#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 -1.35 1.61 7.64 -1.26 -5.01 113.62 115.25 2bud n SER 364 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2bud n SER 364 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 11.14 -3.72 -2.92 1.43 -0.00 -1.26 -4.98 115.22 114.92 2bud n HIS 365 Ca 0.00 1.98 -0.13 0.00 -0.00 0.00 0.00 57.72 59.57 2bud n HIS 365 Cb 0.00 -3.14 0.03 0.00 -0.00 0.00 0.00 29.99 26.88 2bud n HIS 365 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2bud n MET 366 N -0.86 1.04 -1.89 1.57 3.85 -1.26 -5.10 117.12 114.48 2bud n MET 366 Ca 0.00 -2.86 0.00 0.00 -1.00 0.00 0.00 57.70 53.84 2bud n MET 366 Cb 0.00 -1.27 0.00 0.00 -1.05 0.00 0.00 33.22 30.90 2bud n MET 366 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2bud n ASP 367 N 0.12 -8.58 -2.21 3.17 8.00 -1.26 -4.71 116.55 111.08 2bud n ASP 367 Ca 0.14 1.27 -0.19 0.00 0.71 0.00 0.00 54.79 56.72 2bud n ASP 367 Cb 0.73 -4.72 -0.11 0.00 -0.02 0.00 0.00 41.12 36.99 2bud n ASP 367 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2bud n PRO 368 N 1.39 2.16 0.12 -0.24 -0.04 -1.26 -3.98 135.00 133.15 2bud n PRO 368 Ca 0.00 -1.61 0.00 0.00 -0.04 0.00 0.00 63.50 61.85 2bud n PRO 368 Cb 0.00 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 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 1.69 -2.05 -2.98 1.53 -0.00 -1.26 -4.96 117.00 108.97 2bud n LEU 369 Ca 0.44 0.45 -0.32 0.00 -0.00 0.00 0.00 56.01 56.59 2bud n LEU 369 Cb 0.74 2.14 -0.06 0.00 -0.00 0.00 0.00 43.42 46.23 2bud n LEU 369 CO 0.22 -0.12 2.68 0.80 -0.00 0.00 0.00 177.39 180.97 2bud n MET 370 N -2.99 3.38 -1.70 1.96 1.56 -1.26 -4.94 117.12 113.13 2bud n MET 370 Ca 0.00 -2.16 -0.55 0.00 -0.27 0.00 0.00 57.70 54.71 2bud n MET 370 Cb 0.00 -2.54 -0.07 0.00 2.15 0.00 0.00 33.22 32.77 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 2.79 1.39 -3.94 2.12 6.02 -1.26 -2.35 117.38 122.14 2bud n GLN 371 Ca 0.65 0.51 -0.31 0.00 -0.01 0.00 0.00 57.00 57.84 2bud n GLN 371 Cb 0.42 -2.23 -0.01 0.00 1.02 0.00 0.00 30.24 29.43 2bud n GLN 371 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2bud n LYS 372 N 5.64 -0.58 -1.82 -1.09 2.85 -1.26 -4.22 118.16 117.68 2bud n LYS 372 Ca 0.26 -0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.46 2bud n LYS 372 Cb 0.17 -1.84 0.00 0.00 -0.65 0.00 0.00 35.03 32.71 2bud n LYS 372 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2bud n ILE 373 N -3.86 -5.58 -3.21 0.58 5.41 -0.99 -4.90 119.36 106.81 2bud n ILE 373 Ca -0.13 1.88 -0.39 0.00 1.00 0.00 0.00 62.75 65.12 2bud n ILE 373 Cb 0.44 -2.76 -0.05 0.00 -0.71 0.00 0.00 39.64 36.55 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 -1.12 6.80 -0.05 4.38 1.11 -1.26 -4.98 116.67 121.55 2bud s ASP 374 Ca 0.00 0.95 -0.13 0.00 0.18 0.00 0.00 52.55 53.55 2bud s ASP 374 Cb 0.00 -2.34 -0.31 0.00 1.07 0.00 0.00 42.92 41.35 2bud s ASP 374 CO 0.00 -0.05 0.70 0.40 1.18 0.00 0.00 175.17 177.40 2bud h ILE 375 N 4.75 1.02 0.00 0.77 2.04 -1.94 -3.32 117.51 120.83 2bud h ILE 375 Ca -0.41 -2.52 0.00 0.00 1.00 0.00 0.00 64.86 62.94 2bud h ILE 375 Cb 1.18 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 40.08 2bud h ILE 375 CO 0.76 0.82 0.46 -1.28 0.00 0.00 0.00 178.15 178.91 2bud h SER 376 N 0.02 0.00 -0.70 1.72 0.87 -1.98 -0.21 113.55 113.27 2bud h SER 376 Ca -0.32 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.31 2bud h SER 376 Cb 2.03 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.93 2bud h SER 376 CO 0.17 0.00 0.39 -0.33 -0.53 0.00 0.00 176.83 176.53 2bud h GLU 377 N 0.00 0.68 0.00 2.24 4.39 -2.00 -3.40 114.58 116.49 2bud h GLU 377 Ca 0.00 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.54 2bud h GLU 377 Cb 0.93 -0.15 -0.13 0.00 -0.10 0.00 0.00 28.75 29.29 2bud h GLU 377 CO 0.00 0.45 -0.19 0.27 -1.16 0.00 0.00 179.01 178.38 2bud n ASN 378 N -4.78 -1.83 -0.35 1.42 2.04 -0.12 -5.03 115.26 106.62 2bud n ASN 378 Ca 0.09 -2.32 0.13 0.00 -0.44 0.00 0.00 54.58 52.04 2bud n ASN 378 Cb 0.19 1.12 0.32 0.00 -2.53 0.00 0.00 39.78 38.89 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 3.35 0.74 -0.62 -0.53 0.11 -1.71 0.10 132.00 133.44 2bud h PRO 379 Ca -0.21 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 2bud h PRO 379 Cb 1.15 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 2bud h PRO 379 CO -0.01 0.49 0.38 -0.44 -0.21 0.00 0.00 178.00 178.20 2bud h ASP 380 N 0.76 0.73 -2.23 -2.05 3.32 -1.95 -3.44 116.42 111.57 2bud h ASP 380 Ca 0.58 -0.03 -0.62 0.00 0.02 0.00 0.00 57.03 56.98 2bud h ASP 380 Cb 0.91 -0.18 0.07 0.00 0.22 0.00 0.00 39.33 40.34 2bud h ASP 380 CO -0.39 0.56 0.54 1.17 -1.72 0.00 0.00 179.24 179.40 2bud n LYS 381 N -4.42 1.69 -3.05 3.56 4.81 0.35 -4.94 118.16 116.15 2bud n LYS 381 Ca 0.06 0.60 -0.40 0.00 -0.87 0.00 0.00 58.31 57.71 2bud n LYS 381 Cb 0.07 -2.24 -0.05 0.00 0.02 0.00 0.00 35.03 32.83 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 0.21 4.97 -0.04 3.15 -1.09 -1.26 -4.74 121.20 122.40 2bud s ILE 382 Ca 0.75 1.46 -0.01 0.00 -2.23 0.00 0.00 60.65 60.62 2bud s ILE 382 Cb -0.76 -4.04 -0.04 0.00 -1.58 0.00 0.00 42.46 36.04 2bud s ILE 382 CO 0.47 0.30 0.05 -0.31 -1.23 0.00 0.00 174.94 174.21 2bud s TYR 383 N 0.50 3.23 0.02 3.97 1.51 -0.83 -4.91 117.35 120.84 2bud s TYR 383 Ca 0.37 0.20 -0.15 0.00 -1.01 0.00 0.00 57.07 56.48 2bud s TYR 383 Cb -0.18 -1.75 -0.06 0.00 -0.11 0.00 0.00 41.96 39.85 2bud s TYR 383 CO 0.19 0.53 0.44 -0.06 -1.11 0.00 0.00 175.55 175.53 2bud s PHE 384 N -1.07 3.73 -0.06 2.71 0.40 -1.18 0.48 117.98 123.00 2bud s PHE 384 Ca 0.19 1.03 0.01 0.00 -0.60 0.00 0.00 56.93 57.56 2bud s PHE 384 Cb -0.12 -2.32 0.02 0.00 0.51 0.00 0.00 43.02 41.11 2bud s PHE 384 CO 0.09 0.62 -0.06 0.42 0.70 0.00 0.00 175.22 177.00 2bud s ILE 385 N -1.11 0.68 -0.22 0.64 1.09 -0.74 -1.48 121.20 120.06 2bud s ILE 385 Ca 0.25 -0.19 -0.24 0.00 -1.10 0.00 0.00 60.65 59.38 2bud s ILE 385 Cb -0.17 -0.69 -0.01 0.00 -1.06 0.00 0.00 42.46 40.53 2bud s ILE 385 CO 0.15 0.26 0.78 -0.60 -0.10 0.00 0.00 174.94 175.43 2bud s ARG 386 N 1.01 4.21 0.71 2.79 3.52 0.15 -1.25 118.95 130.08 2bud s ARG 386 Ca -0.09 0.87 -0.11 0.00 -0.13 0.00 0.00 55.73 56.26 2bud s ARG 386 Cb -0.14 -3.61 0.02 0.00 -1.56 0.00 0.00 34.95 29.65 2bud s ARG 386 CO -0.00 -0.41 1.07 1.03 -0.81 0.00 0.00 175.30 176.18 2bud s ARG 387 N 2.46 2.75 0.20 5.12 0.52 -0.76 -4.78 118.95 124.46 2bud s ARG 387 Ca 0.34 1.08 -0.10 0.00 -0.52 0.00 0.00 55.73 56.52 2bud s ARG 387 Cb -0.16 -1.96 0.24 0.00 0.52 0.00 0.00 34.95 33.59 2bud s ARG 387 CO 0.09 -1.25 1.76 0.93 0.02 0.00 0.00 175.30 176.85 2bud h GLU 388 N -0.68 0.45 -0.18 3.54 5.08 -1.96 0.21 114.58 121.03 2bud h GLU 388 Ca -0.44 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 57.94 2bud h GLU 388 Cb 1.22 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2bud h GLU 388 CO 0.55 0.30 0.14 0.38 -1.00 0.00 0.00 179.01 179.38 2bud h ASP 389 N 0.46 0.00 0.00 1.42 2.03 -2.04 -3.45 116.42 114.84 2bud h ASP 389 Ca 0.28 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.58 2bud h ASP 389 Cb 0.30 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.80 2bud h ASP 389 CO -0.25 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.57 2bud n GLY 390 N -1.54 1.27 3.05 7.15 0.00 0.74 -5.12 105.19 110.75 2bud n GLY 390 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 2.02 0.26 2.61 -4.23 -1.23 -4.84 115.64 108.23 2bud s THR 391 Ca 0.00 -1.47 -0.29 0.00 -1.18 0.00 0.00 61.69 58.75 2bud s THR 391 Cb 0.00 -2.13 -0.09 0.00 1.34 0.00 0.00 72.50 71.62 2bud s THR 391 CO 0.00 0.02 1.21 -0.69 -0.54 0.00 0.00 174.62 174.62 2bud s VAL 392 N 1.19 3.25 -0.14 2.29 1.01 -1.26 -1.83 120.40 124.90 2bud s VAL 392 Ca -0.07 1.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.94 2bud s VAL 392 Cb -0.19 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.49 2bud s VAL 392 CO -0.06 0.24 0.38 -1.00 0.00 0.00 0.00 175.10 174.66 2bud s HIS 393 N -0.68 -0.42 0.56 5.22 3.76 -0.38 -4.31 115.29 119.03 2bud s HIS 393 Ca 0.50 1.03 -0.20 0.00 -0.15 0.00 0.00 55.06 56.23 2bud s HIS 393 Cb -0.35 0.15 -0.05 0.00 1.11 0.00 0.00 32.58 33.43 2bud s HIS 393 CO 0.43 -0.21 1.13 0.54 -0.85 0.00 0.00 174.74 175.78 2bud n ARG 394 N 2.92 1.25 -3.62 1.40 1.74 -1.26 -1.79 116.66 117.30 2bud n ARG 394 Ca -0.13 0.47 -0.04 0.00 -0.77 0.00 0.00 57.85 57.38 2bud n ARG 394 Cb 0.57 -2.31 -0.06 0.00 -1.02 0.00 0.00 32.46 29.64 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 -1.06 -0.32 -0.46 -0.13 0.00 0.18 -2.91 107.32 102.61 2bud s GLY 395 Ca 0.73 2.79 -0.27 0.00 0.00 0.00 0.00 44.72 47.97 2bud s GLY 395 CO 0.49 2.61 1.00 1.20 0.00 0.00 0.00 173.10 178.40 2bud s GLN 396 N 1.67 3.61 0.13 2.90 -0.21 -0.45 -1.97 119.66 125.34 2bud s GLN 396 Ca -0.09 0.31 -0.30 0.00 0.02 0.00 0.00 55.36 55.31 2bud s GLN 396 Cb -0.05 -3.92 -0.06 0.00 1.00 0.00 0.00 33.01 29.98 2bud s GLN 396 CO -0.17 -1.27 0.99 0.54 -2.12 0.00 0.00 175.29 173.25 2bud s VAL 397 N 3.99 4.35 0.00 1.09 0.11 -1.26 -0.95 120.40 127.74 2bud s VAL 397 Ca 0.41 1.98 0.00 0.00 -2.93 0.00 0.00 61.98 61.44 2bud s VAL 397 Cb -0.09 -4.27 0.00 0.00 -1.53 0.00 0.00 36.38 30.49 2bud s VAL 397 CO 0.28 0.32 0.00 0.18 -3.33 0.00 0.00 175.10 172.55 2bud n LEU 398 N 2.66 0.56 -4.24 2.54 4.77 -0.63 -4.96 117.00 117.70 2bud n LEU 398 Ca 0.02 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.84 2bud n LEU 398 Cb 0.48 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.49 2bud n LEU 398 CO 0.52 0.09 -0.16 -1.10 -1.33 0.00 0.00 177.39 175.41 2bud s GLN 399 N -1.99 1.52 -0.13 3.23 -0.21 -1.26 -4.97 119.66 115.85 2bud s GLN 399 Ca 0.00 -1.85 -0.30 0.00 0.02 0.00 0.00 55.36 53.23 2bud s GLN 399 Cb 0.00 0.30 0.11 0.00 1.00 0.00 0.00 33.01 34.42 2bud s GLN 399 CO 0.00 -0.54 0.88 -1.54 -2.12 0.00 0.00 175.29 171.97 2bud s SER 400 N -3.28 -0.48 -0.25 5.90 1.04 -1.25 -0.62 113.70 114.76 2bud s SER 400 Ca 0.40 0.56 -0.21 0.00 0.48 0.00 0.00 55.95 57.18 2bud s SER 400 Cb 0.04 0.44 0.07 0.00 0.10 0.00 0.00 66.02 66.67 2bud s SER 400 CO 0.21 -0.42 0.65 0.00 0.98 0.00 0.00 173.24 174.66 2bud s ARG 401 N -1.03 0.74 0.26 4.02 1.70 -0.09 -4.94 118.95 119.61 2bud s ARG 401 Ca -0.05 0.94 -0.30 0.00 -0.47 0.00 0.00 55.73 55.86 2bud s ARG 401 Cb -0.01 0.33 -0.09 0.00 -0.57 0.00 0.00 34.95 34.61 2bud s ARG 401 CO 0.04 -0.10 1.08 0.95 -1.08 0.00 0.00 175.30 176.19 2bud s THR 402 N 0.54 3.62 0.64 4.99 -4.23 -1.25 -0.59 115.64 119.35 2bud s THR 402 Ca -0.02 1.60 -0.11 0.00 -1.18 0.00 0.00 61.69 61.98 2bud s THR 402 Cb -0.05 -4.02 0.16 0.00 1.34 0.00 0.00 72.50 69.94 2bud s THR 402 CO -0.02 0.37 0.40 0.41 -0.54 0.00 0.00 174.62 175.24 2bud n THR 403 N 1.39 0.00 -0.19 3.99 -1.04 -1.21 -4.73 114.28 112.49 2bud n THR 403 Ca -0.01 -0.04 -0.01 0.00 -2.04 0.00 0.00 64.05 61.95 2bud n THR 403 Cb 0.45 -0.56 0.09 0.00 -1.82 0.00 0.00 70.33 68.50 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 0.41 -0.27 -2.82 5.08 -1.96 -2.29 114.58 112.73 2bud h GLU 404 Ca -0.18 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2bud h GLU 404 Cb 0.59 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2bud h GLU 404 CO 0.11 0.27 0.17 -0.97 -1.00 0.00 0.00 179.01 177.59 2bud h ASN 405 N 0.42 0.30 -2.89 1.42 -1.24 -1.97 -3.48 115.58 108.13 2bud h ASN 405 Ca 0.29 -0.01 0.22 0.00 0.71 0.00 0.00 56.30 57.52 2bud h ASN 405 Cb 0.32 -0.07 -0.06 0.00 0.73 0.00 0.00 38.32 39.24 2bud h ASN 405 CO -0.27 0.21 -0.30 0.00 -1.29 0.00 0.00 177.43 175.78 2bud n ALA 406 N -2.17 -2.13 -1.06 1.57 0.00 -0.86 -4.85 120.51 111.00 2bud n ALA 406 Ca -0.02 0.26 -0.02 0.00 0.00 0.00 0.00 53.44 53.66 2bud n ALA 406 Cb 0.03 -0.74 -0.01 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.44 -0.03 0.04 0.00 0.00 -1.26 -4.22 120.51 113.60 2bud n ALA 407 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2bud n ALA 407 Cb 0.38 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 1.04 0.00 -1.78 0.00 0.00 -1.26 -5.01 120.51 113.49 2bud n ALA 408 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.07 2bud n ALA 408 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.87 2bud n ALA 408 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2bud s PRO 409 N -2.00 3.57 -0.29 0.00 0.04 -1.26 -5.01 135.00 130.05 2bud s PRO 409 Ca 0.00 1.51 -0.16 0.00 0.04 0.00 0.00 61.00 62.39 2bud s PRO 409 Cb 0.00 -2.06 0.16 0.00 0.04 0.00 0.00 34.50 32.63 2bud s PRO 409 CO 0.00 -0.65 1.00 0.16 0.04 0.00 0.00 177.00 177.56 2bud s ASP 410 N -1.84 -0.50 -0.11 6.66 -4.77 -1.26 -3.31 116.67 111.54 2bud s ASP 410 Ca 0.70 0.75 -0.02 0.00 -3.30 0.00 0.00 52.55 50.68 2bud s ASP 410 Cb -0.21 1.37 -0.03 0.00 -1.09 0.00 0.00 42.92 42.96 2bud s ASP 410 CO 0.24 -0.11 -0.05 -1.61 0.70 0.00 0.00 175.17 174.33 2bud s GLU 411 N 1.76 3.24 -0.14 2.11 0.41 0.24 -3.03 118.70 123.29 2bud s GLU 411 Ca -0.06 -0.53 -0.01 0.00 -0.41 0.00 0.00 54.97 53.95 2bud s GLU 411 Cb -0.04 -2.76 -0.02 0.00 -1.78 0.00 0.00 34.13 29.53 2bud s GLU 411 CO -0.16 0.44 -0.10 0.71 -0.49 0.00 0.00 175.26 175.66 2bud s TYR 412 N -0.20 2.87 0.11 1.61 1.51 -0.48 -0.91 117.35 121.86 2bud s TYR 412 Ca 0.03 -0.59 -0.31 0.00 -1.01 0.00 0.00 57.07 55.19 2bud s TYR 412 Cb -0.13 -1.89 -0.08 0.00 -0.11 0.00 0.00 41.96 39.76 2bud s TYR 412 CO 0.03 -0.19 1.39 -0.47 -1.11 0.00 0.00 175.55 175.19 2bud s TYR 413 N 0.43 3.22 -0.02 2.71 5.04 0.21 -1.13 117.35 127.81 2bud s TYR 413 Ca -0.08 0.95 0.03 0.00 -2.44 0.00 0.00 57.07 55.52 2bud s TYR 413 Cb -0.15 -3.68 -0.00 0.00 0.35 0.00 0.00 41.96 38.48 2bud s TYR 413 CO 0.04 -2.39 -0.11 0.54 -1.34 0.00 0.00 175.55 172.30 2bud s VAL 414 N 1.17 0.90 -0.61 3.14 0.11 -1.01 -1.61 120.40 122.50 2bud s VAL 414 Ca 0.65 -0.44 -0.01 0.00 -2.93 0.00 0.00 61.98 59.25 2bud s VAL 414 Cb -0.37 -0.78 0.15 0.00 -1.53 0.00 0.00 36.38 33.86 2bud s VAL 414 CO 0.30 0.27 0.40 -2.28 -3.33 0.00 0.00 175.10 170.46 2bud s HIS 415 N 0.06 3.34 0.10 1.54 2.46 -0.12 -2.87 115.29 119.80 2bud s HIS 415 Ca -0.01 -2.88 -0.35 0.00 0.47 0.00 0.00 55.06 52.30 2bud s HIS 415 Cb -0.08 -3.08 -0.14 0.00 -0.13 0.00 0.00 32.58 29.15 2bud s HIS 415 CO 0.00 -0.80 1.60 0.66 -2.47 0.00 0.00 174.74 173.73 2bud n TYR 416 N 3.30 2.16 -2.30 3.88 4.02 -1.26 -1.34 117.16 125.63 2bud n TYR 416 Ca 0.08 0.29 -0.42 0.00 -0.01 0.00 0.00 57.90 57.83 2bud n TYR 416 Cb 0.36 -2.53 -0.03 0.00 -0.02 0.00 0.00 39.34 37.12 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 1.44 3.77 0.00 -0.72 1.01 -1.14 -3.46 120.40 121.29 2bud s VAL 417 Ca 0.82 1.22 0.00 0.00 0.00 0.00 0.00 61.98 64.02 2bud s VAL 417 Cb -0.73 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 31.86 2bud s VAL 417 CO 0.42 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.19 2bud n GLY 418 N 3.44 1.24 3.65 4.51 0.00 -1.26 -4.90 105.19 111.87 2bud n GLY 418 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 3.11 -4.61 0.99 4.32 -1.22 -4.90 117.00 114.70 2bud n LEU 419 Ca 0.00 0.42 -0.44 0.00 -0.02 0.00 0.00 56.01 55.98 2bud n LEU 419 Cb 0.00 -1.46 -0.01 0.00 -1.62 0.00 0.00 43.42 40.33 2bud n LEU 419 CO 0.00 -2.25 0.61 0.59 -1.22 0.00 0.00 177.39 175.12 2bud n ASN 420 N -3.95 1.47 -0.27 -1.43 4.13 -1.26 -4.88 115.26 109.07 2bud n ASN 420 Ca 0.12 1.16 -0.01 0.00 1.68 0.00 0.00 54.58 57.53 2bud n ASN 420 Cb 0.52 -1.32 0.19 0.00 -1.54 0.00 0.00 39.78 37.63 2bud n ASN 420 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 2bud h ARG 421 N 1.99 1.10 -0.84 3.52 3.08 -1.93 -2.18 114.38 119.13 2bud h ARG 421 Ca -0.41 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 59.56 2bud h ARG 421 Cb 1.33 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 31.10 2bud h ARG 421 CO 0.60 0.75 0.55 0.07 -1.07 0.00 0.00 179.97 180.87 2bud h ARG 422 N 1.13 1.12 -0.41 0.04 0.11 -2.02 -1.72 114.38 112.63 2bud h ARG 422 Ca 0.30 -0.07 0.10 0.00 0.10 0.00 0.00 59.98 60.40 2bud h ARG 422 Cb -0.09 -0.25 -0.02 0.00 1.11 0.00 0.00 29.97 30.72 2bud h ARG 422 CO -0.06 0.75 0.29 -0.07 0.10 0.00 0.00 179.97 180.98 2bud h LEU 423 N 1.15 0.12 -9.48 0.08 3.38 -1.75 -3.43 115.31 105.38 2bud h LEU 423 Ca 0.31 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.67 2bud h LEU 423 Cb -0.11 -0.02 0.08 0.00 0.09 0.00 0.00 40.66 40.69 2bud h LEU 423 CO -0.06 0.07 0.47 0.47 0.09 0.00 0.00 178.44 179.48 2bud n ASP 424 N -4.45 2.17 0.00 -0.43 8.00 -0.65 -4.93 116.55 116.27 2bud n ASP 424 Ca 0.06 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.70 2bud n ASP 424 Cb 0.39 -1.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 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 2.13 -0.50 3.76 0.44 0.00 -1.14 -5.05 105.19 104.83 2bud n GLY 425 Ca 0.13 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.00 3.62 -0.01 1.61 0.52 -1.26 -2.39 118.94 119.02 2bud s TRP 426 Ca 0.00 1.73 0.02 0.00 0.02 0.00 0.00 56.10 57.87 2bud s TRP 426 Cb 0.00 -3.23 -0.00 0.00 -1.15 0.00 0.00 33.47 29.09 2bud s TRP 426 CO 0.00 -0.41 -0.08 0.14 0.02 0.00 0.00 176.95 176.62 2bud s VAL 427 N -1.20 0.67 0.57 4.03 -7.23 -0.28 -4.93 120.40 112.03 2bud s VAL 427 Ca 0.45 -0.35 -0.21 0.00 -1.81 0.00 0.00 61.98 60.07 2bud s VAL 427 Cb -0.30 -0.58 -0.04 0.00 0.56 0.00 0.00 36.38 36.02 2bud s VAL 427 CO 0.39 0.20 1.31 -0.83 -0.31 0.00 0.00 175.10 175.86 2bud s GLY 428 N -0.08 2.86 0.30 2.32 0.00 -1.26 -1.38 107.32 110.08 2bud s GLY 428 Ca 0.01 1.24 0.06 0.00 0.00 0.00 0.00 44.72 46.03 2bud s GLY 428 CO -0.00 1.72 1.78 -0.09 0.00 0.00 0.00 173.10 176.51 2bud h ARG 429 N 1.22 0.76 -0.70 2.90 9.65 -1.88 0.44 114.38 126.78 2bud h ARG 429 Ca -0.51 -0.05 0.19 0.00 -1.10 0.00 0.00 59.98 58.52 2bud h ARG 429 Cb 1.30 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 29.68 2bud h ARG 429 CO 0.56 0.50 0.49 1.12 2.80 0.00 0.00 179.97 185.45 2bud h HIS 430 N 0.78 0.09 0.11 2.20 2.07 -1.90 -0.22 115.15 118.29 2bud h HIS 430 Ca 0.57 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 57.83 2bud h HIS 430 Cb 0.87 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 30.82 2bud h HIS 430 CO -0.00 0.03 -1.21 0.00 -3.07 0.00 0.00 177.93 173.68 2bud h ARG 431 N 0.07 0.29 -6.27 5.12 3.08 -1.21 -3.46 114.38 112.00 2bud h ARG 431 Ca 0.33 -0.46 -0.57 0.00 0.07 0.00 0.00 59.98 59.35 2bud h ARG 431 Cb 1.23 0.17 -0.04 0.00 0.08 0.00 0.00 29.97 31.41 2bud h ARG 431 CO -0.03 1.21 -0.02 0.42 -1.07 0.00 0.00 179.97 180.48 2bud s ILE 432 N -2.73 4.72 -0.27 2.04 1.01 -0.09 -0.68 121.20 125.20 2bud s ILE 432 Ca -0.04 1.23 -0.25 0.00 0.00 0.00 0.00 60.65 61.59 2bud s ILE 432 Cb 0.07 -3.90 0.07 0.00 0.01 0.00 0.00 42.46 38.71 2bud s ILE 432 CO 0.88 0.52 0.72 -0.44 0.00 0.00 0.00 174.94 176.62 2bud s SER 433 N -1.17 -0.75 0.00 3.58 0.01 -0.55 -4.88 113.70 109.94 2bud s SER 433 Ca 0.30 1.44 0.00 0.00 1.31 0.00 0.00 55.95 59.01 2bud s SER 433 Cb -0.19 1.46 0.00 0.00 0.21 0.00 0.00 66.02 67.50 2bud s SER 433 CO 0.20 -0.25 0.36 -0.90 0.41 0.00 0.00 173.24 173.06 2bud n ASP 434 N 2.71 0.35 -3.64 2.44 5.68 -1.26 -3.08 116.55 119.75 2bud n ASP 434 Ca -0.14 -1.08 -0.09 0.00 -0.50 0.00 0.00 54.79 52.98 2bud n ASP 434 Cb 0.55 -0.17 -0.07 0.00 -1.14 0.00 0.00 41.12 40.29 2bud n ASP 434 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2bud s ASN 435 N -0.81 -0.73 0.37 -1.12 2.20 -1.26 -4.97 114.94 108.62 2bud s ASN 435 Ca 0.00 1.29 0.09 0.00 -0.94 0.00 0.00 52.86 53.30 2bud s ASN 435 Cb 0.00 1.30 0.71 0.00 -2.00 0.00 0.00 41.25 41.27 2bud s ASN 435 CO 0.00 -0.21 1.87 0.00 -2.94 0.00 0.00 177.10 175.82 2bud h ALA 436 N 5.61 1.42 -0.96 3.54 0.00 -1.96 -2.99 119.26 123.91 2bud h ALA 436 Ca -0.29 -0.25 0.21 0.00 0.00 0.00 0.00 54.91 54.58 2bud h ALA 436 Cb 1.19 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.78 2bud h ALA 436 CO 0.11 0.40 0.54 -0.44 0.00 0.00 0.00 179.25 179.87 2bud h ASP 437 N 0.22 0.63 -1.68 0.00 3.32 -1.97 -0.93 116.42 116.00 2bud h ASP 437 Ca 0.04 0.12 -0.68 0.00 0.02 0.00 0.00 57.03 56.53 2bud h ASP 437 Cb 0.47 0.02 -0.24 0.00 0.22 0.00 0.00 39.33 39.80 2bud h ASP 437 CO 0.03 0.15 0.86 0.47 -1.72 0.00 0.00 179.24 179.03 2bud n ASP 438 N -4.88 7.22 0.00 6.45 8.00 -1.13 -4.63 116.55 127.58 2bud n ASP 438 Ca 0.24 -3.65 0.00 0.00 0.71 0.00 0.00 54.79 52.09 2bud n ASP 438 Cb 0.63 -1.11 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 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 -0.13 0.00 -0.82 0.64 4.77 -0.36 -4.84 117.00 116.25 2bud n LEU 439 Ca 0.53 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.48 2bud n LEU 439 Cb 0.34 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 2bud n LEU 439 CO 0.47 0.00 0.18 0.61 -1.33 0.00 0.00 177.39 177.31 2bud n GLY 440 N 0.08 -0.02 1.28 -0.72 0.00 -1.19 -5.01 105.19 99.61 2bud n GLY 440 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.05 -3.78 3.56 -0.02 0.00 -1.22 -4.35 105.19 99.33 2bud n GLY 441 Ca -0.12 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.63 0.82 -4.41 -0.61 2.08 -1.26 -3.87 119.36 109.48 2bud n ILE 442 Ca -0.01 -0.84 -0.37 0.00 0.56 0.00 0.00 62.75 62.08 2bud n ILE 442 Cb 0.42 -2.08 -0.08 0.00 -0.75 0.00 0.00 39.64 37.15 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 8.43 -0.58 -1.62 1.39 5.66 -1.26 -4.80 114.28 121.48 2bud n THR 443 Ca 0.43 -0.22 -0.32 0.00 -3.05 0.00 0.00 64.05 60.89 2bud n THR 443 Cb 0.46 -0.86 -0.01 0.00 -1.55 0.00 0.00 70.33 68.38 2bud n THR 443 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2bud n VAL 444 N -4.31 3.42 -3.71 1.08 0.24 -1.25 -4.96 118.33 108.84 2bud n VAL 444 Ca -0.08 -3.44 -0.35 0.00 -2.04 0.00 0.00 64.34 58.43 2bud n VAL 444 Cb 0.56 -1.43 -0.05 0.00 -1.47 0.00 0.00 33.84 31.45 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 -2.97 4.38 0.55 1.34 0.05 -1.26 -5.03 118.68 115.74 2bud s LEU 445 Ca 0.55 0.63 -0.21 0.00 0.05 0.00 0.00 54.13 55.16 2bud s LEU 445 Cb 0.40 -2.66 -0.05 0.00 -2.05 0.00 0.00 46.19 41.84 2bud s LEU 445 CO -0.28 0.26 1.24 -2.16 -0.55 0.00 0.00 176.35 174.86 2bud s PRO 446 N -1.64 3.20 0.15 1.48 0.04 -1.26 -4.91 135.00 132.06 2bud s PRO 446 Ca 0.27 1.94 -0.34 0.00 0.04 0.00 0.00 61.00 62.91 2bud s PRO 446 Cb -0.14 -2.14 -0.16 0.00 0.04 0.00 0.00 34.50 32.11 2bud s PRO 446 CO 0.15 -1.05 1.25 0.00 0.04 0.00 0.00 177.00 177.39 2bud n ALA 447 N -1.16 -0.59 -1.72 8.56 0.00 -1.26 -4.86 120.51 119.48 2bud n ALA 447 Ca 0.11 0.47 -0.43 0.00 0.00 0.00 0.00 53.44 53.60 2bud n ALA 447 Cb 0.48 -2.08 -0.02 0.00 0.00 0.00 0.00 19.45 17.84 2bud n ALA 447 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2bud n PRO 448 N 2.07 2.45 -1.74 0.00 -0.02 -1.26 -4.92 135.00 131.58 2bud n PRO 448 Ca 0.16 0.87 -0.42 0.00 -2.02 0.00 0.00 63.50 62.09 2bud n PRO 448 Cb 0.24 -2.60 -0.01 0.00 -0.02 0.00 0.00 33.50 31.11 2bud n PRO 448 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2bud n PRO 449 N 1.90 2.54 -1.29 0.52 -0.02 -1.26 -4.69 135.00 132.70 2bud n PRO 449 Ca 0.09 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 2bud n PRO 449 Cb 0.35 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 2bud n PRO 449 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2bud n LEU 450 N 1.33 -1.80 -3.62 2.45 4.32 -1.26 -5.07 117.00 113.35 2bud n LEU 450 Ca 0.06 2.44 -0.04 0.00 -0.02 0.00 0.00 56.01 58.45 2bud n LEU 450 Cb 0.37 -2.30 -0.06 0.00 -1.62 0.00 0.00 43.42 39.81 2bud n LEU 450 CO 0.64 0.02 0.46 0.00 -1.22 0.00 0.00 177.39 177.29 2bud s ALA 451 N -3.85 -2.12 0.30 -1.18 0.00 -1.26 -5.15 121.76 108.50 2bud s ALA 451 Ca 0.00 2.31 -0.29 0.00 0.00 0.00 0.00 51.96 53.98 2bud s ALA 451 Cb 0.00 -1.64 -0.10 0.00 0.00 0.00 0.00 23.12 21.38 2bud s ALA 451 CO 0.00 -0.53 1.40 -1.25 0.00 0.00 0.00 175.76 175.38 2bud s PRO 452 N 1.86 4.27 0.37 0.00 0.04 -1.26 -4.71 135.00 135.57 2bud s PRO 452 Ca -0.08 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2bud s PRO 452 Cb -0.06 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.41 2bud s PRO 452 CO -0.18 -0.35 0.00 -0.25 0.04 0.00 0.00 177.00 176.26 2bud n ASP 453 N 1.43 -7.49 0.00 6.66 8.00 -1.26 -5.33 116.55 118.55 2bud n ASP 453 Ca 0.03 1.03 0.00 0.00 0.71 0.00 0.00 54.79 56.56 2bud n ASP 453 Cb 0.41 -3.74 0.00 0.00 -0.02 0.00 0.00 41.12 37.77 2bud n ASP 453 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81