#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 -3.52 -4.75 1.61 7.64 -1.26 -4.90 113.62 108.45 2bud n SER 364 Ca 0.00 -0.70 -0.42 0.00 1.01 0.00 0.00 58.87 58.76 2bud n SER 364 Cb 0.00 -4.49 -0.01 0.00 -1.01 0.00 0.00 64.21 58.70 2bud n SER 364 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2bud n HIS 365 N -4.52 2.81 -1.67 1.43 -0.00 -1.26 -4.87 115.22 107.14 2bud n HIS 365 Ca -0.14 0.33 -0.43 0.00 -0.00 0.00 0.00 57.72 57.48 2bud n HIS 365 Cb 0.61 -2.56 -0.03 0.00 -0.00 0.00 0.00 29.99 28.01 2bud n HIS 365 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2bud n MET 366 N 1.62 2.74 -2.70 1.57 0.00 -1.26 -4.95 117.12 114.14 2bud n MET 366 Ca 0.07 1.00 -0.40 0.00 0.00 0.00 0.00 57.70 58.37 2bud n MET 366 Cb 0.37 -2.92 -0.05 0.00 0.00 0.00 0.00 33.22 30.61 2bud n MET 366 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2bud s ASP 367 N 3.79 7.56 0.00 7.83 1.01 -1.26 -4.94 116.67 130.66 2bud s ASP 367 Ca 0.87 1.98 -0.01 0.00 0.71 0.00 0.00 52.55 56.10 2bud s ASP 367 Cb -0.49 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 40.77 2bud s ASP 367 CO 0.42 0.07 2.37 -0.81 0.21 0.00 0.00 175.17 177.43 2bud n PRO 368 N 1.64 1.23 0.00 8.23 -0.04 -1.26 -3.64 135.00 141.16 2bud n PRO 368 Ca -0.01 -0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.21 2bud n PRO 368 Cb 0.47 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 1.75 0.00 -3.58 1.53 0.00 -1.26 -4.99 117.00 110.44 2bud n LEU 369 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 56.01 55.72 2bud n LEU 369 Cb 0.59 0.19 0.01 0.00 0.00 0.00 0.00 43.42 44.22 2bud n LEU 369 CO 0.03 -0.19 1.24 0.80 0.00 0.00 0.00 177.39 179.26 2bud n MET 370 N -2.11 5.06 -1.50 1.96 1.56 -1.25 -4.97 117.12 115.88 2bud n MET 370 Ca 0.00 -4.68 -0.42 0.00 -0.27 0.00 0.00 57.70 52.32 2bud n MET 370 Cb 0.00 -2.44 -0.07 0.00 2.15 0.00 0.00 33.22 32.85 2bud n MET 370 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 2bud n GLN 371 N 0.05 0.83 -3.93 2.12 3.00 -1.24 -2.47 117.38 115.75 2bud n GLN 371 Ca 0.43 0.12 -0.40 0.00 -0.01 0.00 0.00 57.00 57.14 2bud n GLN 371 Cb 0.28 -2.63 0.02 0.00 0.00 0.00 0.00 30.24 27.92 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 8.60 -0.77 -1.64 -1.09 5.02 -1.26 -4.47 118.16 122.56 2bud n LYS 372 Ca 0.45 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 2bud n LYS 372 Cb 0.31 -3.26 0.00 0.00 -0.02 0.00 0.00 35.03 32.06 2bud n LYS 372 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2bud n ILE 373 N -4.68 -5.21 -2.78 -0.18 5.41 -1.03 -4.75 119.36 106.14 2bud n ILE 373 Ca -0.12 2.35 -0.44 0.00 1.00 0.00 0.00 62.75 65.54 2bud n ILE 373 Cb 0.58 -3.18 0.00 0.00 -0.71 0.00 0.00 39.64 36.34 2bud n ILE 373 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2bud n ASP 374 N 0.23 5.19 -0.33 4.38 8.00 -1.26 -4.84 116.55 127.92 2bud n ASP 374 Ca 0.00 -3.01 0.15 0.00 0.71 0.00 0.00 54.79 52.64 2bud n ASP 374 Cb 0.00 -1.55 0.35 0.00 -0.02 0.00 0.00 41.12 39.90 2bud n ASP 374 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2bud h ILE 375 N 4.41 0.51 -0.17 0.53 2.04 -1.91 -3.31 117.51 119.62 2bud h ILE 375 Ca 0.34 -0.17 -0.34 0.00 1.00 0.00 0.00 64.86 65.69 2bud h ILE 375 Cb 0.81 -0.03 0.03 0.00 -0.74 0.00 0.00 36.82 36.88 2bud h ILE 375 CO 1.35 0.09 1.03 -1.54 0.00 0.00 0.00 178.15 179.09 2bud n SER 376 N -4.95 2.02 0.00 1.72 3.41 -1.26 -2.21 113.62 112.34 2bud n SER 376 Ca 0.25 -2.59 0.00 0.00 -0.26 0.00 0.00 58.87 56.26 2bud n SER 376 Cb 0.70 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 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 7.94 0.00 -2.82 4.33 0.28 -1.25 -5.03 120.64 124.10 2bud n GLU 377 Ca 0.45 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 57.34 2bud n GLU 377 Cb 0.45 0.00 0.06 0.00 1.43 0.00 0.00 31.44 33.37 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 -0.10 -1.87 -0.33 -1.84 5.03 -0.94 -5.00 115.26 110.21 2bud n ASN 378 Ca 0.00 -3.49 0.08 0.00 0.87 0.00 0.00 54.58 52.05 2bud n ASN 378 Cb 0.00 1.43 0.25 0.00 -1.02 0.00 0.00 39.78 40.44 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 3.23 0.79 -0.14 3.52 0.11 -1.88 -1.45 132.00 136.18 2bud h PRO 379 Ca -0.07 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.85 2bud h PRO 379 Cb 1.06 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 2bud h PRO 379 CO 0.24 0.52 -0.53 -0.44 -0.21 0.00 0.00 178.00 177.58 2bud h ASP 380 N 0.81 0.44 -1.25 -2.05 3.32 -1.94 -3.42 116.42 112.33 2bud h ASP 380 Ca 0.50 -0.23 -0.75 0.00 0.02 0.00 0.00 57.03 56.57 2bud h ASP 380 Cb 0.63 -0.13 0.05 0.00 0.22 0.00 0.00 39.33 40.10 2bud h ASP 380 CO -0.32 0.88 0.22 1.17 -1.72 0.00 0.00 179.24 179.48 2bud n LYS 381 N -3.95 0.42 -2.76 3.56 4.81 -0.55 -4.87 118.16 114.83 2bud n LYS 381 Ca -0.02 0.15 -0.42 0.00 -0.87 0.00 0.00 58.31 57.15 2bud n LYS 381 Cb 0.58 -1.71 -0.03 0.00 0.02 0.00 0.00 35.03 33.89 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 0.26 4.79 -0.05 3.15 -1.09 -1.26 -4.51 121.20 122.49 2bud s ILE 382 Ca 0.89 1.89 -0.03 0.00 -2.23 0.00 0.00 60.65 61.16 2bud s ILE 382 Cb -1.16 -4.25 -0.04 0.00 -1.58 0.00 0.00 42.46 35.44 2bud s ILE 382 CO 0.54 -0.04 0.12 -0.31 -1.23 0.00 0.00 174.94 174.02 2bud s TYR 383 N 2.39 3.45 0.05 3.97 1.51 -0.76 -4.90 117.35 123.06 2bud s TYR 383 Ca 0.43 0.35 -0.19 0.00 -1.01 0.00 0.00 57.07 56.65 2bud s TYR 383 Cb -0.17 -1.83 -0.06 0.00 -0.11 0.00 0.00 41.96 39.79 2bud s TYR 383 CO 0.13 0.63 0.55 -0.06 -1.11 0.00 0.00 175.55 175.68 2bud s PHE 384 N -1.15 3.78 -0.04 2.71 0.40 -1.14 -0.01 117.98 122.53 2bud s PHE 384 Ca 0.21 1.22 0.02 0.00 -0.60 0.00 0.00 56.93 57.78 2bud s PHE 384 Cb -0.12 -2.48 0.01 0.00 0.51 0.00 0.00 43.02 40.94 2bud s PHE 384 CO 0.11 0.56 -0.09 0.42 0.70 0.00 0.00 175.22 176.92 2bud s ILE 385 N -0.96 0.81 -0.23 0.64 1.09 -0.70 -1.20 121.20 120.64 2bud s ILE 385 Ca 0.28 -0.34 -0.20 0.00 -1.10 0.00 0.00 60.65 59.30 2bud s ILE 385 Cb -0.19 -0.74 -0.02 0.00 -1.06 0.00 0.00 42.46 40.45 2bud s ILE 385 CO 0.18 0.26 0.59 -0.60 -0.10 0.00 0.00 174.94 175.27 2bud s ARG 386 N 0.43 4.14 0.79 2.79 6.06 -0.11 -1.30 118.95 131.75 2bud s ARG 386 Ca -0.07 0.50 -0.11 0.00 -2.50 0.00 0.00 55.73 53.54 2bud s ARG 386 Cb -0.11 -3.61 0.07 0.00 0.06 0.00 0.00 34.95 31.35 2bud s ARG 386 CO 0.01 -0.31 1.09 1.03 -2.50 0.00 0.00 175.30 174.63 2bud s ARG 387 N 2.15 2.12 0.15 5.12 1.81 -0.82 -4.81 118.95 124.66 2bud s ARG 387 Ca 0.25 0.69 -0.16 0.00 -1.72 0.00 0.00 55.73 54.80 2bud s ARG 387 Cb -0.16 -1.92 0.02 0.00 -0.45 0.00 0.00 34.95 32.45 2bud s ARG 387 CO 0.09 -1.61 1.77 0.93 -0.68 0.00 0.00 175.30 175.80 2bud h GLU 388 N -1.08 0.60 0.00 3.54 3.07 -1.97 -0.33 114.58 118.41 2bud h GLU 388 Ca -0.47 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.33 2bud h GLU 388 Cb 1.26 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 2bud h GLU 388 CO 0.59 0.46 0.00 -0.40 -1.40 0.00 0.00 179.01 178.26 2bud n ASP 389 N -4.72 0.35 -0.27 1.42 5.75 -1.26 -4.80 116.55 113.02 2bud n ASP 389 Ca 0.01 0.65 0.00 0.00 -0.01 0.00 0.00 54.79 55.44 2bud n ASP 389 Cb 0.07 -0.70 0.00 0.00 -1.03 0.00 0.00 41.12 39.46 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 -1.18 0.89 3.05 6.12 0.00 -0.13 -5.09 105.19 108.86 2bud n GLY 390 Ca -0.00 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.37 1.99 0.21 2.61 -4.23 -1.24 -4.84 115.64 107.77 2bud s THR 391 Ca 0.00 -1.36 -0.30 0.00 -1.18 0.00 0.00 61.69 58.85 2bud s THR 391 Cb 0.00 -2.05 -0.09 0.00 1.34 0.00 0.00 72.50 71.70 2bud s THR 391 CO 0.00 0.10 1.35 -0.69 -0.54 0.00 0.00 174.62 174.84 2bud s VAL 392 N 1.22 3.07 -0.13 2.29 1.01 -1.26 -1.94 120.40 124.65 2bud s VAL 392 Ca -0.05 0.87 -0.11 0.00 0.00 0.00 0.00 61.98 62.70 2bud s VAL 392 Cb -0.18 -3.56 0.04 0.00 0.00 0.00 0.00 36.38 32.68 2bud s VAL 392 CO -0.07 0.13 0.35 -1.00 0.00 0.00 0.00 175.10 174.50 2bud s HIS 393 N 0.16 -0.41 0.71 5.22 3.76 -0.42 -4.54 115.29 119.77 2bud s HIS 393 Ca 0.58 0.97 -0.16 0.00 -0.15 0.00 0.00 55.06 56.30 2bud s HIS 393 Cb -0.38 0.14 0.03 0.00 1.11 0.00 0.00 32.58 33.48 2bud s HIS 393 CO 0.39 -0.21 1.25 1.03 -0.85 0.00 0.00 174.74 176.35 2bud s ARG 394 N 0.46 2.21 -0.29 1.40 0.52 -1.26 -1.72 118.95 120.27 2bud s ARG 394 Ca -0.02 1.91 -0.16 0.00 -0.52 0.00 0.00 55.73 56.94 2bud s ARG 394 Cb -0.04 -1.82 0.16 0.00 0.52 0.00 0.00 34.95 33.77 2bud s ARG 394 CO -0.02 -1.82 1.03 0.20 0.02 0.00 0.00 175.30 174.70 2bud s GLY 395 N -1.74 0.02 0.02 -3.53 0.00 0.99 -3.02 107.32 100.05 2bud s GLY 395 Ca 0.78 3.21 -0.30 0.00 0.00 0.00 0.00 44.72 48.41 2bud s GLY 395 CO 0.44 2.86 1.02 1.20 0.00 0.00 0.00 173.10 178.62 2bud s GLN 396 N 1.71 4.54 -0.22 2.90 -0.21 -0.97 -1.82 119.66 125.59 2bud s GLN 396 Ca -0.06 1.49 -0.11 0.00 0.02 0.00 0.00 55.36 56.70 2bud s GLN 396 Cb -0.04 -3.43 -0.05 0.00 1.00 0.00 0.00 33.01 30.49 2bud s GLN 396 CO -0.15 -0.08 0.20 0.54 -2.12 0.00 0.00 175.29 173.67 2bud s VAL 397 N 0.99 5.35 -0.07 1.09 0.11 -1.26 -0.31 120.40 126.29 2bud s VAL 397 Ca 0.53 0.29 -0.02 0.00 -2.93 0.00 0.00 61.98 59.85 2bud s VAL 397 Cb -0.23 -3.54 -0.03 0.00 -1.53 0.00 0.00 36.38 31.05 2bud s VAL 397 CO 0.28 0.36 -0.08 0.18 -3.33 0.00 0.00 175.10 172.51 2bud n LEU 398 N 4.04 1.19 -4.55 2.54 7.99 -1.14 -4.82 117.00 122.25 2bud n LEU 398 Ca -0.14 0.05 -0.26 0.00 -0.01 0.00 0.00 56.01 55.65 2bud n LEU 398 Cb 0.52 -0.21 -0.09 0.00 -0.11 0.00 0.00 43.42 43.53 2bud n LEU 398 CO 0.37 0.27 -0.22 -1.10 -1.51 0.00 0.00 177.39 175.20 2bud s GLN 399 N -2.13 1.93 -0.25 3.23 -0.21 -1.26 -4.98 119.66 115.99 2bud s GLN 399 Ca -0.09 -2.17 -0.26 0.00 0.02 0.00 0.00 55.36 52.86 2bud s GLN 399 Cb 0.03 -0.84 0.11 0.00 1.00 0.00 0.00 33.01 33.31 2bud s GLN 399 CO 0.13 -0.40 0.92 -1.54 -2.12 0.00 0.00 175.29 172.29 2bud s SER 400 N -3.63 -0.53 -0.05 5.90 1.04 -1.26 -0.39 113.70 114.78 2bud s SER 400 Ca 0.23 0.95 -0.03 0.00 0.48 0.00 0.00 55.95 57.58 2bud s SER 400 Cb 0.04 0.94 0.02 0.00 0.10 0.00 0.00 66.02 67.12 2bud s SER 400 CO 0.13 -0.23 0.11 0.00 0.98 0.00 0.00 173.24 174.23 2bud s ARG 401 N 0.00 0.10 -0.06 4.02 1.70 -0.12 -4.95 118.95 119.64 2bud s ARG 401 Ca 0.01 0.24 -0.00 0.00 -0.47 0.00 0.00 55.73 55.50 2bud s ARG 401 Cb -0.04 -0.06 0.04 0.00 -0.57 0.00 0.00 34.95 34.32 2bud s ARG 401 CO -0.02 -0.09 2.02 0.25 -1.08 0.00 0.00 175.30 176.38 2bud n THR 402 N 3.59 2.17 -2.08 4.99 -2.24 -1.26 -0.56 114.28 118.89 2bud n THR 402 Ca -0.19 -0.75 0.03 0.00 -2.27 0.00 0.00 64.05 60.87 2bud n THR 402 Cb 0.55 -1.47 -0.01 0.00 -2.10 0.00 0.00 70.33 67.30 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 1.28 0.00 -0.02 4.28 -1.04 -1.26 -3.83 114.28 113.69 2bud n THR 403 Ca 0.07 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.98 2bud n THR 403 Cb 0.52 -0.08 -0.04 0.00 -1.82 0.00 0.00 70.33 68.91 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 -0.00 -5.96 -2.82 5.08 -1.97 -3.38 114.58 105.53 2bud h GLU 404 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 2bud h GLU 404 Cb 0.21 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.38 2bud h GLU 404 CO 0.00 -0.00 0.58 1.21 -1.00 0.00 0.00 179.01 179.80 2bud s ASN 405 N -5.20 6.82 -1.08 1.42 2.47 -1.25 -4.98 114.94 113.14 2bud s ASN 405 Ca -0.13 0.92 -0.06 0.00 0.42 0.00 0.00 52.86 54.01 2bud s ASN 405 Cb 0.09 -2.46 0.28 0.00 -1.45 0.00 0.00 41.25 37.71 2bud s ASN 405 CO 0.68 -0.67 1.20 0.00 -3.72 0.00 0.00 177.10 174.58 2bud n ALA 406 N 6.36 4.49 -1.93 1.71 0.00 -1.25 -3.93 120.51 125.96 2bud n ALA 406 Ca 0.07 -4.71 0.00 0.00 0.00 0.00 0.00 53.44 48.80 2bud n ALA 406 Cb 0.47 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.60 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 2.17 0.99 0.00 0.00 0.00 -1.26 -5.00 120.51 117.40 2bud n ALA 407 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2bud n ALA 407 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.27 0.00 0.00 -1.26 -5.13 120.51 112.85 2bud n ALA 408 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 2bud n ALA 408 Cb 0.48 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.03 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 -2.20 0.40 -3.65 0.00 -0.02 -1.25 -5.04 135.00 123.24 2bud n PRO 409 Ca 0.00 0.20 0.02 0.00 -2.02 0.00 0.00 63.50 61.70 2bud n PRO 409 Cb 0.00 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.16 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 -1.77 -0.06 -0.02 2.55 -4.77 -1.26 -4.21 116.67 107.13 2bud s ASP 410 Ca 0.73 0.10 0.01 0.00 -3.30 0.00 0.00 52.55 50.09 2bud s ASP 410 Cb -0.33 0.95 0.01 0.00 -1.09 0.00 0.00 42.92 42.47 2bud s ASP 410 CO 0.51 -0.02 -0.03 -1.61 0.70 0.00 0.00 175.17 174.73 2bud s GLU 411 N 0.96 0.39 -0.14 2.11 8.01 0.28 -3.99 118.70 126.31 2bud s GLU 411 Ca -0.07 -0.07 -0.02 0.00 0.01 0.00 0.00 54.97 54.82 2bud s GLU 411 Cb -0.02 -0.44 -0.02 0.00 -4.31 0.00 0.00 34.13 29.33 2bud s GLU 411 CO -0.10 -0.01 -0.07 0.71 0.01 0.00 0.00 175.26 175.80 2bud s TYR 412 N 0.40 2.95 0.39 1.61 1.51 -0.36 -0.94 117.35 122.91 2bud s TYR 412 Ca -0.04 -0.42 -0.27 0.00 -1.01 0.00 0.00 57.07 55.33 2bud s TYR 412 Cb -0.07 -1.91 -0.09 0.00 -0.11 0.00 0.00 41.96 39.77 2bud s TYR 412 CO -0.01 -0.09 1.34 -0.47 -1.11 0.00 0.00 175.55 175.21 2bud s TYR 413 N 0.33 2.83 -0.21 2.71 5.04 0.48 -1.79 117.35 126.72 2bud s TYR 413 Ca -0.06 1.37 -0.04 0.00 -2.44 0.00 0.00 57.07 55.90 2bud s TYR 413 Cb -0.15 -3.73 0.11 0.00 0.35 0.00 0.00 41.96 38.53 2bud s TYR 413 CO 0.04 -2.20 0.29 0.54 -1.34 0.00 0.00 175.55 172.88 2bud s VAL 414 N -1.21 -0.44 -0.93 3.14 0.11 -0.57 -2.87 120.40 117.62 2bud s VAL 414 Ca 0.54 -0.07 -0.20 0.00 -2.93 0.00 0.00 61.98 59.32 2bud s VAL 414 Cb -0.40 -0.71 0.10 0.00 -1.53 0.00 0.00 36.38 33.84 2bud s VAL 414 CO 0.52 -0.15 1.21 -2.28 -3.33 0.00 0.00 175.10 171.08 2bud s HIS 415 N 2.42 2.90 0.10 1.54 2.46 0.57 -3.45 115.29 121.82 2bud s HIS 415 Ca 0.09 -1.14 -0.35 0.00 0.47 0.00 0.00 55.06 54.12 2bud s HIS 415 Cb -0.15 -4.41 -0.15 0.00 -0.13 0.00 0.00 32.58 27.74 2bud s HIS 415 CO -0.13 -1.64 1.54 0.66 -2.47 0.00 0.00 174.74 172.69 2bud n TYR 416 N 7.37 2.04 -2.36 3.88 4.02 -1.26 -2.28 117.16 128.56 2bud n TYR 416 Ca 0.24 0.37 -0.42 0.00 -0.01 0.00 0.00 57.90 58.08 2bud n TYR 416 Cb 0.49 -2.49 -0.03 0.00 -0.02 0.00 0.00 39.34 37.30 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 1.17 3.94 0.00 -0.72 1.01 -1.17 -3.70 120.40 120.94 2bud s VAL 417 Ca 0.83 1.36 0.00 0.00 0.00 0.00 0.00 61.98 64.16 2bud s VAL 417 Cb -0.78 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 31.73 2bud s VAL 417 CO 0.43 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.20 2bud n GLY 418 N 3.37 1.08 3.73 4.51 0.00 -1.26 -4.86 105.19 111.76 2bud n GLY 418 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 5.83 -4.67 0.99 4.32 -1.24 -4.90 117.00 117.33 2bud n LEU 419 Ca 0.00 0.87 -0.44 0.00 -0.02 0.00 0.00 56.01 56.42 2bud n LEU 419 Cb 0.00 -1.56 -0.02 0.00 -1.62 0.00 0.00 43.42 40.23 2bud n LEU 419 CO 0.00 -0.92 0.90 0.59 -1.22 0.00 0.00 177.39 176.75 2bud n ASN 420 N -1.62 2.55 -0.12 -1.43 3.02 -1.26 -4.81 115.26 111.59 2bud n ASN 420 Ca 0.14 1.18 0.20 0.00 -0.03 0.00 0.00 54.58 56.07 2bud n ASN 420 Cb 0.47 -1.43 0.60 0.00 -0.61 0.00 0.00 39.78 38.81 2bud n ASN 420 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 2bud h ARG 421 N 3.18 0.21 -0.95 3.52 -0.00 -1.90 -0.44 114.38 118.00 2bud h ARG 421 Ca -0.45 -0.01 0.12 0.00 -0.00 0.00 0.00 59.98 59.64 2bud h ARG 421 Cb 1.29 -0.05 -0.08 0.00 -0.00 0.00 0.00 29.97 31.13 2bud h ARG 421 CO 0.68 0.14 0.61 0.07 -0.00 0.00 0.00 179.97 181.46 2bud h ARG 422 N 0.22 0.87 -0.36 0.08 -0.00 -2.01 0.70 114.38 113.88 2bud h ARG 422 Ca 0.35 -0.05 -0.07 0.00 -0.00 0.00 0.00 59.98 60.21 2bud h ARG 422 Cb 1.08 -0.20 -0.02 0.00 -0.00 0.00 0.00 29.97 30.84 2bud h ARG 422 CO -0.07 0.58 -0.09 -0.07 -0.00 0.00 0.00 179.97 180.32 2bud h LEU 423 N 0.90 0.59 -9.67 0.08 3.38 -1.42 -3.44 115.31 105.72 2bud h LEU 423 Ca 0.47 -0.15 -0.58 0.00 0.09 0.00 0.00 57.88 57.71 2bud h LEU 423 Cb 0.53 -0.16 0.10 0.00 0.09 0.00 0.00 40.66 41.22 2bud h LEU 423 CO -0.23 0.72 0.50 0.47 0.09 0.00 0.00 178.44 179.99 2bud n ASP 424 N -4.20 2.62 0.00 -0.43 8.00 0.24 -4.88 116.55 117.89 2bud n ASP 424 Ca 0.01 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.70 2bud n ASP 424 Cb 0.32 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 39.97 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 1.26 0.98 3.70 0.44 0.00 -1.22 -5.03 105.19 105.31 2bud n GLY 425 Ca 0.07 0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 0.64 3.20 0.00 1.61 0.52 -1.26 -1.52 118.94 122.14 2bud s TRP 426 Ca 0.00 0.22 0.03 0.00 0.02 0.00 0.00 56.10 56.37 2bud s TRP 426 Cb 0.00 -1.80 -0.01 0.00 -1.15 0.00 0.00 33.47 30.51 2bud s TRP 426 CO 0.00 0.50 -0.10 0.14 0.02 0.00 0.00 176.95 177.51 2bud s VAL 427 N -0.91 0.76 0.62 4.03 -7.23 -0.74 -4.92 120.40 112.00 2bud s VAL 427 Ca 0.14 -0.54 -0.18 0.00 -1.81 0.00 0.00 61.98 59.59 2bud s VAL 427 Cb -0.11 -0.66 -0.02 0.00 0.56 0.00 0.00 36.38 36.15 2bud s VAL 427 CO 0.03 0.12 1.20 -0.83 -0.31 0.00 0.00 175.10 175.31 2bud s GLY 428 N -0.47 2.65 0.34 2.32 0.00 -1.26 -1.22 107.32 109.68 2bud s GLY 428 Ca 0.02 0.97 0.10 0.00 0.00 0.00 0.00 44.72 45.80 2bud s GLY 428 CO -0.00 1.36 1.81 -0.09 0.00 0.00 0.00 173.10 176.17 2bud h ARG 429 N 0.65 0.65 0.00 2.90 9.65 -1.91 0.46 114.38 126.77 2bud h ARG 429 Ca -0.50 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.34 2bud h ARG 429 Cb 1.30 -0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 29.73 2bud h ARG 429 CO 0.54 0.43 -0.01 1.12 2.80 0.00 0.00 179.97 184.85 2bud h HIS 430 N 0.67 0.00 0.08 2.20 2.07 -1.93 -2.42 115.15 115.81 2bud h HIS 430 Ca 0.54 0.00 -0.26 0.00 -2.85 0.00 0.00 60.37 57.80 2bud h HIS 430 Cb 0.96 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.95 2bud h HIS 430 CO -0.00 0.01 -1.13 0.00 -3.07 0.00 0.00 177.93 173.74 2bud h ARG 431 N 0.00 0.35 -6.26 5.12 3.08 -1.22 -3.45 114.38 112.00 2bud h ARG 431 Ca -0.00 -0.49 -0.57 0.00 0.07 0.00 0.00 59.98 59.00 2bud h ARG 431 Cb 0.02 0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 2bud h ARG 431 CO 0.00 1.19 -0.01 0.42 -1.07 0.00 0.00 179.97 180.50 2bud s ILE 432 N -2.91 4.71 -0.28 2.04 1.01 -0.91 -0.94 121.20 123.92 2bud s ILE 432 Ca -0.05 1.27 -0.24 0.00 0.00 0.00 0.00 60.65 61.63 2bud s ILE 432 Cb 0.08 -3.93 0.09 0.00 0.01 0.00 0.00 42.46 38.71 2bud s ILE 432 CO 0.88 0.54 0.85 -0.44 0.00 0.00 0.00 174.94 176.77 2bud s SER 433 N -1.06 -0.64 0.00 3.58 0.01 -0.34 -4.91 113.70 110.34 2bud s SER 433 Ca 0.30 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.77 2bud s SER 433 Cb -0.20 1.23 0.00 0.00 0.21 0.00 0.00 66.02 67.26 2bud s SER 433 CO 0.20 -0.21 0.54 -0.90 0.41 0.00 0.00 173.24 173.28 2bud n ASP 434 N 2.62 0.51 -3.72 2.44 5.75 -1.26 -2.89 116.55 120.00 2bud n ASP 434 Ca -0.14 -1.58 -0.12 0.00 -0.01 0.00 0.00 54.79 52.94 2bud n ASP 434 Cb 0.56 -0.25 -0.12 0.00 -1.03 0.00 0.00 41.12 40.27 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 -0.57 -0.33 0.18 -1.12 0.01 -1.26 -4.97 114.94 106.88 2bud s ASN 435 Ca 0.00 0.62 -0.06 0.00 -0.71 0.00 0.00 52.86 52.71 2bud s ASN 435 Cb 0.00 0.51 0.08 0.00 0.41 0.00 0.00 41.25 42.25 2bud s ASN 435 CO 0.00 -0.17 1.52 0.00 -1.51 0.00 0.00 177.10 176.95 2bud h ALA 436 N 7.07 0.70 -0.96 0.60 0.00 -1.97 -3.17 119.26 121.52 2bud h ALA 436 Ca -0.39 -0.46 0.20 0.00 0.00 0.00 0.00 54.91 54.26 2bud h ALA 436 Cb 1.17 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.73 2bud h ALA 436 CO 0.35 0.67 0.54 -0.44 0.00 0.00 0.00 179.25 180.37 2bud h ASP 437 N 0.60 0.65 -0.98 0.00 3.32 -1.96 -1.07 116.42 116.98 2bud h ASP 437 Ca 0.05 0.11 -0.48 0.00 0.02 0.00 0.00 57.03 56.73 2bud h ASP 437 Cb 0.97 0.01 -0.17 0.00 0.22 0.00 0.00 39.33 40.36 2bud h ASP 437 CO 0.09 0.19 0.36 0.47 -1.72 0.00 0.00 179.24 178.63 2bud n ASP 438 N -4.85 6.41 0.00 6.45 9.92 -1.20 -4.52 116.55 128.77 2bud n ASP 438 Ca 0.23 -3.17 0.00 0.00 -0.53 0.00 0.00 54.79 51.32 2bud n ASP 438 Cb 0.59 -1.23 0.00 0.00 -0.64 0.00 0.00 41.12 39.84 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 0.92 0.00 -2.24 0.64 4.77 -0.41 -4.90 117.00 115.77 2bud n LEU 439 Ca 0.48 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.44 2bud n LEU 439 Cb 0.57 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.74 2bud n LEU 439 CO 0.32 0.00 0.49 0.61 -1.33 0.00 0.00 177.39 177.49 2bud n GLY 440 N 0.22 0.86 1.23 -0.72 0.00 -1.23 -5.01 105.19 100.54 2bud n GLY 440 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.94 -4.08 3.56 -0.02 0.00 -1.26 -4.30 105.19 98.15 2bud n GLY 441 Ca -0.11 -0.86 -0.15 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.51 -0.01 -4.43 -0.61 2.08 -1.26 -3.31 119.36 110.31 2bud n ILE 442 Ca 0.00 -0.52 -0.39 0.00 0.56 0.00 0.00 62.75 62.40 2bud n ILE 442 Cb 0.15 -1.98 -0.08 0.00 -0.75 0.00 0.00 39.64 36.98 2bud n ILE 442 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 2bud n THR 443 N 8.64 -0.23 -1.49 1.39 5.66 -1.26 -4.79 114.28 122.19 2bud n THR 443 Ca 0.47 -0.12 -0.27 0.00 -3.05 0.00 0.00 64.05 61.09 2bud n THR 443 Cb 0.43 -0.60 -0.06 0.00 -1.55 0.00 0.00 70.33 68.54 2bud n THR 443 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2bud n VAL 444 N -4.10 3.44 -4.27 1.08 0.31 -1.21 -4.93 118.33 108.65 2bud n VAL 444 Ca 0.01 -2.98 -0.31 0.00 -0.01 0.00 0.00 64.34 61.05 2bud n VAL 444 Cb 0.50 -1.66 -0.09 0.00 -0.91 0.00 0.00 33.84 31.67 2bud n VAL 444 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 2bud s LEU 445 N -2.01 3.37 0.54 7.52 -0.00 -1.26 -5.00 118.68 121.84 2bud s LEU 445 Ca 0.59 -0.13 -0.20 0.00 -0.00 0.00 0.00 54.13 54.40 2bud s LEU 445 Cb 0.36 -2.01 -0.08 0.00 -0.00 0.00 0.00 46.19 44.46 2bud s LEU 445 CO -0.20 0.24 0.79 -2.65 -0.00 0.00 0.00 176.35 174.53 2bud n PRO 446 N 1.10 0.82 -3.64 1.48 -0.02 -1.26 -5.03 135.00 128.45 2bud n PRO 446 Ca -0.13 0.31 -0.15 0.00 -2.02 0.00 0.00 63.50 61.51 2bud n PRO 446 Cb 0.52 -1.93 -0.08 0.00 -0.02 0.00 0.00 33.50 32.00 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 -1.54 -1.56 0.07 3.55 0.00 -1.26 -5.14 121.76 115.88 2bud s ALA 447 Ca 0.70 1.62 -0.37 0.00 0.00 0.00 0.00 51.96 53.91 2bud s ALA 447 Cb -0.47 -0.78 -0.17 0.00 0.00 0.00 0.00 23.12 21.71 2bud s ALA 447 CO 0.52 -0.31 1.38 -2.30 0.00 0.00 0.00 175.76 175.05 2bud n PRO 448 N 2.30 1.20 -2.47 0.00 -0.02 -1.26 -4.94 135.00 129.80 2bud n PRO 448 Ca -0.15 0.43 -0.33 0.00 -2.02 0.00 0.00 63.50 61.43 2bud n PRO 448 Cb 0.56 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.92 2bud n PRO 448 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2bud s PRO 449 N 0.70 3.78 0.43 0.52 0.04 -1.26 -4.87 135.00 134.34 2bud s PRO 449 Ca 0.85 1.25 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2bud s PRO 449 Cb -0.95 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 31.49 2bud s PRO 449 CO 0.48 -0.43 0.00 1.28 0.04 0.00 0.00 177.00 178.36 2bud n LEU 450 N -1.20 -1.37 -3.66 -3.56 7.99 -1.26 -5.07 117.00 108.87 2bud n LEU 450 Ca 0.09 2.15 -0.13 0.00 -0.01 0.00 0.00 56.01 58.11 2bud n LEU 450 Cb 0.53 -2.06 -0.08 0.00 -0.11 0.00 0.00 43.42 41.70 2bud n LEU 450 CO 0.41 -0.43 0.32 0.00 -1.51 0.00 0.00 177.39 176.19 2bud s ALA 451 N -4.68 -1.60 0.00 -1.18 0.00 -1.26 -5.04 121.76 108.00 2bud s ALA 451 Ca 0.00 1.87 -0.01 0.00 0.00 0.00 0.00 51.96 53.82 2bud s ALA 451 Cb 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.99 2bud s ALA 451 CO 0.00 -0.31 1.90 -0.35 0.00 0.00 0.00 175.76 177.00 2bud n PRO 452 N 3.00 0.97 0.00 0.00 -0.04 -1.26 -4.80 135.00 132.87 2bud n PRO 452 Ca -0.15 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.18 2bud n PRO 452 Cb 0.56 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 2bud n PRO 452 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2bud n ASP 453 N 1.73 0.00 0.00 3.54 5.75 -1.26 -5.38 116.55 120.93 2bud n ASP 453 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 2bud n ASP 453 Cb 0.47 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 2bud n ASP 453 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76