#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 -1.04 -0.09 1.61 3.41 -1.26 -5.00 113.62 111.25 2bud n SER 364 Ca 0.00 -1.70 0.02 0.00 -0.26 0.00 0.00 58.87 56.93 2bud n SER 364 Cb 0.00 0.72 0.34 0.00 -0.26 0.00 0.00 64.21 65.01 2bud n SER 364 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 2bud h HIS 365 N 0.99 0.71 -5.55 7.33 -0.00 -2.03 -3.47 115.15 113.13 2bud h HIS 365 Ca -0.38 0.01 -0.30 0.00 -0.00 0.00 0.00 60.37 59.70 2bud h HIS 365 Cb 1.20 -0.24 0.18 0.00 -0.00 0.00 0.00 27.41 28.55 2bud h HIS 365 CO -0.05 0.46 -0.80 -0.12 -0.00 0.00 0.00 177.93 177.43 2bud n MET 366 N -4.43 -4.97 -1.42 5.26 0.00 -1.26 -4.56 117.12 105.74 2bud n MET 366 Ca 0.05 0.85 0.00 0.00 0.00 0.00 0.00 57.70 58.60 2bud n MET 366 Cb 0.06 -5.83 0.00 0.00 0.00 0.00 0.00 33.22 27.45 2bud n MET 366 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2bud n ASP 367 N -3.15 -7.77 -3.48 6.12 -0.08 -1.26 -4.85 116.55 102.07 2bud n ASP 367 Ca -0.21 1.10 0.00 0.00 -1.51 0.00 0.00 54.79 54.18 2bud n ASP 367 Cb 0.65 -4.14 0.00 0.00 2.34 0.00 0.00 41.12 39.97 2bud n ASP 367 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2bud n PRO 368 N -0.84 1.67 -1.08 -0.67 -0.02 -1.26 -4.06 135.00 128.74 2bud n PRO 368 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2bud n PRO 368 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2bud n PRO 368 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2bud n LEU 369 N 0.00 0.00 -2.57 2.45 -0.00 -1.26 -4.39 117.00 111.24 2bud n LEU 369 Ca 0.00 0.06 -0.04 0.00 -0.00 0.00 0.00 56.01 56.03 2bud n LEU 369 Cb 0.00 -0.51 0.04 0.00 -0.00 0.00 0.00 43.42 42.96 2bud n LEU 369 CO 0.00 0.00 0.56 0.80 -0.00 0.00 0.00 177.39 178.75 2bud n MET 370 N -1.08 0.62 -1.68 1.47 0.00 -1.26 -5.13 117.12 110.06 2bud n MET 370 Ca 0.00 -1.06 -0.44 0.00 0.00 0.00 0.00 57.70 56.19 2bud n MET 370 Cb 0.06 0.02 -0.04 0.00 0.00 0.00 0.00 33.22 33.27 2bud n MET 370 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2bud n GLN 371 N -0.59 2.54 -2.19 2.12 6.02 -1.26 -4.92 117.38 119.10 2bud n GLN 371 Ca -0.16 0.92 -0.41 0.00 -0.01 0.00 0.00 57.00 57.35 2bud n GLN 371 Cb 0.72 -2.79 -0.03 0.00 1.02 0.00 0.00 30.24 29.17 2bud n GLN 371 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2bud s LYS 372 N 2.90 4.41 0.25 -1.09 1.02 -1.26 -4.94 119.74 121.03 2bud s LYS 372 Ca 0.85 2.13 -0.31 0.00 0.02 0.00 0.00 55.97 58.66 2bud s LYS 372 Cb -0.56 -3.10 -0.13 0.00 -0.52 0.00 0.00 37.83 33.52 2bud s LYS 372 CO 0.41 -0.11 1.47 -0.89 -0.92 0.00 0.00 175.35 175.31 2bud n ILE 373 N 0.92 0.94 -2.96 2.17 5.41 -1.26 -4.93 119.36 119.66 2bud n ILE 373 Ca -0.00 -0.24 -0.43 0.00 1.00 0.00 0.00 62.75 63.08 2bud n ILE 373 Cb 0.42 -1.62 -0.05 0.00 -0.71 0.00 0.00 39.64 37.68 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 0.37 6.43 0.12 4.38 1.01 -1.26 -4.93 116.67 122.80 2bud s ASP 374 Ca 0.67 -0.04 -0.15 0.00 0.71 0.00 0.00 52.55 53.75 2bud s ASP 374 Cb -0.60 -2.39 -0.03 0.00 1.01 0.00 0.00 42.92 40.90 2bud s ASP 374 CO 0.49 -0.90 1.54 0.40 0.21 0.00 0.00 175.17 176.91 2bud h ILE 375 N 5.96 1.27 0.00 0.77 2.04 -1.91 -3.33 117.51 122.30 2bud h ILE 375 Ca -0.25 -1.08 -0.48 0.00 1.00 0.00 0.00 64.86 64.05 2bud h ILE 375 Cb 1.09 1.21 0.03 0.00 -0.74 0.00 0.00 36.82 38.41 2bud h ILE 375 CO 0.96 0.36 2.33 -1.54 0.00 0.00 0.00 178.15 180.26 2bud n SER 376 N -4.42 3.40 0.00 1.72 3.41 -1.26 -2.64 113.62 113.82 2bud n SER 376 Ca -0.01 -2.47 0.00 0.00 -0.26 0.00 0.00 58.87 56.13 2bud n SER 376 Cb 0.32 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 2bud n SER 376 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2bud n GLU 377 N 5.64 0.63 -2.68 4.33 -0.58 -1.25 -5.00 120.64 121.72 2bud n GLU 377 Ca 0.44 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 57.13 2bud n GLU 377 Cb 0.25 -0.26 0.11 0.00 -0.57 0.00 0.00 31.44 30.97 2bud n GLU 377 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2bud n ASN 378 N -0.40 -1.54 -0.30 1.62 2.04 -1.08 -5.02 115.26 110.58 2bud n ASN 378 Ca 0.00 -2.34 0.17 0.00 -0.44 0.00 0.00 54.58 51.97 2bud n ASN 378 Cb 0.00 1.34 0.43 0.00 -2.53 0.00 0.00 39.78 39.02 2bud n ASN 378 CO 0.00 0.00 0.00 -0.65 -0.44 0.00 0.00 177.26 176.17 2bud h PRO 379 N 2.46 0.55 -0.35 -0.53 0.11 -1.89 0.22 132.00 132.57 2bud h PRO 379 Ca -0.26 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 2bud h PRO 379 Cb 1.18 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 2bud h PRO 379 CO 0.03 0.36 0.06 -0.44 -0.21 0.00 0.00 178.00 177.80 2bud h ASP 380 N 0.57 0.47 -2.04 -2.05 3.32 -1.95 -3.44 116.42 111.30 2bud h ASP 380 Ca 0.53 -0.07 -0.62 0.00 0.02 0.00 0.00 57.03 56.89 2bud h ASP 380 Cb 1.09 -0.12 0.04 0.00 0.22 0.00 0.00 39.33 40.56 2bud h ASP 380 CO -0.28 0.49 0.91 1.17 -1.72 0.00 0.00 179.24 179.82 2bud n LYS 381 N -4.33 1.97 -2.68 3.56 4.81 0.77 -4.92 118.16 117.35 2bud n LYS 381 Ca 0.02 0.72 -0.43 0.00 -0.87 0.00 0.00 58.31 57.75 2bud n LYS 381 Cb 0.20 -2.50 -0.02 0.00 0.02 0.00 0.00 35.03 32.72 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 2.52 4.75 -0.03 3.15 -1.09 -1.26 -4.73 121.20 124.52 2bud s ILE 382 Ca 0.87 2.03 -0.01 0.00 -2.23 0.00 0.00 60.65 61.31 2bud s ILE 382 Cb -0.75 -4.31 -0.04 0.00 -1.58 0.00 0.00 42.46 35.79 2bud s ILE 382 CO 0.47 -0.03 0.08 -0.31 -1.23 0.00 0.00 174.94 173.93 2bud s TYR 383 N 2.24 3.31 -0.07 3.97 1.51 -0.67 -4.88 117.35 122.77 2bud s TYR 383 Ca 0.48 0.24 -0.14 0.00 -1.01 0.00 0.00 57.07 56.64 2bud s TYR 383 Cb -0.18 -1.77 -0.05 0.00 -0.11 0.00 0.00 41.96 39.85 2bud s TYR 383 CO 0.16 0.56 0.36 -0.06 -1.11 0.00 0.00 175.55 175.46 2bud s PHE 384 N -1.14 3.61 -0.14 2.71 0.08 -1.17 0.16 117.98 122.10 2bud s PHE 384 Ca 0.21 0.82 0.02 0.00 0.12 0.00 0.00 56.93 58.10 2bud s PHE 384 Cb -0.12 -2.30 0.01 0.00 -0.57 0.00 0.00 43.02 40.04 2bud s PHE 384 CO 0.12 0.48 -0.21 0.42 -0.10 0.00 0.00 175.22 175.93 2bud s ILE 385 N -0.41 2.19 -0.23 0.64 1.09 0.81 -2.28 121.20 123.01 2bud s ILE 385 Ca 0.21 -0.94 -0.21 0.00 -1.10 0.00 0.00 60.65 58.61 2bud s ILE 385 Cb -0.15 -1.88 -0.02 0.00 -1.06 0.00 0.00 42.46 39.35 2bud s ILE 385 CO 0.09 0.55 0.64 -0.60 -0.10 0.00 0.00 174.94 175.52 2bud s ARG 386 N 0.72 4.16 0.78 2.79 3.52 -0.89 -1.67 118.95 128.37 2bud s ARG 386 Ca -0.09 0.60 -0.12 0.00 -0.13 0.00 0.00 55.73 55.99 2bud s ARG 386 Cb -0.16 -3.61 0.06 0.00 -1.56 0.00 0.00 34.95 29.68 2bud s ARG 386 CO 0.00 -0.34 1.15 1.03 -0.81 0.00 0.00 175.30 176.34 2bud s ARG 387 N 2.24 2.18 0.23 5.12 0.52 -0.98 -4.83 118.95 123.43 2bud s ARG 387 Ca 0.28 0.23 -0.06 0.00 -0.52 0.00 0.00 55.73 55.66 2bud s ARG 387 Cb -0.16 -1.96 0.33 0.00 0.52 0.00 0.00 34.95 33.68 2bud s ARG 387 CO 0.09 -1.47 1.82 0.93 0.02 0.00 0.00 175.30 176.69 2bud h GLU 388 N -0.97 0.76 0.00 3.54 4.39 -1.97 0.43 114.58 120.77 2bud h GLU 388 Ca -0.46 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.19 2bud h GLU 388 Cb 1.31 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 2bud h GLU 388 CO 0.65 0.51 0.00 -0.40 -1.16 0.00 0.00 179.01 178.61 2bud n ASP 389 N -4.74 0.00 -1.81 1.42 5.75 -1.26 -4.84 116.55 111.07 2bud n ASP 389 Ca 0.11 -0.97 -0.06 0.00 -0.01 0.00 0.00 54.79 53.87 2bud n ASP 389 Cb 0.22 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.34 2bud n ASP 389 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bud n GLY 390 N 0.16 0.20 3.06 6.12 0.00 0.14 -4.97 105.19 109.90 2bud n GLY 390 Ca 0.06 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 2bud n GLY 390 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bud s THR 391 N -3.12 2.09 0.05 2.61 -4.23 -1.25 -4.81 115.64 106.98 2bud s THR 391 Ca 0.02 -1.55 -0.31 0.00 -1.18 0.00 0.00 61.69 58.68 2bud s THR 391 Cb -0.01 -2.20 -0.06 0.00 1.34 0.00 0.00 72.50 71.57 2bud s THR 391 CO 0.25 -0.01 1.37 -0.69 -0.54 0.00 0.00 174.62 175.01 2bud s VAL 392 N 1.15 3.60 -0.07 2.29 1.01 -1.00 -2.32 120.40 125.06 2bud s VAL 392 Ca -0.08 1.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.93 2bud s VAL 392 Cb -0.19 -3.69 0.03 0.00 0.00 0.00 0.00 36.38 32.52 2bud s VAL 392 CO -0.06 0.04 0.19 -1.00 0.00 0.00 0.00 175.10 174.27 2bud s HIS 393 N 1.75 -0.22 0.79 5.22 3.76 -0.67 -4.59 115.29 121.33 2bud s HIS 393 Ca 0.63 0.55 -0.15 0.00 -0.15 0.00 0.00 55.06 55.94 2bud s HIS 393 Cb -0.33 0.03 0.02 0.00 1.11 0.00 0.00 32.58 33.42 2bud s HIS 393 CO 0.28 -0.14 0.84 0.54 -0.85 0.00 0.00 174.74 175.42 2bud n ARG 394 N 3.48 0.22 0.00 1.40 1.74 -1.26 -0.13 116.66 122.10 2bud n ARG 394 Ca -0.18 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 2bud n ARG 394 Cb 0.56 -2.13 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 2bud n ARG 394 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bud n GLY 395 N 1.12 0.95 3.71 -0.13 0.00 0.43 -2.82 105.19 108.46 2bud n GLY 395 Ca 0.11 0.43 -0.38 0.00 0.00 0.00 0.00 46.02 46.19 2bud n GLY 395 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bud s GLN 396 N 0.00 4.32 -0.10 1.61 -0.21 -0.15 -1.66 119.66 123.47 2bud s GLN 396 Ca 0.00 0.45 -0.27 0.00 0.02 0.00 0.00 55.36 55.56 2bud s GLN 396 Cb 0.00 -3.45 -0.02 0.00 1.00 0.00 0.00 33.01 30.53 2bud s GLN 396 CO 0.00 0.11 0.87 0.08 -2.12 0.00 0.00 175.29 174.24 2bud s VAL 397 N 0.76 4.89 0.00 1.09 1.01 -1.25 -0.69 120.40 126.21 2bud s VAL 397 Ca 0.26 1.78 0.00 0.00 0.00 0.00 0.00 61.98 64.01 2bud s VAL 397 Cb -0.15 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.03 2bud s VAL 397 CO 0.10 0.10 0.00 0.18 0.00 0.00 0.00 175.10 175.48 2bud n LEU 398 N 4.58 0.91 -4.64 3.92 4.77 -1.00 -4.86 117.00 120.68 2bud n LEU 398 Ca 0.04 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.73 2bud n LEU 398 Cb 0.50 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.50 2bud n LEU 398 CO 0.50 0.14 -0.24 -1.10 -1.33 0.00 0.00 177.39 175.35 2bud s GLN 399 N -1.99 2.04 -0.17 3.23 -1.52 -1.26 -4.95 119.66 115.05 2bud s GLN 399 Ca 0.00 -2.26 -0.28 0.00 -1.95 0.00 0.00 55.36 50.87 2bud s GLN 399 Cb 0.00 -1.21 0.09 0.00 -0.22 0.00 0.00 33.01 31.68 2bud s GLN 399 CO 0.00 -0.34 0.83 -1.54 -0.25 0.00 0.00 175.29 173.99 2bud s SER 400 N -3.74 -0.57 -0.27 5.90 1.04 -1.26 -0.18 113.70 114.62 2bud s SER 400 Ca 0.17 0.83 -0.24 0.00 0.48 0.00 0.00 55.95 57.19 2bud s SER 400 Cb 0.04 0.74 0.09 0.00 0.10 0.00 0.00 66.02 66.99 2bud s SER 400 CO 0.09 -0.38 0.82 0.00 0.98 0.00 0.00 173.24 174.74 2bud s ARG 401 N -0.58 0.72 0.00 4.02 1.70 0.30 -4.95 118.95 120.17 2bud s ARG 401 Ca -0.04 0.89 0.00 0.00 -0.47 0.00 0.00 55.73 56.11 2bud s ARG 401 Cb -0.02 0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.69 2bud s ARG 401 CO 0.03 -0.09 0.00 0.25 -1.08 0.00 0.00 175.30 174.41 2bud n THR 402 N 2.69 0.00 -3.45 4.99 -2.24 -1.26 -0.10 114.28 114.91 2bud n THR 402 Ca -0.14 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.62 2bud n THR 402 Cb 0.56 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.79 2bud n THR 402 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2bud n THR 403 N 0.00 0.00 -0.33 4.28 -1.04 -1.26 -4.42 114.28 111.51 2bud n THR 403 Ca 0.00 -0.26 0.23 0.00 -2.04 0.00 0.00 64.05 61.98 2bud n THR 403 Cb 0.00 0.30 0.46 0.00 -1.82 0.00 0.00 70.33 69.27 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 0.31 0.22 -2.82 4.39 -1.99 0.41 114.58 115.10 2bud h GLU 404 Ca -0.10 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 2bud h GLU 404 Cb 0.42 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2bud h GLU 404 CO 0.14 0.21 -0.11 -0.97 -1.16 0.00 0.00 179.01 177.11 2bud h ASN 405 N 0.32 -0.25 -6.25 1.42 -0.00 -1.97 -3.47 115.58 105.38 2bud h ASN 405 Ca 0.72 -0.25 -0.45 0.00 -0.00 0.00 0.00 56.30 56.32 2bud h ASN 405 Cb 1.62 0.07 0.02 0.00 -0.00 0.00 0.00 38.32 40.03 2bud h ASN 405 CO -0.61 0.15 -0.87 0.00 -0.00 0.00 0.00 177.43 176.10 2bud n ALA 406 N -2.45 -2.11 -1.67 1.57 0.00 0.13 -4.83 120.51 111.16 2bud n ALA 406 Ca -0.09 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2bud n ALA 406 Cb 0.25 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.54 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 -4.28 1.07 0.00 0.00 0.00 -1.26 -4.96 120.51 111.08 2bud n ALA 407 Ca -0.27 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2bud n ALA 407 Cb 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 -1.74 0.00 0.00 -1.26 -5.15 120.51 112.36 2bud n ALA 408 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 2bud n ALA 408 Cb 0.51 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.83 2.72 -0.29 0.00 0.02 -1.26 -5.03 135.00 129.33 2bud s PRO 409 Ca 0.00 2.08 -0.23 0.00 0.02 0.00 0.00 61.00 62.87 2bud s PRO 409 Cb 0.00 -1.94 0.17 0.00 0.02 0.00 0.00 34.50 32.75 2bud s PRO 409 CO 0.00 -1.47 1.23 0.16 -0.33 0.00 0.00 177.00 176.59 2bud s ASP 410 N -1.32 -0.24 -0.02 2.53 -4.77 -1.26 -4.18 116.67 107.40 2bud s ASP 410 Ca 0.80 0.43 0.02 0.00 -3.30 0.00 0.00 52.55 50.50 2bud s ASP 410 Cb -0.37 0.61 0.01 0.00 -1.09 0.00 0.00 42.92 42.07 2bud s ASP 410 CO 0.41 -0.07 -0.05 -1.61 0.70 0.00 0.00 175.17 174.54 2bud s GLU 411 N 0.38 0.66 -0.19 2.11 2.02 0.86 -3.99 118.70 120.54 2bud s GLU 411 Ca 0.02 -0.16 -0.04 0.00 0.02 0.00 0.00 54.97 54.81 2bud s GLU 411 Cb -0.04 -0.66 -0.02 0.00 0.10 0.00 0.00 34.13 33.50 2bud s GLU 411 CO -0.12 0.03 -0.03 0.71 0.02 0.00 0.00 175.26 175.87 2bud s TYR 412 N 0.40 3.00 0.47 1.61 1.51 -0.38 -0.53 117.35 123.42 2bud s TYR 412 Ca -0.05 -0.52 -0.24 0.00 -1.01 0.00 0.00 57.07 55.25 2bud s TYR 412 Cb -0.09 -2.03 -0.07 0.00 -0.11 0.00 0.00 41.96 39.66 2bud s TYR 412 CO -0.00 -0.24 1.37 -0.47 -1.11 0.00 0.00 175.55 175.10 2bud s TYR 413 N 0.86 2.51 -0.08 2.71 5.04 0.75 -2.67 117.35 126.46 2bud s TYR 413 Ca -0.00 1.34 -0.04 0.00 -2.44 0.00 0.00 57.07 55.93 2bud s TYR 413 Cb -0.14 -3.80 0.04 0.00 0.35 0.00 0.00 41.96 38.40 2bud s TYR 413 CO 0.02 -2.67 0.18 0.14 -1.34 0.00 0.00 175.55 171.87 2bud s VAL 414 N -1.26 -0.06 -0.58 3.14 -7.23 -1.03 -2.37 120.40 111.00 2bud s VAL 414 Ca 0.63 0.18 -0.12 0.00 -1.81 0.00 0.00 61.98 60.86 2bud s VAL 414 Cb -0.41 -0.29 0.15 0.00 0.56 0.00 0.00 36.38 36.39 2bud s VAL 414 CO 0.51 0.07 0.50 -2.28 -0.31 0.00 0.00 175.10 173.59 2bud s HIS 415 N 1.25 3.43 -0.44 2.82 2.46 0.13 -3.18 115.29 121.76 2bud s HIS 415 Ca -0.09 -1.76 -0.31 0.00 0.47 0.00 0.00 55.06 53.37 2bud s HIS 415 Cb -0.11 -3.65 -0.11 0.00 -0.13 0.00 0.00 32.58 28.58 2bud s HIS 415 CO -0.07 -0.99 2.31 0.66 -2.47 0.00 0.00 174.74 174.18 2bud n TYR 416 N 4.72 1.49 -2.07 3.88 4.02 -1.26 -0.98 117.16 126.96 2bud n TYR 416 Ca -0.04 0.19 -0.42 0.00 -0.01 0.00 0.00 57.90 57.62 2bud n TYR 416 Cb 0.42 -2.57 -0.03 0.00 -0.02 0.00 0.00 39.34 37.14 2bud n TYR 416 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2bud s VAL 417 N 8.87 3.03 0.00 -0.72 1.01 -1.13 -3.18 120.40 128.28 2bud s VAL 417 Ca 1.09 0.74 0.00 0.00 0.00 0.00 0.00 61.98 63.80 2bud s VAL 417 Cb -0.66 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.25 2bud s VAL 417 CO 0.41 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.18 2bud n GLY 418 N 3.60 1.40 3.63 4.51 0.00 -1.26 -4.52 105.19 112.54 2bud n GLY 418 Ca 0.12 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 1.74 0.42 0.99 1.02 -1.19 -4.94 118.68 116.72 2bud s LEU 419 Ca 0.00 1.54 -0.25 0.00 0.02 0.00 0.00 54.13 55.44 2bud s LEU 419 Cb 0.00 -3.74 -0.10 0.00 0.02 0.00 0.00 46.19 42.37 2bud s LEU 419 CO 0.00 -3.32 1.09 0.59 0.02 0.00 0.00 176.35 174.72 2bud n ASN 420 N -4.34 1.63 -0.25 2.29 3.02 -1.26 -4.89 115.26 111.47 2bud n ASN 420 Ca 0.06 1.06 -0.02 0.00 -0.03 0.00 0.00 54.58 55.64 2bud n ASN 420 Cb 0.55 -1.39 0.16 0.00 -0.61 0.00 0.00 39.78 38.48 2bud n ASN 420 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2bud h ARG 421 N 1.69 1.07 -0.54 3.52 3.08 -1.92 -2.41 114.38 118.89 2bud h ARG 421 Ca -0.45 -0.13 0.10 0.00 0.07 0.00 0.00 59.98 59.57 2bud h ARG 421 Cb 1.33 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 31.14 2bud h ARG 421 CO 0.58 0.80 0.37 0.07 -1.07 0.00 0.00 179.97 180.72 2bud h ARG 422 N 1.08 0.28 -0.14 0.04 0.11 -1.99 -0.75 114.38 113.01 2bud h ARG 422 Ca 0.27 -0.02 0.04 0.00 0.10 0.00 0.00 59.98 60.37 2bud h ARG 422 Cb 0.06 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 2bud h ARG 422 CO -0.04 0.18 0.12 -0.07 0.10 0.00 0.00 179.97 180.27 2bud h LEU 423 N 0.29 0.00 -9.40 0.08 4.07 -1.79 -3.43 115.31 105.13 2bud h LEU 423 Ca 0.25 0.00 -0.62 0.00 0.08 0.00 0.00 57.88 57.59 2bud h LEU 423 Cb 0.61 0.00 0.11 0.00 1.08 0.00 0.00 40.66 42.45 2bud h LEU 423 CO -0.06 0.00 0.03 0.47 -1.08 0.00 0.00 178.44 177.81 2bud n ASP 424 N -4.19 0.91 0.00 -0.43 8.00 -0.29 -4.90 116.55 115.66 2bud n ASP 424 Ca 0.00 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.68 2bud n ASP 424 Cb 0.24 -1.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 2bud n ASP 424 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bud n GLY 425 N 1.37 1.99 3.10 0.44 0.00 -1.19 -5.05 105.19 105.85 2bud n GLY 425 Ca 0.11 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 2bud n GLY 425 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2bud s TRP 426 N -0.66 1.35 0.20 1.61 0.52 -1.26 -2.48 118.94 118.22 2bud s TRP 426 Ca 0.00 -0.30 0.09 0.00 0.02 0.00 0.00 56.10 55.92 2bud s TRP 426 Cb 0.00 -0.89 -0.04 0.00 -1.15 0.00 0.00 33.47 31.39 2bud s TRP 426 CO 0.00 -0.06 -0.10 0.14 0.02 0.00 0.00 176.95 176.94 2bud s VAL 427 N -0.18 3.11 0.00 4.03 -7.23 -1.09 -4.95 120.40 114.08 2bud s VAL 427 Ca 0.02 -1.78 0.00 0.00 -1.81 0.00 0.00 61.98 58.42 2bud s VAL 427 Cb -0.07 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.31 2bud s VAL 427 CO 0.00 -0.17 0.99 0.61 -0.31 0.00 0.00 175.10 176.22 2bud n GLY 428 N -0.12 1.85 4.74 2.32 0.00 -1.26 -1.25 105.19 111.47 2bud n GLY 428 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2bud n GLY 428 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2bud n ARG 429 N 0.64 0.00 0.31 1.61 3.00 -1.26 -4.54 116.66 116.42 2bud n ARG 429 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 57.85 58.04 2bud n ARG 429 Cb 0.45 -0.09 1.02 0.00 0.00 0.00 0.00 32.46 33.84 2bud n ARG 429 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.63 178.75 2bud h HIS 430 N 0.00 0.00 0.00 -0.14 2.07 -1.91 -2.06 115.15 113.11 2bud h HIS 430 Ca 0.00 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.38 2bud h HIS 430 Cb 0.00 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.96 2bud h HIS 430 CO 0.00 0.02 -0.66 0.00 -3.07 0.00 0.00 177.93 174.21 2bud h ARG 431 N 0.00 0.00 -6.19 5.12 3.08 -1.88 -3.45 114.38 111.06 2bud h ARG 431 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 2bud h ARG 431 Cb 0.13 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 2bud h ARG 431 CO 0.00 0.66 0.02 0.42 -1.07 0.00 0.00 179.97 180.00 2bud s ILE 432 N -2.95 4.79 -0.27 2.04 1.01 -0.78 -2.09 121.20 122.96 2bud s ILE 432 Ca 0.02 1.32 -0.23 0.00 0.00 0.00 0.00 60.65 61.76 2bud s ILE 432 Cb 0.09 -3.96 0.07 0.00 0.01 0.00 0.00 42.46 38.67 2bud s ILE 432 CO 0.77 0.46 0.70 -0.44 0.00 0.00 0.00 174.94 176.43 2bud s SER 433 N -0.52 -0.76 0.38 3.58 0.01 -0.97 -4.99 113.70 110.42 2bud s SER 433 Ca 0.32 1.44 0.18 0.00 1.31 0.00 0.00 55.95 59.20 2bud s SER 433 Cb -0.19 1.44 0.72 0.00 0.21 0.00 0.00 66.02 68.20 2bud s SER 433 CO 0.19 -0.25 1.76 -2.24 0.41 0.00 0.00 173.24 173.12 2bud h ASP 434 N 5.28 0.00 -3.35 2.44 3.04 -1.96 -3.08 116.42 118.78 2bud h ASP 434 Ca -0.29 0.00 -0.65 0.00 -3.24 0.00 0.00 57.03 52.85 2bud h ASP 434 Cb 1.17 0.00 -0.25 0.00 -1.04 0.00 0.00 39.33 39.21 2bud h ASP 434 CO 0.07 0.37 -0.74 0.20 -2.04 0.00 0.00 179.24 177.10 2bud s ASN 435 N -6.48 4.21 0.33 4.15 0.01 -1.26 -4.81 114.94 111.09 2bud s ASN 435 Ca -0.00 -0.27 0.07 0.00 -0.71 0.00 0.00 52.86 51.95 2bud s ASN 435 Cb 0.11 -1.61 0.58 0.00 0.41 0.00 0.00 41.25 40.74 2bud s ASN 435 CO 0.69 0.18 1.79 0.00 -1.51 0.00 0.00 177.10 178.24 2bud h ALA 436 N 6.61 1.27 -0.95 0.60 0.00 -1.95 -2.94 119.26 121.89 2bud h ALA 436 Ca -0.28 -0.32 0.17 0.00 0.00 0.00 0.00 54.91 54.48 2bud h ALA 436 Cb 1.20 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.80 2bud h ALA 436 CO 0.57 0.49 0.55 -0.44 0.00 0.00 0.00 179.25 180.43 2bud h ASP 437 N 0.24 0.70 -0.37 0.00 3.32 -1.95 0.17 116.42 118.52 2bud h ASP 437 Ca 0.04 0.10 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 2bud h ASP 437 Cb 0.62 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 2bud h ASP 437 CO 0.04 0.26 -0.21 0.44 -1.72 0.00 0.00 179.24 178.05 2bud h ASP 438 N 0.72 0.88 0.00 6.45 5.19 -1.95 -3.39 116.42 124.33 2bud h ASP 438 Ca 0.54 -0.32 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 2bud h ASP 438 Cb 0.81 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.08 2bud h ASP 438 CO -0.38 1.06 0.00 0.18 -3.12 0.00 0.00 179.24 176.99 2bud n LEU 439 N -4.11 0.00 -2.28 1.55 4.77 0.53 -4.93 117.00 112.52 2bud n LEU 439 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 2bud n LEU 439 Cb 0.44 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.62 2bud n LEU 439 CO 0.45 0.00 0.51 0.61 -1.33 0.00 0.00 177.39 177.64 2bud n GLY 440 N 0.32 1.09 1.19 -0.72 0.00 -0.92 -5.04 105.19 101.11 2bud n GLY 440 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.06 -4.41 3.61 -0.02 0.00 -1.14 -4.74 105.19 97.44 2bud n GLY 441 Ca -0.12 -0.65 -0.44 0.00 0.00 0.00 0.00 46.02 44.80 2bud n GLY 441 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2bud n ILE 442 N 0.03 0.47 -3.64 -0.61 -0.00 -1.26 -4.52 119.36 109.82 2bud n ILE 442 Ca 0.00 -0.32 -0.03 0.00 -0.00 0.00 0.00 62.75 62.40 2bud n ILE 442 Cb 0.00 -2.33 -0.07 0.00 -0.00 0.00 0.00 39.64 37.24 2bud n ILE 442 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 2bud s THR 443 N 6.71 0.00 -0.24 1.39 -1.32 -1.26 -4.99 115.64 115.92 2bud s THR 443 Ca 0.98 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 61.35 2bud s THR 443 Cb -0.46 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.49 2bud s THR 443 CO 0.40 0.00 0.15 -0.69 -2.21 0.00 0.00 174.62 172.28 2bud s VAL 444 N 1.37 5.26 -0.74 5.08 1.01 -1.26 -2.37 120.40 128.75 2bud s VAL 444 Ca -0.09 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.07 2bud s VAL 444 Cb -0.04 -3.46 0.26 0.00 0.00 0.00 0.00 36.38 33.15 2bud s VAL 444 CO -0.16 0.34 0.92 0.18 0.00 0.00 0.00 175.10 176.39 2bud n LEU 445 N 4.36 4.40 -4.66 3.92 4.77 -1.26 -5.07 117.00 123.47 2bud n LEU 445 Ca -0.15 -5.40 -0.42 0.00 -0.03 0.00 0.00 56.01 50.01 2bud n LEU 445 Cb 0.52 -0.80 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 2bud n LEU 445 CO 0.35 1.98 1.62 -2.84 -1.33 0.00 0.00 177.39 177.16 2bud s PRO 446 N -2.58 4.08 0.27 3.23 0.02 -1.26 -4.48 135.00 134.27 2bud s PRO 446 Ca 0.38 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.98 2bud s PRO 446 Cb 0.13 -4.18 0.00 0.00 0.02 0.00 0.00 34.50 30.47 2bud s PRO 446 CO 0.01 -1.03 0.00 0.00 -0.33 0.00 0.00 177.00 175.66 2bud n ALA 447 N 7.79 -1.97 -1.99 -1.55 0.00 -1.26 -4.84 120.51 116.69 2bud n ALA 447 Ca 0.20 0.49 -0.42 0.00 0.00 0.00 0.00 53.44 53.71 2bud n ALA 447 Cb 0.41 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 2bud n ALA 447 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2bud s PRO 448 N -0.97 4.23 0.03 0.00 0.02 -1.26 -4.94 135.00 132.11 2bud s PRO 448 Ca 0.00 2.28 -0.30 0.00 0.02 0.00 0.00 61.00 63.00 2bud s PRO 448 Cb 0.00 -3.30 -0.07 0.00 0.02 0.00 0.00 34.50 31.15 2bud s PRO 448 CO 0.00 -0.60 1.68 -1.25 -0.33 0.00 0.00 177.00 176.49 2bud s PRO 449 N 1.55 4.19 0.20 5.54 0.04 -1.26 -4.96 135.00 140.29 2bud s PRO 449 Ca 0.70 2.30 -0.30 0.00 0.04 0.00 0.00 61.00 63.74 2bud s PRO 449 Cb -0.41 -3.77 -0.08 0.00 0.04 0.00 0.00 34.50 30.27 2bud s PRO 449 CO 0.31 -0.79 1.20 -0.48 0.04 0.00 0.00 177.00 177.29 2bud s LEU 450 N 3.25 4.45 -0.57 -3.56 2.34 -1.26 -4.10 118.68 119.23 2bud s LEU 450 Ca 0.75 2.27 -0.12 0.00 0.06 0.00 0.00 54.13 57.09 2bud s LEU 450 Cb -0.38 -3.61 0.02 0.00 -0.56 0.00 0.00 46.19 41.66 2bud s LEU 450 CO 0.32 -0.37 0.64 0.00 -1.06 0.00 0.00 176.35 175.88 2bud n ALA 451 N 2.33 -2.73 0.59 1.48 0.00 -1.26 -4.79 120.51 116.14 2bud n ALA 451 Ca 0.04 0.54 0.00 0.00 0.00 0.00 0.00 53.44 54.02 2bud n ALA 451 Cb 0.44 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.36 2bud n ALA 451 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2bud n PRO 452 N -1.00 0.44 -2.95 0.00 -0.04 -1.26 -4.74 135.00 125.45 2bud n PRO 452 Ca 0.01 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.06 2bud n PRO 452 Cb 0.53 -1.14 -0.04 0.00 -0.04 0.00 0.00 33.50 32.81 2bud n PRO 452 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2bud s ASP 453 N -0.93 7.05 0.00 3.54 -1.08 -1.26 -5.21 116.67 118.78 2bud s ASP 453 Ca 0.00 1.27 0.00 0.00 -0.52 0.00 0.00 52.55 53.30 2bud s ASP 453 Cb 0.00 -2.45 0.00 0.00 -1.46 0.00 0.00 42.92 39.01 2bud s ASP 453 CO 0.00 -0.21 0.00 1.67 0.52 0.00 0.00 175.17 177.15