#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u00 s ASP 390 N 0.00 4.70 0.19 7.83 -0.00 -1.26 -4.92 116.67 123.20 1u00 s ASP 390 Ca 0.00 2.25 0.05 0.00 -0.00 0.00 0.00 52.55 54.85 1u00 s ASP 390 Cb 0.00 -2.58 -0.05 0.00 -0.00 0.00 0.00 42.92 40.29 1u00 s ASP 390 CO 0.00 -1.92 -0.07 0.68 -0.00 0.00 0.00 175.17 173.86 1u00 s VAL 391 N -2.00 1.20 -0.03 -1.27 -7.23 -1.26 -1.32 120.40 108.48 1u00 s VAL 391 Ca 0.73 -2.07 -0.30 0.00 -1.81 0.00 0.00 61.98 58.53 1u00 s VAL 391 Cb -0.27 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.58 1u00 s VAL 391 CO 0.41 -0.57 1.13 -0.63 -0.31 0.00 0.00 175.10 175.13 1u00 s ILE 392 N -3.31 4.39 0.06 -0.62 1.01 -0.18 -4.88 121.20 117.67 1u00 s ILE 392 Ca 0.22 1.71 0.15 0.00 0.00 0.00 0.00 60.65 62.73 1u00 s ILE 392 Cb 0.03 -4.10 0.05 0.00 0.01 0.00 0.00 42.46 38.45 1u00 s ILE 392 CO 0.04 0.05 1.56 1.55 0.00 0.00 0.00 174.94 178.14 1u00 h PRO 393 N 7.15 0.00 -4.33 2.79 0.13 -1.94 0.20 132.00 136.00 1u00 h PRO 393 Ca -0.36 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.60 1u00 h PRO 393 Cb 1.18 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.15 1u00 h PRO 393 CO 0.84 0.53 -0.69 -0.51 -0.23 0.00 0.00 178.00 177.94 1u00 s LEU 394 N -6.85 2.44 0.51 1.56 1.43 -1.26 -4.61 118.68 111.90 1u00 s LEU 394 Ca 0.01 -0.88 -0.21 0.00 -1.03 0.00 0.00 54.13 52.02 1u00 s LEU 394 Cb 0.10 0.09 -0.06 0.00 0.03 0.00 0.00 46.19 46.34 1u00 s LEU 394 CO 0.73 -0.49 1.20 -0.44 0.23 0.00 0.00 176.35 177.59 1u00 s SER 395 N -2.60 5.77 -0.09 2.29 0.01 -1.25 -4.38 113.70 113.45 1u00 s SER 395 Ca 0.03 2.38 0.01 0.00 1.31 0.00 0.00 55.95 59.68 1u00 s SER 395 Cb 0.03 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 1u00 s SER 395 CO -0.06 -1.20 -0.12 -0.76 0.41 0.00 0.00 173.24 171.51 1u00 s LEU 396 N -3.42 2.83 0.00 2.44 1.43 -0.10 -0.98 118.68 120.88 1u00 s LEU 396 Ca 0.69 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.58 1u00 s LEU 396 Cb -0.30 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.31 1u00 s LEU 396 CO 0.35 0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.81 1u00 n GLY 397 N 2.82 2.59 3.08 -3.19 0.00 0.04 -0.25 105.19 110.28 1u00 n GLY 397 Ca -0.18 -1.06 -0.20 0.00 0.00 0.00 0.00 46.02 44.59 1u00 n GLY 397 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1u00 s LEU 398 N 0.00 2.08 0.22 0.99 2.96 -0.33 -0.68 118.68 123.92 1u00 s LEU 398 Ca 0.00 -0.30 -0.30 0.00 -0.22 0.00 0.00 54.13 53.31 1u00 s LEU 398 Cb 0.00 -0.55 -0.10 0.00 0.50 0.00 0.00 46.19 46.04 1u00 s LEU 398 CO 0.00 0.08 1.48 -0.70 -1.32 0.00 0.00 176.35 175.89 1u00 s GLU 399 N -0.60 4.25 0.37 1.98 2.12 -0.05 -1.08 118.70 125.69 1u00 s GLU 399 Ca 0.03 2.31 0.09 0.00 0.36 0.00 0.00 54.97 57.76 1u00 s GLU 399 Cb -0.06 -3.13 -0.07 0.00 0.26 0.00 0.00 34.13 31.14 1u00 s GLU 399 CO 0.00 -0.48 -0.03 0.95 -0.54 0.00 0.00 175.26 175.16 1u00 s THR 400 N 0.37 2.23 0.14 -1.70 -4.23 0.86 -4.73 115.64 108.59 1u00 s THR 400 Ca 0.63 -2.08 -0.34 0.00 -1.18 0.00 0.00 61.69 58.72 1u00 s THR 400 Cb -0.42 -2.79 -0.17 0.00 1.34 0.00 0.00 72.50 70.46 1u00 s THR 400 CO 0.39 -0.13 1.06 0.23 -0.54 0.00 0.00 174.62 175.63 1u00 n MET 401 N -0.89 0.77 0.00 3.99 0.00 -1.26 -2.59 117.12 117.13 1u00 n MET 401 Ca -0.05 0.27 0.00 0.00 0.00 0.00 0.00 57.70 57.93 1u00 n MET 401 Cb 0.64 -1.71 0.00 0.00 0.00 0.00 0.00 33.22 32.15 1u00 n MET 401 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1u00 n GLY 402 N 1.93 1.01 2.24 3.03 0.00 -1.26 -4.26 105.19 107.88 1u00 n GLY 402 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1u00 n GLY 402 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u00 n GLY 403 N -1.98 0.07 3.74 -0.02 0.00 -1.12 -4.87 105.19 101.01 1u00 n GLY 403 Ca 0.00 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 1u00 n GLY 403 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u00 s LEU 404 N -2.95 3.52 -0.19 0.99 1.43 -1.07 -1.10 118.68 119.32 1u00 s LEU 404 Ca 0.07 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1u00 s LEU 404 Cb -0.03 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.13 1u00 s LEU 404 CO 0.09 -0.00 -0.13 -0.69 0.23 0.00 0.00 176.35 175.85 1u00 s VAL 405 N -2.15 2.74 -0.26 -1.59 1.01 -0.26 -0.10 120.40 119.80 1u00 s VAL 405 Ca 0.32 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 1u00 s VAL 405 Cb -0.08 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1u00 s VAL 405 CO 0.22 0.49 0.29 -0.70 0.00 0.00 0.00 175.10 175.40 1u00 s GLU 406 N 1.22 4.03 0.03 2.72 2.56 -0.24 -4.86 118.70 124.15 1u00 s GLU 406 Ca 0.02 -0.09 -0.30 0.00 0.00 0.00 0.00 54.97 54.60 1u00 s GLU 406 Cb -0.14 -3.62 -0.04 0.00 2.00 0.00 0.00 34.13 32.33 1u00 s GLU 406 CO -0.06 -0.17 1.05 0.15 -0.56 0.00 0.00 175.26 175.68 1u00 s LYS 407 N 1.73 4.53 -0.16 4.30 1.02 -1.26 -1.18 119.74 128.71 1u00 s LYS 407 Ca 0.12 1.53 -0.06 0.00 0.02 0.00 0.00 55.97 57.58 1u00 s LYS 407 Cb -0.15 -3.42 -0.08 0.00 -0.52 0.00 0.00 37.83 33.66 1u00 s LYS 407 CO 0.09 -0.10 -0.20 0.28 -0.92 0.00 0.00 175.35 174.51 1u00 n VAL 408 N 3.82 0.91 -4.01 3.17 0.31 0.65 -4.92 118.33 118.25 1u00 n VAL 408 Ca 0.07 -0.26 -0.34 0.00 -0.01 0.00 0.00 64.34 63.80 1u00 n VAL 408 Cb 0.49 -1.57 -0.15 0.00 -0.91 0.00 0.00 33.84 31.70 1u00 n VAL 408 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1u00 s ILE 409 N -2.31 2.58 0.44 2.52 1.01 -0.22 -4.79 121.20 120.43 1u00 s ILE 409 Ca -0.23 -1.09 -0.24 0.00 0.00 0.00 0.00 60.65 59.10 1u00 s ILE 409 Cb 0.08 -2.29 -0.08 0.00 0.01 0.00 0.00 42.46 40.19 1u00 s ILE 409 CO 0.31 0.25 1.20 -2.84 0.00 0.00 0.00 174.94 173.86 1u00 s PRO 410 N 1.28 3.85 0.21 2.79 0.02 -1.26 -0.93 135.00 140.97 1u00 s PRO 410 Ca 0.00 1.88 -0.28 0.00 0.02 0.00 0.00 61.00 62.62 1u00 s PRO 410 Cb -0.16 -2.54 -0.16 0.00 0.02 0.00 0.00 34.50 31.66 1u00 s PRO 410 CO -0.07 -0.51 0.65 -2.13 -0.33 0.00 0.00 177.00 174.62 1u00 n ARG 411 N -0.24 0.32 -1.07 5.54 0.63 -1.26 -2.43 116.66 118.14 1u00 n ARG 411 Ca 0.06 0.11 -0.03 0.00 -0.92 0.00 0.00 57.85 57.08 1u00 n ARG 411 Cb 0.47 -1.22 -0.01 0.00 0.45 0.00 0.00 32.46 32.15 1u00 n ARG 411 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1u00 n ASN 412 N 1.81 -3.74 -4.72 6.15 3.02 0.70 -4.94 115.26 113.55 1u00 n ASN 412 Ca 0.16 0.06 -0.41 0.00 -0.03 0.00 0.00 54.58 54.36 1u00 n ASN 412 Cb 0.26 -1.46 -0.04 0.00 -0.61 0.00 0.00 39.78 37.93 1u00 n ASN 412 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1u00 s THR 413 N -1.95 4.61 0.37 3.41 2.01 -1.02 -4.73 115.64 118.34 1u00 s THR 413 Ca 0.00 2.06 -0.28 0.00 0.31 0.00 0.00 61.69 63.79 1u00 s THR 413 Cb 0.00 -4.32 -0.10 0.00 0.01 0.00 0.00 72.50 68.09 1u00 s THR 413 CO 0.00 0.27 1.38 -0.89 -0.69 0.00 0.00 174.62 174.68 1u00 s THR 414 N 0.31 2.41 0.10 -0.82 2.01 -1.26 -1.01 115.64 117.37 1u00 s THR 414 Ca 0.49 0.40 0.04 0.00 0.31 0.00 0.00 61.69 62.93 1u00 s THR 414 Cb -0.23 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1u00 s THR 414 CO 0.29 0.09 0.06 0.27 -0.69 0.00 0.00 174.62 174.64 1u00 s ILE 415 N -1.16 4.36 0.44 1.82 -4.36 -0.43 -4.21 121.20 117.65 1u00 s ILE 415 Ca 0.53 -0.89 -0.21 0.00 -0.26 0.00 0.00 60.65 59.82 1u00 s ILE 415 Cb -0.42 -3.12 -0.10 0.00 1.25 0.00 0.00 42.46 40.08 1u00 s ILE 415 CO 0.56 0.09 0.99 -2.16 0.24 0.00 0.00 174.94 174.65 1u00 s PRO 416 N -2.48 4.10 0.06 0.37 0.04 -1.26 -4.65 135.00 131.19 1u00 s PRO 416 Ca 0.28 1.25 -0.16 0.00 0.04 0.00 0.00 61.00 62.42 1u00 s PRO 416 Cb -0.12 -2.22 0.03 0.00 0.04 0.00 0.00 34.50 32.23 1u00 s PRO 416 CO 0.21 -0.16 0.36 0.54 0.04 0.00 0.00 177.00 177.99 1u00 s VAL 417 N -2.03 0.07 -0.03 -0.36 0.11 -0.54 -4.99 120.40 112.63 1u00 s VAL 417 Ca 0.63 -0.61 -0.04 0.00 -2.93 0.00 0.00 61.98 59.03 1u00 s VAL 417 Cb -0.13 -1.02 0.01 0.00 -1.53 0.00 0.00 36.38 33.71 1u00 s VAL 417 CO 0.17 -0.33 0.10 0.00 -3.33 0.00 0.00 175.10 171.71 1u00 s ALA 418 N -2.86 -0.24 0.01 1.54 0.00 -1.26 -0.75 121.76 118.20 1u00 s ALA 418 Ca -0.03 0.20 -0.06 0.00 0.00 0.00 0.00 51.96 52.07 1u00 s ALA 418 Cb 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 1u00 s ALA 418 CO -0.05 -0.07 0.10 1.03 0.00 0.00 0.00 175.76 176.77 1u00 s ARG 419 N -0.17 0.46 0.18 0.00 1.81 -0.64 -5.01 118.95 115.57 1u00 s ARG 419 Ca -0.02 -0.46 0.07 0.00 -1.72 0.00 0.00 55.73 53.60 1u00 s ARG 419 Cb -0.02 0.18 -0.04 0.00 -0.45 0.00 0.00 34.95 34.62 1u00 s ARG 419 CO 0.00 -0.10 -0.14 0.00 -0.68 0.00 0.00 175.30 174.37 1u00 s ALA 420 N -1.46 1.86 0.04 2.13 0.00 -1.26 -0.55 121.76 122.53 1u00 s ALA 420 Ca -0.15 -1.56 -0.04 0.00 0.00 0.00 0.00 51.96 50.22 1u00 s ALA 420 Cb -0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 1u00 s ALA 420 CO 0.01 0.07 0.06 -1.14 0.00 0.00 0.00 175.76 174.76 1u00 s GLN 421 N -3.39 0.58 0.06 0.00 2.00 -0.44 -4.99 119.66 113.49 1u00 s GLN 421 Ca 0.19 -0.87 0.06 0.00 -2.00 0.00 0.00 55.36 52.73 1u00 s GLN 421 Cb -0.02 0.22 -0.04 0.00 0.80 0.00 0.00 33.01 33.98 1u00 s GLN 421 CO 0.05 -0.14 -0.10 -0.51 -0.50 0.00 0.00 175.29 174.10 1u00 s ASP 422 N -2.32 4.40 0.25 6.67 1.11 -1.26 -1.05 116.67 124.48 1u00 s ASP 422 Ca -0.02 -0.31 -0.07 0.00 0.18 0.00 0.00 52.55 52.33 1u00 s ASP 422 Cb 0.01 -0.89 -0.01 0.00 1.07 0.00 0.00 42.92 43.09 1u00 s ASP 422 CO -0.06 0.22 0.37 -0.36 1.18 0.00 0.00 175.17 176.52 1u00 s PHE 423 N -1.11 0.76 0.23 4.23 0.08 -0.09 -5.00 117.98 117.09 1u00 s PHE 423 Ca 0.19 -1.05 0.01 0.00 0.12 0.00 0.00 56.93 56.20 1u00 s PHE 423 Cb -0.11 -0.10 -0.00 0.00 -0.57 0.00 0.00 43.02 42.24 1u00 s PHE 423 CO 0.11 -0.92 0.29 -2.37 -0.10 0.00 0.00 175.22 172.24 1u00 n THR 424 N -0.39 0.00 -2.79 0.64 5.66 -1.26 -1.15 114.28 114.98 1u00 n THR 424 Ca 0.00 -1.32 -0.25 0.00 -3.05 0.00 0.00 64.05 59.43 1u00 n THR 424 Cb 0.63 0.76 0.01 0.00 -1.55 0.00 0.00 70.33 70.18 1u00 n THR 424 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1u00 s THR 425 N -2.75 4.30 -0.08 1.09 -4.23 -1.26 -4.95 115.64 107.76 1u00 s THR 425 Ca 0.22 -0.18 0.14 0.00 -1.18 0.00 0.00 61.69 60.69 1u00 s THR 425 Cb -0.00 -3.63 -0.20 0.00 1.34 0.00 0.00 72.50 70.01 1u00 s THR 425 CO 0.15 -0.54 0.19 0.33 -0.54 0.00 0.00 174.62 174.21 1u00 n PHE 426 N -2.22 0.00 -4.15 3.99 7.35 -1.26 -2.36 117.46 118.81 1u00 n PHE 426 Ca 0.01 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.53 1u00 n PHE 426 Cb 0.57 -0.53 -0.12 0.00 0.35 0.00 0.00 39.48 39.75 1u00 n PHE 426 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1u00 s LYS 427 N -2.69 0.77 0.23 -4.13 -0.14 -1.26 -4.76 119.74 107.77 1u00 s LYS 427 Ca -0.06 -0.94 -0.31 0.00 -1.36 0.00 0.00 55.97 53.29 1u00 s LYS 427 Cb 0.07 -0.71 -0.14 0.00 -1.68 0.00 0.00 37.83 35.37 1u00 s LYS 427 CO 0.60 0.15 1.33 -0.25 -0.76 0.00 0.00 175.35 176.43 1u00 n ASP 428 N 1.23 2.40 0.00 2.83 8.00 -1.26 -1.88 116.55 127.87 1u00 n ASP 428 Ca -0.21 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.44 1u00 n ASP 428 Cb 0.55 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 1u00 n ASP 428 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u00 n GLY 429 N 2.02 0.35 3.67 0.44 0.00 0.11 -4.84 105.19 106.93 1u00 n GLY 429 Ca 0.12 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.65 1u00 n GLY 429 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1u00 n GLN 430 N -1.41 1.95 0.00 1.61 7.27 -0.79 -4.70 117.38 121.32 1u00 n GLN 430 Ca 0.00 0.71 0.05 0.00 0.07 0.00 0.00 57.00 57.83 1u00 n GLN 430 Cb 0.15 -2.49 -0.01 0.00 2.41 0.00 0.00 30.24 30.31 1u00 n GLN 430 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1u00 n THR 431 N 4.27 0.00 -4.14 1.69 -2.24 -1.26 -4.62 114.28 107.99 1u00 n THR 431 Ca 0.21 -0.39 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 1u00 n THR 431 Cb 0.26 1.11 -0.11 0.00 -2.10 0.00 0.00 70.33 69.50 1u00 n THR 431 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u00 s ALA 432 N -1.41 0.90 -0.02 6.98 0.00 -1.26 -1.40 121.76 125.56 1u00 s ALA 432 Ca 0.08 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 50.92 1u00 s ALA 432 Cb 0.08 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.28 1u00 s ALA 432 CO 0.27 -0.09 0.05 1.41 0.00 0.00 0.00 175.76 177.40 1u00 s MET 433 N -2.71 0.06 -0.23 0.00 1.75 0.04 -4.99 119.30 113.23 1u00 s MET 433 Ca 0.02 0.08 -0.23 0.00 -1.25 0.00 0.00 55.69 54.32 1u00 s MET 433 Cb -0.03 0.02 -0.01 0.00 2.84 0.00 0.00 34.83 37.65 1u00 s MET 433 CO -0.01 -0.02 0.74 0.45 -0.65 0.00 0.00 175.02 175.53 1u00 s SER 434 N 0.09 6.75 -0.43 1.11 0.15 -1.26 -0.97 113.70 119.13 1u00 s SER 434 Ca -0.00 0.93 -0.11 0.00 0.70 0.00 0.00 55.95 57.46 1u00 s SER 434 Cb -0.01 -2.40 0.07 0.00 -1.71 0.00 0.00 66.02 61.97 1u00 s SER 434 CO -0.00 -0.42 0.30 -0.63 1.20 0.00 0.00 173.24 173.68 1u00 s ILE 435 N 2.52 4.60 -0.32 6.45 -1.09 0.37 -4.96 121.20 128.78 1u00 s ILE 435 Ca 0.32 -1.24 0.02 0.00 -2.23 0.00 0.00 60.65 57.52 1u00 s ILE 435 Cb -0.16 -3.77 0.08 0.00 -1.58 0.00 0.00 42.46 37.04 1u00 s ILE 435 CO 0.09 -0.51 0.01 -2.28 -1.23 0.00 0.00 174.94 171.02 1u00 s HIS 436 N 1.51 3.50 -0.15 3.97 2.46 -1.26 -1.41 115.29 123.91 1u00 s HIS 436 Ca 0.03 -2.53 -0.27 0.00 0.47 0.00 0.00 55.06 52.77 1u00 s HIS 436 Cb -0.23 -2.51 -0.01 0.00 -0.13 0.00 0.00 32.58 29.70 1u00 s HIS 436 CO 0.04 -0.91 0.88 0.08 -2.47 0.00 0.00 174.74 172.37 1u00 s VAL 437 N 1.05 4.85 0.23 0.89 1.01 0.27 -0.87 120.40 127.84 1u00 s VAL 437 Ca 0.02 1.76 0.04 0.00 0.00 0.00 0.00 61.98 63.80 1u00 s VAL 437 Cb -0.20 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 1u00 s VAL 437 CO -0.05 0.02 -0.03 -0.04 0.00 0.00 0.00 175.10 175.00 1u00 s MET 438 N 2.08 1.36 -0.04 2.72 -1.94 0.14 -0.25 119.30 123.36 1u00 s MET 438 Ca 0.41 -1.67 0.02 0.00 -1.71 0.00 0.00 55.69 52.74 1u00 s MET 438 Cb -0.17 -0.75 0.01 0.00 2.01 0.00 0.00 34.83 35.93 1u00 s MET 438 CO 0.14 -0.04 -0.07 -1.14 -0.01 0.00 0.00 175.02 173.89 1u00 s GLN 439 N -3.81 1.06 0.00 2.03 0.74 -0.28 -0.78 119.66 118.61 1u00 s GLN 439 Ca 0.27 -0.23 0.00 0.00 0.05 0.00 0.00 55.36 55.45 1u00 s GLN 439 Cb 0.05 -0.97 0.00 0.00 1.10 0.00 0.00 33.01 33.18 1u00 s GLN 439 CO 0.08 -0.00 0.00 0.41 -0.55 0.00 0.00 175.29 175.23 1u00 n GLY 440 N 3.77 1.10 0.00 2.59 0.00 -0.15 -0.01 105.19 112.49 1u00 n GLY 440 Ca -0.23 -1.76 0.06 0.00 0.00 0.00 0.00 46.02 44.09 1u00 n GLY 440 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u00 n GLU 441 N -1.77 0.81 -2.03 1.61 -0.58 -1.26 -3.88 120.64 113.54 1u00 n GLU 441 Ca 0.00 -0.09 -0.28 0.00 -0.42 0.00 0.00 57.16 56.37 1u00 n GLU 441 Cb 0.00 -1.25 0.11 0.00 -0.57 0.00 0.00 31.44 29.73 1u00 n GLU 441 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1u00 s ARG 442 N -2.73 1.62 -0.05 3.49 0.52 -1.26 -5.00 118.95 115.54 1u00 s ARG 442 Ca -0.03 -0.22 0.16 0.00 -0.52 0.00 0.00 55.73 55.12 1u00 s ARG 442 Cb 0.08 -2.00 -0.21 0.00 0.52 0.00 0.00 34.95 33.34 1u00 s ARG 442 CO 0.51 -1.74 0.55 0.39 0.02 0.00 0.00 175.30 175.03 1u00 n GLU 443 N -3.32 0.65 -3.82 3.54 -0.58 -1.26 -4.76 120.64 111.09 1u00 n GLU 443 Ca 0.11 0.15 -0.34 0.00 -0.42 0.00 0.00 57.16 56.66 1u00 n GLU 443 Cb 0.60 -1.71 -0.05 0.00 -0.57 0.00 0.00 31.44 29.72 1u00 n GLU 443 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1u00 s LEU 444 N -5.70 4.36 0.28 -4.62 1.43 -1.26 -1.10 118.68 112.07 1u00 s LEU 444 Ca -0.06 0.46 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 1u00 s LEU 444 Cb 0.08 -2.72 0.59 0.00 0.03 0.00 0.00 46.19 44.17 1u00 s LEU 444 CO 0.83 0.24 1.80 0.58 0.23 0.00 0.00 176.35 180.02 1u00 h VAL 445 N 2.81 0.81 0.00 -1.59 2.07 -1.39 0.00 116.25 118.96 1u00 h VAL 445 Ca -0.49 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1u00 h VAL 445 Cb 1.19 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1u00 h VAL 445 CO 0.68 0.15 0.00 0.06 0.02 0.00 0.00 177.57 178.48 1u00 h GLN 446 N 0.82 0.00 -0.54 1.57 3.07 -1.95 -2.08 115.11 116.00 1u00 h GLN 446 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.25 1u00 h GLN 446 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.20 1u00 h GLN 446 CO -0.32 0.00 0.00 -0.25 0.09 0.00 0.00 178.83 178.35 1u00 n ASP 447 N -2.85 3.50 -4.65 0.06 8.00 -0.02 -4.95 116.55 115.64 1u00 n ASP 447 Ca 0.01 -1.98 -0.25 0.00 0.71 0.00 0.00 54.79 53.27 1u00 n ASP 447 Cb 0.26 -0.35 -0.09 0.00 -0.02 0.00 0.00 41.12 40.91 1u00 n ASP 447 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u00 s ARG 449 N -3.76 4.23 -0.16 0.00 3.52 0.99 -4.91 118.95 118.85 1u00 s ARG 449 Ca 0.36 0.53 -0.29 0.00 -0.13 0.00 0.00 55.73 56.20 1u00 s ARG 449 Cb 0.03 -3.55 -0.02 0.00 -1.56 0.00 0.00 34.95 29.85 1u00 s ARG 449 CO 0.20 -0.15 1.35 0.45 -0.81 0.00 0.00 175.30 176.33 1u00 s SER 450 N 1.11 6.84 -0.21 -2.12 0.15 -1.26 -1.13 113.70 117.08 1u00 s SER 450 Ca 0.27 1.72 -0.12 0.00 0.70 0.00 0.00 55.95 58.52 1u00 s SER 450 Cb -0.16 -2.54 -0.19 0.00 -1.71 0.00 0.00 66.02 61.42 1u00 s SER 450 CO 0.10 -0.85 0.06 0.18 1.20 0.00 0.00 173.24 173.94 1u00 n LEU 451 N 6.89 2.29 -3.58 3.45 4.77 0.65 -4.97 117.00 126.50 1u00 n LEU 451 Ca 0.15 0.25 -0.07 0.00 -0.03 0.00 0.00 56.01 56.31 1u00 n LEU 451 Cb 0.45 -0.97 -0.02 0.00 -2.33 0.00 0.00 43.42 40.55 1u00 n LEU 451 CO 0.58 0.62 0.71 0.00 -1.33 0.00 0.00 177.39 177.96 1u00 s ALA 452 N -2.48 -1.78 -0.03 -1.18 0.00 -1.09 -5.02 121.76 110.19 1u00 s ALA 452 Ca -0.30 0.74 -0.04 0.00 0.00 0.00 0.00 51.96 52.36 1u00 s ALA 452 Cb 0.09 0.48 0.01 0.00 0.00 0.00 0.00 23.12 23.69 1u00 s ALA 452 CO 0.62 -0.80 0.10 0.50 0.00 0.00 0.00 175.76 176.17 1u00 s ARG 453 N -3.16 0.17 0.28 0.00 3.52 -1.26 -0.56 118.95 117.94 1u00 s ARG 453 Ca 0.07 0.03 -0.09 0.00 -0.13 0.00 0.00 55.73 55.61 1u00 s ARG 453 Cb -0.01 0.08 -0.00 0.00 -1.56 0.00 0.00 34.95 33.46 1u00 s ARG 453 CO -0.05 -0.03 0.48 -0.59 -0.81 0.00 0.00 175.30 174.30 1u00 s PHE 454 N -0.21 0.60 0.08 5.12 -0.12 -0.50 -5.02 117.98 117.94 1u00 s PHE 454 Ca -0.03 -0.94 0.09 0.00 -0.05 0.00 0.00 56.93 56.01 1u00 s PHE 454 Cb -0.02 0.11 -0.03 0.00 -0.63 0.00 0.00 43.02 42.45 1u00 s PHE 454 CO 0.00 -1.06 -0.25 0.00 -0.05 0.00 0.00 175.22 173.87 1u00 s ALA 455 N -3.62 2.15 -0.12 1.99 0.00 -1.26 -0.48 121.76 120.42 1u00 s ALA 455 Ca 0.25 -1.30 -0.18 0.00 0.00 0.00 0.00 51.96 50.74 1u00 s ALA 455 Cb -0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 1u00 s ALA 455 CO 0.13 0.49 0.47 -1.17 0.00 0.00 0.00 175.76 175.68 1u00 s LEU 456 N -1.58 4.27 0.30 0.00 2.96 -0.15 -4.85 118.68 119.64 1u00 s LEU 456 Ca 0.11 0.79 0.05 0.00 -0.22 0.00 0.00 54.13 54.86 1u00 s LEU 456 Cb -0.10 -2.68 -0.06 0.00 0.50 0.00 0.00 46.19 43.85 1u00 s LEU 456 CO 0.04 -0.00 0.01 -0.13 -1.32 0.00 0.00 176.35 174.95 1u00 s ARG 457 N 0.66 1.59 0.00 1.98 0.52 -1.26 -0.78 118.95 121.66 1u00 s ARG 457 Ca 0.25 -1.85 0.00 0.00 -0.52 0.00 0.00 55.73 53.61 1u00 s ARG 457 Cb -0.15 -0.95 0.00 0.00 0.52 0.00 0.00 34.95 34.37 1u00 s ARG 457 CO 0.10 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.73 1u00 n GLY 458 N -0.63 0.50 3.73 -3.53 0.00 -0.97 -4.84 105.19 99.45 1u00 n GLY 458 Ca -0.04 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1u00 n GLY 458 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u00 s ILE 459 N -2.00 2.89 0.39 -0.61 1.01 -0.49 -4.94 121.20 117.45 1u00 s ILE 459 Ca 0.00 0.69 -0.27 0.00 0.00 0.00 0.00 60.65 61.07 1u00 s ILE 459 Cb 0.00 -3.44 -0.11 0.00 0.01 0.00 0.00 42.46 38.92 1u00 s ILE 459 CO 0.00 0.08 1.36 -2.65 0.00 0.00 0.00 174.94 173.73 1u00 n PRO 460 N 3.14 2.24 -2.31 2.79 -0.02 -1.26 -4.42 135.00 135.16 1u00 n PRO 460 Ca 0.09 0.79 -0.43 0.00 -2.02 0.00 0.00 63.50 61.94 1u00 n PRO 460 Cb 0.41 -2.47 -0.02 0.00 -0.02 0.00 0.00 33.50 31.39 1u00 n PRO 460 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u00 s ALA 461 N -1.14 3.64 0.16 3.55 0.00 -1.26 -4.87 121.76 121.84 1u00 s ALA 461 Ca 0.57 0.57 -0.06 0.00 0.00 0.00 0.00 51.96 53.04 1u00 s ALA 461 Cb -0.51 -3.66 -0.02 0.00 0.00 0.00 0.00 23.12 18.93 1u00 s ALA 461 CO 0.61 -1.26 0.21 -0.51 0.00 0.00 0.00 175.76 174.81 1u00 s LEU 462 N 3.69 1.20 0.74 0.00 1.43 -1.26 -4.85 118.68 119.63 1u00 s LEU 462 Ca 0.60 -1.03 -0.15 0.00 -1.03 0.00 0.00 54.13 52.52 1u00 s LEU 462 Cb -0.25 0.87 0.03 0.00 0.03 0.00 0.00 46.19 46.88 1u00 s LEU 462 CO 0.19 -0.85 1.11 -2.65 0.23 0.00 0.00 176.35 174.38 1u00 n PRO 463 N -0.19 0.49 -1.65 1.29 -0.02 -1.26 0.04 135.00 133.70 1u00 n PRO 463 Ca -0.06 0.23 -0.46 0.00 -2.02 0.00 0.00 63.50 61.20 1u00 n PRO 463 Cb 0.63 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 1u00 n PRO 463 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u00 n ALA 464 N -2.70 0.72 -0.89 3.55 0.00 -1.26 -1.23 120.51 118.70 1u00 n ALA 464 Ca 0.14 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1u00 n ALA 464 Cb 0.50 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1u00 n ALA 464 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u00 n GLY 465 N 2.44 0.80 0.11 0.00 0.00 -1.00 -4.93 105.19 102.61 1u00 n GLY 465 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 1u00 n GLY 465 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u00 n GLY 466 N -2.33 -0.78 3.75 -0.02 0.00 -0.37 -4.79 105.19 100.66 1u00 n GLY 466 Ca 0.00 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 1u00 n GLY 466 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u00 s ALA 467 N -2.56 3.38 -0.28 4.61 0.00 -1.26 -5.01 121.76 120.63 1u00 s ALA 467 Ca -0.15 0.79 -0.06 0.00 0.00 0.00 0.00 51.96 52.55 1u00 s ALA 467 Cb 0.07 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.91 1u00 s ALA 467 CO 0.78 -0.04 0.06 -1.58 0.00 0.00 0.00 175.76 174.98 1u00 s HIS 468 N -1.05 3.13 -0.15 0.00 2.46 -1.26 -4.24 115.29 114.18 1u00 s HIS 468 Ca 0.44 -1.03 -0.05 0.00 0.47 0.00 0.00 55.06 54.89 1u00 s HIS 468 Cb -0.30 -2.22 -0.03 0.00 -0.13 0.00 0.00 32.58 29.90 1u00 s HIS 468 CO 0.37 -0.58 0.01 0.42 -2.47 0.00 0.00 174.74 172.49 1u00 s ILE 469 N 1.48 4.35 -0.16 0.89 1.09 -0.30 -0.91 121.20 127.64 1u00 s ILE 469 Ca 0.03 -0.20 -0.03 0.00 -1.10 0.00 0.00 60.65 59.34 1u00 s ILE 469 Cb -0.17 -2.91 -0.03 0.00 -1.06 0.00 0.00 42.46 38.30 1u00 s ILE 469 CO 0.01 0.51 -0.04 -0.60 -0.10 0.00 0.00 174.94 174.72 1u00 s ARG 470 N 0.07 3.63 -0.21 2.79 3.52 0.10 -0.91 118.95 127.94 1u00 s ARG 470 Ca 0.03 -0.54 -0.05 0.00 -0.13 0.00 0.00 55.73 55.04 1u00 s ARG 470 Cb -0.13 -2.90 -0.02 0.00 -1.56 0.00 0.00 34.95 30.34 1u00 s ARG 470 CO 0.02 0.22 -0.01 0.08 -0.81 0.00 0.00 175.30 174.79 1u00 s VAL 471 N 0.42 3.75 -0.16 7.11 1.01 -0.22 -1.20 120.40 131.11 1u00 s VAL 471 Ca -0.04 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 1u00 s VAL 471 Cb -0.14 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1u00 s VAL 471 CO 0.03 0.41 0.01 -0.89 0.00 0.00 0.00 175.10 174.66 1u00 s THR 472 N 1.28 4.34 -0.15 3.92 2.01 0.05 -1.33 115.64 125.75 1u00 s THR 472 Ca 0.04 -0.20 -0.05 0.00 0.31 0.00 0.00 61.69 61.79 1u00 s THR 472 Cb -0.15 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.41 1u00 s THR 472 CO 0.00 0.49 -0.00 -0.36 -0.69 0.00 0.00 174.62 174.06 1u00 s PHE 473 N 0.29 3.12 -0.08 4.92 0.40 0.29 -0.99 117.98 125.93 1u00 s PHE 473 Ca 0.00 -0.10 0.02 0.00 -0.60 0.00 0.00 56.93 56.25 1u00 s PHE 473 Cb -0.13 -1.97 0.01 0.00 0.51 0.00 0.00 43.02 41.44 1u00 s PHE 473 CO 0.02 0.10 -0.13 -1.14 0.70 0.00 0.00 175.22 174.77 1u00 s GLN 474 N 0.17 1.82 -0.17 0.44 0.74 0.33 -1.62 119.66 121.38 1u00 s GLN 474 Ca 0.01 -0.44 0.01 0.00 0.05 0.00 0.00 55.36 54.98 1u00 s GLN 474 Cb -0.13 -1.52 0.02 0.00 1.10 0.00 0.00 33.01 32.48 1u00 s GLN 474 CO 0.02 0.01 -0.18 0.08 -0.55 0.00 0.00 175.29 174.67 1u00 s VAL 475 N 0.75 1.87 0.79 1.34 1.01 0.07 -0.97 120.40 125.27 1u00 s VAL 475 Ca -0.13 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 60.94 1u00 s VAL 475 Cb -0.16 -1.70 0.11 0.00 0.00 0.00 0.00 36.38 34.63 1u00 s VAL 475 CO 0.03 0.51 1.12 1.51 0.00 0.00 0.00 175.10 178.26 1u00 s ASP 476 N 1.34 4.25 0.59 3.32 1.47 -0.35 -1.47 116.67 125.82 1u00 s ASP 476 Ca 0.04 0.34 0.32 0.00 1.18 0.00 0.00 52.55 54.43 1u00 s ASP 476 Cb -0.13 -0.77 1.86 0.00 -0.34 0.00 0.00 42.92 43.55 1u00 s ASP 476 CO -0.11 -1.98 2.25 0.00 0.68 0.00 0.00 175.17 176.00 1u00 h ALA 477 N -0.93 1.41 -0.16 2.11 0.00 -1.90 0.48 119.26 120.25 1u00 h ALA 477 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1u00 h ALA 477 Cb 1.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1u00 h ALA 477 CO 0.52 0.02 0.00 -0.25 0.00 0.00 0.00 179.25 179.55 1u00 n ASP 478 N -3.69 1.52 0.00 0.00 10.43 -1.26 -4.92 116.55 118.63 1u00 n ASP 478 Ca -0.03 -1.70 0.00 0.00 2.57 0.00 0.00 54.79 55.63 1u00 n ASP 478 Cb 0.10 -0.10 0.00 0.00 1.84 0.00 0.00 41.12 42.96 1u00 n ASP 478 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1u00 n GLY 479 N 1.09 0.75 3.73 0.44 0.00 0.16 -4.89 105.19 106.47 1u00 n GLY 479 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1u00 n GLY 479 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1u00 s LEU 480 N 0.00 4.38 -0.24 0.99 2.96 -1.26 -4.46 118.68 121.05 1u00 s LEU 480 Ca 0.00 2.57 -0.07 0.00 -0.22 0.00 0.00 54.13 56.41 1u00 s LEU 480 Cb 0.00 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 1u00 s LEU 480 CO 0.00 -0.75 0.06 -0.22 -1.32 0.00 0.00 176.35 174.12 1u00 s LEU 481 N 0.66 3.41 -0.09 -0.68 2.96 -1.15 -1.22 118.68 122.58 1u00 s LEU 481 Ca 0.66 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.36 1u00 s LEU 481 Cb -0.42 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.34 1u00 s LEU 481 CO 0.35 -0.02 -0.08 -0.44 -1.32 0.00 0.00 176.35 174.84 1u00 s SER 482 N 1.53 4.52 -0.07 3.68 0.01 -0.14 -0.57 113.70 122.65 1u00 s SER 482 Ca 0.06 -0.11 0.03 0.00 1.31 0.00 0.00 55.95 57.24 1u00 s SER 482 Cb -0.15 -1.32 0.01 0.00 0.21 0.00 0.00 66.02 64.77 1u00 s SER 482 CO 0.03 0.29 -0.17 -0.69 0.41 0.00 0.00 173.24 173.12 1u00 s VAL 483 N -0.40 1.47 -0.06 3.43 1.01 -0.13 -0.51 120.40 125.21 1u00 s VAL 483 Ca 0.06 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.38 1u00 s VAL 483 Cb -0.12 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1u00 s VAL 483 CO 0.02 0.43 -0.16 -0.89 0.00 0.00 0.00 175.10 174.50 1u00 s THR 484 N 0.43 1.41 -0.08 3.92 2.01 -0.17 -1.28 115.64 121.88 1u00 s THR 484 Ca -0.13 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.20 1u00 s THR 484 Cb -0.15 -1.23 -0.02 0.00 0.01 0.00 0.00 72.50 71.10 1u00 s THR 484 CO 0.05 0.41 -0.10 0.00 -0.69 0.00 0.00 174.62 174.29 1u00 s ALA 485 N 0.29 2.80 -0.06 7.40 0.00 0.30 -0.77 121.76 131.72 1u00 s ALA 485 Ca -0.10 -0.91 -0.08 0.00 0.00 0.00 0.00 51.96 50.87 1u00 s ALA 485 Cb -0.14 -1.17 0.02 0.00 0.00 0.00 0.00 23.12 21.83 1u00 s ALA 485 CO 0.04 0.46 0.21 1.41 0.00 0.00 0.00 175.76 177.88 1u00 s MET 486 N -0.40 0.35 0.01 0.00 0.00 -0.34 -1.27 119.30 117.65 1u00 s MET 486 Ca 0.05 0.11 -0.00 0.00 0.00 0.00 0.00 55.69 55.85 1u00 s MET 486 Cb -0.12 0.16 -0.04 0.00 0.00 0.00 0.00 34.83 34.83 1u00 s MET 486 CO 0.02 -0.06 0.09 -2.00 0.00 0.00 0.00 175.02 173.07 1u00 s GLU 487 N -0.34 3.08 -0.00 4.11 -6.30 -0.38 -0.72 118.70 118.15 1u00 s GLU 487 Ca -0.04 -0.50 -0.25 0.00 -2.50 0.00 0.00 54.97 51.67 1u00 s GLU 487 Cb -0.03 -2.86 -0.18 0.00 0.00 0.00 0.00 34.13 31.05 1u00 s GLU 487 CO 0.01 0.64 1.27 -0.22 0.02 0.00 0.00 175.26 176.98 1u00 h LYS 488 N 3.92 -0.16 0.00 4.30 3.64 -1.37 -1.54 116.57 125.37 1u00 h LYS 488 Ca -0.49 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 58.78 1u00 h LYS 488 Cb 1.18 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 1u00 h LYS 488 CO 0.64 0.22 -0.59 0.66 -2.27 0.00 0.00 179.45 178.11 1u00 h SER 489 N -0.56 0.00 0.00 4.20 4.64 -1.97 -3.30 113.55 116.56 1u00 h SER 489 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1u00 h SER 489 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1u00 h SER 489 CO 0.03 0.59 -0.70 0.35 -0.87 0.00 0.00 176.83 176.23 1u00 n THR 490 N -3.56 0.00 -0.96 2.95 -2.24 -1.26 -5.01 114.28 104.21 1u00 n THR 490 Ca -0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1u00 n THR 490 Cb 0.65 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 1u00 n THR 490 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u00 n GLY 491 N 1.70 0.67 3.64 3.38 0.00 -0.58 -4.98 105.19 109.03 1u00 n GLY 491 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1u00 n GLY 491 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1u00 n VAL 492 N -2.39 2.13 -3.91 1.61 3.14 -1.25 -4.64 118.33 113.02 1u00 n VAL 492 Ca 0.00 -0.50 -0.09 0.00 -2.96 0.00 0.00 64.34 60.79 1u00 n VAL 492 Cb 0.03 -1.28 -0.08 0.00 -1.06 0.00 0.00 33.84 31.45 1u00 n VAL 492 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1u00 s GLU 493 N -1.82 0.72 0.00 1.45 -1.05 -1.26 -1.24 118.70 115.50 1u00 s GLU 493 Ca 0.59 -0.90 -0.03 0.00 -0.15 0.00 0.00 54.97 54.48 1u00 s GLU 493 Cb -0.61 0.29 -0.01 0.00 -0.44 0.00 0.00 34.13 33.36 1u00 s GLU 493 CO 0.60 -0.20 0.04 0.00 0.95 0.00 0.00 175.26 176.65 1u00 s ALA 494 N -3.36 -0.08 0.08 -0.84 0.00 -0.40 -4.92 121.76 112.24 1u00 s ALA 494 Ca 0.01 -0.23 -0.14 0.00 0.00 0.00 0.00 51.96 51.61 1u00 s ALA 494 Cb 0.03 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.23 1u00 s ALA 494 CO -0.08 -0.13 0.32 -1.54 0.00 0.00 0.00 175.76 174.32 1u00 s SER 495 N -0.96 -0.11 0.10 0.00 1.04 -1.26 -0.54 113.70 111.97 1u00 s SER 495 Ca -0.10 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.01 1u00 s SER 495 Cb -0.06 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 1u00 s SER 495 CO 0.00 -0.73 -0.08 0.27 0.98 0.00 0.00 173.24 173.68 1u00 s ILE 496 N -3.31 0.81 -0.05 -1.02 -4.36 -0.40 -5.00 121.20 107.87 1u00 s ILE 496 Ca 0.00 -1.79 0.06 0.00 -0.26 0.00 0.00 60.65 58.67 1u00 s ILE 496 Cb 0.02 -1.51 -0.01 0.00 1.25 0.00 0.00 42.46 42.21 1u00 s ILE 496 CO -0.08 -0.72 -0.24 -1.10 0.24 0.00 0.00 174.94 173.03 1u00 s GLN 497 N -3.31 2.37 -0.27 0.37 -0.21 -1.26 -0.96 119.66 116.40 1u00 s GLN 497 Ca 0.09 -0.88 0.01 0.00 0.02 0.00 0.00 55.36 54.59 1u00 s GLN 497 Cb 0.01 -2.07 0.05 0.00 1.00 0.00 0.00 33.01 32.00 1u00 s GLN 497 CO -0.02 0.41 -0.08 0.08 -2.12 0.00 0.00 175.29 173.56 1u00 s VAL 498 N -0.25 2.50 0.38 1.09 1.01 0.26 -5.01 120.40 120.39 1u00 s VAL 498 Ca -0.01 -1.46 -0.28 0.00 0.00 0.00 0.00 61.98 60.24 1u00 s VAL 498 Cb -0.13 -2.41 -0.10 0.00 0.00 0.00 0.00 36.38 33.73 1u00 s VAL 498 CO 0.02 -0.00 1.46 -1.59 0.00 0.00 0.00 175.10 174.99 1u00 s LYS 499 N 1.18 4.07 0.24 2.72 0.00 -1.26 -2.93 119.74 123.76 1u00 s LYS 499 Ca -0.06 2.50 -0.31 0.00 0.00 0.00 0.00 55.97 58.10 1u00 s LYS 499 Cb -0.19 -2.93 -0.13 0.00 0.00 0.00 0.00 37.83 34.58 1u00 s LYS 499 CO -0.04 -0.54 1.49 -2.30 0.00 0.00 0.00 175.35 173.95 1u00 n PRO 500 N 0.39 2.25 -1.79 1.78 -0.02 -1.26 -4.98 135.00 131.37 1u00 n PRO 500 Ca 0.02 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1u00 n PRO 500 Cb 0.40 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1u00 n PRO 500 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1u00 n SER 501 N 2.35 0.00 -4.01 2.55 3.41 -1.26 -5.08 113.62 111.58 1u00 n SER 501 Ca 0.11 -0.97 -0.57 0.00 -0.26 0.00 0.00 58.87 57.19 1u00 n SER 501 Cb 0.33 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.17 1u00 n SER 501 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u00 n TYR 502 N 0.00 1.17 -0.71 7.33 9.36 -1.26 -4.78 117.16 128.26 1u00 n TYR 502 Ca 0.00 0.77 -0.30 0.00 3.32 0.00 0.00 57.90 61.69 1u00 n TYR 502 Cb 0.00 -2.11 0.26 0.00 -0.63 0.00 0.00 39.34 36.86 1u00 n TYR 502 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1u00 s GLY 503 N 5.08 1.50 0.06 2.98 0.00 -1.26 -5.00 107.32 110.69 1u00 s GLY 503 Ca 1.09 -0.81 -0.16 0.00 0.00 0.00 0.00 44.72 44.84 1u00 s GLY 503 CO 0.64 0.12 0.49 1.08 0.00 0.00 0.00 173.10 175.43 1u00 s LEU 504 N -7.38 4.45 0.75 0.66 1.43 -1.26 -5.08 118.68 112.25 1u00 s LEU 504 Ca 0.69 1.08 -0.15 0.00 -1.03 0.00 0.00 54.13 54.72 1u00 s LEU 504 Cb -0.13 -2.87 0.05 0.00 0.03 0.00 0.00 46.19 43.27 1u00 s LEU 504 CO 0.58 0.25 1.23 0.28 0.23 0.00 0.00 176.35 178.92 1u00 s THR 505 N -1.20 2.08 0.50 5.49 -1.32 -1.26 -4.89 115.64 115.04 1u00 s THR 505 Ca 0.29 0.04 0.18 0.00 -1.21 0.00 0.00 61.69 60.99 1u00 s THR 505 Cb -0.17 -2.64 0.26 0.00 -1.51 0.00 0.00 72.50 68.43 1u00 s THR 505 CO 0.17 -0.02 2.11 0.44 -2.21 0.00 0.00 174.62 175.11 1u00 h ASP 506 N -0.38 0.00 0.75 8.08 5.19 -1.99 -2.04 116.42 126.03 1u00 h ASP 506 Ca -0.48 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 55.68 1u00 h ASP 506 Cb 1.31 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.80 1u00 h ASP 506 CO 0.49 0.06 -1.23 0.77 -3.12 0.00 0.00 179.24 176.21 1u00 h SER 507 N 0.00 0.19 -0.30 6.45 4.64 -1.99 -0.92 113.55 121.62 1u00 h SER 507 Ca -0.00 -0.22 -0.15 0.00 -0.47 0.00 0.00 61.79 60.95 1u00 h SER 507 Cb 0.11 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1u00 h SER 507 CO 0.01 1.18 -0.36 -0.33 -0.87 0.00 0.00 176.83 176.45 1u00 h GLU 508 N 0.03 0.84 0.05 4.77 3.07 -1.89 -1.39 114.58 120.07 1u00 h GLU 508 Ca -0.11 -0.42 0.01 0.00 -0.50 0.00 0.00 59.36 58.33 1u00 h GLU 508 Cb 1.89 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.80 1u00 h GLU 508 CO 0.15 1.06 -0.09 0.82 -1.40 0.00 0.00 179.01 179.55 1u00 h ILE 509 N 0.69 0.79 -1.00 3.13 2.04 -1.27 -0.92 117.51 120.97 1u00 h ILE 509 Ca 0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.96 1u00 h ILE 509 Cb 0.92 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 1u00 h ILE 509 CO 0.09 0.00 0.65 0.00 0.00 0.00 0.00 178.15 178.89 1u00 h ALA 510 N 0.76 1.32 -0.32 1.87 0.00 -1.06 -0.48 119.26 121.34 1u00 h ALA 510 Ca 0.02 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1u00 h ALA 510 Cb 0.19 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1u00 h ALA 510 CO -0.05 0.57 -0.27 1.03 0.00 0.00 0.00 179.25 180.53 1u00 h SER 511 N 1.28 0.67 -0.30 0.00 0.87 -0.98 0.15 113.55 115.23 1u00 h SER 511 Ca 0.39 -0.25 -0.15 0.00 -1.23 0.00 0.00 61.79 60.56 1u00 h SER 511 Cb -0.02 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 1u00 h SER 511 CO -0.12 0.91 -0.37 0.24 -0.53 0.00 0.00 176.83 176.96 1u00 h MET 512 N 0.57 0.85 -0.15 2.24 2.07 -0.55 0.04 114.93 119.99 1u00 h MET 512 Ca 0.07 -0.43 -0.01 0.00 -2.07 0.00 0.00 59.70 57.27 1u00 h MET 512 Cb 0.75 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.48 1u00 h MET 512 CO 0.06 1.07 0.07 0.82 1.07 0.00 0.00 176.91 180.00 1u00 h ILE 513 N 0.70 1.14 -0.54 -1.22 2.04 -0.72 -2.64 117.51 116.26 1u00 h ILE 513 Ca 0.06 -0.40 -0.10 0.00 1.00 0.00 0.00 64.86 65.43 1u00 h ILE 513 Cb 0.94 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 1u00 h ILE 513 CO 0.09 0.13 -0.05 0.50 0.00 0.00 0.00 178.15 178.82 1u00 h LYS 514 N 0.11 0.96 -0.39 2.37 3.64 -0.53 -2.42 116.57 120.31 1u00 h LYS 514 Ca 0.05 -0.31 -0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1u00 h LYS 514 Cb 0.14 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1u00 h LYS 514 CO -0.01 0.98 0.24 -0.44 -2.27 0.00 0.00 179.45 177.95 1u00 h ASP 515 N 0.87 0.45 -0.11 4.20 3.32 -0.98 -1.73 116.42 122.45 1u00 h ASP 515 Ca 0.15 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 1u00 h ASP 515 Cb 0.58 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1u00 h ASP 515 CO 0.03 0.35 0.01 0.77 -1.72 0.00 0.00 179.24 178.68 1u00 h SER 516 N 0.53 0.26 0.05 6.45 4.64 -1.05 0.15 113.55 124.58 1u00 h SER 516 Ca 0.14 -0.03 -0.19 0.00 -0.47 0.00 0.00 61.79 61.24 1u00 h SER 516 Cb -0.03 -0.07 0.02 0.00 -0.31 0.00 0.00 62.40 62.01 1u00 h SER 516 CO -0.03 0.31 -0.78 -0.03 -0.87 0.00 0.00 176.83 175.43 1u00 h MET 517 N 0.28 0.44 -0.41 4.77 1.85 -1.46 -2.95 114.93 117.46 1u00 h MET 517 Ca 0.07 -0.54 -0.02 0.00 -0.61 0.00 0.00 59.70 58.60 1u00 h MET 517 Cb 0.18 0.17 -0.02 0.00 0.43 0.00 0.00 31.60 32.36 1u00 h MET 517 CO 0.00 1.19 0.16 0.77 -0.40 0.00 0.00 176.91 178.64 1u00 h SER 518 N -0.08 0.52 -0.39 1.39 0.02 -0.88 -1.95 113.55 112.18 1u00 h SER 518 Ca -0.11 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 1u00 h SER 518 Cb 1.51 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.90 1u00 h SER 518 CO 0.15 0.47 0.02 -1.22 -1.14 0.00 0.00 176.83 175.11 1u00 n TYR 519 N -4.38 1.39 -0.23 3.45 4.01 0.00 -4.71 117.16 116.69 1u00 n TYR 519 Ca 0.03 -0.89 -0.03 0.00 -0.16 0.00 0.00 57.90 56.85 1u00 n TYR 519 Cb 0.14 -0.41 0.08 0.00 -0.31 0.00 0.00 39.34 38.85 1u00 n TYR 519 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1u00 h ALA 520 N 2.47 0.87 0.08 -0.72 0.00 -1.16 0.08 119.26 120.88 1u00 h ALA 520 Ca 0.03 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.65 1u00 h ALA 520 Cb 1.68 -0.17 0.03 0.00 0.00 0.00 0.00 17.79 19.32 1u00 h ALA 520 CO 0.35 0.11 -1.16 1.05 0.00 0.00 0.00 179.25 179.60 1u00 h GLU 521 N 0.75 0.64 -0.46 0.00 4.11 -1.84 -0.53 114.58 117.24 1u00 h GLU 521 Ca 0.28 -0.80 0.05 0.00 0.07 0.00 0.00 59.36 58.96 1u00 h GLU 521 Cb 0.09 0.25 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 1u00 h GLU 521 CO -0.14 1.36 0.18 0.37 0.07 0.00 0.00 179.01 180.85 1u00 h GLN 522 N 0.29 0.36 -0.84 1.06 4.15 -1.87 -2.39 115.11 115.86 1u00 h GLN 522 Ca -0.17 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.26 1u00 h GLN 522 Cb 1.83 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 29.39 1u00 h GLN 522 CO 0.22 0.24 0.56 -0.44 -1.93 0.00 0.00 178.83 177.48 1u00 h ASP 523 N 0.37 0.92 -0.40 -0.69 3.32 -0.79 0.06 116.42 119.22 1u00 h ASP 523 Ca 0.21 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 1u00 h ASP 523 Cb 0.19 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1u00 h ASP 523 CO -0.20 0.64 0.14 0.58 -1.72 0.00 0.00 179.24 178.68 1u00 h VAL 524 N 1.07 1.20 -0.65 -1.35 2.07 -0.76 -0.74 116.25 117.09 1u00 h VAL 524 Ca 0.33 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1u00 h VAL 524 Cb -0.01 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1u00 h VAL 524 CO -0.09 0.23 0.32 0.11 0.02 0.00 0.00 177.57 178.15 1u00 h LYS 525 N 0.49 0.93 -0.52 1.57 1.57 -1.14 -1.18 116.57 118.30 1u00 h LYS 525 Ca 0.13 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1u00 h LYS 525 Cb 0.22 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1u00 h LYS 525 CO -0.01 0.74 0.30 0.00 -0.57 0.00 0.00 179.45 179.91 1u00 h ALA 526 N 1.14 0.66 -0.77 3.86 0.00 -0.82 -1.50 119.26 121.84 1u00 h ALA 526 Ca 0.22 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1u00 h ALA 526 Cb 0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1u00 h ALA 526 CO -0.03 0.17 0.30 -0.09 0.00 0.00 0.00 179.25 179.60 1u00 h ARG 527 N 0.69 1.15 -0.32 0.00 2.43 -0.93 -0.01 114.38 117.39 1u00 h ARG 527 Ca 0.18 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1u00 h ARG 527 Cb 0.02 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 1u00 h ARG 527 CO -0.03 0.94 0.10 0.52 -1.51 0.00 0.00 179.97 179.99 1u00 h MET 528 N 1.11 0.50 0.04 0.20 2.86 -0.98 0.12 114.93 118.77 1u00 h MET 528 Ca 0.25 -0.10 0.03 0.00 -2.06 0.00 0.00 59.70 57.82 1u00 h MET 528 Cb 0.22 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.76 1u00 h MET 528 CO -0.02 0.53 -0.37 1.25 1.06 0.00 0.00 176.91 179.36 1u00 h LEU 529 N 0.36 -1.11 -1.21 1.22 5.85 -1.15 -1.42 115.31 117.85 1u00 h LEU 529 Ca 0.10 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 1u00 h LEU 529 Cb 0.24 0.43 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1u00 h LEU 529 CO -0.00 -0.43 0.36 0.00 -0.34 0.00 0.00 178.44 178.02 1u00 h ALA 530 N 0.06 1.40 0.00 1.25 0.00 -0.82 -1.48 119.26 119.67 1u00 h ALA 530 Ca 0.05 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1u00 h ALA 530 Cb 0.62 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1u00 h ALA 530 CO -0.27 0.50 -0.53 0.93 0.00 0.00 0.00 179.25 179.87 1u00 h GLU 531 N 0.91 0.00 -0.22 0.00 5.08 -0.53 -0.34 114.58 119.49 1u00 h GLU 531 Ca 0.23 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.43 1u00 h GLU 531 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1u00 h GLU 531 CO -0.04 0.53 -0.54 1.96 -1.00 0.00 0.00 179.01 179.93 1u00 h GLN 532 N 0.00 0.63 -0.75 2.33 1.08 -0.61 -1.99 115.11 115.80 1u00 h GLN 532 Ca -0.01 -0.39 -0.04 0.00 -1.45 0.00 0.00 58.65 56.76 1u00 h GLN 532 Cb 0.96 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.40 1u00 h GLN 532 CO 0.07 1.01 0.32 0.87 -0.95 0.00 0.00 178.83 180.14 1u00 h LYS 533 N 0.49 1.10 -0.53 1.46 1.57 -0.76 -1.24 116.57 118.66 1u00 h LYS 533 Ca 0.01 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 1u00 h LYS 533 Cb 1.09 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 1u00 h LYS 533 CO 0.11 0.88 0.19 0.28 -0.57 0.00 0.00 179.45 180.34 1u00 h VAL 534 N 1.08 1.23 -0.98 0.50 2.07 -0.92 -1.66 116.25 117.57 1u00 h VAL 534 Ca 0.25 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 67.06 1u00 h VAL 534 Cb 0.18 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 1u00 h VAL 534 CO -0.02 0.27 0.65 -0.08 0.02 0.00 0.00 177.57 178.41 1u00 h GLU 535 N 0.72 1.29 -0.15 1.57 4.57 -1.19 0.18 114.58 121.58 1u00 h GLU 535 Ca 0.17 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1u00 h GLU 535 Cb 0.24 -0.29 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1u00 h GLU 535 CO -0.01 0.85 0.10 0.00 -1.18 0.00 0.00 179.01 178.77 1u00 h ALA 536 N 1.39 0.19 -0.06 2.92 0.00 -0.94 -0.98 119.26 121.77 1u00 h ALA 536 Ca 0.36 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 1u00 h ALA 536 Cb -0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1u00 h ALA 536 CO -0.08 -0.32 -0.28 0.00 0.00 0.00 0.00 179.25 178.57 1u00 h ALA 537 N 1.04 1.42 -0.32 0.00 0.00 -0.66 -1.18 119.26 119.57 1u00 h ALA 537 Ca 0.05 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1u00 h ALA 537 Cb -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1u00 h ALA 537 CO -0.01 0.41 0.05 -0.09 0.00 0.00 0.00 179.25 179.61 1u00 h ARG 538 N 0.10 0.53 -0.53 0.00 2.43 -0.12 -0.80 114.38 115.98 1u00 h ARG 538 Ca 0.02 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 58.98 1u00 h ARG 538 Cb 0.55 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1u00 h ARG 538 CO 0.04 0.62 0.07 0.28 -1.51 0.00 0.00 179.97 179.47 1u00 h VAL 539 N 0.35 1.25 -0.40 0.20 2.07 -0.78 -1.84 116.25 117.10 1u00 h VAL 539 Ca 0.10 -0.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.58 1u00 h VAL 539 Cb 0.35 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1u00 h VAL 539 CO 0.01 0.35 -0.00 -0.07 0.02 0.00 0.00 177.57 177.87 1u00 h LEU 540 N 0.77 0.61 -0.23 2.57 3.38 -1.13 -1.47 115.31 119.80 1u00 h LEU 540 Ca 0.16 -0.13 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 1u00 h LEU 540 Cb 0.42 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1u00 h LEU 540 CO 0.01 0.68 -0.52 -0.08 0.09 0.00 0.00 178.44 178.63 1u00 h GLU 541 N 0.61 0.76 -0.54 1.13 4.57 -0.93 0.88 114.58 121.06 1u00 h GLU 541 Ca 0.12 -0.51 -0.05 0.00 -1.18 0.00 0.00 59.36 57.75 1u00 h GLU 541 Cb 0.39 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 1u00 h GLU 541 CO 0.01 1.13 0.16 1.03 -1.18 0.00 0.00 179.01 180.17 1u00 h SER 542 N 0.50 0.80 -0.15 1.04 0.87 -1.13 -1.57 113.55 113.91 1u00 h SER 542 Ca 0.00 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1u00 h SER 542 Cb 1.13 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 1u00 h SER 542 CO 0.11 0.80 0.08 0.25 -0.53 0.00 0.00 176.83 177.54 1u00 h LEU 543 N 0.75 0.19 -0.71 2.23 5.85 -1.16 -0.67 115.31 121.80 1u00 h LEU 543 Ca 0.17 -0.10 0.12 0.00 0.84 0.00 0.00 57.88 58.91 1u00 h LEU 543 Cb 0.29 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.19 1u00 h LEU 543 CO -0.00 0.24 0.29 -0.74 -0.34 0.00 0.00 178.44 177.88 1u00 h HIS 544 N 0.12 0.50 -0.50 1.25 2.76 -0.68 0.70 115.15 119.30 1u00 h HIS 544 Ca 0.05 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.22 1u00 h HIS 544 Cb 0.10 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.92 1u00 h HIS 544 CO -0.03 0.10 0.16 0.78 -1.30 0.00 0.00 177.93 177.63 1u00 h GLY 545 N 0.46 0.84 0.93 5.26 0.00 -0.92 -1.13 103.07 108.51 1u00 h GLY 545 Ca 0.37 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 1u00 h GLY 545 CO -0.36 0.46 0.13 0.00 0.00 0.00 0.00 176.54 176.78 1u00 h ALA 546 N 1.02 0.42 -0.87 3.60 0.00 -0.49 -1.42 119.26 121.52 1u00 h ALA 546 Ca 0.16 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1u00 h ALA 546 Cb 0.27 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1u00 h ALA 546 CO -0.01 0.01 0.54 -0.07 0.00 0.00 0.00 179.25 179.73 1u00 h LEU 547 N 0.38 0.87 -1.07 0.00 3.38 -0.81 0.25 115.31 118.31 1u00 h LEU 547 Ca 0.11 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1u00 h LEU 547 Cb 0.17 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1u00 h LEU 547 CO -0.01 0.57 0.63 0.00 0.09 0.00 0.00 178.44 179.72 1u00 h ALA 548 N 1.39 1.37 0.11 1.53 0.00 -0.89 -2.43 119.26 120.35 1u00 h ALA 548 Ca 0.37 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 55.04 1u00 h ALA 548 Cb 0.13 -0.35 0.02 0.00 0.00 0.00 0.00 17.79 17.59 1u00 h ALA 548 CO -0.16 0.54 -0.81 0.00 0.00 0.00 0.00 179.25 178.82 1u00 h ALA 549 N 1.44 -0.05 -0.23 0.00 0.00 -0.64 -3.42 119.26 116.35 1u00 h ALA 549 Ca 0.37 -0.67 -0.21 0.00 0.00 0.00 0.00 54.91 54.40 1u00 h ALA 549 Cb -0.02 0.09 -0.32 0.00 0.00 0.00 0.00 17.79 17.54 1u00 h ALA 549 CO -0.11 0.40 -0.92 -0.25 0.00 0.00 0.00 179.25 178.37 1u00 n ASP 550 N -4.12 1.89 0.30 0.00 8.00 0.83 -4.81 116.55 118.64 1u00 n ASP 550 Ca -0.13 -2.66 0.16 0.00 0.71 0.00 0.00 54.79 52.87 1u00 n ASP 550 Cb 0.80 -0.40 0.95 0.00 -0.02 0.00 0.00 41.12 42.45 1u00 n ASP 550 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u00 h ALA 551 N 1.62 1.40 0.00 2.24 0.00 -1.61 -1.15 119.26 121.77 1u00 h ALA 551 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1u00 h ALA 551 Cb 1.49 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1u00 h ALA 551 CO 0.20 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.47 1u00 n ALA 552 N -2.27 1.61 1.25 0.00 0.00 -1.26 -1.63 120.51 118.20 1u00 n ALA 552 Ca -0.03 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.52 1u00 n ALA 552 Cb 0.10 -1.25 0.31 0.00 0.00 0.00 0.00 19.45 18.61 1u00 n ALA 552 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1u00 n LEU 553 N -1.63 1.92 -4.39 0.00 4.77 -0.43 -4.86 117.00 112.37 1u00 n LEU 553 Ca 0.03 -0.64 -0.32 0.00 -0.03 0.00 0.00 56.01 55.06 1u00 n LEU 553 Cb 0.17 -0.02 -0.14 0.00 -2.33 0.00 0.00 43.42 41.09 1u00 n LEU 553 CO 0.14 0.33 -0.52 -0.76 -1.33 0.00 0.00 177.39 175.25 1u00 s LEU 554 N -2.15 2.38 0.70 2.23 1.43 -0.65 -5.01 118.68 117.62 1u00 s LEU 554 Ca 0.30 -0.36 -0.14 0.00 -1.03 0.00 0.00 54.13 52.91 1u00 s LEU 554 Cb 0.20 -1.44 0.02 0.00 0.03 0.00 0.00 46.19 45.00 1u00 s LEU 554 CO 0.39 0.32 1.11 -0.94 0.23 0.00 0.00 176.35 177.47 1u00 s SER 555 N -0.75 4.80 0.46 2.29 1.04 -1.26 -4.83 113.70 115.45 1u00 s SER 555 Ca 0.11 1.99 0.13 0.00 0.48 0.00 0.00 55.95 58.66 1u00 s SER 555 Cb -0.10 -2.55 1.07 0.00 0.10 0.00 0.00 66.02 64.54 1u00 s SER 555 CO 0.00 -1.84 2.07 0.00 0.98 0.00 0.00 173.24 174.45 1u00 h ALA 556 N -0.36 1.93 0.22 5.32 0.00 -1.97 0.35 119.26 124.74 1u00 h ALA 556 Ca -0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1u00 h ALA 556 Cb 1.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1u00 h ALA 556 CO 0.53 0.02 -0.11 0.00 0.00 0.00 0.00 179.25 179.69 1u00 h ALA 557 N 1.82 -0.30 -0.66 0.00 0.00 -2.00 -1.51 119.26 116.60 1u00 h ALA 557 Ca 0.13 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1u00 h ALA 557 Cb 0.17 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1u00 h ALA 557 CO -0.03 -0.59 0.27 0.93 0.00 0.00 0.00 179.25 179.83 1u00 h GLU 558 N -0.47 0.97 -0.24 0.00 5.08 -1.77 -2.58 114.58 115.58 1u00 h GLU 558 Ca -0.03 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 1u00 h GLU 558 Cb 0.36 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1u00 h GLU 558 CO 0.05 0.79 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.73 1u00 h ARG 559 N 0.96 0.36 -0.14 2.33 9.65 -0.26 -2.38 114.38 124.89 1u00 h ARG 559 Ca 0.22 -0.07 -0.17 0.00 -1.10 0.00 0.00 59.98 58.87 1u00 h ARG 559 Cb 0.18 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 1u00 h ARG 559 CO -0.02 0.42 -0.61 0.37 2.80 0.00 0.00 179.97 182.92 1u00 h GLN 560 N 0.35 0.47 -0.73 0.20 5.75 -0.86 -0.62 115.11 119.66 1u00 h GLN 560 Ca 0.08 -0.33 -0.02 0.00 -0.15 0.00 0.00 58.65 58.23 1u00 h GLN 560 Cb 0.29 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.86 1u00 h GLN 560 CO 0.01 0.94 0.38 0.28 -2.65 0.00 0.00 178.83 177.79 1u00 h VAL 561 N 0.35 1.23 -0.08 2.39 2.07 -1.34 -1.23 116.25 119.64 1u00 h VAL 561 Ca -0.01 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1u00 h VAL 561 Cb 1.16 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1u00 h VAL 561 CO 0.11 0.26 -0.01 0.40 0.02 0.00 0.00 177.57 178.35 1u00 h ILE 562 N 1.02 1.28 -0.78 4.57 2.04 -1.26 -0.98 117.51 123.39 1u00 h ILE 562 Ca 0.26 -0.89 0.02 0.00 1.00 0.00 0.00 64.86 65.24 1u00 h ILE 562 Cb 0.07 1.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 1u00 h ILE 562 CO -0.04 0.25 0.52 0.44 0.00 0.00 0.00 178.15 179.32 1u00 h ASP 563 N -0.17 0.87 -0.34 1.72 3.32 -1.01 -0.01 116.42 120.80 1u00 h ASP 563 Ca 0.02 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.91 1u00 h ASP 563 Cb 0.40 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 1u00 h ASP 563 CO 0.01 0.61 -0.36 0.44 -1.72 0.00 0.00 179.24 178.22 1u00 h ASP 564 N 1.02 0.91 -0.50 6.45 3.32 -1.11 0.11 116.42 126.62 1u00 h ASP 564 Ca 0.30 -0.47 -0.06 0.00 0.02 0.00 0.00 57.03 56.81 1u00 h ASP 564 Cb -0.05 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 1u00 h ASP 564 CO -0.08 1.20 0.09 0.00 -1.72 0.00 0.00 179.24 178.73 1u00 h ALA 565 N 0.74 1.13 -0.11 3.45 0.00 -0.32 -1.78 119.26 122.37 1u00 h ALA 565 Ca 0.05 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1u00 h ALA 565 Cb 0.95 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1u00 h ALA 565 CO 0.09 0.58 -0.49 0.00 0.00 0.00 0.00 179.25 179.43 1u00 h ALA 566 N 1.27 0.20 -0.79 0.00 0.00 -0.80 -1.46 119.26 117.67 1u00 h ALA 566 Ca 0.17 -0.50 0.05 0.00 0.00 0.00 0.00 54.91 54.63 1u00 h ALA 566 Cb 0.37 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1u00 h ALA 566 CO 0.01 0.38 0.49 0.00 0.00 0.00 0.00 179.25 180.12 1u00 h ALA 567 N 0.48 1.07 -0.41 0.00 0.00 -0.77 -1.24 119.26 118.39 1u00 h ALA 567 Ca -0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1u00 h ALA 567 Cb 1.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1u00 h ALA 567 CO 0.10 0.25 -0.11 1.25 0.00 0.00 0.00 179.25 180.74 1u00 h HIS 568 N 0.92 0.78 -0.37 0.00 6.17 -1.06 -1.54 115.15 120.05 1u00 h HIS 568 Ca 0.34 -0.14 -0.04 0.00 0.71 0.00 0.00 60.37 61.23 1u00 h HIS 568 Cb 0.11 -0.20 -0.01 0.00 2.52 0.00 0.00 27.41 29.82 1u00 h HIS 568 CO -0.04 0.79 0.06 1.25 0.71 0.00 0.00 177.93 180.71 1u00 h LEU 569 N 0.65 0.59 -1.50 0.26 5.85 -1.06 -2.13 115.31 117.97 1u00 h LEU 569 Ca 0.11 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.58 1u00 h LEU 569 Cb 0.57 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1u00 h LEU 569 CO 0.04 0.70 0.34 -1.28 -0.34 0.00 0.00 178.44 177.90 1u00 h SER 570 N 0.46 0.58 -0.00 1.25 0.87 -1.05 -1.70 113.55 113.96 1u00 h SER 570 Ca 0.11 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1u00 h SER 570 Cb 0.36 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1u00 h SER 570 CO 0.01 0.41 -0.01 -0.08 -0.53 0.00 0.00 176.83 176.63 1u00 h GLU 571 N 0.68 0.02 0.00 2.24 4.81 -1.11 -3.27 114.58 117.95 1u00 h GLU 571 Ca 0.19 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1u00 h GLU 571 Cb -0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1u00 h GLU 571 CO -0.04 0.60 0.00 -0.39 -0.73 0.00 0.00 179.01 178.45 1u00 h VAL 572 N -0.56 0.00 0.00 0.32 -1.51 -1.13 -1.32 116.25 112.05 1u00 h VAL 572 Ca -0.00 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1u00 h VAL 572 Cb 0.60 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 31.19 1u00 h VAL 572 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 1u00 n ALA 573 N -2.00 2.09 1.03 5.19 0.00 -0.66 -2.08 120.51 124.07 1u00 n ALA 573 Ca 0.02 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1u00 n ALA 573 Cb 0.32 -1.43 0.49 0.00 0.00 0.00 0.00 19.45 18.82 1u00 n ALA 573 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1u00 n GLN 574 N -2.06 0.04 0.00 0.00 1.13 -0.50 -4.91 117.38 111.09 1u00 n GLN 574 Ca 0.05 -0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 1u00 n GLN 574 Cb 0.34 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.20 1u00 n GLN 574 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1u00 n GLY 575 N 1.48 1.96 0.80 1.08 0.00 -0.88 -5.06 105.19 104.57 1u00 n GLY 575 Ca 0.07 -1.95 0.03 0.00 0.00 0.00 0.00 46.02 44.17 1u00 n GLY 575 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1u00 n ASP 576 N 0.00 0.83 -4.31 1.61 8.00 -1.26 -4.99 116.55 116.43 1u00 n ASP 576 Ca 0.00 -2.34 -0.39 0.00 0.71 0.00 0.00 54.79 52.76 1u00 n ASP 576 Cb 0.00 -0.30 -0.11 0.00 -0.02 0.00 0.00 41.12 40.69 1u00 n ASP 576 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1u00 s ASP 577 N -1.82 5.54 0.29 -2.24 -1.08 -1.26 -4.99 116.67 111.10 1u00 s ASP 577 Ca 0.20 -1.17 0.03 0.00 -0.52 0.00 0.00 52.55 51.09 1u00 s ASP 577 Cb 0.21 -1.95 0.43 0.00 -1.46 0.00 0.00 42.92 40.15 1u00 s ASP 577 CO -0.06 -0.39 1.73 1.62 0.52 0.00 0.00 175.17 178.59 1u00 h VAL 578 N 6.05 1.26 -0.07 1.11 3.04 -1.95 -2.49 116.25 123.20 1u00 h VAL 578 Ca -0.24 -1.25 -0.18 0.00 -1.01 0.00 0.00 66.70 64.02 1u00 h VAL 578 Cb 1.09 1.35 -0.01 0.00 -2.01 0.00 0.00 31.29 31.71 1u00 h VAL 578 CO 0.66 0.40 -0.72 0.44 -1.01 0.00 0.00 177.57 177.33 1u00 h ASP 579 N 0.41 0.45 -0.45 3.17 3.32 -1.99 -1.57 116.42 119.76 1u00 h ASP 579 Ca 0.06 -0.29 -0.14 0.00 0.02 0.00 0.00 57.03 56.68 1u00 h ASP 579 Cb 0.66 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1u00 h ASP 579 CO 0.05 1.02 -0.28 0.00 -1.72 0.00 0.00 179.24 178.32 1u00 h ALA 580 N 0.97 0.64 -0.13 3.45 0.00 -1.93 -1.48 119.26 120.79 1u00 h ALA 580 Ca -0.03 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1u00 h ALA 580 Cb 1.29 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1u00 h ALA 580 CO 0.12 0.67 0.01 0.82 0.00 0.00 0.00 179.25 180.87 1u00 h ILE 581 N 0.83 1.24 -1.01 0.00 2.04 -1.34 -0.96 117.51 118.32 1u00 h ILE 581 Ca 0.09 -0.78 0.13 0.00 1.00 0.00 0.00 64.86 65.30 1u00 h ILE 581 Cb 0.86 1.52 -0.09 0.00 -0.74 0.00 0.00 36.82 38.38 1u00 h ILE 581 CO 0.08 0.23 0.63 -0.08 0.00 0.00 0.00 178.15 179.01 1u00 h GLU 582 N -0.04 0.95 -0.12 2.37 4.81 -1.21 -0.92 114.58 120.43 1u00 h GLU 582 Ca 0.04 -0.06 -0.23 0.00 -0.13 0.00 0.00 59.36 58.98 1u00 h GLU 582 Cb 0.34 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 29.52 1u00 h GLU 582 CO 0.01 0.63 -0.82 1.96 -0.73 0.00 0.00 179.01 180.05 1u00 h GLN 583 N 0.98 0.72 -0.32 1.92 4.20 -1.02 -2.26 115.11 119.34 1u00 h GLN 583 Ca 0.51 -0.62 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 1u00 h GLN 583 Cb 0.53 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1u00 h GLN 583 CO -0.28 1.23 0.06 0.00 -0.67 0.00 0.00 178.83 179.18 1u00 h ALA 584 N 0.59 1.52 -0.08 3.87 0.00 -0.43 -1.35 119.26 123.37 1u00 h ALA 584 Ca -0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1u00 h ALA 584 Cb 1.45 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1u00 h ALA 584 CO 0.16 0.36 -0.11 0.82 0.00 0.00 0.00 179.25 180.48 1u00 h ILE 585 N 0.45 1.38 -0.95 0.00 2.04 -1.07 -1.70 117.51 117.66 1u00 h ILE 585 Ca 0.11 -1.31 0.17 0.00 1.00 0.00 0.00 64.86 64.83 1u00 h ILE 585 Cb 0.20 2.06 -0.08 0.00 -0.74 0.00 0.00 36.82 38.26 1u00 h ILE 585 CO -0.00 0.37 0.60 0.11 0.00 0.00 0.00 178.15 179.23 1u00 h LYS 586 N -0.22 0.66 -0.32 2.37 1.57 -1.04 0.24 116.57 119.84 1u00 h LYS 586 Ca 0.01 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 1u00 h LYS 586 Cb 0.64 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1u00 h LYS 586 CO 0.03 0.44 -0.21 -0.97 -0.57 0.00 0.00 179.45 178.16 1u00 h ASN 587 N 0.68 0.73 -0.73 0.86 -1.24 -1.05 -0.51 115.58 114.32 1u00 h ASN 587 Ca 0.51 -0.43 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 1u00 h ASN 587 Cb 0.88 -0.20 -0.04 0.00 0.73 0.00 0.00 38.32 39.69 1u00 h ASN 587 CO -0.27 1.01 0.43 0.58 -1.29 0.00 0.00 177.43 177.88 1u00 h VAL 588 N 0.46 1.22 -0.39 2.57 2.07 -0.50 0.33 116.25 122.01 1u00 h VAL 588 Ca 0.06 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1u00 h VAL 588 Cb 0.76 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1u00 h VAL 588 CO 0.06 0.23 0.20 0.44 0.02 0.00 0.00 177.57 178.52 1u00 h ASP 589 N 1.01 0.50 -0.57 0.57 3.32 -0.78 -2.20 116.42 118.26 1u00 h ASP 589 Ca 0.26 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 1u00 h ASP 589 Cb -0.00 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1u00 h ASP 589 CO -0.05 0.47 0.02 0.11 -1.72 0.00 0.00 179.24 178.07 1u00 h LYS 590 N 0.50 0.99 0.00 3.56 6.56 -0.90 -2.39 116.57 124.90 1u00 h LYS 590 Ca 0.14 -0.31 0.00 0.00 -1.06 0.00 0.00 60.65 59.42 1u00 h LYS 590 Cb 0.09 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 31.65 1u00 h LYS 590 CO -0.02 0.98 0.00 1.04 -2.06 0.00 0.00 179.45 179.39 1u00 n GLN 591 N -4.25 0.08 -0.04 3.15 1.13 0.09 -3.11 117.38 114.43 1u00 n GLN 591 Ca 0.02 0.28 0.05 0.00 -1.94 0.00 0.00 57.00 55.41 1u00 n GLN 591 Cb 0.32 -1.65 0.06 0.00 0.11 0.00 0.00 30.24 29.09 1u00 n GLN 591 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1u00 n THR 592 N -1.80 0.27 -0.26 5.09 -2.24 -0.84 -4.67 114.28 109.82 1u00 n THR 592 Ca 0.04 -0.63 -0.05 0.00 -2.27 0.00 0.00 64.05 61.13 1u00 n THR 592 Cb 0.23 1.01 0.06 0.00 -2.10 0.00 0.00 70.33 69.53 1u00 n THR 592 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1u00 h GLN 593 N 1.85 0.96 -0.04 -0.78 7.50 -1.37 -0.04 115.11 123.19 1u00 h GLN 593 Ca 0.00 -0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.08 1u00 h GLN 593 Cb 0.48 -0.21 -0.00 0.00 0.05 0.00 0.00 27.48 27.79 1u00 h GLN 593 CO 0.00 0.64 0.00 -0.44 -1.50 0.00 0.00 178.83 177.53 1u00 h ASP 594 N 0.98 0.06 -0.40 1.46 3.32 -1.83 -1.06 116.42 118.95 1u00 h ASP 594 Ca 0.27 -0.30 0.08 0.00 0.02 0.00 0.00 57.03 57.10 1u00 h ASP 594 Cb -0.11 -0.02 -0.09 0.00 0.22 0.00 0.00 39.33 39.34 1u00 h ASP 594 CO -0.06 0.35 -0.23 0.15 -1.72 0.00 0.00 179.24 177.73 1u00 h PHE 595 N -0.23 -0.59 -0.53 4.55 3.57 -1.82 -0.39 116.94 121.51 1u00 h PHE 595 Ca 0.01 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 1u00 h PHE 595 Cb 0.32 0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 1u00 h PHE 595 CO 0.03 -0.30 0.15 0.00 -2.23 0.00 0.00 178.31 175.95 1u00 h ALA 596 N 1.06 1.27 -0.41 2.41 0.00 -0.70 -1.42 119.26 121.46 1u00 h ALA 596 Ca 0.19 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1u00 h ALA 596 Cb 0.46 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1u00 h ALA 596 CO -0.49 0.52 -0.28 0.00 0.00 0.00 0.00 179.25 179.00 1u00 h ALA 597 N 1.39 0.73 -0.88 0.00 0.00 -0.62 -1.67 119.26 118.22 1u00 h ALA 597 Ca 0.17 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1u00 h ALA 597 Cb 0.25 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1u00 h ALA 597 CO -0.01 0.66 0.46 0.00 0.00 0.00 0.00 179.25 180.37 1u00 h ARG 598 N 0.75 1.24 -0.34 0.00 3.08 -0.63 0.17 114.38 118.65 1u00 h ARG 598 Ca 0.09 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1u00 h ARG 598 Cb 0.84 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1u00 h ARG 598 CO 0.07 0.93 0.23 0.00 -1.07 0.00 0.00 179.97 180.12 1u00 h ARG 599 N 1.24 0.46 -0.37 0.04 3.08 -1.02 -0.50 114.38 117.31 1u00 h ARG 599 Ca 0.31 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.31 1u00 h ARG 599 Cb 0.06 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1u00 h ARG 599 CO -0.05 0.31 0.17 1.98 -1.07 0.00 0.00 179.97 181.31 1u00 h MET 600 N 0.46 0.54 -0.70 0.04 4.05 -0.92 -2.28 114.93 116.12 1u00 h MET 600 Ca 0.13 -0.09 0.08 0.00 -0.28 0.00 0.00 59.70 59.54 1u00 h MET 600 Cb -0.05 -0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 30.60 1u00 h MET 600 CO -0.03 0.50 0.37 -0.44 0.23 0.00 0.00 176.91 177.54 1u00 h ASP 601 N 0.45 0.51 0.11 1.39 3.32 -0.57 0.25 116.42 121.88 1u00 h ASP 601 Ca 0.12 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1u00 h ASP 601 Cb 0.15 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1u00 h ASP 601 CO -0.01 0.31 -0.05 -0.61 -1.72 0.00 0.00 179.24 177.16 1u00 h GLN 602 N 0.65 -0.14 -0.93 3.56 4.15 -0.94 0.15 115.11 121.60 1u00 h GLN 602 Ca 0.33 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.82 1u00 h GLN 602 Cb 0.29 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.95 1u00 h GLN 602 CO -0.23 -0.03 0.60 0.77 -1.93 0.00 0.00 178.83 178.02 1u00 h SER 603 N -0.22 0.95 0.06 -0.69 0.02 -0.73 -1.94 113.55 111.01 1u00 h SER 603 Ca -0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1u00 h SER 603 Cb 0.18 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1u00 h SER 603 CO 0.02 0.62 -0.03 0.58 -1.14 0.00 0.00 176.83 176.88 1u00 h VAL 604 N 1.09 1.22 -0.83 2.27 2.07 -0.02 -1.47 116.25 120.59 1u00 h VAL 604 Ca 0.39 -1.48 0.17 0.00 0.82 0.00 0.00 66.70 66.61 1u00 h VAL 604 Cb 0.15 2.12 -0.11 0.00 -1.52 0.00 0.00 31.29 31.93 1u00 h VAL 604 CO -0.14 0.34 0.35 -0.09 0.02 0.00 0.00 177.57 178.05 1u00 h ARG 605 N -0.81 0.44 -0.05 1.57 2.43 -0.77 0.75 114.38 117.93 1u00 h ARG 605 Ca -0.01 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1u00 h ARG 605 Cb 0.63 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1u00 h ARG 605 CO 0.01 0.29 -0.01 0.00 -1.51 0.00 0.00 179.97 178.75 1u00 h ARG 606 N 0.45 0.10 -0.57 0.20 3.08 -1.31 0.21 114.38 116.54 1u00 h ARG 606 Ca 0.48 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.48 1u00 h ARG 606 Cb 0.79 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.81 1u00 h ARG 606 CO -0.45 0.44 0.34 0.00 -1.07 0.00 0.00 179.97 179.23 1u00 h ALA 607 N 0.66 0.73 0.16 0.04 0.00 -0.93 -1.72 119.26 118.19 1u00 h ALA 607 Ca 0.01 -0.07 -0.32 0.00 0.00 0.00 0.00 54.91 54.53 1u00 h ALA 607 Cb 0.40 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1u00 h ALA 607 CO 0.00 0.21 -1.60 -0.07 0.00 0.00 0.00 179.25 177.80 1u00 h LEU 608 N 0.77 0.52 0.00 0.00 4.07 -0.78 -3.38 115.31 116.50 1u00 h LEU 608 Ca 0.20 -0.91 0.00 0.00 0.08 0.00 0.00 57.88 57.26 1u00 h LEU 608 Cb -0.01 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.56 1u00 h LEU 608 CO -0.04 1.72 -1.50 0.29 -1.08 0.00 0.00 178.44 177.83 1u00 n LYS 609 N -3.74 0.79 0.00 1.13 4.76 0.70 -5.07 118.16 116.74 1u00 n LYS 609 Ca -0.25 -0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.08 1u00 n LYS 609 Cb 1.00 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.85 1u00 n LYS 609 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1u00 n GLY 610 N 1.57 1.75 3.94 0.72 0.00 -0.65 -5.01 105.19 107.51 1u00 n GLY 610 Ca -0.02 -2.01 -0.24 0.00 0.00 0.00 0.00 46.02 43.75 1u00 n GLY 610 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u00 s HIS 611 N -2.18 3.24 -0.05 1.61 3.76 -1.25 -4.39 115.29 116.03 1u00 s HIS 611 Ca 0.00 0.33 0.02 0.00 -0.15 0.00 0.00 55.06 55.26 1u00 s HIS 611 Cb 0.00 -2.40 0.02 0.00 1.11 0.00 0.00 32.58 31.30 1u00 s HIS 611 CO 0.00 -0.46 -0.08 0.45 -0.85 0.00 0.00 174.74 173.80 1u00 s SER 612 N -4.23 1.27 0.61 1.40 0.15 -1.26 -5.01 113.70 106.62 1u00 s SER 612 Ca 0.49 -0.20 0.33 0.00 0.70 0.00 0.00 55.95 57.27 1u00 s SER 612 Cb -0.10 -0.56 1.91 0.00 -1.71 0.00 0.00 66.02 65.57 1u00 s SER 612 CO 0.40 -0.00 2.24 1.62 1.20 0.00 0.00 173.24 178.69 1u00 h VAL 613 N 5.95 0.38 0.00 4.45 3.04 -2.07 -3.19 116.25 124.81 1u00 h VAL 613 Ca -0.35 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 1u00 h VAL 613 Cb 1.17 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 1u00 h VAL 613 CO 0.48 0.00 0.00 -0.90 -1.01 0.00 0.00 177.57 176.14 1u00 n ASP 614 N -3.64 0.00 0.00 3.17 5.68 -1.26 -5.39 116.55 115.11 1u00 n ASP 614 Ca -0.02 0.35 0.00 0.00 -0.50 0.00 0.00 54.79 54.62 1u00 n ASP 614 Cb 0.14 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 1u00 n ASP 614 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08