#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krm s GLU 406 N 0.00 2.77 -0.02 3.69 2.02 0.12 -4.81 118.70 122.46 3krm s GLU 406 Ca 0.00 -0.59 0.02 0.00 0.02 0.00 0.00 54.97 54.42 3krm s GLU 406 Cb 0.00 -2.49 0.01 0.00 0.10 0.00 0.00 34.13 31.75 3krm s GLU 406 CO 0.00 -0.55 -0.06 1.41 0.02 0.00 0.00 175.26 176.08 3krm s MET 407 N -4.71 0.68 0.00 1.61 1.75 -1.26 -1.41 119.30 115.97 3krm s MET 407 Ca 0.53 -0.18 0.02 0.00 -1.25 0.00 0.00 55.69 54.82 3krm s MET 407 Cb -0.10 -0.68 -0.01 0.00 2.84 0.00 0.00 34.83 36.88 3krm s MET 407 CO 0.39 0.04 -0.06 0.08 -0.65 0.00 0.00 175.02 174.82 3krm s VAL 408 N 0.36 0.44 -0.18 10.11 1.01 -0.22 -4.49 120.40 127.42 3krm s VAL 408 Ca -0.04 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 3krm s VAL 408 Cb -0.09 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 3krm s VAL 408 CO -0.00 0.03 -0.04 -1.10 0.00 0.00 0.00 175.10 173.98 3krm s GLN 409 N -0.39 3.53 -0.17 2.72 -0.21 -0.23 -0.81 119.66 124.10 3krm s GLN 409 Ca -0.00 -0.58 0.00 0.00 0.02 0.00 0.00 55.36 54.81 3krm s GLN 409 Cb -0.03 -2.95 0.01 0.00 1.00 0.00 0.00 33.01 31.04 3krm s GLN 409 CO -0.00 0.05 -0.17 0.08 -2.12 0.00 0.00 175.29 173.12 3krm s VAL 410 N 0.86 2.39 -0.24 1.09 1.01 0.65 -0.33 120.40 125.84 3krm s VAL 410 Ca -0.01 -0.84 -0.17 0.00 0.00 0.00 0.00 61.98 60.96 3krm s VAL 410 Cb -0.15 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 3krm s VAL 410 CO 0.01 0.52 0.47 -0.36 0.00 0.00 0.00 175.10 175.75 3krm s PHE 411 N 1.09 3.30 0.17 5.22 0.08 -0.18 0.10 117.98 127.76 3krm s PHE 411 Ca -0.00 0.62 0.09 0.00 0.12 0.00 0.00 56.93 57.76 3krm s PHE 411 Cb -0.14 -2.66 -0.04 0.00 -0.57 0.00 0.00 43.02 39.61 3krm s PHE 411 CO -0.06 -0.20 -0.14 0.96 -0.10 0.00 0.00 175.22 175.68 3krm s ILE 412 N 1.99 2.94 0.21 0.64 -4.36 -0.38 -4.09 121.20 118.15 3krm s ILE 412 Ca 0.20 -1.72 -0.32 0.00 -0.26 0.00 0.00 60.65 58.55 3krm s ILE 412 Cb -0.15 -2.43 -0.14 0.00 1.25 0.00 0.00 42.46 40.98 3krm s ILE 412 CO 0.09 -0.08 1.36 -2.65 0.24 0.00 0.00 174.94 173.91 3krm n PRO 413 N 0.21 1.79 -0.02 0.37 -0.02 -1.26 -0.66 135.00 135.41 3krm n PRO 413 Ca -0.12 0.64 0.05 0.00 -2.02 0.00 0.00 63.50 62.05 3krm n PRO 413 Cb 0.55 -2.27 0.43 0.00 -0.02 0.00 0.00 33.50 32.19 3krm n PRO 413 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3krm h ALA 414 N 4.21 1.74 0.00 3.55 0.00 -1.40 -1.02 119.26 126.34 3krm h ALA 414 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3krm h ALA 414 Cb 1.29 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3krm h ALA 414 CO 0.76 0.22 0.00 0.00 0.00 0.00 0.00 179.25 180.23 3krm n GLN 415 N -4.47 0.47 0.00 0.00 0.00 -1.26 -2.43 117.38 109.68 3krm n GLN 415 Ca 0.04 0.04 0.10 0.00 0.00 0.00 0.00 57.00 57.19 3krm n GLN 415 Cb 0.10 -1.50 0.06 0.00 0.00 0.00 0.00 30.24 28.90 3krm n GLN 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3krm n ALA 416 N -1.10 2.74 -0.13 2.61 0.00 -0.39 -4.46 120.51 119.78 3krm n ALA 416 Ca 0.12 -0.65 -0.06 0.00 0.00 0.00 0.00 53.44 52.85 3krm n ALA 416 Cb 0.09 -0.71 0.03 0.00 0.00 0.00 0.00 19.45 18.86 3krm n ALA 416 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3krm h VAL 417 N 3.56 0.98 0.04 0.00 2.07 -1.62 -1.10 116.25 120.18 3krm h VAL 417 Ca 0.00 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.40 3krm h VAL 417 Cb 0.82 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 3krm h VAL 417 CO 0.00 0.08 -0.36 1.23 0.02 0.00 0.00 177.57 178.54 3krm h GLY 418 N 0.44 -0.65 0.14 2.17 0.00 -1.83 0.73 103.07 104.07 3krm h GLY 418 Ca 0.18 0.43 0.16 0.00 0.00 0.00 0.00 47.33 48.10 3krm h GLY 418 CO -0.12 -0.25 0.43 0.00 0.00 0.00 0.00 176.54 176.60 3krm h ALA 419 N 0.10 1.31 0.00 3.60 0.00 -1.70 0.90 119.26 123.47 3krm h ALA 419 Ca 0.05 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3krm h ALA 419 Cb 0.61 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3krm h ALA 419 CO -0.26 -0.14 -0.36 0.82 0.00 0.00 0.00 179.25 179.30 3krm h ILE 420 N 0.57 0.65 0.02 0.00 1.08 -0.14 -3.23 117.51 116.47 3krm h ILE 420 Ca 0.48 -1.82 -0.10 0.00 -0.39 0.00 0.00 64.86 63.04 3krm h ILE 420 Cb 0.74 2.24 -0.01 0.00 -3.07 0.00 0.00 36.82 36.73 3krm h ILE 420 CO -0.40 0.36 -0.52 0.40 -0.69 0.00 0.00 178.15 177.30 3krm h ILE 421 N 0.00 1.48 0.00 -0.67 2.04 -0.33 -3.17 117.51 116.86 3krm h ILE 421 Ca -0.00 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.53 3krm h ILE 421 Cb 1.21 3.02 0.00 0.00 -0.74 0.00 0.00 36.82 40.32 3krm h ILE 421 CO 0.05 0.55 0.00 0.61 0.00 0.00 0.00 178.15 179.36 3krm n GLY 422 N 1.58 0.36 3.46 5.37 0.00 0.26 0.00 105.19 116.22 3krm n GLY 422 Ca -0.17 -1.66 -0.48 0.00 0.00 0.00 0.00 46.02 43.70 3krm n GLY 422 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3krm n LYS 423 N 0.57 0.99 -3.10 1.61 5.02 -1.26 -0.96 118.16 121.02 3krm n LYS 423 Ca 0.00 0.24 -0.13 0.00 -2.02 0.00 0.00 58.31 56.40 3krm n LYS 423 Cb 0.00 -2.48 0.07 0.00 -0.02 0.00 0.00 35.03 32.60 3krm n LYS 423 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3krm n LYS 424 N 8.31 -5.00 -1.18 1.97 5.02 -1.26 -3.41 118.16 122.60 3krm n LYS 424 Ca 0.43 0.66 -0.06 0.00 -2.02 0.00 0.00 58.31 57.32 3krm n LYS 424 Cb 0.24 -5.11 -0.03 0.00 -0.02 0.00 0.00 35.03 30.11 3krm n LYS 424 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3krm n GLY 425 N -1.11 0.69 0.00 0.72 0.00 -0.14 -4.90 105.19 100.45 3krm n GLY 425 Ca -0.22 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3krm n GLY 425 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3krm n GLN 426 N -0.76 0.00 -0.47 1.61 6.02 -1.14 -2.31 117.38 120.32 3krm n GLN 426 Ca -0.06 0.44 0.39 0.00 -0.01 0.00 0.00 57.00 57.76 3krm n GLN 426 Cb 0.47 -1.33 0.68 0.00 1.02 0.00 0.00 30.24 31.08 3krm n GLN 426 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3krm h HIS 427 N 0.00 0.38 0.15 1.08 2.76 -0.99 0.10 115.15 118.63 3krm h HIS 427 Ca 0.00 0.02 -0.35 0.00 -2.20 0.00 0.00 60.37 57.84 3krm h HIS 427 Cb 0.00 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 28.86 3krm h HIS 427 CO 0.16 -0.12 -1.78 0.97 -1.30 0.00 0.00 177.93 175.86 3krm h ILE 428 N 0.09 0.88 -0.17 6.26 2.10 -0.39 -0.02 117.51 126.27 3krm h ILE 428 Ca 0.79 -2.52 0.03 0.00 1.08 0.00 0.00 64.86 64.24 3krm h ILE 428 Cb 2.67 2.68 -0.03 0.00 -1.09 0.00 0.00 36.82 41.05 3krm h ILE 428 CO -0.28 0.85 -0.01 0.11 -1.08 0.00 0.00 178.15 177.73 3krm h LYS 429 N 0.09 0.04 -0.24 2.19 1.57 -0.62 -2.29 116.57 117.31 3krm h LYS 429 Ca -0.35 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.46 3krm h LYS 429 Cb 2.07 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 34.31 3krm h LYS 429 CO 0.15 0.03 -0.43 0.37 -0.57 0.00 0.00 179.45 178.99 3krm h GLN 430 N 0.04 -0.35 -0.93 3.15 4.15 -0.96 -1.89 115.11 118.31 3krm h GLN 430 Ca 0.08 0.02 0.17 0.00 0.77 0.00 0.00 58.65 59.69 3krm h GLN 430 Cb 0.10 0.08 -0.08 0.00 0.21 0.00 0.00 27.48 27.79 3krm h GLN 430 CO -0.14 -0.23 0.60 1.25 -1.93 0.00 0.00 178.83 178.37 3krm h LEU 431 N -0.36 0.64 -0.01 -2.39 5.85 -0.67 0.27 115.31 118.65 3krm h LEU 431 Ca 0.04 0.06 -0.26 0.00 0.84 0.00 0.00 57.88 58.56 3krm h LEU 431 Cb 0.49 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.46 3krm h LEU 431 CO -0.42 0.29 -1.11 0.77 -0.34 0.00 0.00 178.44 177.62 3krm h SER 432 N 0.66 0.52 0.47 1.25 4.64 -1.27 -0.88 113.55 118.95 3krm h SER 432 Ca 0.49 -0.49 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3krm h SER 432 Cb 0.87 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 3krm h SER 432 CO -0.25 1.33 -0.36 -0.09 -0.87 0.00 0.00 176.83 176.59 3krm h ARG 433 N 0.16 -0.79 0.00 4.77 2.43 -0.33 0.61 114.38 121.23 3krm h ARG 433 Ca -0.12 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3krm h ARG 433 Cb 1.79 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 31.52 3krm h ARG 433 CO 0.19 -0.53 0.00 0.34 -1.51 0.00 0.00 179.97 178.47 3krm n PHE 434 N -5.48 0.00 0.37 2.20 7.35 -0.06 -2.68 117.46 119.16 3krm n PHE 434 Ca -0.11 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.71 3krm n PHE 434 Cb 0.38 -0.26 0.54 0.00 0.35 0.00 0.00 39.48 40.48 3krm n PHE 434 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3krm h ALA 435 N -1.48 1.00 -5.78 3.13 0.00 -1.08 -3.46 119.26 111.58 3krm h ALA 435 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 3krm h ALA 435 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 17.79 17.93 3krm h ALA 435 CO 0.00 0.00 -0.84 0.43 0.00 0.00 0.00 179.25 178.84 3krm n SER 436 N -2.38 -6.18 -3.96 0.00 7.64 0.20 -4.36 113.62 104.59 3krm n SER 436 Ca 0.02 -0.79 -0.09 0.00 1.01 0.00 0.00 58.87 59.01 3krm n SER 436 Cb 0.23 -4.41 -0.10 0.00 -1.01 0.00 0.00 64.21 58.91 3krm n SER 436 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3krm s ALA 437 N -3.38 0.03 0.03 -0.43 0.00 -0.63 -4.83 121.76 112.55 3krm s ALA 437 Ca 0.43 -0.53 -0.30 0.00 0.00 0.00 0.00 51.96 51.55 3krm s ALA 437 Cb -0.10 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 3krm s ALA 437 CO 0.79 -0.20 1.21 -1.12 0.00 0.00 0.00 175.76 176.45 3krm s SER 438 N -1.62 7.05 -0.38 0.00 0.01 -0.55 -4.54 113.70 113.68 3krm s SER 438 Ca -0.13 1.98 0.01 0.00 1.31 0.00 0.00 55.95 59.12 3krm s SER 438 Cb -0.07 -2.57 0.14 0.00 0.21 0.00 0.00 66.02 63.73 3krm s SER 438 CO -0.01 -0.51 0.23 -0.63 0.41 0.00 0.00 173.24 172.72 3krm s ILE 439 N 1.41 0.44 -0.08 1.44 1.01 -1.26 -1.47 121.20 122.70 3krm s ILE 439 Ca 0.58 -1.98 -0.07 0.00 0.00 0.00 0.00 60.65 59.18 3krm s ILE 439 Cb -0.29 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 3krm s ILE 439 CO 0.27 -0.99 0.19 -0.54 0.00 0.00 0.00 174.94 173.88 3krm s LYS 440 N 0.82 3.51 -0.31 2.79 -0.14 -0.79 -4.95 119.74 120.67 3krm s LYS 440 Ca 0.19 -0.09 -0.10 0.00 -1.36 0.00 0.00 55.97 54.62 3krm s LYS 440 Cb -0.21 -3.17 -0.01 0.00 -1.68 0.00 0.00 37.83 32.76 3krm s LYS 440 CO -0.01 0.74 0.15 0.42 -0.76 0.00 0.00 175.35 175.90 3krm s ILE 441 N -1.10 4.63 0.55 2.17 1.01 -1.26 -0.85 121.20 126.34 3krm s ILE 441 Ca 0.19 -0.41 -0.20 0.00 0.00 0.00 0.00 60.65 60.23 3krm s ILE 441 Cb -0.13 -3.36 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 3krm s ILE 441 CO 0.08 0.07 1.18 0.00 0.00 0.00 0.00 174.94 176.27 3krm s ALA 442 N 1.62 2.70 0.63 9.38 0.00 -0.95 -5.02 121.76 130.11 3krm s ALA 442 Ca 0.05 0.94 -0.10 0.00 0.00 0.00 0.00 51.96 52.84 3krm s ALA 442 Cb -0.17 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 3krm s ALA 442 CO 0.06 -0.93 1.02 -1.25 0.00 0.00 0.00 175.76 174.67 3krm s PRO 443 N -3.18 3.38 0.21 0.00 0.04 -1.26 -4.52 135.00 129.67 3krm s PRO 443 Ca 0.73 0.60 -0.31 0.00 0.04 0.00 0.00 61.00 62.06 3krm s PRO 443 Cb -0.28 -2.09 -0.10 0.00 0.04 0.00 0.00 34.50 32.07 3krm s PRO 443 CO 0.32 -0.67 1.48 -2.14 0.04 0.00 0.00 177.00 176.03 3krm s PRO 444 N -5.19 4.25 0.37 0.56 0.02 -1.26 -4.88 135.00 128.88 3krm s PRO 444 Ca 0.55 2.31 0.08 0.00 0.02 0.00 0.00 61.00 63.96 3krm s PRO 444 Cb -0.11 -3.14 0.73 0.00 0.02 0.00 0.00 34.50 32.01 3krm s PRO 444 CO 0.52 -0.49 1.90 0.93 -0.33 0.00 0.00 177.00 179.53 3krm h GLU 445 N 5.83 0.29 -5.18 5.54 5.08 -1.95 -3.42 114.58 120.77 3krm h GLU 445 Ca -0.44 -0.07 -0.66 0.00 -1.00 0.00 0.00 59.36 57.19 3krm h GLU 445 Cb 1.21 -0.04 -0.34 0.00 0.50 0.00 0.00 28.75 30.09 3krm h GLU 445 CO 0.83 0.42 -0.87 0.95 -1.00 0.00 0.00 179.01 179.35 3krm s THR 446 N -4.74 1.94 0.17 1.13 -4.23 -1.26 -5.03 115.64 103.62 3krm s THR 446 Ca -0.06 -0.93 -0.22 0.00 -1.18 0.00 0.00 61.69 59.30 3krm s THR 446 Cb 0.15 -1.71 0.06 0.00 1.34 0.00 0.00 72.50 72.35 3krm s THR 446 CO 0.74 0.53 1.38 -2.65 -0.54 0.00 0.00 174.62 174.08 3krm n PRO 447 N 3.82 -0.31 -3.53 3.99 -0.02 -1.26 -1.87 135.00 135.81 3krm n PRO 447 Ca -0.20 1.36 -0.39 0.00 -2.02 0.00 0.00 63.50 62.25 3krm n PRO 447 Cb 0.52 -2.01 -0.04 0.00 -0.02 0.00 0.00 33.50 31.95 3krm n PRO 447 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3krm s ASP 448 N -5.39 6.44 0.08 2.55 1.01 -1.26 -4.94 116.67 115.16 3krm s ASP 448 Ca -0.11 -3.64 -0.10 0.00 0.71 0.00 0.00 52.55 49.41 3krm s ASP 448 Cb 0.14 -2.01 -0.06 0.00 1.01 0.00 0.00 42.92 41.99 3krm s ASP 448 CO 0.59 -0.23 0.40 -0.94 0.21 0.00 0.00 175.17 175.20 3krm s SER 449 N 0.41 6.63 -0.01 0.27 1.04 -0.78 -5.01 113.70 116.26 3krm s SER 449 Ca 0.28 0.78 -0.23 0.00 0.48 0.00 0.00 55.95 57.26 3krm s SER 449 Cb -0.09 -2.17 -0.19 0.00 0.10 0.00 0.00 66.02 63.67 3krm s SER 449 CO -0.11 0.16 1.23 0.07 0.98 0.00 0.00 173.24 175.58 3krm h LYS 450 N 3.65 0.19 -6.13 4.02 -0.00 -1.95 -3.45 116.57 112.90 3krm h LYS 450 Ca -0.49 -0.12 -0.51 0.00 -0.00 0.00 0.00 60.65 59.53 3krm h LYS 450 Cb 1.19 0.01 -0.05 0.00 -0.00 0.00 0.00 32.23 33.39 3krm h LYS 450 CO 0.67 0.70 -0.45 0.14 -0.00 0.00 0.00 179.45 180.51 3krm s VAL 451 N -3.97 2.98 0.14 0.07 -7.23 -1.26 -1.12 120.40 110.01 3krm s VAL 451 Ca -0.15 -1.47 0.09 0.00 -1.81 0.00 0.00 61.98 58.64 3krm s VAL 451 Cb 0.03 -3.05 -0.04 0.00 0.56 0.00 0.00 36.38 33.88 3krm s VAL 451 CO 0.72 -0.10 -0.21 -0.13 -0.31 0.00 0.00 175.10 175.08 3krm s ARG 452 N -4.00 1.26 -0.27 4.82 1.81 0.16 -4.68 118.95 118.05 3krm s ARG 452 Ca 0.43 -1.32 -0.10 0.00 -1.72 0.00 0.00 55.73 53.02 3krm s ARG 452 Cb -0.03 -1.49 -0.04 0.00 -0.45 0.00 0.00 34.95 32.94 3krm s ARG 452 CO 0.26 0.33 0.16 1.41 -0.68 0.00 0.00 175.30 176.77 3krm s MET 453 N -2.35 3.84 -0.15 3.54 -2.45 -1.26 -1.26 119.30 119.22 3krm s MET 453 Ca 0.13 -0.38 -0.17 0.00 -1.25 0.00 0.00 55.69 54.02 3krm s MET 453 Cb -0.08 -3.56 -0.04 0.00 1.25 0.00 0.00 34.83 32.39 3krm s MET 453 CO 0.06 -0.19 0.43 0.08 1.05 0.00 0.00 175.02 176.44 3krm s VAL 454 N 1.71 5.21 -0.21 10.11 1.01 0.12 -2.25 120.40 136.10 3krm s VAL 454 Ca 0.07 0.81 -0.06 0.00 0.00 0.00 0.00 61.98 62.80 3krm s VAL 454 Cb -0.16 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 3krm s VAL 454 CO 0.09 0.31 0.02 -0.63 0.00 0.00 0.00 175.10 174.89 3krm s ILE 455 N 0.85 4.13 -0.09 2.22 1.01 -0.03 -0.25 121.20 129.04 3krm s ILE 455 Ca 0.22 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.66 3krm s ILE 455 Cb -0.15 -2.88 0.01 0.00 0.01 0.00 0.00 42.46 39.45 3krm s ILE 455 CO 0.08 0.41 -0.19 -0.63 0.00 0.00 0.00 174.94 174.61 3krm s ILE 456 N 1.11 1.71 -0.07 2.92 1.01 0.01 -1.89 121.20 125.99 3krm s ILE 456 Ca 0.03 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.88 3krm s ILE 456 Cb -0.14 -1.50 0.02 0.00 0.01 0.00 0.00 42.46 40.84 3krm s ILE 456 CO 0.02 0.48 -0.08 -0.89 0.00 0.00 0.00 174.94 174.47 3krm s THR 457 N 0.49 0.92 0.00 2.92 2.01 -0.54 -1.06 115.64 120.38 3krm s THR 457 Ca -0.17 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.52 3krm s THR 457 Cb -0.17 -0.89 0.00 0.00 0.01 0.00 0.00 72.50 71.45 3krm s THR 457 CO 0.07 0.32 0.00 0.61 -0.69 0.00 0.00 174.62 174.92 3krm n GLY 458 N 4.21 0.62 3.81 4.40 0.00 -0.50 -1.48 105.19 116.25 3krm n GLY 458 Ca -0.20 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 3krm n GLY 458 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3krm s PRO 459 N -2.00 1.89 0.28 1.61 0.05 -1.26 0.11 135.00 135.68 3krm s PRO 459 Ca 0.00 0.52 0.01 0.00 0.05 0.00 0.00 61.00 61.58 3krm s PRO 459 Cb 0.00 -1.91 0.64 0.00 0.05 0.00 0.00 34.50 33.28 3krm s PRO 459 CO 0.00 -1.73 1.69 -1.35 0.05 0.00 0.00 177.00 175.66 3krm h PRO 460 N -1.16 0.34 -0.68 0.56 0.11 -1.97 0.25 132.00 129.44 3krm h PRO 460 Ca -0.48 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.73 3krm h PRO 460 Cb 1.29 -0.08 -0.09 0.00 0.11 0.00 0.00 31.00 32.23 3krm h PRO 460 CO 0.60 0.23 0.25 0.93 -0.21 0.00 0.00 178.00 179.80 3krm h GLU 461 N 0.35 0.39 -0.11 1.05 3.07 -1.97 -0.19 114.58 117.18 3krm h GLU 461 Ca 0.51 -0.02 -0.19 0.00 -0.50 0.00 0.00 59.36 59.16 3krm h GLU 461 Cb 0.94 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.77 3krm h GLU 461 CO -0.53 0.26 -0.73 0.00 -1.40 0.00 0.00 179.01 176.61 3krm h ALA 462 N 1.49 0.52 -0.43 3.43 0.00 -0.77 -2.66 119.26 120.85 3krm h ALA 462 Ca 0.36 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3krm h ALA 462 Cb 0.51 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3krm h ALA 462 CO -0.37 0.73 0.27 1.96 0.00 0.00 0.00 179.25 181.84 3krm h GLN 463 N 0.37 0.57 0.29 0.00 1.08 -0.65 -1.64 115.11 115.13 3krm h GLN 463 Ca -0.03 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 3krm h GLN 463 Cb 1.32 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 3krm h GLN 463 CO 0.13 0.40 -0.14 0.35 -0.95 0.00 0.00 178.83 178.63 3krm h PHE 464 N 0.57 -0.36 -0.07 2.96 3.57 -0.99 -0.36 116.94 122.26 3krm h PHE 464 Ca 0.16 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.66 3krm h PHE 464 Cb -0.03 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 3krm h PHE 464 CO -0.04 -0.20 -0.04 0.87 -2.23 0.00 0.00 178.31 176.68 3krm h LYS 465 N -0.43 -0.03 -0.46 1.11 1.57 -1.43 0.28 116.57 117.17 3krm h LYS 465 Ca -0.04 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 3krm h LYS 465 Cb 0.32 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3krm h LYS 465 CO 0.07 -0.02 0.07 0.00 -0.57 0.00 0.00 179.45 178.99 3krm h ALA 466 N 1.03 0.62 -0.47 3.86 0.00 -1.27 -0.43 119.26 122.60 3krm h ALA 466 Ca 0.04 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 3krm h ALA 466 Cb 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3krm h ALA 466 CO -0.09 0.35 -0.18 1.96 0.00 0.00 0.00 179.25 181.28 3krm h GLN 467 N 0.64 0.94 -0.37 0.00 4.20 -0.95 -1.92 115.11 117.65 3krm h GLN 467 Ca 0.14 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.46 3krm h GLN 467 Cb 0.39 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 3krm h GLN 467 CO 0.01 1.06 0.25 0.78 -0.67 0.00 0.00 178.83 180.25 3krm h GLY 468 N 0.79 0.53 1.64 3.46 0.00 -0.75 -1.05 103.07 107.69 3krm h GLY 468 Ca 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 3krm h GLY 468 CO 0.06 0.20 0.20 3.21 0.00 0.00 0.00 176.54 180.20 3krm h ARG 469 N 0.51 0.48 0.09 4.80 2.47 -0.96 0.56 114.38 122.33 3krm h ARG 469 Ca 0.14 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.81 3krm h ARG 469 Cb -0.05 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.17 3krm h ARG 469 CO -0.03 0.35 -0.05 0.82 0.56 0.00 0.00 179.97 181.62 3krm h ILE 470 N 0.49 1.11 -0.99 2.04 2.04 -0.63 0.11 117.51 121.67 3krm h ILE 470 Ca 0.13 -1.31 0.18 0.00 1.00 0.00 0.00 64.86 64.85 3krm h ILE 470 Cb 0.00 1.88 -0.10 0.00 -0.74 0.00 0.00 36.82 37.87 3krm h ILE 470 CO -0.02 0.29 0.62 1.88 0.00 0.00 0.00 178.15 180.92 3krm h TYR 471 N -0.79 1.03 -0.01 1.37 -1.99 -1.14 -2.12 116.97 113.32 3krm h TYR 471 Ca -0.01 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 3krm h TYR 471 Cb 0.58 -0.31 0.00 0.00 2.00 0.00 0.00 36.73 38.99 3krm h TYR 471 CO 0.12 0.27 -0.02 0.78 -0.00 0.00 0.00 178.16 179.31 3krm h GLY 472 N 0.78 0.02 0.50 3.88 0.00 -0.81 -2.76 103.07 104.68 3krm h GLY 472 Ca 0.55 -0.03 0.16 0.00 0.00 0.00 0.00 47.33 48.01 3krm h GLY 472 CO -0.33 0.03 0.57 1.70 0.00 0.00 0.00 176.54 178.50 3krm h LYS 473 N -0.58 0.57 -0.14 4.80 1.63 -0.74 -0.41 116.57 121.70 3krm h LYS 473 Ca -0.00 -0.03 -0.14 0.00 -0.85 0.00 0.00 60.65 59.63 3krm h LYS 473 Cb 0.62 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.12 3krm h LYS 473 CO 0.00 0.37 -0.50 -0.07 -3.45 0.00 0.00 179.45 175.81 3krm h LEU 474 N 0.58 0.41 0.70 5.20 3.38 -1.31 -0.90 115.31 123.36 3krm h LEU 474 Ca 0.44 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 3krm h LEU 474 Cb 0.84 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.48 3krm h LEU 474 CO -0.19 0.84 -0.34 0.50 0.09 0.00 0.00 178.44 179.34 3krm h LYS 475 N 0.30 -0.91 -0.96 1.13 1.63 -0.84 -2.42 116.57 114.50 3krm h LYS 475 Ca 0.01 0.06 0.13 0.00 -0.85 0.00 0.00 60.65 60.00 3krm h LYS 475 Cb 0.98 0.21 -0.14 0.00 -0.60 0.00 0.00 32.23 32.68 3krm h LYS 475 CO 0.08 -0.60 -0.46 0.93 -3.45 0.00 0.00 179.45 175.95 3krm h GLU 476 N -1.00 -0.02 -0.25 1.90 5.08 -1.06 0.41 114.58 119.63 3krm h GLU 476 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3krm h GLU 476 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3krm h GLU 476 CO 0.16 -0.01 0.00 0.39 -1.00 0.00 0.00 179.01 178.54 3krm n GLU 477 N -5.39 0.78 -3.85 2.33 -0.58 -0.35 -4.84 120.64 108.73 3krm n GLU 477 Ca 0.07 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.53 3krm n GLU 477 Cb 0.35 -1.13 0.03 0.00 -0.57 0.00 0.00 31.44 30.12 3krm n GLU 477 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3krm n ASN 478 N -0.30 -3.64 0.10 1.62 3.02 0.14 -4.84 115.26 111.36 3krm n ASN 478 Ca 0.00 -0.80 0.01 0.00 -0.03 0.00 0.00 54.58 53.77 3krm n ASN 478 Cb 0.06 -3.92 -0.02 0.00 -0.61 0.00 0.00 39.78 35.30 3krm n ASN 478 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 3krm h PHE 479 N -2.03 0.00 -3.41 3.10 -1.00 -1.62 -3.43 116.94 108.56 3krm h PHE 479 Ca -0.59 0.00 -0.66 0.00 2.81 0.00 0.00 57.97 59.53 3krm h PHE 479 Cb 1.37 0.00 -0.19 0.00 3.61 0.00 0.00 35.95 40.74 3krm h PHE 479 CO 0.54 0.55 -0.82 -0.06 -1.61 0.00 0.00 178.31 176.90 3krm s PHE 480 N -2.94 2.36 -4.52 -0.55 0.40 -1.25 -5.08 117.98 106.39 3krm s PHE 480 Ca 0.01 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 3krm s PHE 480 Cb 0.08 -1.20 0.00 0.00 0.51 0.00 0.00 43.02 42.41 3krm s PHE 480 CO 0.77 0.45 0.00 0.41 0.70 0.00 0.00 175.22 177.55 3krm n GLY 481 N 0.46 -2.35 2.44 4.36 0.00 -1.26 -4.81 105.19 104.03 3krm n GLY 481 Ca -0.14 -1.27 -0.26 0.00 0.00 0.00 0.00 46.02 44.35 3krm n GLY 481 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3krm n PRO 482 N -0.63 2.36 -0.14 1.61 -0.04 -1.26 -5.06 135.00 131.85 3krm n PRO 482 Ca 0.00 -2.29 0.00 0.00 -0.04 0.00 0.00 63.50 61.17 3krm n PRO 482 Cb 0.00 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 3krm n PRO 482 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3krm n GLU 484 N 0.83 0.00 -2.47 0.54 2.13 -1.26 -5.12 120.64 115.29 3krm n GLU 484 Ca 0.48 0.14 -0.41 0.00 0.66 0.00 0.00 57.16 58.02 3krm n GLU 484 Cb 0.56 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.23 3krm n GLU 484 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3krm s GLU 485 N -3.65 4.59 -0.05 5.31 0.41 -1.26 -4.94 118.70 119.12 3krm s GLU 485 Ca 0.00 1.79 -0.30 0.00 -0.41 0.00 0.00 54.97 56.05 3krm s GLU 485 Cb 0.00 -3.23 -0.05 0.00 -1.78 0.00 0.00 34.13 29.06 3krm s GLU 485 CO 0.00 0.10 1.59 0.08 -0.49 0.00 0.00 175.26 176.54 3krm s VAL 486 N -0.59 3.61 -0.11 2.63 1.01 -1.26 -5.00 120.40 120.68 3krm s VAL 486 Ca 0.48 0.81 0.00 0.00 0.00 0.00 0.00 61.98 63.27 3krm s VAL 486 Cb -0.31 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3krm s VAL 486 CO 0.38 -0.06 -0.12 -0.54 0.00 0.00 0.00 175.10 174.76 3krm s LYS 487 N 3.66 3.22 0.07 2.72 1.02 -1.26 -4.14 119.74 125.02 3krm s LYS 487 Ca 0.71 -0.66 0.05 0.00 0.02 0.00 0.00 55.97 56.09 3krm s LYS 487 Cb -0.33 -2.62 -0.03 0.00 -0.52 0.00 0.00 37.83 34.34 3krm s LYS 487 CO 0.28 0.32 -0.15 -0.51 -0.92 0.00 0.00 175.35 174.37 3krm s LEU 488 N 0.08 2.25 0.11 3.17 1.43 -0.68 -4.93 118.68 120.11 3krm s LEU 488 Ca -0.05 -0.59 -0.19 0.00 -1.03 0.00 0.00 54.13 52.28 3krm s LEU 488 Cb -0.14 -0.58 -0.07 0.00 0.03 0.00 0.00 46.19 45.42 3krm s LEU 488 CO 0.04 -0.03 0.60 -0.70 0.23 0.00 0.00 176.35 176.49 3krm s GLU 489 N -1.61 4.20 -0.03 1.70 2.12 -1.26 -3.03 118.70 120.79 3krm s GLU 489 Ca -0.00 0.75 -0.01 0.00 0.36 0.00 0.00 54.97 56.07 3krm s GLU 489 Cb -0.09 -3.14 0.03 0.00 0.26 0.00 0.00 34.13 31.19 3krm s GLU 489 CO 0.02 0.57 0.06 0.99 -0.54 0.00 0.00 175.26 176.36 3krm s THR 490 N -1.23 -0.04 -0.08 -1.70 2.01 -0.29 -1.02 115.64 113.29 3krm s THR 490 Ca 0.33 0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.51 3krm s THR 490 Cb -0.19 -0.11 -0.02 0.00 0.01 0.00 0.00 72.50 72.19 3krm s THR 490 CO 0.20 0.07 -0.11 -1.00 -0.69 0.00 0.00 174.62 173.09 3krm s HIS 491 N 0.87 2.81 -0.03 4.92 3.76 0.56 -0.78 115.29 127.40 3krm s HIS 491 Ca -0.07 -0.21 0.07 0.00 -0.15 0.00 0.00 55.06 54.70 3krm s HIS 491 Cb -0.10 -1.72 -0.02 0.00 1.11 0.00 0.00 32.58 31.86 3krm s HIS 491 CO -0.03 0.13 -0.24 0.96 -0.85 0.00 0.00 174.74 174.71 3krm s ILE 492 N -0.46 1.95 0.09 0.60 -4.36 -0.85 -1.06 121.20 117.11 3krm s ILE 492 Ca 0.06 -1.04 -0.23 0.00 -0.26 0.00 0.00 60.65 59.18 3krm s ILE 492 Cb -0.12 -1.63 -0.07 0.00 1.25 0.00 0.00 42.46 41.89 3krm s ILE 492 CO 0.02 0.55 0.70 -0.13 0.24 0.00 0.00 174.94 176.32 3krm s ARG 493 N -0.40 4.43 0.03 0.37 1.81 -1.26 -1.19 118.95 122.74 3krm s ARG 493 Ca 0.04 0.98 0.02 0.00 -1.72 0.00 0.00 55.73 55.05 3krm s ARG 493 Cb -0.11 -3.29 -0.02 0.00 -0.45 0.00 0.00 34.95 31.08 3krm s ARG 493 CO 0.01 0.49 -0.07 0.14 -0.68 0.00 0.00 175.30 175.19 3krm s VAL 494 N -0.74 0.46 -0.36 3.52 -7.23 0.16 -4.92 120.40 111.29 3krm s VAL 494 Ca 0.34 -0.84 -0.43 0.00 -1.81 0.00 0.00 61.98 59.25 3krm s VAL 494 Cb -0.21 -0.50 -0.19 0.00 0.56 0.00 0.00 36.38 36.04 3krm s VAL 494 CO 0.22 -0.26 1.39 -2.65 -0.31 0.00 0.00 175.10 173.49 3krm n PRO 495 N 1.87 0.00 0.26 4.82 -0.02 -1.26 -0.52 135.00 140.15 3krm n PRO 495 Ca -0.20 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.37 3krm n PRO 495 Cb 0.56 -1.41 0.68 0.00 -0.02 0.00 0.00 33.50 33.31 3krm n PRO 495 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3krm h ALA 496 N 4.26 1.65 -0.45 3.55 0.00 -1.14 0.12 119.26 127.24 3krm h ALA 496 Ca -0.43 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 3krm h ALA 496 Cb 1.30 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3krm h ALA 496 CO 0.85 0.10 0.01 0.66 0.00 0.00 0.00 179.25 180.87 3krm h SER 497 N 0.00 0.70 1.33 0.00 4.64 -1.87 -3.22 113.55 115.13 3krm h SER 497 Ca -0.00 -0.16 -0.02 0.00 -0.47 0.00 0.00 61.79 61.14 3krm h SER 497 Cb 0.17 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3krm h SER 497 CO 0.01 0.77 -0.68 0.00 -0.87 0.00 0.00 176.83 176.05 3krm h ALA 498 N 1.32 0.69 0.00 5.18 0.00 -1.12 -3.38 119.26 121.95 3krm h ALA 498 Ca 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3krm h ALA 498 Cb 0.41 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3krm h ALA 498 CO 0.02 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.40 3krm h ALA 499 N 1.90 1.00 0.00 0.00 0.00 -1.43 0.18 119.26 120.92 3krm h ALA 499 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 3krm h ALA 499 Cb 1.09 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3krm h ALA 499 CO 0.01 0.00 -1.02 0.78 0.00 0.00 0.00 179.25 179.02 3krm h GLY 500 N 0.29 0.00 1.88 0.00 0.00 -1.79 -3.02 103.07 100.42 3krm h GLY 500 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 3krm h GLY 500 CO 0.00 0.00 -0.50 3.21 0.00 0.00 0.00 176.54 179.25 3krm h ARG 501 N 0.00 0.13 -0.29 4.80 2.47 -1.23 0.15 114.38 120.41 3krm h ARG 501 Ca -0.05 -0.07 -0.15 0.00 -1.26 0.00 0.00 59.98 58.45 3krm h ARG 501 Cb 1.73 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 30.04 3krm h ARG 501 CO 0.11 0.61 -0.42 0.28 0.56 0.00 0.00 179.97 181.11 3krm h VAL 502 N 0.11 1.29 -0.08 2.04 2.07 -1.51 -3.18 116.25 116.99 3krm h VAL 502 Ca 0.00 -1.60 -0.13 0.00 0.82 0.00 0.00 66.70 65.80 3krm h VAL 502 Cb 0.92 1.51 0.01 0.00 -1.52 0.00 0.00 31.29 32.21 3krm h VAL 502 CO 0.07 0.52 -0.44 0.40 0.02 0.00 0.00 177.57 178.14 3krm h ILE 503 N 0.59 1.39 -1.30 4.57 2.04 -1.42 -2.65 117.51 120.74 3krm h ILE 503 Ca 0.04 -1.81 0.14 0.00 1.00 0.00 0.00 64.86 64.24 3krm h ILE 503 Cb 0.97 2.27 -0.06 0.00 -0.74 0.00 0.00 36.82 39.26 3krm h ILE 503 CO 0.09 0.53 -0.38 0.61 0.00 0.00 0.00 178.15 179.00 3krm n GLY 504 N 0.73 -2.39 3.62 5.37 0.00 0.03 -2.17 105.19 110.38 3krm n GLY 504 Ca -0.08 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 3krm n GLY 504 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3krm s LYS 505 N -2.73 3.53 -1.55 1.61 1.02 -1.26 -1.10 119.74 119.25 3krm s LYS 505 Ca 0.00 2.26 -0.05 0.00 0.02 0.00 0.00 55.97 58.20 3krm s LYS 505 Cb 0.00 -4.29 0.01 0.00 -0.52 0.00 0.00 37.83 33.03 3krm s LYS 505 CO 0.00 -1.65 0.65 0.41 -0.92 0.00 0.00 175.35 173.84 3krm n GLY 506 N 5.28 -0.53 3.47 -3.33 0.00 -1.26 -2.91 105.19 105.92 3krm n GLY 506 Ca 0.26 0.14 -0.24 0.00 0.00 0.00 0.00 46.02 46.18 3krm n GLY 506 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krm n GLY 507 N -1.56 -0.54 0.13 -0.02 0.00 -0.26 -4.89 105.19 98.05 3krm n GLY 507 Ca -0.10 0.23 0.02 0.00 0.00 0.00 0.00 46.02 46.16 3krm n GLY 507 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3krm h LYS 508 N -2.37 0.00 0.32 1.61 1.57 -1.38 -1.67 116.57 114.65 3krm h LYS 508 Ca -0.56 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.20 3krm h LYS 508 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.68 3krm h LYS 508 CO 0.57 0.52 -0.15 1.15 -0.57 0.00 0.00 179.45 180.97 3krm h THR 509 N 0.00 0.02 -0.20 -0.16 2.02 -1.70 -2.83 112.91 110.05 3krm h THR 509 Ca -0.01 -0.69 0.06 0.00 0.77 0.00 0.00 66.41 66.53 3krm h THR 509 Cb 1.42 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3krm h THR 509 CO 0.07 0.00 0.15 1.62 0.37 0.00 0.00 175.52 177.74 3krm h VAL 510 N -1.11 0.82 -0.27 3.16 3.04 -1.13 -1.03 116.25 119.73 3krm h VAL 510 Ca -0.04 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.63 3krm h VAL 510 Cb 0.33 0.89 -0.01 0.00 -2.01 0.00 0.00 31.29 30.49 3krm h VAL 510 CO 0.07 0.00 0.10 -1.13 -1.01 0.00 0.00 177.57 175.60 3krm h ASN 511 N 0.00 0.38 -0.39 3.17 -1.24 -1.34 -2.59 115.58 113.57 3krm h ASN 511 Ca 0.09 -0.18 -0.13 0.00 0.71 0.00 0.00 56.30 56.80 3krm h ASN 511 Cb 0.40 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.34 3krm h ASN 511 CO -0.00 0.46 -0.23 -0.08 -1.29 0.00 0.00 177.43 176.29 3krm h GLU 512 N 0.28 0.89 -0.39 6.67 4.81 -0.98 -1.88 114.58 123.98 3krm h GLU 512 Ca 0.09 -0.38 0.07 0.00 -0.13 0.00 0.00 59.36 59.01 3krm h GLU 512 Cb 0.20 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.49 3krm h GLU 512 CO -0.01 1.02 0.00 -0.07 -0.73 0.00 0.00 179.01 179.23 3krm h LEU 513 N 0.77 -0.16 -0.71 1.64 3.38 -1.11 0.19 115.31 119.31 3krm h LEU 513 Ca 0.10 0.09 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 3krm h LEU 513 Cb 0.78 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 3krm h LEU 513 CO 0.06 -0.04 0.05 1.56 0.09 0.00 0.00 178.44 180.16 3krm h GLN 514 N 0.10 1.04 0.00 1.13 4.20 -1.20 -1.09 115.11 119.29 3krm h GLN 514 Ca 0.19 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 3krm h GLN 514 Cb 0.27 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3krm h GLN 514 CO -0.32 0.99 -0.00 -0.91 -0.67 0.00 0.00 178.83 177.92 3krm h ASN 515 N 0.96 -0.00 -0.55 1.46 2.35 -0.50 0.14 115.58 119.44 3krm h ASN 515 Ca 0.18 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 3krm h ASN 515 Cb 0.49 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 3krm h ASN 515 CO 0.02 0.07 0.16 -0.07 -1.65 0.00 0.00 177.43 175.95 3krm h LEU 516 N -0.07 0.81 0.00 1.61 3.38 -0.46 -3.34 115.31 117.24 3krm h LEU 516 Ca -0.00 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 3krm h LEU 516 Cb 0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3krm h LEU 516 CO 0.00 0.82 -1.90 0.35 0.09 0.00 0.00 178.44 177.79 3krm n THR 517 N -4.43 0.24 -0.91 0.22 -2.24 -0.43 -4.98 114.28 101.75 3krm n THR 517 Ca 0.02 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3krm n THR 517 Cb 0.21 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 3krm n THR 517 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3krm n ALA 518 N -2.24 0.00 -1.78 6.98 0.00 0.48 -4.53 120.51 119.42 3krm n ALA 518 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.97 3krm n ALA 518 Cb 0.60 -0.40 -0.06 0.00 0.00 0.00 0.00 19.45 19.58 3krm n ALA 518 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3krm s ALA 519 N -2.42 3.27 0.16 0.00 0.00 -1.26 -4.90 121.76 116.62 3krm s ALA 519 Ca 0.00 0.55 -0.30 0.00 0.00 0.00 0.00 51.96 52.20 3krm s ALA 519 Cb 0.00 -3.18 -0.08 0.00 0.00 0.00 0.00 23.12 19.86 3krm s ALA 519 CO 0.00 0.20 1.30 -1.21 0.00 0.00 0.00 175.76 176.04 3krm s GLU 520 N -1.69 4.39 -0.07 0.00 2.02 0.03 -4.35 118.70 119.03 3krm s GLU 520 Ca 0.46 2.00 -0.00 0.00 0.02 0.00 0.00 54.97 57.45 3krm s GLU 520 Cb -0.22 -3.23 0.02 0.00 0.10 0.00 0.00 34.13 30.81 3krm s GLU 520 CO 0.27 -0.27 -0.04 0.08 0.02 0.00 0.00 175.26 175.32 3krm s VAL 521 N 0.40 0.61 -0.06 2.63 1.01 -1.26 -1.80 120.40 121.93 3krm s VAL 521 Ca 0.58 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.51 3krm s VAL 521 Cb -0.35 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.36 3krm s VAL 521 CO 0.35 0.28 -0.11 -0.69 0.00 0.00 0.00 175.10 174.93 3krm s VAL 522 N 1.54 1.03 -0.50 2.92 1.01 -0.79 -4.99 120.40 120.62 3krm s VAL 522 Ca -0.01 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.49 3krm s VAL 522 Cb -0.13 -0.95 0.13 0.00 0.00 0.00 0.00 36.38 35.43 3krm s VAL 522 CO -0.04 0.33 0.34 -0.69 0.00 0.00 0.00 175.10 175.04 3krm s VAL 523 N 0.65 3.83 -0.20 2.92 1.01 -1.26 -1.25 120.40 126.10 3krm s VAL 523 Ca -0.13 -2.20 -0.40 0.00 0.00 0.00 0.00 61.98 59.24 3krm s VAL 523 Cb -0.15 -3.54 -0.16 0.00 0.00 0.00 0.00 36.38 32.53 3krm s VAL 523 CO 0.03 -0.78 1.61 -2.65 0.00 0.00 0.00 175.10 173.30 3krm n PRO 524 N 4.40 1.01 -2.75 2.72 -0.02 -1.26 -4.87 135.00 134.22 3krm n PRO 524 Ca -0.01 0.37 -0.33 0.00 -2.02 0.00 0.00 63.50 61.51 3krm n PRO 524 Cb 0.41 -2.02 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 3krm n PRO 524 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3krm s ARG 525 N 2.61 4.15 -0.15 -0.52 1.81 -1.26 -4.44 118.95 121.15 3krm s ARG 525 Ca 0.95 1.19 -0.00 0.00 -1.72 0.00 0.00 55.73 56.14 3krm s ARG 525 Cb -1.09 -2.18 -0.01 0.00 -0.45 0.00 0.00 34.95 31.22 3krm s ARG 525 CO 0.62 -0.11 0.14 -3.47 -0.68 0.00 0.00 175.30 171.80 3krm n ASP 526 N -0.67 -2.91 -4.09 0.23 2.03 -1.26 -5.04 116.55 104.85 3krm n ASP 526 Ca 0.07 -0.06 -0.24 0.00 0.52 0.00 0.00 54.79 55.08 3krm n ASP 526 Cb 0.53 -1.55 -0.16 0.00 -0.72 0.00 0.00 41.12 39.23 3krm n ASP 526 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 3krm s GLN 527 N -3.11 1.54 -0.47 -0.67 0.74 -1.26 -5.12 119.66 111.31 3krm s GLN 527 Ca 0.04 -0.51 -0.26 0.00 0.05 0.00 0.00 55.36 54.68 3krm s GLN 527 Cb -0.00 -1.35 0.03 0.00 1.10 0.00 0.00 33.01 32.78 3krm s GLN 527 CO 0.13 0.19 0.95 0.95 -0.55 0.00 0.00 175.29 176.96 3krm s THR 528 N 0.12 4.44 -0.22 -0.34 -4.23 -1.26 -4.99 115.64 109.16 3krm s THR 528 Ca -0.04 0.78 -0.35 0.00 -1.18 0.00 0.00 61.69 60.90 3krm s THR 528 Cb -0.11 -4.46 -0.12 0.00 1.34 0.00 0.00 72.50 69.16 3krm s THR 528 CO 0.02 -0.87 2.00 -2.65 -0.54 0.00 0.00 174.62 172.58 3krm n PRO 529 N 7.25 1.64 -0.65 3.99 -0.02 -1.26 -4.89 135.00 141.06 3krm n PRO 529 Ca 0.07 0.55 -0.12 0.00 -2.02 0.00 0.00 63.50 61.97 3krm n PRO 529 Cb 0.49 -2.56 0.08 0.00 -0.02 0.00 0.00 33.50 31.48 3krm n PRO 529 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3krm n ASP 530 N 8.02 -2.60 -0.23 2.55 5.75 0.31 -4.32 116.55 126.04 3krm n ASP 530 Ca 0.30 -0.20 -0.06 0.00 -0.01 0.00 0.00 54.79 54.82 3krm n ASP 530 Cb 0.26 -0.64 -0.05 0.00 -1.03 0.00 0.00 41.12 39.66 3krm n ASP 530 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 3krm n GLU 531 N 0.07 -0.24 -0.19 0.11 0.00 -1.26 0.44 120.64 119.58 3krm n GLU 531 Ca 0.03 0.97 -0.02 0.00 0.00 0.00 0.00 57.16 58.14 3krm n GLU 531 Cb 0.24 -1.44 0.01 0.00 0.00 0.00 0.00 31.44 30.26 3krm n GLU 531 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3krm n ASN 532 N -4.39 3.50 -3.50 -1.84 3.02 -1.26 -4.78 115.26 106.01 3krm n ASN 532 Ca 0.01 -2.21 -0.23 0.00 -0.03 0.00 0.00 54.58 52.12 3krm n ASN 532 Cb 0.14 -0.63 0.08 0.00 -0.61 0.00 0.00 39.78 38.76 3krm n ASN 532 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3krm n ASP 533 N 0.51 -5.93 -4.44 6.41 2.03 0.17 -4.83 116.55 110.47 3krm n ASP 533 Ca 0.05 -0.53 -0.29 0.00 0.52 0.00 0.00 54.79 54.54 3krm n ASP 533 Cb 0.59 -4.92 -0.12 0.00 -0.72 0.00 0.00 41.12 35.95 3krm n ASP 533 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3krm s GLN 534 N -6.20 1.65 0.45 -0.67 -0.21 -1.24 -0.55 119.66 112.89 3krm s GLN 534 Ca 0.53 -1.23 0.06 0.00 0.02 0.00 0.00 55.36 54.73 3krm s GLN 534 Cb -0.23 -2.02 -0.03 0.00 1.00 0.00 0.00 33.01 31.73 3krm s GLN 534 CO 0.71 0.47 0.18 0.14 -2.12 0.00 0.00 175.29 174.67 3krm s VAL 535 N -1.07 1.96 0.00 1.09 -7.23 0.33 -0.53 120.40 114.95 3krm s VAL 535 Ca 0.16 -1.73 -0.00 0.00 -1.81 0.00 0.00 61.98 58.59 3krm s VAL 535 Cb -0.10 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 3krm s VAL 535 CO 0.07 0.00 0.08 0.27 -0.31 0.00 0.00 175.10 175.21 3krm s ILE 536 N -2.69 4.69 -0.17 -0.62 -4.36 -1.26 0.40 121.20 117.19 3krm s ILE 536 Ca 0.33 -0.45 -0.07 0.00 -0.26 0.00 0.00 60.65 60.21 3krm s ILE 536 Cb 0.03 -3.16 -0.04 0.00 1.25 0.00 0.00 42.46 40.54 3krm s ILE 536 CO 0.19 0.33 0.05 -0.69 0.24 0.00 0.00 174.94 175.05 3krm s VAL 537 N -1.21 4.65 0.03 8.37 1.01 -0.33 -4.34 120.40 128.58 3krm s VAL 537 Ca 0.23 -0.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.97 3krm s VAL 537 Cb -0.12 -3.08 -0.06 0.00 0.00 0.00 0.00 36.38 33.12 3krm s VAL 537 CO 0.15 0.48 0.46 -0.54 0.00 0.00 0.00 175.10 175.65 3krm s LYS 538 N 0.24 4.01 -0.09 2.72 1.02 -0.38 -2.00 119.74 125.27 3krm s LYS 538 Ca 0.03 0.52 -0.01 0.00 0.02 0.00 0.00 55.97 56.53 3krm s LYS 538 Cb -0.12 -3.22 0.03 0.00 -0.52 0.00 0.00 37.83 34.00 3krm s LYS 538 CO 0.01 0.67 -0.01 0.42 -0.92 0.00 0.00 175.35 175.52 3krm s ILE 539 N -1.10 0.49 -0.17 2.17 1.01 0.04 -1.88 121.20 121.76 3krm s ILE 539 Ca 0.26 -0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.91 3krm s ILE 539 Cb -0.18 -0.66 0.01 0.00 0.01 0.00 0.00 42.46 41.65 3krm s ILE 539 CO 0.15 0.23 -0.19 -0.63 0.00 0.00 0.00 174.94 174.50 3krm s ILE 540 N 1.92 2.19 0.21 2.92 1.09 -0.75 -1.13 121.20 127.66 3krm s ILE 540 Ca 0.04 -0.91 -0.21 0.00 -1.10 0.00 0.00 60.65 58.47 3krm s ILE 540 Cb -0.13 -1.91 0.07 0.00 -1.06 0.00 0.00 42.46 39.43 3krm s ILE 540 CO -0.06 0.53 0.99 -0.83 -0.10 0.00 0.00 174.94 175.47 3krm s GLY 541 N 1.13 0.12 0.83 6.18 0.00 -1.17 -0.79 107.32 113.63 3krm s GLY 541 Ca 0.01 -0.36 -0.12 0.00 0.00 0.00 0.00 44.72 44.25 3krm s GLY 541 CO -0.08 1.77 1.16 -2.38 0.00 0.00 0.00 173.10 173.57 3krm s HIS 542 N -2.30 2.84 0.07 1.90 -3.43 -1.26 -1.69 115.29 111.42 3krm s HIS 542 Ca 0.20 0.79 -0.25 0.00 -0.80 0.00 0.00 55.06 55.00 3krm s HIS 542 Cb -0.03 -3.45 -0.11 0.00 -1.43 0.00 0.00 32.58 27.56 3krm s HIS 542 CO 0.06 -1.92 1.40 0.35 -2.00 0.00 0.00 174.74 172.63 3krm h PHE 543 N -1.17 -1.10 -0.51 0.38 3.57 -1.98 0.56 116.94 116.68 3krm h PHE 543 Ca -0.47 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.13 3krm h PHE 543 Cb 1.33 0.46 -0.03 0.00 2.79 0.00 0.00 35.95 40.50 3krm h PHE 543 CO 0.31 -0.44 0.34 1.88 -2.23 0.00 0.00 178.31 178.17 3krm h TYR 544 N -0.58 0.41 -0.24 0.41 0.05 -1.97 -0.79 116.97 114.25 3krm h TYR 544 Ca -0.01 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 3krm h TYR 544 Cb 0.56 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.16 3krm h TYR 544 CO -0.38 0.21 0.02 0.00 -1.05 0.00 0.00 178.16 176.96 3krm h ALA 545 N 1.73 0.33 -0.22 3.88 0.00 -1.65 -1.98 119.26 121.35 3krm h ALA 545 Ca 0.23 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3krm h ALA 545 Cb 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3krm h ALA 545 CO -0.06 0.04 -0.17 1.03 0.00 0.00 0.00 179.25 180.09 3krm h SER 546 N 0.21 0.36 -0.15 0.00 0.87 -0.13 -2.19 113.55 112.52 3krm h SER 546 Ca 0.07 -0.09 -0.09 0.00 -1.23 0.00 0.00 61.79 60.45 3krm h SER 546 Cb 0.38 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 3krm h SER 546 CO 0.01 0.55 -0.25 1.56 -0.53 0.00 0.00 176.83 178.17 3krm h GLN 547 N 0.34 0.44 -0.47 2.24 1.08 -0.83 -2.25 115.11 115.65 3krm h GLN 547 Ca 0.06 -0.27 -0.04 0.00 -1.45 0.00 0.00 58.65 56.96 3krm h GLN 547 Cb 0.50 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 3krm h GLN 547 CO 0.03 0.86 0.14 1.98 -0.95 0.00 0.00 178.83 180.89 3krm h MET 548 N 0.06 0.74 -0.94 1.46 4.05 -1.29 -1.65 114.93 117.36 3krm h MET 548 Ca 0.01 -0.16 0.04 0.00 -0.28 0.00 0.00 59.70 59.31 3krm h MET 548 Cb 0.82 -0.10 -0.06 0.00 -0.80 0.00 0.00 31.60 31.46 3krm h MET 548 CO 0.06 0.71 0.61 0.00 0.23 0.00 0.00 176.91 178.51 3krm h ALA 549 N 1.00 1.26 -0.54 0.39 0.00 -1.38 -2.01 119.26 117.97 3krm h ALA 549 Ca 0.15 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3krm h ALA 549 Cb 0.28 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3krm h ALA 549 CO -0.00 0.45 -0.03 1.96 0.00 0.00 0.00 179.25 181.62 3krm h GLN 550 N 1.15 0.96 0.00 0.00 4.20 -0.84 -1.92 115.11 118.67 3krm h GLN 550 Ca 0.38 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 3krm h GLN 550 Cb 0.06 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.75 3krm h GLN 550 CO -0.14 0.97 -0.00 0.00 -0.67 0.00 0.00 178.83 178.99 3krm h ARG 551 N 0.87 -0.01 -0.32 1.46 2.47 -0.93 -0.48 114.38 117.45 3krm h ARG 551 Ca 0.15 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.94 3krm h ARG 551 Cb 0.56 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.80 3krm h ARG 551 CO 0.03 0.48 -0.40 0.87 0.56 0.00 0.00 179.97 181.52 3krm h LYS 552 N -0.50 -0.34 -0.47 0.04 1.79 -1.41 0.21 116.57 115.90 3krm h LYS 552 Ca -0.00 0.02 0.08 0.00 -2.18 0.00 0.00 60.65 58.57 3krm h LYS 552 Cb 0.49 0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 31.16 3krm h LYS 552 CO 0.00 -0.23 0.10 0.82 -1.08 0.00 0.00 179.45 179.07 3krm h ILE 553 N -0.35 0.76 -0.33 1.86 2.04 -1.27 0.16 117.51 120.38 3krm h ILE 553 Ca 0.13 -0.08 0.06 0.00 1.00 0.00 0.00 64.86 65.96 3krm h ILE 553 Cb 0.58 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 3krm h ILE 553 CO -0.51 0.04 0.23 0.03 0.00 0.00 0.00 178.15 177.94 3krm h ARG 554 N 0.24 0.19 0.44 2.37 2.47 -0.06 -1.61 114.38 118.42 3krm h ARG 554 Ca 0.23 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.92 3krm h ARG 554 Cb 0.29 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 3krm h ARG 554 CO -0.29 0.12 -0.21 -0.44 0.56 0.00 0.00 179.97 179.71 3krm h ASP 555 N 0.19 -0.50 -0.83 7.04 3.32 0.22 -2.51 116.42 123.34 3krm h ASP 555 Ca 0.15 0.02 0.23 0.00 0.02 0.00 0.00 57.03 57.45 3krm h ASP 555 Cb 0.34 0.13 -0.16 0.00 0.22 0.00 0.00 39.33 39.87 3krm h ASP 555 CO -0.02 -0.28 0.02 -0.38 -1.72 0.00 0.00 179.24 176.86 3krm n ILE 556 N -4.06 -0.35 -0.09 0.35 5.41 -0.28 -1.07 119.36 119.27 3krm n ILE 556 Ca -0.07 1.83 -0.10 0.00 1.00 0.00 0.00 62.75 65.41 3krm n ILE 556 Cb 0.23 -2.68 -0.03 0.00 -0.71 0.00 0.00 39.64 36.46 3krm n ILE 556 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3krm h LEU 557 N 0.00 0.40 -1.24 1.39 3.38 -1.22 -2.28 115.31 115.75 3krm h LEU 557 Ca 0.51 -0.17 0.16 0.00 0.09 0.00 0.00 57.88 58.47 3krm h LEU 557 Cb 1.06 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.62 3krm h LEU 557 CO -0.78 0.46 0.59 0.00 0.09 0.00 0.00 178.44 178.80 3krm h ALA 558 N 0.96 1.82 -0.23 1.53 0.00 -0.64 -2.63 119.26 120.07 3krm h ALA 558 Ca 0.10 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3krm h ALA 558 Cb 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3krm h ALA 558 CO -0.01 -0.10 -0.09 1.96 0.00 0.00 0.00 179.25 181.02 3krm h GLN 559 N 0.70 0.47 -0.53 0.00 4.20 -0.96 -2.93 115.11 116.05 3krm h GLN 559 Ca 0.48 -0.20 0.15 0.00 0.06 0.00 0.00 58.65 59.14 3krm h GLN 559 Cb 0.79 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 3krm h GLN 559 CO -0.24 0.73 0.38 0.28 -0.67 0.00 0.00 178.83 179.31 3krm h VAL 560 N 0.19 0.76 0.00 -0.54 2.07 -1.10 0.12 116.25 117.75 3krm h VAL 560 Ca 0.05 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.55 3krm h VAL 560 Cb 0.57 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3krm h VAL 560 CO 0.03 0.01 0.00 0.29 0.02 0.00 0.00 177.57 177.92 3krm n LYS 561 N -4.40 0.00 0.00 1.57 5.02 -1.11 -5.11 118.16 114.14 3krm n LYS 561 Ca 0.10 0.44 0.13 0.00 -2.02 0.00 0.00 58.31 56.96 3krm n LYS 561 Cb 0.57 -1.50 0.78 0.00 -0.02 0.00 0.00 35.03 34.86 3krm n LYS 561 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92