#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 7.06 0.00 1.61 0.01 -1.26 -4.68 113.70 116.44 2bud s SER 364 Ca 0.00 2.21 0.00 0.00 1.31 0.00 0.00 55.95 59.47 2bud s SER 364 Cb 0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2bud s SER 364 CO 0.00 -0.42 0.00 0.00 0.41 0.00 0.00 173.24 173.23 2bud n HIS 365 N 2.85 0.00 -3.65 2.43 1.44 -1.26 -5.13 115.22 111.90 2bud n HIS 365 Ca 0.06 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.78 2bud n HIS 365 Cb 0.45 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.49 2bud n HIS 365 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 2bud s MET 366 N -0.25 0.06 0.02 -1.40 1.75 -1.26 -4.50 119.30 113.72 2bud s MET 366 Ca 0.00 0.10 -0.30 0.00 -1.25 0.00 0.00 55.69 54.24 2bud s MET 366 Cb 0.00 0.02 -0.08 0.00 2.84 0.00 0.00 34.83 37.61 2bud s MET 366 CO 0.00 -0.01 1.76 0.34 -0.65 0.00 0.00 175.02 176.46 2bud s ASP 367 N 0.86 6.56 -0.04 1.11 2.15 -1.26 -4.91 116.67 121.14 2bud s ASP 367 Ca -0.05 2.48 -0.24 0.00 0.43 0.00 0.00 52.55 55.16 2bud s ASP 367 Cb -0.03 -2.54 -0.22 0.00 -0.30 0.00 0.00 42.92 39.83 2bud s ASP 367 CO -0.11 -0.96 1.10 -0.65 -0.17 0.00 0.00 175.17 174.38 2bud h PRO 368 N 9.43 0.16 -0.64 4.34 0.11 -2.00 -3.02 132.00 140.37 2bud h PRO 368 Ca -0.44 -0.14 0.17 0.00 0.11 0.00 0.00 66.00 65.71 2bud h PRO 368 Cb 1.21 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 2bud h PRO 368 CO 0.94 0.82 0.46 1.37 -0.21 0.00 0.00 178.00 181.38 2bud h LEU 369 N -0.46 0.07 -6.40 2.35 8.10 -2.04 -3.40 115.31 113.54 2bud h LEU 369 Ca -0.01 0.00 0.17 0.00 0.11 0.00 0.00 57.88 58.15 2bud h LEU 369 Cb 0.86 -0.01 -0.23 0.00 -0.44 0.00 0.00 40.66 40.84 2bud h LEU 369 CO 0.03 0.04 0.10 -0.32 -4.11 0.00 0.00 178.44 174.18 2bud s MET 370 N -5.08 0.34 -0.30 0.17 0.00 -1.23 -5.11 119.30 108.09 2bud s MET 370 Ca -0.06 0.77 -0.28 0.00 0.00 0.00 0.00 55.69 56.13 2bud s MET 370 Cb 0.20 0.46 -0.04 0.00 0.00 0.00 0.00 34.83 35.45 2bud s MET 370 CO 0.75 -0.20 2.14 -0.65 0.00 0.00 0.00 175.02 177.06 2bud s GLN 371 N 2.65 3.01 0.37 4.11 1.11 -1.14 -4.46 119.66 125.31 2bud s GLN 371 Ca 0.00 1.75 0.00 0.00 0.01 0.00 0.00 55.36 57.13 2bud s GLN 371 Cb -0.09 -4.37 0.00 0.00 -1.01 0.00 0.00 33.01 27.55 2bud s GLN 371 CO -0.17 -2.24 0.00 1.63 0.01 0.00 0.00 175.29 174.52 2bud n LYS 372 N 8.74 -5.32 -2.01 2.91 5.02 -1.26 -4.84 118.16 121.40 2bud n LYS 372 Ca 0.29 3.83 -0.42 0.00 -2.02 0.00 0.00 58.31 59.99 2bud n LYS 372 Cb 0.47 -4.21 -0.03 0.00 -0.02 0.00 0.00 35.03 31.24 2bud n LYS 372 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2bud s ILE 373 N -1.88 2.72 -0.10 -0.18 1.01 -1.26 -4.99 121.20 116.52 2bud s ILE 373 Ca 0.00 0.57 -0.20 0.00 0.00 0.00 0.00 60.65 61.02 2bud s ILE 373 Cb 0.00 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 2bud s ILE 373 CO 0.00 0.07 0.58 -1.81 0.00 0.00 0.00 174.94 173.78 2bud s ASP 374 N 0.63 6.80 -0.11 3.58 1.01 -1.26 -4.98 116.67 122.35 2bud s ASP 374 Ca 0.63 0.96 -0.11 0.00 0.71 0.00 0.00 52.55 54.74 2bud s ASP 374 Cb -0.42 -2.34 -0.27 0.00 1.01 0.00 0.00 42.92 40.90 2bud s ASP 374 CO 0.39 -0.07 0.46 0.40 0.21 0.00 0.00 175.17 176.57 2bud h ILE 375 N 4.77 0.80 -0.15 0.77 2.04 -1.94 -3.36 117.51 120.44 2bud h ILE 375 Ca -0.40 -2.38 0.04 0.00 1.00 0.00 0.00 64.86 63.12 2bud h ILE 375 Cb 1.18 2.58 -0.01 0.00 -0.74 0.00 0.00 36.82 39.84 2bud h ILE 375 CO 0.76 0.81 0.70 -1.28 0.00 0.00 0.00 178.15 179.13 2bud h SER 376 N -0.08 0.00 -0.68 1.72 0.87 -1.95 0.18 113.55 113.61 2bud h SER 376 Ca -0.38 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.17 2bud h SER 376 Cb 1.94 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.87 2bud h SER 376 CO 0.08 0.00 0.36 -0.33 -0.53 0.00 0.00 176.83 176.42 2bud h GLU 377 N 0.00 0.96 0.00 2.24 5.08 -2.00 -3.41 114.58 117.45 2bud h GLU 377 Ca 0.07 -0.12 -0.15 0.00 -1.00 0.00 0.00 59.36 58.16 2bud h GLU 377 Cb 1.46 -0.18 -0.14 0.00 0.50 0.00 0.00 28.75 30.39 2bud h GLU 377 CO -0.00 0.73 -0.29 0.27 -1.00 0.00 0.00 179.01 178.72 2bud n ASN 378 N -4.49 -2.17 -0.35 1.42 2.04 0.57 -5.02 115.26 107.25 2bud n ASN 378 Ca 0.05 -2.62 0.15 0.00 -0.44 0.00 0.00 54.58 51.72 2bud n ASN 378 Cb 0.10 1.33 0.35 0.00 -2.53 0.00 0.00 39.78 39.03 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 3.60 0.67 -0.94 -0.53 0.11 -1.60 0.77 132.00 134.08 2bud h PRO 379 Ca -0.19 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.89 2bud h PRO 379 Cb 1.11 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 32.02 2bud h PRO 379 CO 0.09 0.45 0.62 -0.44 -0.21 0.00 0.00 178.00 178.51 2bud h ASP 380 N 0.69 1.07 -2.30 -2.05 3.32 -1.94 -3.43 116.42 111.78 2bud h ASP 380 Ca 0.59 -0.03 -0.59 0.00 0.02 0.00 0.00 57.03 57.03 2bud h ASP 380 Cb 1.02 -0.26 0.06 0.00 0.22 0.00 0.00 39.33 40.36 2bud h ASP 380 CO -0.40 0.77 0.74 1.17 -1.72 0.00 0.00 179.24 179.80 2bud n LYS 381 N -4.40 2.05 -2.99 3.56 4.81 0.26 -4.95 118.16 116.51 2bud n LYS 381 Ca 0.11 0.74 -0.40 0.00 -0.87 0.00 0.00 58.31 57.89 2bud n LYS 381 Cb 0.03 -2.48 -0.05 0.00 0.02 0.00 0.00 35.03 32.55 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 0.70 4.66 -0.02 3.15 -1.09 -1.26 -4.75 121.20 122.60 2bud s ILE 382 Ca 0.77 1.63 0.01 0.00 -2.23 0.00 0.00 60.65 60.84 2bud s ILE 382 Cb -0.70 -4.11 -0.03 0.00 -1.58 0.00 0.00 42.46 36.03 2bud s ILE 382 CO 0.41 0.40 -0.01 -0.31 -1.23 0.00 0.00 174.94 174.19 2bud s TYR 383 N -0.28 3.06 -0.02 3.97 1.51 -0.88 -4.90 117.35 119.81 2bud s TYR 383 Ca 0.38 0.08 -0.21 0.00 -1.01 0.00 0.00 57.07 56.30 2bud s TYR 383 Cb -0.21 -1.68 -0.05 0.00 -0.11 0.00 0.00 41.96 39.91 2bud s TYR 383 CO 0.23 0.45 0.62 -0.06 -1.11 0.00 0.00 175.55 175.68 2bud s PHE 384 N -1.04 3.66 -0.09 2.71 0.40 -1.06 0.23 117.98 122.80 2bud s PHE 384 Ca 0.18 1.21 0.04 0.00 -0.60 0.00 0.00 56.93 57.76 2bud s PHE 384 Cb -0.11 -2.66 0.00 0.00 0.51 0.00 0.00 43.02 40.75 2bud s PHE 384 CO 0.08 0.28 -0.22 0.42 0.70 0.00 0.00 175.22 176.49 2bud s ILE 385 N 0.07 1.87 -0.30 0.64 1.09 -0.41 -1.33 121.20 122.83 2bud s ILE 385 Ca 0.33 -0.92 -0.28 0.00 -1.10 0.00 0.00 60.65 58.67 2bud s ILE 385 Cb -0.18 -1.62 0.01 0.00 -1.06 0.00 0.00 42.46 39.61 2bud s ILE 385 CO 0.17 0.52 1.04 -0.60 -0.10 0.00 0.00 174.94 175.97 2bud s ARG 386 N 0.34 4.09 0.92 2.79 3.52 -0.47 -0.98 118.95 129.16 2bud s ARG 386 Ca -0.16 1.07 -0.11 0.00 -0.13 0.00 0.00 55.73 56.40 2bud s ARG 386 Cb -0.17 -3.72 0.14 0.00 -1.56 0.00 0.00 34.95 29.64 2bud s ARG 386 CO 0.07 -0.83 1.09 1.03 -0.81 0.00 0.00 175.30 175.85 2bud s ARG 387 N 3.50 1.08 0.23 5.12 1.81 -1.03 -4.87 118.95 124.79 2bud s ARG 387 Ca 0.44 0.90 -0.06 0.00 -1.72 0.00 0.00 55.73 55.29 2bud s ARG 387 Cb -0.13 -1.78 0.41 0.00 -0.45 0.00 0.00 34.95 33.00 2bud s ARG 387 CO 0.13 -2.39 1.72 1.05 -0.68 0.00 0.00 175.30 175.14 2bud h GLU 388 N -1.66 0.39 -0.23 3.54 9.09 -1.96 -1.18 114.58 122.57 2bud h GLU 388 Ca -0.50 -0.02 -0.13 0.00 0.05 0.00 0.00 59.36 58.75 2bud h GLU 388 Cb 1.28 -0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 28.29 2bud h GLU 388 CO 0.53 0.26 -0.42 0.38 0.05 0.00 0.00 179.01 179.81 2bud h ASP 389 N 0.40 0.58 0.00 3.06 2.03 -2.03 -3.47 116.42 116.99 2bud h ASP 389 Ca 0.38 -0.26 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 2bud h ASP 389 Cb 0.57 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 38.91 2bud h ASP 389 CO -0.40 0.93 0.00 0.61 -1.03 0.00 0.00 179.24 179.35 2bud n GLY 390 N 0.00 2.24 3.60 7.15 0.00 -0.45 -5.10 105.19 112.63 2bud n GLY 390 Ca -0.02 -0.20 -0.44 0.00 0.00 0.00 0.00 46.02 45.37 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 0.42 -2.41 2.61 -2.24 -1.26 -4.24 114.28 107.16 2bud n THR 391 Ca 0.00 -0.38 -0.40 0.00 -2.27 0.00 0.00 64.05 61.00 2bud n THR 391 Cb 0.00 -2.43 -0.04 0.00 -2.10 0.00 0.00 70.33 65.76 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 7.41 3.35 -0.01 2.28 1.01 -1.17 -2.46 120.40 130.82 2bud s VAL 392 Ca 0.99 1.31 0.00 0.00 0.00 0.00 0.00 61.98 64.28 2bud s VAL 392 Cb -0.40 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.17 2bud s VAL 392 CO 0.38 0.27 0.00 -1.00 0.00 0.00 0.00 175.10 174.76 2bud s HIS 393 N -1.23 0.04 0.49 5.22 3.76 -0.15 -3.55 115.29 119.88 2bud s HIS 393 Ca 0.48 0.02 -0.23 0.00 -0.15 0.00 0.00 55.06 55.17 2bud s HIS 393 Cb -0.32 -0.08 -0.06 0.00 1.11 0.00 0.00 32.58 33.22 2bud s HIS 393 CO 0.41 -0.02 1.35 1.03 -0.85 0.00 0.00 174.74 176.66 2bud s ARG 394 N 0.25 3.45 -0.28 1.40 0.52 -1.26 -1.28 118.95 121.75 2bud s ARG 394 Ca -0.02 2.21 -0.20 0.00 -0.52 0.00 0.00 55.73 57.20 2bud s ARG 394 Cb -0.03 -2.43 0.10 0.00 0.52 0.00 0.00 34.95 33.11 2bud s ARG 394 CO -0.01 -0.93 0.84 0.20 0.02 0.00 0.00 175.30 175.42 2bud s GLY 395 N -0.87 -0.35 0.03 -3.53 0.00 0.14 -2.48 107.32 100.26 2bud s GLY 395 Ca 0.66 2.58 -0.28 0.00 0.00 0.00 0.00 44.72 47.68 2bud s GLY 395 CO 0.48 2.18 0.88 1.20 0.00 0.00 0.00 173.10 177.85 2bud s GLN 396 N 0.98 4.56 -0.26 2.90 -0.21 -0.94 -2.07 119.66 124.61 2bud s GLN 396 Ca -0.05 1.26 -0.11 0.00 0.02 0.00 0.00 55.36 56.48 2bud s GLN 396 Cb -0.05 -3.41 -0.05 0.00 1.00 0.00 0.00 33.01 30.50 2bud s GLN 396 CO -0.11 0.12 0.18 0.08 -2.12 0.00 0.00 175.29 173.44 2bud s VAL 397 N 0.46 5.33 -0.11 1.09 1.01 -1.25 -0.67 120.40 126.25 2bud s VAL 397 Ca 0.45 0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.62 2bud s VAL 397 Cb -0.21 -3.52 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 2bud s VAL 397 CO 0.26 0.29 -0.11 0.18 0.00 0.00 0.00 175.10 175.72 2bud n LEU 398 N 4.73 2.58 -4.42 3.92 7.99 -1.10 -4.91 117.00 125.78 2bud n LEU 398 Ca -0.14 -0.02 -0.22 0.00 -0.01 0.00 0.00 56.01 55.61 2bud n LEU 398 Cb 0.52 -0.37 -0.09 0.00 -0.11 0.00 0.00 43.42 43.37 2bud n LEU 398 CO 0.34 0.60 -0.19 -1.10 -1.51 0.00 0.00 177.39 175.53 2bud s GLN 399 N -2.22 1.78 -0.15 3.23 -0.21 -1.26 -4.97 119.66 115.87 2bud s GLN 399 Ca -0.15 -2.05 -0.29 0.00 0.02 0.00 0.00 55.36 52.88 2bud s GLN 399 Cb 0.04 -0.35 0.10 0.00 1.00 0.00 0.00 33.01 33.80 2bud s GLN 399 CO 0.24 -0.47 0.85 -1.54 -2.12 0.00 0.00 175.29 172.25 2bud s SER 400 N -3.50 -0.54 -0.28 5.90 1.04 -1.25 -0.40 113.70 114.67 2bud s SER 400 Ca 0.30 0.71 -0.20 0.00 0.48 0.00 0.00 55.95 57.25 2bud s SER 400 Cb 0.04 0.61 0.08 0.00 0.10 0.00 0.00 66.02 66.85 2bud s SER 400 CO 0.17 -0.41 0.73 0.00 0.98 0.00 0.00 173.24 174.71 2bud s ARG 401 N -0.78 0.74 0.16 4.02 1.70 0.66 -4.92 118.95 120.53 2bud s ARG 401 Ca -0.04 1.10 -0.28 0.00 -0.47 0.00 0.00 55.73 56.03 2bud s ARG 401 Cb -0.01 0.24 -0.07 0.00 -0.57 0.00 0.00 34.95 34.54 2bud s ARG 401 CO 0.04 -0.12 0.89 0.95 -1.08 0.00 0.00 175.30 175.97 2bud s THR 402 N 1.09 4.36 0.58 4.99 -4.23 -1.26 -0.36 115.64 120.81 2bud s THR 402 Ca -0.06 1.95 -0.10 0.00 -1.18 0.00 0.00 61.69 62.30 2bud s THR 402 Cb -0.05 -4.26 0.15 0.00 1.34 0.00 0.00 72.50 69.68 2bud s THR 402 CO -0.11 0.42 0.38 0.41 -0.54 0.00 0.00 174.62 175.18 2bud n THR 403 N 2.13 0.00 -0.32 3.99 -1.04 0.33 -4.50 114.28 114.86 2bud n THR 403 Ca -0.01 -0.04 0.24 0.00 -2.04 0.00 0.00 64.05 62.19 2bud n THR 403 Cb 0.48 -0.55 0.46 0.00 -1.82 0.00 0.00 70.33 68.90 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 0.12 -0.26 -2.82 5.08 -1.97 0.30 114.58 115.03 2bud h GLU 404 Ca -0.16 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2bud h GLU 404 Cb 0.54 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 2bud h GLU 404 CO 0.10 0.08 0.07 -0.97 -1.00 0.00 0.00 179.01 177.29 2bud h ASN 405 N 0.13 0.06 -5.76 1.42 -0.73 -1.95 -3.47 115.58 105.28 2bud h ASN 405 Ca 0.73 0.03 -0.33 0.00 1.87 0.00 0.00 56.30 58.60 2bud h ASN 405 Cb 1.73 0.03 0.15 0.00 0.27 0.00 0.00 38.32 40.50 2bud h ASN 405 CO -0.73 0.07 -0.86 0.00 -0.37 0.00 0.00 177.43 175.53 2bud n ALA 406 N -2.30 -2.38 -1.13 1.57 0.00 0.10 -4.86 120.51 111.52 2bud n ALA 406 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2bud n ALA 406 Cb 0.10 -4.41 0.00 0.00 0.00 0.00 0.00 19.45 15.15 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 -3.73 0.58 0.00 0.00 0.00 -1.26 -5.00 120.51 111.10 2bud n ALA 407 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 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 -0.57 0.00 0.00 -1.26 -4.93 120.51 113.74 2bud n ALA 408 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2bud n ALA 408 Cb 0.28 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.63 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 0.00 1.15 -2.60 0.00 -0.02 -1.26 -4.89 135.00 127.38 2bud n PRO 409 Ca 0.00 -0.56 -0.42 0.00 -2.02 0.00 0.00 63.50 60.50 2bud n PRO 409 Cb 0.00 -1.77 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 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 2.40 7.20 -0.09 2.55 1.47 -1.26 -0.51 116.67 128.42 2bud s ASP 410 Ca 0.38 1.68 0.02 0.00 1.18 0.00 0.00 52.55 55.80 2bud s ASP 410 Cb 0.18 -2.56 -0.02 0.00 -0.34 0.00 0.00 42.92 40.18 2bud s ASP 410 CO 0.00 -0.45 -0.13 -1.61 0.68 0.00 0.00 175.17 173.65 2bud s GLU 411 N 1.77 2.98 -0.11 2.11 2.02 0.51 -3.17 118.70 124.82 2bud s GLU 411 Ca 0.52 -0.69 -0.00 0.00 0.02 0.00 0.00 54.97 54.82 2bud s GLU 411 Cb -0.22 -2.52 -0.02 0.00 0.10 0.00 0.00 34.13 31.47 2bud s GLU 411 CO 0.22 0.41 -0.09 0.71 0.02 0.00 0.00 175.26 176.52 2bud s TYR 412 N -0.15 2.88 0.30 1.61 1.51 0.03 -0.24 117.35 123.29 2bud s TYR 412 Ca -0.01 -0.31 -0.29 0.00 -1.01 0.00 0.00 57.07 55.45 2bud s TYR 412 Cb -0.13 -1.81 -0.10 0.00 -0.11 0.00 0.00 41.96 39.81 2bud s TYR 412 CO 0.03 0.03 1.34 -0.47 -1.11 0.00 0.00 175.55 175.38 2bud s TYR 413 N -0.11 3.04 -0.17 2.71 5.04 0.46 -1.27 117.35 127.05 2bud s TYR 413 Ca 0.00 1.30 -0.05 0.00 -2.44 0.00 0.00 57.07 55.89 2bud s TYR 413 Cb -0.13 -3.72 0.06 0.00 0.35 0.00 0.00 41.96 38.52 2bud s TYR 413 CO 0.03 -2.08 0.11 0.08 -1.34 0.00 0.00 175.55 172.35 2bud s VAL 414 N -0.78 -0.13 -0.97 3.14 1.01 -0.78 -2.71 120.40 119.19 2bud s VAL 414 Ca 0.52 -0.15 -0.18 0.00 0.00 0.00 0.00 61.98 62.17 2bud s VAL 414 Cb -0.40 -0.58 0.14 0.00 0.00 0.00 0.00 36.38 35.54 2bud s VAL 414 CO 0.50 -0.27 1.15 -2.28 0.00 0.00 0.00 175.10 174.21 2bud s HIS 415 N 2.17 3.21 -0.11 5.22 2.46 0.16 -3.06 115.29 125.34 2bud s HIS 415 Ca 0.03 -1.54 -0.31 0.00 0.47 0.00 0.00 55.06 53.71 2bud s HIS 415 Cb -0.16 -4.26 -0.09 0.00 -0.13 0.00 0.00 32.58 27.94 2bud s HIS 415 CO -0.09 -1.45 2.05 0.66 -2.47 0.00 0.00 174.74 173.44 2bud n TYR 416 N 6.27 2.22 -1.65 3.88 4.02 -1.26 -2.22 117.16 128.41 2bud n TYR 416 Ca 0.25 -0.15 -0.47 0.00 -0.01 0.00 0.00 57.90 57.52 2bud n TYR 416 Cb 0.48 -2.72 -0.05 0.00 -0.02 0.00 0.00 39.34 37.03 2bud n TYR 416 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2bud n VAL 417 N 6.30 0.02 0.00 -0.72 0.24 -1.03 -3.19 118.33 119.94 2bud n VAL 417 Ca 0.26 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.55 2bud n VAL 417 Cb 0.38 -1.40 0.00 0.00 -1.47 0.00 0.00 33.84 31.34 2bud n VAL 417 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bud n GLY 418 N 3.28 1.63 3.64 7.63 0.00 -1.26 -4.85 105.19 115.26 2bud n GLY 418 Ca 0.17 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2bud n GLY 418 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2bud s LEU 419 N 0.00 2.35 0.47 0.99 0.05 -1.19 -4.94 118.68 116.41 2bud s LEU 419 Ca 0.00 1.95 -0.24 0.00 0.05 0.00 0.00 54.13 55.88 2bud s LEU 419 Cb 0.00 -4.25 -0.08 0.00 -2.05 0.00 0.00 46.19 39.81 2bud s LEU 419 CO 0.00 -3.23 1.41 -3.20 -0.55 0.00 0.00 176.35 170.78 2bud n ASN 420 N -4.30 3.16 0.33 1.48 5.15 -1.26 -4.85 115.26 114.96 2bud n ASN 420 Ca 0.09 1.09 0.16 0.00 -0.60 0.00 0.00 54.58 55.31 2bud n ASN 420 Cb 0.53 -1.59 0.82 0.00 -0.53 0.00 0.00 39.78 39.00 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 2.09 0.00 -0.98 1.20 3.08 -1.92 -1.57 114.38 116.28 2bud h ARG 421 Ca -0.51 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.65 2bud h ARG 421 Cb 1.28 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.25 2bud h ARG 421 CO 0.60 0.00 0.62 -0.09 -1.07 0.00 0.00 179.97 180.03 2bud h ARG 422 N 0.00 0.98 -0.17 0.04 9.65 -2.00 -1.98 114.38 120.90 2bud h ARG 422 Ca 0.01 -0.06 -0.14 0.00 -1.10 0.00 0.00 59.98 58.68 2bud h ARG 422 Cb 0.67 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 29.02 2bud h ARG 422 CO -0.00 0.65 -0.50 -0.07 2.80 0.00 0.00 179.97 182.85 2bud h LEU 423 N 1.01 0.51 -9.32 3.80 -0.00 -1.64 -3.45 115.31 106.23 2bud h LEU 423 Ca 0.47 -0.26 -0.66 0.00 -0.00 0.00 0.00 57.88 57.43 2bud h LEU 423 Cb 0.40 -0.15 0.07 0.00 -0.00 0.00 0.00 40.66 40.98 2bud h LEU 423 CO -0.24 0.93 0.37 0.47 -0.00 0.00 0.00 178.44 179.97 2bud n ASP 424 N -3.97 1.56 0.00 -0.43 8.00 -0.74 -4.91 116.55 116.06 2bud n ASP 424 Ca -0.02 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.61 2bud n ASP 424 Cb 0.57 -1.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.45 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 2.28 -1.05 3.75 0.44 0.00 -1.17 -4.98 105.19 104.46 2bud n GLY 425 Ca 0.16 -1.09 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 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 3.74 0.01 1.61 0.52 -1.26 -1.86 118.94 119.70 2bud s TRP 426 Ca 0.00 1.77 -0.01 0.00 0.02 0.00 0.00 56.10 57.89 2bud s TRP 426 Cb 0.00 -3.16 -0.01 0.00 -1.15 0.00 0.00 33.47 29.15 2bud s TRP 426 CO 0.00 -0.15 -0.01 0.14 0.02 0.00 0.00 176.95 176.95 2bud s VAL 427 N -1.00 0.07 0.62 4.03 -7.23 -0.40 -4.86 120.40 111.64 2bud s VAL 427 Ca 0.44 -0.60 -0.19 0.00 -1.81 0.00 0.00 61.98 59.82 2bud s VAL 427 Cb -0.29 -0.19 -0.02 0.00 0.56 0.00 0.00 36.38 36.43 2bud s VAL 427 CO 0.36 -0.33 1.26 0.61 -0.31 0.00 0.00 175.10 176.70 2bud n GLY 428 N 2.07 0.48 0.36 2.32 0.00 -1.26 -0.79 105.19 108.37 2bud n GLY 428 Ca -0.20 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 45.83 2bud n GLY 428 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2bud h ARG 429 N 0.71 0.77 -0.27 1.61 9.65 -1.90 0.03 114.38 124.98 2bud h ARG 429 Ca -0.51 -0.05 0.08 0.00 -1.10 0.00 0.00 59.98 58.41 2bud h ARG 429 Cb 1.34 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 29.73 2bud h ARG 429 CO 0.54 0.51 0.26 1.12 2.80 0.00 0.00 179.97 185.20 2bud h HIS 430 N 0.80 0.00 0.12 2.20 2.07 -1.91 -1.71 115.15 116.71 2bud h HIS 430 Ca 0.55 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 57.78 2bud h HIS 430 Cb 0.82 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.82 2bud h HIS 430 CO -0.00 0.00 -1.23 0.00 -3.07 0.00 0.00 177.93 173.63 2bud h ARG 431 N 0.00 0.54 -6.08 5.12 3.08 -1.32 -3.45 114.38 112.27 2bud h ARG 431 Ca 0.13 -0.74 -0.57 0.00 0.07 0.00 0.00 59.98 58.87 2bud h ARG 431 Cb 0.65 0.25 -0.05 0.00 0.08 0.00 0.00 29.97 30.89 2bud h ARG 431 CO -0.00 1.33 -0.01 0.42 -1.07 0.00 0.00 179.97 180.63 2bud s ILE 432 N -2.94 4.91 -0.27 2.04 1.01 -0.64 -1.37 121.20 123.94 2bud s ILE 432 Ca -0.08 1.25 -0.25 0.00 0.00 0.00 0.00 60.65 61.58 2bud s ILE 432 Cb 0.06 -3.94 0.07 0.00 0.01 0.00 0.00 42.46 38.67 2bud s ILE 432 CO 0.92 0.41 0.74 -0.44 0.00 0.00 0.00 174.94 176.57 2bud s SER 433 N -0.15 -0.73 0.00 3.58 0.01 -0.44 -4.91 113.70 111.05 2bud s SER 433 Ca 0.31 1.41 0.00 0.00 1.31 0.00 0.00 55.95 58.98 2bud s SER 433 Cb -0.18 1.42 0.00 0.00 0.21 0.00 0.00 66.02 67.47 2bud s SER 433 CO 0.17 -0.24 0.48 -0.90 0.41 0.00 0.00 173.24 173.16 2bud n ASP 434 N 2.69 0.49 -3.82 2.44 5.75 -1.26 -2.55 116.55 120.29 2bud n ASP 434 Ca -0.14 -1.44 -0.16 0.00 -0.01 0.00 0.00 54.79 53.04 2bud n ASP 434 Cb 0.55 -0.24 -0.16 0.00 -1.03 0.00 0.00 41.12 40.24 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 -0.61 0.29 0.00 -1.12 -0.87 -1.26 -4.95 114.94 106.43 2bud s ASN 435 Ca 0.00 -0.01 0.00 0.00 -1.57 0.00 0.00 52.86 51.28 2bud s ASN 435 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 41.25 41.08 2bud s ASN 435 CO 0.00 -0.09 0.55 0.00 -2.57 0.00 0.00 177.10 174.99 2bud n ALA 436 N 3.99 -0.23 -0.35 0.60 0.00 -1.26 -3.66 120.51 119.60 2bud n ALA 436 Ca -0.25 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.51 2bud n ALA 436 Cb 0.51 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.55 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 0.33 0.00 0.00 3.32 -1.98 -0.38 116.42 117.70 2bud h ASP 437 Ca 0.00 0.23 -0.13 0.00 0.02 0.00 0.00 57.03 57.16 2bud h ASP 437 Cb 0.00 0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.74 2bud h ASP 437 CO 0.00 -0.37 -0.22 0.47 -1.72 0.00 0.00 179.24 177.41 2bud n ASP 438 N -5.14 4.71 0.00 6.45 9.92 -1.24 -4.25 116.55 127.00 2bud n ASP 438 Ca 0.38 -2.35 0.00 0.00 -0.53 0.00 0.00 54.79 52.29 2bud n ASP 438 Cb 1.30 -1.20 0.00 0.00 -0.64 0.00 0.00 41.12 40.58 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 2.29 0.00 -2.50 0.64 4.77 -0.15 -4.87 117.00 117.18 2bud n LEU 439 Ca 0.28 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.24 2bud n LEU 439 Cb 0.72 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.92 2bud n LEU 439 CO 0.10 0.00 0.57 0.61 -1.33 0.00 0.00 177.39 177.34 2bud n GLY 440 N 0.01 1.50 0.81 -0.72 0.00 -1.26 -5.00 105.19 100.54 2bud n GLY 440 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.24 -3.58 3.68 -0.02 0.00 -1.26 -4.30 105.19 98.48 2bud n GLY 441 Ca -0.14 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.71 3.33 -1.05 -0.61 2.08 -1.26 -3.07 119.36 117.07 2bud n ILE 442 Ca 0.00 -0.50 -0.35 0.00 0.56 0.00 0.00 62.75 62.46 2bud n ILE 442 Cb 0.17 -1.45 0.07 0.00 -0.75 0.00 0.00 39.64 37.68 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 -0.95 0.66 -2.75 1.39 5.66 -1.23 -3.92 114.28 113.13 2bud n THR 443 Ca 0.10 -0.36 -0.11 0.00 -3.05 0.00 0.00 64.05 60.63 2bud n THR 443 Cb 0.43 -0.47 0.05 0.00 -1.55 0.00 0.00 70.33 68.79 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 -2.71 -6.59 -2.16 1.08 0.31 -1.26 -4.97 118.33 102.03 2bud n VAL 444 Ca 0.06 -0.91 -0.41 0.00 -0.01 0.00 0.00 64.34 63.07 2bud n VAL 444 Cb 0.52 -5.40 -0.02 0.00 -0.91 0.00 0.00 33.84 28.03 2bud n VAL 444 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2bud s LEU 445 N -4.71 4.44 0.08 7.52 1.43 -1.25 -4.92 118.68 121.26 2bud s LEU 445 Ca 0.30 2.63 -0.35 0.00 -1.03 0.00 0.00 54.13 55.68 2bud s LEU 445 Cb -0.04 -3.64 -0.14 0.00 0.03 0.00 0.00 46.19 42.40 2bud s LEU 445 CO 0.52 -0.50 1.60 -2.65 0.23 0.00 0.00 176.35 175.55 2bud n PRO 446 N 1.01 1.92 -2.39 1.29 -0.02 -1.26 -4.92 135.00 130.62 2bud n PRO 446 Ca 0.00 0.70 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 2bud n PRO 446 Cb 0.42 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 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 1.57 3.41 0.39 3.55 0.00 -1.26 -5.00 121.76 124.42 2bud s ALA 447 Ca 0.83 0.88 -0.27 0.00 0.00 0.00 0.00 51.96 53.41 2bud s ALA 447 Cb -0.75 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 18.83 2bud s ALA 447 CO 0.44 -0.45 1.34 -1.25 0.00 0.00 0.00 175.76 175.84 2bud s PRO 448 N 0.98 4.02 0.27 0.00 0.04 -1.26 -4.94 135.00 134.10 2bud s PRO 448 Ca 0.59 2.24 -0.30 0.00 0.04 0.00 0.00 61.00 63.56 2bud s PRO 448 Cb -0.30 -2.82 -0.12 0.00 0.04 0.00 0.00 34.50 31.30 2bud s PRO 448 CO 0.30 -0.48 1.63 -0.35 0.04 0.00 0.00 177.00 178.14 2bud n PRO 449 N 0.24 2.74 -3.90 0.56 -0.04 -1.26 -2.46 135.00 130.88 2bud n PRO 449 Ca 0.03 0.98 -0.29 0.00 -0.04 0.00 0.00 63.50 64.18 2bud n PRO 449 Cb 0.43 -2.78 0.02 0.00 -0.04 0.00 0.00 33.50 31.13 2bud n PRO 449 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2bud n LEU 450 N 2.60 -2.59 -4.73 1.53 7.94 -1.26 -4.92 117.00 115.57 2bud n LEU 450 Ca 0.10 -0.81 -0.41 0.00 -1.11 0.00 0.00 56.01 53.78 2bud n LEU 450 Cb 0.36 -2.54 -0.03 0.00 0.53 0.00 0.00 43.42 41.74 2bud n LEU 450 CO 0.64 0.45 0.87 0.00 -1.11 0.00 0.00 177.39 178.24 2bud s ALA 451 N -3.39 3.42 0.12 1.96 0.00 -1.03 -4.98 121.76 117.86 2bud s ALA 451 Ca 0.53 0.90 -0.31 0.00 0.00 0.00 0.00 51.96 53.09 2bud s ALA 451 Cb -0.27 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.35 2bud s ALA 451 CO 0.83 -0.37 1.47 -1.25 0.00 0.00 0.00 175.76 176.45 2bud s PRO 452 N 0.12 4.27 0.36 0.00 0.04 -1.26 -4.68 135.00 133.86 2bud s PRO 452 Ca 0.54 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.77 2bud s PRO 452 Cb -0.31 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 30.97 2bud s PRO 452 CO 0.34 -0.52 0.00 -0.40 0.04 0.00 0.00 177.00 176.46 2bud n ASP 453 N 4.15 -6.93 0.00 6.66 5.68 -1.26 -5.20 116.55 119.66 2bud n ASP 453 Ca 0.13 1.12 0.00 0.00 -0.50 0.00 0.00 54.79 55.54 2bud n ASP 453 Cb 0.41 -4.30 0.00 0.00 -1.14 0.00 0.00 41.12 36.09 2bud n ASP 453 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87