0.01 0.30 -0.23 -0.44 0.00 0.00 0.00 179.25 178.90 1dkz h ASP 526 N 1.06 0.62 -0.42 0.00 5.19 -1.25 -0.43 116.42 121.18 1dkz h ASP 526 Ca 0.47 -0.21 -0.05 0.00 -0.62 0.00 0.00 57.03 56.61 1dkz h ASP 526 Cb 0.37 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 1dkz h ASP 526 CO -0.23 0.84 0.05 -0.09 -3.12 0.00 0.00 179.24 176.70 1dkz h ARG 527 N 0.54 0.71 -0.43 3.56 2.43 -0.44 0.57 114.38 121.32 1dkz h ARG 527 Ca 0.08 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1dkz h ARG 527 Cb 0.68 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1dkz h ARG 527 CO 0.05 0.76 0.26 0.87 -1.51 0.00 0.00 179.97 180.40 1dkz h LYS 528 N 0.56 0.58 -0.61 0.20 1.79 -0.78 -1.13 116.57 117.19 1dkz h LYS 528 Ca 0.13 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.54 1dkz h LYS 528 Cb 0.40 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.90 1dkz h LYS 528 CO 0.01 0.43 0.35 0.35 -1.08 0.00 0.00 179.45 179.51 1dkz h PHE 529 N 0.57 0.83 -0.40 -1.35 3.57 -0.80 -0.96 116.94 118.40 1dkz h PHE 529 Ca 0.16 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1dkz h PHE 529 Cb -0.01 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.44 1dkz h PHE 529 CO -0.03 0.59 0.20 0.93 -2.23 0.00 0.00 178.31 177.76 1dkz h GLU 530 N 0.83 0.56 0.00 1.11 4.39 -0.44 -1.70 114.58 119.33 1dkz h GLU 530 Ca 0.22 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.76 1dkz h GLU 530 Cb 0.02 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1dkz h GLU 530 CO -0.04 0.48 -0.41 1.05 -1.16 0.00 0.00 179.01 178.93 1dkz h GLU 531 N 0.50 0.00 -0.21 2.33 4.11 -1.03 -1.28 114.58 119.01 1dkz h GLU 531 Ca 0.14 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.55 1dkz h GLU 531 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1dkz h GLU 531 CO -0.02 0.41 0.04 1.25 0.07 0.00 0.00 179.01 180.77 1dkz h LEU 532 N 0.00 0.33 -0.95 3.06 5.85 -0.72 -0.70 115.31 122.17 1dkz h LEU 532 Ca -0.00 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 1dkz h LEU 532 Cb 0.76 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1dkz h LEU 532 CO 0.05 0.48 0.04 0.58 -0.34 0.00 0.00 178.44 179.26 1dkz h VAL 533 N 0.15 1.24 -0.57 1.05 2.07 -1.10 0.18 116.25 119.26 1dkz h VAL 533 Ca 0.07 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1dkz h VAL 533 Cb 0.29 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1dkz h VAL 533 CO 0.00 0.34 0.32 -0.61 0.02 0.00 0.00 177.57 177.64 1dkz h GLN 534 N 0.76 0.79 -0.03 1.57 5.75 -0.96 0.14 115.11 123.14 1dkz h GLN 534 Ca 0.15 -0.09 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1dkz h GLN 534 Cb 0.40 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.79 1dkz h GLN 534 CO 0.01 0.60 0.00 1.15 -2.65 0.00 0.00 178.83 177.94 1dkz h THR 535 N 0.77 1.24 -0.66 2.39 2.02 -0.49 -1.24 112.91 116.95 1dkz h THR 535 Ca 0.20 -0.73 0.02 0.00 0.77 0.00 0.00 66.41 66.67 1dkz h THR 535 Cb 0.03 1.67 -0.04 0.00 -1.74 0.00 0.00 68.15 68.08 1dkz h THR 535 CO -0.03 0.20 0.42 0.03 0.37 0.00 0.00 175.52 176.50 1dkz h ARG 536 N -0.23 0.82 -0.45 6.66 -0.00 -0.46 -0.12 114.38 120.59 1dkz h ARG 536 Ca 0.01 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.98 59.34 1dkz h ARG 536 Cb 0.31 -0.18 -0.02 0.00 0.00 0.00 0.00 29.97 30.08 1dkz h ARG 536 CO 0.00 0.54 -0.14 -0.91 0.00 0.00 0.00 179.97 179.47 1dkz h ASN 537 N 0.84 0.83 -0.49 7.04 2.35 -0.65 -0.10 115.58 125.40 1dkz h ASN 537 Ca 0.26 -0.27 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 1dkz h ASN 537 Cb -0.03 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 1dkz h ASN 537 CO -0.08 0.97 -0.02 1.56 -1.65 0.00 0.00 177.43 178.21 1dkz h GLN 538 N 0.74 0.94 -0.47 0.81 4.20 -0.79 -1.58 115.11 118.96 1dkz h GLN 538 Ca 0.12 -0.29 -0.11 0.00 0.06 0.00 0.00 58.65 58.43 1dkz h GLN 538 Cb 0.64 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1dkz h GLN 538 CO 0.05 0.94 -0.14 0.78 -0.67 0.00 0.00 178.83 179.79 1dkz h GLY 539 N 0.99 0.99 1.01 3.46 0.00 -0.69 -1.68 103.07 107.16 1dkz h GLY 539 Ca 0.15 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1dkz h GLY 539 CO 0.03 0.76 0.55 -1.80 0.00 0.00 0.00 176.54 176.08 1dkz h ASP 540 N 0.76 1.03 -0.62 0.19 3.58 -0.76 0.18 116.42 120.79 1dkz h ASP 540 Ca 0.12 -0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.44 1dkz h ASP 540 Cb 0.69 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 1dkz h ASP 540 CO 0.05 0.78 0.11 -0.74 -2.88 0.00 0.00 179.24 176.56 1dkz h HIS 541 N 1.20 1.08 -0.16 0.28 2.76 -1.12 -0.30 115.15 118.88 1dkz h HIS 541 Ca 0.32 -0.15 -0.01 0.00 -2.20 0.00 0.00 60.37 58.33 1dkz h HIS 541 Cb -0.08 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.58 1dkz h HIS 541 CO -0.00 0.92 0.05 1.25 -1.30 0.00 0.00 177.93 178.85 1dkz h LEU 542 N 0.93 0.23 0.39 0.26 5.85 -0.59 0.14 115.31 122.51 1dkz h LEU 542 Ca 0.19 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1dkz h LEU 542 Cb 0.42 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1dkz h LEU 542 CO 0.01 0.36 -0.29 0.25 -0.34 0.00 0.00 178.44 178.44 1dkz h LEU 543 N 0.07 -0.74 -0.52 2.25 5.85 -0.54 -0.16 115.31 121.53 1dkz h LEU 543 Ca 0.05 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1dkz h LEU 543 Cb 0.22 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1dkz h LEU 543 CO -0.00 -0.44 0.33 -0.74 -0.34 0.00 0.00 178.44 177.25 1dkz h HIS 544 N -0.67 0.62 -0.07 1.25 2.76 -1.01 -2.13 115.15 115.91 1dkz h HIS 544 Ca -0.04 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1dkz h HIS 544 Cb 0.57 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 29.32 1dkz h HIS 544 CO -0.13 0.38 0.00 0.77 -1.30 0.00 0.00 177.93 177.65 1dkz h SER 545 N 0.67 0.11 -0.43 3.26 0.02 -0.65 -2.77 113.55 113.76 1dkz h SER 545 Ca 0.20 -0.30 0.06 0.00 -0.84 0.00 0.00 61.79 60.91 1dkz h SER 545 Cb -0.05 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.41 1dkz h SER 545 CO -0.06 0.38 0.14 0.74 -1.14 0.00 0.00 176.83 176.89 1dkz h THR 546 N -0.16 0.85 -0.99 -2.27 2.02 -0.95 -0.36 112.91 111.06 1dkz h THR 546 Ca 0.02 -0.10 0.07 0.00 0.77 0.00 0.00 66.41 67.17 1dkz h THR 546 Cb 0.32 0.52 -0.07 0.00 -1.74 0.00 0.00 68.15 67.19 1dkz h THR 546 CO 0.00 0.05 0.63 0.03 0.37 0.00 0.00 175.52 176.61 1dkz h ARG 547 N 0.30 1.10 -0.32 6.66 3.08 -1.37 0.38 114.38 124.22 1dkz h ARG 547 Ca 0.20 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 1dkz h ARG 547 Cb 0.20 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1dkz h ARG 547 CO -0.22 0.73 0.03 0.87 -1.07 0.00 0.00 179.97 180.31 1dkz h LYS 548 N 1.14 0.54 -0.51 0.04 1.57 -1.03 -2.78 116.57 115.54 1dkz h LYS 548 Ca 0.43 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 59.01 1dkz h LYS 548 Cb 0.19 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1dkz h LYS 548 CO -0.18 0.65 0.14 1.96 -0.57 0.00 0.00 179.45 181.45 1dkz h GLN 549 N 0.36 0.76 -0.40 3.15 4.20 -0.17 -1.36 115.11 121.65 1dkz h GLN 549 Ca 0.09 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1dkz h GLN 549 Cb 0.39 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1dkz h GLN 549 CO 0.01 0.67 0.17 0.28 -0.67 0.00 0.00 178.83 179.29 1dkz h VAL 550 N 0.74 1.19 0.57 -0.54 2.07 -0.81 0.32 116.25 119.79 1dkz h VAL 550 Ca 0.17 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 1dkz h VAL 550 Cb 0.25 0.82 0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1dkz h VAL 550 CO -0.01 0.21 -0.27 -0.33 0.02 0.00 0.00 177.57 177.19 1dkz h GLU 551 N 0.50 -0.74 -0.22 1.57 3.07 -1.24 -1.17 114.58 116.35 1dkz h GLU 551 Ca 0.13 0.05 0.06 0.00 -0.50 0.00 0.00 59.36 59.11 1dkz h GLU 551 Cb 0.16 0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 1dkz h GLU 551 CO -0.01 -0.46 0.25 1.05 -1.40 0.00 0.00 179.01 178.43 1dkz h GLU 552 N -0.84 0.00 0.19 2.33 4.11 -1.09 -1.25 114.58 118.03 1dkz h GLU 552 Ca -0.08 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.03 1dkz h GLU 552 Cb 0.62 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.88 1dkz h GLU 552 CO 0.13 0.00 -1.52 0.00 0.07 0.00 0.00 179.01 177.68 1dkz h ALA 553 N 1.72 0.04 -0.57 1.06 0.00 -0.50 -3.49 119.26 117.51 1dkz h ALA 553 Ca 0.11 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1dkz h ALA 553 Cb 0.60 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1dkz h ALA 553 CO -0.00 0.91 0.00 0.41 0.00 0.00 0.00 179.25 180.56 1dkz n GLY 554 N 1.72 2.75 0.13 0.00 0.00 -0.48 -1.05 105.19 108.25 1dkz n GLY 554 Ca -0.17 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 45.75 1dkz n GLY 554 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dkz n ASP 555 N 1.66 0.41 0.17 1.61 8.00 -1.26 -1.18 116.55 125.95 1dkz n ASP 555 Ca 0.00 0.67 0.03 0.00 0.71 0.00 0.00 54.79 56.21 1dkz n ASP 555 Cb 0.00 -0.71 0.41 0.00 -0.02 0.00 0.00 41.12 40.80 1dkz n ASP 555 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1dkz h LYS 556 N 0.00 0.11 -6.01 -1.24 1.57 -1.47 -3.41 116.57 106.11 1dkz h LYS 556 Ca 0.00 -0.03 -0.59 0.00 -1.87 0.00 0.00 60.65 58.17 1dkz h LYS 556 Cb 0.09 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.31 1dkz h LYS 556 CO 0.00 0.32 0.66 -1.17 -0.57 0.00 0.00 179.45 178.69 1dkz s LEU 557 N -8.59 4.05 0.57 2.94 2.96 -0.33 -5.02 118.68 115.26 1dkz s LEU 557 Ca -0.04 1.07 -0.20 0.00 -0.22 0.00 0.00 54.13 54.74 1dkz s LEU 557 Cb 0.15 -3.37 -0.05 0.00 0.50 0.00 0.00 46.19 43.42 1dkz s LEU 557 CO 0.72 -0.68 1.09 -2.65 -1.32 0.00 0.00 176.35 173.51 1dkz n PRO 558 N 6.37 1.17 -0.11 0.98 -0.02 -1.26 -4.76 135.00 137.37 1dkz n PRO 558 Ca 0.09 0.44 -0.07 0.00 -2.02 0.00 0.00 63.50 61.94 1dkz n PRO 558 Cb 0.47 -2.28 0.01 0.00 -0.02 0.00 0.00 33.50 31.69 1dkz n PRO 558 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dkz h ALA 559 N 0.87 0.45 -0.37 3.55 0.00 -1.95 -1.30 119.26 120.51 1dkz h ALA 559 Ca -0.49 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.51 1dkz h ALA 559 Cb 1.34 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 1dkz h ALA 559 CO 0.53 -0.19 -0.03 -0.44 0.00 0.00 0.00 179.25 179.12 1dkz h ASP 560 N 0.36 -0.21 -0.14 0.00 3.32 -2.00 -1.21 116.42 116.55 1dkz h ASP 560 Ca 0.15 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1dkz h ASP 560 Cb 0.07 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1dkz h ASP 560 CO -0.11 -0.06 0.09 0.44 -1.72 0.00 0.00 179.24 177.87 1dkz h ASP 561 N 0.07 0.16 -0.06 6.45 5.19 -1.84 -2.30 116.42 124.09 1dkz h ASP 561 Ca 0.18 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.55 1dkz h ASP 561 Cb 0.26 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.72 1dkz h ASP 561 CO -0.33 0.13 -0.02 0.50 -3.12 0.00 0.00 179.24 176.40 1dkz h LYS 562 N 0.17 0.24 -0.16 3.56 3.64 -0.84 -0.26 116.57 122.92 1dkz h LYS 562 Ca 0.05 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1dkz h LYS 562 Cb -0.00 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1dkz h LYS 562 CO -0.01 0.29 -0.10 1.15 -2.27 0.00 0.00 179.45 178.51 1dkz h THR 563 N 0.24 1.32 -0.07 1.00 2.02 -0.95 -1.34 112.91 115.13 1dkz h THR 563 Ca 0.06 -1.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.05 1dkz h THR 563 Cb 0.21 1.76 -0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1dkz h THR 563 CO 0.01 0.35 0.02 0.00 0.37 0.00 0.00 175.52 176.27 1dkz h ALA 564 N 0.66 0.09 -0.18 6.16 0.00 -1.01 -2.39 119.26 122.58 1dkz h ALA 564 Ca 0.03 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1dkz h ALA 564 Cb 0.59 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1dkz h ALA 564 CO 0.03 -0.31 -0.06 0.82 0.00 0.00 0.00 179.25 179.72 1dkz h ILE 565 N -0.07 0.79 0.00 0.00 2.04 -1.10 -1.38 117.51 117.79 1dkz h ILE 565 Ca 0.02 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.82 1dkz h ILE 565 Cb 0.19 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1dkz h ILE 565 CO -0.00 0.00 -0.30 -0.33 0.00 0.00 0.00 178.15 177.52 1dkz h GLU 566 N -0.02 0.00 -0.15 2.37 5.08 -1.19 -0.22 114.58 120.45 1dkz h GLU 566 Ca 0.09 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 1dkz h GLU 566 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1dkz h GLU 566 CO -0.20 0.30 -0.21 0.77 -1.00 0.00 0.00 179.01 178.67 1dkz h SER 567 N 0.00 0.45 -0.10 1.42 0.02 -1.05 -2.04 113.55 112.25 1dkz h SER 567 Ca -0.00 -0.52 -0.03 0.00 -0.84 0.00 0.00 61.79 60.40 1dkz h SER 567 Cb 0.64 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1dkz h SER 567 CO 0.04 0.88 0.00 0.00 -1.14 0.00 0.00 176.83 176.62 1dkz h ALA 568 N 0.58 1.66 -0.21 3.77 0.00 -0.81 -0.46 119.26 123.79 1dkz h ALA 568 Ca 0.02 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1dkz h ALA 568 Cb 0.78 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1dkz h ALA 568 CO 0.05 0.26 -0.44 -0.07 0.00 0.00 0.00 179.25 179.05 1dkz h LEU 569 N 0.27 0.75 -0.62 0.00 3.38 -0.94 -0.14 115.31 118.00 1dkz h LEU 569 Ca 0.06 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 1dkz h LEU 569 Cb 0.18 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1dkz h LEU 569 CO 0.00 1.16 0.26 0.74 0.09 0.00 0.00 178.44 180.70 1dkz h THR 570 N 0.36 1.23 -0.59 0.22 2.02 -0.60 -0.08 112.91 115.47 1dkz h THR 570 Ca 0.00 -0.70 -0.03 0.00 0.77 0.00 0.00 66.41 66.45 1dkz h THR 570 Cb 1.05 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 1dkz h THR 570 CO 0.10 0.28 0.23 0.00 0.37 0.00 0.00 175.52 176.50 1dkz h ALA 571 N 1.10 0.76 -0.26 6.16 0.00 -1.03 -1.98 119.26 124.01 1dkz h ALA 571 Ca 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1dkz h ALA 571 Cb 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1dkz h ALA 571 CO -0.02 0.38 0.14 1.25 0.00 0.00 0.00 179.25 181.00 1dkz h LEU 572 N 0.81 0.33 -1.56 0.00 5.85 -0.63 -1.54 115.31 118.57 1dkz h LEU 572 Ca 0.20 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1dkz h LEU 572 Cb 0.20 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1dkz h LEU 572 CO -0.02 0.33 0.23 -0.08 -0.34 0.00 0.00 178.44 178.56 1dkz h GLU 573 N 0.31 0.52 -0.27 1.25 4.81 -0.76 -0.35 114.58 120.08 1dkz h GLU 573 Ca 0.09 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 1dkz h GLU 573 Cb 0.07 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1dkz h GLU 573 CO -0.01 0.37 -0.15 1.15 -0.73 0.00 0.00 179.01 179.64 1dkz h THR 574 N 0.53 1.30 -0.63 0.32 2.02 -0.98 -3.17 112.91 112.30 1dkz h THR 574 Ca 0.14 -1.25 0.02 0.00 0.77 0.00 0.00 66.41 66.08 1dkz h THR 574 Cb -0.01 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 1dkz h THR 574 CO -0.03 0.40 0.40 0.00 0.37 0.00 0.00 175.52 176.66 1dkz h ALA 575 N 0.73 0.81 -0.15 6.16 0.00 -0.30 -1.59 119.26 124.92 1dkz h ALA 575 Ca 0.06 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1dkz h ALA 575 Cb 0.67 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1dkz h ALA 575 CO 0.04 0.18 0.18 -0.07 0.00 0.00 0.00 179.25 179.59 1dkz h LEU 576 N 0.81 0.00 0.00 0.00 3.38 -1.08 0.74 115.31 119.16 1dkz h LEU 576 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1dkz h LEU 576 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1dkz h LEU 576 CO -0.08 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.74 1dkz n LYS 577 N -3.73 0.27 -0.80 1.13 5.02 -0.60 -4.86 118.16 114.59 1dkz n LYS 577 Ca 0.01 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1dkz n LYS 577 Cb 0.29 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 1dkz n LYS 577 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dkz n GLY 578 N 1.10 3.32 0.01 0.72 0.00 0.25 -5.06 105.19 105.53 1dkz n GLY 578 Ca 0.11 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1dkz n GLY 578 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dkz n GLU 579 N -0.37 1.39 -2.83 1.61 -0.58 -1.26 -4.98 120.64 113.62 1dkz n GLU 579 Ca 0.00 -1.11 -0.43 0.00 -0.42 0.00 0.00 57.16 55.20 1dkz n GLU 579 Cb 0.00 -1.00 -0.04 0.00 -0.57 0.00 0.00 31.44 29.82 1dkz n GLU 579 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1dkz s ASP 580 N -0.60 6.32 0.17 1.62 -1.08 -1.26 -4.92 116.67 116.92 1dkz s ASP 580 Ca 0.00 -0.43 -0.13 0.00 -0.52 0.00 0.00 52.55 51.48 1dkz s ASP 580 Cb 0.00 -2.44 0.07 0.00 -1.46 0.00 0.00 42.92 39.10 1dkz s ASP 580 CO 0.00 -1.26 1.78 0.50 0.52 0.00 0.00 175.17 176.71 1dkz h LYS 581 N 9.36 0.80 -0.77 4.34 3.64 -1.95 -1.96 116.57 130.03 1dkz h LYS 581 Ca -0.26 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.00 1dkz h LYS 581 Cb 1.07 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.70 1dkz h LYS 581 CO 1.10 0.61 0.39 0.00 -2.27 0.00 0.00 179.45 179.29 1dkz h ALA 582 N 1.14 1.24 -0.63 5.00 0.00 -1.99 -0.27 119.26 123.76 1dkz h ALA 582 Ca 0.20 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1dkz h ALA 582 Cb 0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1dkz h ALA 582 CO -0.03 0.59 0.09 0.00 0.00 0.00 0.00 179.25 179.90 1dkz h ALA 583 N 1.35 0.83 -0.26 0.00 0.00 -1.87 0.16 119.26 119.48 1dkz h ALA 583 Ca 0.27 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1dkz h ALA 583 Cb 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1dkz h ALA 583 CO -0.04 0.60 0.07 0.82 0.00 0.00 0.00 179.25 180.70 1dkz h ILE 584 N 0.95 1.21 -0.46 0.00 2.04 -0.88 -1.92 117.51 118.46 1dkz h ILE 584 Ca 0.19 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 1dkz h ILE 584 Cb 0.45 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 1dkz h ILE 584 CO 0.01 0.22 0.15 -0.33 0.00 0.00 0.00 178.15 178.21 1dkz h GLU 585 N 0.24 0.66 -0.49 2.37 5.08 -0.75 -1.17 114.58 120.53 1dkz h GLU 585 Ca 0.08 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1dkz h GLU 585 Cb 0.27 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1dkz h GLU 585 CO 0.00 0.57 0.15 0.00 -1.00 0.00 0.00 179.01 178.73 1dkz h ALA 586 N 1.52 0.64 -0.02 3.43 0.00 -0.30 -0.52 119.26 124.00 1dkz h ALA 586 Ca 0.15 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1dkz h ALA 586 Cb 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1dkz h ALA 586 CO -0.01 0.30 -0.64 0.87 0.00 0.00 0.00 179.25 179.77 1dkz h LYS 587 N 0.66 0.09 -0.35 0.00 1.79 -0.89 -1.14 116.57 116.73 1dkz h LYS 587 Ca 0.16 -0.07 -0.13 0.00 -2.18 0.00 0.00 60.65 58.43 1dkz h LYS 587 Cb 0.28 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1dkz h LYS 587 CO -0.00 0.70 -0.30 0.52 -1.08 0.00 0.00 179.45 179.28 1dkz h MET 588 N 0.06 0.75 -0.24 3.15 2.86 -0.97 -1.81 114.93 118.73 1dkz h MET 588 Ca -0.01 -0.34 -0.02 0.00 -2.06 0.00 0.00 59.70 57.27 1dkz h MET 588 Cb 1.14 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 1dkz h MET 588 CO 0.09 0.96 0.07 0.37 1.06 0.00 0.00 176.91 179.46 1dkz h GLN 589 N 0.64 0.37 -0.35 1.72 4.15 -0.78 0.04 115.11 120.89 1dkz h GLN 589 Ca 0.07 -0.08 0.03 0.00 0.77 0.00 0.00 58.65 59.44 1dkz h GLN 589 Cb 0.83 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.43 1dkz h GLN 589 CO 0.07 0.45 0.18 1.49 -1.93 0.00 0.00 178.83 179.09 1dkz h GLU 590 N 0.21 0.35 -0.71 1.69 4.81 -1.11 -0.31 114.58 119.52 1dkz h GLU 590 Ca 0.08 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1dkz h GLU 590 Cb 0.24 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.49 1dkz h GLU 590 CO -0.00 0.23 0.43 1.25 -0.73 0.00 0.00 179.01 180.19 1dkz h LEU 591 N 0.36 0.67 -1.39 1.64 5.85 -1.13 -1.22 115.31 120.08 1dkz h LEU 591 Ca 0.15 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 1dkz h LEU 591 Cb 0.06 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1dkz h LEU 591 CO -0.10 0.44 -0.26 0.00 -0.34 0.00 0.00 178.44 178.17 1dkz h ALA 592 N 1.34 1.50 0.00 1.25 0.00 -0.40 -1.58 119.26 121.38 1dkz h ALA 592 Ca 0.30 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1dkz h ALA 592 Cb 0.12 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1dkz h ALA 592 CO -0.15 0.37 -0.59 1.96 0.00 0.00 0.00 179.25 180.83 1dkz h GLN 593 N 0.05 0.00 -0.02 0.00 4.20 0.05 -3.34 115.11 116.05 1dkz h GLN 593 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1dkz h GLN 593 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1dkz h GLN 593 CO 0.04 0.59 -0.04 1.33 -0.67 0.00 0.00 178.83 180.08 1dkz n VAL 594 N -3.34 0.00 0.31 -0.54 0.24 -0.63 -4.56 118.33 109.79 1dkz n VAL 594 Ca 0.01 -0.48 0.11 0.00 -2.04 0.00 0.00 64.34 61.94 1dkz n VAL 594 Cb 0.73 1.29 0.26 0.00 -1.47 0.00 0.00 33.84 34.65 1dkz n VAL 594 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1dkz n SER 595 N 0.70 3.19 -0.27 -1.34 7.64 -0.61 -4.62 113.62 118.31 1dkz n SER 595 Ca 0.08 -1.96 0.07 0.00 1.01 0.00 0.00 58.87 58.07 1dkz n SER 595 Cb 0.36 -0.30 0.21 0.00 -1.01 0.00 0.00 64.21 63.47 1dkz n SER 595 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1dkz h GLN 596 N 3.86 0.39 -0.38 1.43 4.15 -1.80 0.86 115.11 123.62 1dkz h GLN 596 Ca 0.00 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.29 1dkz h GLN 596 Cb 0.86 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 1dkz h GLN 596 CO 0.00 0.26 -0.18 -0.22 -1.93 0.00 0.00 178.83 176.76 1dkz h LYS 597 N 0.41 0.79 -0.29 1.69 1.63 -1.97 -2.17 116.57 116.66 1dkz h LYS 597 Ca 0.44 -0.34 0.02 0.00 -0.85 0.00 0.00 60.65 59.91 1dkz h LYS 597 Cb 0.72 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.31 1dkz h LYS 597 CO -0.45 0.97 0.15 1.25 -3.45 0.00 0.00 179.45 177.92 1dkz h LEU 598 N 0.59 0.23 -1.12 5.20 6.46 -1.57 -1.31 115.31 123.79 1dkz h LEU 598 Ca 0.08 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.88 1dkz h LEU 598 Cb 0.73 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.57 1dkz h LEU 598 CO 0.05 0.17 0.60 0.24 -0.62 0.00 0.00 178.44 178.89 1dkz h MET 599 N 0.32 1.13 -0.21 1.25 2.86 -0.77 0.24 114.93 119.75 1dkz h MET 599 Ca 0.12 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1dkz h MET 599 Cb 0.02 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 1dkz h MET 599 CO -0.07 0.75 0.07 1.49 1.06 0.00 0.00 176.91 180.21 1dkz h GLU 600 N 1.17 0.32 0.08 1.72 4.81 -0.76 -0.28 114.58 121.63 1dkz h GLU 600 Ca 0.35 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1dkz h GLU 600 Cb -0.02 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1dkz h GLU 600 CO -0.10 0.40 -0.04 0.82 -0.73 0.00 0.00 179.01 179.36 1dkz h ILE 601 N 0.18 1.08 -0.72 2.32 2.04 -0.66 -3.00 117.51 118.74 1dkz h ILE 601 Ca 0.07 -0.57 0.04 0.00 1.00 0.00 0.00 64.86 65.40 1dkz h ILE 601 Cb 0.21 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 1dkz h ILE 601 CO -0.00 0.14 0.47 0.00 0.00 0.00 0.00 178.15 178.76 1dkz h ALA 602 N 0.52 1.62 0.00 1.87 0.00 -0.53 -3.51 119.26 119.24 1dkz h ALA 602 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1dkz h ALA 602 Cb 0.31 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1dkz h ALA 602 CO 0.02 0.30 0.00 0.94 0.00 0.00 0.00 179.25 180.50