#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 0.53 0.00 1.61 4.64 -2.06 -3.44 113.55 114.83 2bud h SER 364 Ca 0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2bud h SER 364 Cb 0.00 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 2bud h SER 364 CO 0.00 0.47 0.00 0.00 -0.87 0.00 0.00 176.83 176.43 2bud n HIS 365 N -4.71 -0.51 -1.92 4.77 -0.00 -1.26 -4.95 115.22 106.64 2bud n HIS 365 Ca 0.01 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.35 2bud n HIS 365 Cb 0.08 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.10 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 0.00 3.12 -0.62 -1.40 1.00 -1.26 -4.98 119.30 115.16 2bud s MET 366 Ca 0.00 2.03 0.05 0.00 0.00 0.00 0.00 55.69 57.76 2bud s MET 366 Cb 0.00 -2.14 0.33 0.00 0.00 0.00 0.00 34.83 33.02 2bud s MET 366 CO 0.00 -1.14 0.99 -0.40 0.00 0.00 0.00 175.02 174.47 2bud n ASP 367 N -1.20 4.62 -1.45 3.03 5.68 -1.26 -4.88 116.55 121.09 2bud n ASP 367 Ca 0.11 -3.66 -0.06 0.00 -0.50 0.00 0.00 54.79 50.69 2bud n ASP 367 Cb 0.47 -0.62 0.03 0.00 -1.14 0.00 0.00 41.12 39.86 2bud n ASP 367 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 2bud n PRO 368 N -0.10 1.29 0.00 0.11 -0.04 -1.26 -3.03 135.00 131.97 2bud n PRO 368 Ca 0.32 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 2bud n PRO 368 Cb 0.38 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.60 0.00 -1.70 1.53 -0.00 -1.26 -4.90 117.00 111.27 2bud n LEU 369 Ca 0.12 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.98 2bud n LEU 369 Cb 0.63 0.00 0.17 0.00 -0.00 0.00 0.00 43.42 44.22 2bud n LEU 369 CO 0.14 0.00 0.94 0.80 -0.00 0.00 0.00 177.39 179.27 2bud n MET 370 N -0.71 2.15 -1.97 1.47 1.56 -1.21 -5.02 117.12 113.38 2bud n MET 370 Ca 0.00 -3.20 -0.41 0.00 -0.27 0.00 0.00 57.70 53.82 2bud n MET 370 Cb 0.00 -2.02 -0.01 0.00 2.15 0.00 0.00 33.22 33.34 2bud n MET 370 CO 0.00 0.00 0.00 1.14 -0.73 0.00 0.00 175.97 176.38 2bud s GLN 371 N -3.35 4.24 -0.39 2.12 -2.07 -1.17 -4.97 119.66 114.08 2bud s GLN 371 Ca 0.51 2.38 0.11 0.00 -1.82 0.00 0.00 55.36 56.54 2bud s GLN 371 Cb 0.44 -3.03 0.36 0.00 -1.09 0.00 0.00 33.01 29.69 2bud s GLN 371 CO 0.04 -0.35 0.93 1.63 -1.32 0.00 0.00 175.29 176.22 2bud n LYS 372 N 0.71 1.03 -3.32 9.60 5.02 -1.26 -5.00 118.16 124.93 2bud n LYS 372 Ca 0.01 -2.79 -0.26 0.00 -2.02 0.00 0.00 58.31 53.25 2bud n LYS 372 Cb 0.41 -1.31 -0.09 0.00 -0.02 0.00 0.00 35.03 34.02 2bud n LYS 372 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2bud n ILE 373 N 0.19 -0.60 -2.91 -0.18 2.08 -1.26 -4.88 119.36 111.79 2bud n ILE 373 Ca 0.15 -3.89 -0.43 0.00 0.56 0.00 0.00 62.75 59.14 2bud n ILE 373 Cb 0.71 -1.85 -0.05 0.00 -0.75 0.00 0.00 39.64 37.70 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 -0.77 6.46 0.04 4.38 1.01 -1.26 -4.90 116.67 121.63 2bud s ASP 374 Ca 0.34 0.02 -0.14 0.00 0.71 0.00 0.00 52.55 53.48 2bud s ASP 374 Cb 0.10 -2.41 -0.34 0.00 1.01 0.00 0.00 42.92 41.28 2bud s ASP 374 CO -0.14 -0.95 1.03 0.40 0.21 0.00 0.00 175.17 175.72 2bud h ILE 375 N 5.99 1.32 0.00 0.77 2.04 -1.91 -3.38 117.51 122.34 2bud h ILE 375 Ca -0.24 -2.76 -0.33 0.00 1.00 0.00 0.00 64.86 62.52 2bud h ILE 375 Cb 1.08 3.01 0.01 0.00 -0.74 0.00 0.00 36.82 40.19 2bud h ILE 375 CO 0.98 0.82 2.27 -1.20 0.00 0.00 0.00 178.15 181.02 2bud n SER 376 N -3.69 4.50 0.00 1.72 7.64 -1.26 -2.20 113.62 120.34 2bud n SER 376 Ca -0.15 -2.28 0.00 0.00 1.01 0.00 0.00 58.87 57.45 2bud n SER 376 Cb 1.09 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 2bud n SER 376 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2bud n GLU 377 N 4.08 0.00 -2.80 1.43 0.28 -1.26 -5.02 120.64 117.35 2bud n GLU 377 Ca 0.40 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 57.30 2bud n GLU 377 Cb 0.16 0.00 0.07 0.00 1.43 0.00 0.00 31.44 33.10 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 -0.17 -1.66 -0.34 -1.84 2.04 -0.93 -4.99 115.26 107.37 2bud n ASN 378 Ca 0.00 -3.40 0.10 0.00 -0.44 0.00 0.00 54.58 50.83 2bud n ASN 378 Cb 0.00 1.33 0.29 0.00 -2.53 0.00 0.00 39.78 38.87 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 2.87 0.85 -0.12 -0.53 0.11 -1.77 0.82 132.00 134.23 2bud h PRO 379 Ca -0.09 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.92 2bud h PRO 379 Cb 1.11 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 2bud h PRO 379 CO 0.18 0.56 -0.15 -0.44 -0.21 0.00 0.00 178.00 177.94 2bud h ASP 380 N 0.88 0.17 -1.44 -2.05 5.19 -1.93 -3.42 116.42 113.81 2bud h ASP 380 Ca 0.51 -0.04 -0.74 0.00 -0.62 0.00 0.00 57.03 56.14 2bud h ASP 380 Cb 0.64 -0.05 0.03 0.00 0.18 0.00 0.00 39.33 40.14 2bud h ASP 380 CO -0.28 0.35 0.57 1.17 -3.12 0.00 0.00 179.24 177.93 2bud n LYS 381 N -4.28 0.83 -2.66 3.56 4.81 0.28 -4.87 118.16 115.82 2bud n LYS 381 Ca -0.01 0.30 -0.43 0.00 -0.87 0.00 0.00 58.31 57.30 2bud n LYS 381 Cb 0.27 -1.92 -0.02 0.00 0.02 0.00 0.00 35.03 33.38 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 1.75 4.72 -0.01 3.15 -1.09 -1.26 -4.66 121.20 123.80 2bud s ILE 382 Ca 0.93 2.01 0.02 0.00 -2.23 0.00 0.00 60.65 61.38 2bud s ILE 382 Cb -1.11 -4.29 -0.03 0.00 -1.58 0.00 0.00 42.46 35.44 2bud s ILE 382 CO 0.59 -0.05 -0.05 -0.31 -1.23 0.00 0.00 174.94 173.89 2bud s TYR 383 N 2.39 2.94 0.02 3.97 1.51 -0.80 -4.90 117.35 122.48 2bud s TYR 383 Ca 0.48 -0.00 -0.17 0.00 -1.01 0.00 0.00 57.07 56.36 2bud s TYR 383 Cb -0.18 -1.64 -0.06 0.00 -0.11 0.00 0.00 41.96 39.98 2bud s TYR 383 CO 0.15 0.39 0.48 -0.06 -1.11 0.00 0.00 175.55 175.40 2bud s PHE 384 N -1.00 3.74 -0.08 2.71 0.40 -1.10 0.11 117.98 122.76 2bud s PHE 384 Ca 0.17 1.10 0.03 0.00 -0.60 0.00 0.00 56.93 57.63 2bud s PHE 384 Cb -0.11 -2.41 0.01 0.00 0.51 0.00 0.00 43.02 41.02 2bud s PHE 384 CO 0.07 0.57 -0.18 0.42 0.70 0.00 0.00 175.22 176.80 2bud s ILE 385 N -0.89 1.60 -0.26 0.64 1.09 0.76 -1.47 121.20 122.67 2bud s ILE 385 Ca 0.26 -0.76 -0.12 0.00 -1.10 0.00 0.00 60.65 58.94 2bud s ILE 385 Cb -0.18 -1.41 -0.05 0.00 -1.06 0.00 0.00 42.46 39.77 2bud s ILE 385 CO 0.15 0.46 0.22 -0.60 -0.10 0.00 0.00 174.94 175.07 2bud s ARG 386 N 0.47 4.02 0.31 2.79 3.52 -0.08 -0.28 118.95 129.69 2bud s ARG 386 Ca -0.16 -0.22 -0.04 0.00 -0.13 0.00 0.00 55.73 55.18 2bud s ARG 386 Cb -0.17 -3.61 0.07 0.00 -1.56 0.00 0.00 34.95 29.69 2bud s ARG 386 CO 0.06 -0.09 0.42 0.54 -0.81 0.00 0.00 175.30 175.42 2bud n ARG 387 N 4.77 -0.26 -0.14 5.12 1.74 -1.02 -4.67 116.66 122.19 2bud n ARG 387 Ca -0.13 -0.73 -0.09 0.00 -0.77 0.00 0.00 57.85 56.12 2bud n ARG 387 Cb 0.52 -0.40 -0.01 0.00 -1.02 0.00 0.00 32.46 31.55 2bud n ARG 387 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2bud h GLU 388 N 0.00 0.64 0.00 5.56 3.07 -1.98 -1.74 114.58 120.13 2bud h GLU 388 Ca -0.14 -0.13 0.00 0.00 -0.50 0.00 0.00 59.36 58.60 2bud h GLU 388 Cb 0.40 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 2bud h GLU 388 CO 0.10 0.62 0.00 -0.40 -1.40 0.00 0.00 179.01 177.93 2bud n ASP 389 N -4.60 0.00 -1.00 1.42 5.68 -1.26 -4.81 116.55 111.98 2bud n ASP 389 Ca 0.00 -0.87 -0.09 0.00 -0.50 0.00 0.00 54.79 53.33 2bud n ASP 389 Cb 0.17 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.14 2bud n ASP 389 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bud n GLY 390 N 0.08 0.11 3.51 6.12 0.00 -0.65 -4.48 105.19 109.89 2bud n GLY 390 Ca 0.06 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.44 4.94 0.09 2.61 -4.23 -1.26 -4.50 115.64 110.86 2bud s THR 391 Ca 0.00 -0.06 -0.30 0.00 -1.18 0.00 0.00 61.69 60.15 2bud s THR 391 Cb 0.00 -4.13 -0.06 0.00 1.34 0.00 0.00 72.50 69.65 2bud s THR 391 CO 0.00 -0.51 1.17 -0.69 -0.54 0.00 0.00 174.62 174.05 2bud s VAL 392 N 2.52 4.00 -0.08 2.29 1.01 -1.25 -2.45 120.40 126.45 2bud s VAL 392 Ca 0.18 1.51 -0.06 0.00 0.00 0.00 0.00 61.98 63.61 2bud s VAL 392 Cb -0.15 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.29 2bud s VAL 392 CO 0.16 0.16 0.20 -1.00 0.00 0.00 0.00 175.10 174.62 2bud s HIS 393 N 0.71 -0.24 0.66 5.22 3.76 0.62 -4.57 115.29 121.45 2bud s HIS 393 Ca 0.56 0.59 -0.18 0.00 -0.15 0.00 0.00 55.06 55.88 2bud s HIS 393 Cb -0.29 0.04 -0.01 0.00 1.11 0.00 0.00 32.58 33.43 2bud s HIS 393 CO 0.31 -0.15 1.21 0.54 -0.85 0.00 0.00 174.74 175.80 2bud n ARG 394 N 3.54 0.97 -3.65 1.40 1.74 -1.26 -0.17 116.66 119.23 2bud n ARG 394 Ca -0.19 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 2bud n ARG 394 Cb 0.56 -2.45 -0.06 0.00 -1.02 0.00 0.00 32.46 29.49 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 -1.43 0.46 -0.11 -0.13 0.00 0.31 -2.58 107.32 103.84 2bud s GLY 395 Ca 0.81 3.64 -0.19 0.00 0.00 0.00 0.00 44.72 48.97 2bud s GLY 395 CO 0.42 2.51 0.53 1.20 0.00 0.00 0.00 173.10 177.77 2bud s GLN 396 N 0.80 4.36 -0.11 2.90 -0.21 -0.27 -1.91 119.66 125.21 2bud s GLN 396 Ca -0.04 0.56 -0.24 0.00 0.02 0.00 0.00 55.36 55.65 2bud s GLN 396 Cb -0.03 -3.44 -0.03 0.00 1.00 0.00 0.00 33.01 30.51 2bud s GLN 396 CO -0.12 0.12 0.77 0.08 -2.12 0.00 0.00 175.29 174.02 2bud s VAL 397 N 0.72 4.96 0.00 1.09 1.01 -1.26 -0.82 120.40 126.11 2bud s VAL 397 Ca 0.29 1.55 0.00 0.00 0.00 0.00 0.00 61.98 63.81 2bud s VAL 397 Cb -0.16 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.13 2bud s VAL 397 CO 0.12 0.14 0.00 0.18 0.00 0.00 0.00 175.10 175.54 2bud n LEU 398 N 4.48 2.79 -4.53 3.92 4.77 -1.14 -4.81 117.00 122.49 2bud n LEU 398 Ca 0.02 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.74 2bud n LEU 398 Cb 0.50 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 2bud n LEU 398 CO 0.48 0.46 -0.22 -1.10 -1.33 0.00 0.00 177.39 175.69 2bud s GLN 399 N -1.94 1.90 -0.08 3.23 -1.52 -1.26 -4.96 119.66 115.02 2bud s GLN 399 Ca 0.00 -2.15 -0.30 0.00 -1.95 0.00 0.00 55.36 50.96 2bud s GLN 399 Cb 0.00 -0.75 0.08 0.00 -0.22 0.00 0.00 33.01 32.12 2bud s GLN 399 CO 0.00 -0.41 0.75 -1.54 -0.25 0.00 0.00 175.29 173.84 2bud s SER 400 N -3.61 -0.60 -0.20 5.90 1.04 -1.26 -0.06 113.70 114.90 2bud s SER 400 Ca 0.24 0.69 -0.27 0.00 0.48 0.00 0.00 55.95 57.10 2bud s SER 400 Cb 0.04 0.54 0.09 0.00 0.10 0.00 0.00 66.02 66.78 2bud s SER 400 CO 0.14 -0.53 0.80 0.00 0.98 0.00 0.00 173.24 174.62 2bud s ARG 401 N -1.08 0.81 -0.09 4.02 1.70 0.17 -4.97 118.95 119.50 2bud s ARG 401 Ca -0.08 0.63 0.02 0.00 -0.47 0.00 0.00 55.73 55.83 2bud s ARG 401 Cb -0.00 0.39 -0.02 0.00 -0.57 0.00 0.00 34.95 34.75 2bud s ARG 401 CO 0.08 -0.16 -0.16 0.95 -1.08 0.00 0.00 175.30 174.93 2bud s THR 402 N -0.24 2.88 0.59 4.99 -4.23 -1.26 -0.38 115.64 118.01 2bud s THR 402 Ca -0.03 -0.75 -0.10 0.00 -1.18 0.00 0.00 61.69 59.64 2bud s THR 402 Cb -0.03 -2.16 0.15 0.00 1.34 0.00 0.00 72.50 71.80 2bud s THR 402 CO 0.02 0.55 0.34 0.41 -0.54 0.00 0.00 174.62 175.40 2bud n THR 403 N 3.04 0.00 -0.33 3.99 -1.04 -0.94 -4.75 114.28 114.26 2bud n THR 403 Ca -0.18 0.00 0.19 0.00 -2.04 0.00 0.00 64.05 62.02 2bud n THR 403 Cb 0.52 -0.39 0.37 0.00 -1.82 0.00 0.00 70.33 69.02 2bud n THR 403 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2bud n GLU 404 N -3.24 -0.07 -3.42 -2.82 -0.58 -1.26 -3.88 120.64 105.37 2bud n GLU 404 Ca 0.05 1.44 -0.37 0.00 -0.42 0.00 0.00 57.16 57.86 2bud n GLU 404 Cb 0.23 -2.37 -0.07 0.00 -0.57 0.00 0.00 31.44 28.67 2bud n GLU 404 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2bud s ASN 405 N -4.88 6.54 -0.68 1.62 2.47 -1.26 -5.00 114.94 113.75 2bud s ASN 405 Ca -0.12 0.63 0.03 0.00 0.42 0.00 0.00 52.86 53.83 2bud s ASN 405 Cb 0.30 -2.23 0.35 0.00 -1.45 0.00 0.00 41.25 38.22 2bud s ASN 405 CO 0.77 0.03 1.26 0.00 -3.72 0.00 0.00 177.10 175.44 2bud n ALA 406 N 3.76 5.21 -1.07 1.71 0.00 -1.25 -3.94 120.51 124.93 2bud n ALA 406 Ca -0.09 -4.58 0.00 0.00 0.00 0.00 0.00 53.44 48.77 2bud n ALA 406 Cb 0.52 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.27 1.19 0.00 0.00 0.00 -1.26 -4.93 120.51 115.24 2bud n ALA 407 Ca 0.38 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2bud n ALA 407 Cb 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.04 0.00 -0.14 0.00 0.00 -1.26 -4.88 120.51 114.19 2bud n ALA 408 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2bud n ALA 408 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -1.62 0.43 -2.78 0.00 -0.02 -1.25 -4.84 135.00 124.92 2bud n PRO 409 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.07 2bud n PRO 409 Cb 0.00 -1.28 -0.04 0.00 -0.02 0.00 0.00 33.50 32.16 2bud n PRO 409 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2bud s ASP 410 N 1.88 7.34 -0.02 2.55 1.11 -1.26 -2.20 116.67 126.08 2bud s ASP 410 Ca 0.00 1.62 0.01 0.00 0.18 0.00 0.00 52.55 54.36 2bud s ASP 410 Cb 0.00 -2.55 0.01 0.00 1.07 0.00 0.00 42.92 41.46 2bud s ASP 410 CO 0.00 -0.16 -0.03 -1.61 1.18 0.00 0.00 175.17 174.55 2bud s GLU 411 N 0.59 0.40 -0.12 8.23 2.02 0.49 -3.71 118.70 126.60 2bud s GLU 411 Ca 0.47 -0.07 0.03 0.00 0.02 0.00 0.00 54.97 55.43 2bud s GLU 411 Cb -0.21 -0.45 0.00 0.00 0.10 0.00 0.00 34.13 33.57 2bud s GLU 411 CO 0.27 -0.01 -0.22 0.71 0.02 0.00 0.00 175.26 176.03 2bud s TYR 412 N 0.43 2.64 0.46 1.61 1.51 -0.53 0.43 117.35 123.90 2bud s TYR 412 Ca -0.05 -1.13 -0.25 0.00 -1.01 0.00 0.00 57.07 54.64 2bud s TYR 412 Cb -0.08 -1.78 -0.08 0.00 -0.11 0.00 0.00 41.96 39.91 2bud s TYR 412 CO -0.01 -0.49 1.31 0.98 -1.11 0.00 0.00 175.55 176.23 2bud n TYR 413 N 3.79 2.22 -3.53 2.71 9.36 0.91 -2.85 117.16 129.77 2bud n TYR 413 Ca -0.19 0.47 -0.20 0.00 3.32 0.00 0.00 57.90 61.30 2bud n TYR 413 Cb 0.52 -2.38 -0.14 0.00 -0.63 0.00 0.00 39.34 36.71 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 -1.23 -0.26 -0.73 2.97 0.11 -1.00 -2.88 120.40 117.37 2bud s VAL 414 Ca 0.63 -0.10 -0.20 0.00 -2.93 0.00 0.00 61.98 59.38 2bud s VAL 414 Cb -0.48 -0.63 0.10 0.00 -1.53 0.00 0.00 36.38 33.85 2bud s VAL 414 CO 0.56 -0.20 0.95 -2.28 -3.33 0.00 0.00 175.10 170.79 2bud s HIS 415 N 2.28 2.93 -0.00 1.54 2.46 0.00 -3.83 115.29 120.67 2bud s HIS 415 Ca 0.05 -0.97 -0.36 0.00 0.47 0.00 0.00 55.06 54.26 2bud s HIS 415 Cb -0.16 -4.21 -0.15 0.00 -0.13 0.00 0.00 32.58 27.94 2bud s HIS 415 CO -0.11 -1.49 1.61 0.66 -2.47 0.00 0.00 174.74 172.94 2bud n TYR 416 N 6.87 2.03 0.29 3.88 4.02 -1.26 -1.12 117.16 131.88 2bud n TYR 416 Ca 0.04 0.36 0.00 0.00 -0.01 0.00 0.00 57.90 58.30 2bud n TYR 416 Cb 0.46 -2.49 0.00 0.00 -0.02 0.00 0.00 39.34 37.28 2bud n TYR 416 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2bud n VAL 417 N 3.78 1.41 0.00 -0.72 0.31 -1.07 -4.02 118.33 118.03 2bud n VAL 417 Ca 0.20 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2bud n VAL 417 Cb 0.23 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 2bud n VAL 417 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bud n GLY 418 N 0.98 -0.01 3.73 2.92 0.00 -1.26 -4.97 105.19 106.57 2bud n GLY 418 Ca 0.00 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.80 3.24 0.36 0.99 1.02 -1.26 -4.92 118.68 115.32 2bud s LEU 419 Ca 0.00 2.23 -0.26 0.00 0.02 0.00 0.00 54.13 56.12 2bud s LEU 419 Cb 0.00 -4.57 -0.12 0.00 0.02 0.00 0.00 46.19 41.51 2bud s LEU 419 CO 0.00 -2.26 0.94 0.59 0.02 0.00 0.00 176.35 175.64 2bud n ASN 420 N -2.94 0.94 0.18 2.29 4.13 -1.26 -4.73 115.26 113.87 2bud n ASN 420 Ca 0.12 1.08 0.12 0.00 1.68 0.00 0.00 54.58 57.58 2bud n ASN 420 Cb 0.51 -1.29 0.66 0.00 -1.54 0.00 0.00 39.78 38.13 2bud n ASN 420 CO 0.00 0.00 0.00 0.08 0.28 0.00 0.00 177.26 177.62 2bud h ARG 421 N 1.62 0.00 -0.54 3.52 -0.00 -1.92 -0.55 114.38 116.51 2bud h ARG 421 Ca -0.41 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 59.51 2bud h ARG 421 Cb 1.35 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.29 2bud h ARG 421 CO 0.58 0.00 0.11 0.07 -0.00 0.00 0.00 179.97 180.73 2bud h ARG 422 N 0.00 0.84 -0.30 0.08 0.11 -2.02 -2.15 114.38 110.94 2bud h ARG 422 Ca 0.08 -0.18 -0.02 0.00 0.10 0.00 0.00 59.98 59.95 2bud h ARG 422 Cb 0.30 -0.12 -0.02 0.00 1.11 0.00 0.00 29.97 31.25 2bud h ARG 422 CO -0.00 0.77 0.09 -0.07 0.10 0.00 0.00 179.97 180.86 2bud h LEU 423 N 0.81 0.38 -9.48 0.08 4.07 -1.43 -3.44 115.31 106.30 2bud h LEU 423 Ca 0.17 -0.04 -0.61 0.00 0.08 0.00 0.00 57.88 57.49 2bud h LEU 423 Cb 0.32 -0.10 0.10 0.00 1.08 0.00 0.00 40.66 42.06 2bud h LEU 423 CO 0.00 0.37 0.24 0.47 -1.08 0.00 0.00 178.44 178.45 2bud n ASP 424 N -4.39 1.59 0.00 -0.43 8.00 -0.81 -4.90 116.55 115.61 2bud n ASP 424 Ca 0.01 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.68 2bud n ASP 424 Cb 0.15 -1.30 0.00 0.00 -0.02 0.00 0.00 41.12 39.95 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 1.47 2.16 3.19 0.44 0.00 -1.25 -5.05 105.19 106.15 2bud n GLY 425 Ca 0.11 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 0.37 2.22 0.19 1.61 0.52 -1.26 -2.37 118.94 120.22 2bud s TRP 426 Ca 0.00 -0.78 0.08 0.00 0.02 0.00 0.00 56.10 55.41 2bud s TRP 426 Cb 0.00 -1.49 -0.04 0.00 -1.15 0.00 0.00 33.47 30.79 2bud s TRP 426 CO 0.00 -0.29 0.01 0.14 0.02 0.00 0.00 176.95 176.83 2bud s VAL 427 N 0.17 3.73 -0.87 4.03 -7.23 -1.13 -4.91 120.40 114.20 2bud s VAL 427 Ca -0.11 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 2bud s VAL 427 Cb -0.15 -2.90 0.00 0.00 0.56 0.00 0.00 36.38 33.89 2bud s VAL 427 CO 0.05 -0.16 0.32 0.61 -0.31 0.00 0.00 175.10 175.62 2bud n GLY 428 N -0.28 0.89 4.80 2.32 0.00 -1.26 -1.45 105.19 110.21 2bud n GLY 428 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.28 0.00 0.16 1.61 3.00 -1.24 -4.47 116.66 115.99 2bud n ARG 429 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.96 2bud n ARG 429 Cb 0.16 -0.09 0.57 0.00 0.00 0.00 0.00 32.46 33.10 2bud n ARG 429 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 2bud n HIS 430 N 0.00 0.71 0.10 -0.14 1.44 -1.26 -0.47 115.22 115.60 2bud n HIS 430 Ca 0.00 0.37 -0.15 0.00 -2.01 0.00 0.00 57.72 55.93 2bud n HIS 430 Cb 0.00 -1.09 -0.12 0.00 0.12 0.00 0.00 29.99 28.90 2bud n HIS 430 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2bud h ARG 431 N 0.00 0.29 -6.23 -1.40 3.08 -1.83 -3.45 114.38 104.83 2bud h ARG 431 Ca 0.00 -0.44 -0.56 0.00 0.07 0.00 0.00 59.98 59.05 2bud h ARG 431 Cb 0.01 0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 2bud h ARG 431 CO 0.00 1.18 0.04 0.42 -1.07 0.00 0.00 179.97 180.54 2bud s ILE 432 N -2.79 4.74 -0.27 2.04 1.01 0.38 -0.91 121.20 125.40 2bud s ILE 432 Ca -0.04 1.37 -0.24 0.00 0.00 0.00 0.00 60.65 61.74 2bud s ILE 432 Cb 0.08 -3.98 0.07 0.00 0.01 0.00 0.00 42.46 38.64 2bud s ILE 432 CO 0.88 0.47 0.71 -0.44 0.00 0.00 0.00 174.94 176.55 2bud s SER 433 N -0.62 -0.76 0.45 3.58 0.01 -0.54 -4.97 113.70 110.85 2bud s SER 433 Ca 0.32 1.44 0.28 0.00 1.31 0.00 0.00 55.95 59.30 2bud s SER 433 Cb -0.20 1.44 0.95 0.00 0.21 0.00 0.00 66.02 68.42 2bud s SER 433 CO 0.20 -0.25 1.82 -2.24 0.41 0.00 0.00 173.24 173.18 2bud h ASP 434 N 5.26 0.00 -3.35 2.44 2.03 -1.90 -2.92 116.42 117.98 2bud h ASP 434 Ca -0.29 0.00 -0.65 0.00 -0.73 0.00 0.00 57.03 55.36 2bud h ASP 434 Cb 1.17 0.00 -0.20 0.00 -0.83 0.00 0.00 39.33 39.47 2bud h ASP 434 CO 0.07 0.00 -0.66 0.20 -1.03 0.00 0.00 179.24 177.82 2bud s ASN 435 N -5.58 4.89 0.21 4.15 0.01 -1.26 -4.86 114.94 112.51 2bud s ASN 435 Ca 0.04 -0.06 -0.06 0.00 -0.71 0.00 0.00 52.86 52.07 2bud s ASN 435 Cb 0.08 -1.66 0.16 0.00 0.41 0.00 0.00 41.25 40.24 2bud s ASN 435 CO 0.57 0.23 1.67 0.00 -1.51 0.00 0.00 177.10 178.06 2bud h ALA 436 N 6.25 0.91 -0.96 0.60 0.00 -1.97 -3.02 119.26 121.07 2bud h ALA 436 Ca -0.37 -0.31 0.17 0.00 0.00 0.00 0.00 54.91 54.40 2bud h ALA 436 Cb 1.19 -0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.67 2bud h ALA 436 CO 0.61 0.64 0.56 -0.44 0.00 0.00 0.00 179.25 180.62 2bud h ASP 437 N 0.86 0.73 -0.09 0.00 3.32 -1.97 -0.51 116.42 118.77 2bud h ASP 437 Ca 0.15 0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.21 2bud h ASP 437 Cb 0.57 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 2bud h ASP 437 CO 0.03 0.29 0.04 0.47 -1.72 0.00 0.00 179.24 178.35 2bud n ASP 438 N -4.78 5.54 0.00 6.45 8.00 -1.14 -4.37 116.55 126.25 2bud n ASP 438 Ca 0.21 -2.53 0.00 0.00 0.71 0.00 0.00 54.79 53.18 2bud n ASP 438 Cb 0.51 -1.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.46 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 1.40 0.00 -1.31 0.64 4.77 -0.22 -4.86 117.00 117.42 2bud n LEU 439 Ca 0.10 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.03 2bud n LEU 439 Cb 0.55 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.63 2bud n LEU 439 CO 0.08 0.00 0.34 0.61 -1.33 0.00 0.00 177.39 177.09 2bud n GLY 440 N -0.11 0.55 3.43 -0.72 0.00 -1.10 -5.00 105.19 102.24 2bud n GLY 440 Ca 0.00 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.34 -0.50 3.27 -0.02 0.00 -1.19 -3.56 105.19 102.84 2bud n GLY 441 Ca -0.19 0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.39 -6.36 -3.65 -0.61 2.08 -1.26 -5.02 119.36 100.15 2bud n ILE 442 Ca -0.03 0.40 -0.03 0.00 0.56 0.00 0.00 62.75 63.66 2bud n ILE 442 Cb 0.56 -4.82 -0.07 0.00 -0.75 0.00 0.00 39.64 34.57 2bud n ILE 442 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2bud s THR 443 N -1.82 0.00 -0.22 1.39 -1.32 -1.23 -5.01 115.64 107.42 2bud s THR 443 Ca 0.32 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.58 2bud s THR 443 Cb -0.05 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.93 2bud s THR 443 CO 0.81 0.00 0.71 0.68 -2.21 0.00 0.00 174.62 174.60 2bud s VAL 444 N 0.86 4.95 -0.18 5.08 -7.23 -1.26 -3.78 120.40 118.84 2bud s VAL 444 Ca -0.04 1.32 -0.29 0.00 -1.81 0.00 0.00 61.98 61.16 2bud s VAL 444 Cb -0.04 -4.01 -0.01 0.00 0.56 0.00 0.00 36.38 32.89 2bud s VAL 444 CO -0.12 0.03 1.20 -0.76 -0.31 0.00 0.00 175.10 175.13 2bud s LEU 445 N 2.35 4.16 0.46 1.32 1.02 -1.26 -5.01 118.68 121.72 2bud s LEU 445 Ca 0.31 1.61 -0.23 0.00 0.02 0.00 0.00 54.13 55.83 2bud s LEU 445 Cb -0.16 -3.54 -0.07 0.00 0.02 0.00 0.00 46.19 42.44 2bud s LEU 445 CO 0.09 -0.73 1.17 -2.84 0.02 0.00 0.00 176.35 174.07 2bud s PRO 446 N 3.35 3.77 -0.59 1.29 0.02 -1.26 -4.27 135.00 137.30 2bud s PRO 446 Ca 0.52 1.79 -0.03 0.00 0.02 0.00 0.00 61.00 63.30 2bud s PRO 446 Cb -0.20 -2.42 0.00 0.00 0.02 0.00 0.00 34.50 31.90 2bud s PRO 446 CO 0.13 -0.55 0.58 0.00 -0.33 0.00 0.00 177.00 176.83 2bud n ALA 447 N -0.46 -2.48 -1.90 -1.55 0.00 -1.26 -4.94 120.51 107.92 2bud n ALA 447 Ca 0.07 0.19 -0.42 0.00 0.00 0.00 0.00 53.44 53.28 2bud n ALA 447 Cb 0.48 -1.65 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 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 -2.89 4.26 -0.03 0.00 0.04 -1.26 -4.89 135.00 130.23 2bud s PRO 448 Ca 0.04 2.31 -0.05 0.00 0.04 0.00 0.00 61.00 63.33 2bud s PRO 448 Cb -0.01 -3.13 -0.23 0.00 0.04 0.00 0.00 34.50 31.17 2bud s PRO 448 CO 0.65 -0.47 3.17 -0.35 0.04 0.00 0.00 177.00 180.04 2bud n PRO 449 N 2.78 1.75 -3.65 0.56 -0.04 -1.26 -4.71 135.00 130.43 2bud n PRO 449 Ca 0.09 -0.88 -0.04 0.00 -0.04 0.00 0.00 63.50 62.63 2bud n PRO 449 Cb 0.40 -1.95 -0.07 0.00 -0.04 0.00 0.00 33.50 31.85 2bud n PRO 449 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2bud s LEU 450 N 0.00 -0.22 0.28 1.53 2.96 -1.26 -5.11 118.68 116.86 2bud s LEU 450 Ca 0.58 0.41 0.00 0.00 -0.22 0.00 0.00 54.13 54.89 2bud s LEU 450 Cb 0.27 1.40 0.00 0.00 0.50 0.00 0.00 46.19 48.36 2bud s LEU 450 CO -0.00 -0.07 0.00 0.00 -1.32 0.00 0.00 176.35 174.96 2bud n ALA 451 N 2.31 -2.25 -1.82 5.97 0.00 -1.26 -4.88 120.51 118.58 2bud n ALA 451 Ca -0.13 0.38 -0.41 0.00 0.00 0.00 0.00 53.44 53.27 2bud n ALA 451 Cb 0.57 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 2bud n ALA 451 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2bud s PRO 452 N -2.30 4.20 0.00 0.00 0.02 -1.26 -4.88 135.00 130.78 2bud s PRO 452 Ca 0.00 2.42 -0.02 0.00 0.02 0.00 0.00 61.00 63.43 2bud s PRO 452 Cb 0.00 -3.07 -0.08 0.00 0.02 0.00 0.00 34.50 31.37 2bud s PRO 452 CO 0.00 -0.50 2.41 -0.40 -0.33 0.00 0.00 177.00 178.17 2bud n ASP 453 N 2.15 5.13 0.00 2.53 5.75 -1.26 -5.19 116.55 125.65 2bud n ASP 453 Ca 0.07 -2.39 0.00 0.00 -0.01 0.00 0.00 54.79 52.46 2bud n ASP 453 Cb 0.39 -1.17 0.00 0.00 -1.03 0.00 0.00 41.12 39.31 2bud n ASP 453 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09