#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bud s SER 364 N 0.00 6.59 0.29 1.61 0.15 -1.26 -4.96 113.70 116.12 2bud s SER 364 Ca 0.00 2.54 -0.29 0.00 0.70 0.00 0.00 55.95 58.90 2bud s SER 364 Cb 0.00 -2.57 -0.10 0.00 -1.71 0.00 0.00 66.02 61.64 2bud s SER 364 CO 0.00 -0.87 1.13 -1.38 1.20 0.00 0.00 173.24 173.32 2bud s HIS 365 N 2.16 3.49 -0.04 3.44 0.00 -1.26 -4.95 115.29 118.13 2bud s HIS 365 Ca 0.73 1.65 -0.30 0.00 -3.00 0.00 0.00 55.06 54.14 2bud s HIS 365 Cb -0.41 -3.35 -0.07 0.00 -4.00 0.00 0.00 32.58 24.75 2bud s HIS 365 CO 0.32 -0.77 1.85 -1.64 -1.00 0.00 0.00 174.74 173.50 2bud s MET 366 N -1.50 4.03 0.24 -0.38 1.00 -1.26 -4.96 119.30 116.47 2bud s MET 366 Ca 0.45 2.32 -0.30 0.00 0.00 0.00 0.00 55.69 58.17 2bud s MET 366 Cb -0.33 -4.11 -0.09 0.00 0.00 0.00 0.00 34.83 30.30 2bud s MET 366 CO 0.43 -1.06 1.06 -0.51 0.00 0.00 0.00 175.02 174.94 2bud s ASP 367 N 4.41 7.36 0.00 3.03 1.11 -1.26 -4.92 116.67 126.40 2bud s ASP 367 Ca 0.83 2.13 0.00 0.00 0.18 0.00 0.00 52.55 55.69 2bud s ASP 367 Cb -0.37 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.01 2bud s ASP 367 CO 0.36 -0.10 1.46 -0.81 1.18 0.00 0.00 175.17 177.26 2bud n PRO 368 N 1.66 0.80 -1.03 8.23 -0.04 -1.26 -2.98 135.00 140.38 2bud n PRO 368 Ca -0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 2bud n PRO 368 Cb 0.46 -1.10 -0.03 0.00 -0.04 0.00 0.00 33.50 32.79 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 1.41 -0.18 -2.65 1.53 -0.00 -1.26 -4.93 117.00 110.91 2bud n LEU 369 Ca 0.00 -1.77 -0.05 0.00 -0.00 0.00 0.00 56.01 54.19 2bud n LEU 369 Cb 0.40 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.86 2bud n LEU 369 CO 0.00 1.02 0.58 0.80 -0.00 0.00 0.00 177.39 179.79 2bud n MET 370 N 0.15 0.55 -1.66 1.47 0.00 -1.16 -5.14 117.12 111.33 2bud n MET 370 Ca -0.11 -1.09 -0.46 0.00 0.00 0.00 0.00 57.70 56.04 2bud n MET 370 Cb 0.80 -0.01 -0.03 0.00 0.00 0.00 0.00 33.22 33.98 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 -0.55 2.01 -1.69 2.12 3.00 -1.26 -4.86 117.38 116.14 2bud n GLN 371 Ca -0.18 0.72 -0.44 0.00 -0.01 0.00 0.00 57.00 57.08 2bud n GLN 371 Cb 0.72 -2.40 -0.03 0.00 0.00 0.00 0.00 30.24 28.53 2bud n GLN 371 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2bud n LYS 372 N 2.48 2.32 -2.61 -1.09 4.76 -1.26 -4.18 118.16 118.57 2bud n LYS 372 Ca 0.14 0.83 -0.05 0.00 -2.87 0.00 0.00 58.31 56.36 2bud n LYS 372 Cb 0.30 -2.57 -0.04 0.00 -1.84 0.00 0.00 35.03 30.88 2bud n LYS 372 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2bud n ILE 373 N 2.66-12.03 -3.17 -0.18 5.41 -1.26 -4.95 119.36 105.84 2bud n ILE 373 Ca 0.13 2.62 -0.39 0.00 1.00 0.00 0.00 62.75 66.11 2bud n ILE 373 Cb 0.32 -6.18 -0.05 0.00 -0.71 0.00 0.00 39.64 33.02 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 -0.60 6.84 0.00 4.38 1.01 -1.26 -4.93 116.67 122.10 2bud s ASP 374 Ca -0.24 1.01 0.00 0.00 0.71 0.00 0.00 52.55 54.02 2bud s ASP 374 Cb 0.02 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 41.59 2bud s ASP 374 CO 0.66 -0.07 0.00 -0.38 0.21 0.00 0.00 175.17 175.59 2bud n ILE 375 N 3.77 0.00 -0.29 0.77 5.41 -1.26 -4.54 119.36 123.22 2bud n ILE 375 Ca -0.04 0.00 0.33 0.00 1.00 0.00 0.00 62.75 64.04 2bud n ILE 375 Cb 0.51 -0.79 0.73 0.00 -0.71 0.00 0.00 39.64 39.39 2bud n ILE 375 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 2bud h SER 376 N 0.00 0.02 0.50 4.38 0.87 -1.97 0.40 113.55 117.75 2bud h SER 376 Ca 0.00 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.27 2bud h SER 376 Cb 0.95 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.93 2bud h SER 376 CO 0.00 0.00 -1.30 1.05 -0.53 0.00 0.00 176.83 176.05 2bud h GLU 377 N 0.02 0.37 -1.48 2.24 4.11 -2.00 -3.41 114.58 114.43 2bud h GLU 377 Ca 0.53 -0.61 -0.45 0.00 0.07 0.00 0.00 59.36 58.90 2bud h GLU 377 Cb 2.09 0.23 -0.31 0.00 0.50 0.00 0.00 28.75 31.26 2bud h GLU 377 CO -0.02 1.29 -0.89 0.27 0.07 0.00 0.00 179.01 179.73 2bud n ASN 378 N -3.60 -0.96 -0.10 3.06 2.04 0.10 -4.97 115.26 110.82 2bud n ASN 378 Ca -0.11 -2.82 -0.02 0.00 -0.44 0.00 0.00 54.58 51.19 2bud n ASN 378 Cb 1.04 0.17 0.22 0.00 -2.53 0.00 0.00 39.78 38.68 2bud n ASN 378 CO 0.00 0.00 0.00 1.55 -0.44 0.00 0.00 177.26 178.37 2bud h PRO 379 N 4.31 0.76 -0.09 -0.53 0.13 -0.75 -2.11 132.00 133.72 2bud h PRO 379 Ca 0.04 -0.15 -0.05 0.00 -0.87 0.00 0.00 66.00 64.97 2bud h PRO 379 Cb 0.94 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 2bud h PRO 379 CO 0.38 0.70 -0.16 -0.44 -0.23 0.00 0.00 178.00 178.24 2bud h ASP 380 N 0.74 0.14 -1.82 1.44 3.32 -1.93 -3.45 116.42 114.86 2bud h ASP 380 Ca 0.16 -0.03 -0.66 0.00 0.02 0.00 0.00 57.03 56.52 2bud h ASP 380 Cb 0.28 -0.04 0.06 0.00 0.22 0.00 0.00 39.33 39.86 2bud h ASP 380 CO -0.00 0.32 0.47 1.17 -1.72 0.00 0.00 179.24 179.49 2bud n LYS 381 N -4.27 1.30 -3.20 3.56 4.81 -0.79 -4.94 118.16 114.62 2bud n LYS 381 Ca -0.01 0.47 -0.39 0.00 -0.87 0.00 0.00 58.31 57.51 2bud n LYS 381 Cb 0.27 -2.11 -0.06 0.00 0.02 0.00 0.00 35.03 33.16 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 0.43 4.88 0.03 3.15 -1.09 -1.26 -4.66 121.20 122.67 2bud s ILE 382 Ca 0.82 1.26 0.07 0.00 -2.23 0.00 0.00 60.65 60.57 2bud s ILE 382 Cb -0.90 -3.94 -0.03 0.00 -1.58 0.00 0.00 42.46 36.02 2bud s ILE 382 CO 0.46 0.43 -0.21 -0.31 -1.23 0.00 0.00 174.94 174.09 2bud s TYR 383 N -0.28 2.48 0.21 3.97 1.51 -0.83 -4.92 117.35 119.49 2bud s TYR 383 Ca 0.31 -0.31 -0.14 0.00 -1.01 0.00 0.00 57.07 55.92 2bud s TYR 383 Cb -0.18 -1.46 -0.07 0.00 -0.11 0.00 0.00 41.96 40.13 2bud s TYR 383 CO 0.18 0.18 0.60 -0.06 -1.11 0.00 0.00 175.55 175.34 2bud s PHE 384 N -0.84 3.53 -0.04 2.71 0.40 -1.03 0.13 117.98 122.83 2bud s PHE 384 Ca 0.13 1.08 0.02 0.00 -0.60 0.00 0.00 56.93 57.55 2bud s PHE 384 Cb -0.10 -2.40 0.01 0.00 0.51 0.00 0.00 43.02 41.04 2bud s PHE 384 CO 0.03 0.32 -0.08 0.42 0.70 0.00 0.00 175.22 176.61 2bud s ILE 385 N -1.65 0.77 -0.17 0.64 1.09 0.21 -0.86 121.20 121.23 2bud s ILE 385 Ca 0.44 -0.29 -0.25 0.00 -1.10 0.00 0.00 60.65 59.45 2bud s ILE 385 Cb -0.13 -0.73 -0.02 0.00 -1.06 0.00 0.00 42.46 40.52 2bud s ILE 385 CO 0.20 0.26 0.81 -0.60 -0.10 0.00 0.00 174.94 175.52 2bud s ARG 386 N 0.62 4.29 0.68 2.79 3.52 -0.43 -1.50 118.95 128.92 2bud s ARG 386 Ca -0.10 0.98 -0.08 0.00 -0.13 0.00 0.00 55.73 56.40 2bud s ARG 386 Cb -0.13 -3.58 0.04 0.00 -1.56 0.00 0.00 34.95 29.72 2bud s ARG 386 CO 0.01 -0.32 1.02 1.03 -0.81 0.00 0.00 175.30 176.23 2bud s ARG 387 N 2.14 2.52 0.22 5.12 0.52 -0.97 -4.87 118.95 123.63 2bud s ARG 387 Ca 0.37 0.03 -0.09 0.00 -0.52 0.00 0.00 55.73 55.52 2bud s ARG 387 Cb -0.16 -2.14 0.23 0.00 0.52 0.00 0.00 34.95 33.40 2bud s ARG 387 CO 0.12 -1.08 1.85 1.05 0.02 0.00 0.00 175.30 177.26 2bud h GLU 388 N -0.55 0.89 0.00 3.54 9.09 -1.97 0.12 114.58 125.70 2bud h GLU 388 Ca -0.45 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 58.91 2bud h GLU 388 Cb 1.29 -0.20 0.00 0.00 -1.65 0.00 0.00 28.75 28.19 2bud h GLU 388 CO 0.62 0.59 0.00 -0.40 0.05 0.00 0.00 179.01 179.87 2bud n ASP 389 N -4.64 0.00 -1.98 3.06 5.75 -1.26 -4.81 116.55 112.67 2bud n ASP 389 Ca 0.09 -0.75 -0.10 0.00 -0.01 0.00 0.00 54.79 54.02 2bud n ASP 389 Cb 0.10 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.23 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 -0.01 0.21 3.06 6.12 0.00 0.41 -4.99 105.19 110.00 2bud n GLY 390 Ca 0.06 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.15 2.08 0.21 2.61 -4.23 -1.24 -4.56 115.64 107.36 2bud s THR 391 Ca 0.20 -1.49 -0.30 0.00 -1.18 0.00 0.00 61.69 58.92 2bud s THR 391 Cb -0.09 -2.17 -0.09 0.00 1.34 0.00 0.00 72.50 71.50 2bud s THR 391 CO 0.34 0.05 1.29 -0.69 -0.54 0.00 0.00 174.62 175.06 2bud s VAL 392 N 1.16 3.22 -0.13 2.29 1.01 -1.26 -2.30 120.40 124.39 2bud s VAL 392 Ca -0.07 1.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.83 2bud s VAL 392 Cb -0.19 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.57 2bud s VAL 392 CO -0.06 0.17 0.33 -1.00 0.00 0.00 0.00 175.10 174.54 2bud s HIS 393 N -0.09 -0.37 0.87 5.22 3.76 -0.56 -4.20 115.29 119.92 2bud s HIS 393 Ca 0.55 0.90 -0.13 0.00 -0.15 0.00 0.00 55.06 56.23 2bud s HIS 393 Cb -0.36 0.13 0.06 0.00 1.11 0.00 0.00 32.58 33.52 2bud s HIS 393 CO 0.40 -0.18 0.82 0.54 -0.85 0.00 0.00 174.74 175.47 2bud n ARG 394 N 2.92 -0.10 -3.49 1.40 1.74 -1.26 -0.62 116.66 117.25 2bud n ARG 394 Ca -0.13 0.03 0.03 0.00 -0.77 0.00 0.00 57.85 57.01 2bud n ARG 394 Cb 0.58 -2.13 -0.05 0.00 -1.02 0.00 0.00 32.46 29.83 2bud n ARG 394 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2bud s GLY 395 N -2.09 0.51 -0.05 -0.13 0.00 0.35 -4.02 107.32 101.89 2bud s GLY 395 Ca 0.65 3.77 -0.27 0.00 0.00 0.00 0.00 44.72 48.88 2bud s GLY 395 CO 0.59 2.98 0.84 1.20 0.00 0.00 0.00 173.10 178.71 2bud s GLN 396 N 1.40 4.48 -0.01 2.90 -0.21 -0.59 -1.97 119.66 125.65 2bud s GLN 396 Ca -0.05 1.14 -0.20 0.00 0.02 0.00 0.00 55.36 56.26 2bud s GLN 396 Cb -0.02 -3.46 -0.05 0.00 1.00 0.00 0.00 33.01 30.48 2bud s GLN 396 CO -0.12 -0.03 0.59 0.08 -2.12 0.00 0.00 175.29 173.70 2bud s VAL 397 N 1.03 4.92 0.00 1.09 1.01 -1.26 -0.39 120.40 126.81 2bud s VAL 397 Ca 0.44 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.66 2bud s VAL 397 Cb -0.19 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.26 2bud s VAL 397 CO 0.22 0.41 0.00 0.18 0.00 0.00 0.00 175.10 175.91 2bud n LEU 398 N 2.78 2.53 -4.22 3.92 4.77 -1.04 -4.96 117.00 120.78 2bud n LEU 398 Ca -0.07 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.75 2bud n LEU 398 Cb 0.51 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 2bud n LEU 398 CO 0.44 0.42 -0.10 -1.10 -1.33 0.00 0.00 177.39 175.72 2bud s GLN 399 N -1.99 1.61 -0.04 3.23 -0.21 -1.26 -4.98 119.66 116.02 2bud s GLN 399 Ca 0.00 -1.84 -0.24 0.00 0.02 0.00 0.00 55.36 53.30 2bud s GLN 399 Cb 0.00 0.33 0.05 0.00 1.00 0.00 0.00 33.01 34.39 2bud s GLN 399 CO 0.00 -0.60 0.53 -1.54 -2.12 0.00 0.00 175.29 171.56 2bud s SER 400 N -3.28 -0.47 -0.13 5.90 1.04 -1.26 -0.24 113.70 115.27 2bud s SER 400 Ca 0.38 0.48 -0.09 0.00 0.48 0.00 0.00 55.95 57.19 2bud s SER 400 Cb 0.03 0.47 0.04 0.00 0.10 0.00 0.00 66.02 66.66 2bud s SER 400 CO 0.21 -0.53 0.33 0.00 0.98 0.00 0.00 173.24 174.24 2bud s ARG 401 N -1.20 0.35 -0.03 4.02 1.70 0.34 -4.93 118.95 119.20 2bud s ARG 401 Ca -0.12 0.57 -0.15 0.00 -0.47 0.00 0.00 55.73 55.57 2bud s ARG 401 Cb -0.02 0.05 -0.05 0.00 -0.57 0.00 0.00 34.95 34.36 2bud s ARG 401 CO 0.07 -0.11 0.40 0.95 -1.08 0.00 0.00 175.30 175.53 2bud s THR 402 N 0.78 5.09 0.68 4.99 -4.23 -1.26 -0.41 115.64 121.29 2bud s THR 402 Ca -0.05 0.80 -0.11 0.00 -1.18 0.00 0.00 61.69 61.15 2bud s THR 402 Cb -0.06 -3.70 0.18 0.00 1.34 0.00 0.00 72.50 70.25 2bud s THR 402 CO -0.05 0.54 0.43 0.41 -0.54 0.00 0.00 174.62 175.40 2bud n THR 403 N 2.17 0.00 -0.33 3.99 -1.04 -1.23 -4.70 114.28 113.13 2bud n THR 403 Ca -0.13 -0.04 0.10 0.00 -2.04 0.00 0.00 64.05 61.94 2bud n THR 403 Cb 0.52 -0.56 0.30 0.00 -1.82 0.00 0.00 70.33 68.77 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 0.82 -0.19 -2.82 5.08 -1.98 -1.94 114.58 113.56 2bud h GLU 404 Ca -0.19 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.16 2bud h GLU 404 Cb 0.62 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2bud h GLU 404 CO 0.11 0.54 -0.02 -0.97 -1.00 0.00 0.00 179.01 177.68 2bud h ASN 405 N 0.85 -0.11 -6.02 1.42 -1.24 -1.96 -3.47 115.58 105.05 2bud h ASN 405 Ca 0.50 0.05 -0.40 0.00 0.71 0.00 0.00 56.30 57.16 2bud h ASN 405 Cb 0.65 0.09 0.08 0.00 0.73 0.00 0.00 38.32 39.87 2bud h ASN 405 CO -0.27 -0.03 -0.85 0.00 -1.29 0.00 0.00 177.43 174.99 2bud n ALA 406 N -2.33 -2.17 -1.84 1.57 0.00 -0.73 -4.85 120.51 110.16 2bud n ALA 406 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2bud n ALA 406 Cb 0.11 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 16.77 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 -4.13 1.08 0.00 0.00 0.00 -1.26 -4.98 120.51 111.23 2bud n ALA 407 Ca -0.24 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2bud n ALA 407 Cb 0.66 -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 -1.77 0.00 0.00 -1.26 -4.99 120.51 112.48 2bud n ALA 408 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2bud n ALA 408 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 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 4.23 -0.30 0.00 0.02 -1.26 -5.02 135.00 130.85 2bud s PRO 409 Ca 0.00 2.39 -0.17 0.00 0.02 0.00 0.00 61.00 63.24 2bud s PRO 409 Cb 0.00 -3.02 0.18 0.00 0.02 0.00 0.00 34.50 31.68 2bud s PRO 409 CO 0.00 -0.36 1.12 0.16 -0.33 0.00 0.00 177.00 177.59 2bud s ASP 410 N -0.32 -0.34 -0.10 2.53 -4.77 -1.25 -3.56 116.67 108.86 2bud s ASP 410 Ca 0.51 0.48 0.01 0.00 -3.30 0.00 0.00 52.55 50.25 2bud s ASP 410 Cb -0.43 1.33 -0.02 0.00 -1.09 0.00 0.00 42.92 42.71 2bud s ASP 410 CO 0.58 -0.07 -0.13 -1.61 0.70 0.00 0.00 175.17 174.64 2bud s GLU 411 N 1.99 3.02 -0.19 2.11 8.01 0.46 -2.79 118.70 131.31 2bud s GLU 411 Ca -0.03 -0.68 -0.04 0.00 0.01 0.00 0.00 54.97 54.22 2bud s GLU 411 Cb -0.04 -2.53 -0.02 0.00 -4.31 0.00 0.00 34.13 27.23 2bud s GLU 411 CO -0.16 0.39 -0.02 0.71 0.01 0.00 0.00 175.26 176.19 2bud s TYR 412 N -0.11 3.01 0.37 1.61 1.51 0.75 -0.50 117.35 123.98 2bud s TYR 412 Ca -0.01 -0.52 -0.28 0.00 -1.01 0.00 0.00 57.07 55.24 2bud s TYR 412 Cb -0.14 -2.05 -0.11 0.00 -0.11 0.00 0.00 41.96 39.56 2bud s TYR 412 CO 0.03 -0.25 1.48 -0.47 -1.11 0.00 0.00 175.55 175.23 2bud s TYR 413 N 0.92 2.62 -0.01 2.71 5.04 0.67 -0.73 117.35 128.57 2bud s TYR 413 Ca 0.00 1.16 0.02 0.00 -2.44 0.00 0.00 57.07 55.82 2bud s TYR 413 Cb -0.14 -4.00 0.00 0.00 0.35 0.00 0.00 41.96 38.16 2bud s TYR 413 CO 0.01 -2.95 -0.07 0.54 -1.34 0.00 0.00 175.55 171.74 2bud s VAL 414 N -1.06 0.61 -0.41 3.14 0.11 -1.02 -2.51 120.40 119.26 2bud s VAL 414 Ca 0.53 -0.29 0.04 0.00 -2.93 0.00 0.00 61.98 59.32 2bud s VAL 414 Cb -0.46 -0.54 0.11 0.00 -1.53 0.00 0.00 36.38 33.96 2bud s VAL 414 CO 0.62 0.19 0.13 -2.28 -3.33 0.00 0.00 175.10 170.43 2bud s HIS 415 N 0.05 3.57 0.10 1.54 2.46 0.48 -2.88 115.29 120.61 2bud s HIS 415 Ca -0.00 -3.03 -0.32 0.00 0.47 0.00 0.00 55.06 52.18 2bud s HIS 415 Cb -0.06 -2.91 -0.11 0.00 -0.13 0.00 0.00 32.58 29.37 2bud s HIS 415 CO -0.00 -0.88 1.84 0.66 -2.47 0.00 0.00 174.74 173.89 2bud n TYR 416 N 3.88 2.56 -2.20 3.88 4.02 -1.26 -1.55 117.16 126.50 2bud n TYR 416 Ca 0.04 -0.13 -0.42 0.00 -0.01 0.00 0.00 57.90 57.38 2bud n TYR 416 Cb 0.39 -2.72 -0.03 0.00 -0.02 0.00 0.00 39.34 36.96 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 2.90 3.47 0.00 -0.72 1.01 -1.26 -3.37 120.40 122.43 2bud s VAL 417 Ca 0.83 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.82 2bud s VAL 417 Cb -0.51 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.23 2bud s VAL 417 CO 0.39 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.15 2bud n GLY 418 N 3.53 0.94 3.69 4.51 0.00 -1.26 -4.96 105.19 111.64 2bud n GLY 418 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 4.71 -4.55 0.99 4.32 -1.22 -4.89 117.00 116.36 2bud n LEU 419 Ca 0.00 0.66 -0.43 0.00 -0.02 0.00 0.00 56.01 56.22 2bud n LEU 419 Cb 0.00 -1.51 -0.00 0.00 -1.62 0.00 0.00 43.42 40.29 2bud n LEU 419 CO 0.00 -1.56 0.43 -0.46 -1.22 0.00 0.00 177.39 174.58 2bud n ASN 420 N -2.64 0.66 -0.16 -1.43 2.04 -1.26 -4.87 115.26 107.61 2bud n ASN 420 Ca 0.14 1.08 0.00 0.00 -0.44 0.00 0.00 54.58 55.37 2bud n ASN 420 Cb 0.50 -1.25 0.27 0.00 -2.53 0.00 0.00 39.78 36.77 2bud n ASN 420 CO 0.00 0.00 0.00 0.03 -0.44 0.00 0.00 177.26 176.85 2bud h ARG 421 N 1.55 0.87 -0.57 -3.83 2.47 -1.92 -2.13 114.38 110.82 2bud h ARG 421 Ca -0.40 -0.08 0.17 0.00 -1.26 0.00 0.00 59.98 58.41 2bud h ARG 421 Cb 1.36 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 29.47 2bud h ARG 421 CO 0.57 0.62 0.44 0.07 0.56 0.00 0.00 179.97 182.24 2bud h ARG 422 N 0.88 0.00 -0.27 0.04 -0.00 -2.01 0.19 114.38 113.22 2bud h ARG 422 Ca 0.23 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 60.17 2bud h ARG 422 Cb -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 29.93 2bud h ARG 422 CO -0.04 0.00 0.00 1.25 -0.00 0.00 0.00 179.97 181.18 2bud h LEU 423 N 0.00 0.37 -9.19 0.08 5.85 -1.73 -3.44 115.31 107.25 2bud h LEU 423 Ca 0.27 -0.06 -0.69 0.00 0.84 0.00 0.00 57.88 58.24 2bud h LEU 423 Cb 1.16 -0.10 0.07 0.00 0.37 0.00 0.00 40.66 42.16 2bud h LEU 423 CO -0.00 0.43 0.12 0.47 -0.34 0.00 0.00 178.44 179.12 2bud n ASP 424 N -4.32 0.64 0.00 1.25 8.00 0.68 -4.94 116.55 117.85 2bud n ASP 424 Ca 0.01 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.65 2bud n ASP 424 Cb 0.21 -1.10 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 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 1.93 1.53 3.74 0.44 0.00 -1.14 -5.04 105.19 106.65 2bud n GLY 425 Ca 0.17 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.00 3.21 0.02 1.61 0.52 -1.26 -2.45 118.94 118.59 2bud s TRP 426 Ca 0.00 1.15 0.06 0.00 0.02 0.00 0.00 56.10 57.33 2bud s TRP 426 Cb 0.00 -3.65 -0.02 0.00 -1.15 0.00 0.00 33.47 28.65 2bud s TRP 426 CO 0.00 -2.08 -0.17 0.14 0.02 0.00 0.00 176.95 174.85 2bud s VAL 427 N 0.20 1.38 0.52 4.03 -7.23 0.09 -4.89 120.40 114.50 2bud s VAL 427 Ca 0.58 -0.94 -0.21 0.00 -1.81 0.00 0.00 61.98 59.61 2bud s VAL 427 Cb -0.38 -1.19 -0.08 0.00 0.56 0.00 0.00 36.38 35.30 2bud s VAL 427 CO 0.38 0.23 0.84 0.61 -0.31 0.00 0.00 175.10 176.86 2bud n GLY 428 N 2.22 -0.65 0.32 2.32 0.00 -1.26 -0.18 105.19 107.96 2bud n GLY 428 Ca -0.16 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 0.81 0.64 -0.20 1.61 9.65 -1.86 0.82 114.38 125.84 2bud h ARG 429 Ca -0.46 -0.04 0.06 0.00 -1.10 0.00 0.00 59.98 58.44 2bud h ARG 429 Cb 1.37 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.79 2bud h ARG 429 CO 0.52 0.42 0.21 1.12 2.80 0.00 0.00 179.97 185.05 2bud h HIS 430 N 0.66 0.00 0.12 2.20 2.07 -1.89 -1.83 115.15 116.48 2bud h HIS 430 Ca 0.49 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 57.72 2bud h HIS 430 Cb 0.70 0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.71 2bud h HIS 430 CO -0.08 0.00 -1.19 0.00 -3.07 0.00 0.00 177.93 173.60 2bud h ARG 431 N 0.00 0.60 -6.14 5.12 3.08 -1.16 -3.45 114.38 112.43 2bud h ARG 431 Ca 0.10 -0.80 -0.57 0.00 0.07 0.00 0.00 59.98 58.78 2bud h ARG 431 Cb 0.52 0.26 -0.05 0.00 0.08 0.00 0.00 29.97 30.79 2bud h ARG 431 CO -0.00 1.36 -0.01 0.42 -1.07 0.00 0.00 179.97 180.67 2bud s ILE 432 N -2.95 4.84 -0.27 2.04 1.01 -0.69 -1.32 121.20 123.87 2bud s ILE 432 Ca -0.10 1.26 -0.25 0.00 0.00 0.00 0.00 60.65 61.56 2bud s ILE 432 Cb 0.05 -3.93 0.08 0.00 0.01 0.00 0.00 42.46 38.67 2bud s ILE 432 CO 0.92 0.46 0.77 -0.44 0.00 0.00 0.00 174.94 176.65 2bud s SER 433 N -0.48 -0.70 0.00 3.58 0.01 -0.04 -4.89 113.70 111.18 2bud s SER 433 Ca 0.31 1.35 0.00 0.00 1.31 0.00 0.00 55.95 58.92 2bud s SER 433 Cb -0.19 1.37 0.00 0.00 0.21 0.00 0.00 66.02 67.41 2bud s SER 433 CO 0.18 -0.23 0.58 -0.90 0.41 0.00 0.00 173.24 173.28 2bud n ASP 434 N 2.66 0.51 -3.77 2.44 5.75 -1.26 -2.47 116.55 120.41 2bud n ASP 434 Ca -0.14 -1.67 -0.25 0.00 -0.01 0.00 0.00 54.79 52.72 2bud n ASP 434 Cb 0.55 -0.26 -0.17 0.00 -1.03 0.00 0.00 41.12 40.22 2bud n ASP 434 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2bud s ASN 435 N -0.55 2.17 0.16 -1.12 -0.87 -1.26 -4.96 114.94 108.51 2bud s ASN 435 Ca 0.00 -0.40 -0.13 0.00 -1.57 0.00 0.00 52.86 50.76 2bud s ASN 435 Cb 0.00 -0.54 0.05 0.00 -0.02 0.00 0.00 41.25 40.74 2bud s ASN 435 CO 0.00 -0.23 1.71 0.00 -2.57 0.00 0.00 177.10 176.01 2bud h ALA 436 N 8.28 0.69 -0.93 0.60 0.00 -1.88 -2.90 119.26 123.12 2bud h ALA 436 Ca -0.19 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.62 2bud h ALA 436 Cb 1.12 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 2bud h ALA 436 CO 0.30 0.31 0.59 -0.44 0.00 0.00 0.00 179.25 180.02 2bud h ASP 437 N 0.72 0.93 -0.24 0.00 3.32 -1.96 -2.23 116.42 116.97 2bud h ASP 437 Ca 0.18 0.02 -0.20 0.00 0.02 0.00 0.00 57.03 57.04 2bud h ASP 437 Cb 0.21 -0.18 -0.08 0.00 0.22 0.00 0.00 39.33 39.50 2bud h ASP 437 CO -0.01 0.59 -0.02 0.47 -1.72 0.00 0.00 179.24 178.55 2bud n ASP 438 N -4.57 5.66 0.00 6.45 8.00 -1.10 -3.58 116.55 127.42 2bud n ASP 438 Ca 0.14 -2.66 0.00 0.00 0.71 0.00 0.00 54.79 52.98 2bud n ASP 438 Cb 0.19 -1.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.05 2bud n ASP 438 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2bud n LEU 439 N 1.59 0.00 0.00 0.64 4.77 -0.86 -4.92 117.00 118.22 2bud n LEU 439 Ca 0.28 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2bud n LEU 439 Cb 0.68 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 2bud n LEU 439 CO 0.16 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 2bud n GLY 440 N -0.69 0.00 7.00 -0.72 0.00 -1.06 -4.81 105.19 104.91 2bud n GLY 440 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 3.29 2.42 -0.02 0.00 -1.16 -3.63 105.19 106.09 2bud n GLY 441 Ca 0.00 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 1.34 -3.85 -0.61 2.08 -1.26 -4.39 119.36 112.67 2bud n ILE 442 Ca 0.00 -4.79 -0.26 0.00 0.56 0.00 0.00 62.75 58.26 2bud n ILE 442 Cb 0.00 -2.05 0.02 0.00 -0.75 0.00 0.00 39.64 36.86 2bud n ILE 442 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 2bud n THR 443 N 1.22 -3.16 -3.66 1.39 -1.04 -1.24 -4.95 114.28 102.84 2bud n THR 443 Ca 0.27 -0.29 -0.10 0.00 -2.04 0.00 0.00 64.05 61.89 2bud n THR 443 Cb 0.44 -3.13 -0.10 0.00 -1.82 0.00 0.00 70.33 65.71 2bud n THR 443 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2bud s VAL 444 N -3.56 -0.53 -0.11 12.58 1.01 -1.25 -4.94 120.40 123.60 2bud s VAL 444 Ca 0.29 0.18 -0.18 0.00 0.00 0.00 0.00 61.98 62.27 2bud s VAL 444 Cb -0.14 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 2bud s VAL 444 CO 0.84 0.08 0.49 -0.76 0.00 0.00 0.00 175.10 175.74 2bud s LEU 445 N 2.43 4.29 0.07 3.92 2.01 -1.26 -4.70 118.68 125.44 2bud s LEU 445 Ca -0.02 0.85 -0.31 0.00 0.01 0.00 0.00 54.13 54.66 2bud s LEU 445 Cb -0.12 -2.71 -0.08 0.00 0.01 0.00 0.00 46.19 43.29 2bud s LEU 445 CO -0.12 0.01 1.50 -2.16 1.01 0.00 0.00 176.35 176.59 2bud s PRO 446 N 0.54 4.26 -0.96 1.29 0.04 -1.26 -3.66 135.00 135.25 2bud s PRO 446 Ca 0.27 2.16 -0.09 0.00 0.04 0.00 0.00 61.00 63.38 2bud s PRO 446 Cb -0.15 -3.44 -0.02 0.00 0.04 0.00 0.00 34.50 30.93 2bud s PRO 446 CO 0.11 -0.59 0.77 0.00 0.04 0.00 0.00 177.00 177.32 2bud n ALA 447 N 4.88 -2.56 -2.23 8.56 0.00 -1.26 -4.91 120.51 122.99 2bud n ALA 447 Ca 0.14 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 2bud n ALA 447 Cb 0.42 -3.26 -0.03 0.00 0.00 0.00 0.00 19.45 16.58 2bud n ALA 447 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2bud s PRO 448 N -4.59 4.36 -0.56 0.00 0.04 -1.24 -4.91 135.00 128.10 2bud s PRO 448 Ca 0.27 1.98 -0.07 0.00 0.04 0.00 0.00 61.00 63.22 2bud s PRO 448 Cb -0.07 -3.27 -0.18 0.00 0.04 0.00 0.00 34.50 31.02 2bud s PRO 448 CO 0.81 -0.36 3.09 -0.35 0.04 0.00 0.00 177.00 180.23 2bud n PRO 449 N 3.82 2.37 -3.57 0.56 -0.04 -1.26 -4.71 135.00 132.16 2bud n PRO 449 Ca 0.10 -1.32 -0.02 0.00 -0.04 0.00 0.00 63.50 62.22 2bud n PRO 449 Cb 0.44 -2.24 -0.05 0.00 -0.04 0.00 0.00 33.50 31.60 2bud n PRO 449 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2bud s LEU 450 N 0.06 -0.78 0.31 1.53 0.20 -1.26 -5.16 118.68 113.57 2bud s LEU 450 Ca 0.61 1.15 -0.28 0.00 0.69 0.00 0.00 54.13 56.30 2bud s LEU 450 Cb 0.24 1.99 -0.09 0.00 -0.43 0.00 0.00 46.19 47.90 2bud s LEU 450 CO -0.02 -0.17 1.03 0.00 -0.29 0.00 0.00 176.35 176.90 2bud s ALA 451 N 2.13 3.28 0.64 5.97 0.00 -1.26 -5.06 121.76 127.46 2bud s ALA 451 Ca -0.07 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.62 2bud s ALA 451 Cb -0.07 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2bud s ALA 451 CO -0.18 -0.04 0.00 -2.30 0.00 0.00 0.00 175.76 173.24 2bud n PRO 452 N 0.83 2.42 -0.04 0.00 -0.02 -1.26 -4.84 135.00 132.09 2bud n PRO 452 Ca 0.01 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.39 2bud n PRO 452 Cb 0.47 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.92 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 0.13 0.00 2.55 1.82 -2.09 -3.57 116.42 115.26 2bud h ASP 453 Ca 0.00 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2bud h ASP 453 Cb 0.00 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.00 2bud h ASP 453 CO 0.00 0.10 0.00 1.67 -1.61 0.00 0.00 179.24 179.40