#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 0.00 1.61 3.41 -1.26 -4.68 113.62 112.70 2bud n SER 364 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2bud n SER 364 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2bud n SER 364 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bud n HIS 365 N 0.00 0.00 -0.75 7.33 -0.00 -1.26 -4.87 115.22 115.67 2bud n HIS 365 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.65 2bud n HIS 365 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.89 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 0.00 1.51 -1.79 -1.40 0.00 -1.26 -4.91 117.12 109.27 2bud n MET 366 Ca 0.00 -0.60 -0.42 0.00 0.00 0.00 0.00 57.70 56.67 2bud n MET 366 Cb 0.00 -1.65 -0.03 0.00 0.00 0.00 0.00 33.22 31.54 2bud n MET 366 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 2bud s ASP 367 N 2.06 6.19 0.65 3.17 -4.77 -1.26 -4.83 116.67 117.88 2bud s ASP 367 Ca 0.40 2.19 0.25 0.00 -3.30 0.00 0.00 52.55 52.09 2bud s ASP 367 Cb 0.19 -2.53 1.32 0.00 -1.09 0.00 0.00 42.92 40.81 2bud s ASP 367 CO 0.00 -1.33 1.75 -0.65 0.70 0.00 0.00 175.17 175.64 2bud h PRO 368 N 11.71 0.00 0.00 2.11 0.11 -1.91 -3.39 132.00 140.64 2bud h PRO 368 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2bud h PRO 368 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2bud h PRO 368 CO 0.96 0.00 0.00 1.47 -0.21 0.00 0.00 178.00 180.22 2bud n LEU 369 N -2.99 0.00 0.00 2.35 -0.00 -1.26 -4.99 117.00 110.11 2bud n LEU 369 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.02 2bud n LEU 369 Cb 0.58 0.01 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 2bud n LEU 369 CO 0.14 -0.01 0.00 0.80 -0.00 0.00 0.00 177.39 178.32 2bud n MET 370 N -0.97 0.00 -2.66 1.47 0.00 -1.26 -5.15 117.12 108.55 2bud n MET 370 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 57.70 57.31 2bud n MET 370 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.17 2bud n MET 370 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2bud s GLN 371 N 0.00 4.64 0.50 2.12 -0.21 -1.26 -4.83 119.66 120.62 2bud s GLN 371 Ca 0.00 1.53 0.00 0.00 0.02 0.00 0.00 55.36 56.91 2bud s GLN 371 Cb 0.00 -3.03 0.00 0.00 1.00 0.00 0.00 33.01 30.98 2bud s GLN 371 CO 0.00 0.29 0.00 1.63 -2.12 0.00 0.00 175.29 175.09 2bud n LYS 372 N 0.96 -3.95 -1.62 2.91 5.02 -1.26 -4.78 118.16 115.45 2bud n LYS 372 Ca 0.00 2.99 -0.50 0.00 -2.02 0.00 0.00 58.31 58.78 2bud n LYS 372 Cb 0.48 -3.52 -0.05 0.00 -0.02 0.00 0.00 35.03 31.91 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 -1.60 0.02 -3.58 -0.18 5.41 -1.26 -4.95 119.36 113.23 2bud n ILE 373 Ca 0.00 -0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.38 2bud n ILE 373 Cb 0.19 -1.06 -0.07 0.00 -0.71 0.00 0.00 39.64 37.98 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 0.80 6.37 0.07 4.38 1.11 -1.26 -4.99 116.67 123.16 2bud s ASP 374 Ca 0.84 0.43 -0.18 0.00 0.18 0.00 0.00 52.55 53.82 2bud s ASP 374 Cb -0.87 -2.16 -0.10 0.00 1.07 0.00 0.00 42.92 40.85 2bud s ASP 374 CO 0.45 0.11 1.43 0.40 1.18 0.00 0.00 175.17 178.74 2bud h ILE 375 N 4.71 1.30 0.00 0.77 2.04 -1.93 -3.33 117.51 121.07 2bud h ILE 375 Ca -0.41 -1.18 -0.41 0.00 1.00 0.00 0.00 64.86 63.87 2bud h ILE 375 Cb 1.16 1.59 0.02 0.00 -0.74 0.00 0.00 36.82 38.85 2bud h ILE 375 CO 0.75 0.36 2.42 -1.20 0.00 0.00 0.00 178.15 180.48 2bud n SER 376 N -4.52 4.03 0.00 1.72 7.64 -1.26 -2.71 113.62 118.52 2bud n SER 376 Ca -0.04 -2.37 0.00 0.00 1.01 0.00 0.00 58.87 57.46 2bud n SER 376 Cb 0.34 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 2bud n SER 376 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2bud n GLU 377 N 4.87 0.00 -2.68 1.43 -0.58 -1.25 -4.99 120.64 117.44 2bud n GLU 377 Ca 0.42 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 57.11 2bud n GLU 377 Cb 0.18 -0.31 0.09 0.00 -0.57 0.00 0.00 31.44 30.82 2bud n GLU 377 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2bud n ASN 378 N -0.87 -1.58 -0.33 1.62 2.04 -1.10 -5.03 115.26 110.01 2bud n ASN 378 Ca 0.00 -2.19 0.16 0.00 -0.44 0.00 0.00 54.58 52.11 2bud n ASN 378 Cb 0.00 1.12 0.40 0.00 -2.53 0.00 0.00 39.78 38.77 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 2.92 0.59 -0.61 -0.53 0.11 -1.87 0.21 132.00 132.82 2bud h PRO 379 Ca -0.24 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 2bud h PRO 379 Cb 1.18 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 2bud h PRO 379 CO -0.03 0.39 0.28 -0.44 -0.21 0.00 0.00 178.00 178.00 2bud h ASP 380 N 0.61 0.79 -2.74 -2.05 3.32 -1.93 -3.43 116.42 110.99 2bud h ASP 380 Ca 0.57 -0.08 -0.59 0.00 0.02 0.00 0.00 57.03 56.94 2bud h ASP 380 Cb 1.10 -0.20 0.11 0.00 0.22 0.00 0.00 39.33 40.56 2bud h ASP 380 CO -0.34 0.68 0.22 1.17 -1.72 0.00 0.00 179.24 179.25 2bud n LYS 381 N -4.34 1.53 -3.02 3.56 4.81 0.73 -4.93 118.16 116.50 2bud n LYS 381 Ca 0.05 0.54 -0.40 0.00 -0.87 0.00 0.00 58.31 57.63 2bud n LYS 381 Cb 0.14 -1.98 -0.05 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 -1.10 5.02 -0.01 3.15 -1.09 -1.26 -4.74 121.20 121.17 2bud s ILE 382 Ca 0.58 1.47 -0.00 0.00 -2.23 0.00 0.00 60.65 60.48 2bud s ILE 382 Cb -0.65 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.13 2bud s ILE 382 CO 0.60 0.21 0.06 -0.31 -1.23 0.00 0.00 174.94 174.27 2bud s TYR 383 N 1.02 3.23 -0.05 3.97 1.51 -0.76 -4.93 117.35 121.35 2bud s TYR 383 Ca 0.38 0.18 -0.19 0.00 -1.01 0.00 0.00 57.07 56.43 2bud s TYR 383 Cb -0.18 -1.73 -0.05 0.00 -0.11 0.00 0.00 41.96 39.90 2bud s TYR 383 CO 0.17 0.53 0.53 -0.06 -1.11 0.00 0.00 175.55 175.61 2bud s PHE 384 N -1.14 3.62 -0.07 2.71 0.40 -1.04 -0.17 117.98 122.28 2bud s PHE 384 Ca 0.21 1.05 0.02 0.00 -0.60 0.00 0.00 56.93 57.62 2bud s PHE 384 Cb -0.12 -2.55 0.01 0.00 0.51 0.00 0.00 43.02 40.87 2bud s PHE 384 CO 0.12 0.31 -0.12 0.42 0.70 0.00 0.00 175.22 176.65 2bud s ILE 385 N 0.05 1.11 -0.22 0.64 1.09 -0.49 -1.10 121.20 122.28 2bud s ILE 385 Ca 0.28 -0.45 -0.17 0.00 -1.10 0.00 0.00 60.65 59.21 2bud s ILE 385 Cb -0.17 -1.03 -0.03 0.00 -1.06 0.00 0.00 42.46 40.17 2bud s ILE 385 CO 0.14 0.35 0.48 -0.60 -0.10 0.00 0.00 174.94 175.21 2bud s ARG 386 N 0.77 4.15 0.71 2.79 3.52 -0.38 -0.31 118.95 130.20 2bud s ARG 386 Ca -0.13 0.32 -0.12 0.00 -0.13 0.00 0.00 55.73 55.67 2bud s ARG 386 Cb -0.15 -3.58 0.02 0.00 -1.56 0.00 0.00 34.95 29.68 2bud s ARG 386 CO 0.02 -0.18 1.09 1.03 -0.81 0.00 0.00 175.30 176.46 2bud s ARG 387 N 1.74 2.61 0.41 5.12 0.52 -1.06 -4.73 118.95 123.56 2bud s ARG 387 Ca 0.22 1.20 0.20 0.00 -0.52 0.00 0.00 55.73 56.82 2bud s ARG 387 Cb -0.15 -1.94 1.14 0.00 0.52 0.00 0.00 34.95 34.51 2bud s ARG 387 CO 0.09 -1.37 1.79 1.05 0.02 0.00 0.00 175.30 176.88 2bud h GLU 388 N -0.60 0.35 -0.16 3.54 4.11 -1.97 0.24 114.58 120.09 2bud h GLU 388 Ca -0.45 -0.02 -0.17 0.00 0.07 0.00 0.00 59.36 58.79 2bud h GLU 388 Cb 1.23 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 2bud h GLU 388 CO 0.53 0.23 -0.61 0.38 0.07 0.00 0.00 179.01 179.62 2bud h ASP 389 N 0.36 0.61 0.00 3.06 3.04 -2.01 -3.48 116.42 118.01 2bud h ASP 389 Ca 0.57 -0.35 0.00 0.00 -3.24 0.00 0.00 57.03 54.01 2bud h ASP 389 Cb 1.50 -0.18 0.00 0.00 -1.04 0.00 0.00 39.33 39.61 2bud h ASP 389 CO -0.25 1.08 0.00 0.61 -2.04 0.00 0.00 179.24 178.64 2bud n GLY 390 N 0.37 2.92 3.60 7.15 0.00 0.83 -4.89 105.19 115.17 2bud n GLY 390 Ca -0.04 -0.45 -0.44 0.00 0.00 0.00 0.00 46.02 45.10 2bud n GLY 390 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bud n THR 391 N 0.00 0.41 -2.39 2.61 -2.24 -1.26 -4.38 114.28 107.03 2bud n THR 391 Ca 0.00 -0.37 -0.38 0.00 -2.27 0.00 0.00 64.05 61.04 2bud n THR 391 Cb 0.00 -2.39 -0.03 0.00 -2.10 0.00 0.00 70.33 65.82 2bud n THR 391 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2bud s VAL 392 N 7.32 3.38 -0.14 2.28 1.01 -1.26 -2.56 120.40 130.43 2bud s VAL 392 Ca 0.99 1.11 -0.13 0.00 0.00 0.00 0.00 61.98 63.96 2bud s VAL 392 Cb -0.43 -3.60 0.04 0.00 0.00 0.00 0.00 36.38 32.39 2bud s VAL 392 CO 0.39 0.06 0.38 -1.00 0.00 0.00 0.00 175.10 174.93 2bud s HIS 393 N -1.51 -0.42 0.68 5.22 3.76 0.57 -4.33 115.29 119.27 2bud s HIS 393 Ca 0.58 1.02 -0.17 0.00 -0.15 0.00 0.00 55.06 56.33 2bud s HIS 393 Cb -0.27 0.14 0.01 0.00 1.11 0.00 0.00 32.58 33.57 2bud s HIS 393 CO 0.34 -0.20 1.28 1.03 -0.85 0.00 0.00 174.74 176.34 2bud s ARG 394 N 0.23 2.33 -0.29 1.40 0.52 -1.26 -1.40 118.95 120.49 2bud s ARG 394 Ca -0.00 2.01 -0.21 0.00 -0.52 0.00 0.00 55.73 57.01 2bud s ARG 394 Cb -0.03 -1.83 0.14 0.00 0.52 0.00 0.00 34.95 33.76 2bud s ARG 394 CO 0.00 -1.75 1.04 0.20 0.02 0.00 0.00 175.30 174.81 2bud s GLY 395 N -1.55 -0.03 -0.41 -3.53 0.00 0.76 -3.59 107.32 98.97 2bud s GLY 395 Ca 0.81 2.98 -0.20 0.00 0.00 0.00 0.00 44.72 48.31 2bud s GLY 395 CO 0.42 2.21 0.62 1.20 0.00 0.00 0.00 173.10 177.56 2bud s GLN 396 N 0.75 3.40 0.10 2.90 -0.21 -0.97 -1.82 119.66 123.81 2bud s GLN 396 Ca -0.02 -0.27 -0.30 0.00 0.02 0.00 0.00 55.36 54.78 2bud s GLN 396 Cb -0.04 -3.90 -0.06 0.00 1.00 0.00 0.00 33.01 30.00 2bud s GLN 396 CO -0.11 -0.91 1.09 0.08 -2.12 0.00 0.00 175.29 173.33 2bud s VAL 397 N 2.73 4.17 0.00 1.09 1.01 -1.26 -1.22 120.40 126.92 2bud s VAL 397 Ca 0.22 1.70 0.00 0.00 0.00 0.00 0.00 61.98 63.90 2bud s VAL 397 Cb -0.14 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.15 2bud s VAL 397 CO 0.17 0.21 0.00 0.18 0.00 0.00 0.00 175.10 175.66 2bud n LEU 398 N 3.17 1.98 -4.53 3.92 4.77 -1.17 -4.81 117.00 120.33 2bud n LEU 398 Ca 0.05 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.77 2bud n LEU 398 Cb 0.47 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.48 2bud n LEU 398 CO 0.54 0.32 -0.20 -1.10 -1.33 0.00 0.00 177.39 175.61 2bud s GLN 399 N -1.95 1.93 0.08 3.23 -1.52 -1.26 -4.92 119.66 115.25 2bud s GLN 399 Ca 0.00 -2.17 -0.17 0.00 -1.95 0.00 0.00 55.36 51.06 2bud s GLN 399 Cb 0.00 -0.69 0.04 0.00 -0.22 0.00 0.00 33.01 32.14 2bud s GLN 399 CO 0.00 -0.45 0.40 -1.54 -0.25 0.00 0.00 175.29 173.45 2bud s SER 400 N -3.62 -0.26 -0.19 5.90 1.04 -1.26 0.04 113.70 115.36 2bud s SER 400 Ca 0.23 -0.16 -0.16 0.00 0.48 0.00 0.00 55.95 56.35 2bud s SER 400 Cb 0.03 0.45 0.05 0.00 0.10 0.00 0.00 66.02 66.65 2bud s SER 400 CO 0.14 -0.76 0.50 0.00 0.98 0.00 0.00 173.24 174.11 2bud s ARG 401 N -3.12 0.56 -0.10 4.02 1.70 0.17 -4.94 118.95 117.24 2bud s ARG 401 Ca -0.01 0.77 -0.12 0.00 -0.47 0.00 0.00 55.73 55.89 2bud s ARG 401 Cb 0.01 0.21 -0.05 0.00 -0.57 0.00 0.00 34.95 34.55 2bud s ARG 401 CO -0.07 -0.10 0.29 0.95 -1.08 0.00 0.00 175.30 175.29 2bud s THR 402 N 0.62 5.27 0.65 4.99 -4.23 -1.26 -0.17 115.64 121.50 2bud s THR 402 Ca -0.03 0.55 -0.11 0.00 -1.18 0.00 0.00 61.69 60.92 2bud s THR 402 Cb -0.05 -3.59 0.17 0.00 1.34 0.00 0.00 72.50 70.37 2bud s THR 402 CO -0.04 0.52 0.43 0.41 -0.54 0.00 0.00 174.62 175.39 2bud n THR 403 N 2.56 0.00 -0.36 3.99 -1.04 -1.23 -4.73 114.28 113.47 2bud n THR 403 Ca -0.15 -0.06 0.10 0.00 -2.04 0.00 0.00 64.05 61.90 2bud n THR 403 Cb 0.53 -0.63 0.27 0.00 -1.82 0.00 0.00 70.33 68.68 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 0.87 -0.12 -2.82 4.39 -1.98 -2.07 114.58 112.84 2bud h GLU 404 Ca -0.18 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.50 2bud h GLU 404 Cb 0.60 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 29.02 2bud h GLU 404 CO 0.11 0.57 -0.10 -0.97 -1.16 0.00 0.00 179.01 177.47 2bud h ASN 405 N 0.89 -0.31 -6.02 1.42 -0.73 -1.96 -3.47 115.58 105.41 2bud h ASN 405 Ca 0.53 0.06 -0.39 0.00 1.87 0.00 0.00 56.30 58.38 2bud h ASN 405 Cb 0.66 0.16 0.10 0.00 0.27 0.00 0.00 38.32 39.51 2bud h ASN 405 CO -0.32 -0.13 -0.88 0.00 -0.37 0.00 0.00 177.43 175.73 2bud n ALA 406 N -2.44 -2.32 -1.95 1.57 0.00 -0.78 -4.85 120.51 109.74 2bud n ALA 406 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2bud n ALA 406 Cb 0.16 -3.60 0.00 0.00 0.00 0.00 0.00 19.45 16.01 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 -4.02 1.06 0.00 0.00 0.00 -1.26 -4.97 120.51 111.31 2bud n ALA 407 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2bud n ALA 407 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 -1.78 0.00 0.00 -1.26 -5.14 120.51 112.33 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 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.81 4.13 -0.30 0.00 0.02 -1.26 -5.01 135.00 130.78 2bud s PRO 409 Ca 0.00 2.55 -0.16 0.00 0.02 0.00 0.00 61.00 63.40 2bud s PRO 409 Cb 0.00 -3.00 0.18 0.00 0.02 0.00 0.00 34.50 31.70 2bud s PRO 409 CO 0.00 -0.54 1.10 0.16 -0.33 0.00 0.00 177.00 177.39 2bud s ASP 410 N 0.07 -0.36 -0.02 2.53 -4.77 -1.25 -3.57 116.67 109.31 2bud s ASP 410 Ca 0.56 0.52 0.03 0.00 -3.30 0.00 0.00 52.55 50.36 2bud s ASP 410 Cb -0.46 1.33 -0.03 0.00 -1.09 0.00 0.00 42.92 42.67 2bud s ASP 410 CO 0.57 -0.07 -0.11 -1.61 0.70 0.00 0.00 175.17 174.65 2bud s GLU 411 N 1.94 2.50 -0.20 2.11 8.01 0.76 -3.99 118.70 129.82 2bud s GLU 411 Ca -0.04 -0.72 -0.05 0.00 0.01 0.00 0.00 54.97 54.18 2bud s GLU 411 Cb -0.04 -2.44 -0.02 0.00 -4.31 0.00 0.00 34.13 27.32 2bud s GLU 411 CO -0.16 0.61 -0.01 0.71 0.01 0.00 0.00 175.26 176.43 2bud s TYR 412 N -0.88 3.02 0.63 1.61 1.51 -1.08 -0.65 117.35 121.52 2bud s TYR 412 Ca 0.14 -0.52 -0.18 0.00 -1.01 0.00 0.00 57.07 55.50 2bud s TYR 412 Cb -0.11 -2.08 -0.02 0.00 -0.11 0.00 0.00 41.96 39.64 2bud s TYR 412 CO 0.04 -0.28 1.26 -0.47 -1.11 0.00 0.00 175.55 174.99 2bud s TYR 413 N 1.05 2.19 -0.16 2.71 5.04 0.11 -3.17 117.35 125.11 2bud s TYR 413 Ca 0.02 1.50 -0.10 0.00 -2.44 0.00 0.00 57.07 56.05 2bud s TYR 413 Cb -0.14 -3.61 0.05 0.00 0.35 0.00 0.00 41.96 38.61 2bud s TYR 413 CO 0.01 -2.66 0.39 0.54 -1.34 0.00 0.00 175.55 172.50 2bud s VAL 414 N -1.49 -0.02 -0.64 3.14 0.11 -0.48 -3.05 120.40 117.97 2bud s VAL 414 Ca 0.80 0.08 -0.04 0.00 -2.93 0.00 0.00 61.98 59.89 2bud s VAL 414 Cb -0.35 -0.57 0.17 0.00 -1.53 0.00 0.00 36.38 34.09 2bud s VAL 414 CO 0.37 0.03 0.47 -2.28 -3.33 0.00 0.00 175.10 170.37 2bud s HIS 415 N 1.12 3.46 0.24 1.54 2.46 -0.36 -2.03 115.29 121.72 2bud s HIS 415 Ca -0.07 -2.59 -0.31 0.00 0.47 0.00 0.00 55.06 52.55 2bud s HIS 415 Cb -0.07 -3.29 -0.14 0.00 -0.13 0.00 0.00 32.58 28.95 2bud s HIS 415 CO -0.09 -0.87 1.31 0.66 -2.47 0.00 0.00 174.74 173.27 2bud n TYR 416 N 3.62 1.90 0.00 3.88 4.02 -1.26 -2.30 117.16 127.02 2bud n TYR 416 Ca 0.08 0.52 0.00 0.00 -0.01 0.00 0.00 57.90 58.49 2bud n TYR 416 Cb 0.39 -2.40 0.00 0.00 -0.02 0.00 0.00 39.34 37.31 2bud n TYR 416 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2bud n VAL 417 N 1.51 0.00 -0.65 -0.72 0.31 -1.24 -4.37 118.33 113.17 2bud n VAL 417 Ca 0.11 0.00 0.50 0.00 -0.01 0.00 0.00 64.34 64.94 2bud n VAL 417 Cb 0.30 0.00 0.77 0.00 -0.91 0.00 0.00 33.84 34.00 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 0.92 -0.96 3.75 2.92 0.00 -1.26 -4.54 105.19 106.02 2bud n GLY 418 Ca 0.00 0.65 -0.41 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.82 4.63 -4.57 0.99 4.32 -1.26 -4.93 117.00 112.36 2bud n LEU 419 Ca 0.42 1.17 -0.35 0.00 -0.02 0.00 0.00 56.01 57.23 2bud n LEU 419 Cb 1.95 -1.58 0.10 0.00 -1.62 0.00 0.00 43.42 42.27 2bud n LEU 419 CO 0.42 -0.15 0.39 -3.20 -1.22 0.00 0.00 177.39 173.63 2bud n ASN 420 N 0.24 -0.15 -0.06 -1.43 5.15 -1.26 -4.85 115.26 112.90 2bud n ASN 420 Ca 0.04 0.58 0.23 0.00 -0.60 0.00 0.00 54.58 54.83 2bud n ASN 420 Cb 0.39 -1.36 0.71 0.00 -0.53 0.00 0.00 39.78 38.99 2bud n ASN 420 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 2bud h ARG 421 N -0.62 0.00 -0.96 1.20 3.08 -1.91 -1.96 114.38 113.20 2bud h ARG 421 Ca -0.46 0.00 0.15 0.00 0.07 0.00 0.00 59.98 59.74 2bud h ARG 421 Cb 1.32 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.28 2bud h ARG 421 CO 0.44 0.00 0.57 0.07 -1.07 0.00 0.00 179.97 179.98 2bud h ARG 422 N 0.00 0.78 -0.16 0.04 0.11 -2.00 -0.60 114.38 112.55 2bud h ARG 422 Ca 0.31 -0.05 -0.15 0.00 0.10 0.00 0.00 59.98 60.19 2bud h ARG 422 Cb 1.26 -0.18 -0.01 0.00 1.11 0.00 0.00 29.97 32.15 2bud h ARG 422 CO -0.00 0.52 -0.54 -0.07 0.10 0.00 0.00 179.97 179.98 2bud h LEU 423 N 0.81 0.51 -9.58 0.08 -0.00 -1.69 -3.44 115.31 101.99 2bud h LEU 423 Ca 0.52 -0.27 -0.56 0.00 -0.00 0.00 0.00 57.88 57.58 2bud h LEU 423 Cb 0.69 -0.14 0.06 0.00 -0.00 0.00 0.00 40.66 41.27 2bud h LEU 423 CO -0.34 0.95 0.87 0.47 -0.00 0.00 0.00 178.44 180.39 2bud n ASP 424 N -3.95 3.46 0.00 -0.43 9.92 -0.24 -4.83 116.55 120.49 2bud n ASP 424 Ca -0.03 1.08 0.00 0.00 -0.53 0.00 0.00 54.79 55.31 2bud n ASP 424 Cb 0.59 -1.49 0.00 0.00 -0.64 0.00 0.00 41.12 39.58 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 3.50 -0.73 3.87 0.44 0.00 -0.86 -4.99 105.19 106.41 2bud n GLY 425 Ca 0.16 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 3.58 0.01 1.61 0.52 -1.26 -1.38 118.94 118.01 2bud s TRP 426 Ca 0.00 0.51 -0.00 0.00 0.02 0.00 0.00 56.10 56.62 2bud s TRP 426 Cb 0.00 -1.93 -0.01 0.00 -1.15 0.00 0.00 33.47 30.38 2bud s TRP 426 CO 0.00 0.72 -0.01 0.14 0.02 0.00 0.00 176.95 177.83 2bud s VAL 427 N -1.03 0.06 0.58 4.03 -7.23 -1.19 -4.97 120.40 110.65 2bud s VAL 427 Ca 0.15 -0.51 -0.20 0.00 -1.81 0.00 0.00 61.98 59.61 2bud s VAL 427 Cb -0.12 -0.16 -0.04 0.00 0.56 0.00 0.00 36.38 36.62 2bud s VAL 427 CO 0.04 -0.28 1.34 0.61 -0.31 0.00 0.00 175.10 176.50 2bud n GLY 428 N 2.23 0.70 0.37 2.32 0.00 -1.26 -2.62 105.19 106.93 2bud n GLY 428 Ca -0.19 -0.04 0.15 0.00 0.00 0.00 0.00 46.02 45.94 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 1.12 0.65 -0.19 1.61 9.65 -1.91 0.54 114.38 125.85 2bud h ARG 429 Ca -0.51 -0.04 0.05 0.00 -1.10 0.00 0.00 59.98 58.39 2bud h ARG 429 Cb 1.32 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.74 2bud h ARG 429 CO 0.56 0.43 0.15 1.12 2.80 0.00 0.00 179.97 185.02 2bud h HIS 430 N 0.67 0.00 0.13 2.20 2.07 -1.92 -2.34 115.15 115.97 2bud h HIS 430 Ca 0.57 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 57.80 2bud h HIS 430 Cb 1.02 0.00 0.02 0.00 2.57 0.00 0.00 27.41 31.02 2bud h HIS 430 CO -0.00 0.00 -1.26 0.00 -3.07 0.00 0.00 177.93 173.60 2bud h ARG 431 N 0.00 0.53 -6.07 5.12 3.08 -1.17 -3.45 114.38 112.42 2bud h ARG 431 Ca 0.09 -0.75 -0.56 0.00 0.07 0.00 0.00 59.98 58.83 2bud h ARG 431 Cb 0.38 0.26 -0.05 0.00 0.08 0.00 0.00 29.97 30.64 2bud h ARG 431 CO -0.00 1.34 0.02 0.42 -1.07 0.00 0.00 179.97 180.68 2bud s ILE 432 N -2.89 4.94 -0.18 2.04 1.01 -0.88 -1.25 121.20 123.98 2bud s ILE 432 Ca -0.08 1.32 -0.28 0.00 0.00 0.00 0.00 60.65 61.61 2bud s ILE 432 Cb 0.06 -3.97 0.10 0.00 0.01 0.00 0.00 42.46 38.66 2bud s ILE 432 CO 0.92 0.36 0.89 -0.44 0.00 0.00 0.00 174.94 176.67 2bud s SER 433 N 0.14 -0.52 0.00 3.58 0.01 -0.26 -4.90 113.70 111.75 2bud s SER 433 Ca 0.33 0.77 0.00 0.00 1.31 0.00 0.00 55.95 58.36 2bud s SER 433 Cb -0.18 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.75 2bud s SER 433 CO 0.18 -0.34 0.38 -0.90 0.41 0.00 0.00 173.24 172.97 2bud n ASP 434 N 1.48 0.37 -3.64 2.44 5.75 -1.26 -2.50 116.55 119.18 2bud n ASP 434 Ca -0.13 -1.13 -0.07 0.00 -0.01 0.00 0.00 54.79 53.45 2bud n ASP 434 Cb 0.57 -0.18 -0.07 0.00 -1.03 0.00 0.00 41.12 40.41 2bud n ASP 434 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2bud s ASN 435 N -0.79 -0.62 0.19 -1.12 2.20 -1.26 -4.94 114.94 108.60 2bud s ASN 435 Ca 0.00 1.06 0.20 0.00 -0.94 0.00 0.00 52.86 53.18 2bud s ASN 435 Cb 0.00 1.19 0.86 0.00 -2.00 0.00 0.00 41.25 41.30 2bud s ASN 435 CO 0.00 -0.17 1.61 0.00 -2.94 0.00 0.00 177.10 175.60 2bud n ALA 436 N 3.31 1.58 -0.33 3.54 0.00 -1.26 -3.14 120.51 124.20 2bud n ALA 436 Ca -0.17 0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.37 2bud n ALA 436 Cb 0.57 -1.33 0.19 0.00 0.00 0.00 0.00 19.45 18.89 2bud n ALA 436 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2bud h ASP 437 N 0.00 0.84 0.60 0.00 5.19 -1.96 0.11 116.42 121.19 2bud h ASP 437 Ca 0.00 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 2bud h ASP 437 Cb 0.29 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.67 2bud h ASP 437 CO 0.00 0.48 -0.05 0.47 -3.12 0.00 0.00 179.24 177.02 2bud n ASP 438 N -4.65 0.13 0.00 6.45 9.92 -1.19 -4.55 116.55 122.66 2bud n ASP 438 Ca 0.16 -0.13 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 2bud n ASP 438 Cb 0.29 -0.25 0.00 0.00 -0.64 0.00 0.00 41.12 40.51 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 -1.26 0.00 -1.77 0.64 4.32 0.32 -5.03 117.00 114.22 2bud n LEU 439 Ca 0.13 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 56.10 2bud n LEU 439 Cb 0.27 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.11 2bud n LEU 439 CO 0.24 0.00 0.37 0.61 -1.22 0.00 0.00 177.39 177.39 2bud n GLY 440 N 3.33 0.23 1.15 -0.72 0.00 -0.90 -5.06 105.19 103.22 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 -4.21 3.69 -0.02 0.00 -1.14 -4.79 105.19 98.18 2bud n GLY 441 Ca -0.08 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 2bud n GLY 441 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bud s ILE 442 N -2.87 2.87 0.00 -0.61 -1.09 -1.26 -4.24 121.20 114.00 2bud s ILE 442 Ca 0.00 0.39 0.00 0.00 -2.23 0.00 0.00 60.65 58.81 2bud s ILE 442 Cb 0.00 -3.25 0.00 0.00 -1.58 0.00 0.00 42.46 37.63 2bud s ILE 442 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 174.94 174.78 2bud n THR 443 N 4.60 0.00 -3.93 2.92 5.66 -1.26 -4.84 114.28 117.43 2bud n THR 443 Ca 0.16 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.79 2bud n THR 443 Cb 0.40 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.19 2bud n THR 443 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 2bud n VAL 444 N 0.00 -3.85 -4.27 1.08 3.14 -1.26 -4.87 118.33 108.30 2bud n VAL 444 Ca 0.00 -0.72 -0.17 0.00 -2.96 0.00 0.00 64.34 60.48 2bud n VAL 444 Cb 0.00 -3.03 -0.14 0.00 -1.06 0.00 0.00 33.84 29.61 2bud n VAL 444 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2bud s LEU 445 N -7.02 2.05 0.00 6.55 1.43 -1.26 -5.04 118.68 115.39 2bud s LEU 445 Ca 0.39 -0.21 -0.03 0.00 -1.03 0.00 0.00 54.13 53.25 2bud s LEU 445 Cb -0.18 -0.39 -0.13 0.00 0.03 0.00 0.00 46.19 45.53 2bud s LEU 445 CO 0.92 0.06 2.39 -0.81 0.23 0.00 0.00 176.35 179.14 2bud n PRO 446 N 2.66 1.25 -1.85 1.29 -0.04 -1.26 -4.92 135.00 132.12 2bud n PRO 446 Ca -0.15 -0.47 -0.41 0.00 -0.04 0.00 0.00 63.50 62.43 2bud n PRO 446 Cb 0.57 -1.58 -0.02 0.00 -0.04 0.00 0.00 33.50 32.44 2bud n PRO 446 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bud s ALA 447 N 1.03 3.69 0.17 0.55 0.00 -1.26 -4.93 121.76 121.01 2bud s ALA 447 Ca 0.31 1.50 -0.32 0.00 0.00 0.00 0.00 51.96 53.46 2bud s ALA 447 Cb 0.15 -3.62 -0.10 0.00 0.00 0.00 0.00 23.12 19.55 2bud s ALA 447 CO 0.00 -0.92 1.58 -1.25 0.00 0.00 0.00 175.76 175.17 2bud s PRO 448 N -0.64 4.21 0.02 0.00 0.04 -1.26 -4.94 135.00 132.43 2bud s PRO 448 Ca 0.61 2.37 -0.30 0.00 0.04 0.00 0.00 61.00 63.72 2bud s PRO 448 Cb -0.46 -3.15 -0.07 0.00 0.04 0.00 0.00 34.50 30.86 2bud s PRO 448 CO 0.48 -0.61 1.52 -1.25 0.04 0.00 0.00 177.00 177.18 2bud s PRO 449 N 1.14 4.24 0.03 0.56 0.04 -1.26 -5.00 135.00 134.76 2bud s PRO 449 Ca 0.70 2.13 -0.21 0.00 0.04 0.00 0.00 61.00 63.66 2bud s PRO 449 Cb -0.44 -3.61 -0.06 0.00 0.04 0.00 0.00 34.50 30.43 2bud s PRO 449 CO 0.31 -0.66 0.61 -1.17 0.04 0.00 0.00 177.00 176.13 2bud s LEU 450 N 2.62 4.46 0.33 -3.56 2.96 -1.26 -5.03 118.68 119.20 2bud s LEU 450 Ca 0.68 1.25 -0.29 0.00 -0.22 0.00 0.00 54.13 55.55 2bud s LEU 450 Cb -0.35 -2.97 -0.11 0.00 0.50 0.00 0.00 46.19 43.26 2bud s LEU 450 CO 0.29 0.15 1.53 0.00 -1.32 0.00 0.00 176.35 177.00 2bud s ALA 451 N -0.49 3.66 0.21 5.97 0.00 -1.26 -4.92 121.76 124.94 2bud s ALA 451 Ca 0.31 1.55 -0.31 0.00 0.00 0.00 0.00 51.96 53.51 2bud s ALA 451 Cb -0.19 -3.62 -0.11 0.00 0.00 0.00 0.00 23.12 19.19 2bud s ALA 451 CO 0.19 -0.99 1.66 -1.25 0.00 0.00 0.00 175.76 175.36 2bud s PRO 452 N -1.22 4.15 -0.19 0.00 0.04 -1.26 -4.86 135.00 131.66 2bud s PRO 452 Ca 0.58 2.54 0.02 0.00 0.04 0.00 0.00 61.00 64.18 2bud s PRO 452 Cb -0.47 -3.08 0.08 0.00 0.04 0.00 0.00 34.50 31.07 2bud s PRO 452 CO 0.54 -0.69 0.88 -0.40 0.04 0.00 0.00 177.00 177.37 2bud n ASP 453 N 3.64 -0.71 0.00 6.66 5.75 -1.26 -5.35 116.55 125.27 2bud n ASP 453 Ca 0.14 -1.45 0.00 0.00 -0.01 0.00 0.00 54.79 53.47 2bud n ASP 453 Cb 0.36 0.55 0.02 0.00 -1.03 0.00 0.00 41.12 41.02 2bud n ASP 453 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09