#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bud n SER 364 N 0.00 0.00 -3.45 1.61 2.88 -1.26 -4.92 113.62 108.48 2bud n SER 364 Ca 0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 2bud n SER 364 Cb 0.00 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.52 2bud n SER 364 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2bud n HIS 365 N 14.00 -2.21 -1.68 0.66 -0.00 -1.26 -4.84 115.22 119.89 2bud n HIS 365 Ca 0.00 0.73 -0.47 0.00 0.46 0.00 0.00 57.72 58.44 2bud n HIS 365 Cb 0.00 -3.98 -0.04 0.00 -0.12 0.00 0.00 29.99 25.85 2bud n HIS 365 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2bud n MET 366 N -3.70 2.22 -2.18 1.57 3.85 -1.26 -4.28 117.12 113.33 2bud n MET 366 Ca -0.11 0.81 0.00 0.00 -1.00 0.00 0.00 57.70 57.39 2bud n MET 366 Cb 0.62 -2.62 0.00 0.00 -1.05 0.00 0.00 33.22 30.17 2bud n MET 366 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2bud n ASP 367 N 5.00 -7.18 -1.25 3.17 9.92 -1.26 -4.05 116.55 120.90 2bud n ASP 367 Ca 0.19 1.56 0.00 0.00 -0.53 0.00 0.00 54.79 56.02 2bud n ASP 367 Cb 0.30 -4.33 0.00 0.00 -0.64 0.00 0.00 41.12 36.45 2bud n ASP 367 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2bud n PRO 368 N 1.89 0.78 0.00 -0.24 -0.04 -1.26 -3.42 135.00 132.71 2bud n PRO 368 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2bud n PRO 368 Cb 0.00 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 2bud n PRO 368 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2bud n LEU 369 N 1.02 0.00 -1.23 1.53 7.94 -1.26 -4.94 117.00 120.05 2bud n LEU 369 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 2bud n LEU 369 Cb 0.39 0.02 0.02 0.00 0.53 0.00 0.00 43.42 44.39 2bud n LEU 369 CO 0.00 -0.02 0.67 0.80 -1.11 0.00 0.00 177.39 177.73 2bud n MET 370 N -1.79 1.18 -1.98 1.96 1.56 -1.25 -4.89 117.12 111.91 2bud n MET 370 Ca 0.00 -0.41 -0.31 0.00 -0.27 0.00 0.00 57.70 56.70 2bud n MET 370 Cb 0.00 -1.16 0.00 0.00 2.15 0.00 0.00 33.22 34.21 2bud n MET 370 CO 0.00 0.00 0.00 1.14 -0.73 0.00 0.00 175.97 176.38 2bud s GLN 371 N -0.46 3.63 0.43 2.12 -2.07 -1.22 -4.84 119.66 117.26 2bud s GLN 371 Ca 0.08 0.82 -0.22 0.00 -1.82 0.00 0.00 55.36 54.22 2bud s GLN 371 Cb 0.07 -2.09 -0.13 0.00 -1.09 0.00 0.00 33.01 29.77 2bud s GLN 371 CO 0.01 -0.54 0.51 0.36 -1.32 0.00 0.00 175.29 174.32 2bud n LYS 372 N -2.48 0.53 -1.62 9.60 2.85 -1.26 -4.81 118.16 120.97 2bud n LYS 372 Ca 0.06 0.20 -0.47 0.00 -1.05 0.00 0.00 58.31 57.05 2bud n LYS 372 Cb 0.54 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 33.40 2bud n LYS 372 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2bud n ILE 373 N -0.92 1.03 -2.96 0.58 5.41 -1.26 -4.91 119.36 116.33 2bud n ILE 373 Ca 0.11 -0.26 -0.43 0.00 1.00 0.00 0.00 62.75 63.18 2bud n ILE 373 Cb 0.40 -1.11 -0.05 0.00 -0.71 0.00 0.00 39.64 38.17 2bud n ILE 373 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2bud s ASP 374 N 0.05 6.43 0.13 4.38 1.01 -1.26 -4.91 116.67 122.50 2bud s ASP 374 Ca 0.70 -0.06 -0.02 0.00 0.71 0.00 0.00 52.55 53.88 2bud s ASP 374 Cb -0.76 -2.39 -0.09 0.00 1.01 0.00 0.00 42.92 40.69 2bud s ASP 374 CO 0.52 -0.90 1.31 0.40 0.21 0.00 0.00 175.17 176.70 2bud h ILE 375 N 5.96 1.44 0.00 0.77 2.04 -1.92 -3.38 117.51 122.42 2bud h ILE 375 Ca -0.25 -2.58 -0.48 0.00 1.00 0.00 0.00 64.86 62.55 2bud h ILE 375 Cb 1.09 2.50 0.03 0.00 -0.74 0.00 0.00 36.82 39.70 2bud h ILE 375 CO 0.96 0.76 2.37 -1.54 0.00 0.00 0.00 178.15 180.70 2bud n SER 376 N -3.69 3.57 0.00 1.72 3.41 -1.26 -1.90 113.62 115.47 2bud n SER 376 Ca -0.06 -2.46 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 2bud n SER 376 Cb 0.85 -1.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 2bud n SER 376 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2bud n GLU 377 N 5.52 0.00 -2.97 4.33 0.28 -1.26 -5.02 120.64 121.51 2bud n GLU 377 Ca 0.44 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 57.31 2bud n GLU 377 Cb 0.25 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.14 2bud n GLU 377 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2bud n ASN 378 N -0.09 -0.69 -0.34 -1.84 5.03 -0.80 -4.98 115.26 111.55 2bud n ASN 378 Ca 0.00 -3.33 0.04 0.00 0.87 0.00 0.00 54.58 52.16 2bud n ASN 378 Cb 0.00 0.59 0.19 0.00 -1.02 0.00 0.00 39.78 39.54 2bud n ASN 378 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 2bud h PRO 379 N 3.03 0.95 -0.00 3.52 0.11 -1.90 -1.65 132.00 136.06 2bud h PRO 379 Ca 0.00 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.96 2bud h PRO 379 Cb 1.03 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 2bud h PRO 379 CO 0.33 0.63 -0.47 -0.44 -0.21 0.00 0.00 178.00 177.83 2bud h ASP 380 N 0.98 0.01 -1.41 -2.05 3.32 -1.92 -3.45 116.42 111.89 2bud h ASP 380 Ca 0.44 -0.00 -0.72 0.00 0.02 0.00 0.00 57.03 56.76 2bud h ASP 380 Cb 0.34 -0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.94 2bud h ASP 380 CO -0.23 0.47 0.30 1.17 -1.72 0.00 0.00 179.24 179.23 2bud n LYS 381 N -3.98 0.69 -3.37 3.56 4.81 -0.62 -4.92 118.16 114.32 2bud n LYS 381 Ca -0.02 0.25 -0.38 0.00 -0.87 0.00 0.00 58.31 57.29 2bud n LYS 381 Cb 0.49 -1.83 -0.06 0.00 0.02 0.00 0.00 35.03 33.65 2bud n LYS 381 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2bud s ILE 382 N 0.29 5.06 0.03 3.15 -1.09 -1.26 -4.58 121.20 122.79 2bud s ILE 382 Ca 0.87 0.95 0.09 0.00 -2.23 0.00 0.00 60.65 60.33 2bud s ILE 382 Cb -1.08 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 35.98 2bud s ILE 382 CO 0.51 0.45 -0.26 -0.31 -1.23 0.00 0.00 174.94 174.10 2bud s TYR 383 N -0.24 2.33 -0.04 3.97 1.51 -1.03 -4.86 117.35 118.98 2bud s TYR 383 Ca 0.26 -0.42 -0.16 0.00 -1.01 0.00 0.00 57.07 55.73 2bud s TYR 383 Cb -0.16 -1.42 -0.05 0.00 -0.11 0.00 0.00 41.96 40.21 2bud s TYR 383 CO 0.13 0.08 0.44 -0.06 -1.11 0.00 0.00 175.55 175.02 2bud s PHE 384 N -0.75 3.65 -0.09 2.71 0.40 -0.85 0.44 117.98 123.49 2bud s PHE 384 Ca 0.11 0.96 0.02 0.00 -0.60 0.00 0.00 56.93 57.43 2bud s PHE 384 Cb -0.10 -2.40 0.01 0.00 0.51 0.00 0.00 43.02 41.05 2bud s PHE 384 CO 0.01 0.46 -0.16 0.42 0.70 0.00 0.00 175.22 176.66 2bud s ILE 385 N -0.44 1.46 -0.22 0.64 1.09 0.31 -1.04 121.20 123.00 2bud s ILE 385 Ca 0.24 -0.65 -0.27 0.00 -1.10 0.00 0.00 60.65 58.87 2bud s ILE 385 Cb -0.16 -1.32 0.00 0.00 -1.06 0.00 0.00 42.46 39.92 2bud s ILE 385 CO 0.12 0.43 0.96 -0.60 -0.10 0.00 0.00 174.94 175.75 2bud s ARG 386 N 0.71 4.25 0.84 2.79 3.52 -0.97 -1.56 118.95 128.54 2bud s ARG 386 Ca -0.13 1.21 -0.12 0.00 -0.13 0.00 0.00 55.73 56.57 2bud s ARG 386 Cb -0.16 -3.63 0.10 0.00 -1.56 0.00 0.00 34.95 29.70 2bud s ARG 386 CO 0.03 -0.55 1.11 1.03 -0.81 0.00 0.00 175.30 176.11 2bud s ARG 387 N 2.93 1.70 0.25 5.12 0.52 -1.09 -4.87 118.95 123.53 2bud s ARG 387 Ca 0.41 0.53 -0.03 0.00 -0.52 0.00 0.00 55.73 56.12 2bud s ARG 387 Cb -0.15 -1.88 0.52 0.00 0.52 0.00 0.00 34.95 33.95 2bud s ARG 387 CO 0.08 -1.86 1.70 0.93 0.02 0.00 0.00 175.30 176.17 2bud h GLU 388 N -1.26 0.34 -0.33 3.54 3.07 -1.96 0.83 114.58 118.81 2bud h GLU 388 Ca -0.48 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.28 2bud h GLU 388 Cb 1.29 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 29.11 2bud h GLU 388 CO 0.60 0.23 -0.11 0.38 -1.40 0.00 0.00 179.01 178.70 2bud h ASP 389 N 0.35 0.55 0.00 1.42 2.03 -2.03 -3.47 116.42 115.27 2bud h ASP 389 Ca 0.45 -0.15 0.00 0.00 -0.73 0.00 0.00 57.03 56.60 2bud h ASP 389 Cb 0.76 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 39.11 2bud h ASP 389 CO -0.48 0.70 0.00 0.61 -1.03 0.00 0.00 179.24 179.04 2bud n GLY 390 N -0.60 1.02 3.62 7.15 0.00 0.28 -5.09 105.19 111.57 2bud n GLY 390 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2bud n GLY 390 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bud n THR 391 N 0.00 0.49 -2.40 2.61 -2.24 -1.26 -4.30 114.28 107.17 2bud n THR 391 Ca 0.00 -0.34 -0.39 0.00 -2.27 0.00 0.00 64.05 61.05 2bud n THR 391 Cb 0.00 -2.44 -0.03 0.00 -2.10 0.00 0.00 70.33 65.76 2bud n THR 391 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2bud s VAL 392 N 6.92 3.37 -0.04 2.28 1.01 -1.14 -2.65 120.40 130.14 2bud s VAL 392 Ca 0.97 1.20 -0.09 0.00 0.00 0.00 0.00 61.98 64.06 2bud s VAL 392 Cb -0.40 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.30 2bud s VAL 392 CO 0.38 0.16 0.22 -1.00 0.00 0.00 0.00 175.10 174.86 2bud s HIS 393 N -1.38 -0.15 0.41 5.22 3.76 -0.60 -2.92 115.29 119.63 2bud s HIS 393 Ca 0.53 0.32 -0.24 0.00 -0.15 0.00 0.00 55.06 55.52 2bud s HIS 393 Cb -0.29 0.05 -0.09 0.00 1.11 0.00 0.00 32.58 33.36 2bud s HIS 393 CO 0.37 -0.23 1.07 1.03 -0.85 0.00 0.00 174.74 176.14 2bud s ARG 394 N -0.64 4.09 -0.11 1.40 0.52 -1.26 -0.53 118.95 122.42 2bud s ARG 394 Ca -0.07 1.57 -0.05 0.00 -0.52 0.00 0.00 55.73 56.66 2bud s ARG 394 Cb -0.04 -2.53 0.05 0.00 0.52 0.00 0.00 34.95 32.95 2bud s ARG 394 CO 0.01 -0.22 0.25 0.20 0.02 0.00 0.00 175.30 175.56 2bud s GLY 395 N -1.50 -0.12 -1.17 -3.53 0.00 0.17 -1.18 107.32 99.99 2bud s GLY 395 Ca 0.59 0.94 -0.19 0.00 0.00 0.00 0.00 44.72 46.05 2bud s GLY 395 CO 0.29 1.59 1.56 1.20 0.00 0.00 0.00 173.10 177.74 2bud s GLN 396 N 1.83 3.84 0.24 2.90 -0.21 0.72 -2.47 119.66 126.51 2bud s GLN 396 Ca -0.04 -1.76 -0.31 0.00 0.02 0.00 0.00 55.36 53.27 2bud s GLN 396 Cb -0.11 -5.38 -0.12 0.00 1.00 0.00 0.00 33.01 28.40 2bud s GLN 396 CO -0.08 -2.15 1.64 1.55 -2.12 0.00 0.00 175.29 174.13 2bud n VAL 397 N 6.29 0.46 0.00 1.09 3.14 -1.26 -3.12 118.33 124.93 2bud n VAL 397 Ca 0.40 -0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.67 2bud n VAL 397 Cb 0.48 -1.90 0.00 0.00 -1.06 0.00 0.00 33.84 31.36 2bud n VAL 397 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2bud n LEU 398 N 3.09 2.56 -4.63 6.55 4.77 -0.58 -4.90 117.00 123.86 2bud n LEU 398 Ca 0.13 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.83 2bud n LEU 398 Cb 0.35 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.33 2bud n LEU 398 CO 0.64 0.43 -0.28 -1.10 -1.33 0.00 0.00 177.39 175.74 2bud s GLN 399 N -1.97 1.98 -0.10 3.23 -1.52 -1.24 -4.94 119.66 115.10 2bud s GLN 399 Ca 0.00 -2.12 -0.30 0.00 -1.95 0.00 0.00 55.36 50.99 2bud s GLN 399 Cb 0.00 -1.64 0.11 0.00 -0.22 0.00 0.00 33.01 31.25 2bud s GLN 399 CO 0.00 -0.07 0.88 -1.54 -0.25 0.00 0.00 175.29 174.31 2bud s SER 400 N -3.73 -0.46 -0.28 5.90 1.04 -1.26 0.17 113.70 115.08 2bud s SER 400 Ca 0.33 0.45 -0.23 0.00 0.48 0.00 0.00 55.95 56.99 2bud s SER 400 Cb 0.09 0.39 0.09 0.00 0.10 0.00 0.00 66.02 66.69 2bud s SER 400 CO 0.17 -0.47 0.80 0.00 0.98 0.00 0.00 173.24 174.72 2bud s ARG 401 N -1.39 0.71 0.04 4.02 1.70 0.12 -4.95 118.95 119.20 2bud s ARG 401 Ca -0.04 0.94 -0.23 0.00 -0.47 0.00 0.00 55.73 55.93 2bud s ARG 401 Cb -0.00 0.30 -0.06 0.00 -0.57 0.00 0.00 34.95 34.62 2bud s ARG 401 CO 0.03 -0.10 0.70 0.95 -1.08 0.00 0.00 175.30 175.80 2bud s THR 402 N 0.65 4.75 0.70 4.99 -4.23 -1.26 -0.74 115.64 120.51 2bud s THR 402 Ca -0.02 1.48 -0.12 0.00 -1.18 0.00 0.00 61.69 61.86 2bud s THR 402 Cb -0.05 -4.04 0.18 0.00 1.34 0.00 0.00 72.50 69.93 2bud s THR 402 CO -0.06 0.41 0.42 0.41 -0.54 0.00 0.00 174.62 175.26 2bud n THR 403 N 2.58 0.00 -0.30 3.99 -1.04 -1.21 -4.66 114.28 113.64 2bud n THR 403 Ca -0.05 -0.01 0.09 0.00 -2.04 0.00 0.00 64.05 62.05 2bud n THR 403 Cb 0.50 -0.49 0.25 0.00 -1.82 0.00 0.00 70.33 68.78 2bud n THR 403 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2bud h GLU 404 N 0.00 0.52 -0.26 -2.82 4.39 -1.97 -1.42 114.58 113.02 2bud h GLU 404 Ca -0.19 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.52 2bud h GLU 404 Cb 0.63 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 2bud h GLU 404 CO 0.11 0.35 0.04 -0.97 -1.16 0.00 0.00 179.01 177.38 2bud h ASN 405 N 0.54 -0.02 -6.10 1.42 -1.24 -1.96 -3.46 115.58 104.75 2bud h ASN 405 Ca 0.50 0.05 -0.42 0.00 0.71 0.00 0.00 56.30 57.14 2bud h ASN 405 Cb 0.80 0.07 0.06 0.00 0.73 0.00 0.00 38.32 39.98 2bud h ASN 405 CO -0.42 0.02 -0.85 0.00 -1.29 0.00 0.00 177.43 174.88 2bud n ALA 406 N -2.35 -2.13 -1.68 1.57 0.00 -0.54 -4.84 120.51 110.54 2bud n ALA 406 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2bud n ALA 406 Cb 0.12 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.09 2bud n ALA 406 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bud n ALA 407 N -4.20 1.02 0.00 0.00 0.00 -1.26 -4.81 120.51 111.27 2bud n ALA 407 Ca -0.26 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2bud n ALA 407 Cb 0.66 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 2bud n ALA 407 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bud n ALA 408 N 0.00 0.00 -1.77 0.00 0.00 -1.26 -5.04 120.51 112.44 2bud n ALA 408 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 2bud n ALA 408 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.96 2bud n ALA 408 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2bud s PRO 409 N 0.00 3.86 -0.29 0.00 0.02 -1.26 -5.00 135.00 132.32 2bud s PRO 409 Ca 0.00 2.48 -0.16 0.00 0.02 0.00 0.00 61.00 63.34 2bud s PRO 409 Cb 0.00 -2.79 0.17 0.00 0.02 0.00 0.00 34.50 31.91 2bud s PRO 409 CO 0.00 -0.70 1.09 0.16 -0.33 0.00 0.00 177.00 177.22 2bud s ASP 410 N -0.36 -0.34 -0.06 2.53 1.47 -1.26 -3.35 116.67 115.30 2bud s ASP 410 Ca 0.58 0.52 0.06 0.00 1.18 0.00 0.00 52.55 54.89 2bud s ASP 410 Cb -0.45 1.20 -0.01 0.00 -0.34 0.00 0.00 42.92 43.33 2bud s ASP 410 CO 0.59 -0.08 -0.24 -1.61 0.68 0.00 0.00 175.17 174.51 2bud s GLU 411 N 1.47 2.56 -0.20 2.11 8.01 0.09 -3.83 118.70 128.90 2bud s GLU 411 Ca -0.07 -0.88 -0.04 0.00 0.01 0.00 0.00 54.97 53.98 2bud s GLU 411 Cb -0.03 -2.14 -0.02 0.00 -4.31 0.00 0.00 34.13 27.63 2bud s GLU 411 CO -0.14 0.34 -0.02 0.71 0.01 0.00 0.00 175.26 176.16 2bud s TYR 412 N -0.08 2.99 -0.03 1.61 1.51 -0.55 -0.70 117.35 122.10 2bud s TYR 412 Ca -0.06 -0.63 -0.30 0.00 -1.01 0.00 0.00 57.07 55.08 2bud s TYR 412 Cb -0.14 -2.08 -0.07 0.00 -0.11 0.00 0.00 41.96 39.56 2bud s TYR 412 CO 0.04 -0.34 1.81 -0.47 -1.11 0.00 0.00 175.55 175.49 2bud s TYR 413 N 1.12 1.64 -0.09 2.71 5.04 0.13 -1.42 117.35 126.47 2bud s TYR 413 Ca 0.02 -0.06 0.01 0.00 -2.44 0.00 0.00 57.07 54.59 2bud s TYR 413 Cb -0.15 -4.07 -0.02 0.00 0.35 0.00 0.00 41.96 38.08 2bud s TYR 413 CO 0.01 -4.58 -0.10 0.08 -1.34 0.00 0.00 175.55 169.62 2bud s VAL 414 N 4.47 3.36 -0.67 3.14 1.01 -1.03 -1.52 120.40 129.16 2bud s VAL 414 Ca 0.81 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 62.17 2bud s VAL 414 Cb -0.37 -2.38 0.17 0.00 0.00 0.00 0.00 36.38 33.80 2bud s VAL 414 CO 0.35 0.56 0.50 -2.28 0.00 0.00 0.00 175.10 174.23 2bud s HIS 415 N -0.30 3.47 -0.58 5.22 2.46 -1.18 -2.09 115.29 122.29 2bud s HIS 415 Ca 0.03 -2.68 -0.30 0.00 0.47 0.00 0.00 55.06 52.58 2bud s HIS 415 Cb -0.13 -3.26 -0.12 0.00 -0.13 0.00 0.00 32.58 28.94 2bud s HIS 415 CO 0.03 -0.84 2.42 0.66 -2.47 0.00 0.00 174.74 174.54 2bud n TYR 416 N 3.41 1.27 -1.88 3.88 4.02 -1.26 -0.20 117.16 126.39 2bud n TYR 416 Ca 0.10 0.22 -0.41 0.00 -0.01 0.00 0.00 57.90 57.80 2bud n TYR 416 Cb 0.39 -2.54 -0.02 0.00 -0.02 0.00 0.00 39.34 37.15 2bud n TYR 416 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2bud s VAL 417 N 9.89 2.29 0.00 -0.72 0.11 -0.32 -2.64 120.40 129.00 2bud s VAL 417 Ca 1.11 0.25 0.00 0.00 -2.93 0.00 0.00 61.98 60.42 2bud s VAL 417 Cb -0.66 -3.16 0.00 0.00 -1.53 0.00 0.00 36.38 31.03 2bud s VAL 417 CO 0.39 0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.81 2bud n GLY 418 N 1.73 1.43 3.73 6.54 0.00 -1.26 -4.70 105.19 112.65 2bud n GLY 418 Ca 0.06 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 2bud n GLY 418 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bud s LEU 419 N 0.00 2.97 0.35 0.99 2.01 -1.08 -4.93 118.68 118.99 2bud s LEU 419 Ca 0.00 1.99 -0.26 0.00 0.01 0.00 0.00 54.13 55.87 2bud s LEU 419 Cb 0.00 -4.54 -0.12 0.00 0.01 0.00 0.00 46.19 41.53 2bud s LEU 419 CO 0.00 -2.49 1.03 -0.46 1.01 0.00 0.00 176.35 175.44 2bud n ASN 420 N -3.79 1.38 0.07 2.29 0.23 -1.26 -4.84 115.26 109.34 2bud n ASN 420 Ca 0.10 1.12 0.04 0.00 -0.53 0.00 0.00 54.58 55.31 2bud n ASN 420 Cb 0.53 -1.33 0.46 0.00 -2.08 0.00 0.00 39.78 37.36 2bud n ASN 420 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 2bud h ARG 421 N 1.84 0.40 -0.35 -3.83 0.11 -1.91 -1.96 114.38 108.68 2bud h ARG 421 Ca -0.42 -0.03 0.10 0.00 0.10 0.00 0.00 59.98 59.73 2bud h ARG 421 Cb 1.33 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 32.31 2bud h ARG 421 CO 0.59 0.29 0.26 0.07 0.10 0.00 0.00 179.97 181.28 2bud h ARG 422 N 0.41 0.00 -0.13 0.08 0.11 -1.98 -0.35 114.38 112.53 2bud h ARG 422 Ca 0.11 0.00 0.04 0.00 0.10 0.00 0.00 59.98 60.22 2bud h ARG 422 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.08 2bud h ARG 422 CO -0.02 0.00 0.12 1.25 0.10 0.00 0.00 179.97 181.42 2bud h LEU 423 N 0.00 0.00 -9.19 0.08 5.85 -1.70 -3.44 115.31 106.91 2bud h LEU 423 Ca 0.16 0.00 -0.68 0.00 0.84 0.00 0.00 57.88 58.20 2bud h LEU 423 Cb 0.67 0.00 0.08 0.00 0.37 0.00 0.00 40.66 41.79 2bud h LEU 423 CO -0.00 0.00 0.03 0.47 -0.34 0.00 0.00 178.44 178.60 2bud n ASP 424 N -4.00 0.45 -3.64 1.25 8.00 -0.14 -4.84 116.55 113.62 2bud n ASP 424 Ca 0.00 1.15 -0.02 0.00 0.71 0.00 0.00 54.79 56.62 2bud n ASP 424 Cb 0.24 -1.10 -0.05 0.00 -0.02 0.00 0.00 41.12 40.19 2bud n ASP 424 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2bud s GLY 425 N -0.27 0.20 -0.04 0.44 0.00 -0.89 -4.98 107.32 101.79 2bud s GLY 425 Ca 0.74 3.12 -0.30 0.00 0.00 0.00 0.00 44.72 48.28 2bud s GLY 425 CO 0.55 1.45 1.60 -0.98 0.00 0.00 0.00 173.10 175.72 2bud s TRP 426 N -0.60 2.18 0.12 1.90 0.52 -1.26 -2.45 118.94 119.35 2bud s TRP 426 Ca 0.08 0.32 0.10 0.00 0.02 0.00 0.00 56.10 56.63 2bud s TRP 426 Cb -0.03 -3.87 -0.04 0.00 -1.15 0.00 0.00 33.47 28.38 2bud s TRP 426 CO -0.11 -3.59 -0.24 0.14 0.02 0.00 0.00 176.95 173.17 2bud s VAL 427 N 3.63 2.44 0.54 4.03 -7.23 -0.51 -4.83 120.40 118.47 2bud s VAL 427 Ca 0.71 -1.65 -0.21 0.00 -1.81 0.00 0.00 61.98 59.02 2bud s VAL 427 Cb -0.33 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.47 2bud s VAL 427 CO 0.29 0.11 1.29 -0.83 -0.31 0.00 0.00 175.10 175.65 2bud s GLY 428 N -2.03 2.85 0.54 2.32 0.00 -1.26 -1.48 107.32 108.25 2bud s GLY 428 Ca 0.15 1.20 0.31 0.00 0.00 0.00 0.00 44.72 46.38 2bud s GLY 428 CO 0.07 1.68 1.90 -0.09 0.00 0.00 0.00 173.10 176.66 2bud h ARG 429 N 1.48 0.00 -0.19 2.90 9.65 -1.90 0.47 114.38 126.79 2bud h ARG 429 Ca -0.50 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.37 2bud h ARG 429 Cb 1.29 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.86 2bud h ARG 429 CO 0.57 0.00 0.11 1.12 2.80 0.00 0.00 179.97 184.57 2bud h HIS 430 N 0.00 0.25 0.02 2.20 2.07 -1.93 -1.96 115.15 115.79 2bud h HIS 430 Ca 0.40 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.71 2bud h HIS 430 Cb 1.63 -0.08 -0.02 0.00 2.57 0.00 0.00 27.41 31.51 2bud h HIS 430 CO 0.00 0.17 -0.99 0.00 -3.07 0.00 0.00 177.93 174.04 2bud h ARG 431 N 0.26 0.06 -5.89 5.12 3.08 -1.25 -3.45 114.38 112.31 2bud h ARG 431 Ca 0.07 -0.08 -0.57 0.00 0.07 0.00 0.00 59.98 59.47 2bud h ARG 431 Cb 0.00 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.02 2bud h ARG 431 CO -0.01 1.00 -0.02 0.42 -1.07 0.00 0.00 179.97 180.29 2bud s ILE 432 N -2.82 5.11 -0.28 2.04 1.01 -0.74 -2.29 121.20 123.24 2bud s ILE 432 Ca -0.00 1.22 -0.25 0.00 0.00 0.00 0.00 60.65 61.61 2bud s ILE 432 Cb 0.10 -3.94 0.13 0.00 0.01 0.00 0.00 42.46 38.76 2bud s ILE 432 CO 0.82 0.28 1.07 -0.44 0.00 0.00 0.00 174.94 176.68 2bud s SER 433 N 0.72 -0.41 0.00 3.58 0.01 -0.21 -4.89 113.70 112.51 2bud s SER 433 Ca 0.32 0.79 0.00 0.00 1.31 0.00 0.00 55.95 58.37 2bud s SER 433 Cb -0.16 0.80 0.00 0.00 0.21 0.00 0.00 66.02 66.86 2bud s SER 433 CO 0.14 -0.14 0.55 -0.90 0.41 0.00 0.00 173.24 173.30 2bud n ASP 434 N 2.14 0.49 -3.80 2.44 5.75 -1.26 -2.01 116.55 120.31 2bud n ASP 434 Ca -0.12 -1.58 -0.15 0.00 -0.01 0.00 0.00 54.79 52.93 2bud n ASP 434 Cb 0.56 -0.25 -0.16 0.00 -1.03 0.00 0.00 41.12 40.25 2bud n ASP 434 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2bud s ASN 435 N -0.59 0.14 0.17 -1.12 2.47 -1.26 -4.94 114.94 109.81 2bud s ASN 435 Ca 0.00 0.02 -0.05 0.00 0.42 0.00 0.00 52.86 53.24 2bud s ASN 435 Cb 0.00 -0.09 0.04 0.00 -1.45 0.00 0.00 41.25 39.75 2bud s ASN 435 CO 0.00 -0.10 1.46 0.00 -3.72 0.00 0.00 177.10 174.73 2bud h ALA 436 N 7.12 0.60 -0.96 1.71 0.00 -1.97 -3.25 119.26 122.52 2bud h ALA 436 Ca -0.42 -0.53 0.16 0.00 0.00 0.00 0.00 54.91 54.11 2bud h ALA 436 Cb 1.13 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 2bud h ALA 436 CO 0.48 0.70 0.57 -0.44 0.00 0.00 0.00 179.25 180.56 2bud h ASP 437 N 0.47 0.76 0.32 0.00 3.32 -1.96 0.24 116.42 119.57 2bud h ASP 437 Ca -0.00 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 2bud h ASP 437 Cb 1.16 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 2bud h ASP 437 CO 0.12 0.33 -0.10 0.44 -1.72 0.00 0.00 179.24 178.31 2bud h ASP 438 N 0.80 0.00 0.00 6.45 3.32 -1.98 -3.38 116.42 121.63 2bud h ASP 438 Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 2bud h ASP 438 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 2bud h ASP 438 CO -0.34 0.10 0.00 0.18 -1.72 0.00 0.00 179.24 177.45 2bud n LEU 439 N -3.64 0.35 -2.65 1.55 4.32 0.75 -5.06 117.00 112.63 2bud n LEU 439 Ca -0.02 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 55.94 2bud n LEU 439 Cb 0.21 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.00 2bud n LEU 439 CO 0.29 0.00 0.68 0.61 -1.22 0.00 0.00 177.39 177.75 2bud n GLY 440 N 2.77 -1.20 0.99 -0.72 0.00 -0.57 -5.04 105.19 101.42 2bud n GLY 440 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2bud n GLY 440 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bud n GLY 441 N -0.32 -3.86 3.55 -0.02 0.00 -1.19 -4.48 105.19 98.88 2bud n GLY 441 Ca -0.27 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 2bud n GLY 441 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bud s ILE 442 N -3.69 3.23 -1.25 -0.61 -1.09 -1.26 -2.88 121.20 113.65 2bud s ILE 442 Ca 0.00 -0.04 -0.10 0.00 -2.23 0.00 0.00 60.65 58.28 2bud s ILE 442 Cb 0.00 -3.56 0.01 0.00 -1.58 0.00 0.00 42.46 37.34 2bud s ILE 442 CO 0.00 -0.53 0.19 1.07 -1.23 0.00 0.00 174.94 174.44 2bud n THR 443 N 7.89 -1.32 -3.73 2.92 5.66 -1.15 -4.84 114.28 119.71 2bud n THR 443 Ca 0.35 -0.46 -0.12 0.00 -3.05 0.00 0.00 64.05 60.77 2bud n THR 443 Cb 0.50 -1.21 -0.12 0.00 -1.55 0.00 0.00 70.33 67.94 2bud n THR 443 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2bud s VAL 444 N -4.05 -0.03 -0.17 1.08 0.11 -1.25 -4.94 120.40 111.16 2bud s VAL 444 Ca 0.14 0.10 -0.10 0.00 -2.93 0.00 0.00 61.98 59.19 2bud s VAL 444 Cb -0.08 -0.44 0.06 0.00 -1.53 0.00 0.00 36.38 34.38 2bud s VAL 444 CO 0.86 0.04 0.41 -0.76 -3.33 0.00 0.00 175.10 172.33 2bud s LEU 445 N 1.07 -0.02 0.00 2.54 1.43 -1.26 -4.58 118.68 117.86 2bud s LEU 445 Ca -0.07 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 2bud s LEU 445 Cb -0.08 1.37 0.00 0.00 0.03 0.00 0.00 46.19 47.51 2bud s LEU 445 CO -0.08 -0.19 0.00 -2.65 0.23 0.00 0.00 176.35 173.67 2bud n PRO 446 N 4.03 1.70 -2.54 1.29 -0.02 -1.26 -4.95 135.00 133.25 2bud n PRO 446 Ca -0.22 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.86 2bud n PRO 446 Cb 0.56 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.99 2bud n PRO 446 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bud s ALA 447 N -2.48 3.37 0.36 3.55 0.00 -1.26 -5.01 121.76 120.29 2bud s ALA 447 Ca 0.00 0.80 -0.28 0.00 0.00 0.00 0.00 51.96 52.48 2bud s ALA 447 Cb 0.00 -3.32 -0.10 0.00 0.00 0.00 0.00 23.12 19.69 2bud s ALA 447 CO 0.00 -0.13 1.39 -2.14 0.00 0.00 0.00 175.76 174.88 2bud s PRO 448 N -0.79 4.19 0.20 0.00 0.02 -1.26 -4.94 135.00 132.42 2bud s PRO 448 Ca 0.47 2.37 -0.31 0.00 0.02 0.00 0.00 61.00 63.54 2bud s PRO 448 Cb -0.29 -2.99 -0.11 0.00 0.02 0.00 0.00 34.50 31.13 2bud s PRO 448 CO 0.36 -0.38 1.60 -1.25 -0.33 0.00 0.00 177.00 177.00 2bud s PRO 449 N -1.98 4.18 0.14 5.54 0.04 -1.26 -4.94 135.00 136.71 2bud s PRO 449 Ca 0.52 2.46 -0.31 0.00 0.04 0.00 0.00 61.00 63.70 2bud s PRO 449 Cb -0.43 -3.11 -0.09 0.00 0.04 0.00 0.00 34.50 30.91 2bud s PRO 449 CO 0.57 -0.63 1.50 -0.51 0.04 0.00 0.00 177.00 177.96 2bud s LEU 450 N 0.80 4.37 -0.30 -3.56 1.43 -1.26 -4.99 118.68 115.18 2bud s LEU 450 Ca 0.70 2.49 -0.17 0.00 -1.03 0.00 0.00 54.13 56.11 2bud s LEU 450 Cb -0.46 -3.59 0.19 0.00 0.03 0.00 0.00 46.19 42.36 2bud s LEU 450 CO 0.35 -0.76 1.18 0.00 0.23 0.00 0.00 176.35 177.35 2bud s ALA 451 N 1.22 -2.51 0.39 4.21 0.00 -1.26 -5.16 121.76 118.65 2bud s ALA 451 Ca 0.68 2.03 -0.26 0.00 0.00 0.00 0.00 51.96 54.41 2bud s ALA 451 Cb -0.41 -1.88 -0.09 0.00 0.00 0.00 0.00 23.12 20.75 2bud s ALA 451 CO 0.31 -0.31 1.18 -2.14 0.00 0.00 0.00 175.76 174.80 2bud s PRO 452 N 1.05 4.12 -1.22 0.00 0.02 -1.26 -3.63 135.00 134.08 2bud s PRO 452 Ca -0.07 1.88 -0.01 0.00 0.02 0.00 0.00 61.00 62.82 2bud s PRO 452 Cb -0.03 -2.75 0.00 0.00 0.02 0.00 0.00 34.50 31.75 2bud s PRO 452 CO -0.12 -0.28 1.01 -3.47 -0.33 0.00 0.00 177.00 173.81 2bud n ASP 453 N 0.21 -2.38 0.00 2.53 2.03 -1.26 -5.31 116.55 112.38 2bud n ASP 453 Ca 0.04 -0.62 0.00 0.00 0.52 0.00 0.00 54.79 54.73 2bud n ASP 453 Cb 0.46 -5.09 0.00 0.00 -0.72 0.00 0.00 41.12 35.77 2bud n ASP 453 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28