#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bud h SER 364 N 0.00 0.21 -3.16 1.61 0.02 -2.02 -3.42 113.55 106.79 2bud h SER 364 Ca 0.00 -0.01 -0.53 0.00 -0.84 0.00 0.00 61.79 60.41 2bud h SER 364 Cb 0.00 -0.05 0.05 0.00 0.14 0.00 0.00 62.40 62.54 2bud h SER 364 CO 0.00 0.16 0.79 -2.28 -1.14 0.00 0.00 176.83 174.36 2bud s HIS 365 N -6.14 3.06 -0.10 3.45 5.65 -1.26 -5.01 115.29 114.94 2bud s HIS 365 Ca -0.13 0.90 0.02 0.00 0.25 0.00 0.00 55.06 56.09 2bud s HIS 365 Cb 0.08 -3.83 -0.02 0.00 -1.18 0.00 0.00 32.58 27.63 2bud s HIS 365 CO 0.69 -2.85 -0.15 1.41 -0.65 0.00 0.00 174.74 173.19 2bud s MET 366 N 0.27 3.01 0.21 2.88 1.75 -1.26 -5.09 119.30 121.07 2bud s MET 366 Ca 0.63 -0.72 -0.31 0.00 -1.25 0.00 0.00 55.69 54.04 2bud s MET 366 Cb -0.42 -2.49 -0.11 0.00 2.84 0.00 0.00 34.83 34.65 2bud s MET 366 CO 0.38 0.36 1.64 0.16 -0.65 0.00 0.00 175.02 176.91 2bud s ASP 367 N -0.05 6.45 -0.26 1.11 1.47 -1.26 -4.90 116.67 119.23 2bud s ASP 367 Ca -0.03 2.80 -0.02 0.00 1.18 0.00 0.00 52.55 56.48 2bud s ASP 367 Cb -0.14 -2.61 0.07 0.00 -0.34 0.00 0.00 42.92 39.90 2bud s ASP 367 CO 0.04 -0.91 2.46 -0.81 0.68 0.00 0.00 175.17 176.63 2bud n PRO 368 N 3.56 1.88 0.00 2.11 -0.04 -1.26 -4.09 135.00 137.16 2bud n PRO 368 Ca 0.13 -1.47 0.00 0.00 -0.04 0.00 0.00 63.50 62.12 2bud n PRO 368 Cb 0.37 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 2bud n PRO 368 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2bud n LEU 369 N 0.98 0.00 -2.15 1.53 -0.00 -1.26 -4.96 117.00 111.14 2bud n LEU 369 Ca 0.33 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 56.15 2bud n LEU 369 Cb 0.61 0.08 -0.06 0.00 -0.00 0.00 0.00 43.42 44.05 2bud n LEU 369 CO 0.27 -0.08 1.46 0.80 -0.00 0.00 0.00 177.39 179.84 2bud n MET 370 N -1.50 2.04 -2.62 1.47 1.56 -1.26 -4.17 117.12 112.63 2bud n MET 370 Ca 0.00 -1.63 -0.07 0.00 -0.27 0.00 0.00 57.70 55.73 2bud n MET 370 Cb 0.00 -1.89 0.04 0.00 2.15 0.00 0.00 33.22 33.52 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 1.22 2.16 -3.67 2.12 1.13 -1.26 -4.95 117.38 114.12 2bud n GLN 371 Ca 0.39 -3.67 -0.14 0.00 -1.94 0.00 0.00 57.00 51.64 2bud n GLN 371 Cb 0.64 -1.75 -0.08 0.00 0.11 0.00 0.00 30.24 29.16 2bud n GLN 371 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2bud s LYS 372 N -3.69 0.71 -0.05 -1.09 1.02 -1.26 -5.15 119.74 110.23 2bud s LYS 372 Ca 0.33 0.58 -0.02 0.00 0.02 0.00 0.00 55.97 56.88 2bud s LYS 372 Cb 0.36 0.34 0.04 0.00 -0.52 0.00 0.00 37.83 38.04 2bud s LYS 372 CO -0.02 -0.13 0.10 0.42 -0.92 0.00 0.00 175.35 174.80 2bud s ILE 373 N -0.12 -0.16 -1.24 2.17 1.01 -1.26 -5.06 121.20 116.55 2bud s ILE 373 Ca -0.03 0.38 -0.08 0.00 0.00 0.00 0.00 60.65 60.92 2bud s ILE 373 Cb -0.03 -0.20 0.19 0.00 0.01 0.00 0.00 42.46 42.43 2bud s ILE 373 CO 0.03 0.16 1.87 0.47 0.00 0.00 0.00 174.94 177.47 2bud n ASP 374 N 5.17 5.76 -0.24 3.58 8.00 -1.26 -4.80 116.55 132.76 2bud n ASP 374 Ca -0.07 -3.19 0.20 0.00 0.71 0.00 0.00 54.79 52.45 2bud n ASP 374 Cb 0.50 -1.42 0.52 0.00 -0.02 0.00 0.00 41.12 40.70 2bud n ASP 374 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2bud h ILE 375 N 3.50 0.67 -0.59 0.53 2.04 -1.94 -1.30 117.51 120.42 2bud h ILE 375 Ca 0.40 -0.13 0.17 0.00 1.00 0.00 0.00 64.86 66.30 2bud h ILE 375 Cb 0.58 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2bud h ILE 375 CO 1.55 0.07 0.74 -1.28 0.00 0.00 0.00 178.15 179.23 2bud h SER 376 N 0.39 0.00 -0.23 1.72 0.87 -1.96 0.24 113.55 114.57 2bud h SER 376 Ca 0.47 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.89 2bud h SER 376 Cb 1.21 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.16 2bud h SER 376 CO -0.17 0.00 -0.35 1.05 -0.53 0.00 0.00 176.83 176.82 2bud h GLU 377 N 0.00 0.76 -0.58 2.24 4.11 -1.65 -3.40 114.58 116.06 2bud h GLU 377 Ca 0.28 -0.37 -0.31 0.00 0.07 0.00 0.00 59.36 59.02 2bud h GLU 377 Cb 1.75 -0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.79 2bud h GLU 377 CO -0.00 0.99 -0.67 0.27 0.07 0.00 0.00 179.01 179.68 2bud n ASN 378 N -4.06 -1.72 -0.29 3.06 2.04 0.71 -4.99 115.26 110.01 2bud n ASN 378 Ca -0.01 -3.32 0.12 0.00 -0.44 0.00 0.00 54.58 50.92 2bud n ASN 378 Cb 0.51 1.16 0.36 0.00 -2.53 0.00 0.00 39.78 39.28 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 3.50 0.71 -0.27 -0.53 0.11 -1.43 0.20 132.00 134.29 2bud h PRO 379 Ca -0.06 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.95 2bud h PRO 379 Cb 1.02 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 2bud h PRO 379 CO 0.30 0.47 -0.06 -0.44 -0.21 0.00 0.00 178.00 178.06 2bud h ASP 380 N 0.73 0.40 -1.97 -2.05 5.19 -1.94 -3.44 116.42 113.33 2bud h ASP 380 Ca 0.46 -0.08 -0.63 0.00 -0.62 0.00 0.00 57.03 56.16 2bud h ASP 380 Cb 0.72 -0.11 0.05 0.00 0.18 0.00 0.00 39.33 40.17 2bud h ASP 380 CO -0.22 0.51 0.72 1.17 -3.12 0.00 0.00 179.24 178.30 2bud n LYS 381 N -4.27 1.72 -3.10 3.56 4.81 0.06 -4.93 118.16 116.01 2bud n LYS 381 Ca 0.01 0.62 -0.39 0.00 -0.87 0.00 0.00 58.31 57.67 2bud n LYS 381 Cb 0.26 -2.35 -0.05 0.00 0.02 0.00 0.00 35.03 32.91 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 1.37 5.00 0.01 3.15 -1.09 -1.26 -4.77 121.20 123.61 2bud s ILE 382 Ca 0.84 1.38 0.03 0.00 -2.23 0.00 0.00 60.65 60.67 2bud s ILE 382 Cb -0.81 -4.00 -0.03 0.00 -1.58 0.00 0.00 42.46 36.03 2bud s ILE 382 CO 0.45 0.30 -0.07 -0.31 -1.23 0.00 0.00 174.94 174.08 2bud s TYR 383 N 0.50 2.87 0.12 3.97 1.51 -0.95 -4.93 117.35 120.44 2bud s TYR 383 Ca 0.35 -0.05 -0.18 0.00 -1.01 0.00 0.00 57.07 56.18 2bud s TYR 383 Cb -0.18 -1.60 -0.07 0.00 -0.11 0.00 0.00 41.96 40.00 2bud s TYR 383 CO 0.18 0.36 0.59 -0.06 -1.11 0.00 0.00 175.55 175.51 2bud s PHE 384 N -0.99 3.72 -0.06 2.71 0.40 -0.97 0.64 117.98 123.42 2bud s PHE 384 Ca 0.17 1.23 0.04 0.00 -0.60 0.00 0.00 56.93 57.77 2bud s PHE 384 Cb -0.11 -2.48 -0.00 0.00 0.51 0.00 0.00 43.02 40.94 2bud s PHE 384 CO 0.07 0.49 -0.19 0.42 0.70 0.00 0.00 175.22 176.71 2bud s ILE 385 N -1.30 1.64 -0.31 0.64 1.09 0.58 -1.49 121.20 122.05 2bud s ILE 385 Ca 0.34 -0.82 -0.23 0.00 -1.10 0.00 0.00 60.65 58.85 2bud s ILE 385 Cb -0.18 -1.42 -0.00 0.00 -1.06 0.00 0.00 42.46 39.81 2bud s ILE 385 CO 0.20 0.47 0.77 -0.60 -0.10 0.00 0.00 174.94 175.67 2bud s ARG 386 N 0.14 3.94 1.00 2.79 3.52 -0.50 -1.11 118.95 128.72 2bud s ARG 386 Ca -0.08 0.53 -0.12 0.00 -0.13 0.00 0.00 55.73 55.92 2bud s ARG 386 Cb -0.14 -3.73 0.19 0.00 -1.56 0.00 0.00 34.95 29.71 2bud s ARG 386 CO 0.04 -0.68 1.10 1.03 -0.81 0.00 0.00 175.30 175.98 2bud s ARG 387 N 2.92 0.45 0.23 5.12 0.52 -0.94 -4.81 118.95 122.43 2bud s ARG 387 Ca 0.31 0.50 -0.07 0.00 -0.52 0.00 0.00 55.73 55.95 2bud s ARG 387 Cb -0.14 -1.74 0.38 0.00 0.52 0.00 0.00 34.95 33.96 2bud s ARG 387 CO 0.13 -2.72 1.72 0.93 0.02 0.00 0.00 175.30 175.38 2bud h GLU 388 N -1.88 0.35 -0.24 3.54 5.08 -1.97 -0.76 114.58 118.69 2bud h GLU 388 Ca -0.54 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 57.66 2bud h GLU 388 Cb 1.33 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2bud h GLU 388 CO 0.58 0.23 -0.41 0.38 -1.00 0.00 0.00 179.01 178.79 2bud h ASP 389 N 0.36 0.62 0.00 1.42 3.04 -2.03 -3.47 116.42 116.35 2bud h ASP 389 Ca 0.36 -0.27 0.00 0.00 -3.24 0.00 0.00 57.03 53.88 2bud h ASP 389 Cb 0.54 -0.17 0.00 0.00 -1.04 0.00 0.00 39.33 38.66 2bud h ASP 389 CO -0.40 0.95 0.00 0.61 -2.04 0.00 0.00 179.24 178.36 2bud n GLY 390 N -0.01 1.37 3.29 7.15 0.00 -0.29 -5.12 105.19 111.58 2bud n GLY 390 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.97 3.59 0.24 2.61 -4.23 -1.26 -4.45 115.64 110.17 2bud s THR 391 Ca 0.00 -0.84 -0.30 0.00 -1.18 0.00 0.00 61.69 59.37 2bud s THR 391 Cb 0.00 -2.86 -0.10 0.00 1.34 0.00 0.00 72.50 70.88 2bud s THR 391 CO 0.00 0.09 1.40 -0.69 -0.54 0.00 0.00 174.62 174.88 2bud s VAL 392 N 1.43 2.82 -0.20 2.29 1.01 -0.98 -2.22 120.40 124.56 2bud s VAL 392 Ca 0.01 0.69 -0.12 0.00 0.00 0.00 0.00 61.98 62.56 2bud s VAL 392 Cb -0.17 -3.44 0.06 0.00 0.00 0.00 0.00 36.38 32.83 2bud s VAL 392 CO 0.00 0.11 0.49 -1.00 0.00 0.00 0.00 175.10 174.70 2bud s HIS 393 N -0.01 -0.69 0.74 5.22 3.76 -0.27 -3.64 115.29 120.40 2bud s HIS 393 Ca 0.58 1.47 -0.16 0.00 -0.15 0.00 0.00 55.06 56.81 2bud s HIS 393 Cb -0.40 0.33 -0.00 0.00 1.11 0.00 0.00 32.58 33.61 2bud s HIS 393 CO 0.42 -0.36 0.79 0.54 -0.85 0.00 0.00 174.74 175.28 2bud n ARG 394 N 3.95 0.34 -3.64 1.40 1.74 -1.26 -0.31 116.66 118.88 2bud n ARG 394 Ca -0.20 0.17 -0.05 0.00 -0.77 0.00 0.00 57.85 56.99 2bud n ARG 394 Cb 0.56 -2.07 -0.07 0.00 -1.02 0.00 0.00 32.46 29.86 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 -1.65 -0.03 -0.42 -0.13 0.00 0.21 -3.37 107.32 101.93 2bud s GLY 395 Ca 0.69 2.98 -0.21 0.00 0.00 0.00 0.00 44.72 48.18 2bud s GLY 395 CO 0.54 2.21 0.64 1.20 0.00 0.00 0.00 173.10 177.70 2bud s GLN 396 N 0.75 3.38 0.03 2.90 -0.21 0.39 -2.25 119.66 124.66 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 -3.91 -0.05 0.00 1.00 0.00 0.00 33.01 30.00 2bud s GLN 396 CO -0.11 -0.94 1.18 0.08 -2.12 0.00 0.00 175.29 173.38 2bud s VAL 397 N 2.79 4.14 0.00 1.09 1.01 -1.26 -1.31 120.40 126.87 2bud s VAL 397 Ca 0.23 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.74 2bud s VAL 397 Cb -0.14 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.26 2bud s VAL 397 CO 0.18 0.10 0.00 0.18 0.00 0.00 0.00 175.10 175.56 2bud n LEU 398 N 4.17 2.46 -4.37 3.92 4.77 -1.22 -4.95 117.00 121.78 2bud n LEU 398 Ca 0.09 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.86 2bud n LEU 398 Cb 0.47 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.47 2bud n LEU 398 CO 0.55 0.41 -0.17 -1.10 -1.33 0.00 0.00 177.39 175.75 2bud s GLN 399 N -1.95 1.74 -0.16 3.23 -0.21 -1.26 -5.01 119.66 116.05 2bud s GLN 399 Ca 0.00 -2.02 -0.14 0.00 0.02 0.00 0.00 55.36 53.22 2bud s GLN 399 Cb 0.00 -0.11 0.04 0.00 1.00 0.00 0.00 33.01 33.94 2bud s GLN 399 CO 0.00 -0.52 0.41 -1.54 -2.12 0.00 0.00 175.29 171.52 2bud s SER 400 N -3.44 -0.44 -0.13 5.90 1.04 -1.26 0.53 113.70 115.90 2bud s SER 400 Ca 0.34 0.84 -0.20 0.00 0.48 0.00 0.00 55.95 57.40 2bud s SER 400 Cb 0.03 0.84 0.05 0.00 0.10 0.00 0.00 66.02 67.05 2bud s SER 400 CO 0.20 -0.15 0.51 0.00 0.98 0.00 0.00 173.24 174.78 2bud s ARG 401 N 0.29 0.72 0.00 4.02 1.70 0.12 -4.95 118.95 120.85 2bud s ARG 401 Ca -0.01 0.45 0.00 0.00 -0.47 0.00 0.00 55.73 55.70 2bud s ARG 401 Cb -0.03 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.69 2bud s ARG 401 CO -0.00 -0.15 0.00 0.25 -1.08 0.00 0.00 175.30 174.32 2bud n THR 402 N 2.10 0.00 -3.45 4.99 -2.24 -1.26 -1.23 114.28 113.20 2bud n THR 402 Ca -0.16 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.60 2bud n THR 402 Cb 0.56 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.80 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 0.00 0.00 -0.32 4.28 -1.04 -1.26 -4.75 114.28 111.19 2bud n THR 403 Ca 0.00 -0.26 0.18 0.00 -2.04 0.00 0.00 64.05 61.93 2bud n THR 403 Cb 0.00 0.30 0.37 0.00 -1.82 0.00 0.00 70.33 69.17 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 0.16 0.09 -2.82 5.08 -2.06 -0.48 114.58 114.56 2bud h GLU 404 Ca -0.10 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2bud h GLU 404 Cb 0.42 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2bud h GLU 404 CO 0.13 0.11 -0.04 -0.97 -1.00 0.00 0.00 179.01 177.24 2bud h ASN 405 N 0.17 -0.11 -6.02 1.42 -1.24 -2.04 -3.48 115.58 104.28 2bud h ASN 405 Ca 0.64 -0.41 -0.40 0.00 0.71 0.00 0.00 56.30 56.83 2bud h ASN 405 Cb 1.39 0.03 0.08 0.00 0.73 0.00 0.00 38.32 40.55 2bud h ASN 405 CO -0.71 0.39 -0.85 0.00 -1.29 0.00 0.00 177.43 174.97 2bud n ALA 406 N -2.43 -2.17 -1.79 1.57 0.00 -0.19 -4.82 120.51 110.67 2bud n ALA 406 Ca -0.08 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2bud n ALA 406 Cb 0.26 -2.83 0.00 0.00 0.00 0.00 0.00 19.45 16.88 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 -4.12 1.09 0.00 0.00 0.00 -1.26 -4.96 120.51 111.26 2bud n ALA 407 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2bud n ALA 407 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 0.13 0.00 0.00 -1.26 -4.95 120.51 114.43 2bud n ALA 408 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2bud n ALA 408 Cb 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.81 2bud n ALA 408 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2bud h PRO 409 N 0.00 -0.62 -6.09 0.00 0.11 -1.93 -3.47 132.00 120.00 2bud h PRO 409 Ca 0.00 0.04 -0.37 0.00 0.11 0.00 0.00 66.00 65.79 2bud h PRO 409 Cb 0.00 0.14 0.01 0.00 0.11 0.00 0.00 31.00 31.26 2bud h PRO 409 CO 0.00 -0.42 -0.94 -0.40 -0.21 0.00 0.00 178.00 176.04 2bud n ASP 410 N -4.80 -4.07 -4.71 -2.05 5.75 -1.26 -4.81 116.55 100.60 2bud n ASP 410 Ca -0.07 -0.50 -0.31 0.00 -0.01 0.00 0.00 54.79 53.89 2bud n ASP 410 Cb 0.33 -1.27 -0.08 0.00 -1.03 0.00 0.00 41.12 39.07 2bud n ASP 410 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2bud s GLU 411 N -3.33 2.74 -0.10 0.11 2.02 -0.36 -3.61 118.70 116.17 2bud s GLU 411 Ca 0.14 -0.70 0.01 0.00 0.02 0.00 0.00 54.97 54.44 2bud s GLU 411 Cb -0.01 -2.65 0.02 0.00 0.10 0.00 0.00 34.13 31.58 2bud s GLU 411 CO 0.71 0.58 -0.12 0.71 0.02 0.00 0.00 175.26 177.16 2bud s TYR 412 N -1.24 1.72 0.63 1.61 1.51 -0.32 0.14 117.35 121.40 2bud s TYR 412 Ca 0.24 -0.79 -0.18 0.00 -1.01 0.00 0.00 57.07 55.33 2bud s TYR 412 Cb -0.12 -1.29 -0.03 0.00 -0.11 0.00 0.00 41.96 40.42 2bud s TYR 412 CO 0.16 -0.44 1.15 0.98 -1.11 0.00 0.00 175.55 176.29 2bud n TYR 413 N 4.30 1.44 -3.68 2.71 9.36 0.19 -2.37 117.16 129.10 2bud n TYR 413 Ca -0.18 0.43 -0.13 0.00 3.32 0.00 0.00 57.90 61.33 2bud n TYR 413 Cb 0.51 -2.21 -0.09 0.00 -0.63 0.00 0.00 39.34 36.92 2bud n TYR 413 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2bud s VAL 414 N -1.44 -0.00 -0.38 2.97 0.11 -0.93 -3.39 120.40 117.34 2bud s VAL 414 Ca 0.80 0.01 -0.01 0.00 -2.93 0.00 0.00 61.98 59.85 2bud s VAL 414 Cb -0.39 -0.80 0.10 0.00 -1.53 0.00 0.00 36.38 33.76 2bud s VAL 414 CO 0.43 0.00 0.14 -2.28 -3.33 0.00 0.00 175.10 170.06 2bud s HIS 415 N 0.54 3.58 -0.09 1.54 2.46 -0.42 -3.31 115.29 119.59 2bud s HIS 415 Ca -0.02 -2.48 -0.29 0.00 0.47 0.00 0.00 55.06 52.74 2bud s HIS 415 Cb -0.04 -2.99 -0.06 0.00 -0.13 0.00 0.00 32.58 29.35 2bud s HIS 415 CO -0.03 -0.94 1.97 0.71 -2.47 0.00 0.00 174.74 173.98 2bud s TYR 416 N 1.10 1.41 0.14 3.88 1.51 -1.26 -0.46 117.35 123.67 2bud s TYR 416 Ca 0.07 0.05 -0.31 0.00 -1.01 0.00 0.00 57.07 55.87 2bud s TYR 416 Cb -0.21 -4.09 -0.09 0.00 -0.11 0.00 0.00 41.96 37.46 2bud s TYR 416 CO -0.05 -4.59 1.44 0.08 -1.11 0.00 0.00 175.55 171.32 2bud s VAL 417 N 5.76 3.07 0.00 0.71 1.01 -1.22 -3.22 120.40 126.52 2bud s VAL 417 Ca 0.89 0.78 0.00 0.00 0.00 0.00 0.00 61.98 63.65 2bud s VAL 417 Cb -0.36 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2bud s VAL 417 CO 0.37 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.14 2bud n GLY 418 N 3.46 0.96 3.69 4.51 0.00 -1.26 -4.88 105.19 111.68 2bud n GLY 418 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 4.99 -4.59 0.99 7.99 -1.20 -4.88 117.00 120.30 2bud n LEU 419 Ca 0.00 0.71 -0.47 0.00 -0.01 0.00 0.00 56.01 56.24 2bud n LEU 419 Cb 0.00 -1.51 -0.03 0.00 -0.11 0.00 0.00 43.42 41.77 2bud n LEU 419 CO 0.00 -1.45 0.70 -0.46 -1.51 0.00 0.00 177.39 174.67 2bud n ASN 420 N -2.41 1.49 -0.36 -1.43 6.94 -1.26 -4.85 115.26 113.37 2bud n ASN 420 Ca 0.15 1.16 0.02 0.00 -0.02 0.00 0.00 54.58 55.88 2bud n ASN 420 Cb 0.49 -1.27 0.16 0.00 -2.36 0.00 0.00 39.78 36.81 2bud n ASN 420 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 2bud h ARG 421 N 2.96 1.10 -0.56 -3.83 3.08 -1.90 -1.71 114.38 113.52 2bud h ARG 421 Ca -0.42 -0.07 0.16 0.00 0.07 0.00 0.00 59.98 59.73 2bud h ARG 421 Cb 1.33 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 2bud h ARG 421 CO 0.67 0.73 0.43 0.07 -1.07 0.00 0.00 179.97 180.80 2bud h ARG 422 N 1.13 0.00 -0.46 0.04 0.11 -2.00 0.20 114.38 113.40 2bud h ARG 422 Ca 0.42 0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.52 2bud h ARG 422 Cb 0.16 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.21 2bud h ARG 422 CO -0.17 0.00 0.31 1.25 0.10 0.00 0.00 179.97 181.46 2bud h LEU 423 N 0.00 0.47 -9.37 0.08 5.85 -1.66 -3.43 115.31 107.25 2bud h LEU 423 Ca 0.27 -0.01 -0.63 0.00 0.84 0.00 0.00 57.88 58.35 2bud h LEU 423 Cb 1.13 -0.11 0.10 0.00 0.37 0.00 0.00 40.66 42.15 2bud h LEU 423 CO -0.00 0.33 0.09 0.47 -0.34 0.00 0.00 178.44 178.99 2bud n ASP 424 N -4.47 1.00 0.00 1.25 8.00 0.70 -4.88 116.55 118.14 2bud n ASP 424 Ca 0.05 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.71 2bud n ASP 424 Cb 0.12 -1.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.00 2bud n ASP 424 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bud n GLY 425 N 1.57 1.20 3.07 0.44 0.00 -1.21 -5.06 105.19 105.21 2bud n GLY 425 Ca 0.12 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 2bud n GLY 425 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2bud s TRP 426 N 0.34 1.41 0.24 1.61 0.52 -1.26 -2.19 118.94 119.60 2bud s TRP 426 Ca 0.00 -0.41 0.08 0.00 0.02 0.00 0.00 56.10 55.79 2bud s TRP 426 Cb 0.00 -0.98 -0.04 0.00 -1.15 0.00 0.00 33.47 31.30 2bud s TRP 426 CO 0.00 -0.16 0.08 0.14 0.02 0.00 0.00 176.95 177.03 2bud s VAL 427 N 0.20 3.95 0.00 4.03 -7.23 -1.00 -4.87 120.40 115.47 2bud s VAL 427 Ca -0.05 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 2bud s VAL 427 Cb -0.11 -3.10 0.00 0.00 0.56 0.00 0.00 36.38 33.73 2bud s VAL 427 CO 0.02 -0.30 1.31 0.61 -0.31 0.00 0.00 175.10 176.42 2bud n GLY 428 N -0.84 2.00 5.02 2.32 0.00 -1.26 -1.17 105.19 111.25 2bud n GLY 428 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2bud n GLY 428 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2bud n ARG 429 N 1.06 0.00 0.20 1.61 3.00 -1.24 -4.39 116.66 116.91 2bud n ARG 429 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.89 2bud n ARG 429 Cb 0.44 0.00 0.20 0.00 0.00 0.00 0.00 32.46 33.10 2bud n ARG 429 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.63 178.75 2bud h HIS 430 N 0.00 0.00 0.09 -0.14 2.07 -1.90 0.76 115.15 116.04 2bud h HIS 430 Ca 0.00 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 57.23 2bud h HIS 430 Cb 0.00 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.00 2bud h HIS 430 CO 0.00 0.00 -1.18 0.00 -3.07 0.00 0.00 177.93 173.68 2bud h ARG 431 N 0.00 0.59 -6.08 5.12 3.08 -1.88 -3.44 114.38 111.77 2bud h ARG 431 Ca 0.00 -0.75 -0.56 0.00 0.07 0.00 0.00 59.98 58.74 2bud h ARG 431 Cb 1.18 0.24 -0.05 0.00 0.08 0.00 0.00 29.97 31.42 2bud h ARG 431 CO 0.00 1.33 0.07 0.42 -1.07 0.00 0.00 179.97 180.72 2bud s ILE 432 N -3.04 4.96 -0.24 2.04 1.01 0.26 -1.41 121.20 124.78 2bud s ILE 432 Ca -0.09 1.41 -0.26 0.00 0.00 0.00 0.00 60.65 61.71 2bud s ILE 432 Cb 0.06 -4.02 0.10 0.00 0.01 0.00 0.00 42.46 38.61 2bud s ILE 432 CO 0.92 0.32 0.86 -0.44 0.00 0.00 0.00 174.94 176.60 2bud s SER 433 N 0.39 -0.58 0.58 3.58 0.01 -0.56 -4.96 113.70 112.16 2bud s SER 433 Ca 0.36 1.04 0.28 0.00 1.31 0.00 0.00 55.95 58.93 2bud s SER 433 Cb -0.18 1.02 1.69 0.00 0.21 0.00 0.00 66.02 68.75 2bud s SER 433 CO 0.18 -0.26 2.18 -2.24 0.41 0.00 0.00 173.24 173.52 2bud h ASP 434 N 4.22 0.00 -3.96 2.44 2.03 -1.92 -2.59 116.42 116.64 2bud h ASP 434 Ca -0.27 0.00 -0.65 0.00 -0.73 0.00 0.00 57.03 55.37 2bud h ASP 434 Cb 1.16 0.00 -0.31 0.00 -0.83 0.00 0.00 39.33 39.35 2bud h ASP 434 CO 0.14 0.00 -0.87 0.54 -1.03 0.00 0.00 179.24 178.02 2bud s ASN 435 N -6.14 2.80 0.05 4.15 2.20 -1.26 -4.76 114.94 111.99 2bud s ASN 435 Ca -0.05 -0.47 0.17 0.00 -0.94 0.00 0.00 52.86 51.58 2bud s ASN 435 Cb 0.15 -0.79 0.73 0.00 -2.00 0.00 0.00 41.25 39.35 2bud s ASN 435 CO 0.57 0.22 1.54 0.00 -2.94 0.00 0.00 177.10 176.49 2bud n ALA 436 N 3.02 1.71 -0.34 3.54 0.00 -1.26 -3.29 120.51 123.89 2bud n ALA 436 Ca -0.18 -0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.25 2bud n ALA 436 Cb 0.52 -1.28 0.16 0.00 0.00 0.00 0.00 19.45 18.85 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 0.92 -0.09 0.00 5.19 -1.95 -0.08 116.42 120.41 2bud h ASP 437 Ca 0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2bud h ASP 437 Cb 0.29 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.63 2bud h ASP 437 CO 0.00 0.58 0.00 0.47 -3.12 0.00 0.00 179.24 177.17 2bud n ASP 438 N -4.57 1.53 0.00 6.45 8.00 -1.21 -4.52 116.55 122.22 2bud n ASP 438 Ca 0.14 -2.12 0.00 0.00 0.71 0.00 0.00 54.79 53.52 2bud n ASP 438 Cb 0.19 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 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 0.05 0.00 -1.99 0.64 4.32 -0.05 -4.92 117.00 115.05 2bud n LEU 439 Ca 0.04 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 56.02 2bud n LEU 439 Cb 0.34 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.18 2bud n LEU 439 CO 0.05 0.00 0.41 0.61 -1.22 0.00 0.00 177.39 177.23 2bud n GLY 440 N 4.87 -0.11 1.14 -0.72 0.00 -1.16 -5.02 105.19 104.18 2bud n GLY 440 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.48 -3.74 3.56 -0.02 0.00 -1.22 -3.77 105.19 99.52 2bud n GLY 441 Ca -0.08 -0.97 -0.16 0.00 0.00 0.00 0.00 46.02 44.81 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 -4.99 3.09 -1.52 -0.61 1.09 -1.26 -2.31 121.20 114.69 2bud s ILE 442 Ca 0.00 -0.08 -0.15 0.00 -1.10 0.00 0.00 60.65 59.32 2bud s ILE 442 Cb 0.00 -3.26 0.12 0.00 -1.06 0.00 0.00 42.46 38.26 2bud s ILE 442 CO 0.00 -0.19 0.72 0.41 -0.10 0.00 0.00 174.94 175.78 2bud n THR 443 N 8.64 -1.17 -3.66 2.92 -1.04 -1.24 -4.86 114.28 113.87 2bud n THR 443 Ca 0.45 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.39 2bud n THR 443 Cb 0.44 -1.91 -0.08 0.00 -1.82 0.00 0.00 70.33 66.95 2bud n THR 443 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2bud s VAL 444 N -3.15 -0.25 0.00 12.58 1.01 -1.12 -4.98 120.40 124.48 2bud s VAL 444 Ca 0.62 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.35 2bud s VAL 444 Cb -0.33 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 2bud s VAL 444 CO 0.76 0.02 1.39 -0.76 0.00 0.00 0.00 175.10 176.51 2bud s LEU 445 N 1.89 4.32 0.32 3.92 2.01 -1.25 -3.37 118.68 126.52 2bud s LEU 445 Ca -0.08 2.11 -0.29 0.00 0.01 0.00 0.00 54.13 55.88 2bud s LEU 445 Cb -0.08 -3.56 -0.11 0.00 0.01 0.00 0.00 46.19 42.45 2bud s LEU 445 CO -0.16 -0.71 1.47 -2.84 1.01 0.00 0.00 176.35 175.12 2bud s PRO 446 N 2.31 4.19 -0.39 1.29 0.02 -1.26 -4.95 135.00 136.22 2bud s PRO 446 Ca 0.63 2.45 0.05 0.00 0.02 0.00 0.00 61.00 64.15 2bud s PRO 446 Cb -0.31 -3.03 0.32 0.00 0.02 0.00 0.00 34.50 31.50 2bud s PRO 446 CO 0.26 -0.46 1.27 0.00 -0.33 0.00 0.00 177.00 177.74 2bud n ALA 447 N 1.31 -2.05 -2.37 -1.55 0.00 -1.26 -5.11 120.51 109.48 2bud n ALA 447 Ca 0.04 -0.90 -0.42 0.00 0.00 0.00 0.00 53.44 52.16 2bud n ALA 447 Cb 0.40 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.61 2bud n ALA 447 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2bud s PRO 448 N 0.15 4.52 0.00 0.00 0.04 -1.26 -4.93 135.00 133.52 2bud s PRO 448 Ca 0.21 1.67 -0.05 0.00 0.04 0.00 0.00 61.00 62.87 2bud s PRO 448 Cb 0.29 -3.35 -0.24 0.00 0.04 0.00 0.00 34.50 31.25 2bud s PRO 448 CO -0.13 -0.09 3.28 -0.35 0.04 0.00 0.00 177.00 179.74 2bud n PRO 449 N 3.41 1.78 -5.10 0.56 -0.04 -1.26 -4.85 135.00 129.49 2bud n PRO 449 Ca 0.06 -0.87 -0.32 0.00 -0.04 0.00 0.00 63.50 62.33 2bud n PRO 449 Cb 0.47 -1.92 -0.15 0.00 -0.04 0.00 0.00 33.50 31.87 2bud n PRO 449 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2bud s LEU 450 N 0.00 2.38 -0.29 1.53 1.02 -1.26 -5.12 118.68 116.94 2bud s LEU 450 Ca 0.59 -0.35 -0.19 0.00 0.02 0.00 0.00 54.13 54.20 2bud s LEU 450 Cb 0.28 -1.45 0.14 0.00 0.02 0.00 0.00 46.19 45.18 2bud s LEU 450 CO 0.00 0.32 1.00 0.00 0.02 0.00 0.00 176.35 177.69 2bud s ALA 451 N -0.61 -2.17 0.24 4.21 0.00 -1.26 -5.14 121.76 117.03 2bud s ALA 451 Ca 0.09 2.10 -0.31 0.00 0.00 0.00 0.00 51.96 53.84 2bud s ALA 451 Cb -0.11 -1.62 -0.11 0.00 0.00 0.00 0.00 23.12 21.28 2bud s ALA 451 CO 0.00 -0.31 1.63 -2.14 0.00 0.00 0.00 175.76 174.94 2bud s PRO 452 N 0.97 4.15 0.00 0.00 0.02 -1.26 -3.79 135.00 135.09 2bud s PRO 452 Ca -0.05 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.51 2bud s PRO 452 Cb -0.04 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.41 2bud s PRO 452 CO -0.12 -0.66 0.00 -3.47 -0.33 0.00 0.00 177.00 172.42 2bud n ASP 453 N 3.11 0.00 0.00 2.53 2.03 -1.26 -5.35 116.55 117.61 2bud n ASP 453 Ca 0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.43 2bud n ASP 453 Cb 0.37 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 2bud n ASP 453 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95