#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 -0.35 0.02 1.61 1.04 -1.26 -5.11 113.70 109.65 2bud s SER 364 Ca 0.00 0.56 -0.00 0.00 0.48 0.00 0.00 55.95 56.99 2bud s SER 364 Cb 0.00 1.10 0.00 0.00 0.10 0.00 0.00 66.02 67.22 2bud s SER 364 CO 0.00 -0.09 0.00 1.57 0.98 0.00 0.00 173.24 175.70 2bud n HIS 365 N 3.37 -4.75 -2.31 5.02 -0.00 -1.26 -4.88 115.22 110.41 2bud n HIS 365 Ca -0.18 2.82 -0.42 0.00 -0.00 0.00 0.00 57.72 59.95 2bud n HIS 365 Cb 0.57 -3.79 -0.03 0.00 -0.00 0.00 0.00 29.99 26.74 2bud n HIS 365 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2bud s MET 366 N -0.59 4.39 0.68 1.57 1.00 -1.26 -4.99 119.30 120.09 2bud s MET 366 Ca -0.00 1.91 -0.17 0.00 0.00 0.00 0.00 55.69 57.42 2bud s MET 366 Cb 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 34.83 31.54 2bud s MET 366 CO 0.01 -0.32 1.28 -0.25 0.00 0.00 0.00 175.02 175.73 2bud n ASP 367 N 3.81 1.89 -1.57 3.03 8.00 -1.26 -4.83 116.55 125.62 2bud n ASP 367 Ca 0.10 0.79 0.00 0.00 0.71 0.00 0.00 54.79 56.38 2bud n ASP 367 Cb 0.44 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.00 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 -2.13 0.64 0.00 -0.24 -0.04 -1.26 -3.15 135.00 128.82 2bud n PRO 368 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2bud n PRO 368 Cb 0.48 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 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 1.52 0.00 -1.25 1.53 -0.00 -1.26 -4.94 117.00 112.60 2bud n LEU 369 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2bud n LEU 369 Cb 0.32 0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.76 2bud n LEU 369 CO 0.00 -0.02 0.64 0.80 -0.00 0.00 0.00 177.39 178.81 2bud n MET 370 N -1.08 0.88 -1.50 1.96 1.56 -1.19 -4.62 117.12 113.14 2bud n MET 370 Ca 0.00 0.00 -0.40 0.00 -0.27 0.00 0.00 57.70 57.03 2bud n MET 370 Cb 0.00 -1.06 -0.02 0.00 2.15 0.00 0.00 33.22 34.29 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 1.00 3.53 -1.55 2.12 6.02 -1.25 -4.67 117.38 122.58 2bud n GLN 371 Ca 0.00 -2.43 0.00 0.00 -0.01 0.00 0.00 57.00 54.56 2bud n GLN 371 Cb 0.44 -2.93 0.00 0.00 1.02 0.00 0.00 30.24 28.78 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 4.15 -3.33 -1.61 -1.09 2.85 -1.26 -4.75 118.16 113.12 2bud n LYS 372 Ca 0.69 2.47 -0.52 0.00 -1.05 0.00 0.00 58.31 59.90 2bud n LYS 372 Cb 0.28 -2.94 -0.06 0.00 -0.65 0.00 0.00 35.03 31.66 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 -0.64 0.03 -3.21 0.58 5.41 -1.26 -4.94 119.36 115.33 2bud n ILE 373 Ca 0.00 -0.01 -0.39 0.00 1.00 0.00 0.00 62.75 63.36 2bud n ILE 373 Cb 0.00 -0.90 -0.05 0.00 -0.71 0.00 0.00 39.64 37.97 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 0.78 6.82 -0.05 4.38 1.01 -1.26 -4.98 116.67 123.36 2bud s ASP 374 Ca 0.85 0.98 -0.19 0.00 0.71 0.00 0.00 52.55 54.90 2bud s ASP 374 Cb -0.94 -2.34 -0.31 0.00 1.01 0.00 0.00 42.92 40.34 2bud s ASP 374 CO 0.48 -0.02 0.81 0.40 0.21 0.00 0.00 175.17 177.05 2bud h ILE 375 N 4.65 1.34 -0.12 0.77 2.04 -1.96 -3.41 117.51 120.83 2bud h ILE 375 Ca -0.42 -2.52 -0.44 0.00 1.00 0.00 0.00 64.86 62.48 2bud h ILE 375 Cb 1.19 3.04 0.05 0.00 -0.74 0.00 0.00 36.82 40.36 2bud h ILE 375 CO 0.75 0.73 1.34 -1.54 0.00 0.00 0.00 178.15 179.42 2bud n SER 376 N -4.01 2.00 0.00 1.72 3.41 -1.26 -1.96 113.62 113.52 2bud n SER 376 Ca -0.17 -2.60 0.00 0.00 -0.26 0.00 0.00 58.87 55.84 2bud n SER 376 Cb 0.89 -1.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 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 7.78 0.00 -2.70 4.33 0.28 -1.26 -5.02 120.64 124.05 2bud n GLU 377 Ca 0.46 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 57.39 2bud n GLU 377 Cb 0.43 0.00 0.09 0.00 1.43 0.00 0.00 31.44 33.40 2bud n GLU 377 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2bud n ASN 378 N -0.11 -1.89 -0.33 -1.84 2.04 -0.83 -5.01 115.26 107.28 2bud n ASN 378 Ca 0.00 -2.88 0.10 0.00 -0.44 0.00 0.00 54.58 51.36 2bud n ASN 378 Cb 0.00 1.52 0.30 0.00 -2.53 0.00 0.00 39.78 39.07 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 2.49 0.83 -0.19 -0.53 0.11 -1.92 0.85 132.00 133.63 2bud h PRO 379 Ca -0.22 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 2bud h PRO 379 Cb 1.17 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 2bud h PRO 379 CO 0.04 0.55 -0.06 -0.44 -0.21 0.00 0.00 178.00 177.88 2bud h ASP 380 N 0.85 0.27 -1.82 -2.05 3.32 -1.94 -3.44 116.42 111.61 2bud h ASP 380 Ca 0.50 -0.04 -0.66 0.00 0.02 0.00 0.00 57.03 56.84 2bud h ASP 380 Cb 0.66 -0.07 0.04 0.00 0.22 0.00 0.00 39.33 40.18 2bud h ASP 380 CO -0.27 0.37 0.68 1.17 -1.72 0.00 0.00 179.24 179.47 2bud n LYS 381 N -4.32 1.47 -2.87 3.56 4.81 0.29 -4.92 118.16 116.19 2bud n LYS 381 Ca -0.00 0.53 -0.41 0.00 -0.87 0.00 0.00 58.31 57.56 2bud n LYS 381 Cb 0.23 -2.23 -0.04 0.00 0.02 0.00 0.00 35.03 33.01 2bud n LYS 381 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2bud s ILE 382 N 1.54 4.92 -0.05 3.15 -1.09 -1.26 -4.70 121.20 123.70 2bud s ILE 382 Ca 0.87 1.73 -0.03 0.00 -2.23 0.00 0.00 60.65 60.99 2bud s ILE 382 Cb -0.89 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 35.78 2bud s ILE 382 CO 0.49 0.13 0.11 -0.31 -1.23 0.00 0.00 174.94 174.13 2bud s TYR 383 N 1.43 3.43 0.02 3.97 1.51 -0.82 -4.92 117.35 121.98 2bud s TYR 383 Ca 0.43 0.34 -0.16 0.00 -1.01 0.00 0.00 57.07 56.66 2bud s TYR 383 Cb -0.18 -1.83 -0.06 0.00 -0.11 0.00 0.00 41.96 39.78 2bud s TYR 383 CO 0.19 0.62 0.45 -0.06 -1.11 0.00 0.00 175.55 175.64 2bud s PHE 384 N -1.14 3.75 -0.06 2.71 0.40 -1.10 0.03 117.98 122.57 2bud s PHE 384 Ca 0.20 1.07 0.01 0.00 -0.60 0.00 0.00 56.93 57.61 2bud s PHE 384 Cb -0.12 -2.34 0.02 0.00 0.51 0.00 0.00 43.02 41.09 2bud s PHE 384 CO 0.11 0.63 -0.05 0.42 0.70 0.00 0.00 175.22 177.03 2bud s ILE 385 N -1.09 0.62 -0.31 0.64 1.09 -0.76 -1.05 121.20 120.34 2bud s ILE 385 Ca 0.25 -0.13 -0.29 0.00 -1.10 0.00 0.00 60.65 59.38 2bud s ILE 385 Cb -0.17 -0.66 0.02 0.00 -1.06 0.00 0.00 42.46 40.58 2bud s ILE 385 CO 0.15 0.26 1.08 -0.60 -0.10 0.00 0.00 174.94 175.73 2bud s ARG 386 N 1.16 4.08 0.67 2.79 3.52 -0.31 -1.27 118.95 129.59 2bud s ARG 386 Ca -0.07 1.11 -0.15 0.00 -0.13 0.00 0.00 55.73 56.50 2bud s ARG 386 Cb -0.14 -3.73 0.00 0.00 -1.56 0.00 0.00 34.95 29.52 2bud s ARG 386 CO -0.01 -0.88 1.11 1.03 -0.81 0.00 0.00 175.30 175.73 2bud s ARG 387 N 3.62 2.77 0.23 5.12 0.52 -1.04 -4.87 118.95 125.31 2bud s ARG 387 Ca 0.46 1.36 -0.06 0.00 -0.52 0.00 0.00 55.73 56.96 2bud s ARG 387 Cb -0.13 -1.95 0.41 0.00 0.52 0.00 0.00 34.95 33.81 2bud s ARG 387 CO 0.15 -1.27 1.72 0.93 0.02 0.00 0.00 175.30 176.84 2bud h GLU 388 N -0.08 0.36 -0.63 3.54 5.08 -1.95 0.41 114.58 121.31 2bud h GLU 388 Ca -0.46 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 57.96 2bud h GLU 388 Cb 1.24 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 2bud h GLU 388 CO 0.54 0.24 0.42 0.38 -1.00 0.00 0.00 179.01 179.58 2bud h ASP 389 N 0.37 0.48 0.00 1.42 2.03 -2.03 -3.46 116.42 115.22 2bud h ASP 389 Ca 0.39 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.69 2bud h ASP 389 Cb 0.59 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.00 2bud h ASP 389 CO -0.42 0.30 0.00 0.61 -1.03 0.00 0.00 179.24 178.70 2bud n GLY 390 N -1.49 3.15 3.61 7.15 0.00 0.15 -5.09 105.19 112.67 2bud n GLY 390 Ca 0.10 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 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 0.45 -2.44 2.61 -2.24 -1.26 -4.26 114.28 107.14 2bud n THR 391 Ca 0.00 -0.37 -0.39 0.00 -2.27 0.00 0.00 64.05 61.02 2bud n THR 391 Cb 0.00 -2.47 -0.04 0.00 -2.10 0.00 0.00 70.33 65.73 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 7.24 3.45 -0.07 2.28 1.01 -1.26 -2.51 120.40 130.53 2bud s VAL 392 Ca 0.98 1.31 -0.11 0.00 0.00 0.00 0.00 61.98 64.17 2bud s VAL 392 Cb -0.38 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.24 2bud s VAL 392 CO 0.38 0.21 0.27 -1.00 0.00 0.00 0.00 175.10 174.96 2bud s HIS 393 N -1.34 -0.23 0.77 5.22 3.76 -0.40 -4.48 115.29 118.59 2bud s HIS 393 Ca 0.51 0.52 -0.15 0.00 -0.15 0.00 0.00 55.06 55.78 2bud s HIS 393 Cb -0.29 0.08 0.02 0.00 1.11 0.00 0.00 32.58 33.50 2bud s HIS 393 CO 0.37 -0.23 0.88 0.54 -0.85 0.00 0.00 174.74 175.46 2bud n ARG 394 N 2.29 0.30 -3.64 1.40 1.74 -1.26 -1.83 116.66 115.67 2bud n ARG 394 Ca -0.16 0.16 -0.01 0.00 -0.77 0.00 0.00 57.85 57.06 2bud n ARG 394 Cb 0.57 -2.16 -0.06 0.00 -1.02 0.00 0.00 32.46 29.79 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 -1.76 0.13 -0.08 -0.13 0.00 0.10 -3.51 107.32 102.07 2bud s GLY 395 Ca 0.70 3.29 -0.25 0.00 0.00 0.00 0.00 44.72 48.46 2bud s GLY 395 CO 0.54 2.65 0.78 1.20 0.00 0.00 0.00 173.10 178.27 2bud s GLN 396 N 1.31 4.43 -0.13 2.90 -0.21 -0.32 -1.94 119.66 125.70 2bud s GLN 396 Ca -0.09 1.01 -0.12 0.00 0.02 0.00 0.00 55.36 56.19 2bud s GLN 396 Cb -0.03 -3.48 -0.05 0.00 1.00 0.00 0.00 33.01 30.45 2bud s GLN 396 CO -0.14 -0.05 0.25 0.54 -2.12 0.00 0.00 175.29 173.77 2bud s VAL 397 N 1.15 5.32 0.00 1.09 0.11 -1.26 0.45 120.40 127.27 2bud s VAL 397 Ca 0.40 0.46 0.00 0.00 -2.93 0.00 0.00 61.98 59.91 2bud s VAL 397 Cb -0.18 -3.56 0.00 0.00 -1.53 0.00 0.00 36.38 31.11 2bud s VAL 397 CO 0.19 0.49 0.00 0.18 -3.33 0.00 0.00 175.10 172.63 2bud n LEU 398 N 2.83 1.82 -4.64 2.54 4.77 -0.85 -4.96 117.00 118.51 2bud n LEU 398 Ca -0.15 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.54 2bud n LEU 398 Cb 0.53 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 2bud n LEU 398 CO 0.37 0.30 -0.26 -1.10 -1.33 0.00 0.00 177.39 175.37 2bud s GLN 399 N -1.98 2.01 -0.21 3.23 -0.21 -1.26 -4.97 119.66 116.27 2bud s GLN 399 Ca 0.00 -2.22 -0.28 0.00 0.02 0.00 0.00 55.36 52.89 2bud s GLN 399 Cb 0.00 -1.32 0.11 0.00 1.00 0.00 0.00 33.01 32.80 2bud s GLN 399 CO 0.00 -0.27 0.94 -1.54 -2.12 0.00 0.00 175.29 172.30 2bud s SER 400 N -3.73 -0.48 -0.06 5.90 1.04 -1.26 -0.75 113.70 114.36 2bud s SER 400 Ca 0.21 0.75 -0.04 0.00 0.48 0.00 0.00 55.95 57.35 2bud s SER 400 Cb 0.05 0.69 0.03 0.00 0.10 0.00 0.00 66.02 66.89 2bud s SER 400 CO 0.11 -0.29 0.14 0.00 0.98 0.00 0.00 173.24 174.17 2bud s ARG 401 N -0.42 0.12 -0.59 4.02 1.70 -0.49 -4.95 118.95 118.34 2bud s ARG 401 Ca -0.01 0.28 -0.01 0.00 -0.47 0.00 0.00 55.73 55.52 2bud s ARG 401 Cb -0.03 -0.06 0.47 0.00 -0.57 0.00 0.00 34.95 34.76 2bud s ARG 401 CO -0.00 -0.10 2.00 0.25 -1.08 0.00 0.00 175.30 176.37 2bud n THR 402 N 3.65 3.45 -1.40 4.99 -2.24 -1.26 -0.92 114.28 120.55 2bud n THR 402 Ca -0.20 -2.60 0.03 0.00 -2.27 0.00 0.00 64.05 59.01 2bud n THR 402 Cb 0.55 -1.05 -0.01 0.00 -2.10 0.00 0.00 70.33 67.73 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 -0.83 0.00 -0.13 4.28 -1.04 -1.26 -1.20 114.28 114.09 2bud n THR 403 Ca 0.59 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.48 2bud n THR 403 Cb 0.84 -0.07 -0.02 0.00 -1.82 0.00 0.00 70.33 69.26 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 0.83 -0.09 -2.82 5.08 -1.96 -3.25 114.58 112.37 2bud h GLU 404 Ca 0.00 -0.38 0.04 0.00 -1.00 0.00 0.00 59.36 58.02 2bud h GLU 404 Cb 0.18 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 2bud h GLU 404 CO 0.00 1.01 -0.18 -0.97 -1.00 0.00 0.00 179.01 177.88 2bud h ASN 405 N 0.63 -0.55 -5.80 1.42 -0.73 -1.98 -3.47 115.58 105.12 2bud h ASN 405 Ca 0.08 0.09 -0.33 0.00 1.87 0.00 0.00 56.30 58.01 2bud h ASN 405 Cb 0.79 0.25 0.15 0.00 0.27 0.00 0.00 38.32 39.77 2bud h ASN 405 CO 0.06 -0.23 -0.89 0.00 -0.37 0.00 0.00 177.43 176.00 2bud n ALA 406 N -2.59 -2.50 -1.67 1.57 0.00 -0.34 -4.88 120.51 110.10 2bud n ALA 406 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2bud n ALA 406 Cb 0.23 -4.99 0.00 0.00 0.00 0.00 0.00 19.45 14.69 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 -3.67 0.91 0.00 0.00 0.00 -1.26 -4.99 120.51 111.51 2bud n ALA 407 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2bud n ALA 407 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 -1.76 0.00 0.00 -1.26 -4.94 120.51 112.55 2bud n ALA 408 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 2bud n ALA 408 Cb 0.41 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.98 3.36 -0.30 0.00 0.04 -1.26 -5.02 135.00 129.84 2bud s PRO 409 Ca 0.00 2.19 -0.18 0.00 0.04 0.00 0.00 61.00 63.06 2bud s PRO 409 Cb 0.00 -2.37 0.20 0.00 0.04 0.00 0.00 34.50 32.37 2bud s PRO 409 CO 0.00 -1.01 1.27 0.16 0.04 0.00 0.00 177.00 177.46 2bud s ASP 410 N -0.93 -0.08 -0.02 6.66 -4.77 -1.24 -4.12 116.67 112.16 2bud s ASP 410 Ca 0.68 0.12 0.04 0.00 -3.30 0.00 0.00 52.55 50.09 2bud s ASP 410 Cb -0.39 1.07 -0.00 0.00 -1.09 0.00 0.00 42.92 42.50 2bud s ASP 410 CO 0.47 -0.02 -0.13 -1.61 0.70 0.00 0.00 175.17 174.59 2bud s GLU 411 N 1.59 1.16 -0.12 2.11 8.01 -0.10 -3.64 118.70 127.72 2bud s GLU 411 Ca -0.04 -0.45 -0.02 0.00 0.01 0.00 0.00 54.97 54.48 2bud s GLU 411 Cb -0.02 -1.09 -0.03 0.00 -4.31 0.00 0.00 34.13 28.69 2bud s GLU 411 CO -0.13 0.22 -0.05 0.71 0.01 0.00 0.00 175.26 176.02 2bud s TYR 412 N -0.09 2.99 -0.12 1.61 1.51 -0.48 -1.39 117.35 121.37 2bud s TYR 412 Ca 0.01 -0.21 -0.29 0.00 -1.01 0.00 0.00 57.07 55.57 2bud s TYR 412 Cb -0.07 -1.87 -0.03 0.00 -0.11 0.00 0.00 41.96 39.88 2bud s TYR 412 CO 0.00 0.09 1.36 -0.47 -1.11 0.00 0.00 175.55 175.42 2bud s TYR 413 N -0.05 2.66 -0.07 2.71 5.04 0.08 -1.91 117.35 125.81 2bud s TYR 413 Ca 0.01 0.81 0.02 0.00 -2.44 0.00 0.00 57.07 55.46 2bud s TYR 413 Cb -0.13 -3.61 -0.03 0.00 0.35 0.00 0.00 41.96 38.54 2bud s TYR 413 CO 0.03 -2.26 -0.11 0.54 -1.34 0.00 0.00 175.55 172.41 2bud s VAL 414 N 3.47 3.33 -0.53 3.14 0.11 -0.46 -2.00 120.40 127.46 2bud s VAL 414 Ca 0.60 -0.61 0.04 0.00 -2.93 0.00 0.00 61.98 59.08 2bud s VAL 414 Cb -0.25 -2.34 0.13 0.00 -1.53 0.00 0.00 36.38 32.39 2bud s VAL 414 CO 0.20 0.58 0.28 -2.28 -3.33 0.00 0.00 175.10 170.55 2bud s HIS 415 N -0.63 3.12 -0.22 1.54 2.46 0.17 -2.84 115.29 118.90 2bud s HIS 415 Ca 0.09 -3.14 -0.35 0.00 0.47 0.00 0.00 55.06 52.13 2bud s HIS 415 Cb -0.11 -2.73 -0.12 0.00 -0.13 0.00 0.00 32.58 29.49 2bud s HIS 415 CO 0.01 -0.72 1.98 0.66 -2.47 0.00 0.00 174.74 174.20 2bud n TYR 416 N 3.02 2.03 -1.82 3.88 4.02 -1.26 -1.17 117.16 125.85 2bud n TYR 416 Ca 0.07 0.17 -0.42 0.00 -0.01 0.00 0.00 57.90 57.71 2bud n TYR 416 Cb 0.33 -2.59 -0.03 0.00 -0.02 0.00 0.00 39.34 37.02 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 5.31 2.40 0.00 -0.72 1.01 -1.23 -2.91 120.40 124.27 2bud s VAL 417 Ca 1.00 0.22 0.00 0.00 0.00 0.00 0.00 61.98 63.19 2bud s VAL 417 Cb -0.79 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 32.45 2bud s VAL 417 CO 0.52 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.25 2bud n GLY 418 N 3.94 0.98 3.63 4.51 0.00 -1.26 -4.94 105.19 112.04 2bud n GLY 418 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 2.55 -4.58 0.99 4.32 -1.14 -4.89 117.00 114.24 2bud n LEU 419 Ca 0.00 0.35 -0.44 0.00 -0.02 0.00 0.00 56.01 55.90 2bud n LEU 419 Cb 0.00 -1.43 -0.01 0.00 -1.62 0.00 0.00 43.42 40.35 2bud n LEU 419 CO 0.00 -2.39 0.52 0.59 -1.22 0.00 0.00 177.39 174.89 2bud n ASN 420 N -4.14 1.06 -0.08 -1.43 4.13 -1.26 -4.87 115.26 108.66 2bud n ASN 420 Ca 0.11 1.14 -0.04 0.00 1.68 0.00 0.00 54.58 57.47 2bud n ASN 420 Cb 0.52 -1.27 0.18 0.00 -1.54 0.00 0.00 39.78 37.67 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 1.81 0.73 -0.75 3.52 3.08 -1.91 -2.60 114.38 118.25 2bud h ARG 421 Ca -0.40 -0.20 0.11 0.00 0.07 0.00 0.00 59.98 59.57 2bud h ARG 421 Cb 1.35 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 31.26 2bud h ARG 421 CO 0.59 0.76 0.50 0.07 -1.07 0.00 0.00 179.97 180.82 2bud h ARG 422 N 0.68 0.58 -0.57 0.04 0.11 -2.01 -0.47 114.38 112.74 2bud h ARG 422 Ca 0.13 -0.03 0.03 0.00 0.10 0.00 0.00 59.98 60.21 2bud h ARG 422 Cb 0.46 -0.13 -0.03 0.00 1.11 0.00 0.00 29.97 31.37 2bud h ARG 422 CO 0.02 0.38 0.38 -0.07 0.10 0.00 0.00 179.97 180.78 2bud h LEU 423 N 0.60 0.58 -9.69 0.08 3.38 -1.83 -3.43 115.31 105.00 2bud h LEU 423 Ca 0.36 -0.01 -0.58 0.00 0.09 0.00 0.00 57.88 57.74 2bud h LEU 423 Cb 0.57 -0.14 0.11 0.00 0.09 0.00 0.00 40.66 41.29 2bud h LEU 423 CO -0.13 0.40 0.45 0.47 0.09 0.00 0.00 178.44 179.72 2bud n ASP 424 N -4.47 2.52 0.00 -0.43 8.00 -0.19 -4.91 116.55 117.07 2bud n ASP 424 Ca 0.07 1.20 0.00 0.00 0.71 0.00 0.00 54.79 56.77 2bud n ASP 424 Cb 0.13 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 39.78 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 0.92 -0.73 3.85 0.44 0.00 -1.13 -5.03 105.19 103.51 2bud n GLY 425 Ca 0.06 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.67 3.69 -0.01 1.61 0.52 -1.26 -1.35 118.94 118.47 2bud s TRP 426 Ca 0.00 0.87 0.00 0.00 0.02 0.00 0.00 56.10 56.99 2bud s TRP 426 Cb 0.00 -2.20 0.01 0.00 -1.15 0.00 0.00 33.47 30.13 2bud s TRP 426 CO 0.00 0.66 -0.01 0.14 0.02 0.00 0.00 176.95 177.76 2bud s VAL 427 N -1.10 0.11 0.63 4.03 -7.23 -0.80 -4.94 120.40 111.10 2bud s VAL 427 Ca 0.23 -0.02 -0.18 0.00 -1.81 0.00 0.00 61.98 60.20 2bud s VAL 427 Cb -0.15 -0.13 -0.02 0.00 0.56 0.00 0.00 36.38 36.63 2bud s VAL 427 CO 0.12 0.06 1.26 -0.83 -0.31 0.00 0.00 175.10 175.39 2bud s GLY 428 N 0.23 2.80 0.33 2.32 0.00 -1.26 -1.38 107.32 110.36 2bud s GLY 428 Ca -0.02 1.13 0.07 0.00 0.00 0.00 0.00 44.72 45.90 2bud s GLY 428 CO -0.01 1.54 1.85 -0.09 0.00 0.00 0.00 173.10 176.39 2bud h ARG 429 N 0.65 0.74 -0.19 2.90 9.65 -1.90 -0.04 114.38 126.19 2bud h ARG 429 Ca -0.51 -0.04 0.05 0.00 -1.10 0.00 0.00 59.98 58.38 2bud h ARG 429 Cb 1.32 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 29.73 2bud h ARG 429 CO 0.54 0.49 0.14 1.12 2.80 0.00 0.00 179.97 185.05 2bud h HIS 430 N 0.76 0.00 0.08 2.20 2.07 -1.91 -1.90 115.15 116.45 2bud h HIS 430 Ca 0.48 0.00 -0.26 0.00 -2.85 0.00 0.00 60.37 57.74 2bud h HIS 430 Cb 0.72 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.71 2bud h HIS 430 CO -0.00 0.00 -1.13 0.00 -3.07 0.00 0.00 177.93 173.72 2bud h ARG 431 N 0.00 0.38 -6.22 5.12 3.08 -1.34 -3.45 114.38 111.95 2bud h ARG 431 Ca 0.09 -0.52 -0.57 0.00 0.07 0.00 0.00 59.98 59.04 2bud h ARG 431 Cb 0.36 0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.55 2bud h ARG 431 CO -0.00 1.20 -0.03 0.42 -1.07 0.00 0.00 179.97 180.49 2bud s ILE 432 N -2.94 4.75 -0.27 2.04 1.01 -0.72 -1.16 121.20 123.91 2bud s ILE 432 Ca -0.06 1.22 -0.25 0.00 0.00 0.00 0.00 60.65 61.57 2bud s ILE 432 Cb 0.07 -3.90 0.08 0.00 0.01 0.00 0.00 42.46 38.72 2bud s ILE 432 CO 0.89 0.55 0.76 -0.44 0.00 0.00 0.00 174.94 176.69 2bud s SER 433 N -1.06 -0.72 0.51 3.58 0.01 -0.22 -4.88 113.70 110.93 2bud s SER 433 Ca 0.29 1.38 0.24 0.00 1.31 0.00 0.00 55.95 59.17 2bud s SER 433 Cb -0.19 1.40 1.37 0.00 0.21 0.00 0.00 66.02 68.80 2bud s SER 433 CO 0.19 -0.24 2.07 -2.24 0.41 0.00 0.00 173.24 173.43 2bud h ASP 434 N 5.00 0.00 -3.42 2.44 2.03 -1.94 -2.92 116.42 117.61 2bud h ASP 434 Ca -0.29 0.00 -0.66 0.00 -0.73 0.00 0.00 57.03 55.35 2bud h ASP 434 Cb 1.17 0.00 -0.20 0.00 -0.83 0.00 0.00 39.33 39.46 2bud h ASP 434 CO 0.06 0.12 -0.68 0.21 -1.03 0.00 0.00 179.24 177.93 2bud s ASN 435 N -6.42 4.74 0.11 4.15 2.47 -1.26 -4.78 114.94 113.95 2bud s ASN 435 Ca -0.03 -0.08 -0.12 0.00 0.42 0.00 0.00 52.86 53.04 2bud s ASN 435 Cb 0.14 -1.55 -0.15 0.00 -1.45 0.00 0.00 41.25 38.24 2bud s ASN 435 CO 0.61 0.25 1.31 0.00 -3.72 0.00 0.00 177.10 175.56 2bud h ALA 436 N 6.10 0.32 -0.96 1.71 0.00 -1.96 -3.28 119.26 121.18 2bud h ALA 436 Ca -0.38 -0.60 0.21 0.00 0.00 0.00 0.00 54.91 54.14 2bud h ALA 436 Cb 1.19 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.84 2bud h ALA 436 CO 0.58 0.69 0.54 -0.44 0.00 0.00 0.00 179.25 180.62 2bud h ASP 437 N 0.55 0.62 -0.60 0.00 3.32 -1.93 0.57 116.42 118.95 2bud h ASP 437 Ca -0.05 0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 2bud h ASP 437 Cb 1.40 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.95 2bud h ASP 437 CO 0.16 0.15 0.08 0.44 -1.72 0.00 0.00 179.24 178.35 2bud h ASP 438 N 0.61 0.98 0.00 6.45 5.19 -1.99 -3.03 116.42 124.62 2bud h ASP 438 Ca 0.59 -0.27 0.00 0.00 -0.62 0.00 0.00 57.03 56.73 2bud h ASP 438 Cb 1.02 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.27 2bud h ASP 438 CO -0.44 1.00 0.00 0.18 -3.12 0.00 0.00 179.24 176.86 2bud n LEU 439 N -4.27 0.46 -2.02 1.55 4.77 0.14 -4.76 117.00 112.87 2bud n LEU 439 Ca 0.03 0.24 0.02 0.00 -0.03 0.00 0.00 56.01 56.27 2bud n LEU 439 Cb 0.29 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.42 2bud n LEU 439 CO 0.42 0.00 0.05 0.61 -1.33 0.00 0.00 177.39 177.14 2bud n GLY 440 N 0.42 1.65 4.29 -0.72 0.00 -0.88 -5.00 105.19 104.93 2bud n GLY 440 Ca 0.00 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.32 2.17 -0.02 0.00 -1.03 -0.81 105.19 105.14 2bud n GLY 441 Ca 0.08 0.13 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 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 -4.35 -5.45 -3.89 -0.61 2.08 -1.26 -4.35 119.36 101.53 2bud n ILE 442 Ca -0.08 0.06 -0.38 0.00 0.56 0.00 0.00 62.75 62.91 2bud n ILE 442 Cb 0.56 -5.19 0.03 0.00 -0.75 0.00 0.00 39.64 34.29 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 -1.05 -4.23 -3.68 1.39 -1.04 -1.14 -4.98 114.28 99.54 2bud n THR 443 Ca 0.02 -0.77 -0.10 0.00 -2.04 0.00 0.00 64.05 61.15 2bud n THR 443 Cb 0.41 -3.28 -0.10 0.00 -1.82 0.00 0.00 70.33 65.53 2bud n THR 443 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2bud s VAL 444 N -3.55 -0.18 -0.05 12.58 -7.23 0.01 -4.90 120.40 117.08 2bud s VAL 444 Ca 0.45 0.11 -0.30 0.00 -1.81 0.00 0.00 61.98 60.43 2bud s VAL 444 Cb -0.20 -0.63 -0.03 0.00 0.56 0.00 0.00 36.38 36.08 2bud s VAL 444 CO 0.92 0.05 1.15 -0.76 -0.31 0.00 0.00 175.10 176.15 2bud s LEU 445 N 1.71 4.29 0.30 1.32 1.43 -1.26 -4.35 118.68 122.13 2bud s LEU 445 Ca -0.07 1.78 -0.29 0.00 -1.03 0.00 0.00 54.13 54.51 2bud s LEU 445 Cb -0.09 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.47 2bud s LEU 445 CO -0.13 -0.53 1.17 -2.16 0.23 0.00 0.00 176.35 174.93 2bud s PRO 446 N 1.99 4.51 0.10 1.29 0.04 -1.26 -4.95 135.00 136.72 2bud s PRO 446 Ca 0.55 1.94 -0.34 0.00 0.04 0.00 0.00 61.00 63.18 2bud s PRO 446 Cb -0.24 -3.12 -0.14 0.00 0.04 0.00 0.00 34.50 31.05 2bud s PRO 446 CO 0.22 0.05 1.62 0.00 0.04 0.00 0.00 177.00 178.93 2bud n ALA 447 N 0.99 1.08 -1.75 8.56 0.00 -1.26 -4.89 120.51 123.24 2bud n ALA 447 Ca -0.00 0.42 -0.42 0.00 0.00 0.00 0.00 53.44 53.44 2bud n ALA 447 Cb 0.44 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.51 2bud n ALA 447 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2bud s PRO 448 N 1.48 4.13 0.22 0.00 0.02 -1.26 -4.94 135.00 134.65 2bud s PRO 448 Ca 0.82 2.59 -0.31 0.00 0.02 0.00 0.00 61.00 64.13 2bud s PRO 448 Cb -0.71 -3.06 -0.10 0.00 0.02 0.00 0.00 34.50 30.65 2bud s PRO 448 CO 0.41 -0.72 1.50 -2.14 -0.33 0.00 0.00 177.00 175.72 2bud s PRO 449 N 0.73 4.24 -0.04 5.54 0.02 -1.26 -4.89 135.00 139.34 2bud s PRO 449 Ca 0.72 2.34 -0.04 0.00 0.02 0.00 0.00 61.00 64.03 2bud s PRO 449 Cb -0.49 -3.12 -0.16 0.00 0.02 0.00 0.00 34.50 30.75 2bud s PRO 449 CO 0.36 -0.50 3.07 1.28 -0.33 0.00 0.00 177.00 180.88 2bud n LEU 450 N 2.92 5.39 -3.29 -5.54 4.77 -1.26 -4.70 117.00 115.29 2bud n LEU 450 Ca 0.09 -3.03 -0.14 0.00 -0.03 0.00 0.00 56.01 52.90 2bud n LEU 450 Cb 0.39 -1.32 0.05 0.00 -2.33 0.00 0.00 43.42 40.21 2bud n LEU 450 CO 0.61 1.50 0.09 0.00 -1.33 0.00 0.00 177.39 178.25 2bud n ALA 451 N 2.05 -2.51 -1.88 -1.18 0.00 -1.26 -4.92 120.51 110.81 2bud n ALA 451 Ca 0.31 0.03 -0.41 0.00 0.00 0.00 0.00 53.44 53.37 2bud n ALA 451 Cb 0.77 -4.27 -0.02 0.00 0.00 0.00 0.00 19.45 15.93 2bud n ALA 451 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2bud s PRO 452 N -4.30 4.28 -0.29 0.00 0.04 -1.26 -5.01 135.00 128.45 2bud s PRO 452 Ca 0.33 2.28 -0.16 0.00 0.04 0.00 0.00 61.00 63.49 2bud s PRO 452 Cb -0.06 -3.11 0.16 0.00 0.04 0.00 0.00 34.50 31.53 2bud s PRO 452 CO 0.77 -0.40 1.05 0.34 0.04 0.00 0.00 177.00 178.80 2bud s ASP 453 N 0.31 -0.40 0.00 6.66 -1.08 -1.26 -5.22 116.67 115.68 2bud s ASP 453 Ca 0.59 0.63 0.15 0.00 -0.52 0.00 0.00 52.55 53.40 2bud s ASP 453 Cb -0.41 1.23 0.91 0.00 -1.46 0.00 0.00 42.92 43.18 2bud s ASP 453 CO 0.44 -0.10 1.32 0.00 0.52 0.00 0.00 175.17 177.35