#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 -3.42 1.61 2.88 -1.26 -4.68 113.62 108.75 2bud n SER 364 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 2bud n SER 364 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 2bud n SER 364 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2bud s HIS 365 N 0.00 -0.79 -0.20 0.66 5.65 -1.26 -5.15 115.29 114.20 2bud s HIS 365 Ca 0.00 1.32 -0.15 0.00 0.25 0.00 0.00 55.06 56.48 2bud s HIS 365 Cb 0.00 0.46 -0.04 0.00 -1.18 0.00 0.00 32.58 31.82 2bud s HIS 365 CO 0.00 -0.40 0.37 -1.64 -0.65 0.00 0.00 174.74 172.43 2bud s MET 366 N 2.55 4.17 -0.36 2.88 1.00 -1.26 -5.03 119.30 123.25 2bud s MET 366 Ca -0.02 0.16 -0.29 0.00 0.00 0.00 0.00 55.69 55.54 2bud s MET 366 Cb -0.07 -3.53 -0.00 0.00 0.00 0.00 0.00 34.83 31.22 2bud s MET 366 CO -0.17 -0.01 1.55 -0.51 0.00 0.00 0.00 175.02 175.87 2bud s ASP 367 N 1.01 6.22 -0.14 3.03 1.01 -1.26 -4.88 116.67 121.66 2bud s ASP 367 Ca 0.18 1.09 0.00 0.00 0.71 0.00 0.00 52.55 54.53 2bud s ASP 367 Cb -0.15 -2.53 0.15 0.00 1.01 0.00 0.00 42.92 41.40 2bud s ASP 367 CO 0.07 -1.48 1.56 -0.81 0.21 0.00 0.00 175.17 174.73 2bud n PRO 368 N 8.10 1.36 0.00 8.23 -0.04 -1.26 -1.75 135.00 149.64 2bud n PRO 368 Ca 0.19 -0.79 0.00 0.00 -0.04 0.00 0.00 63.50 62.85 2bud n PRO 368 Cb 0.47 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 2bud n PRO 368 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2bud n LEU 369 N 0.42 0.00 0.00 1.53 -0.00 -1.26 -4.92 117.00 112.78 2bud n LEU 369 Ca 0.16 -0.27 0.00 0.00 -0.00 0.00 0.00 56.01 55.90 2bud n LEU 369 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.11 2bud n LEU 369 CO 0.18 0.28 0.00 1.15 -0.00 0.00 0.00 177.39 179.00 2bud n MET 370 N 0.00 0.00 0.00 1.47 0.00 -1.22 -5.16 117.12 112.21 2bud n MET 370 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2bud n MET 370 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.70 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 0.00 0.00 -2.43 3.17 6.02 -0.72 -4.64 117.38 118.79 2bud n GLN 371 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.65 2bud n GLN 371 Cb 0.15 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.39 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 0.00 3.64 0.23 -1.09 -0.14 -1.26 -4.66 119.74 116.46 2bud s LYS 372 Ca 0.00 1.42 -0.31 0.00 -1.36 0.00 0.00 55.97 55.72 2bud s LYS 372 Cb 0.00 -2.06 -0.14 0.00 -1.68 0.00 0.00 37.83 33.94 2bud s LYS 372 CO 0.00 -0.58 1.27 -0.89 -0.76 0.00 0.00 175.35 174.40 2bud n ILE 373 N -1.14 1.12 -3.16 2.17 5.41 -1.26 -4.93 119.36 117.57 2bud n ILE 373 Ca 0.10 -0.28 -0.39 0.00 1.00 0.00 0.00 62.75 63.18 2bud n ILE 373 Cb 0.52 -1.22 -0.05 0.00 -0.71 0.00 0.00 39.64 38.18 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 0.06 6.84 -0.10 4.38 1.01 -1.26 -4.97 116.67 122.62 2bud s ASP 374 Ca 0.68 1.01 -0.19 0.00 0.71 0.00 0.00 52.55 54.75 2bud s ASP 374 Cb -0.72 -2.36 -0.27 0.00 1.01 0.00 0.00 42.92 40.59 2bud s ASP 374 CO 0.52 -0.08 0.63 0.40 0.21 0.00 0.00 175.17 176.85 2bud h ILE 375 N 4.78 1.22 -0.20 0.77 2.04 -1.95 -3.42 117.51 120.74 2bud h ILE 375 Ca -0.40 -2.41 -0.21 0.00 1.00 0.00 0.00 64.86 62.84 2bud h ILE 375 Cb 1.18 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 40.13 2bud h ILE 375 CO 0.76 0.66 0.64 -0.24 0.00 0.00 0.00 178.15 179.97 2bud n SER 376 N -4.09 1.99 0.00 1.72 2.88 -1.26 -2.23 113.62 112.63 2bud n SER 376 Ca -0.21 -2.58 0.00 0.00 -1.33 0.00 0.00 58.87 54.75 2bud n SER 376 Cb 0.82 -1.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 2bud n SER 376 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2bud n GLU 377 N 8.11 0.00 -2.68 -1.46 0.28 -1.26 -5.03 120.64 118.60 2bud n GLU 377 Ca 0.43 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 57.39 2bud n GLU 377 Cb 0.46 0.00 0.10 0.00 1.43 0.00 0.00 31.44 33.43 2bud n GLU 377 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2bud n ASN 378 N -0.14 -1.50 -0.32 -1.84 2.04 -0.95 -5.02 115.26 107.53 2bud n ASN 378 Ca 0.00 -2.24 0.10 0.00 -0.44 0.00 0.00 54.58 52.00 2bud n ASN 378 Cb 0.00 1.27 0.31 0.00 -2.53 0.00 0.00 39.78 38.83 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 2.50 0.81 -0.24 -0.53 0.11 -1.89 0.07 132.00 132.83 2bud h PRO 379 Ca -0.26 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.73 2bud h PRO 379 Cb 1.19 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 2bud h PRO 379 CO 0.01 0.53 -0.14 -0.44 -0.21 0.00 0.00 178.00 177.75 2bud h ASP 380 N 0.83 0.38 -1.62 -2.05 3.32 -1.93 -3.41 116.42 111.94 2bud h ASP 380 Ca 0.48 -0.09 -0.70 0.00 0.02 0.00 0.00 57.03 56.74 2bud h ASP 380 Cb 0.64 -0.10 0.04 0.00 0.22 0.00 0.00 39.33 40.13 2bud h ASP 380 CO -0.25 0.55 0.60 1.17 -1.72 0.00 0.00 179.24 179.60 2bud n LYS 381 N -4.22 1.14 -2.25 3.56 4.81 0.01 -4.86 118.16 116.34 2bud n LYS 381 Ca 0.00 0.41 -0.43 0.00 -0.87 0.00 0.00 58.31 57.43 2bud n LYS 381 Cb 0.31 -2.07 -0.02 0.00 0.02 0.00 0.00 35.03 33.27 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 1.54 3.97 -0.03 3.15 -1.09 -1.26 -4.57 121.20 122.91 2bud s ILE 382 Ca 0.89 1.20 -0.04 0.00 -2.23 0.00 0.00 60.65 60.47 2bud s ILE 382 Cb -1.00 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 36.07 2bud s ILE 382 CO 0.53 -0.09 0.19 -0.31 -1.23 0.00 0.00 174.94 174.03 2bud s TYR 383 N 3.54 3.57 -0.04 3.97 1.51 -0.68 -4.86 117.35 124.37 2bud s TYR 383 Ca 0.62 0.44 -0.21 0.00 -1.01 0.00 0.00 57.07 56.91 2bud s TYR 383 Cb -0.27 -1.88 -0.05 0.00 -0.11 0.00 0.00 41.96 39.65 2bud s TYR 383 CO 0.21 0.66 0.60 -0.06 -1.11 0.00 0.00 175.55 175.86 2bud s PHE 384 N -1.25 3.63 0.03 2.71 0.40 -1.20 0.43 117.98 122.74 2bud s PHE 384 Ca 0.24 1.16 0.07 0.00 -0.60 0.00 0.00 56.93 57.80 2bud s PHE 384 Cb -0.13 -2.64 -0.03 0.00 0.51 0.00 0.00 43.02 40.73 2bud s PHE 384 CO 0.15 0.27 -0.18 0.42 0.70 0.00 0.00 175.22 176.57 2bud s ILE 385 N 0.16 2.75 -0.29 0.64 1.09 -0.14 -2.00 121.20 123.41 2bud s ILE 385 Ca 0.32 -1.17 0.02 0.00 -1.10 0.00 0.00 60.65 58.72 2bud s ILE 385 Cb -0.18 -2.15 0.08 0.00 -1.06 0.00 0.00 42.46 39.16 2bud s ILE 385 CO 0.16 0.36 0.01 -0.60 -0.10 0.00 0.00 174.94 174.77 2bud s ARG 386 N -1.37 1.43 0.89 2.79 3.52 -0.55 -0.41 118.95 125.25 2bud s ARG 386 Ca 0.14 -1.36 -0.11 0.00 -0.13 0.00 0.00 55.73 54.27 2bud s ARG 386 Cb -0.10 -2.71 0.13 0.00 -1.56 0.00 0.00 34.95 30.70 2bud s ARG 386 CO 0.05 -0.80 1.11 1.03 -0.81 0.00 0.00 175.30 175.87 2bud s ARG 387 N 1.24 1.29 0.26 5.12 0.52 -1.02 -4.56 118.95 121.79 2bud s ARG 387 Ca 0.03 1.25 -0.03 0.00 -0.52 0.00 0.00 55.73 56.46 2bud s ARG 387 Cb -0.19 -1.78 0.53 0.00 0.52 0.00 0.00 34.95 34.03 2bud s ARG 387 CO -0.11 -2.34 1.69 0.93 0.02 0.00 0.00 175.30 175.48 2bud h GLU 388 N -1.65 0.29 -0.53 3.54 3.07 -2.00 -0.32 114.58 116.99 2bud h GLU 388 Ca -0.46 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 2bud h GLU 388 Cb 1.26 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 29.08 2bud h GLU 388 CO 0.48 0.19 0.34 0.38 -1.40 0.00 0.00 179.01 179.00 2bud h ASP 389 N 0.30 0.61 0.00 1.42 2.03 -1.91 -3.43 116.42 115.43 2bud h ASP 389 Ca 0.45 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.73 2bud h ASP 389 Cb 0.80 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 39.15 2bud h ASP 389 CO -0.52 0.45 0.00 0.61 -1.03 0.00 0.00 179.24 178.75 2bud n GLY 390 N -1.43 0.98 3.15 7.15 0.00 -0.13 -4.02 105.19 110.90 2bud n GLY 390 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.17 2.67 0.11 2.61 -4.23 -1.24 -4.00 115.64 110.38 2bud s THR 391 Ca 0.00 -1.30 -0.30 0.00 -1.18 0.00 0.00 61.69 58.91 2bud s THR 391 Cb 0.00 -2.45 -0.06 0.00 1.34 0.00 0.00 72.50 71.33 2bud s THR 391 CO 0.00 0.06 0.98 -0.69 -0.54 0.00 0.00 174.62 174.43 2bud s VAL 392 N 1.24 4.48 -0.23 2.29 1.01 -1.25 -2.44 120.40 125.50 2bud s VAL 392 Ca -0.04 2.03 -0.16 0.00 0.00 0.00 0.00 61.98 63.81 2bud s VAL 392 Cb -0.18 -4.30 0.07 0.00 0.00 0.00 0.00 36.38 31.97 2bud s VAL 392 CO -0.04 0.30 0.58 -1.38 0.00 0.00 0.00 175.10 174.56 2bud s HIS 393 N 0.09 -0.79 0.52 5.22 -3.43 0.45 -4.41 115.29 112.94 2bud s HIS 393 Ca 0.48 1.71 -0.23 0.00 -0.80 0.00 0.00 55.06 56.22 2bud s HIS 393 Cb -0.24 0.38 -0.06 0.00 -1.43 0.00 0.00 32.58 31.24 2bud s HIS 393 CO 0.30 -0.40 1.39 1.03 -2.00 0.00 0.00 174.74 175.07 2bud s ARG 394 N 1.05 3.29 -0.29 -0.38 0.52 -1.26 -0.97 118.95 120.91 2bud s ARG 394 Ca -0.06 2.33 -0.16 0.00 -0.52 0.00 0.00 55.73 57.32 2bud s ARG 394 Cb -0.05 -2.38 0.18 0.00 0.52 0.00 0.00 34.95 33.21 2bud s ARG 394 CO -0.10 -1.10 1.12 0.20 0.02 0.00 0.00 175.30 175.44 2bud s GLY 395 N -0.78 0.30 0.01 -3.53 0.00 0.17 -2.84 107.32 100.66 2bud s GLY 395 Ca 0.68 3.49 -0.30 0.00 0.00 0.00 0.00 44.72 48.59 2bud s GLY 395 CO 0.51 2.76 1.05 1.20 0.00 0.00 0.00 173.10 178.62 2bud s GLN 396 N 1.31 4.51 -0.05 2.90 -0.21 0.23 -1.68 119.66 126.68 2bud s GLN 396 Ca -0.08 1.52 -0.21 0.00 0.02 0.00 0.00 55.36 56.61 2bud s GLN 396 Cb -0.03 -3.44 -0.04 0.00 1.00 0.00 0.00 33.01 30.50 2bud s GLN 396 CO -0.13 -0.13 0.62 0.54 -2.12 0.00 0.00 175.29 174.08 2bud s VAL 397 N 1.10 5.00 -0.19 1.09 0.11 -1.26 0.07 120.40 126.32 2bud s VAL 397 Ca 0.54 1.29 -0.09 0.00 -2.93 0.00 0.00 61.98 60.79 2bud s VAL 397 Cb -0.23 -3.96 -0.09 0.00 -1.53 0.00 0.00 36.38 30.57 2bud s VAL 397 CO 0.28 0.33 -0.24 0.18 -3.33 0.00 0.00 175.10 172.32 2bud n LEU 398 N 3.32 1.45 -4.20 2.54 4.32 -0.38 -4.85 117.00 119.19 2bud n LEU 398 Ca -0.04 0.22 -0.17 0.00 -0.02 0.00 0.00 56.01 55.99 2bud n LEU 398 Cb 0.51 -0.57 -0.07 0.00 -1.62 0.00 0.00 43.42 41.67 2bud n LEU 398 CO 0.45 0.42 -0.03 -1.10 -1.22 0.00 0.00 177.39 175.91 2bud s GLN 399 N -2.35 1.76 -0.02 3.23 -1.52 -1.26 -4.96 119.66 114.54 2bud s GLN 399 Ca -0.27 -1.88 -0.14 0.00 -1.95 0.00 0.00 55.36 51.12 2bud s GLN 399 Cb 0.10 0.36 0.02 0.00 -0.22 0.00 0.00 33.01 33.28 2bud s GLN 399 CO 0.34 -0.68 0.29 -1.54 -0.25 0.00 0.00 175.29 173.45 2bud s SER 400 N -3.30 -0.17 -0.25 5.90 1.04 -1.26 0.94 113.70 116.60 2bud s SER 400 Ca 0.37 0.08 -0.22 0.00 0.48 0.00 0.00 55.95 56.65 2bud s SER 400 Cb 0.02 0.32 0.07 0.00 0.10 0.00 0.00 66.02 66.52 2bud s SER 400 CO 0.23 -0.42 0.66 0.00 0.98 0.00 0.00 173.24 174.70 2bud s ARG 401 N -1.25 0.77 0.09 4.02 1.70 0.44 -4.94 118.95 119.77 2bud s ARG 401 Ca -0.13 0.95 -0.21 0.00 -0.47 0.00 0.00 55.73 55.86 2bud s ARG 401 Cb -0.05 0.35 -0.07 0.00 -0.57 0.00 0.00 34.95 34.61 2bud s ARG 401 CO 0.04 -0.10 0.64 0.95 -1.08 0.00 0.00 175.30 175.75 2bud s THR 402 N 0.47 4.66 0.68 4.99 -4.23 -1.26 -1.05 115.64 119.89 2bud s THR 402 Ca -0.01 1.37 -0.11 0.00 -1.18 0.00 0.00 61.69 61.76 2bud s THR 402 Cb -0.05 -3.98 0.18 0.00 1.34 0.00 0.00 72.50 69.99 2bud s THR 402 CO -0.01 0.52 0.41 0.41 -0.54 0.00 0.00 174.62 175.41 2bud n THR 403 N 1.86 0.00 -0.32 3.99 -1.04 -1.25 -4.66 114.28 112.87 2bud n THR 403 Ca -0.08 -0.01 0.11 0.00 -2.04 0.00 0.00 64.05 62.02 2bud n THR 403 Cb 0.50 -0.49 0.28 0.00 -1.82 0.00 0.00 70.33 68.80 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 0.59 -0.08 -2.82 4.39 -1.97 -1.60 114.58 113.08 2bud h GLU 404 Ca -0.18 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.49 2bud h GLU 404 Cb 0.61 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 2bud h GLU 404 CO 0.11 0.39 0.02 -0.97 -1.16 0.00 0.00 179.01 177.40 2bud h ASN 405 N 0.61 0.01 -6.21 1.42 -1.24 -1.97 -3.47 115.58 104.74 2bud h ASN 405 Ca 0.53 0.01 -0.44 0.00 0.71 0.00 0.00 56.30 57.10 2bud h ASN 405 Cb 0.85 0.01 0.02 0.00 0.73 0.00 0.00 38.32 39.93 2bud h ASN 405 CO -0.41 0.02 -0.83 0.00 -1.29 0.00 0.00 177.43 174.92 2bud n ALA 406 N -2.16 -1.89 -1.34 1.57 0.00 -0.60 -4.83 120.51 111.25 2bud n ALA 406 Ca -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2bud n ALA 406 Cb 0.05 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.22 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 -4.36 1.08 0.00 0.00 0.00 -1.26 -4.95 120.51 111.02 2bud n ALA 407 Ca -0.24 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 52.81 2bud n ALA 407 Cb 0.65 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 -1.72 0.00 0.00 -1.26 -4.99 120.51 112.54 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 0.51 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.98 2bud n ALA 408 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2bud n PRO 409 N 0.00 1.93 -3.64 0.00 -0.02 -1.26 -4.82 135.00 127.20 2bud n PRO 409 Ca 0.00 0.69 -0.06 0.00 -2.02 0.00 0.00 63.50 62.12 2bud n PRO 409 Cb 0.00 -2.47 -0.07 0.00 -0.02 0.00 0.00 33.50 30.95 2bud n PRO 409 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 2bud s ASP 410 N -0.60 -0.39 -0.02 2.55 1.47 -1.26 -3.77 116.67 114.64 2bud s ASP 410 Ca 0.63 0.70 -0.01 0.00 1.18 0.00 0.00 52.55 55.06 2bud s ASP 410 Cb -0.47 0.88 0.02 0.00 -0.34 0.00 0.00 42.92 43.00 2bud s ASP 410 CO 0.56 -0.12 0.05 -1.61 0.68 0.00 0.00 175.17 174.73 2bud s GLU 411 N 0.60 0.02 -0.24 2.11 0.41 -0.22 -3.93 118.70 117.44 2bud s GLU 411 Ca -0.01 0.14 -0.06 0.00 -0.41 0.00 0.00 54.97 54.64 2bud s GLU 411 Cb -0.04 -0.10 -0.01 0.00 -1.78 0.00 0.00 34.13 32.19 2bud s GLU 411 CO -0.11 -0.08 0.02 0.71 -0.49 0.00 0.00 175.26 175.31 2bud s TYR 412 N 0.55 3.04 0.52 1.61 1.51 0.28 -0.42 117.35 124.44 2bud s TYR 412 Ca -0.04 -0.75 -0.22 0.00 -1.01 0.00 0.00 57.07 55.04 2bud s TYR 412 Cb -0.06 -2.18 -0.06 0.00 -0.11 0.00 0.00 41.96 39.55 2bud s TYR 412 CO -0.02 -0.48 1.22 0.98 -1.11 0.00 0.00 175.55 176.14 2bud n TYR 413 N 4.85 1.83 -3.67 2.71 9.36 0.27 -2.08 117.16 130.43 2bud n TYR 413 Ca -0.17 0.46 -0.09 0.00 3.32 0.00 0.00 57.90 61.42 2bud n TYR 413 Cb 0.51 -2.30 -0.09 0.00 -0.63 0.00 0.00 39.34 36.82 2bud n TYR 413 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2bud s VAL 414 N -1.32 -0.05 -0.36 2.97 0.11 -0.52 -1.25 120.40 119.99 2bud s VAL 414 Ca 0.70 0.06 -0.12 0.00 -2.93 0.00 0.00 61.98 59.68 2bud s VAL 414 Cb -0.45 -0.76 0.00 0.00 -1.53 0.00 0.00 36.38 33.64 2bud s VAL 414 CO 0.51 0.02 0.23 -2.28 -3.33 0.00 0.00 175.10 170.26 2bud s HIS 415 N 1.55 3.22 0.24 1.54 2.46 0.11 -3.24 115.29 121.17 2bud s HIS 415 Ca -0.09 -0.53 -0.31 0.00 0.47 0.00 0.00 55.06 54.60 2bud s HIS 415 Cb -0.07 -2.47 -0.11 0.00 -0.13 0.00 0.00 32.58 29.79 2bud s HIS 415 CO -0.16 -0.49 1.62 0.71 -2.47 0.00 0.00 174.74 173.95 2bud s TYR 416 N 1.65 2.87 -0.24 3.88 1.51 -1.26 -0.60 117.35 125.16 2bud s TYR 416 Ca 0.05 0.64 0.00 0.00 -1.01 0.00 0.00 57.07 56.74 2bud s TYR 416 Cb -0.18 -4.05 0.00 0.00 -0.11 0.00 0.00 41.96 37.62 2bud s TYR 416 CO 0.09 -3.72 0.83 0.28 -1.11 0.00 0.00 175.55 171.91 2bud n VAL 417 N 3.05 0.71 0.00 0.71 0.31 -1.13 -4.30 118.33 117.68 2bud n VAL 417 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 2bud n VAL 417 Cb 0.37 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 2bud n VAL 417 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bud n GLY 418 N 0.41 0.56 3.71 2.92 0.00 -1.26 -5.02 105.19 106.50 2bud n GLY 418 Ca 0.00 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 2bud n GLY 418 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bud n LEU 419 N 0.00 5.46 -4.53 0.99 4.32 -1.26 -4.91 117.00 117.07 2bud n LEU 419 Ca 0.00 0.75 -0.40 0.00 -0.02 0.00 0.00 56.01 56.34 2bud n LEU 419 Cb 0.00 -1.54 0.03 0.00 -1.62 0.00 0.00 43.42 40.29 2bud n LEU 419 CO 0.00 -1.25 0.29 0.59 -1.22 0.00 0.00 177.39 175.80 2bud n ASN 420 N -2.30 -0.08 0.24 -1.43 3.02 -1.26 -4.73 115.26 108.72 2bud n ASN 420 Ca 0.15 0.87 0.11 0.00 -0.03 0.00 0.00 54.58 55.69 2bud n ASN 420 Cb 0.49 -1.24 0.71 0.00 -0.61 0.00 0.00 39.78 39.12 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 0.78 0.00 -0.92 3.52 3.08 -1.95 -1.72 114.38 117.17 2bud h ARG 421 Ca -0.44 0.00 0.13 0.00 0.07 0.00 0.00 59.98 59.74 2bud h ARG 421 Cb 1.38 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.34 2bud h ARG 421 CO 0.51 0.00 0.54 0.00 -1.07 0.00 0.00 179.97 179.96 2bud h ARG 422 N 0.00 0.80 -0.09 0.04 3.08 -2.03 0.49 114.38 116.67 2bud h ARG 422 Ca 0.03 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.89 2bud h ARG 422 Cb 0.14 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2bud h ARG 422 CO -0.00 0.53 -0.58 -0.07 -1.07 0.00 0.00 179.97 178.78 2bud h LEU 423 N 0.82 0.31 -9.46 3.04 4.07 -1.66 -3.45 115.31 108.99 2bud h LEU 423 Ca 0.48 -0.17 -0.61 0.00 0.08 0.00 0.00 57.88 57.66 2bud h LEU 423 Cb 0.57 -0.09 0.06 0.00 1.08 0.00 0.00 40.66 42.28 2bud h LEU 423 CO -0.30 0.82 0.64 0.47 -1.08 0.00 0.00 178.44 178.98 2bud n ASP 424 N -3.90 2.56 0.00 -0.43 9.92 0.16 -4.82 116.55 120.04 2bud n ASP 424 Ca -0.02 1.11 0.00 0.00 -0.53 0.00 0.00 54.79 55.35 2bud n ASP 424 Cb 0.60 -1.36 0.00 0.00 -0.64 0.00 0.00 41.12 39.72 2bud n ASP 424 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bud n GLY 425 N 2.82 -0.94 3.68 0.44 0.00 -1.20 -5.01 105.19 104.98 2bud n GLY 425 Ca 0.16 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.00 3.24 -0.04 1.61 0.52 -1.26 -1.44 118.94 117.57 2bud s TRP 426 Ca 0.00 0.15 0.03 0.00 0.02 0.00 0.00 56.10 56.30 2bud s TRP 426 Cb 0.00 -1.92 0.00 0.00 -1.15 0.00 0.00 33.47 30.41 2bud s TRP 426 CO 0.00 0.36 -0.13 0.14 0.02 0.00 0.00 176.95 177.33 2bud s VAL 427 N -0.39 1.14 0.63 4.03 -7.23 -0.88 -4.91 120.40 112.79 2bud s VAL 427 Ca 0.08 -0.54 -0.18 0.00 -1.81 0.00 0.00 61.98 59.53 2bud s VAL 427 Cb -0.12 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.80 2bud s VAL 427 CO 0.02 0.34 1.14 0.61 -0.31 0.00 0.00 175.10 176.90 2bud n GLY 428 N 3.32 0.13 0.35 2.32 0.00 -1.26 -0.55 105.19 109.49 2bud n GLY 428 Ca -0.19 -0.16 0.19 0.00 0.00 0.00 0.00 46.02 45.86 2bud n GLY 428 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2bud h ARG 429 N 0.46 0.51 -0.20 1.61 9.65 -1.94 0.35 114.38 124.82 2bud h ARG 429 Ca -0.50 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.33 2bud h ARG 429 Cb 1.35 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.80 2bud h ARG 429 CO 0.52 0.34 0.04 1.12 2.80 0.00 0.00 179.97 184.79 2bud h HIS 430 N 0.53 0.28 -0.09 2.20 2.07 -1.93 -1.99 115.15 116.21 2bud h HIS 430 Ca 0.66 -0.01 -0.04 0.00 -2.85 0.00 0.00 60.37 58.13 2bud h HIS 430 Cb 1.32 -0.09 -0.02 0.00 2.57 0.00 0.00 27.41 31.19 2bud h HIS 430 CO -0.01 0.26 0.05 0.54 -3.07 0.00 0.00 177.93 175.71 2bud n ARG 431 N -4.41 1.24 -3.73 5.12 1.74 0.12 -4.74 116.66 112.00 2bud n ARG 431 Ca 0.00 -0.34 -0.12 0.00 -0.77 0.00 0.00 57.85 56.62 2bud n ARG 431 Cb 0.15 -1.28 -0.11 0.00 -1.02 0.00 0.00 32.46 30.20 2bud n ARG 431 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2bud s ILE 432 N -0.64 -0.01 -0.28 0.55 1.01 -0.75 -1.48 121.20 119.59 2bud s ILE 432 Ca 0.06 0.05 -0.24 0.00 0.00 0.00 0.00 60.65 60.52 2bud s ILE 432 Cb 0.05 -0.50 0.11 0.00 0.01 0.00 0.00 42.46 42.13 2bud s ILE 432 CO 0.01 0.02 0.96 -0.44 0.00 0.00 0.00 174.94 175.49 2bud s SER 433 N 0.69 -0.53 0.00 3.58 0.01 -0.85 -4.97 113.70 111.64 2bud s SER 433 Ca -0.04 1.00 0.00 0.00 1.31 0.00 0.00 55.95 58.22 2bud s SER 433 Cb -0.05 1.03 0.00 0.00 0.21 0.00 0.00 66.02 67.21 2bud s SER 433 CO -0.05 -0.17 0.60 -0.90 0.41 0.00 0.00 173.24 173.13 2bud n ASP 434 N 2.44 0.57 -3.78 2.44 5.68 -1.26 -3.21 116.55 119.43 2bud n ASP 434 Ca -0.13 -1.77 -0.17 0.00 -0.50 0.00 0.00 54.79 52.22 2bud n ASP 434 Cb 0.56 -0.29 -0.16 0.00 -1.14 0.00 0.00 41.12 40.09 2bud n ASP 434 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 2bud s ASN 435 N -0.47 0.43 0.14 -1.12 0.01 -1.26 -5.00 114.94 107.67 2bud s ASN 435 Ca 0.00 0.01 -0.14 0.00 -0.71 0.00 0.00 52.86 52.02 2bud s ASN 435 Cb 0.00 -0.16 0.01 0.00 0.41 0.00 0.00 41.25 41.51 2bud s ASN 435 CO 0.00 -0.13 1.63 0.00 -1.51 0.00 0.00 177.10 177.08 2bud h ALA 436 N 7.46 0.62 -0.98 0.60 0.00 -1.99 -3.02 119.26 121.96 2bud h ALA 436 Ca -0.39 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 54.38 2bud h ALA 436 Cb 1.13 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 2bud h ALA 436 CO 0.43 0.35 0.62 -0.44 0.00 0.00 0.00 179.25 180.21 2bud h ASP 437 N 0.65 0.96 -0.11 0.00 3.32 -1.97 -2.31 116.42 116.95 2bud h ASP 437 Ca 0.14 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 2bud h ASP 437 Cb 0.39 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 2bud h ASP 437 CO 0.01 0.58 -0.00 0.47 -1.72 0.00 0.00 179.24 178.57 2bud n ASP 438 N -4.57 5.53 0.00 6.45 9.92 -1.14 -4.43 116.55 128.32 2bud n ASP 438 Ca 0.16 -2.55 0.00 0.00 -0.53 0.00 0.00 54.79 51.87 2bud n ASP 438 Cb 0.25 -1.18 0.00 0.00 -0.64 0.00 0.00 41.12 39.54 2bud n ASP 438 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2bud n LEU 439 N 1.52 0.00 -1.76 0.64 4.77 -0.87 -4.82 117.00 116.47 2bud n LEU 439 Ca 0.15 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.12 2bud n LEU 439 Cb 0.60 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.73 2bud n LEU 439 CO 0.09 0.00 0.37 0.61 -1.33 0.00 0.00 177.39 177.13 2bud n GLY 440 N -0.00 0.24 1.23 -0.72 0.00 -1.22 -5.07 105.19 99.65 2bud n GLY 440 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.54 -4.22 3.00 -0.02 0.00 -1.24 -4.45 105.19 97.72 2bud n GLY 441 Ca -0.09 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.06 1.84 -3.64 -0.61 2.08 -1.26 -4.21 119.36 112.50 2bud n ILE 442 Ca 0.00 -1.46 -0.09 0.00 0.56 0.00 0.00 62.75 61.76 2bud n ILE 442 Cb 0.04 -2.25 -0.07 0.00 -0.75 0.00 0.00 39.64 36.61 2bud n ILE 442 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 2bud s THR 443 N 4.73 0.00 -0.68 1.39 2.01 -1.26 -5.02 115.64 116.81 2bud s THR 443 Ca 0.53 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 62.45 2bud s THR 443 Cb 0.13 -1.00 -0.19 0.00 0.01 0.00 0.00 72.50 71.45 2bud s THR 443 CO 0.09 0.00 3.29 1.33 -0.69 0.00 0.00 174.62 178.65 2bud n VAL 444 N 2.97 3.49 -2.04 3.82 0.24 -1.26 -3.77 118.33 121.78 2bud n VAL 444 Ca -0.15 -1.92 -0.41 0.00 -2.04 0.00 0.00 64.34 59.82 2bud n VAL 444 Cb 0.56 -2.25 -0.02 0.00 -1.47 0.00 0.00 33.84 30.67 2bud n VAL 444 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 2bud s LEU 445 N 0.07 4.40 0.29 1.34 0.05 -1.26 -4.92 118.68 118.65 2bud s LEU 445 Ca 0.67 2.70 -0.28 0.00 0.05 0.00 0.00 54.13 57.27 2bud s LEU 445 Cb 0.26 -3.64 -0.09 0.00 -2.05 0.00 0.00 46.19 40.66 2bud s LEU 445 CO -0.02 -0.64 0.98 -2.16 -0.55 0.00 0.00 176.35 173.95 2bud s PRO 446 N -1.10 4.67 -0.29 1.48 0.04 -1.26 -4.52 135.00 134.02 2bud s PRO 446 Ca 0.54 1.48 -0.20 0.00 0.04 0.00 0.00 61.00 62.87 2bud s PRO 446 Cb -0.41 -3.03 0.15 0.00 0.04 0.00 0.00 34.50 31.25 2bud s PRO 446 CO 0.49 0.33 1.10 0.00 0.04 0.00 0.00 177.00 178.96 2bud s ALA 447 N -1.37 -2.22 0.27 8.56 0.00 -1.26 -5.08 121.76 120.66 2bud s ALA 447 Ca 0.46 2.00 -0.30 0.00 0.00 0.00 0.00 51.96 54.12 2bud s ALA 447 Cb -0.24 -1.67 -0.12 0.00 0.00 0.00 0.00 23.12 21.09 2bud s ALA 447 CO 0.30 -0.27 1.63 -1.25 0.00 0.00 0.00 175.76 176.17 2bud s PRO 448 N 0.76 4.12 0.13 0.00 0.04 -1.26 -4.66 135.00 134.12 2bud s PRO 448 Ca -0.03 2.59 -0.31 0.00 0.04 0.00 0.00 61.00 63.29 2bud s PRO 448 Cb -0.04 -3.04 -0.10 0.00 0.04 0.00 0.00 34.50 31.37 2bud s PRO 448 CO -0.12 -0.67 1.64 -2.14 0.04 0.00 0.00 177.00 175.76 2bud s PRO 449 N -0.06 4.19 0.22 0.56 0.02 -1.26 -4.97 135.00 133.70 2bud s PRO 449 Ca 0.66 2.39 -0.30 0.00 0.02 0.00 0.00 61.00 63.78 2bud s PRO 449 Cb -0.48 -3.38 -0.09 0.00 0.02 0.00 0.00 34.50 30.58 2bud s PRO 449 CO 0.44 -0.69 1.11 -0.51 -0.33 0.00 0.00 177.00 177.01 2bud s LEU 450 N 1.92 4.52 0.11 -5.54 1.43 -1.26 -4.96 118.68 114.89 2bud s LEU 450 Ca 0.73 2.18 -0.32 0.00 -1.03 0.00 0.00 54.13 55.70 2bud s LEU 450 Cb -0.43 -3.61 -0.11 0.00 0.03 0.00 0.00 46.19 42.07 2bud s LEU 450 CO 0.32 -0.19 1.83 0.00 0.23 0.00 0.00 176.35 178.54 2bud n ALA 451 N 1.85 2.01 -1.00 4.21 0.00 -1.26 -4.99 120.51 121.33 2bud n ALA 451 Ca 0.01 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2bud n ALA 451 Cb 0.45 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.33 2bud n ALA 451 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2bud n PRO 452 N 5.68 2.37 -0.08 0.00 -0.02 -1.26 -4.91 135.00 136.78 2bud n PRO 452 Ca 0.18 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.55 2bud n PRO 452 Cb 0.36 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.80 2bud n PRO 452 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2bud h ASP 453 N 0.00 0.45 0.00 2.55 3.58 -2.07 -3.55 116.42 117.38 2bud h ASP 453 Ca 0.00 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 57.12 2bud h ASP 453 Cb 0.00 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.93 2bud h ASP 453 CO 0.00 0.68 0.00 0.00 -2.88 0.00 0.00 179.24 177.04