#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 -1.52 0.22 1.61 7.64 -1.26 -4.95 113.62 115.36 2bud n SER 364 Ca 0.00 -2.24 0.07 0.00 1.01 0.00 0.00 58.87 57.71 2bud n SER 364 Cb 0.00 0.74 0.49 0.00 -1.01 0.00 0.00 64.21 64.42 2bud n SER 364 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 2bud h HIS 365 N 1.15 0.00 -4.58 1.43 -0.00 -2.05 -3.47 115.15 107.63 2bud h HIS 365 Ca -0.42 0.00 -0.22 0.00 -0.00 0.00 0.00 60.37 59.73 2bud h HIS 365 Cb 1.30 0.00 0.12 0.00 -0.00 0.00 0.00 27.41 28.83 2bud h HIS 365 CO -0.04 0.27 -0.55 -1.33 -0.00 0.00 0.00 177.93 176.28 2bud n MET 366 N -3.79 -4.23 -1.42 5.26 0.00 -1.26 -4.80 117.12 106.89 2bud n MET 366 Ca -0.01 0.60 0.07 0.00 0.00 0.00 0.00 57.70 58.35 2bud n MET 366 Cb 0.37 -4.82 -0.04 0.00 0.00 0.00 0.00 33.22 28.73 2bud n MET 366 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2bud n ASP 367 N -2.52 -7.65 0.31 7.83 8.00 -1.26 -4.23 116.55 117.02 2bud n ASP 367 Ca -0.18 1.60 0.13 0.00 0.71 0.00 0.00 54.79 57.05 2bud n ASP 367 Cb 0.61 -4.66 0.66 0.00 -0.02 0.00 0.00 41.12 37.72 2bud n ASP 367 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2bud h PRO 368 N -0.44 0.00 0.00 -0.24 0.11 -1.90 -3.41 132.00 126.12 2bud h PRO 368 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2bud h PRO 368 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2bud h PRO 368 CO 0.03 0.00 0.00 -0.11 -0.21 0.00 0.00 178.00 177.71 2bud n LEU 369 N -2.88 0.00 -1.16 2.35 -0.00 -1.26 -4.97 117.00 109.08 2bud n LEU 369 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.98 2bud n LEU 369 Cb 0.52 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.94 2bud n LEU 369 CO 0.12 0.00 0.25 0.80 -0.00 0.00 0.00 177.39 178.56 2bud n MET 370 N 0.00 0.21 -2.13 1.96 0.00 -1.26 -5.10 117.12 110.80 2bud n MET 370 Ca 0.00 -0.50 -0.41 0.00 0.00 0.00 0.00 57.70 56.78 2bud n MET 370 Cb 0.00 0.40 -0.03 0.00 0.00 0.00 0.00 33.22 33.60 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 0.02 3.15 0.38 2.12 -1.52 -1.26 -4.91 119.66 117.64 2bud s GLN 371 Ca 0.01 0.95 -0.14 0.00 -1.95 0.00 0.00 55.36 54.23 2bud s GLN 371 Cb 0.07 -4.22 0.06 0.00 -0.22 0.00 0.00 33.01 28.70 2bud s GLN 371 CO -0.02 -2.09 0.76 1.63 -0.25 0.00 0.00 175.29 175.32 2bud n LYS 372 N 8.64 1.09 -1.73 2.91 4.76 -1.26 -4.90 118.16 127.68 2bud n LYS 372 Ca 0.19 -2.14 -0.42 0.00 -2.87 0.00 0.00 58.31 53.07 2bud n LYS 372 Cb 0.49 2.68 -0.03 0.00 -1.84 0.00 0.00 35.03 36.33 2bud n LYS 372 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2bud n ILE 373 N -0.51 0.29 -3.32 -0.18 2.08 -1.26 -4.99 119.36 111.46 2bud n ILE 373 Ca -0.09 -0.07 -0.38 0.00 0.56 0.00 0.00 62.75 62.77 2bud n ILE 373 Cb 0.57 -1.99 -0.06 0.00 -0.75 0.00 0.00 39.64 37.42 2bud n ILE 373 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 2bud s ASP 374 N 0.99 6.98 0.00 4.38 1.11 -1.26 -5.03 116.67 123.84 2bud s ASP 374 Ca 0.72 1.18 0.00 0.00 0.18 0.00 0.00 52.55 54.63 2bud s ASP 374 Cb -0.50 -2.33 0.00 0.00 1.07 0.00 0.00 42.92 41.16 2bud s ASP 374 CO 0.37 0.25 0.00 -0.38 1.18 0.00 0.00 175.17 176.59 2bud n ILE 375 N 1.56 0.00 0.23 0.77 5.41 -1.26 -4.61 119.36 121.45 2bud n ILE 375 Ca -0.10 0.00 0.17 0.00 1.00 0.00 0.00 62.75 63.82 2bud n ILE 375 Cb 0.51 -0.69 0.75 0.00 -0.71 0.00 0.00 39.64 39.50 2bud n ILE 375 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 2bud h SER 376 N 0.00 0.00 -0.81 4.38 0.87 -1.91 0.19 113.55 116.27 2bud h SER 376 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2bud h SER 376 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 2bud h SER 376 CO 0.00 0.00 0.38 -0.33 -0.53 0.00 0.00 176.83 176.35 2bud h GLU 377 N 0.00 1.18 -0.45 2.24 4.39 -2.00 -3.38 114.58 116.56 2bud h GLU 377 Ca 0.09 -0.18 -0.30 0.00 0.34 0.00 0.00 59.36 59.32 2bud h GLU 377 Cb 0.93 -0.21 -0.20 0.00 -0.10 0.00 0.00 28.75 29.17 2bud h GLU 377 CO -0.00 0.91 -0.62 0.27 -1.16 0.00 0.00 179.01 178.41 2bud n ASN 378 N -4.30 -1.88 -0.35 1.42 2.04 0.51 -5.00 115.26 107.70 2bud n ASN 378 Ca 0.08 -3.39 0.12 0.00 -0.44 0.00 0.00 54.58 50.95 2bud n ASN 378 Cb 0.15 1.33 0.31 0.00 -2.53 0.00 0.00 39.78 39.04 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 3.41 0.73 -0.68 -0.53 0.11 -1.33 0.55 132.00 134.28 2bud h PRO 379 Ca -0.07 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.00 2bud h PRO 379 Cb 1.04 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.95 2bud h PRO 379 CO 0.27 0.48 0.45 -0.44 -0.21 0.00 0.00 178.00 178.55 2bud h ASP 380 N 0.75 0.78 -2.22 -2.05 5.19 -1.95 -3.43 116.42 113.49 2bud h ASP 380 Ca 0.57 -0.02 -0.59 0.00 -0.62 0.00 0.00 57.03 56.37 2bud h ASP 380 Cb 0.87 -0.19 0.06 0.00 0.18 0.00 0.00 39.33 40.25 2bud h ASP 380 CO -0.38 0.56 0.76 1.17 -3.12 0.00 0.00 179.24 178.23 2bud n LYS 381 N -4.43 2.04 -3.15 3.56 4.81 0.18 -4.95 118.16 116.22 2bud n LYS 381 Ca 0.07 0.74 -0.39 0.00 -0.87 0.00 0.00 58.31 57.86 2bud n LYS 381 Cb 0.04 -2.49 -0.06 0.00 0.02 0.00 0.00 35.03 32.54 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 0.84 4.77 -0.00 3.15 -1.09 -1.26 -4.80 121.20 122.81 2bud s ILE 382 Ca 0.79 1.37 0.03 0.00 -2.23 0.00 0.00 60.65 60.61 2bud s ILE 382 Cb -0.71 -3.99 -0.03 0.00 -1.58 0.00 0.00 42.46 36.15 2bud s ILE 382 CO 0.39 0.45 -0.06 -0.31 -1.23 0.00 0.00 174.94 174.18 2bud s TYR 383 N -0.48 2.90 -0.09 3.97 1.51 -0.78 -4.95 117.35 119.43 2bud s TYR 383 Ca 0.33 -0.03 -0.17 0.00 -1.01 0.00 0.00 57.07 56.19 2bud s TYR 383 Cb -0.20 -1.62 -0.05 0.00 -0.11 0.00 0.00 41.96 39.99 2bud s TYR 383 CO 0.20 0.38 0.44 -0.06 -1.11 0.00 0.00 175.55 175.40 2bud s PHE 384 N -0.99 3.57 -0.18 2.71 0.40 -0.96 0.37 117.98 122.90 2bud s PHE 384 Ca 0.17 0.89 -0.02 0.00 -0.60 0.00 0.00 56.93 57.37 2bud s PHE 384 Cb -0.11 -2.46 -0.01 0.00 0.51 0.00 0.00 43.02 40.95 2bud s PHE 384 CO 0.07 0.31 -0.10 0.42 0.70 0.00 0.00 175.22 176.62 2bud s ILE 385 N 0.13 3.04 -0.43 0.64 1.09 -0.03 -1.41 121.20 124.23 2bud s ILE 385 Ca 0.24 -0.63 -0.20 0.00 -1.10 0.00 0.00 60.65 58.96 2bud s ILE 385 Cb -0.15 -2.33 0.02 0.00 -1.06 0.00 0.00 42.46 38.94 2bud s ILE 385 CO 0.11 0.48 0.62 -0.60 -0.10 0.00 0.00 174.94 175.44 2bud s ARG 386 N 1.06 3.28 0.57 2.79 3.00 0.06 -0.43 118.95 129.29 2bud s ARG 386 Ca -0.00 -0.40 -0.17 0.00 -1.00 0.00 0.00 55.73 54.17 2bud s ARG 386 Cb -0.15 -3.95 -0.04 0.00 0.00 0.00 0.00 34.95 30.81 2bud s ARG 386 CO -0.02 -0.98 1.06 1.03 0.00 0.00 0.00 175.30 176.39 2bud s ARG 387 N 2.74 3.38 0.27 5.12 0.52 -0.84 -4.71 118.95 125.42 2bud s ARG 387 Ca 0.21 1.27 -0.01 0.00 -0.52 0.00 0.00 55.73 56.69 2bud s ARG 387 Cb -0.14 -2.04 0.51 0.00 0.52 0.00 0.00 34.95 33.80 2bud s ARG 387 CO 0.18 -0.77 1.81 0.93 0.02 0.00 0.00 175.30 177.47 2bud h GLU 388 N 0.67 0.82 0.00 3.54 5.08 -1.97 0.35 114.58 123.07 2bud h GLU 388 Ca -0.48 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2bud h GLU 388 Cb 1.22 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2bud h GLU 388 CO 0.57 0.54 0.00 -0.40 -1.00 0.00 0.00 179.01 178.73 2bud n ASP 389 N -4.72 0.00 -0.97 1.42 5.75 -1.26 -4.77 116.55 112.00 2bud n ASP 389 Ca 0.17 -0.51 -0.06 0.00 -0.01 0.00 0.00 54.79 54.38 2bud n ASP 389 Cb 0.36 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.46 2bud n ASP 389 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bud n GLY 390 N -0.24 0.38 3.04 6.12 0.00 0.12 -5.03 105.19 109.58 2bud n GLY 390 Ca 0.04 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 2bud n GLY 390 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bud s THR 391 N -2.71 2.00 0.30 2.61 -4.23 -1.19 -4.49 115.64 107.93 2bud s THR 391 Ca 0.08 -1.48 -0.29 0.00 -1.18 0.00 0.00 61.69 58.82 2bud s THR 391 Cb -0.04 -2.13 -0.09 0.00 1.34 0.00 0.00 72.50 71.58 2bud s THR 391 CO 0.10 -0.01 1.11 -0.69 -0.54 0.00 0.00 174.62 174.59 2bud s VAL 392 N 1.19 3.45 -0.15 2.29 1.01 -1.26 -1.99 120.40 124.94 2bud s VAL 392 Ca -0.07 1.42 -0.12 0.00 0.00 0.00 0.00 61.98 63.21 2bud s VAL 392 Cb -0.19 -3.89 0.04 0.00 0.00 0.00 0.00 36.38 32.34 2bud s VAL 392 CO -0.06 0.31 0.38 -1.00 0.00 0.00 0.00 175.10 174.73 2bud s HIS 393 N -1.21 -0.46 0.71 5.22 3.76 0.43 -4.45 115.29 119.28 2bud s HIS 393 Ca 0.46 1.08 -0.16 0.00 -0.15 0.00 0.00 55.06 56.29 2bud s HIS 393 Cb -0.31 0.17 0.01 0.00 1.11 0.00 0.00 32.58 33.55 2bud s HIS 393 CO 0.40 -0.24 1.00 0.54 -0.85 0.00 0.00 174.74 175.59 2bud n ARG 394 N 3.35 0.55 -3.65 1.40 1.74 -1.26 -0.85 116.66 117.94 2bud n ARG 394 Ca -0.17 0.25 -0.03 0.00 -0.77 0.00 0.00 57.85 57.13 2bud n ARG 394 Cb 0.56 -2.25 -0.07 0.00 -1.02 0.00 0.00 32.46 29.69 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 -1.62 0.19 -0.16 -0.13 0.00 0.16 -3.54 107.32 102.22 2bud s GLY 395 Ca 0.74 3.28 -0.15 0.00 0.00 0.00 0.00 44.72 48.60 2bud s GLY 395 CO 0.49 2.28 0.33 1.20 0.00 0.00 0.00 173.10 177.41 2bud s GLN 396 N 0.67 4.26 -0.11 2.90 -0.21 -0.71 -1.86 119.66 124.60 2bud s GLN 396 Ca -0.02 0.16 -0.21 0.00 0.02 0.00 0.00 55.36 55.31 2bud s GLN 396 Cb -0.04 -3.44 -0.04 0.00 1.00 0.00 0.00 33.01 30.49 2bud s GLN 396 CO -0.12 0.20 0.60 0.08 -2.12 0.00 0.00 175.29 173.93 2bud s VAL 397 N 0.58 5.10 0.00 1.09 1.01 -1.26 -0.54 120.40 126.38 2bud s VAL 397 Ca 0.18 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.37 2bud s VAL 397 Cb -0.13 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.31 2bud s VAL 397 CO 0.05 0.25 0.00 0.18 0.00 0.00 0.00 175.10 175.58 2bud n LEU 398 N 3.99 2.80 -4.55 3.92 4.77 -1.17 -4.84 117.00 121.93 2bud n LEU 398 Ca -0.03 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.69 2bud n LEU 398 Cb 0.51 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 2bud n LEU 398 CO 0.45 0.47 -0.23 -1.10 -1.33 0.00 0.00 177.39 175.65 2bud s GLN 399 N -1.94 1.91 -0.14 3.23 -0.21 -1.26 -4.93 119.66 116.32 2bud s GLN 399 Ca 0.00 -2.15 -0.30 0.00 0.02 0.00 0.00 55.36 52.93 2bud s GLN 399 Cb 0.00 -0.88 0.11 0.00 1.00 0.00 0.00 33.01 33.24 2bud s GLN 399 CO 0.00 -0.37 0.89 -1.54 -2.12 0.00 0.00 175.29 172.15 2bud s SER 400 N -3.63 -0.49 -0.28 5.90 1.04 -1.26 -0.09 113.70 114.90 2bud s SER 400 Ca 0.24 0.59 -0.21 0.00 0.48 0.00 0.00 55.95 57.05 2bud s SER 400 Cb 0.04 0.48 0.10 0.00 0.10 0.00 0.00 66.02 66.74 2bud s SER 400 CO 0.13 -0.41 0.83 0.00 0.98 0.00 0.00 173.24 174.77 2bud s ARG 401 N -0.96 0.65 0.27 4.02 1.70 0.28 -4.95 118.95 119.96 2bud s ARG 401 Ca -0.04 0.91 -0.30 0.00 -0.47 0.00 0.00 55.73 55.83 2bud s ARG 401 Cb -0.01 0.24 -0.09 0.00 -0.57 0.00 0.00 34.95 34.52 2bud s ARG 401 CO 0.04 -0.10 1.09 0.95 -1.08 0.00 0.00 175.30 176.19 2bud s THR 402 N 0.84 3.54 0.71 4.99 -4.23 -1.26 -0.53 115.64 119.70 2bud s THR 402 Ca -0.03 1.54 -0.12 0.00 -1.18 0.00 0.00 61.69 61.90 2bud s THR 402 Cb -0.05 -3.98 0.18 0.00 1.34 0.00 0.00 72.50 69.99 2bud s THR 402 CO -0.09 0.36 0.44 0.41 -0.54 0.00 0.00 174.62 175.20 2bud n THR 403 N 1.28 0.00 -0.34 3.99 -1.04 -1.17 -4.65 114.28 112.35 2bud n THR 403 Ca -0.01 -0.03 0.14 0.00 -2.04 0.00 0.00 64.05 62.11 2bud n THR 403 Cb 0.45 -0.56 0.33 0.00 -1.82 0.00 0.00 70.33 68.73 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 0.66 -0.21 -2.82 3.07 -1.96 -1.10 114.58 112.23 2bud h GLU 404 Ca -0.19 -0.04 0.03 0.00 -0.50 0.00 0.00 59.36 58.66 2bud h GLU 404 Cb 0.65 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.38 2bud h GLU 404 CO 0.12 0.44 0.00 -0.97 -1.40 0.00 0.00 179.01 177.20 2bud h ASN 405 N 0.68 -0.07 -5.97 1.42 -1.24 -1.95 -3.47 115.58 104.99 2bud h ASN 405 Ca 0.59 0.04 -0.38 0.00 0.71 0.00 0.00 56.30 57.26 2bud h ASN 405 Cb 0.99 0.08 0.10 0.00 0.73 0.00 0.00 38.32 40.22 2bud h ASN 405 CO -0.42 -0.01 -0.87 0.00 -1.29 0.00 0.00 177.43 174.85 2bud n ALA 406 N -2.33 -2.28 -1.94 1.57 0.00 -0.42 -4.86 120.51 110.26 2bud n ALA 406 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2bud n ALA 406 Cb 0.11 -3.47 0.00 0.00 0.00 0.00 0.00 19.45 16.08 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 -4.01 0.98 0.00 0.00 0.00 -1.26 -4.98 120.51 111.24 2bud n ALA 407 Ca -0.19 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2bud n ALA 407 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 -5.01 120.51 112.48 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 0.49 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.95 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 0.00 3.68 -0.29 0.00 0.02 -1.26 -5.00 135.00 132.15 2bud s PRO 409 Ca 0.00 2.08 -0.16 0.00 0.02 0.00 0.00 61.00 62.94 2bud s PRO 409 Cb 0.00 -2.52 0.15 0.00 0.02 0.00 0.00 34.50 32.15 2bud s PRO 409 CO 0.00 -0.71 0.98 0.16 -0.33 0.00 0.00 177.00 177.10 2bud s ASP 410 N -0.96 -0.51 -0.08 2.53 1.47 -1.26 -3.02 116.67 114.84 2bud s ASP 410 Ca 0.63 0.80 0.03 0.00 1.18 0.00 0.00 52.55 55.19 2bud s ASP 410 Cb -0.36 1.23 -0.02 0.00 -0.34 0.00 0.00 42.92 43.43 2bud s ASP 410 CO 0.45 -0.13 -0.17 -1.61 0.68 0.00 0.00 175.17 174.39 2bud s GLU 411 N 1.40 2.87 -0.21 2.11 2.02 0.30 -3.73 118.70 123.47 2bud s GLU 411 Ca -0.09 -0.75 -0.05 0.00 0.02 0.00 0.00 54.97 54.10 2bud s GLU 411 Cb -0.04 -2.41 -0.02 0.00 0.10 0.00 0.00 34.13 31.76 2bud s GLU 411 CO -0.15 0.39 -0.01 0.71 0.02 0.00 0.00 175.26 176.22 2bud s TYR 412 N -0.14 3.02 0.43 1.61 1.51 -0.37 -0.56 117.35 122.85 2bud s TYR 412 Ca -0.02 -0.56 -0.25 0.00 -1.01 0.00 0.00 57.07 55.23 2bud s TYR 412 Cb -0.14 -2.09 -0.10 0.00 -0.11 0.00 0.00 41.96 39.53 2bud s TYR 412 CO 0.04 -0.31 1.22 0.98 -1.11 0.00 0.00 175.55 176.37 2bud n TYR 413 N 4.38 1.95 -4.10 2.71 9.36 0.87 -3.09 117.16 129.24 2bud n TYR 413 Ca -0.17 0.51 -0.16 0.00 3.32 0.00 0.00 57.90 61.39 2bud n TYR 413 Cb 0.52 -2.35 -0.15 0.00 -0.63 0.00 0.00 39.34 36.73 2bud n TYR 413 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2bud s VAL 414 N -1.22 0.35 -0.55 2.97 1.01 -0.97 -3.04 120.40 118.95 2bud s VAL 414 Ca 0.62 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.48 2bud s VAL 414 Cb -0.51 -0.34 0.14 0.00 0.00 0.00 0.00 36.38 35.67 2bud s VAL 414 CO 0.57 0.13 0.32 -2.28 0.00 0.00 0.00 175.10 173.83 2bud s HIS 415 N 0.22 3.29 -0.08 5.22 2.46 0.30 -3.38 115.29 123.31 2bud s HIS 415 Ca -0.02 -3.00 -0.29 0.00 0.47 0.00 0.00 55.06 52.21 2bud s HIS 415 Cb -0.06 -2.96 -0.07 0.00 -0.13 0.00 0.00 32.58 29.36 2bud s HIS 415 CO -0.00 -0.78 2.09 0.66 -2.47 0.00 0.00 174.74 174.23 2bud n TYR 416 N 3.29 2.27 -1.91 3.88 4.02 -1.26 -1.74 117.16 125.70 2bud n TYR 416 Ca 0.06 -0.26 -0.42 0.00 -0.01 0.00 0.00 57.90 57.27 2bud n TYR 416 Cb 0.35 -2.77 -0.03 0.00 -0.02 0.00 0.00 39.34 36.87 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 6.17 2.52 0.00 -0.72 1.01 -1.23 -2.93 120.40 125.21 2bud s VAL 417 Ca 0.94 0.39 0.00 0.00 0.00 0.00 0.00 61.98 63.31 2bud s VAL 417 Cb -0.40 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2bud s VAL 417 CO 0.39 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.14 2bud n GLY 418 N 3.47 1.23 3.76 4.51 0.00 -1.26 -4.91 105.19 112.00 2bud n GLY 418 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 2bud n GLY 418 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bud s LEU 419 N 0.00 4.07 0.97 0.99 1.02 -1.15 -4.96 118.68 119.62 2bud s LEU 419 Ca 0.00 2.85 -0.12 0.00 0.02 0.00 0.00 54.13 56.88 2bud s LEU 419 Cb 0.00 -4.00 0.11 0.00 0.02 0.00 0.00 46.19 42.32 2bud s LEU 419 CO 0.00 -1.21 0.74 -3.20 0.02 0.00 0.00 176.35 172.70 2bud n ASN 420 N -0.32 -1.05 0.27 2.29 5.15 -1.26 -4.77 115.26 115.55 2bud n ASN 420 Ca 0.06 0.29 0.10 0.00 -0.60 0.00 0.00 54.58 54.43 2bud n ASN 420 Cb 0.43 -1.31 0.70 0.00 -0.53 0.00 0.00 39.78 39.07 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 -1.85 0.00 -0.99 1.20 3.08 -1.92 -2.06 114.38 111.84 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 1.29 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.25 2bud h ARG 421 CO 0.39 0.00 0.62 -0.09 -1.07 0.00 0.00 179.97 179.81 2bud h ARG 422 N 0.00 0.84 -0.22 0.04 9.65 -2.01 0.29 114.38 122.97 2bud h ARG 422 Ca 0.00 -0.05 -0.14 0.00 -1.10 0.00 0.00 59.98 58.70 2bud h ARG 422 Cb 0.01 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.39 2bud h ARG 422 CO -0.00 0.56 -0.43 -0.07 2.80 0.00 0.00 179.97 182.83 2bud h LEU 423 N 0.86 0.57 -9.90 3.80 -0.00 -1.70 -3.44 115.31 105.50 2bud h LEU 423 Ca 0.51 -0.26 -0.54 0.00 -0.00 0.00 0.00 57.88 57.60 2bud h LEU 423 Cb 0.67 -0.16 0.10 0.00 -0.00 0.00 0.00 40.66 41.27 2bud h LEU 423 CO -0.29 0.93 0.81 -1.81 -0.00 0.00 0.00 178.44 178.08 2bud s ASP 424 N -6.86 6.35 0.00 -0.43 1.01 0.09 -4.90 116.67 111.92 2bud s ASP 424 Ca -0.07 3.02 0.00 0.00 0.71 0.00 0.00 52.55 56.21 2bud s ASP 424 Cb 0.12 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2bud s ASP 424 CO 0.82 -0.89 0.00 0.61 0.21 0.00 0.00 175.17 175.93 2bud n GLY 425 N 1.01 1.72 3.05 0.21 0.00 -1.22 -5.00 105.19 104.96 2bud n GLY 425 Ca 0.03 0.06 -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 0.87 1.39 0.12 1.61 0.52 -1.26 -2.29 118.94 119.90 2bud s TRP 426 Ca 0.00 -0.44 0.09 0.00 0.02 0.00 0.00 56.10 55.76 2bud s TRP 426 Cb 0.00 -0.99 -0.04 0.00 -1.15 0.00 0.00 33.47 31.29 2bud s TRP 426 CO 0.00 -0.20 -0.16 0.14 0.02 0.00 0.00 176.95 176.75 2bud s VAL 427 N 0.38 2.95 0.00 4.03 -7.23 -1.18 -4.92 120.40 114.43 2bud s VAL 427 Ca -0.09 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 2bud s VAL 427 Cb -0.13 -2.36 0.00 0.00 0.56 0.00 0.00 36.38 34.45 2bud s VAL 427 CO 0.02 0.08 0.91 0.61 -0.31 0.00 0.00 175.10 176.42 2bud n GLY 428 N 0.72 1.56 4.75 2.32 0.00 -1.26 -1.23 105.19 112.05 2bud n GLY 428 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.91 0.00 0.24 1.61 3.00 -1.24 -4.59 116.66 116.59 2bud n ARG 429 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 57.85 58.03 2bud n ARG 429 Cb 0.36 -0.09 0.84 0.00 0.00 0.00 0.00 32.46 33.57 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 0.04 -0.14 2.07 -1.91 -0.11 115.15 115.10 2bud h HIS 430 Ca 0.00 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.29 2bud h HIS 430 Cb 0.00 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.96 2bud h HIS 430 CO 0.00 0.00 -1.05 0.00 -3.07 0.00 0.00 177.93 173.81 2bud h ARG 431 N 0.00 0.10 -6.22 5.12 3.08 -1.84 -3.45 114.38 111.16 2bud h ARG 431 Ca 0.07 -0.16 -0.56 0.00 0.07 0.00 0.00 59.98 59.41 2bud h ARG 431 Cb 0.67 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.74 2bud h ARG 431 CO -0.00 1.05 0.04 0.42 -1.07 0.00 0.00 179.97 180.41 2bud s ILE 432 N -2.76 4.75 -0.24 2.04 1.01 -0.05 -0.76 121.20 125.19 2bud s ILE 432 Ca -0.01 1.38 -0.24 0.00 0.00 0.00 0.00 60.65 61.78 2bud s ILE 432 Cb 0.09 -3.99 0.07 0.00 0.01 0.00 0.00 42.46 38.64 2bud s ILE 432 CO 0.84 0.46 0.67 -0.44 0.00 0.00 0.00 174.94 176.47 2bud s SER 433 N -0.53 -0.69 0.00 3.58 0.01 -0.50 -4.97 113.70 110.59 2bud s SER 433 Ca 0.33 1.31 0.00 0.00 1.31 0.00 0.00 55.95 58.90 2bud s SER 433 Cb -0.20 1.32 0.00 0.00 0.21 0.00 0.00 66.02 67.35 2bud s SER 433 CO 0.20 -0.26 0.49 -0.90 0.41 0.00 0.00 173.24 173.18 2bud n ASP 434 N 2.60 0.50 -3.67 2.44 5.75 -1.26 -2.25 116.55 120.66 2bud n ASP 434 Ca -0.14 -1.47 -0.10 0.00 -0.01 0.00 0.00 54.79 53.07 2bud n ASP 434 Cb 0.55 -0.25 -0.09 0.00 -1.03 0.00 0.00 41.12 40.30 2bud n ASP 434 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2bud s ASN 435 N -0.58 -0.70 0.08 -1.12 2.47 -1.26 -4.97 114.94 108.86 2bud s ASN 435 Ca 0.00 1.18 -0.14 0.00 0.42 0.00 0.00 52.86 54.32 2bud s ASN 435 Cb 0.00 1.09 -0.17 0.00 -1.45 0.00 0.00 41.25 40.72 2bud s ASN 435 CO 0.00 -0.21 1.27 0.00 -3.72 0.00 0.00 177.10 174.44 2bud h ALA 436 N 6.69 0.26 -0.98 1.71 0.00 -1.95 -3.27 119.26 121.72 2bud h ALA 436 Ca -0.32 -0.57 0.23 0.00 0.00 0.00 0.00 54.91 54.24 2bud h ALA 436 Cb 1.20 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.86 2bud h ALA 436 CO 0.21 0.58 0.56 -0.44 0.00 0.00 0.00 179.25 180.17 2bud h ASP 437 N 0.40 0.64 -0.38 0.00 3.32 -1.94 0.56 116.42 119.02 2bud h ASP 437 Ca -0.05 0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 2bud h ASP 437 Cb 1.34 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.91 2bud h ASP 437 CO 0.14 0.12 0.05 0.44 -1.72 0.00 0.00 179.24 178.28 2bud h ASP 438 N 0.59 0.61 0.00 6.45 3.32 -2.00 -3.36 116.42 122.03 2bud h ASP 438 Ca 0.61 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.40 2bud h ASP 438 Cb 1.12 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.51 2bud h ASP 438 CO -0.46 0.72 0.00 0.18 -1.72 0.00 0.00 179.24 177.96 2bud n LEU 439 N -4.53 0.29 -1.38 1.55 4.77 0.12 -4.86 117.00 112.96 2bud n LEU 439 Ca -0.01 0.28 -0.05 0.00 -0.03 0.00 0.00 56.01 56.20 2bud n LEU 439 Cb 0.24 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 2bud n LEU 439 CO 0.39 0.00 0.37 0.61 -1.33 0.00 0.00 177.39 177.43 2bud n GLY 440 N 0.12 0.85 4.10 -0.72 0.00 -0.81 -5.00 105.19 103.73 2bud n GLY 440 Ca 0.00 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.26 -0.44 2.58 -0.02 0.00 -0.81 -3.78 105.19 102.46 2bud n GLY 441 Ca -0.23 0.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 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 -4.48-11.54 -0.38 -0.61 2.08 -1.26 -4.74 119.36 98.43 2bud n ILE 442 Ca 0.03 2.54 0.00 0.00 0.56 0.00 0.00 62.75 65.88 2bud n ILE 442 Cb 0.52 -5.92 0.00 0.00 -0.75 0.00 0.00 39.64 33.48 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 1.85 0.00 -3.23 1.39 5.66 -1.25 -4.89 114.28 113.81 2bud n THR 443 Ca -0.29 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.60 2bud n THR 443 Cb 0.45 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.27 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 0.00 -9.19 -4.00 1.08 0.31 -1.26 -4.89 118.33 100.38 2bud n VAL 444 Ca 0.00 -0.89 -0.17 0.00 -0.01 0.00 0.00 64.34 63.26 2bud n VAL 444 Cb 0.00 -6.44 -0.16 0.00 -0.91 0.00 0.00 33.84 26.33 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 -4.96 1.29 0.44 7.52 1.43 -1.26 -5.00 118.68 118.14 2bud s LEU 445 Ca 0.28 -0.05 -0.23 0.00 -1.03 0.00 0.00 54.13 53.09 2bud s LEU 445 Cb -0.05 -0.27 -0.08 0.00 0.03 0.00 0.00 46.19 45.82 2bud s LEU 445 CO 0.76 -0.07 1.15 -2.16 0.23 0.00 0.00 176.35 176.25 2bud s PRO 446 N 0.88 3.88 0.44 1.29 0.04 -1.26 -4.98 135.00 135.29 2bud s PRO 446 Ca -0.10 1.74 -0.24 0.00 0.04 0.00 0.00 61.00 62.45 2bud s PRO 446 Cb -0.13 -2.47 -0.10 0.00 0.04 0.00 0.00 34.50 31.84 2bud s PRO 446 CO -0.01 -0.45 1.09 0.00 0.04 0.00 0.00 177.00 177.68 2bud n ALA 447 N -0.32 0.54 -1.65 8.56 0.00 -1.26 -4.88 120.51 121.50 2bud n ALA 447 Ca 0.06 0.22 -0.45 0.00 0.00 0.00 0.00 53.44 53.27 2bud n ALA 447 Cb 0.48 -2.15 -0.02 0.00 0.00 0.00 0.00 19.45 17.76 2bud n ALA 447 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2bud n PRO 448 N -0.02 1.81 -1.79 0.00 -0.02 -1.26 -4.90 135.00 128.82 2bud n PRO 448 Ca 0.09 0.64 -0.41 0.00 -2.02 0.00 0.00 63.50 61.79 2bud n PRO 448 Cb 0.40 -2.20 -0.01 0.00 -0.02 0.00 0.00 33.50 31.66 2bud n PRO 448 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2bud s PRO 449 N -0.95 4.12 0.00 0.52 0.04 -1.26 -4.86 135.00 132.61 2bud s PRO 449 Ca 0.64 2.57 0.00 0.00 0.04 0.00 0.00 61.00 64.25 2bud s PRO 449 Cb -0.67 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 30.85 2bud s PRO 449 CO 0.55 -0.61 1.25 1.47 0.04 0.00 0.00 177.00 179.69 2bud n LEU 450 N 1.90 3.52 -4.76 -3.56 -0.00 -1.26 -4.91 117.00 107.93 2bud n LEU 450 Ca 0.07 -1.67 -0.41 0.00 -0.00 0.00 0.00 56.01 54.00 2bud n LEU 450 Cb 0.38 -0.67 -0.01 0.00 -0.00 0.00 0.00 43.42 43.12 2bud n LEU 450 CO 0.64 0.63 1.12 0.00 -0.00 0.00 0.00 177.39 179.77 2bud s ALA 451 N 0.12 3.61 0.34 1.47 0.00 -1.26 -4.95 121.76 121.10 2bud s ALA 451 Ca 0.00 1.44 -0.29 0.00 0.00 0.00 0.00 51.96 53.11 2bud s ALA 451 Cb 0.00 -3.57 -0.11 0.00 0.00 0.00 0.00 23.12 19.44 2bud s ALA 451 CO 0.00 -0.86 1.45 -1.25 0.00 0.00 0.00 175.76 175.09 2bud s PRO 452 N -1.21 4.19 0.33 0.00 0.04 -1.26 -4.69 135.00 132.40 2bud s PRO 452 Ca 0.56 2.46 0.00 0.00 0.04 0.00 0.00 61.00 64.05 2bud s PRO 452 Cb -0.44 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.09 2bud s PRO 452 CO 0.52 -0.44 0.00 -3.47 0.04 0.00 0.00 177.00 173.65 2bud n ASP 453 N 0.90 -7.14 0.00 6.66 2.03 -1.26 -5.27 116.55 112.47 2bud n ASP 453 Ca 0.02 0.96 0.01 0.00 0.52 0.00 0.00 54.79 56.30 2bud n ASP 453 Cb 0.40 -3.38 0.08 0.00 -0.72 0.00 0.00 41.12 37.49 2bud n ASP 453 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28