#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dk5 n MET 409 N 0.00 0.59 -0.47 -0.41 0.00 -1.26 -4.64 117.12 110.92 1dk5 n MET 409 Ca 0.00 0.40 -0.29 0.00 0.00 0.00 0.00 57.70 57.81 1dk5 n MET 409 Cb 0.00 -1.61 0.27 0.00 0.00 0.00 0.00 33.22 31.88 1dk5 n MET 409 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1dk5 s ALA 410 N -2.45 -0.71 0.00 3.04 0.00 -0.99 -0.96 121.76 119.69 1dk5 s ALA 410 Ca -0.34 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1dk5 s ALA 410 Cb 0.11 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1dk5 s ALA 410 CO 0.55 -4.14 0.00 -1.13 0.00 0.00 0.00 175.76 171.04 1dk5 n SER 411 N -5.17 4.90 -4.66 0.00 3.41 0.16 -3.91 113.62 108.36 1dk5 n SER 411 Ca 0.05 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.20 1dk5 n SER 411 Cb 0.56 0.87 -0.03 0.00 -0.26 0.00 0.00 64.21 65.35 1dk5 n SER 411 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1dk5 n LEU 412 N -1.58 2.90 -4.15 1.04 7.94 -0.98 -4.00 117.00 118.16 1dk5 n LEU 412 Ca 0.00 1.14 -0.32 0.00 -1.11 0.00 0.00 56.01 55.72 1dk5 n LEU 412 Cb 0.11 -1.40 -0.17 0.00 0.53 0.00 0.00 43.42 42.49 1dk5 n LEU 412 CO 0.00 -0.59 -0.54 0.42 -1.11 0.00 0.00 177.39 175.57 1dk5 s THR 413 N -0.04 1.99 -0.12 1.96 -4.23 -1.26 -5.02 115.64 108.91 1dk5 s THR 413 Ca 0.69 -0.94 -0.04 0.00 -1.18 0.00 0.00 61.69 60.23 1dk5 s THR 413 Cb -0.68 -1.76 -0.04 0.00 1.34 0.00 0.00 72.50 71.37 1dk5 s THR 413 CO 0.50 0.54 0.03 0.54 -0.54 0.00 0.00 174.62 175.69 1dk5 s VAL 414 N 0.84 4.58 1.07 2.29 0.11 -1.26 -4.32 120.40 123.70 1dk5 s VAL 414 Ca -0.07 -0.14 -0.16 0.00 -2.93 0.00 0.00 61.98 58.68 1dk5 s VAL 414 Cb -0.15 -2.97 0.09 0.00 -1.53 0.00 0.00 36.38 31.81 1dk5 s VAL 414 CO -0.02 0.57 0.19 -2.65 -3.33 0.00 0.00 175.10 169.86 1dk5 n PRO 415 N 2.55 -1.20 0.00 1.54 -0.02 -1.26 -4.98 135.00 131.64 1dk5 n PRO 415 Ca -0.18 -0.32 0.00 0.00 -2.02 0.00 0.00 63.50 60.97 1dk5 n PRO 415 Cb 0.53 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 1dk5 n PRO 415 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dk5 n ALA 416 N -4.18 0.00 -2.67 3.55 0.00 -1.26 -4.29 120.51 111.67 1dk5 n ALA 416 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.10 1dk5 n ALA 416 Cb 0.59 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.95 1dk5 n ALA 416 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1dk5 s HIS 417 N 0.00 3.34 0.14 0.00 5.65 -1.26 -5.04 115.29 118.13 1dk5 s HIS 417 Ca 0.00 0.37 -0.30 0.00 0.25 0.00 0.00 55.06 55.38 1dk5 s HIS 417 Cb 0.00 -2.35 -0.07 0.00 -1.18 0.00 0.00 32.58 28.98 1dk5 s HIS 417 CO 0.00 0.05 1.01 0.08 -0.65 0.00 0.00 174.74 175.23 1dk5 s VAL 418 N 1.10 4.25 0.80 0.89 1.01 -1.26 -5.05 120.40 122.14 1dk5 s VAL 418 Ca 0.12 1.92 -0.13 0.00 0.00 0.00 0.00 61.98 63.88 1dk5 s VAL 418 Cb -0.14 -4.22 0.08 0.00 0.00 0.00 0.00 36.38 32.10 1dk5 s VAL 418 CO 0.05 0.32 1.21 -2.84 0.00 0.00 0.00 175.10 173.84 1dk5 s PRO 419 N -0.20 1.69 0.43 2.72 0.02 -1.26 -4.98 135.00 133.41 1dk5 s PRO 419 Ca 0.47 1.76 -0.22 0.00 0.02 0.00 0.00 61.00 63.03 1dk5 s PRO 419 Cb -0.26 -1.78 -0.10 0.00 0.02 0.00 0.00 34.50 32.38 1dk5 s PRO 419 CO 0.32 -2.18 0.99 -1.54 -0.33 0.00 0.00 177.00 174.26 1dk5 s SER 420 N -2.15 6.81 0.11 2.53 1.04 -1.26 -4.86 113.70 115.91 1dk5 s SER 420 Ca 0.73 1.82 -0.31 0.00 0.48 0.00 0.00 55.95 58.67 1dk5 s SER 420 Cb -0.29 -2.56 -0.11 0.00 0.10 0.00 0.00 66.02 63.17 1dk5 s SER 420 CO 0.50 -0.45 1.59 0.00 0.98 0.00 0.00 173.24 175.86 1dk5 h ALA 421 N 2.07 -0.76 -0.99 5.32 0.00 -1.93 0.42 119.26 123.39 1dk5 h ALA 421 Ca -0.49 -0.09 0.22 0.00 0.00 0.00 0.00 54.91 54.56 1dk5 h ALA 421 Cb 1.20 0.64 -0.19 0.00 0.00 0.00 0.00 17.79 19.45 1dk5 h ALA 421 CO 0.61 -0.98 -0.15 0.00 0.00 0.00 0.00 179.25 178.73 1dk5 h ALA 422 N -0.22 0.84 0.58 0.00 0.00 -1.92 0.73 119.26 119.27 1dk5 h ALA 422 Ca 0.01 0.37 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 1dk5 h ALA 422 Cb 0.68 0.69 0.01 0.00 0.00 0.00 0.00 17.79 19.17 1dk5 h ALA 422 CO -0.19 -0.45 -0.28 0.93 0.00 0.00 0.00 179.25 179.26 1dk5 h GLU 423 N 0.00 -0.76 -0.81 0.00 5.08 -1.71 -0.13 114.58 116.26 1dk5 h GLU 423 Ca 0.52 0.05 0.20 0.00 -1.00 0.00 0.00 59.36 59.13 1dk5 h GLU 423 Cb 0.91 0.17 -0.14 0.00 0.50 0.00 0.00 28.75 30.20 1dk5 h GLU 423 CO -0.98 -0.47 0.10 -0.44 -1.00 0.00 0.00 179.01 176.21 1dk5 h ASP 424 N -0.87 -0.20 0.48 1.42 3.45 0.20 0.47 116.42 121.37 1dk5 h ASP 424 Ca -0.08 0.20 -0.02 0.00 0.43 0.00 0.00 57.03 57.55 1dk5 h ASP 424 Cb 0.63 0.31 0.00 0.00 -0.56 0.00 0.00 39.33 39.72 1dk5 h ASP 424 CO 0.13 -0.16 -0.23 0.00 -1.57 0.00 0.00 179.24 177.40 1dk5 h GLU 426 N -0.79 -0.03 -0.80 0.00 5.08 -0.44 1.92 114.58 119.51 1dk5 h GLU 426 Ca -0.07 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.45 1dk5 h GLU 426 Cb 0.50 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.66 1dk5 h GLU 426 CO 0.11 -0.02 0.34 0.37 -1.00 0.00 0.00 179.01 178.81 1dk5 h GLN 427 N -0.04 0.46 0.03 2.33 4.15 -0.03 -2.27 115.11 119.74 1dk5 h GLN 427 Ca 0.23 -0.03 -0.24 0.00 0.77 0.00 0.00 58.65 59.38 1dk5 h GLN 427 Cb 0.50 -0.10 0.02 0.00 0.21 0.00 0.00 27.48 28.11 1dk5 h GLN 427 CO -0.92 0.30 -0.96 1.25 -1.93 0.00 0.00 178.83 176.57 1dk5 h LEU 428 N 0.47 0.79 -0.00 -2.39 5.85 0.75 -3.36 115.31 117.42 1dk5 h LEU 428 Ca 0.45 -0.77 0.01 0.00 0.84 0.00 0.00 57.88 58.41 1dk5 h LEU 428 Cb 0.70 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1dk5 h LEU 428 CO -0.42 1.46 -0.17 -0.09 -0.34 0.00 0.00 178.44 178.88 1dk5 h ARG 429 N 0.21 -0.21 -1.95 1.25 2.43 0.30 -0.63 114.38 115.78 1dk5 h ARG 429 Ca -0.13 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1dk5 h ARG 429 Cb 1.64 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.23 1dk5 h ARG 429 CO 0.19 -0.14 0.00 -1.13 -1.51 0.00 0.00 179.97 177.38 1dk5 n SER 430 N -3.45 0.17 0.00 -3.80 3.41 -1.01 -1.41 113.62 107.52 1dk5 n SER 430 Ca -0.02 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 1dk5 n SER 430 Cb 0.13 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1dk5 n SER 430 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dk5 n ALA 431 N 1.06 1.87 1.65 7.33 0.00 -0.25 -4.48 120.51 127.69 1dk5 n ALA 431 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1dk5 n ALA 431 Cb 0.03 0.22 0.73 0.00 0.00 0.00 0.00 19.45 20.43 1dk5 n ALA 431 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1dk5 n PHE 432 N -1.81 0.00 0.00 0.00 3.72 -0.50 -3.21 117.46 115.67 1dk5 n PHE 432 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1dk5 n PHE 432 Cb 0.43 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 1dk5 n PHE 432 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1dk5 n LYS 433 N -0.78 0.00 -0.61 -1.08 2.85 -1.24 -4.57 118.16 112.73 1dk5 n LYS 433 Ca 0.19 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.45 1dk5 n LYS 433 Cb 0.23 -1.67 0.00 0.00 -0.65 0.00 0.00 35.03 32.94 1dk5 n LYS 433 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1dk5 n GLY 434 N -0.69 1.81 3.38 2.58 0.00 -1.26 -5.06 105.19 105.94 1dk5 n GLY 434 Ca 0.00 -0.80 -0.45 0.00 0.00 0.00 0.00 46.02 44.77 1dk5 n GLY 434 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1dk5 s TRP 435 N -4.28 3.91 0.00 1.61 -0.11 -1.26 -4.09 118.94 114.72 1dk5 s TRP 435 Ca 0.00 -2.34 0.00 0.00 1.22 0.00 0.00 56.10 54.98 1dk5 s TRP 435 Cb 0.00 -4.00 0.00 0.00 -1.50 0.00 0.00 33.47 27.97 1dk5 s TRP 435 CO 0.00 -1.12 0.00 0.41 -4.62 0.00 0.00 176.95 171.62 1dk5 n GLY 436 N 3.48 0.84 0.16 5.86 0.00 -1.26 -5.02 105.19 109.24 1dk5 n GLY 436 Ca 0.26 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1dk5 n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dk5 h THR 437 N 0.00 1.15 0.00 2.61 1.03 -1.83 -3.38 112.91 112.49 1dk5 h THR 437 Ca 0.00 -0.42 -0.00 0.00 -0.01 0.00 0.00 66.41 65.98 1dk5 h THR 437 Cb 0.00 0.85 -0.01 0.00 -1.07 0.00 0.00 68.15 67.92 1dk5 h THR 437 CO 0.00 0.15 -0.24 0.59 -0.01 0.00 0.00 175.52 176.01 1dk5 n ASN 438 N -4.77 1.33 -0.13 0.00 5.03 -1.20 -4.91 115.26 110.61 1dk5 n ASN 438 Ca -0.01 -2.63 -0.03 0.00 0.87 0.00 0.00 54.58 52.77 1dk5 n ASN 438 Cb 0.10 -0.33 -0.03 0.00 -1.02 0.00 0.00 39.78 38.49 1dk5 n ASN 438 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1dk5 n GLU 439 N -0.80 -0.13 -0.09 3.52 1.02 -1.26 0.30 120.64 123.20 1dk5 n GLU 439 Ca 0.09 0.48 0.25 0.00 -0.02 0.00 0.00 57.16 57.97 1dk5 n GLU 439 Cb 0.68 -0.71 0.72 0.00 -0.02 0.00 0.00 31.44 32.10 1dk5 n GLU 439 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1dk5 h LYS 440 N 0.00 0.00 0.03 3.49 3.11 -1.94 0.25 116.57 121.51 1dk5 h LYS 440 Ca 0.06 0.00 -0.23 0.00 -2.81 0.00 0.00 60.65 57.67 1dk5 h LYS 440 Cb 0.14 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.35 1dk5 h LYS 440 CO -0.30 0.00 -1.06 1.25 -2.81 0.00 0.00 179.45 176.53 1dk5 h LEU 441 N 0.00 0.12 0.26 5.20 6.46 0.42 -2.81 115.31 124.95 1dk5 h LEU 441 Ca 0.35 -0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.97 1dk5 h LEU 441 Cb 1.47 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.37 1dk5 h LEU 441 CO -0.00 1.09 -0.13 0.40 -0.62 0.00 0.00 178.44 179.18 1dk5 h ILE 442 N 0.02 0.72 -0.09 4.05 2.04 -0.18 -3.18 117.51 120.89 1dk5 h ILE 442 Ca -0.04 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 65.04 1dk5 h ILE 442 Cb 1.81 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 1dk5 h ILE 442 CO 0.15 0.15 -0.08 0.40 0.00 0.00 0.00 178.15 178.76 1dk5 h ILE 443 N -0.81 0.00 0.00 -0.67 2.04 -1.41 0.31 117.51 116.97 1dk5 h ILE 443 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1dk5 h ILE 443 Cb 0.51 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1dk5 h ILE 443 CO 0.06 0.00 0.99 -1.54 0.00 0.00 0.00 178.15 177.66 1dk5 n SER 444 N -3.19 0.00 -0.05 1.72 3.41 -1.06 0.30 113.62 114.76 1dk5 n SER 444 Ca -0.00 0.50 -0.07 0.00 -0.26 0.00 0.00 58.87 59.03 1dk5 n SER 444 Cb 0.05 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1dk5 n SER 444 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1dk5 n ILE 445 N -2.49 1.39 -0.19 -1.33 5.41 -0.21 -4.62 119.36 117.32 1dk5 n ILE 445 Ca 0.00 0.19 0.06 0.00 1.00 0.00 0.00 62.75 64.00 1dk5 n ILE 445 Cb 0.99 -2.08 0.33 0.00 -0.71 0.00 0.00 39.64 38.18 1dk5 n ILE 445 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1dk5 h LEU 446 N -0.68 0.70 -0.65 1.39 3.38 -0.36 -2.60 115.31 116.50 1dk5 h LEU 446 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1dk5 h LEU 446 Cb 0.73 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1dk5 h LEU 446 CO -0.02 0.46 0.00 0.00 0.09 0.00 0.00 178.44 178.97 1dk5 n ALA 447 N -2.44 2.42 -2.72 1.53 0.00 0.15 -3.22 120.51 116.23 1dk5 n ALA 447 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.53 1dk5 n ALA 447 Cb 0.20 -1.00 0.09 0.00 0.00 0.00 0.00 19.45 18.75 1dk5 n ALA 447 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1dk5 n HIS 448 N -0.15 -0.67 -4.39 0.00 8.25 -0.98 -4.48 115.22 112.79 1dk5 n HIS 448 Ca 0.00 -1.84 -0.19 0.00 -0.26 0.00 0.00 57.72 55.43 1dk5 n HIS 448 Cb 0.15 0.80 -0.14 0.00 1.12 0.00 0.00 29.99 31.92 1dk5 n HIS 448 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1dk5 s ARG 449 N -1.44 0.81 0.79 -0.41 1.81 -1.20 -4.14 118.95 115.18 1dk5 s ARG 449 Ca 0.16 -0.45 -0.11 0.00 -1.72 0.00 0.00 55.73 53.62 1dk5 s ARG 449 Cb 0.39 -0.78 0.08 0.00 -0.45 0.00 0.00 34.95 34.18 1dk5 s ARG 449 CO -0.09 0.21 1.15 0.95 -0.68 0.00 0.00 175.30 176.84 1dk5 s THR 450 N -0.40 2.05 0.50 0.02 -4.23 -1.26 -4.70 115.64 107.62 1dk5 s THR 450 Ca 0.03 -0.06 0.30 0.00 -1.18 0.00 0.00 61.69 60.78 1dk5 s THR 450 Cb -0.05 -3.00 0.49 0.00 1.34 0.00 0.00 72.50 71.28 1dk5 s THR 450 CO -0.00 0.00 1.82 0.00 -0.54 0.00 0.00 174.62 175.90 1dk5 h ALA 451 N -0.98 2.79 0.00 3.99 0.00 -1.97 0.98 119.26 124.07 1dk5 h ALA 451 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1dk5 h ALA 451 Cb 1.32 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1dk5 h ALA 451 CO 0.64 -1.13 -1.72 0.00 0.00 0.00 0.00 179.25 177.05 1dk5 n ALA 452 N -2.67 2.82 0.01 0.00 0.00 -1.26 -3.35 120.51 116.05 1dk5 n ALA 452 Ca 0.24 -0.43 -0.13 0.00 0.00 0.00 0.00 53.44 53.12 1dk5 n ALA 452 Cb 1.06 -0.61 -0.10 0.00 0.00 0.00 0.00 19.45 19.80 1dk5 n ALA 452 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1dk5 h GLN 453 N 0.00 -0.08 -0.91 0.00 4.20 -1.66 0.48 115.11 117.15 1dk5 h GLN 453 Ca 0.00 0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.84 1dk5 h GLN 453 Cb 0.78 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.50 1dk5 h GLN 453 CO 0.00 0.44 0.58 0.00 -0.67 0.00 0.00 178.83 179.19 1dk5 h ARG 454 N -0.66 0.79 0.26 1.46 3.08 -1.03 0.27 114.38 118.55 1dk5 h ARG 454 Ca -0.01 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1dk5 h ARG 454 Cb 0.56 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1dk5 h ARG 454 CO 0.01 0.53 -0.12 -0.22 -1.07 0.00 0.00 179.97 179.10 1dk5 h LYS 455 N 0.82 -0.33 -1.00 0.04 3.64 -1.51 -1.61 116.57 116.62 1dk5 h LYS 455 Ca 0.44 0.02 0.28 0.00 -1.27 0.00 0.00 60.65 60.12 1dk5 h LYS 455 Cb 0.55 0.08 -0.13 0.00 -0.41 0.00 0.00 32.23 32.31 1dk5 h LYS 455 CO -0.20 0.02 0.58 1.25 -2.27 0.00 0.00 179.45 178.83 1dk5 h LEU 456 N -0.79 0.61 0.37 5.20 5.85 0.70 0.38 115.31 127.63 1dk5 h LEU 456 Ca -0.04 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1dk5 h LEU 456 Cb 0.51 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1dk5 h LEU 456 CO 0.06 0.01 -0.18 0.40 -0.34 0.00 0.00 178.44 178.39 1dk5 h ILE 457 N 0.48 0.00 -1.14 4.05 2.04 -0.34 -1.81 117.51 120.79 1dk5 h ILE 457 Ca 0.68 -0.03 0.33 0.00 1.00 0.00 0.00 64.86 66.84 1dk5 h ILE 457 Cb 1.40 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 1dk5 h ILE 457 CO -0.53 0.00 0.95 0.03 0.00 0.00 0.00 178.15 178.60 1dk5 h ARG 458 N -0.53 0.00 0.30 2.37 3.08 -0.07 -1.18 114.38 118.36 1dk5 h ARG 458 Ca -0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1dk5 h ARG 458 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1dk5 h ARG 458 CO 0.08 0.00 -0.14 1.96 -1.07 0.00 0.00 179.97 180.80 1dk5 h GLN 459 N 0.00 -0.38 -0.11 0.04 4.20 0.02 -3.23 115.11 115.65 1dk5 h GLN 459 Ca 0.54 0.03 0.01 0.00 0.06 0.00 0.00 58.65 59.29 1dk5 h GLN 459 Cb 2.44 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 30.29 1dk5 h GLN 459 CO -0.01 -0.24 0.02 1.79 -0.67 0.00 0.00 178.83 179.73 1dk5 h THR 460 N -1.10 0.96 -0.15 -0.54 1.35 -0.39 0.58 112.91 113.61 1dk5 h THR 460 Ca -0.04 -0.03 0.04 0.00 -0.55 0.00 0.00 66.41 65.84 1dk5 h THR 460 Cb 0.32 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 67.61 1dk5 h THR 460 CO 0.07 0.01 0.45 0.22 -0.25 0.00 0.00 175.52 176.02 1dk5 h TYR 461 N 0.07 0.00 0.00 4.73 5.03 -1.49 0.45 116.97 125.76 1dk5 h TYR 461 Ca 0.05 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.36 1dk5 h TYR 461 Cb 0.04 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.32 1dk5 h TYR 461 CO -0.11 0.00 -0.10 0.00 -1.32 0.00 0.00 178.16 176.63 1dk5 h ALA 462 N 1.25 0.00 -1.21 1.82 0.00 -1.11 -1.44 119.26 118.57 1dk5 h ALA 462 Ca 0.07 -0.21 0.38 0.00 0.00 0.00 0.00 54.91 55.15 1dk5 h ALA 462 Cb 0.97 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.78 1dk5 h ALA 462 CO -0.00 0.10 0.83 0.39 0.00 0.00 0.00 179.25 180.57 1dk5 n GLU 463 N -2.95 -0.01 0.00 0.00 -0.58 0.03 -2.43 120.64 114.69 1dk5 n GLU 463 Ca -0.01 0.83 0.00 0.00 -0.42 0.00 0.00 57.16 57.56 1dk5 n GLU 463 Cb 0.05 -1.78 0.00 0.00 -0.57 0.00 0.00 31.44 29.15 1dk5 n GLU 463 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1dk5 n THR 464 N -3.72 0.00 -1.23 2.62 -1.04 0.15 -5.08 114.28 105.98 1dk5 n THR 464 Ca 0.30 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.31 1dk5 n THR 464 Cb 1.29 -0.44 0.00 0.00 -1.82 0.00 0.00 70.33 69.36 1dk5 n THR 464 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1dk5 n PHE 465 N -0.88 -1.03 0.00 -1.42 3.01 -0.54 -5.07 117.46 111.52 1dk5 n PHE 465 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1dk5 n PHE 465 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1dk5 n PHE 465 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dk5 n GLY 466 N 5.00 -1.12 2.96 1.37 0.00 -1.26 -4.69 105.19 107.45 1dk5 n GLY 466 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1dk5 n GLY 466 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dk5 n GLU 467 N 0.00 -1.76 -3.76 1.61 1.02 -1.26 -4.91 120.64 111.59 1dk5 n GLU 467 Ca 0.00 -0.52 -0.37 0.00 -0.02 0.00 0.00 57.16 56.25 1dk5 n GLU 467 Cb 0.00 -1.36 -0.06 0.00 -0.02 0.00 0.00 31.44 30.00 1dk5 n GLU 467 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1dk5 s ASP 468 N -1.76 6.52 0.55 1.62 3.68 -1.26 -4.68 116.67 121.35 1dk5 s ASP 468 Ca 0.29 0.62 0.23 0.00 2.13 0.00 0.00 52.55 55.82 1dk5 s ASP 468 Cb -0.04 -2.12 1.49 0.00 -1.45 0.00 0.00 42.92 40.79 1dk5 s ASP 468 CO 0.28 0.37 2.14 0.25 0.13 0.00 0.00 175.17 178.33 1dk5 h LEU 469 N 4.79 0.00 -0.62 -1.34 6.46 -1.92 -2.01 115.31 120.66 1dk5 h LEU 469 Ca -0.53 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.23 1dk5 h LEU 469 Cb 1.22 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.15 1dk5 h LEU 469 CO 0.60 0.00 0.00 -0.07 -0.62 0.00 0.00 178.44 178.35 1dk5 h LEU 470 N 0.00 0.00 0.00 2.25 3.38 -1.97 -2.27 115.31 116.70 1dk5 h LEU 470 Ca 0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1dk5 h LEU 470 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1dk5 h LEU 470 CO -0.00 0.00 -0.80 0.50 0.09 0.00 0.00 178.44 178.23 1dk5 h LYS 471 N 0.00 0.00 -0.03 1.13 1.63 -1.77 -2.92 116.57 114.61 1dk5 h LYS 471 Ca 0.00 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 59.63 1dk5 h LYS 471 Cb 0.57 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.19 1dk5 h LYS 471 CO 0.00 0.09 -0.75 1.49 -3.45 0.00 0.00 179.45 176.83 1dk5 h GLU 472 N 0.00 0.19 0.00 1.90 4.57 -1.40 -2.46 114.58 117.38 1dk5 h GLU 472 Ca -0.03 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1dk5 h GLU 472 Cb 1.12 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1dk5 h GLU 472 CO 0.01 0.85 -0.08 1.28 -1.18 0.00 0.00 179.01 179.89 1dk5 n LEU 473 N -3.74 0.36 0.02 1.64 4.77 -0.97 -3.98 117.00 115.09 1dk5 n LEU 473 Ca -0.03 0.47 0.11 0.00 -0.03 0.00 0.00 56.01 56.53 1dk5 n LEU 473 Cb 0.72 -0.40 0.07 0.00 -2.33 0.00 0.00 43.42 41.48 1dk5 n LEU 473 CO 0.46 -0.05 0.13 0.47 -1.33 0.00 0.00 177.39 177.06 1dk5 n ASP 474 N -1.79 0.63 -0.11 -1.43 9.92 -0.93 -4.59 116.55 118.25 1dk5 n ASP 474 Ca 0.06 -0.24 0.06 0.00 -0.53 0.00 0.00 54.79 54.14 1dk5 n ASP 474 Cb 0.38 0.63 0.12 0.00 -0.64 0.00 0.00 41.12 41.60 1dk5 n ASP 474 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1dk5 n ARG 475 N -1.85 -0.02 -3.71 -1.24 5.12 -1.20 -4.14 116.66 109.61 1dk5 n ARG 475 Ca 0.03 0.46 -0.14 0.00 -1.93 0.00 0.00 57.85 56.27 1dk5 n ARG 475 Cb 0.41 -0.76 -0.08 0.00 -1.16 0.00 0.00 32.46 30.86 1dk5 n ARG 475 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1dk5 s GLU 476 N -4.91 0.76 -0.37 5.56 2.12 -1.26 -5.10 118.70 115.50 1dk5 s GLU 476 Ca -0.04 -0.13 0.12 0.00 0.36 0.00 0.00 54.97 55.27 1dk5 s GLU 476 Cb 0.10 0.34 0.41 0.00 0.26 0.00 0.00 34.13 35.24 1dk5 s GLU 476 CO 0.25 -0.22 1.39 -0.11 -0.54 0.00 0.00 175.26 176.03 1dk5 n LEU 477 N 1.13 -1.39 -0.13 2.70 7.94 -1.26 -4.91 117.00 121.08 1dk5 n LEU 477 Ca -0.21 -3.37 0.09 0.00 -1.11 0.00 0.00 56.01 51.41 1dk5 n LEU 477 Cb 0.57 0.09 -0.07 0.00 0.53 0.00 0.00 43.42 44.53 1dk5 n LEU 477 CO 0.22 1.78 0.06 0.35 -1.11 0.00 0.00 177.39 178.69 1dk5 n THR 478 N -0.92 0.00 -3.96 1.96 -2.24 -1.26 -4.61 114.28 103.25 1dk5 n THR 478 Ca -0.07 -0.15 -0.36 0.00 -2.27 0.00 0.00 64.05 61.20 1dk5 n THR 478 Cb 0.86 1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 70.09 1dk5 n THR 478 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1dk5 s HIS 479 N -2.52 3.51 0.38 4.78 3.76 -1.26 -5.00 115.29 118.93 1dk5 s HIS 479 Ca 0.10 0.42 0.13 0.00 -0.15 0.00 0.00 55.06 55.56 1dk5 s HIS 479 Cb 0.14 -1.88 0.95 0.00 1.11 0.00 0.00 32.58 32.90 1dk5 s HIS 479 CO 0.66 0.67 1.85 -0.44 -0.85 0.00 0.00 174.74 176.63 1dk5 h ASP 480 N 4.64 0.54 0.23 1.40 5.19 -1.98 -0.56 116.42 125.88 1dk5 h ASP 480 Ca -0.53 0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 55.92 1dk5 h ASP 480 Cb 1.21 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.66 1dk5 h ASP 480 CO 0.61 0.24 -0.13 0.15 -3.12 0.00 0.00 179.24 176.98 1dk5 h PHE 481 N 0.55 -0.33 -0.16 4.55 3.57 -1.92 0.15 116.94 123.35 1dk5 h PHE 481 Ca 0.47 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.99 1dk5 h PHE 481 Cb 0.96 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 1dk5 h PHE 481 CO -0.00 -0.20 0.00 0.93 -2.23 0.00 0.00 178.31 176.81 1dk5 h GLU 482 N -0.34 0.06 -0.41 1.11 5.08 -1.57 -0.41 114.58 118.10 1dk5 h GLU 482 Ca -0.02 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.40 1dk5 h GLU 482 Cb 0.27 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 1dk5 h GLU 482 CO 0.03 0.04 0.07 0.87 -1.00 0.00 0.00 179.01 179.02 1dk5 h LYS 483 N 0.06 0.19 0.00 2.33 1.57 -0.96 -1.96 116.57 117.80 1dk5 h LYS 483 Ca 0.07 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1dk5 h LYS 483 Cb 0.08 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1dk5 h LYS 483 CO -0.12 0.12 -0.32 1.25 -0.57 0.00 0.00 179.45 179.82 1dk5 h LEU 484 N 0.19 0.00 0.01 2.94 5.85 -0.07 -2.63 115.31 121.60 1dk5 h LEU 484 Ca 0.20 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.69 1dk5 h LEU 484 Cb 0.26 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1dk5 h LEU 484 CO -0.28 0.32 -1.08 0.58 -0.34 0.00 0.00 178.44 177.64 1dk5 h VAL 485 N 0.00 1.61 0.48 1.05 2.07 -0.64 -2.85 116.25 117.97 1dk5 h VAL 485 Ca -0.00 -3.21 -0.02 0.00 0.82 0.00 0.00 66.70 64.29 1dk5 h VAL 485 Cb 0.70 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 33.32 1dk5 h VAL 485 CO 0.04 0.92 -0.23 0.25 0.02 0.00 0.00 177.57 178.58 1dk5 h LEU 486 N 0.04 -0.54 -1.01 2.57 6.46 -1.15 -1.20 115.31 120.47 1dk5 h LEU 486 Ca -0.06 -0.08 0.06 0.00 -0.12 0.00 0.00 57.88 57.68 1dk5 h LEU 486 Cb 1.81 0.14 -0.07 0.00 -0.73 0.00 0.00 40.66 41.82 1dk5 h LEU 486 CO 0.16 -0.22 0.65 -0.37 -0.62 0.00 0.00 178.44 178.05 1dk5 h VAL 487 N -0.89 1.11 -0.60 1.05 -1.51 -1.60 -2.27 116.25 111.54 1dk5 h VAL 487 Ca -0.07 -0.41 -0.03 0.00 -1.23 0.00 0.00 66.70 64.96 1dk5 h VAL 487 Cb 0.59 -0.20 -0.03 0.00 -2.13 0.00 0.00 31.29 29.52 1dk5 h VAL 487 CO 0.11 0.22 0.24 -0.25 -1.23 0.00 0.00 177.57 176.66 1dk5 h TRP 488 N 1.20 0.92 -0.55 5.19 2.91 -1.45 -3.14 115.95 121.04 1dk5 h TRP 488 Ca 0.43 -0.07 -0.05 0.00 1.13 0.00 0.00 58.89 60.33 1dk5 h TRP 488 Cb 0.12 -0.28 -0.03 0.00 -0.51 0.00 0.00 29.16 28.47 1dk5 h TRP 488 CO -0.00 0.73 0.14 1.15 -1.03 0.00 0.00 178.44 179.43 1dk5 h THR 489 N 0.84 1.23 -3.96 2.65 2.02 -0.63 -3.45 112.91 111.61 1dk5 h THR 489 Ca 0.20 -0.81 -0.53 0.00 0.77 0.00 0.00 66.41 66.04 1dk5 h THR 489 Cb 0.20 0.66 0.19 0.00 -1.74 0.00 0.00 68.15 67.46 1dk5 h THR 489 CO -0.02 0.30 0.05 0.18 0.37 0.00 0.00 175.52 176.41 1dk5 n LEU 490 N -4.28 2.88 -4.76 2.58 4.77 -1.07 -4.87 117.00 112.25 1dk5 n LEU 490 Ca 0.04 0.50 -0.41 0.00 -0.03 0.00 0.00 56.01 56.11 1dk5 n LEU 490 Cb 0.22 -1.41 -0.03 0.00 -2.33 0.00 0.00 43.42 39.87 1dk5 n LEU 490 CO 0.40 -2.33 0.96 -0.62 -1.33 0.00 0.00 177.39 174.47 1dk5 s ASP 491 N -2.17 6.85 0.34 -1.43 -1.08 -1.26 -4.75 116.67 113.17 1dk5 s ASP 491 Ca 0.68 2.59 0.14 0.00 -0.52 0.00 0.00 52.55 55.44 1dk5 s ASP 491 Cb -0.27 -2.64 1.09 0.00 -1.46 0.00 0.00 42.92 39.65 1dk5 s ASP 491 CO 0.57 -0.49 1.62 1.55 0.52 0.00 0.00 175.17 178.93 1dk5 h PRO 492 N 3.83 0.15 0.24 4.34 0.13 -1.91 0.22 132.00 139.00 1dk5 h PRO 492 Ca -0.48 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1dk5 h PRO 492 Cb 1.22 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1dk5 h PRO 492 CO 0.68 0.10 -0.12 1.03 -0.23 0.00 0.00 178.00 179.46 1dk5 h SER 493 N 0.15 -0.28 -0.66 1.44 0.87 -1.93 -1.42 113.55 111.73 1dk5 h SER 493 Ca 0.74 0.01 0.10 0.00 -1.23 0.00 0.00 61.79 61.41 1dk5 h SER 493 Cb 1.76 0.08 -0.08 0.00 -0.44 0.00 0.00 62.40 63.71 1dk5 h SER 493 CO -0.71 -0.20 0.26 -0.33 -0.53 0.00 0.00 176.83 175.32 1dk5 h GLU 494 N -0.33 0.43 -0.90 2.24 5.08 -0.97 0.10 114.58 120.24 1dk5 h GLU 494 Ca -0.03 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1dk5 h GLU 494 Cb 0.25 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 1dk5 h GLU 494 CO 0.05 0.29 0.59 -0.09 -1.00 0.00 0.00 179.01 178.85 1dk5 h ARG 495 N 0.45 1.12 -0.10 2.33 2.43 -1.01 -1.59 114.38 117.99 1dk5 h ARG 495 Ca 0.34 -0.07 -0.14 0.00 -0.81 0.00 0.00 59.98 59.30 1dk5 h ARG 495 Cb 0.43 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1dk5 h ARG 495 CO -0.32 0.74 -0.54 -0.44 -1.51 0.00 0.00 179.97 177.90 1dk5 h ASP 496 N 1.15 0.33 -0.09 -3.80 3.45 0.30 0.00 116.42 117.77 1dk5 h ASP 496 Ca 0.35 -0.17 -0.15 0.00 0.43 0.00 0.00 57.03 57.49 1dk5 h ASP 496 Cb -0.04 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 38.63 1dk5 h ASP 496 CO -0.09 0.81 -0.44 0.00 -1.57 0.00 0.00 179.24 177.94 1dk5 h ALA 497 N 1.20 0.75 -0.28 3.45 0.00 -0.91 0.33 119.26 123.79 1dk5 h ALA 497 Ca 0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 1dk5 h ALA 497 Cb 1.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1dk5 h ALA 497 CO 0.09 0.66 -0.03 1.25 0.00 0.00 0.00 179.25 181.22 1dk5 h HIS 498 N 0.51 0.57 -0.65 0.00 -0.00 -1.05 0.44 115.15 114.97 1dk5 h HIS 498 Ca 0.03 -0.11 -0.04 0.00 -0.00 0.00 0.00 60.37 60.26 1dk5 h HIS 498 Cb 0.98 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 28.21 1dk5 h HIS 498 CO 0.04 0.68 0.24 -0.07 -0.00 0.00 0.00 177.93 178.82 1dk5 h LEU 499 N 0.29 0.89 0.08 0.26 3.38 -0.74 0.15 115.31 119.62 1dk5 h LEU 499 Ca 0.08 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1dk5 h LEU 499 Cb 0.47 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1dk5 h LEU 499 CO 0.02 0.81 -0.04 0.00 0.09 0.00 0.00 178.44 179.32 1dk5 h ALA 500 N 1.32 -0.11 -0.97 1.53 0.00 -0.13 -1.46 119.26 119.43 1dk5 h ALA 500 Ca 0.22 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1dk5 h ALA 500 Cb 0.22 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1dk5 h ALA 500 CO -0.02 -0.30 0.63 -0.22 0.00 0.00 0.00 179.25 179.34 1dk5 h LYS 501 N -0.62 1.10 0.00 0.00 1.63 -0.78 0.19 116.57 118.09 1dk5 h LYS 501 Ca -0.01 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.69 1dk5 h LYS 501 Cb 0.51 -0.25 -0.00 0.00 -0.60 0.00 0.00 32.23 31.89 1dk5 h LYS 501 CO 0.02 0.73 -0.14 1.49 -3.45 0.00 0.00 179.45 178.10 1dk5 h GLU 502 N 1.14 0.00 0.00 1.90 4.81 -0.63 -2.86 114.58 118.93 1dk5 h GLU 502 Ca 0.41 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.59 1dk5 h GLU 502 Cb 0.16 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1dk5 h GLU 502 CO -0.16 0.14 -0.26 0.00 -0.73 0.00 0.00 179.01 178.00 1dk5 h ALA 503 N 1.86 1.49 -0.27 2.92 0.00 0.50 -2.92 119.26 122.84 1dk5 h ALA 503 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1dk5 h ALA 503 Cb 0.66 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1dk5 h ALA 503 CO 0.02 0.32 0.00 0.25 0.00 0.00 0.00 179.25 179.84 1dk5 n THR 504 N -4.11 0.34 -3.48 0.00 -2.24 -1.08 -0.98 114.28 102.74 1dk5 n THR 504 Ca -0.02 -0.64 -0.38 0.00 -2.27 0.00 0.00 64.05 60.75 1dk5 n THR 504 Cb 0.32 1.04 -0.06 0.00 -2.10 0.00 0.00 70.33 69.53 1dk5 n THR 504 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1dk5 s LYS 505 N -1.66 3.93 0.05 -0.78 1.02 -1.10 -4.88 119.74 116.31 1dk5 s LYS 505 Ca 0.36 0.42 -0.10 0.00 0.02 0.00 0.00 55.97 56.67 1dk5 s LYS 505 Cb 0.22 -3.18 -0.02 0.00 -0.52 0.00 0.00 37.83 34.32 1dk5 s LYS 505 CO 0.31 0.66 0.98 -2.13 -0.92 0.00 0.00 175.35 174.25 1dk5 n ARG 506 N 1.65 -0.14 0.29 1.68 0.63 -1.26 0.54 116.66 120.06 1dk5 n ARG 506 Ca -0.13 0.97 0.18 0.00 -0.92 0.00 0.00 57.85 57.95 1dk5 n ARG 506 Cb 0.52 -1.44 0.88 0.00 0.45 0.00 0.00 32.46 32.87 1dk5 n ARG 506 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 1dk5 h TRP 507 N 0.00 0.00 -0.18 -0.14 4.06 -1.96 -2.85 115.95 114.89 1dk5 h TRP 507 Ca 0.05 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.00 1dk5 h TRP 507 Cb 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.29 1dk5 h TRP 507 CO -0.79 0.04 0.00 0.25 -3.56 0.00 0.00 178.44 174.38 1dk5 n THR 508 N -3.26 0.84 -1.60 1.49 -2.24 -0.69 -5.06 114.28 103.76 1dk5 n THR 508 Ca -0.01 -0.92 -0.52 0.00 -2.27 0.00 0.00 64.05 60.33 1dk5 n THR 508 Cb 0.21 0.60 -0.06 0.00 -2.10 0.00 0.00 70.33 68.98 1dk5 n THR 508 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1dk5 n LYS 509 N 0.15 1.24 -3.19 -0.78 4.81 0.19 -4.59 118.16 115.99 1dk5 n LYS 509 Ca 0.06 0.45 0.01 0.00 -0.87 0.00 0.00 58.31 57.97 1dk5 n LYS 509 Cb 0.33 -2.11 -0.02 0.00 0.02 0.00 0.00 35.03 33.25 1dk5 n LYS 509 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1dk5 s SER 510 N 0.68 -1.08 0.47 3.14 0.15 -0.15 -5.01 113.70 111.90 1dk5 s SER 510 Ca 0.85 0.62 0.27 0.00 0.70 0.00 0.00 55.95 58.38 1dk5 s SER 510 Cb -0.93 1.93 1.02 0.00 -1.71 0.00 0.00 66.02 66.33 1dk5 s SER 510 CO 0.47 -0.28 1.86 0.78 1.20 0.00 0.00 173.24 177.28 1dk5 h ASN 511 N 8.04 0.00 0.00 5.45 2.35 -1.94 -2.87 115.58 126.61 1dk5 h ASN 511 Ca -0.19 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1dk5 h ASN 511 Cb 1.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.53 1dk5 h ASN 511 CO 0.25 0.16 -0.00 -0.26 -1.65 0.00 0.00 177.43 175.92 1dk5 h PHE 512 N 0.00 -0.01 -0.97 1.19 0.04 -1.97 -1.64 116.94 113.58 1dk5 h PHE 512 Ca -0.00 -0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.88 1dk5 h PHE 512 Cb 0.69 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.76 1dk5 h PHE 512 CO 0.00 0.24 0.62 0.28 -0.60 0.00 0.00 178.31 178.85 1dk5 h VAL 513 N -0.25 0.94 -0.53 -0.55 2.07 -1.92 0.34 116.25 116.35 1dk5 h VAL 513 Ca -0.00 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 1dk5 h VAL 513 Cb 0.25 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 1dk5 h VAL 513 CO 0.00 0.18 0.15 -0.07 0.02 0.00 0.00 177.57 177.84 1dk5 h LEU 514 N 0.97 0.79 -0.59 2.57 3.38 -1.37 0.01 115.31 121.07 1dk5 h LEU 514 Ca 0.47 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 58.11 1dk5 h LEU 514 Cb 0.45 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1dk5 h LEU 514 CO -0.23 0.80 -0.08 -0.37 0.09 0.00 0.00 178.44 178.65 1dk5 h VAL 515 N 0.73 1.27 0.00 1.22 -1.51 0.10 -1.70 116.25 116.36 1dk5 h VAL 515 Ca 0.17 -1.24 -0.03 0.00 -1.23 0.00 0.00 66.70 64.38 1dk5 h VAL 515 Cb 0.31 0.92 -0.00 0.00 -2.13 0.00 0.00 31.29 30.38 1dk5 h VAL 515 CO -0.00 0.44 -0.13 -0.08 -1.23 0.00 0.00 177.57 176.57 1dk5 h GLU 516 N 0.93 0.00 0.24 5.19 4.81 0.05 0.30 114.58 126.09 1dk5 h GLU 516 Ca 0.15 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.04 1dk5 h GLU 516 Cb 0.64 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.06 1dk5 h GLU 516 CO 0.04 0.13 -1.55 -0.07 -0.73 0.00 0.00 179.01 176.83 1dk5 h LEU 517 N 0.00 0.80 -0.59 1.64 3.38 -0.62 -2.79 115.31 117.13 1dk5 h LEU 517 Ca -0.00 -0.92 -0.15 0.00 0.09 0.00 0.00 57.88 56.89 1dk5 h LEU 517 Cb 0.35 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1dk5 h LEU 517 CO 0.02 1.73 -0.64 0.00 0.09 0.00 0.00 178.44 179.64 1dk5 h ALA 518 N 0.15 0.79 0.02 1.53 0.00 -0.70 -3.36 119.26 117.70 1dk5 h ALA 518 Ca -0.28 -0.56 -0.37 0.00 0.00 0.00 0.00 54.91 53.70 1dk5 h ALA 518 Cb 2.16 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.81 1dk5 h ALA 518 CO 0.26 0.75 -2.28 0.00 0.00 0.00 0.00 179.25 177.97 1dk5 n THR 520 N -3.11 1.74 -4.62 0.00 -2.24 -1.05 -4.23 114.28 100.77 1dk5 n THR 520 Ca -0.36 -0.84 -0.29 0.00 -2.27 0.00 0.00 64.05 60.30 1dk5 n THR 520 Cb 1.06 -0.53 -0.14 0.00 -2.10 0.00 0.00 70.33 68.62 1dk5 n THR 520 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1dk5 s ARG 521 N -1.82 1.54 0.34 -0.78 3.00 -1.26 -5.01 118.95 114.97 1dk5 s ARG 521 Ca 0.29 -1.19 -0.29 0.00 0.00 0.00 0.00 55.73 54.54 1dk5 s ARG 521 Cb 0.23 -1.84 -0.10 0.00 0.00 0.00 0.00 34.95 33.23 1dk5 s ARG 521 CO 0.07 0.46 1.36 -1.54 0.00 0.00 0.00 175.30 175.65 1dk5 s SER 522 N -1.62 6.64 0.18 0.23 1.04 -1.26 -4.78 113.70 114.13 1dk5 s SER 522 Ca 0.12 2.80 -0.26 0.00 0.48 0.00 0.00 55.95 59.09 1dk5 s SER 522 Cb -0.10 -2.65 0.04 0.00 0.10 0.00 0.00 66.02 63.41 1dk5 s SER 522 CO 0.04 -0.64 1.55 -0.65 0.98 0.00 0.00 173.24 174.52 1dk5 h PRO 523 N 3.29 -0.09 -0.61 4.02 0.11 -1.92 0.27 132.00 137.07 1dk5 h PRO 523 Ca -0.49 0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.74 1dk5 h PRO 523 Cb 1.23 0.02 -0.12 0.00 0.11 0.00 0.00 31.00 32.24 1dk5 h PRO 523 CO 0.65 -0.06 -0.22 -0.22 -0.21 0.00 0.00 178.00 177.94 1dk5 h LYS 524 N -0.09 -0.07 -0.86 1.05 1.63 -1.89 -0.60 116.57 115.74 1dk5 h LYS 524 Ca 0.21 0.00 0.12 0.00 -0.85 0.00 0.00 60.65 60.14 1dk5 h LYS 524 Cb 0.52 0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 32.08 1dk5 h LYS 524 CO -0.86 -0.04 0.47 0.93 -3.45 0.00 0.00 179.45 176.50 1dk5 h GLU 525 N -0.07 0.71 -0.75 1.90 5.08 -0.85 -0.32 114.58 120.28 1dk5 h GLU 525 Ca 0.28 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 1dk5 h GLU 525 Cb 0.50 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1dk5 h GLU 525 CO -0.66 0.47 0.37 1.25 -1.00 0.00 0.00 179.01 179.44 1dk5 h LEU 526 N 0.73 0.96 0.41 1.33 5.85 -0.05 -0.93 115.31 123.61 1dk5 h LEU 526 Ca 0.44 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 59.04 1dk5 h LEU 526 Cb 0.53 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1dk5 h LEU 526 CO -0.31 0.80 -0.20 0.58 -0.34 0.00 0.00 178.44 178.98 1dk5 h VAL 527 N 1.06 0.55 -0.95 1.05 2.07 -0.47 -0.09 116.25 119.46 1dk5 h VAL 527 Ca 0.26 -0.44 0.19 0.00 0.82 0.00 0.00 66.70 67.53 1dk5 h VAL 527 Cb 0.09 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 30.51 1dk5 h VAL 527 CO -0.04 0.07 0.61 -0.07 0.02 0.00 0.00 177.57 178.17 1dk5 h LEU 528 N -0.82 0.59 -0.55 2.57 3.38 -1.04 0.32 115.31 119.76 1dk5 h LEU 528 Ca -0.06 0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1dk5 h LEU 528 Cb 0.54 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1dk5 h LEU 528 CO 0.09 0.23 -0.24 0.00 0.09 0.00 0.00 178.44 178.61 1dk5 h ALA 529 N 1.62 0.74 0.00 1.53 0.00 -1.07 -1.21 119.26 120.87 1dk5 h ALA 529 Ca 0.52 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1dk5 h ALA 529 Cb 1.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1dk5 h ALA 529 CO -0.26 0.66 -0.27 0.00 0.00 0.00 0.00 179.25 179.38 1dk5 h ARG 530 N 0.79 0.00 0.00 0.00 3.08 0.15 0.10 114.38 118.50 1dk5 h ARG 530 Ca 0.10 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.99 1dk5 h ARG 530 Cb 0.80 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 1dk5 h ARG 530 CO 0.07 0.27 -0.89 0.93 -1.07 0.00 0.00 179.97 179.28 1dk5 h GLU 531 N 0.00 0.00 -0.08 0.04 5.08 -0.43 -2.02 114.58 117.16 1dk5 h GLU 531 Ca -0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1dk5 h GLU 531 Cb 0.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1dk5 h GLU 531 CO 0.03 0.63 -0.78 0.00 -1.00 0.00 0.00 179.01 177.89 1dk5 h ALA 532 N 1.29 0.49 -0.37 3.43 0.00 -0.39 0.98 119.26 124.70 1dk5 h ALA 532 Ca -0.05 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 54.19 1dk5 h ALA 532 Cb 1.58 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1dk5 h ALA 532 CO 0.08 0.75 0.03 -0.92 0.00 0.00 0.00 179.25 179.19 1dk5 h TYR 533 N 0.33 0.59 0.42 0.00 5.03 -0.81 0.11 116.97 122.64 1dk5 h TYR 533 Ca -0.04 -0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.19 1dk5 h TYR 533 Cb 1.37 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 39.49 1dk5 h TYR 533 CO 0.06 0.55 -0.20 0.45 -1.32 0.00 0.00 178.16 177.70 1dk5 h HIS 534 N 0.55 -0.53 -0.28 -3.82 3.86 -0.70 -2.39 115.15 111.83 1dk5 h HIS 534 Ca 0.12 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.38 1dk5 h HIS 534 Cb 0.31 0.17 -0.08 0.00 1.06 0.00 0.00 27.41 28.88 1dk5 h HIS 534 CO 0.01 -0.21 -0.30 0.00 0.86 0.00 0.00 177.93 178.29 1dk5 h ALA 535 N -0.39 -0.21 0.34 2.45 0.00 -0.30 -2.35 119.26 118.81 1dk5 h ALA 535 Ca -0.06 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1dk5 h ALA 535 Cb 0.55 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1dk5 h ALA 535 CO 0.10 -0.72 -0.17 -0.09 0.00 0.00 0.00 179.25 178.37 1dk5 h ARG 536 N -0.28 -0.45 -0.01 0.00 9.65 -1.03 -3.38 114.38 118.88 1dk5 h ARG 536 Ca 0.14 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 1dk5 h ARG 536 Cb 0.52 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.20 1dk5 h ARG 536 CO -0.45 -0.30 -0.07 0.66 2.80 0.00 0.00 179.97 182.62 1dk5 n TYR 537 N -3.94 0.00 -3.06 2.20 4.02 -0.90 -4.95 117.16 110.53 1dk5 n TYR 537 Ca -0.06 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.62 1dk5 n TYR 537 Cb 0.18 -0.06 0.01 0.00 -0.02 0.00 0.00 39.34 39.46 1dk5 n TYR 537 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1dk5 n LYS 538 N -0.38 -3.83 -2.82 -0.72 4.76 -0.88 -4.95 118.16 109.33 1dk5 n LYS 538 Ca 0.18 0.71 -0.07 0.00 -2.87 0.00 0.00 58.31 56.25 1dk5 n LYS 538 Cb 0.30 -5.47 -0.01 0.00 -1.84 0.00 0.00 35.03 28.01 1dk5 n LYS 538 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1dk5 n LYS 539 N -3.72 0.45 -4.90 1.97 5.02 -1.26 -5.08 118.16 110.63 1dk5 n LYS 539 Ca -0.09 -1.48 -0.26 0.00 -2.02 0.00 0.00 58.31 54.46 1dk5 n LYS 539 Cb 0.59 1.51 -0.16 0.00 -0.02 0.00 0.00 35.03 36.96 1dk5 n LYS 539 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1dk5 s SER 540 N -2.19 2.22 0.26 4.39 1.04 -1.26 -3.68 113.70 114.48 1dk5 s SER 540 Ca 0.14 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.24 1dk5 s SER 540 Cb -0.01 -0.36 0.63 0.00 0.10 0.00 0.00 66.02 66.38 1dk5 s SER 540 CO 0.10 0.21 1.32 -0.11 0.98 0.00 0.00 173.24 175.74 1dk5 n LEU 541 N 2.77 -0.11 0.03 2.42 0.00 -1.26 -0.32 117.00 120.53 1dk5 n LEU 541 Ca -0.16 1.43 -0.05 0.00 0.00 0.00 0.00 56.01 57.23 1dk5 n LEU 541 Cb 0.53 -0.52 0.15 0.00 0.00 0.00 0.00 43.42 43.59 1dk5 n LEU 541 CO 0.24 -1.44 0.62 1.05 0.00 0.00 0.00 177.39 177.86 1dk5 h GLU 542 N 0.00 0.45 -0.21 1.96 9.09 -1.92 -1.81 114.58 122.14 1dk5 h GLU 542 Ca 0.50 -0.22 -0.13 0.00 0.05 0.00 0.00 59.36 59.57 1dk5 h GLU 542 Cb 1.03 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.12 1dk5 h GLU 542 CO -0.79 0.77 -0.40 1.05 0.05 0.00 0.00 179.01 179.69 1dk5 h GLU 543 N 0.37 0.49 -0.08 1.06 4.11 -1.09 -1.24 114.58 118.21 1dk5 h GLU 543 Ca 0.04 -0.24 -0.17 0.00 0.07 0.00 0.00 59.36 59.05 1dk5 h GLU 543 Cb 0.86 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1dk5 h GLU 543 CO 0.07 0.81 -0.67 -0.44 0.07 0.00 0.00 179.01 178.85 1dk5 h ASP 544 N 0.41 0.40 -0.30 3.06 3.32 -1.35 -1.21 116.42 120.74 1dk5 h ASP 544 Ca 0.04 -0.25 -0.15 0.00 0.02 0.00 0.00 57.03 56.68 1dk5 h ASP 544 Cb 0.88 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 1dk5 h ASP 544 CO 0.07 0.96 -0.41 0.58 -1.72 0.00 0.00 179.24 178.73 1dk5 h VAL 545 N 0.24 1.29 -0.43 -1.35 2.07 -1.20 -0.80 116.25 116.07 1dk5 h VAL 545 Ca -0.02 -1.59 -0.09 0.00 0.82 0.00 0.00 66.70 65.82 1dk5 h VAL 545 Cb 1.22 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 1dk5 h VAL 545 CO 0.11 0.52 -0.11 0.00 0.02 0.00 0.00 177.57 178.11 1dk5 h ALA 546 N 0.70 0.99 -0.22 1.67 0.00 -1.21 -1.57 119.26 119.62 1dk5 h ALA 546 Ca 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1dk5 h ALA 546 Cb 1.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1dk5 h ALA 546 CO 0.10 0.60 0.04 -0.92 0.00 0.00 0.00 179.25 179.07 1dk5 h TYR 547 N 0.70 0.38 -0.35 0.00 3.20 -1.08 -3.25 116.97 116.58 1dk5 h TYR 547 Ca 0.12 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1dk5 h TYR 547 Cb 0.59 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.76 1dk5 h TYR 547 CO 0.03 0.48 0.00 0.72 -1.64 0.00 0.00 178.16 177.75 1dk5 n HIS 548 N -4.73 0.86 -4.00 -3.82 8.25 -0.32 -4.89 115.22 106.57 1dk5 n HIS 548 Ca -0.04 -0.33 -0.08 0.00 -0.26 0.00 0.00 57.72 57.01 1dk5 n HIS 548 Cb 0.19 -0.18 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 1dk5 n HIS 548 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1dk5 s THR 549 N -1.73 0.15 0.24 1.59 -4.23 -0.61 -5.02 115.64 106.03 1dk5 s THR 549 Ca 0.28 -1.28 0.01 0.00 -1.18 0.00 0.00 61.69 59.53 1dk5 s THR 549 Cb 0.19 -0.88 -0.04 0.00 1.34 0.00 0.00 72.50 73.11 1dk5 s THR 549 CO 0.13 -0.70 0.17 0.42 -0.54 0.00 0.00 174.62 174.09 1dk5 s THR 550 N -2.65 0.05 0.00 3.99 -4.23 -1.26 -4.67 115.64 106.87 1dk5 s THR 550 Ca -0.05 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 1dk5 s THR 550 Cb -0.01 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.32 1dk5 s THR 550 CO -0.05 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 1dk5 n GLY 551 N -0.39 0.99 0.33 3.99 0.00 -1.26 -2.16 105.19 106.68 1dk5 n GLY 551 Ca 0.03 -0.71 0.21 0.00 0.00 0.00 0.00 46.02 45.55 1dk5 n GLY 551 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1dk5 h ASP 552 N 4.52 0.00 0.16 1.61 -0.00 -1.98 -1.26 116.42 119.47 1dk5 h ASP 552 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.02 1dk5 h ASP 552 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 1dk5 h ASP 552 CO 0.00 0.00 -0.08 0.45 -0.00 0.00 0.00 179.24 179.62 1dk5 h HIS 553 N 0.00 -0.20 0.00 4.15 3.86 -1.91 -2.10 115.15 118.95 1dk5 h HIS 553 Ca -0.00 -0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 1dk5 h HIS 553 Cb 0.03 0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 1dk5 h HIS 553 CO 0.00 0.01 -0.35 -0.09 0.86 0.00 0.00 177.93 178.36 1dk5 h ARG 554 N -0.38 0.00 0.00 2.45 2.43 -0.76 -1.68 114.38 116.44 1dk5 h ARG 554 Ca -0.02 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1dk5 h ARG 554 Cb 0.30 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1dk5 h ARG 554 CO 0.04 0.35 -0.07 -0.22 -1.51 0.00 0.00 179.97 178.55 1dk5 h LYS 555 N 0.00 0.00 0.00 0.20 3.64 -0.64 -2.46 116.57 117.32 1dk5 h LYS 555 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1dk5 h LYS 555 Cb 0.65 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1dk5 h LYS 555 CO 0.04 0.07 -0.57 -0.11 -2.27 0.00 0.00 179.45 176.62 1dk5 n LEU 556 N -4.04 1.44 0.01 5.20 0.00 -0.87 -4.59 117.00 114.14 1dk5 n LEU 556 Ca -0.03 0.41 0.21 0.00 0.00 0.00 0.00 56.01 56.61 1dk5 n LEU 556 Cb 0.16 -0.74 0.72 0.00 0.00 0.00 0.00 43.42 43.56 1dk5 n LEU 556 CO 0.31 -0.41 1.19 -0.07 0.00 0.00 0.00 177.39 178.42 1dk5 h LEU 557 N -0.77 0.00 0.08 -1.96 3.38 -1.37 -2.50 115.31 112.17 1dk5 h LEU 557 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1dk5 h LEU 557 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1dk5 h LEU 557 CO 0.00 0.00 -0.04 0.58 0.09 0.00 0.00 178.44 179.07 1dk5 h VAL 558 N 0.00 1.02 -0.03 1.22 2.07 -1.67 -2.75 116.25 116.11 1dk5 h VAL 558 Ca 0.25 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 1dk5 h VAL 558 Cb 1.11 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1dk5 h VAL 558 CO -0.00 0.30 0.00 1.55 0.02 0.00 0.00 177.57 179.44 1dk5 h PRO 559 N -0.89 0.04 -0.21 1.57 0.13 -1.78 -0.40 132.00 130.45 1dk5 h PRO 559 Ca -0.01 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 1dk5 h PRO 559 Cb 0.57 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 1dk5 h PRO 559 CO 0.02 0.04 0.08 -0.07 -0.23 0.00 0.00 178.00 177.84 1dk5 h LEU 560 N 0.04 0.28 0.00 1.56 3.38 -1.49 0.44 115.31 119.53 1dk5 h LEU 560 Ca 0.01 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1dk5 h LEU 560 Cb 0.02 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1dk5 h LEU 560 CO -0.00 0.36 -0.12 1.33 0.09 0.00 0.00 178.44 180.11 1dk5 n VAL 561 N -4.83 0.26 0.04 1.22 0.24 -1.03 -3.29 118.33 110.94 1dk5 n VAL 561 Ca -0.04 -0.14 0.07 0.00 -2.04 0.00 0.00 64.34 62.19 1dk5 n VAL 561 Cb 0.12 -0.42 -0.08 0.00 -1.47 0.00 0.00 33.84 31.99 1dk5 n VAL 561 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1dk5 n SER 562 N -1.85 0.53 -4.73 -1.34 2.88 -0.19 -4.83 113.62 104.09 1dk5 n SER 562 Ca 0.06 0.22 -0.41 0.00 -1.33 0.00 0.00 58.87 57.40 1dk5 n SER 562 Cb 0.38 0.88 -0.03 0.00 -0.75 0.00 0.00 64.21 64.69 1dk5 n SER 562 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1dk5 s SER 563 N -5.23 6.97 -0.68 -3.46 0.15 0.15 -4.95 113.70 106.66 1dk5 s SER 563 Ca -0.04 2.29 0.04 0.00 0.70 0.00 0.00 55.95 58.93 1dk5 s SER 563 Cb 0.10 -2.60 0.33 0.00 -1.71 0.00 0.00 66.02 62.14 1dk5 s SER 563 CO 0.83 -0.49 1.10 0.00 1.20 0.00 0.00 173.24 175.89 1dk5 n TYR 564 N 2.97 3.77 -1.12 3.44 9.36 -1.26 -5.01 117.16 129.31 1dk5 n TYR 564 Ca 0.07 -3.72 -0.37 0.00 3.32 0.00 0.00 57.90 57.19 1dk5 n TYR 564 Cb 0.44 -0.64 0.03 0.00 -0.63 0.00 0.00 39.34 38.54 1dk5 n TYR 564 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1dk5 n ARG 565 N -0.10 0.01 -1.52 2.98 1.74 -1.26 -4.95 116.66 113.56 1dk5 n ARG 565 Ca 0.34 0.01 -0.31 0.00 -0.77 0.00 0.00 57.85 57.12 1dk5 n ARG 565 Cb 0.37 -1.07 0.07 0.00 -1.02 0.00 0.00 32.46 30.81 1dk5 n ARG 565 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1dk5 s TYR 566 N -2.00 2.93 -0.04 -1.55 6.14 -1.26 -4.80 117.35 116.77 1dk5 s TYR 566 Ca 0.49 1.32 0.01 0.00 0.64 0.00 0.00 57.07 59.53 1dk5 s TYR 566 Cb -0.33 -3.00 -0.01 0.00 0.42 0.00 0.00 41.96 39.04 1dk5 s TYR 566 CO 0.74 -1.53 0.07 0.41 0.64 0.00 0.00 175.55 175.87 1dk5 n GLY 567 N -1.93 0.74 0.00 8.97 0.00 -1.26 -4.57 105.19 107.14 1dk5 n GLY 567 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1dk5 n GLY 567 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dk5 n GLY 568 N 0.94 -3.31 0.07 -0.02 0.00 -1.26 -4.96 105.19 96.65 1dk5 n GLY 568 Ca 0.00 -1.30 0.04 0.00 0.00 0.00 0.00 46.02 44.76 1dk5 n GLY 568 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dk5 n GLU 569 N -1.80 3.60 -1.26 1.61 -0.58 -1.26 -4.73 120.64 116.22 1dk5 n GLU 569 Ca 0.00 -0.20 -0.37 0.00 -0.42 0.00 0.00 57.16 56.17 1dk5 n GLU 569 Cb 0.00 -0.93 0.05 0.00 -0.57 0.00 0.00 31.44 29.99 1dk5 n GLU 569 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1dk5 n GLU 570 N -0.85 0.23 -3.68 3.49 4.71 -1.26 -4.80 120.64 118.48 1dk5 n GLU 570 Ca 0.02 0.10 -0.13 0.00 -0.01 0.00 0.00 57.16 57.14 1dk5 n GLU 570 Cb 0.14 -1.54 -0.07 0.00 -1.01 0.00 0.00 31.44 28.96 1dk5 n GLU 570 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1dk5 s VAL 571 N -1.92 0.05 -0.54 2.62 -7.23 -1.26 -4.36 120.40 107.77 1dk5 s VAL 571 Ca 0.61 -0.42 0.03 0.00 -1.81 0.00 0.00 61.98 60.40 1dk5 s VAL 571 Cb -0.38 -0.86 0.14 0.00 0.56 0.00 0.00 36.38 35.84 1dk5 s VAL 571 CO 0.62 -0.23 0.29 -0.62 -0.31 0.00 0.00 175.10 174.85 1dk5 s ASP 572 N -1.71 4.42 0.36 4.85 2.15 -1.26 -4.99 116.67 120.49 1dk5 s ASP 572 Ca -0.08 -3.05 0.21 0.00 0.43 0.00 0.00 52.55 50.05 1dk5 s ASP 572 Cb -0.02 -1.66 1.32 0.00 -0.30 0.00 0.00 42.92 42.26 1dk5 s ASP 572 CO 0.01 -0.23 1.53 0.18 -0.17 0.00 0.00 175.17 176.49 1dk5 n LEU 573 N 3.07 0.33 -0.03 -1.34 4.77 -1.26 -0.55 117.00 121.99 1dk5 n LEU 573 Ca 0.06 1.60 -0.15 0.00 -0.03 0.00 0.00 56.01 57.49 1dk5 n LEU 573 Cb 0.33 -0.78 -0.10 0.00 -2.33 0.00 0.00 43.42 40.54 1dk5 n LEU 573 CO 0.34 -1.79 0.44 0.03 -1.33 0.00 0.00 177.39 175.08 1dk5 h ARG 574 N 0.00 0.27 -0.99 3.23 3.08 -2.00 -1.49 114.38 116.48 1dk5 h ARG 574 Ca 0.83 -0.23 0.07 0.00 0.07 0.00 0.00 59.98 60.73 1dk5 h ARG 574 Cb 2.21 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 32.24 1dk5 h ARG 574 CO -0.73 0.88 0.63 1.25 -1.07 0.00 0.00 179.97 180.93 1dk5 h LEU 575 N -0.28 1.00 -0.08 3.04 6.46 -1.60 -0.17 115.31 123.68 1dk5 h LEU 575 Ca -0.02 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.80 1dk5 h LEU 575 Cb 0.94 -0.19 -0.06 0.00 -0.73 0.00 0.00 40.66 40.62 1dk5 h LEU 575 CO 0.06 0.62 -0.29 0.00 -0.62 0.00 0.00 178.44 178.21 1dk5 h ALA 576 N 1.46 -0.35 -0.68 1.25 0.00 -0.73 -0.31 119.26 119.90 1dk5 h ALA 576 Ca 0.44 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.29 1dk5 h ALA 576 Cb 0.22 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1dk5 h ALA 576 CO -0.19 -0.78 0.15 -0.22 0.00 0.00 0.00 179.25 178.22 1dk5 h LYS 577 N -0.39 1.09 -0.43 0.00 3.64 -0.15 -1.17 116.57 119.17 1dk5 h LYS 577 Ca 0.08 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.16 1dk5 h LYS 577 Cb 0.52 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1dk5 h LYS 577 CO -0.30 0.97 0.12 0.00 -2.27 0.00 0.00 179.45 177.97 1dk5 h ALA 578 N 1.12 0.56 0.02 5.00 0.00 -0.75 -2.46 119.26 122.75 1dk5 h ALA 578 Ca 0.21 -0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 1dk5 h ALA 578 Cb 0.38 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1dk5 h ALA 578 CO 0.00 0.22 -0.95 0.93 0.00 0.00 0.00 179.25 179.45 1dk5 h GLU 579 N 0.55 0.28 -0.72 0.00 5.08 -0.99 -2.50 114.58 116.29 1dk5 h GLU 579 Ca 0.14 -0.33 0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1dk5 h GLU 579 Cb 0.28 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1dk5 h GLU 579 CO -0.00 1.05 0.47 1.03 -1.00 0.00 0.00 179.01 180.56 1dk5 h SER 580 N 0.15 0.67 -0.33 1.42 0.87 -1.15 0.54 113.55 115.72 1dk5 h SER 580 Ca -0.07 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.36 1dk5 h SER 580 Cb 1.60 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.41 1dk5 h SER 580 CO 0.15 0.44 -0.30 0.50 -0.53 0.00 0.00 176.83 177.09 1dk5 h LYS 581 N 0.77 0.79 -0.33 2.24 3.64 -1.28 -2.35 116.57 120.04 1dk5 h LYS 581 Ca 0.31 -0.41 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1dk5 h LYS 581 Cb 0.24 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1dk5 h LYS 581 CO -0.10 1.04 0.13 0.82 -2.27 0.00 0.00 179.45 179.07 1dk5 h ILE 582 N 0.56 1.19 0.00 2.00 2.04 -0.64 -2.20 117.51 120.46 1dk5 h ILE 582 Ca 0.05 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1dk5 h ILE 582 Cb 0.88 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1dk5 h ILE 582 CO 0.08 0.20 0.00 0.18 0.00 0.00 0.00 178.15 178.61 1dk5 n LEU 583 N -4.71 0.00 -0.14 1.44 4.77 0.17 -2.52 117.00 116.02 1dk5 n LEU 583 Ca -0.01 0.96 -0.04 0.00 -0.03 0.00 0.00 56.01 56.89 1dk5 n LEU 583 Cb 0.14 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 1dk5 n LEU 583 CO 0.36 -0.46 0.32 1.57 -1.33 0.00 0.00 177.39 177.85 1dk5 n HIS 584 N -2.25 -0.15 -0.19 -1.77 -0.00 -0.89 -0.91 115.22 109.06 1dk5 n HIS 584 Ca 0.00 0.42 -0.02 0.00 0.46 0.00 0.00 57.72 58.58 1dk5 n HIS 584 Cb 0.00 -0.44 0.08 0.00 -0.12 0.00 0.00 29.99 29.51 1dk5 n HIS 584 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 1dk5 h GLU 585 N 0.00 0.44 -0.42 1.57 4.11 -1.43 0.57 114.58 119.43 1dk5 h GLU 585 Ca 0.05 -0.03 0.05 0.00 0.07 0.00 0.00 59.36 59.50 1dk5 h GLU 585 Cb 0.14 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1dk5 h GLU 585 CO -0.32 0.29 0.16 0.87 0.07 0.00 0.00 179.01 180.09 1dk5 h LYS 586 N 0.45 0.33 0.32 1.06 1.79 -0.98 0.88 116.57 120.42 1dk5 h LYS 586 Ca 0.27 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.70 1dk5 h LYS 586 Cb 0.27 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1dk5 h LYS 586 CO -0.24 0.22 -0.15 0.82 -1.08 0.00 0.00 179.45 179.02 1dk5 h ILE 587 N 0.34 0.70 0.00 1.86 2.04 0.00 -0.74 117.51 121.72 1dk5 h ILE 587 Ca 0.19 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1dk5 h ILE 587 Cb 0.16 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1dk5 h ILE 587 CO -0.18 0.03 0.00 -0.24 0.00 0.00 0.00 178.15 177.76 1dk5 n SER 588 N -5.24 0.23 -0.00 1.72 2.88 0.19 0.62 113.62 114.01 1dk5 n SER 588 Ca -0.10 0.57 0.13 0.00 -1.33 0.00 0.00 58.87 58.14 1dk5 n SER 588 Cb 0.21 -0.61 0.38 0.00 -0.75 0.00 0.00 64.21 63.43 1dk5 n SER 588 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1dk5 n ASP 589 N -1.77 0.34 -2.75 -3.46 10.43 0.30 -4.92 116.55 114.71 1dk5 n ASP 589 Ca 0.02 -0.01 -0.17 0.00 2.57 0.00 0.00 54.79 57.20 1dk5 n ASP 589 Cb 0.13 -0.00 0.06 0.00 1.84 0.00 0.00 41.12 43.14 1dk5 n ASP 589 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1dk5 n LYS 590 N -1.49 -5.80 -2.75 -1.24 4.76 0.20 -4.93 118.16 106.90 1dk5 n LYS 590 Ca 0.06 0.60 -0.28 0.00 -2.87 0.00 0.00 58.31 55.82 1dk5 n LYS 590 Cb 0.34 -4.96 -0.02 0.00 -1.84 0.00 0.00 35.03 28.55 1dk5 n LYS 590 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1dk5 n ALA 591 N -4.32 4.91 0.22 7.82 0.00 -0.38 -4.90 120.51 123.87 1dk5 n ALA 591 Ca 0.01 -4.56 0.06 0.00 0.00 0.00 0.00 53.44 48.94 1dk5 n ALA 591 Cb 0.54 -0.75 0.51 0.00 0.00 0.00 0.00 19.45 19.76 1dk5 n ALA 591 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1dk5 h TYR 592 N 2.89 0.01 -0.40 0.00 -1.99 -1.88 -1.61 116.97 113.98 1dk5 h TYR 592 Ca 0.21 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.94 1dk5 h TYR 592 Cb 0.63 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.35 1dk5 h TYR 592 CO 0.86 0.17 0.00 -1.13 -0.00 0.00 0.00 178.16 178.06 1dk5 n SER 593 N -4.35 3.65 -4.75 3.88 3.41 -1.26 -4.66 113.62 109.54 1dk5 n SER 593 Ca -0.02 -2.43 -0.41 0.00 -0.26 0.00 0.00 58.87 55.74 1dk5 n SER 593 Cb 0.23 -0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 1dk5 n SER 593 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1dk5 s ASP 594 N -0.64 6.81 0.24 4.04 2.15 -0.61 -4.79 116.67 123.87 1dk5 s ASP 594 Ca 0.34 2.54 0.09 0.00 0.43 0.00 0.00 52.55 55.95 1dk5 s ASP 594 Cb 0.24 -2.62 0.77 0.00 -0.30 0.00 0.00 42.92 41.01 1dk5 s ASP 594 CO 0.14 -0.57 1.12 0.47 -0.17 0.00 0.00 175.17 176.15 1dk5 n ASP 595 N 2.14 0.10 0.19 -0.34 9.92 -1.26 0.21 116.55 127.51 1dk5 n ASP 595 Ca 0.05 1.19 0.04 0.00 -0.53 0.00 0.00 54.79 55.54 1dk5 n ASP 595 Cb 0.42 -0.52 0.38 0.00 -0.64 0.00 0.00 41.12 40.77 1dk5 n ASP 595 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1dk5 h GLU 596 N 0.00 0.00 0.23 -1.24 4.39 -1.94 0.16 114.58 116.18 1dk5 h GLU 596 Ca 0.53 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.22 1dk5 h GLU 596 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1dk5 h GLU 596 CO -0.60 0.36 -0.11 0.28 -1.16 0.00 0.00 179.01 177.78 1dk5 h VAL 597 N 0.00 0.56 -0.52 3.13 2.07 0.22 -2.95 116.25 118.76 1dk5 h VAL 597 Ca -0.00 -0.96 0.07 0.00 0.82 0.00 0.00 66.70 66.63 1dk5 h VAL 597 Cb 0.71 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.35 1dk5 h VAL 597 CO 0.05 0.14 0.18 0.40 0.02 0.00 0.00 177.57 178.36 1dk5 h ILE 598 N -0.95 0.80 -0.38 4.57 2.04 -1.35 -1.95 117.51 120.30 1dk5 h ILE 598 Ca -0.03 -0.12 0.08 0.00 1.00 0.00 0.00 64.86 65.79 1dk5 h ILE 598 Cb 0.47 0.43 -0.08 0.00 -0.74 0.00 0.00 36.82 36.90 1dk5 h ILE 598 CO 0.05 0.06 -0.20 -0.09 0.00 0.00 0.00 178.15 177.97 1dk5 h ARG 599 N 0.35 -0.14 -0.23 2.37 2.43 -0.77 0.82 114.38 119.22 1dk5 h ARG 599 Ca 0.25 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.38 1dk5 h ARG 599 Cb 0.29 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1dk5 h ARG 599 CO -0.27 -0.09 -0.06 0.82 -1.51 0.00 0.00 179.97 178.86 1dk5 h ILE 600 N -0.14 1.29 0.00 1.20 2.04 -1.29 -2.14 117.51 118.47 1dk5 h ILE 600 Ca 0.19 -1.08 -0.03 0.00 1.00 0.00 0.00 64.86 64.94 1dk5 h ILE 600 Cb 0.43 1.53 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1dk5 h ILE 600 CO -0.47 0.33 -0.14 -0.07 0.00 0.00 0.00 178.15 177.80 1dk5 h LEU 601 N 0.17 0.00 0.00 1.44 3.38 -1.12 -3.03 115.31 116.16 1dk5 h LEU 601 Ca 0.06 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.74 1dk5 h LEU 601 Cb 0.53 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 1dk5 h LEU 601 CO 0.02 0.14 -1.54 0.00 0.09 0.00 0.00 178.44 177.16 1dk5 n ALA 602 N -2.16 0.87 0.03 1.53 0.00 0.26 -4.66 120.51 116.38 1dk5 n ALA 602 Ca 0.01 -0.61 -0.08 0.00 0.00 0.00 0.00 53.44 52.76 1dk5 n ALA 602 Cb 0.43 -0.43 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1dk5 n ALA 602 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1dk5 h THR 603 N -0.96 1.33 -4.06 0.00 1.35 -1.54 -3.44 112.91 105.59 1dk5 h THR 603 Ca -0.42 -3.10 -0.49 0.00 -0.55 0.00 0.00 66.41 61.85 1dk5 h THR 603 Cb 1.39 2.66 0.05 0.00 -1.73 0.00 0.00 68.15 70.53 1dk5 h THR 603 CO -0.24 0.76 0.42 -0.13 -0.25 0.00 0.00 175.52 176.09 1dk5 s ARG 604 N -2.66 3.58 0.68 4.72 1.81 -1.14 -4.61 118.95 121.32 1dk5 s ARG 604 Ca -0.02 1.56 -0.16 0.00 -1.72 0.00 0.00 55.73 55.39 1dk5 s ARG 604 Cb 0.09 -2.11 0.01 0.00 -0.45 0.00 0.00 34.95 32.49 1dk5 s ARG 604 CO 0.82 -0.65 1.17 -1.54 -0.68 0.00 0.00 175.30 174.43 1dk5 s SER 605 N -1.76 4.71 0.44 0.23 1.04 -1.26 -4.81 113.70 112.29 1dk5 s SER 605 Ca 0.69 2.25 0.10 0.00 0.48 0.00 0.00 55.95 59.47 1dk5 s SER 605 Cb -0.22 -2.58 0.97 0.00 0.10 0.00 0.00 66.02 64.29 1dk5 s SER 605 CO 0.26 -1.91 2.06 0.11 0.98 0.00 0.00 173.24 174.74 1dk5 h LYS 606 N 0.08 0.32 0.08 4.02 1.57 -1.86 0.38 116.57 121.17 1dk5 h LYS 606 Ca -0.48 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1dk5 h LYS 606 Cb 1.28 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1dk5 h LYS 606 CO 0.52 0.25 -0.04 0.00 -0.57 0.00 0.00 179.45 179.62 1dk5 h ALA 607 N 1.80 -0.11 -0.92 3.86 0.00 -1.89 -1.17 119.26 120.84 1dk5 h ALA 607 Ca 0.09 -0.27 0.15 0.00 0.00 0.00 0.00 54.91 54.87 1dk5 h ALA 607 Cb 0.04 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 1dk5 h ALA 607 CO -0.01 -0.24 0.59 0.37 0.00 0.00 0.00 179.25 179.95 1dk5 h GLN 608 N -0.75 0.71 -0.27 0.00 5.75 -1.72 0.87 115.11 119.70 1dk5 h GLN 608 Ca -0.01 -0.04 -0.15 0.00 -0.15 0.00 0.00 58.65 58.30 1dk5 h GLN 608 Cb 0.58 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 1dk5 h GLN 608 CO 0.02 0.47 -0.44 -0.07 -2.65 0.00 0.00 178.83 176.15 1dk5 h LEU 609 N 0.73 0.73 -0.10 -2.39 3.38 -0.83 -1.20 115.31 115.63 1dk5 h LEU 609 Ca 0.47 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1dk5 h LEU 609 Cb 0.74 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1dk5 h LEU 609 CO -0.23 1.07 0.01 -1.13 0.09 0.00 0.00 178.44 178.24 1dk5 h ASN 610 N 0.54 0.16 -0.31 -0.43 -0.00 0.15 -0.97 115.58 114.73 1dk5 h ASN 610 Ca 0.04 -0.28 0.07 0.00 -0.00 0.00 0.00 56.30 56.12 1dk5 h ASN 610 Cb 0.99 -0.04 -0.08 0.00 -0.00 0.00 0.00 38.32 39.19 1dk5 h ASN 610 CO 0.09 0.41 -0.20 0.00 -0.00 0.00 0.00 177.43 177.73 1dk5 h ALA 611 N 0.76 0.00 -0.35 1.57 0.00 -0.84 -0.50 119.26 119.91 1dk5 h ALA 611 Ca 0.03 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1dk5 h ALA 611 Cb 0.32 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 1dk5 h ALA 611 CO 0.00 -0.60 -0.52 1.15 0.00 0.00 0.00 179.25 179.28 1dk5 h THR 612 N -0.17 0.00 -0.38 0.00 2.02 -0.75 -1.48 112.91 112.15 1dk5 h THR 612 Ca 0.16 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 1dk5 h THR 612 Cb 0.42 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1dk5 h THR 612 CO -0.41 0.00 0.19 -0.07 0.37 0.00 0.00 175.52 175.59 1dk5 h LEU 613 N -0.39 0.46 0.37 2.58 3.38 -0.97 -1.91 115.31 118.83 1dk5 h LEU 613 Ca 0.06 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1dk5 h LEU 613 Cb 0.56 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1dk5 h LEU 613 CO -0.54 0.40 -0.18 0.78 0.09 0.00 0.00 178.44 178.99 1dk5 h ASN 614 N 0.53 -0.42 -1.01 -0.43 -0.26 -0.35 -1.58 115.58 112.07 1dk5 h ASN 614 Ca 0.14 -0.02 0.16 0.00 -0.56 0.00 0.00 56.30 56.01 1dk5 h ASN 614 Cb 0.05 0.11 -0.10 0.00 -1.06 0.00 0.00 38.32 37.32 1dk5 h ASN 614 CO -0.02 -0.25 0.62 -0.74 -1.06 0.00 0.00 177.43 175.98 1dk5 h HIS 615 N -0.56 1.11 -0.30 1.19 2.76 -0.99 -0.11 115.15 118.26 1dk5 h HIS 615 Ca -0.05 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1dk5 h HIS 615 Cb 0.42 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 1dk5 h HIS 615 CO -0.04 0.34 0.19 -0.92 -1.30 0.00 0.00 177.93 176.20 1dk5 h TYR 616 N 0.87 0.38 0.14 5.26 3.20 -0.67 -2.26 116.97 123.89 1dk5 h TYR 616 Ca 0.54 0.01 -0.29 0.00 3.14 0.00 0.00 58.73 62.13 1dk5 h TYR 616 Cb 0.71 -0.13 0.03 0.00 1.54 0.00 0.00 36.73 38.89 1dk5 h TYR 616 CO -0.00 0.25 -1.20 -0.22 -1.64 0.00 0.00 178.16 175.34 1dk5 h LYS 617 N 0.40 0.57 0.00 1.82 3.64 -0.08 -2.91 116.57 120.02 1dk5 h LYS 617 Ca 0.11 -0.80 -0.02 0.00 -1.27 0.00 0.00 60.65 58.67 1dk5 h LYS 617 Cb -0.03 0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1dk5 h LYS 617 CO -0.02 1.36 -0.09 -0.44 -2.27 0.00 0.00 179.45 177.99 1dk5 h ASP 618 N 0.16 0.00 0.00 4.20 3.32 -1.13 0.30 116.42 123.27 1dk5 h ASP 618 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1dk5 h ASP 618 Cb 1.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.45 1dk5 h ASP 618 CO 0.23 0.09 0.00 -0.62 -1.72 0.00 0.00 179.24 177.22 1dk5 n GLU 619 N -3.66 0.00 0.00 3.56 1.02 -0.88 -4.49 120.64 116.19 1dk5 n GLU 619 Ca -0.02 0.23 0.09 0.00 -0.02 0.00 0.00 57.16 57.45 1dk5 n GLU 619 Cb 0.20 -0.69 0.56 0.00 -0.02 0.00 0.00 31.44 31.49 1dk5 n GLU 619 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1dk5 n HIS 620 N -1.91 0.00 0.00 -0.32 8.25 -1.10 -4.88 115.22 115.26 1dk5 n HIS 620 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1dk5 n HIS 620 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1dk5 n HIS 620 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dk5 n GLY 621 N 0.52 0.62 3.70 -1.41 0.00 0.09 -4.86 105.19 103.86 1dk5 n GLY 621 Ca 0.14 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1dk5 n GLY 621 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dk5 s GLU 622 N 0.00 4.37 0.36 1.61 0.41 -1.26 -4.83 118.70 119.36 1dk5 s GLU 622 Ca 0.00 1.86 -0.28 0.00 -0.41 0.00 0.00 54.97 56.14 1dk5 s GLU 622 Cb 0.00 -3.40 -0.12 0.00 -1.78 0.00 0.00 34.13 28.83 1dk5 s GLU 622 CO 0.00 -0.39 1.44 -3.47 -0.49 0.00 0.00 175.26 172.35 1dk5 n ASP 623 N 4.40 3.48 0.08 -0.19 -0.08 -1.26 -4.57 116.55 118.41 1dk5 n ASP 623 Ca 0.11 1.21 0.21 0.00 -1.51 0.00 0.00 54.79 54.81 1dk5 n ASP 623 Cb 0.45 -1.57 0.72 0.00 2.34 0.00 0.00 41.12 43.06 1dk5 n ASP 623 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1dk5 h ILE 624 N 2.87 0.31 -0.21 5.18 2.10 -1.88 -0.10 117.51 125.80 1dk5 h ILE 624 Ca -0.49 0.00 -0.21 0.00 1.08 0.00 0.00 64.86 65.24 1dk5 h ILE 624 Cb 1.25 0.59 0.01 0.00 -1.09 0.00 0.00 36.82 37.58 1dk5 h ILE 624 CO 0.65 0.00 -0.68 -0.07 -1.08 0.00 0.00 178.15 176.97 1dk5 h LEU 625 N 0.00 0.94 -2.67 2.19 3.38 -1.96 -2.28 115.31 114.91 1dk5 h LEU 625 Ca 0.21 -0.57 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 1dk5 h LEU 625 Cb 1.22 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1dk5 h LEU 625 CO -0.00 1.37 -0.01 0.11 0.09 0.00 0.00 178.44 180.00 1dk5 h LYS 626 N 0.59 0.00 0.00 1.13 1.79 -1.36 0.40 116.57 119.12 1dk5 h LYS 626 Ca -0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1dk5 h LYS 626 Cb 1.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 1dk5 h LYS 626 CO 0.14 0.01 -0.91 0.94 -1.08 0.00 0.00 179.45 178.55 1dk5 n GLN 627 N -3.38 0.48 -0.37 3.15 -0.06 -1.13 -3.95 117.38 112.12 1dk5 n GLN 627 Ca -0.03 0.09 0.08 0.00 -2.00 0.00 0.00 57.00 55.15 1dk5 n GLN 627 Cb 0.10 -1.76 0.25 0.00 -4.06 0.00 0.00 30.24 24.77 1dk5 n GLN 627 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1dk5 n LEU 628 N -2.43 3.73 -4.58 1.69 4.77 0.13 -4.92 117.00 115.39 1dk5 n LEU 628 Ca 0.01 -2.35 -0.41 0.00 -0.03 0.00 0.00 56.01 53.22 1dk5 n LEU 628 Cb 0.51 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1dk5 n LEU 628 CO 0.39 0.76 1.38 -1.61 -1.33 0.00 0.00 177.39 176.98 1dk5 s GLU 629 N -1.65 3.20 -0.45 3.23 2.02 -0.46 -4.83 118.70 119.75 1dk5 s GLU 629 Ca 0.37 0.71 0.06 0.00 0.02 0.00 0.00 54.97 56.13 1dk5 s GLU 629 Cb 0.24 -4.18 0.30 0.00 0.10 0.00 0.00 34.13 30.59 1dk5 s GLU 629 CO 0.18 -2.05 1.09 -3.47 0.02 0.00 0.00 175.26 171.03 1dk5 n ASP 630 N 10.28 -2.36 0.00 -0.19 -0.08 -1.26 -5.09 116.55 117.85 1dk5 n ASP 630 Ca 0.16 -3.40 0.00 0.00 -1.51 0.00 0.00 54.79 50.04 1dk5 n ASP 630 Cb 0.49 1.81 0.00 0.00 2.34 0.00 0.00 41.12 45.77 1dk5 n ASP 630 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1dk5 n GLY 631 N 0.72 0.50 0.52 0.27 0.00 -1.26 -4.87 105.19 101.08 1dk5 n GLY 631 Ca 0.06 0.47 -0.08 0.00 0.00 0.00 0.00 46.02 46.46 1dk5 n GLY 631 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1dk5 n ASP 632 N 2.62 -0.12 -0.32 1.61 4.64 -1.26 -4.40 116.55 119.33 1dk5 n ASP 632 Ca 0.00 0.17 0.04 0.00 -1.38 0.00 0.00 54.79 53.62 1dk5 n ASP 632 Cb 0.00 -0.14 0.18 0.00 -1.04 0.00 0.00 41.12 40.12 1dk5 n ASP 632 CO 0.00 0.00 0.00 -0.08 -0.82 0.00 0.00 177.20 176.30 1dk5 h GLU 633 N 0.27 0.88 -0.60 -0.67 4.81 -1.99 -1.21 114.58 116.07 1dk5 h GLU 633 Ca -0.06 -0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.23 1dk5 h GLU 633 Cb 0.22 -0.20 -0.08 0.00 0.63 0.00 0.00 28.75 29.32 1dk5 h GLU 633 CO 0.09 0.58 0.17 0.35 -0.73 0.00 0.00 179.01 179.48 1dk5 h PHE 634 N 0.91 0.29 -0.27 0.92 3.57 -1.98 0.34 116.94 120.72 1dk5 h PHE 634 Ca 0.42 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.85 1dk5 h PHE 634 Cb 0.34 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1dk5 h PHE 634 CO -0.04 0.03 -0.28 0.28 -2.23 0.00 0.00 178.31 176.07 1dk5 h VAL 635 N 0.32 1.28 -0.49 1.41 2.07 -1.56 -0.40 116.25 118.88 1dk5 h VAL 635 Ca 0.31 -1.36 -0.12 0.00 0.82 0.00 0.00 66.70 66.35 1dk5 h VAL 635 Cb 0.43 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1dk5 h VAL 635 CO -0.36 0.43 -0.16 0.00 0.02 0.00 0.00 177.57 177.50 1dk5 h ALA 636 N 1.21 0.78 -0.28 1.67 0.00 -0.10 -1.89 119.26 120.65 1dk5 h ALA 636 Ca 0.06 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1dk5 h ALA 636 Cb 0.74 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1dk5 h ALA 636 CO 0.06 0.66 -0.08 -0.07 0.00 0.00 0.00 179.25 179.82 1dk5 h LEU 637 N 0.84 0.43 -0.77 0.00 3.38 0.38 -1.11 115.31 118.46 1dk5 h LEU 637 Ca 0.12 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1dk5 h LEU 637 Cb 0.72 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1dk5 h LEU 637 CO 0.06 0.56 -0.26 -0.07 0.09 0.00 0.00 178.44 178.81 1dk5 h LEU 638 N 0.43 0.66 -1.07 1.67 3.38 -0.77 0.40 115.31 120.00 1dk5 h LEU 638 Ca 0.09 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1dk5 h LEU 638 Cb 0.41 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1dk5 h LEU 638 CO 0.02 0.89 -0.44 0.03 0.09 0.00 0.00 178.44 179.03 1dk5 h ARG 639 N 0.56 0.00 -0.01 1.13 3.08 -0.64 0.24 114.38 118.74 1dk5 h ARG 639 Ca 0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1dk5 h ARG 639 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1dk5 h ARG 639 CO 0.06 0.44 -0.02 0.00 -1.07 0.00 0.00 179.97 179.38 1dk5 h ALA 640 N 1.56 0.01 0.36 0.04 0.00 -0.73 0.94 119.26 121.43 1dk5 h ALA 640 Ca -0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1dk5 h ALA 640 Cb 0.83 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1dk5 h ALA 640 CO 0.06 -0.16 -0.42 1.15 0.00 0.00 0.00 179.25 179.88 1dk5 h THR 641 N -0.60 0.15 -0.35 0.00 2.02 -0.00 0.28 112.91 114.42 1dk5 h THR 641 Ca -0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1dk5 h THR 641 Cb 0.65 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1dk5 h THR 641 CO 0.00 0.00 0.17 0.40 0.37 0.00 0.00 175.52 176.47 1dk5 h ILE 642 N -0.82 0.98 -0.01 3.11 2.04 -0.57 -0.39 117.51 121.85 1dk5 h ILE 642 Ca -0.03 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.73 1dk5 h ILE 642 Cb 0.74 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1dk5 h ILE 642 CO -0.10 0.06 -0.35 0.50 0.00 0.00 0.00 178.15 178.27 1dk5 h LYS 643 N 0.35 -0.41 -0.70 2.37 1.63 -0.40 -2.30 116.57 117.11 1dk5 h LYS 643 Ca 0.15 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.97 1dk5 h LYS 643 Cb 0.06 0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.75 1dk5 h LYS 643 CO -0.11 -0.28 0.41 0.78 -3.45 0.00 0.00 179.45 176.81 1dk5 h GLY 644 N -0.43 1.02 1.54 5.01 0.00 -0.14 0.74 103.07 110.82 1dk5 h GLY 644 Ca 0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 1dk5 h GLY 644 CO -0.24 0.42 0.17 1.41 0.00 0.00 0.00 176.54 178.31 1dk5 h LEU 645 N 0.95 0.53 0.00 3.11 3.38 -0.98 -3.31 115.31 119.00 1dk5 h LEU 645 Ca 0.25 -0.05 -0.27 0.00 0.09 0.00 0.00 57.88 57.89 1dk5 h LEU 645 Cb -0.01 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1dk5 h LEU 645 CO -0.04 0.49 -1.88 0.52 0.09 0.00 0.00 178.44 177.61 1dk5 n VAL 646 N -4.38 0.96 -2.82 1.22 0.31 -0.87 -4.76 118.33 107.99 1dk5 n VAL 646 Ca 0.03 -0.21 -0.36 0.00 -0.01 0.00 0.00 64.34 63.78 1dk5 n VAL 646 Cb 0.14 -1.75 -0.00 0.00 -0.91 0.00 0.00 33.84 31.32 1dk5 n VAL 646 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1dk5 n TYR 647 N -3.78 3.14 -0.11 3.52 4.01 0.25 -4.93 117.16 119.25 1dk5 n TYR 647 Ca -0.32 -3.08 -0.14 0.00 -0.16 0.00 0.00 57.90 54.20 1dk5 n TYR 647 Cb 0.71 -0.96 -0.09 0.00 -0.31 0.00 0.00 39.34 38.69 1dk5 n TYR 647 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1dk5 h PRO 648 N 4.00 -0.41 -0.34 -0.72 0.13 -1.65 -1.53 132.00 131.48 1dk5 h PRO 648 Ca 0.36 0.03 0.07 0.00 -0.87 0.00 0.00 66.00 65.59 1dk5 h PRO 648 Cb 0.43 0.09 -0.08 0.00 0.13 0.00 0.00 31.00 31.58 1dk5 h PRO 648 CO 1.07 -0.27 -0.18 0.93 -0.23 0.00 0.00 178.00 179.32 1dk5 h GLU 649 N -0.43 -0.12 -0.84 0.86 4.39 -1.93 -0.78 114.58 115.74 1dk5 h GLU 649 Ca 0.07 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1dk5 h GLU 649 Cb 0.61 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.25 1dk5 h GLU 649 CO -0.56 -0.08 0.49 0.45 -1.16 0.00 0.00 179.01 178.14 1dk5 h HIS 650 N -0.13 1.12 -0.43 4.33 3.86 -1.93 0.20 115.15 122.18 1dk5 h HIS 650 Ca 0.17 -0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.46 1dk5 h HIS 650 Cb 0.39 -0.36 -0.09 0.00 1.06 0.00 0.00 27.41 28.40 1dk5 h HIS 650 CO -0.39 0.76 -0.21 -0.92 0.86 0.00 0.00 177.93 178.04 1dk5 h TYR 651 N 1.16 -0.52 -0.45 2.45 3.20 -0.14 0.23 116.97 122.90 1dk5 h TYR 651 Ca 0.30 0.05 -0.14 0.00 3.14 0.00 0.00 58.73 62.08 1dk5 h TYR 651 Cb -0.02 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1dk5 h TYR 651 CO 0.00 -0.29 -0.27 0.74 -1.64 0.00 0.00 178.16 176.70 1dk5 h PHE 652 N -0.12 1.13 -0.76 -3.82 0.04 -0.44 -2.09 116.94 110.88 1dk5 h PHE 652 Ca 0.21 -0.29 0.02 0.00 2.80 0.00 0.00 57.97 60.70 1dk5 h PHE 652 Cb 0.44 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 38.30 1dk5 h PHE 652 CO -0.46 1.12 0.50 0.28 -0.60 0.00 0.00 178.31 179.15 1dk5 h VAL 653 N 0.82 1.17 0.69 -0.55 2.07 0.30 0.27 116.25 121.03 1dk5 h VAL 653 Ca 0.09 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1dk5 h VAL 653 Cb 0.86 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1dk5 h VAL 653 CO 0.08 0.18 -0.33 -0.33 0.02 0.00 0.00 177.57 177.18 1dk5 h GLU 654 N 0.99 -0.90 -0.86 1.57 5.08 -0.24 0.35 114.58 120.56 1dk5 h GLU 654 Ca 0.29 0.06 0.22 0.00 -1.00 0.00 0.00 59.36 58.93 1dk5 h GLU 654 Cb -0.06 0.20 -0.15 0.00 0.50 0.00 0.00 28.75 29.25 1dk5 h GLU 654 CO -0.07 -0.60 0.08 0.28 -1.00 0.00 0.00 179.01 177.70 1dk5 h VAL 655 N -0.98 0.23 -0.38 3.13 2.07 -0.94 0.91 116.25 120.30 1dk5 h VAL 655 Ca -0.10 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1dk5 h VAL 655 Cb 0.71 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1dk5 h VAL 655 CO 0.16 0.02 0.11 -0.07 0.02 0.00 0.00 177.57 177.81 1dk5 h LEU 656 N 0.10 0.56 -0.70 2.57 3.38 -0.24 -1.32 115.31 119.65 1dk5 h LEU 656 Ca 0.51 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 1dk5 h LEU 656 Cb 0.99 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1dk5 h LEU 656 CO -0.74 0.62 0.36 -0.09 0.09 0.00 0.00 178.44 178.68 1dk5 h ARG 657 N 0.46 0.99 -0.71 1.13 2.43 0.40 -0.75 114.38 118.33 1dk5 h ARG 657 Ca 0.12 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1dk5 h ARG 657 Cb 0.27 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1dk5 h ARG 657 CO -0.00 0.76 0.00 -3.47 -1.51 0.00 0.00 179.97 175.75 1dk5 n ASP 658 N -4.47 1.19 -0.00 -3.80 4.64 0.27 -3.73 116.55 110.64 1dk5 n ASP 658 Ca 0.06 -2.07 -0.01 0.00 -1.38 0.00 0.00 54.79 51.39 1dk5 n ASP 658 Cb 0.11 -0.39 -0.00 0.00 -1.04 0.00 0.00 41.12 39.80 1dk5 n ASP 658 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1dk5 n ALA 659 N -0.03 2.91 -2.38 -1.67 0.00 -0.37 -4.94 120.51 114.03 1dk5 n ALA 659 Ca 0.03 -0.04 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 1dk5 n ALA 659 Cb 0.27 0.49 -0.02 0.00 0.00 0.00 0.00 19.45 20.18 1dk5 n ALA 659 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1dk5 s ILE 660 N -2.02 4.09 0.17 0.00 1.09 -0.69 -2.36 121.20 121.49 1dk5 s ILE 660 Ca -0.01 1.23 0.01 0.00 -1.10 0.00 0.00 60.65 60.77 1dk5 s ILE 660 Cb 0.00 -4.10 -0.04 0.00 -1.06 0.00 0.00 42.46 37.26 1dk5 s ILE 660 CO 0.02 -0.45 0.04 0.20 -0.10 0.00 0.00 174.94 174.65 1dk5 s ASN 661 N 2.96 0.83 0.00 3.58 -0.87 -1.26 -4.91 114.94 115.27 1dk5 s ASN 661 Ca 0.58 -1.23 0.00 0.00 -1.57 0.00 0.00 52.86 50.64 1dk5 s ASN 661 Cb -0.18 0.20 0.00 0.00 -0.02 0.00 0.00 41.25 41.26 1dk5 s ASN 661 CO 0.24 -0.67 0.00 -2.11 -2.57 0.00 0.00 177.10 171.99 1dk5 n ARG 662 N -0.23 0.00 -3.21 -0.60 1.85 -1.26 -4.36 116.66 108.86 1dk5 n ARG 662 Ca -0.05 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.42 1dk5 n ARG 662 Cb 0.64 -0.21 -0.06 0.00 -1.05 0.00 0.00 32.46 31.78 1dk5 n ARG 662 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1dk5 s ARG 663 N 0.00 4.34 0.00 2.89 0.52 -1.26 -4.71 118.95 120.73 1dk5 s ARG 663 Ca 0.00 0.59 0.00 0.00 -0.52 0.00 0.00 55.73 55.80 1dk5 s ARG 663 Cb 0.00 -3.47 0.00 0.00 0.52 0.00 0.00 34.95 32.00 1dk5 s ARG 663 CO 0.00 0.05 0.00 0.41 0.02 0.00 0.00 175.30 175.78 1dk5 n GLY 664 N 3.35 -0.75 3.91 -3.53 0.00 -1.26 -5.08 105.19 101.83 1dk5 n GLY 664 Ca -0.04 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 1dk5 n GLY 664 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dk5 s THR 665 N -0.73 4.98 -0.83 2.61 2.01 -1.26 -4.35 115.64 118.07 1dk5 s THR 665 Ca 0.00 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.04 1dk5 s THR 665 Cb 0.00 -3.81 0.31 0.00 0.01 0.00 0.00 72.50 69.01 1dk5 s THR 665 CO 0.00 -0.56 1.29 -0.62 -0.69 0.00 0.00 174.62 174.03 1dk5 n GLU 666 N -1.59 4.03 -0.35 4.92 1.02 -0.99 -4.89 120.64 122.78 1dk5 n GLU 666 Ca -0.01 -4.71 0.25 0.00 -0.02 0.00 0.00 57.16 52.67 1dk5 n GLU 666 Cb 0.55 -2.37 0.51 0.00 -0.02 0.00 0.00 31.44 30.11 1dk5 n GLU 666 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1dk5 h GLU 667 N 4.10 0.33 -0.38 3.49 5.08 -1.96 0.89 114.58 126.13 1dk5 h GLU 667 Ca 0.28 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.67 1dk5 h GLU 667 Cb 0.50 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.60 1dk5 h GLU 667 CO 1.04 0.22 -0.54 -0.44 -1.00 0.00 0.00 179.01 178.28 1dk5 h ASP 668 N 0.34 -1.81 -0.25 1.42 3.32 -1.99 -1.10 116.42 116.35 1dk5 h ASP 668 Ca 0.69 0.24 -0.05 0.00 0.02 0.00 0.00 57.03 57.93 1dk5 h ASP 668 Cb 1.73 0.74 -0.01 0.00 0.22 0.00 0.00 39.33 42.01 1dk5 h ASP 668 CO -0.45 -0.41 -0.03 0.45 -1.72 0.00 0.00 179.24 177.08 1dk5 h HIS 669 N -0.42 0.51 -0.31 4.55 3.86 -1.27 -2.68 115.15 119.39 1dk5 h HIS 669 Ca 0.08 -0.10 0.06 0.00 -1.16 0.00 0.00 60.37 59.25 1dk5 h HIS 669 Cb 0.61 -0.13 -0.08 0.00 1.06 0.00 0.00 27.41 28.87 1dk5 h HIS 669 CO -0.70 0.65 -0.43 1.25 0.86 0.00 0.00 177.93 179.56 1dk5 h LEU 670 N 0.22 -1.39 -0.46 2.43 6.46 -1.12 -1.79 115.31 119.65 1dk5 h LEU 670 Ca 0.07 0.20 0.08 0.00 -0.12 0.00 0.00 57.88 58.11 1dk5 h LEU 670 Cb 0.47 0.59 -0.07 0.00 -0.73 0.00 0.00 40.66 40.92 1dk5 h LEU 670 CO 0.02 -0.39 0.05 0.74 -0.62 0.00 0.00 178.44 178.24 1dk5 h THR 671 N -0.38 0.70 -0.40 1.05 2.02 -1.17 -1.49 112.91 113.23 1dk5 h THR 671 Ca 0.12 -0.06 0.07 0.00 0.77 0.00 0.00 66.41 67.31 1dk5 h THR 671 Cb 0.60 0.51 -0.06 0.00 -1.74 0.00 0.00 68.15 67.45 1dk5 h THR 671 CO -0.51 0.03 0.00 -0.09 0.37 0.00 0.00 175.52 175.32 1dk5 h ARG 672 N 0.17 0.11 0.60 6.66 2.43 -0.98 -1.38 114.38 121.98 1dk5 h ARG 672 Ca 0.23 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 1dk5 h ARG 672 Cb 0.32 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1dk5 h ARG 672 CO -0.34 0.07 -0.29 0.28 -1.51 0.00 0.00 179.97 178.18 1dk5 h VAL 673 N 0.11 0.33 -0.97 0.20 2.07 -0.93 -1.84 116.25 115.22 1dk5 h VAL 673 Ca 0.20 -0.24 0.13 0.00 0.82 0.00 0.00 66.70 67.61 1dk5 h VAL 673 Cb 0.28 0.41 -0.08 0.00 -1.52 0.00 0.00 31.29 30.38 1dk5 h VAL 673 CO -0.33 0.03 0.61 0.40 0.02 0.00 0.00 177.57 178.30 1dk5 h ILE 674 N -0.98 0.88 0.18 4.57 1.08 -1.07 0.03 117.51 122.20 1dk5 h ILE 674 Ca -0.08 -0.30 -0.35 0.00 -0.39 0.00 0.00 64.86 63.73 1dk5 h ILE 674 Cb 0.67 -0.08 0.01 0.00 -3.07 0.00 0.00 36.82 34.34 1dk5 h ILE 674 CO 0.14 0.16 -1.78 0.00 -0.69 0.00 0.00 178.15 175.97 1dk5 h ALA 675 N 1.57 0.18 0.00 1.87 0.00 -1.29 -2.96 119.26 118.62 1dk5 h ALA 675 Ca 0.49 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1dk5 h ALA 675 Cb 0.59 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1dk5 h ALA 675 CO -0.25 1.05 0.00 1.79 0.00 0.00 0.00 179.25 181.84 1dk5 h THR 676 N 0.10 0.00 -0.01 0.00 1.35 -1.13 -3.32 112.91 109.91 1dk5 h THR 676 Ca -0.35 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 1dk5 h THR 676 Cb 2.10 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 70.13 1dk5 h THR 676 CO 0.17 0.00 -0.08 0.54 -0.25 0.00 0.00 175.52 175.90 1dk5 n ARG 677 N -2.66 1.35 -0.11 4.72 5.12 -0.02 -4.66 116.66 120.40 1dk5 n ARG 677 Ca 0.04 -0.65 -0.10 0.00 -1.93 0.00 0.00 57.85 55.21 1dk5 n ARG 677 Cb 0.43 -1.03 -0.03 0.00 -1.16 0.00 0.00 32.46 30.67 1dk5 n ARG 677 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1dk5 h ALA 678 N 1.17 0.43 -0.39 7.54 0.00 -1.62 0.75 119.26 127.15 1dk5 h ALA 678 Ca 0.00 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 1dk5 h ALA 678 Cb 0.24 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 17.81 1dk5 h ALA 678 CO 0.00 0.13 0.21 -0.85 0.00 0.00 0.00 179.25 178.73 1dk5 n GLU 679 N -4.60 1.90 0.00 0.00 0.28 -1.26 0.38 120.64 117.33 1dk5 n GLU 679 Ca -0.02 -1.35 0.00 0.00 -0.16 0.00 0.00 57.16 55.63 1dk5 n GLU 679 Cb 0.22 -1.61 0.00 0.00 1.43 0.00 0.00 31.44 31.48 1dk5 n GLU 679 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1dk5 n VAL 680 N -0.08 0.00 -1.64 3.84 0.31 -1.02 -4.84 118.33 114.90 1dk5 n VAL 680 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1dk5 n VAL 680 Cb 0.92 -0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.70 1dk5 n VAL 680 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1dk5 n ASP 681 N -2.41 0.00 0.29 4.52 3.85 -0.82 -2.34 116.55 119.64 1dk5 n ASP 681 Ca 0.00 -1.25 0.19 0.00 -0.71 0.00 0.00 54.79 53.01 1dk5 n ASP 681 Cb 0.00 -0.05 0.99 0.00 -1.35 0.00 0.00 41.12 40.71 1dk5 n ASP 681 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 1dk5 h LEU 682 N 0.00 0.00 -0.22 -2.12 5.85 -0.79 -0.36 115.31 117.67 1dk5 h LEU 682 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1dk5 h LEU 682 Cb 1.10 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1dk5 h LEU 682 CO 0.00 0.00 -0.01 0.50 -0.34 0.00 0.00 178.44 178.59 1dk5 h LYS 683 N 0.00 0.39 -0.26 1.25 3.64 -1.16 -1.34 116.57 119.08 1dk5 h LYS 683 Ca 0.00 -0.13 -0.15 0.00 -1.27 0.00 0.00 60.65 59.10 1dk5 h LYS 683 Cb 0.13 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1dk5 h LYS 683 CO 0.00 0.58 -0.43 0.82 -2.27 0.00 0.00 179.45 178.15 1dk5 h ILE 684 N 0.15 1.30 -0.12 2.00 1.08 -1.17 -2.43 117.51 118.31 1dk5 h ILE 684 Ca 0.06 -1.62 -0.01 0.00 -0.39 0.00 0.00 64.86 62.90 1dk5 h ILE 684 Cb 0.41 1.69 -0.01 0.00 -3.07 0.00 0.00 36.82 35.84 1dk5 h ILE 684 CO 0.01 0.52 0.03 0.40 -0.69 0.00 0.00 178.15 178.42 1dk5 h ILE 685 N 0.50 1.06 0.76 -0.67 2.04 -1.35 -1.30 117.51 118.55 1dk5 h ILE 685 Ca 0.02 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 1dk5 h ILE 685 Cb 1.03 0.95 0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1dk5 h ILE 685 CO 0.10 0.08 -0.36 0.00 0.00 0.00 0.00 178.15 177.96 1dk5 h ALA 686 N 1.87 -1.04 -0.10 1.87 0.00 -0.95 -1.88 119.26 119.03 1dk5 h ALA 686 Ca 0.04 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1dk5 h ALA 686 Cb 0.07 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1dk5 h ALA 686 CO -0.00 -0.96 -0.14 -0.44 0.00 0.00 0.00 179.25 177.70 1dk5 h ASP 687 N -1.25 -0.43 -0.36 0.00 5.19 -1.20 -0.25 116.42 118.12 1dk5 h ASP 687 Ca -0.10 0.08 0.10 0.00 -0.62 0.00 0.00 57.03 56.49 1dk5 h ASP 687 Cb 0.78 0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.48 1dk5 h ASP 687 CO 0.17 -0.19 0.27 -0.33 -3.12 0.00 0.00 179.24 176.04 1dk5 h GLU 688 N -0.19 0.00 0.05 3.56 4.39 -1.31 -2.10 114.58 118.97 1dk5 h GLU 688 Ca 0.08 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.55 1dk5 h GLU 688 Cb 0.30 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1dk5 h GLU 688 CO -0.21 0.00 -1.03 -0.92 -1.16 0.00 0.00 179.01 175.69 1dk5 h TYR 689 N 0.00 0.37 -0.04 4.33 5.03 -0.20 -3.18 116.97 123.28 1dk5 h TYR 689 Ca 0.17 -0.23 -0.16 0.00 2.58 0.00 0.00 58.73 61.09 1dk5 h TYR 689 Cb 0.71 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.95 1dk5 h TYR 689 CO 0.00 1.11 -0.68 -0.56 -1.32 0.00 0.00 178.16 176.72 1dk5 h GLN 690 N 0.10 0.20 0.22 1.82 3.07 -0.66 -3.22 115.11 116.64 1dk5 h GLN 690 Ca -0.08 -0.16 -0.01 0.00 0.09 0.00 0.00 58.65 58.50 1dk5 h GLN 690 Cb 1.72 0.03 0.00 0.00 0.08 0.00 0.00 27.48 29.31 1dk5 h GLN 690 CO 0.16 0.80 -0.10 0.87 0.09 0.00 0.00 178.83 180.65 1dk5 h LYS 691 N 0.14 -0.28 -0.18 0.06 1.57 -1.58 -2.98 116.57 113.31 1dk5 h LYS 691 Ca -0.02 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1dk5 h LYS 691 Cb 1.21 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.56 1dk5 h LYS 691 CO 0.10 -0.12 -0.10 -2.13 -0.57 0.00 0.00 179.45 176.63 1dk5 n ARG 692 N -5.18 -0.07 0.00 3.15 3.00 -1.20 -4.25 116.66 112.11 1dk5 n ARG 692 Ca -0.09 0.28 0.00 0.00 -0.00 0.00 0.00 57.85 58.04 1dk5 n ARG 692 Cb 0.17 -0.41 0.00 0.00 0.00 0.00 0.00 32.46 32.22 1dk5 n ARG 692 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1dk5 n ASP 693 N -4.24 0.00 0.00 6.15 8.00 -1.24 -5.11 116.55 120.11 1dk5 n ASP 693 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1dk5 n ASP 693 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1dk5 n ASP 693 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1dk5 n SER 694 N 0.00 0.00 -4.22 -2.24 2.88 -1.13 -5.06 113.62 103.85 1dk5 n SER 694 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 1dk5 n SER 694 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 1dk5 n SER 694 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1dk5 s ILE 695 N 0.00 1.67 1.20 2.46 -4.36 -1.25 -4.98 121.20 115.93 1dk5 s ILE 695 Ca 0.00 -0.89 -0.13 0.00 -0.26 0.00 0.00 60.65 59.37 1dk5 s ILE 695 Cb 0.00 -1.39 0.30 0.00 1.25 0.00 0.00 42.46 42.62 1dk5 s ILE 695 CO 0.00 0.47 1.01 -2.84 0.24 0.00 0.00 174.94 173.83 1dk5 s PRO 696 N -0.37 -1.20 -0.03 0.37 0.02 -1.26 -4.52 135.00 128.02 1dk5 s PRO 696 Ca 0.05 0.80 -0.24 0.00 0.02 0.00 0.00 61.00 61.63 1dk5 s PRO 696 Cb -0.09 -1.52 -0.17 0.00 0.02 0.00 0.00 34.50 32.73 1dk5 s PRO 696 CO 0.00 -3.90 1.08 1.25 -0.33 0.00 0.00 177.00 175.10 1dk5 h LEU 697 N -2.75 -0.19 -1.00 -5.54 6.46 -1.91 -2.14 115.31 108.25 1dk5 h LEU 697 Ca -0.63 -0.34 0.32 0.00 -0.12 0.00 0.00 57.88 57.12 1dk5 h LEU 697 Cb 1.34 0.05 -0.18 0.00 -0.73 0.00 0.00 40.66 41.14 1dk5 h LEU 697 CO 0.50 0.30 0.21 1.23 -0.62 0.00 0.00 178.44 180.06 1dk5 h GLY 698 N -0.74 1.62 0.24 3.75 0.00 -1.94 0.32 103.07 106.32 1dk5 h GLY 698 Ca -0.02 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1dk5 h GLY 698 CO 0.04 -0.62 -0.09 3.21 0.00 0.00 0.00 176.54 179.08 1dk5 h ARG 699 N 0.01 -0.23 -1.06 4.80 2.47 -1.93 -2.83 114.38 115.60 1dk5 h ARG 699 Ca 0.69 0.02 0.31 0.00 -1.26 0.00 0.00 59.98 59.73 1dk5 h ARG 699 Cb 1.59 0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 29.92 1dk5 h ARG 699 CO -0.87 0.04 0.88 0.00 0.56 0.00 0.00 179.97 180.57 1dk5 h ALA 700 N -0.75 2.94 0.00 0.04 0.00 -0.45 2.85 119.26 123.89 1dk5 h ALA 700 Ca -0.02 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1dk5 h ALA 700 Cb 0.38 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1dk5 h ALA 700 CO 0.04 -1.42 -0.69 0.82 0.00 0.00 0.00 179.25 177.99 1dk5 h ILE 701 N 0.00 1.27 0.00 0.00 2.04 -0.46 -3.25 117.51 117.11 1dk5 h ILE 701 Ca 0.50 -2.58 0.00 0.00 1.00 0.00 0.00 64.86 63.78 1dk5 h ILE 701 Cb 2.26 2.48 0.00 0.00 -0.74 0.00 0.00 36.82 40.82 1dk5 h ILE 701 CO -0.01 0.68 -0.62 0.00 0.00 0.00 0.00 178.15 178.20 1dk5 h ALA 702 N 1.31 0.62 -0.02 1.87 0.00 0.53 0.16 119.26 123.73 1dk5 h ALA 702 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1dk5 h ALA 702 Cb 1.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1dk5 h ALA 702 CO 0.09 0.00 -0.15 1.17 0.00 0.00 0.00 179.25 180.36 1dk5 n LYS 703 N -2.33 1.93 0.00 0.00 3.00 -0.45 -4.39 118.16 115.92 1dk5 n LYS 703 Ca 0.03 -1.57 0.00 0.00 -0.00 0.00 0.00 58.31 56.76 1dk5 n LYS 703 Cb 0.47 -1.47 0.00 0.00 0.00 0.00 0.00 35.03 34.03 1dk5 n LYS 703 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1dk5 n ASP 704 N 0.84 0.90 -4.06 3.14 8.00 -1.23 -4.99 116.55 119.15 1dk5 n ASP 704 Ca 0.13 -0.11 -0.31 0.00 0.71 0.00 0.00 54.79 55.20 1dk5 n ASP 704 Cb 0.54 0.41 -0.16 0.00 -0.02 0.00 0.00 41.12 41.89 1dk5 n ASP 704 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1dk5 s THR 705 N -0.59 1.78 0.50 -3.53 2.01 0.57 -4.92 115.64 111.47 1dk5 s THR 705 Ca 0.00 -0.83 0.09 0.00 0.31 0.00 0.00 61.69 61.25 1dk5 s THR 705 Cb 0.00 -1.68 0.05 0.00 0.01 0.00 0.00 72.50 70.88 1dk5 s THR 705 CO 0.00 0.43 0.69 -0.60 -0.69 0.00 0.00 174.62 174.45 1dk5 s ARG 706 N 1.39 2.56 4.39 4.92 3.00 -1.26 -4.57 118.95 129.38 1dk5 s ARG 706 Ca 0.04 -1.42 0.00 0.00 -1.00 0.00 0.00 55.73 53.35 1dk5 s ARG 706 Cb -0.14 -2.70 0.00 0.00 0.00 0.00 0.00 34.95 32.12 1dk5 s ARG 706 CO -0.11 -0.58 0.00 0.41 0.00 0.00 0.00 175.30 175.02 1dk5 n GLY 707 N -2.06 2.04 0.16 8.12 0.00 -1.26 -2.43 105.19 109.76 1dk5 n GLY 707 Ca 0.12 -0.45 0.02 0.00 0.00 0.00 0.00 46.02 45.71 1dk5 n GLY 707 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dk5 h ASP 708 N 8.12 0.00 -0.25 1.61 5.19 -1.99 -2.48 116.42 126.62 1dk5 h ASP 708 Ca 0.00 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.44 1dk5 h ASP 708 Cb 0.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 1dk5 h ASP 708 CO 0.00 0.51 0.09 0.22 -3.12 0.00 0.00 179.24 176.93 1dk5 h TYR 709 N 0.00 0.16 0.00 4.55 3.20 -1.92 -0.07 116.97 122.89 1dk5 h TYR 709 Ca -0.01 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1dk5 h TYR 709 Cb 1.00 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.23 1dk5 h TYR 709 CO 0.00 0.08 -0.08 1.49 -1.64 0.00 0.00 178.16 178.00 1dk5 h GLU 710 N 0.20 0.00 0.04 1.82 4.81 -1.14 -0.72 114.58 119.59 1dk5 h GLU 710 Ca 0.11 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1dk5 h GLU 710 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1dk5 h GLU 710 CO -0.11 0.08 -0.02 0.77 -0.73 0.00 0.00 179.01 179.00 1dk5 h SER 711 N 0.00 -0.04 -0.37 1.04 0.02 -0.88 -2.82 113.55 110.50 1dk5 h SER 711 Ca -0.00 -0.63 0.02 0.00 -0.84 0.00 0.00 61.79 60.34 1dk5 h SER 711 Cb 0.19 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 1dk5 h SER 711 CO 0.01 0.71 0.19 -0.03 -1.14 0.00 0.00 176.83 176.57 1dk5 h MET 712 N -0.90 0.38 0.36 3.45 1.85 -0.97 -1.72 114.93 117.38 1dk5 h MET 712 Ca -0.01 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.06 1dk5 h MET 712 Cb 0.68 -0.09 -0.03 0.00 0.43 0.00 0.00 31.60 32.59 1dk5 h MET 712 CO 0.01 0.25 -0.46 -0.07 -0.40 0.00 0.00 176.91 176.24 1dk5 h LEU 713 N 0.39 -1.29 -1.00 3.39 3.38 -1.22 -1.68 115.31 117.28 1dk5 h LEU 713 Ca 0.15 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.31 1dk5 h LEU 713 Cb 0.05 0.45 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 1dk5 h LEU 713 CO -0.10 -0.59 0.65 -0.07 0.09 0.00 0.00 178.44 178.42 1dk5 h LEU 714 N -0.86 1.03 -1.34 1.67 3.38 -1.42 -1.26 115.31 116.51 1dk5 h LEU 714 Ca -0.03 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1dk5 h LEU 714 Cb 0.79 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1dk5 h LEU 714 CO -0.12 0.65 -0.11 0.00 0.09 0.00 0.00 178.44 178.94 1dk5 h ALA 715 N 1.46 1.03 0.17 1.53 0.00 -1.06 0.19 119.26 122.58 1dk5 h ALA 715 Ca 0.44 -0.10 -0.30 0.00 0.00 0.00 0.00 54.91 54.95 1dk5 h ALA 715 Cb 0.20 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.99 1dk5 h ALA 715 CO -0.18 0.14 -1.32 -0.07 0.00 0.00 0.00 179.25 177.82 1dk5 h LEU 716 N 0.00 0.61 -0.68 0.00 3.38 -0.36 -3.31 115.31 114.95 1dk5 h LEU 716 Ca -0.00 -0.64 -0.14 0.00 0.09 0.00 0.00 57.88 57.19 1dk5 h LEU 716 Cb 0.61 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1dk5 h LEU 716 CO 0.01 1.49 -0.60 0.25 0.09 0.00 0.00 178.44 179.69 1dk5 h LEU 717 N 0.12 0.22 0.00 1.67 5.85 -0.77 -3.23 115.31 119.18 1dk5 h LEU 717 Ca -0.18 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1dk5 h LEU 717 Cb 2.02 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.99 1dk5 h LEU 717 CO 0.23 0.77 0.00 0.61 -0.34 0.00 0.00 178.44 179.71 1dk5 n GLY 718 N 0.25 0.71 1.64 3.75 0.00 0.64 -4.67 105.19 107.51 1dk5 n GLY 718 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1dk5 n GLY 718 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dk5 n GLN 719 N -2.00 1.60 0.00 1.61 6.02 -1.12 -4.60 117.38 118.89 1dk5 n GLN 719 Ca 0.00 -1.33 0.00 0.00 -0.01 0.00 0.00 57.00 55.66 1dk5 n GLN 719 Cb 0.00 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 29.74 1dk5 n GLN 719 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1dk5 n GLU 720 N 0.02 3.42 0.00 -1.09 2.13 -1.24 -4.94 120.64 118.94 1dk5 n GLU 720 Ca 0.26 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.08 1dk5 n GLU 720 Cb 0.86 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.57 1dk5 n GLU 720 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11