#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kui s ILE 356 N 0.00 4.07 0.48 -0.61 1.10 -1.26 -5.02 121.20 119.96 2kui s ILE 356 Ca 0.00 1.71 -0.12 0.00 -0.51 0.00 0.00 60.65 61.72 2kui s ILE 356 Cb 0.00 -4.09 -0.06 0.00 0.15 0.00 0.00 42.46 38.46 2kui s ILE 356 CO 0.00 0.26 0.88 0.42 -2.11 0.00 0.00 174.94 174.39 2kui s THR 357 N 0.05 4.69 -1.12 4.00 -4.23 -1.26 -4.98 115.64 112.80 2kui s THR 357 Ca 0.50 0.84 -0.06 0.00 -1.18 0.00 0.00 61.69 61.79 2kui s THR 357 Cb -0.28 -3.76 0.28 0.00 1.34 0.00 0.00 72.50 70.08 2kui s THR 357 CO 0.33 -0.69 1.48 0.54 -0.54 0.00 0.00 174.62 175.74 2kui n ARG 358 N -1.67 4.16 -2.92 3.99 5.12 -1.26 -4.99 116.66 119.08 2kui n ARG 358 Ca 0.04 -4.36 -0.34 0.00 -1.93 0.00 0.00 57.85 51.26 2kui n ARG 358 Cb 0.54 -2.60 -0.07 0.00 -1.16 0.00 0.00 32.46 29.18 2kui n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2kui s ASP 359 N -0.69 6.98 0.12 0.55 1.01 -1.26 -3.69 116.67 119.68 2kui s ASP 359 Ca 0.33 1.58 0.00 0.00 0.71 0.00 0.00 52.55 55.17 2kui s ASP 359 Cb 0.03 -2.49 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 2kui s ASP 359 CO 0.06 -0.23 -0.00 0.68 0.21 0.00 0.00 175.17 175.88 2kui s VAL 360 N -1.97 0.42 -0.02 -1.27 -7.23 0.06 -4.88 120.40 105.51 2kui s VAL 360 Ca 0.56 -1.92 -0.14 0.00 -1.81 0.00 0.00 61.98 58.67 2kui s VAL 360 Cb -0.12 -1.90 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 2kui s VAL 360 CO 0.17 -0.65 0.38 -1.58 -0.31 0.00 0.00 175.10 173.10 2kui s GLN 361 N -3.94 3.89 -0.15 4.82 0.74 -1.26 -0.87 119.66 122.88 2kui s GLN 361 Ca 0.18 0.34 -0.17 0.00 0.05 0.00 0.00 55.36 55.77 2kui s GLN 361 Cb 0.07 -3.23 -0.04 0.00 1.10 0.00 0.00 33.01 30.90 2kui s GLN 361 CO -0.01 0.67 0.41 0.08 -0.55 0.00 0.00 175.29 175.89 2kui s VAL 362 N -0.97 5.22 0.04 1.34 1.01 -0.42 -4.98 120.40 121.63 2kui s VAL 362 Ca 0.23 0.80 -0.30 0.00 0.00 0.00 0.00 61.98 62.70 2kui s VAL 362 Cb -0.16 -3.75 -0.09 0.00 0.00 0.00 0.00 36.38 32.38 2kui s VAL 362 CO 0.12 0.32 1.91 -2.84 0.00 0.00 0.00 175.10 174.61 2kui s PRO 363 N 0.77 4.15 -1.11 2.72 0.02 -1.26 -4.40 135.00 135.88 2kui s PRO 363 Ca 0.22 2.56 -0.17 0.00 0.02 0.00 0.00 61.00 63.63 2kui s PRO 363 Cb -0.14 -4.08 0.14 0.00 0.02 0.00 0.00 34.50 30.43 2kui s PRO 363 CO 0.08 -0.93 1.36 0.34 -0.33 0.00 0.00 177.00 177.53 2kui s ASP 364 N 4.12 6.85 -0.09 2.53 2.15 -1.26 -4.78 116.67 126.18 2kui s ASP 364 Ca 0.86 -2.48 0.11 0.00 0.43 0.00 0.00 52.55 51.47 2kui s ASP 364 Cb -0.42 -2.43 0.46 0.00 -0.30 0.00 0.00 42.92 40.23 2kui s ASP 364 CO 0.40 -0.97 1.29 1.33 -0.17 0.00 0.00 175.17 177.05 2kui n VAL 365 N 5.31 1.26 -2.02 1.11 0.24 -1.26 -4.94 118.33 118.02 2kui n VAL 365 Ca 0.33 -0.75 -0.37 0.00 -2.04 0.00 0.00 64.34 61.51 2kui n VAL 365 Cb 0.46 -0.10 0.03 0.00 -1.47 0.00 0.00 33.84 32.75 2kui n VAL 365 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kui s ARG 366 N -1.81 3.19 0.00 7.34 1.04 -1.26 -3.35 118.95 124.10 2kui s ARG 366 Ca 0.32 1.90 0.00 0.00 -1.04 0.00 0.00 55.73 56.91 2kui s ARG 366 Cb 0.22 -2.11 0.00 0.00 -2.04 0.00 0.00 34.95 31.02 2kui s ARG 366 CO 0.14 -1.05 0.00 0.41 -0.04 0.00 0.00 175.30 174.76 2kui n GLY 367 N 0.54 0.63 0.00 3.88 0.00 0.21 -4.99 105.19 105.46 2kui n GLY 367 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2kui n GLY 367 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kui n GLN 368 N -1.36 3.52 -2.95 1.61 6.02 -1.21 -4.88 117.38 118.13 2kui n GLN 368 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.73 2kui n GLN 368 Cb 0.00 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.26 2kui n GLN 368 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2kui s SER 369 N -0.07 6.21 0.18 1.08 1.04 -1.26 -0.86 113.70 120.01 2kui s SER 369 Ca 0.00 0.68 -0.13 0.00 0.48 0.00 0.00 55.95 56.98 2kui s SER 369 Cb 0.00 -2.08 0.15 0.00 0.10 0.00 0.00 66.02 64.18 2kui s SER 369 CO 0.00 -0.50 1.76 0.77 0.98 0.00 0.00 173.24 176.25 2kui h SER 370 N 0.43 0.24 -0.27 7.02 4.64 -1.30 -0.21 113.55 124.09 2kui h SER 370 Ca -0.48 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 60.86 2kui h SER 370 Cb 1.22 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 2kui h SER 370 CO 0.61 0.17 0.08 0.00 -0.87 0.00 0.00 176.83 176.82 2kui h ALA 371 N 1.30 0.36 -0.35 5.18 0.00 -1.94 -0.11 119.26 123.71 2kui h ALA 371 Ca 0.22 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2kui h ALA 371 Cb 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2kui h ALA 371 CO -0.20 0.01 -0.03 0.22 0.00 0.00 0.00 179.25 179.24 2kui h ASP 372 N 0.28 0.63 -0.11 0.00 1.82 -1.89 0.12 116.42 117.26 2kui h ASP 372 Ca 0.09 -0.33 -0.01 0.00 -0.39 0.00 0.00 57.03 56.39 2kui h ASP 372 Cb 0.26 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.10 2kui h ASP 372 CO -0.00 0.81 0.05 0.00 -1.61 0.00 0.00 179.24 178.48 2kui h ALA 373 N 0.84 0.15 -0.50 -0.78 0.00 -0.97 -0.73 119.26 117.27 2kui h ALA 373 Ca 0.09 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2kui h ALA 373 Cb 0.50 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2kui h ALA 373 CO 0.02 -0.27 0.03 0.82 0.00 0.00 0.00 179.25 179.86 2kui h ILE 374 N 0.03 1.26 -0.68 0.00 2.04 -0.98 -2.62 117.51 116.56 2kui h ILE 374 Ca 0.04 -1.02 0.01 0.00 1.00 0.00 0.00 64.86 64.88 2kui h ILE 374 Cb 0.17 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 2kui h ILE 374 CO -0.00 0.36 0.45 0.00 0.00 0.00 0.00 178.15 178.95 2kui h ALA 375 N 0.95 0.86 -0.20 1.87 0.00 -0.78 0.26 119.26 122.21 2kui h ALA 375 Ca 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2kui h ALA 375 Cb 0.47 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2kui h ALA 375 CO 0.02 0.27 0.09 1.15 0.00 0.00 0.00 179.25 180.78 2kui h THR 376 N 0.90 1.16 -0.60 0.00 2.02 -1.00 -0.18 112.91 115.21 2kui h THR 376 Ca 0.25 -0.46 -0.06 0.00 0.77 0.00 0.00 66.41 66.91 2kui h THR 376 Cb -0.09 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 2kui h THR 376 CO -0.06 0.15 0.15 -0.07 0.37 0.00 0.00 175.52 176.06 2kui h LEU 377 N 0.18 0.91 -0.89 2.58 4.07 -1.17 -2.15 115.31 118.85 2kui h LEU 377 Ca 0.07 -0.23 -0.05 0.00 0.08 0.00 0.00 57.88 57.74 2kui h LEU 377 Cb 0.16 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.63 2kui h LEU 377 CO -0.01 0.91 0.22 -0.61 -1.08 0.00 0.00 178.44 177.87 2kui h GLN 378 N 0.87 1.04 -0.06 1.13 5.75 -0.77 0.95 115.11 124.03 2kui h GLN 378 Ca 0.19 -0.21 -0.05 0.00 -0.15 0.00 0.00 58.65 58.43 2kui h GLN 378 Cb 0.35 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 2kui h GLN 378 CO 0.00 0.88 -0.22 -0.91 -2.65 0.00 0.00 178.83 175.93 2kui h ASN 379 N 1.00 0.09 0.79 -0.69 2.35 -0.77 -1.38 115.58 116.98 2kui h ASN 379 Ca 0.22 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2kui h ASN 379 Cb 0.27 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.62 2kui h ASN 379 CO -0.01 0.31 -0.07 0.54 -1.65 0.00 0.00 177.43 176.55 2kui n ARG 380 N -4.24 0.15 -0.03 0.81 5.12 -0.53 -4.89 116.66 113.06 2kui n ARG 380 Ca -0.02 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 2kui n ARG 380 Cb 0.30 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 2kui n ARG 380 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kui n GLY 381 N 1.44 0.52 3.80 -0.13 0.00 -0.52 -4.74 105.19 105.55 2kui n GLY 381 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2kui n GLY 381 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kui s PHE 382 N -2.05 3.36 -0.04 1.61 0.08 0.22 -4.21 117.98 116.95 2kui s PHE 382 Ca 0.00 1.66 -0.04 0.00 0.12 0.00 0.00 56.93 58.67 2kui s PHE 382 Cb 0.00 -2.96 -0.04 0.00 -0.57 0.00 0.00 43.02 39.45 2kui s PHE 382 CO 0.00 -0.24 0.16 0.15 -0.10 0.00 0.00 175.22 175.19 2kui s LYS 383 N -2.75 3.41 -0.01 0.44 -0.14 0.41 -3.51 119.74 117.59 2kui s LYS 383 Ca 0.59 -0.29 0.04 0.00 -1.36 0.00 0.00 55.97 54.96 2kui s LYS 383 Cb -0.15 -3.10 -0.01 0.00 -1.68 0.00 0.00 37.83 32.88 2kui s LYS 383 CO 0.20 0.70 -0.14 0.42 -0.76 0.00 0.00 175.35 175.76 2kui s ILE 384 N -1.24 1.13 -0.17 2.17 1.09 -1.26 -0.10 121.20 122.83 2kui s ILE 384 Ca 0.24 -0.65 -0.03 0.00 -1.10 0.00 0.00 60.65 59.11 2kui s ILE 384 Cb -0.12 -0.95 -0.02 0.00 -1.06 0.00 0.00 42.46 40.30 2kui s ILE 384 CO 0.15 0.30 -0.04 -0.60 -0.10 0.00 0.00 174.94 174.64 2kui s ARG 385 N -0.40 3.60 -0.14 2.79 3.52 0.83 -4.90 118.95 124.25 2kui s ARG 385 Ca 0.05 -0.55 0.00 0.00 -0.13 0.00 0.00 55.73 55.10 2kui s ARG 385 Cb -0.06 -2.92 -0.01 0.00 -1.56 0.00 0.00 34.95 30.41 2kui s ARG 385 CO -0.00 0.16 -0.14 0.99 -0.81 0.00 0.00 175.30 175.49 2kui s THR 386 N 0.58 2.85 -0.21 4.11 2.01 -1.26 0.26 115.64 123.98 2kui s THR 386 Ca -0.03 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.21 2kui s THR 386 Cb -0.14 -2.20 -0.01 0.00 0.01 0.00 0.00 72.50 70.16 2kui s THR 386 CO 0.03 0.52 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.21 2kui s LEU 387 N 0.57 2.90 -0.13 4.42 1.98 0.68 -4.95 118.68 124.16 2kui s LEU 387 Ca -0.09 -0.38 -0.13 0.00 -2.89 0.00 0.00 54.13 50.64 2kui s LEU 387 Cb -0.16 -1.74 -0.05 0.00 0.66 0.00 0.00 46.19 44.91 2kui s LEU 387 CO 0.03 -0.00 0.30 -1.10 -1.89 0.00 0.00 176.35 173.69 2kui s GLN 388 N 1.39 4.12 -0.02 1.98 1.11 -1.26 -0.77 119.66 126.20 2kui s GLN 388 Ca 0.05 0.14 0.01 0.00 0.01 0.00 0.00 55.36 55.57 2kui s GLN 388 Cb -0.14 -3.37 0.01 0.00 -1.01 0.00 0.00 33.01 28.50 2kui s GLN 388 CO -0.03 0.37 -0.04 0.15 0.01 0.00 0.00 175.29 175.76 2kui s LYS 389 N 0.06 0.51 -0.15 2.91 1.02 -0.61 -4.94 119.74 118.52 2kui s LYS 389 Ca 0.18 -0.09 -0.19 0.00 0.02 0.00 0.00 55.97 55.89 2kui s LYS 389 Cb -0.14 -0.55 -0.04 0.00 -0.52 0.00 0.00 37.83 36.59 2kui s LYS 389 CO 0.06 -0.01 0.51 -1.25 -0.92 0.00 0.00 175.35 173.73 2kui s PRO 390 N 0.49 4.28 0.00 -1.68 0.04 -1.20 -1.67 135.00 135.25 2kui s PRO 390 Ca -0.05 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.44 2kui s PRO 390 Cb -0.09 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.96 2kui s PRO 390 CO -0.00 0.01 0.00 -3.47 0.04 0.00 0.00 177.00 173.58 2kui n ASP 391 N 4.20 0.00 0.00 6.66 -0.08 -0.73 -4.86 116.55 121.74 2kui n ASP 391 Ca -0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.22 2kui n ASP 391 Cb 0.51 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.97 2kui n ASP 391 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2kui n SER 392 N 1.47 0.00 -0.08 1.67 2.88 -1.26 -4.63 113.62 113.67 2kui n SER 392 Ca 0.00 -1.00 0.13 0.00 -1.33 0.00 0.00 58.87 56.67 2kui n SER 392 Cb 0.00 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 63.86 2kui n SER 392 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2kui n THR 393 N 0.00 0.00 -4.15 2.46 5.66 -1.26 -4.79 114.28 112.21 2kui n THR 393 Ca 0.00 -0.04 -0.29 0.00 -3.05 0.00 0.00 64.05 60.67 2kui n THR 393 Cb 0.32 0.12 -0.08 0.00 -1.55 0.00 0.00 70.33 69.15 2kui n THR 393 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 2kui s ILE 394 N -2.77 3.95 -0.07 1.09 -0.00 -1.26 -5.00 121.20 117.13 2kui s ILE 394 Ca 0.18 -1.14 -0.07 0.00 -0.00 0.00 0.00 60.65 59.63 2kui s ILE 394 Cb 0.19 -2.92 -0.03 0.00 -0.00 0.00 0.00 42.46 39.69 2kui s ILE 394 CO 0.59 0.03 0.29 -2.65 -0.00 0.00 0.00 174.94 173.20 2kui n PRO 395 N 0.28 0.00 -0.69 0.37 -0.02 -1.26 -4.63 135.00 129.06 2kui n PRO 395 Ca -0.10 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.08 2kui n PRO 395 Cb 0.53 -0.22 0.20 0.00 -0.02 0.00 0.00 33.50 33.99 2kui n PRO 395 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2kui s PRO 396 N 0.74 0.27 0.00 0.52 0.04 -1.26 -0.61 135.00 134.70 2kui s PRO 396 Ca 0.17 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.41 2kui s PRO 396 Cb -0.22 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2kui s PRO 396 CO 0.10 -3.03 0.87 -3.47 0.04 0.00 0.00 177.00 171.52 2kui n ASP 397 N -4.47 0.00 -4.40 6.66 2.03 -1.25 -3.46 116.55 111.66 2kui n ASP 397 Ca 0.08 0.38 -0.40 0.00 0.52 0.00 0.00 54.79 55.37 2kui n ASP 397 Cb 0.53 -0.38 -0.11 0.00 -0.72 0.00 0.00 41.12 40.44 2kui n ASP 397 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2kui s HIS 398 N -2.75 3.23 -0.02 -0.67 3.76 -1.26 -0.77 115.29 116.81 2kui s HIS 398 Ca 0.00 -0.84 -0.30 0.00 -0.15 0.00 0.00 55.06 53.77 2kui s HIS 398 Cb 0.00 -2.44 -0.07 0.00 1.11 0.00 0.00 32.58 31.18 2kui s HIS 398 CO 0.00 -0.60 1.84 0.14 -0.85 0.00 0.00 174.74 175.27 2kui s VAL 399 N 1.58 3.26 -0.07 -0.90 -7.23 -0.04 -4.85 120.40 112.15 2kui s VAL 399 Ca 0.03 0.31 0.14 0.00 -1.81 0.00 0.00 61.98 60.65 2kui s VAL 399 Cb -0.19 -3.21 -0.22 0.00 0.56 0.00 0.00 36.38 33.33 2kui s VAL 399 CO 0.07 -0.03 0.64 0.00 -0.31 0.00 0.00 175.10 175.46 2kui n ILE 400 N 5.63 1.50 -3.94 -0.62 0.13 -1.26 0.64 119.36 121.44 2kui n ILE 400 Ca 0.19 -0.78 -0.09 0.00 -1.10 0.00 0.00 62.75 60.97 2kui n ILE 400 Cb 0.42 -0.92 -0.08 0.00 -0.84 0.00 0.00 39.64 38.22 2kui n ILE 400 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 2kui s GLY 401 N -5.08 0.35 0.24 4.50 0.00 -1.26 -4.60 107.32 101.46 2kui s GLY 401 Ca -0.05 -0.84 0.03 0.00 0.00 0.00 0.00 44.72 43.86 2kui s GLY 401 CO 0.82 -0.91 0.10 -1.30 0.00 0.00 0.00 173.10 171.81 2kui n THR 402 N -0.10 0.00 -3.89 0.90 -2.24 -1.26 -4.62 114.28 103.06 2kui n THR 402 Ca -0.11 -1.42 -0.36 0.00 -2.27 0.00 0.00 64.05 59.89 2kui n THR 402 Cb 0.63 0.55 -0.08 0.00 -2.10 0.00 0.00 70.33 69.33 2kui n THR 402 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2kui s ASP 403 N -2.48 6.07 0.61 3.42 2.15 -1.26 -4.98 116.67 120.20 2kui s ASP 403 Ca 0.14 0.27 0.27 0.00 0.43 0.00 0.00 52.55 53.67 2kui s ASP 403 Cb 0.01 -2.00 1.22 0.00 -0.30 0.00 0.00 42.92 41.84 2kui s ASP 403 CO 0.10 0.28 1.63 -0.65 -0.17 0.00 0.00 175.17 176.36 2kui h PRO 404 N 5.96 0.00 0.00 4.34 0.11 -1.99 -0.30 132.00 140.12 2kui h PRO 404 Ca -0.46 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 2kui h PRO 404 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2kui h PRO 404 CO 0.67 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.44 2kui h ALA 405 N 1.02 1.79 -0.03 -0.75 0.00 -1.94 0.53 119.26 119.88 2kui h ALA 405 Ca 0.31 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.03 2kui h ALA 405 Cb 1.88 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 2kui h ALA 405 CO -0.00 0.03 -0.74 0.00 0.00 0.00 0.00 179.25 178.54 2kui h ALA 406 N 1.98 0.70 -0.01 0.00 0.00 -1.37 -2.85 119.26 117.70 2kui h ALA 406 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2kui h ALA 406 Cb 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2kui h ALA 406 CO 0.00 0.83 -0.08 0.09 0.00 0.00 0.00 179.25 180.09 2kui n ASN 407 N -3.76 0.93 -4.87 0.00 5.03 0.02 -1.30 115.26 111.31 2kui n ASN 407 Ca -0.03 -1.08 -0.29 0.00 0.87 0.00 0.00 54.58 54.05 2kui n ASN 407 Cb 0.71 0.01 -0.05 0.00 -1.02 0.00 0.00 39.78 39.43 2kui n ASN 407 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2kui s THR 408 N -2.21 5.03 -0.42 3.41 2.01 -0.31 -4.92 115.64 118.23 2kui s THR 408 Ca 0.35 -0.65 -0.29 0.00 0.31 0.00 0.00 61.69 61.40 2kui s THR 408 Cb 0.21 -3.50 0.02 0.00 0.01 0.00 0.00 72.50 69.24 2kui s THR 408 CO 0.41 0.05 1.12 -0.44 -0.69 0.00 0.00 174.62 175.07 2kui s SER 409 N -2.73 6.74 0.38 3.53 0.01 -1.26 -4.05 113.70 116.32 2kui s SER 409 Ca 0.33 0.69 0.07 0.00 1.31 0.00 0.00 55.95 58.35 2kui s SER 409 Cb -0.12 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.49 2kui s SER 409 CO 0.26 -1.12 -0.01 0.68 0.41 0.00 0.00 173.24 173.46 2kui s VAL 410 N 4.18 1.92 0.25 3.43 -7.23 -0.05 -4.74 120.40 118.16 2kui s VAL 410 Ca 0.47 -2.05 -0.31 0.00 -1.81 0.00 0.00 61.98 58.29 2kui s VAL 410 Cb -0.09 -2.87 -0.11 0.00 0.56 0.00 0.00 36.38 33.87 2kui s VAL 410 CO 0.26 -0.06 1.59 -0.44 -0.31 0.00 0.00 175.10 176.14 2kui s SER 411 N -3.65 6.46 -0.18 4.85 0.01 -1.26 -0.76 113.70 119.17 2kui s SER 411 Ca 0.34 2.83 -0.29 0.00 1.31 0.00 0.00 55.95 60.15 2kui s SER 411 Cb 0.08 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.64 2kui s SER 411 CO 0.17 -0.88 2.08 0.00 0.41 0.00 0.00 173.24 175.02 2kui s ALA 412 N 0.44 2.95 0.00 1.44 0.00 -1.24 -2.58 121.76 122.77 2kui s ALA 412 Ca 0.66 0.81 0.00 0.00 0.00 0.00 0.00 51.96 53.43 2kui s ALA 412 Cb -0.47 -4.01 0.00 0.00 0.00 0.00 0.00 23.12 18.65 2kui s ALA 412 CO 0.41 -2.47 0.00 0.41 0.00 0.00 0.00 175.76 174.11 2kui n GLY 413 N 5.39 1.31 3.57 0.00 0.00 -1.26 -4.96 105.19 109.25 2kui n GLY 413 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 2kui n GLY 413 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kui s ASP 414 N -1.32 0.57 -0.23 1.61 2.15 -1.06 -3.98 116.67 114.41 2kui s ASP 414 Ca 0.00 0.55 -0.07 0.00 0.43 0.00 0.00 52.55 53.46 2kui s ASP 414 Cb 0.00 -0.72 -0.03 0.00 -0.30 0.00 0.00 42.92 41.87 2kui s ASP 414 CO 0.00 -4.33 0.05 -1.61 -0.17 0.00 0.00 175.17 169.11 2kui s GLU 415 N -5.47 3.69 -0.13 4.34 2.02 -1.26 -0.45 118.70 121.44 2kui s GLU 415 Ca 0.72 -0.47 -0.01 0.00 0.02 0.00 0.00 54.97 55.23 2kui s GLU 415 Cb -0.08 -3.24 -0.02 0.00 0.10 0.00 0.00 34.13 30.89 2kui s GLU 415 CO 0.56 -0.06 -0.10 0.42 0.02 0.00 0.00 175.26 176.09 2kui s ILE 416 N 1.26 3.33 -0.14 -1.63 -1.09 0.86 -4.94 121.20 118.85 2kui s ILE 416 Ca 0.04 -0.56 -0.12 0.00 -2.23 0.00 0.00 60.65 57.78 2kui s ILE 416 Cb -0.15 -2.42 -0.05 0.00 -1.58 0.00 0.00 42.46 38.27 2kui s ILE 416 CO 0.03 0.52 0.26 -0.89 -1.23 0.00 0.00 174.94 173.63 2kui s THR 417 N 0.28 5.32 -0.06 2.92 2.01 -1.26 -0.12 115.64 124.74 2kui s THR 417 Ca -0.08 0.48 0.05 0.00 0.31 0.00 0.00 61.69 62.46 2kui s THR 417 Cb -0.15 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.77 2kui s THR 417 CO 0.05 0.45 -0.21 0.54 -0.69 0.00 0.00 174.62 174.75 2kui s VAL 418 N 0.10 1.76 -0.16 3.82 0.11 0.14 -4.10 120.40 122.06 2kui s VAL 418 Ca 0.16 -0.89 -0.14 0.00 -2.93 0.00 0.00 61.98 58.17 2kui s VAL 418 Cb -0.13 -1.50 -0.04 0.00 -1.53 0.00 0.00 36.38 33.17 2kui s VAL 418 CO 0.04 0.49 0.32 0.20 -3.33 0.00 0.00 175.10 172.83 2kui s ASN 419 N 0.00 6.45 0.00 3.54 0.01 -1.26 -0.23 114.94 123.45 2kui s ASN 419 Ca -0.06 0.53 0.01 0.00 -0.71 0.00 0.00 52.86 52.63 2kui s ASN 419 Cb -0.13 -2.20 -0.00 0.00 0.41 0.00 0.00 41.25 39.33 2kui s ASN 419 CO 0.04 0.06 -0.02 0.54 -1.51 0.00 0.00 177.10 176.21 2kui s VAL 420 N 0.63 0.15 -0.26 1.60 0.11 0.05 -4.70 120.40 117.97 2kui s VAL 420 Ca 0.18 -0.21 -0.11 0.00 -2.93 0.00 0.00 61.98 58.91 2kui s VAL 420 Cb -0.13 -0.16 -0.05 0.00 -1.53 0.00 0.00 36.38 34.51 2kui s VAL 420 CO 0.05 -0.04 0.18 -0.94 -3.33 0.00 0.00 175.10 171.02 2kui s SER 421 N -0.26 6.03 -0.16 3.54 1.04 0.22 -1.58 113.70 122.54 2kui s SER 421 Ca -0.02 0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.46 2kui s SER 421 Cb -0.02 -2.11 0.02 0.00 0.10 0.00 0.00 66.02 64.01 2kui s SER 421 CO -0.00 -0.00 -0.19 0.28 0.98 0.00 0.00 173.24 174.31 2kui s THR 422 N 1.48 1.90 0.00 2.02 -1.32 -0.67 -3.74 115.64 115.32 2kui s THR 422 Ca 0.07 -0.85 0.00 0.00 -1.21 0.00 0.00 61.69 59.70 2kui s THR 422 Cb -0.15 -1.73 0.00 0.00 -1.51 0.00 0.00 72.50 69.11 2kui s THR 422 CO 0.08 0.52 0.00 0.61 -2.21 0.00 0.00 174.62 173.62 2kui n GLY 423 N 4.52 3.72 3.81 6.08 0.00 -1.26 -3.27 105.19 118.79 2kui n GLY 423 Ca -0.20 -1.44 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 2kui n GLY 423 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kui s PRO 424 N -5.24 3.09 0.80 1.61 0.02 -1.26 -1.77 135.00 132.25 2kui s PRO 424 Ca 0.00 1.05 -0.11 0.00 0.02 0.00 0.00 61.00 61.96 2kui s PRO 424 Cb 0.00 -2.01 0.07 0.00 0.02 0.00 0.00 34.50 32.59 2kui s PRO 424 CO 0.00 -0.99 1.10 -1.21 -0.33 0.00 0.00 177.00 175.57 2kui s GLU 425 N -4.65 2.04 0.31 5.54 2.02 -1.26 -4.14 118.70 118.56 2kui s GLU 425 Ca 0.60 0.65 -0.03 0.00 0.02 0.00 0.00 54.97 56.21 2kui s GLU 425 Cb -0.15 -1.91 -0.04 0.00 0.10 0.00 0.00 34.13 32.13 2kui s GLU 425 CO 0.48 -1.65 0.56 -0.65 0.02 0.00 0.00 175.26 174.01 2kui s GLN 426 N -5.15 3.57 0.16 1.61 -0.21 -1.26 -4.36 119.66 114.02 2kui s GLN 426 Ca 0.61 -0.12 0.10 0.00 0.02 0.00 0.00 55.36 55.97 2kui s GLN 426 Cb -0.15 -2.65 -0.04 0.00 1.00 0.00 0.00 33.01 31.18 2kui s GLN 426 CO 0.54 0.18 -0.22 1.03 -2.12 0.00 0.00 175.29 174.70 2kui s ARG 427 N -3.86 1.35 0.03 2.91 1.81 0.62 -4.88 118.95 116.94 2kui s ARG 427 Ca 0.42 -1.39 -0.17 0.00 -1.72 0.00 0.00 55.73 52.87 2kui s ARG 427 Cb -0.10 -1.62 -0.06 0.00 -0.45 0.00 0.00 34.95 32.71 2kui s ARG 427 CO 0.33 0.36 0.50 -1.21 -0.68 0.00 0.00 175.30 174.60 2kui s GLU 428 N -2.46 4.10 -0.13 3.54 2.02 -1.26 0.25 118.70 124.76 2kui s GLU 428 Ca 0.15 0.59 -0.24 0.00 0.02 0.00 0.00 54.97 55.50 2kui s GLU 428 Cb -0.08 -3.25 -0.03 0.00 0.10 0.00 0.00 34.13 30.87 2kui s GLU 428 CO 0.07 0.61 0.75 0.42 0.02 0.00 0.00 175.26 177.13 2kui s ILE 429 N -0.93 4.97 0.32 -1.63 1.01 0.11 -4.95 121.20 120.11 2kui s ILE 429 Ca 0.27 1.49 -0.28 0.00 0.00 0.00 0.00 60.65 62.12 2kui s ILE 429 Cb -0.18 -4.07 -0.09 0.00 0.01 0.00 0.00 42.46 38.13 2kui s ILE 429 CO 0.16 0.14 1.12 -2.84 0.00 0.00 0.00 174.94 173.52 2kui s PRO 430 N 1.54 4.46 -0.33 2.79 0.02 -1.24 -3.84 135.00 138.39 2kui s PRO 430 Ca 0.37 1.81 -0.28 0.00 0.02 0.00 0.00 61.00 62.91 2kui s PRO 430 Cb -0.17 -3.01 0.02 0.00 0.02 0.00 0.00 34.50 31.35 2kui s PRO 430 CO 0.15 0.04 1.04 0.34 -0.33 0.00 0.00 177.00 178.24 2kui s ASP 431 N -0.97 6.88 0.16 2.53 2.15 -1.10 -4.82 116.67 121.49 2kui s ASP 431 Ca 0.49 0.96 0.06 0.00 0.43 0.00 0.00 52.55 54.48 2kui s ASP 431 Cb -0.31 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 39.74 2kui s ASP 431 CO 0.40 -0.87 0.08 -0.69 -0.17 0.00 0.00 175.17 173.93 2kui s VAL 432 N 3.60 4.24 0.63 1.11 1.01 -1.26 -5.10 120.40 124.63 2kui s VAL 432 Ca 0.44 -1.15 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 2kui s VAL 432 Cb -0.12 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 2kui s VAL 432 CO 0.16 -0.08 1.16 -0.44 0.00 0.00 0.00 175.10 175.90 2kui s SER 433 N -2.96 5.09 0.42 3.32 0.01 -1.26 -4.94 113.70 113.39 2kui s SER 433 Ca 0.29 2.21 0.18 0.00 1.31 0.00 0.00 55.95 59.95 2kui s SER 433 Cb -0.10 -2.58 0.93 0.00 0.21 0.00 0.00 66.02 64.48 2kui s SER 433 CO 0.22 -1.65 1.89 0.71 0.41 0.00 0.00 173.24 174.82 2kui h THR 434 N 0.46 1.00 0.00 1.44 1.35 -1.99 -1.56 112.91 113.61 2kui h THR 434 Ca -0.49 -1.07 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 2kui h THR 434 Cb 1.27 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 2kui h THR 434 CO 0.54 0.28 -0.43 0.00 -0.25 0.00 0.00 175.52 175.66 2kui n LEU 435 N -3.90 0.44 -2.15 3.87 -0.00 -1.26 -0.29 117.00 113.71 2kui n LEU 435 Ca -0.02 0.09 -0.27 0.00 -0.00 0.00 0.00 56.01 55.82 2kui n LEU 435 Cb 0.37 -0.28 0.09 0.00 -0.00 0.00 0.00 43.42 43.60 2kui n LEU 435 CO 0.36 0.09 1.32 0.41 -0.00 0.00 0.00 177.39 179.57 2kui n THR 436 N -1.54 3.22 -0.33 1.47 -1.04 -0.59 -4.63 114.28 110.85 2kui n THR 436 Ca 0.06 -2.27 0.12 0.00 -2.04 0.00 0.00 64.05 59.92 2kui n THR 436 Cb 0.34 -1.02 0.34 0.00 -1.82 0.00 0.00 70.33 68.17 2kui n THR 436 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 2kui h TYR 437 N 1.54 0.98 -0.90 -1.42 3.20 -1.71 -0.96 116.97 117.70 2kui h TYR 437 Ca 0.52 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.41 2kui h TYR 437 Cb 1.36 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 39.29 2kui h TYR 437 CO 1.28 0.30 0.51 0.00 -1.64 0.00 0.00 178.16 178.60 2kui h ALA 438 N 1.60 1.15 -0.15 1.82 0.00 -1.95 -0.58 119.26 121.15 2kui h ALA 438 Ca 0.52 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 55.17 2kui h ALA 438 Cb 0.79 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2kui h ALA 438 CO -0.29 0.64 -0.52 1.49 0.00 0.00 0.00 179.25 180.56 2kui h GLU 439 N 1.25 0.41 0.10 0.00 4.57 -1.60 -2.69 114.58 116.62 2kui h GLU 439 Ca 0.32 -0.25 -0.00 0.00 -1.18 0.00 0.00 59.36 58.25 2kui h GLU 439 Cb -0.00 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 2kui h GLU 439 CO -0.05 0.84 -0.05 0.00 -1.18 0.00 0.00 179.01 178.56 2kui h ALA 440 N 1.12 -0.13 -0.71 2.92 0.00 -0.21 0.33 119.26 122.57 2kui h ALA 440 Ca 0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kui h ALA 440 Cb 1.03 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2kui h ALA 440 CO 0.09 -0.57 0.43 -0.39 0.00 0.00 0.00 179.25 178.80 2kui h VAL 441 N -0.13 1.20 -0.23 0.00 -1.51 -1.18 0.23 116.25 114.63 2kui h VAL 441 Ca -0.01 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 2kui h VAL 441 Cb 0.10 0.20 -0.01 0.00 -2.13 0.00 0.00 31.29 29.45 2kui h VAL 441 CO 0.02 0.21 0.15 0.50 -1.23 0.00 0.00 177.57 177.22 2kui h LYS 442 N 0.97 0.31 -0.66 5.19 1.63 -1.08 -0.32 116.57 122.62 2kui h LYS 442 Ca 0.25 -0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 59.96 2kui h LYS 442 Cb -0.04 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.50 2kui h LYS 442 CO -0.05 0.22 0.11 0.87 -3.45 0.00 0.00 179.45 177.15 2kui h LYS 443 N 0.30 1.08 -0.42 1.90 1.79 0.44 0.92 116.57 122.58 2kui h LYS 443 Ca 0.08 -0.28 -0.07 0.00 -2.18 0.00 0.00 60.65 58.20 2kui h LYS 443 Cb -0.01 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.49 2kui h LYS 443 CO -0.02 0.98 -0.03 -0.07 -1.08 0.00 0.00 179.45 179.23 2kui h LEU 444 N 1.01 0.67 -0.27 2.94 4.07 -0.83 -0.47 115.31 122.44 2kui h LEU 444 Ca 0.20 -0.16 -0.12 0.00 0.08 0.00 0.00 57.88 57.88 2kui h LEU 444 Cb 0.43 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 41.99 2kui h LEU 444 CO 0.01 0.76 -0.31 0.74 -1.08 0.00 0.00 178.44 178.56 2kui h THR 445 N 0.65 1.31 0.00 0.22 2.02 -0.46 0.07 112.91 116.73 2kui h THR 445 Ca 0.13 -1.49 -0.01 0.00 0.77 0.00 0.00 66.41 65.80 2kui h THR 445 Cb 0.45 1.65 -0.00 0.00 -1.74 0.00 0.00 68.15 68.51 2kui h THR 445 CO 0.02 0.47 -0.06 0.00 0.37 0.00 0.00 175.52 176.33 2kui h ALA 446 N 0.68 1.10 -0.06 6.16 0.00 -0.54 -0.98 119.26 125.62 2kui h ALA 446 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kui h ALA 446 Cb 0.89 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2kui h ALA 446 CO 0.08 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.39 2kui n ALA 447 N -2.16 2.56 0.00 0.00 0.00 -0.21 -4.95 120.51 115.75 2kui n ALA 447 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2kui n ALA 447 Cb 0.23 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2kui n ALA 447 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kui n GLY 448 N 0.84 1.90 0.43 0.00 0.00 -0.37 -4.71 105.19 103.28 2kui n GLY 448 Ca 0.12 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 2kui n GLY 448 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2kui h PHE 449 N 0.00 -1.69 -3.01 1.61 -5.15 -1.72 -3.46 116.94 103.52 2kui h PHE 449 Ca 0.00 0.10 -0.41 0.00 -0.20 0.00 0.00 57.97 57.46 2kui h PHE 449 Cb 0.00 0.82 -0.02 0.00 0.22 0.00 0.00 35.95 36.97 2kui h PHE 449 CO 0.00 -0.44 -0.52 0.41 -2.00 0.00 0.00 178.31 175.76 2kui n GLY 450 N -1.35 -0.43 3.42 6.09 0.00 -0.01 -4.92 105.19 108.00 2kui n GLY 450 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2kui n GLY 450 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kui s ARG 451 N -5.01 2.93 -0.00 1.61 1.81 -1.26 -4.76 118.95 114.27 2kui s ARG 451 Ca 0.00 -1.03 -0.01 0.00 -1.72 0.00 0.00 55.73 52.98 2kui s ARG 451 Cb 0.00 -3.82 -0.00 0.00 -0.45 0.00 0.00 34.95 30.68 2kui s ARG 451 CO 0.00 -0.70 0.02 -0.59 -0.68 0.00 0.00 175.30 173.35 2kui s PHE 452 N 1.61 0.05 -0.09 -0.53 -0.12 -1.26 -1.71 117.98 115.93 2kui s PHE 452 Ca 0.03 -0.10 0.00 0.00 -0.05 0.00 0.00 56.93 56.82 2kui s PHE 452 Cb -0.19 -0.04 0.02 0.00 -0.63 0.00 0.00 43.02 42.18 2kui s PHE 452 CO 0.08 -0.07 -0.06 0.15 -0.05 0.00 0.00 175.22 175.26 2kui s LYS 453 N -0.43 1.28 -0.14 1.99 -0.14 -0.18 -4.94 119.74 117.18 2kui s LYS 453 Ca -0.05 -0.19 -0.19 0.00 -1.36 0.00 0.00 55.97 54.19 2kui s LYS 453 Cb -0.03 -1.34 -0.04 0.00 -1.68 0.00 0.00 37.83 34.75 2kui s LYS 453 CO -0.00 -0.20 0.51 -1.14 -0.76 0.00 0.00 175.35 173.76 2kui s GLN 454 N 1.48 4.30 -0.04 1.68 0.74 -1.26 0.17 119.66 126.74 2kui s GLN 454 Ca -0.00 0.47 0.05 0.00 0.05 0.00 0.00 55.36 55.93 2kui s GLN 454 Cb -0.13 -3.48 -0.02 0.00 1.10 0.00 0.00 33.01 30.48 2kui s GLN 454 CO -0.05 0.05 -0.19 0.00 -0.55 0.00 0.00 175.29 174.55 2kui s ALA 455 N 0.96 2.44 -0.12 1.58 0.00 0.11 -4.94 121.76 121.79 2kui s ALA 455 Ca 0.26 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 51.20 2kui s ALA 455 Cb -0.15 -0.80 -0.01 0.00 0.00 0.00 0.00 23.12 22.16 2kui s ALA 455 CO 0.11 0.53 -0.15 -0.80 0.00 0.00 0.00 175.76 175.44 2kui s ASN 456 N -0.62 3.82 -0.01 0.00 0.01 -1.26 -0.20 114.94 116.69 2kui s ASN 456 Ca 0.09 -0.36 0.03 0.00 -0.71 0.00 0.00 52.86 51.91 2kui s ASN 456 Cb -0.11 -1.50 -0.01 0.00 0.41 0.00 0.00 41.25 40.05 2kui s ASN 456 CO 0.00 0.18 -0.10 -0.55 -1.51 0.00 0.00 177.10 175.13 2kui s SER 457 N 0.25 1.13 -0.09 -1.22 0.15 -0.82 -4.96 113.70 108.14 2kui s SER 457 Ca -0.11 -0.18 -0.30 0.00 0.70 0.00 0.00 55.95 56.07 2kui s SER 457 Cb -0.16 -0.12 -0.03 0.00 -1.71 0.00 0.00 66.02 63.99 2kui s SER 457 CO 0.06 0.12 1.37 -2.16 1.20 0.00 0.00 173.24 173.82 2kui s PRO 458 N -0.25 4.25 0.34 5.44 0.04 -1.24 -0.37 135.00 143.21 2kui s PRO 458 Ca 0.04 1.84 0.04 0.00 0.04 0.00 0.00 61.00 62.96 2kui s PRO 458 Cb -0.04 -3.75 -0.02 0.00 0.04 0.00 0.00 34.50 30.74 2kui s PRO 458 CO -0.00 -0.68 0.35 -1.12 0.04 0.00 0.00 177.00 175.59 2kui s SER 459 N 2.19 1.47 0.28 6.66 0.01 0.95 -4.90 113.70 120.36 2kui s SER 459 Ca 0.61 -1.69 -0.29 0.00 1.31 0.00 0.00 55.95 55.89 2kui s SER 459 Cb -0.27 0.60 -0.14 0.00 0.21 0.00 0.00 66.02 66.43 2kui s SER 459 CO 0.21 -1.15 1.16 1.07 0.41 0.00 0.00 173.24 174.94 2kui n THR 460 N -0.61 1.73 -0.14 1.44 5.66 -1.26 -4.56 114.28 116.53 2kui n THR 460 Ca 0.05 -0.43 0.27 0.00 -3.05 0.00 0.00 64.05 60.89 2kui n THR 460 Cb 0.62 -1.21 0.72 0.00 -1.55 0.00 0.00 70.33 68.91 2kui n THR 460 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 2kui h PRO 461 N 2.62 0.00 0.00 1.09 0.13 -1.93 0.08 132.00 134.00 2kui h PRO 461 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2kui h PRO 461 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2kui h PRO 461 CO 0.64 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.46 2kui h GLU 462 N 0.00 0.00 -0.01 0.86 4.11 -1.99 -2.61 114.58 114.94 2kui h GLU 462 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.82 2kui h GLU 462 Cb 1.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.82 2kui h GLU 462 CO -0.00 0.00 -0.62 1.28 0.07 0.00 0.00 179.01 179.73 2kui n LEU 463 N -3.07 1.52 -4.71 3.06 7.99 -0.00 -4.90 117.00 116.89 2kui n LEU 463 Ca 0.02 -0.66 -0.42 0.00 -0.01 0.00 0.00 56.01 54.94 2kui n LEU 463 Cb 0.37 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.65 2kui n LEU 463 CO 0.29 0.31 1.39 -0.69 -1.51 0.00 0.00 177.39 177.17 2kui s VAL 464 N -2.50 2.34 0.00 4.08 1.01 -0.99 -1.47 120.40 122.87 2kui s VAL 464 Ca 0.13 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.22 2kui s VAL 464 Cb 0.16 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.47 2kui s VAL 464 CO 0.63 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.34 2kui n GLY 465 N 4.04 1.54 3.75 4.51 0.00 0.53 -4.95 105.19 114.61 2kui n GLY 465 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 2kui n GLY 465 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kui s LYS 466 N -0.62 2.41 0.37 1.61 1.02 -0.54 -4.85 119.74 119.14 2kui s LYS 466 Ca 0.00 -1.53 -0.25 0.00 0.02 0.00 0.00 55.97 54.21 2kui s LYS 466 Cb 0.00 -2.21 -0.09 0.00 -0.52 0.00 0.00 37.83 35.01 2kui s LYS 466 CO 0.00 0.09 1.01 0.08 -0.92 0.00 0.00 175.35 175.62 2kui s VAL 467 N -2.42 3.90 -0.17 3.17 1.01 0.60 -0.43 120.40 126.06 2kui s VAL 467 Ca 0.38 1.50 0.13 0.00 0.00 0.00 0.00 61.98 64.00 2kui s VAL 467 Cb -0.03 -3.80 -0.23 0.00 0.00 0.00 0.00 36.38 32.32 2kui s VAL 467 CO 0.23 0.06 0.17 -0.38 0.00 0.00 0.00 175.10 175.18 2kui n ILE 468 N 0.18 1.47 -0.65 2.22 5.41 0.82 -4.77 119.36 124.04 2kui n ILE 468 Ca 0.04 -0.79 0.00 0.00 1.00 0.00 0.00 62.75 62.99 2kui n ILE 468 Cb 0.50 -0.79 0.00 0.00 -0.71 0.00 0.00 39.64 38.63 2kui n ILE 468 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2kui n GLY 469 N 1.79 -2.67 3.51 7.39 0.00 -1.16 -5.04 105.19 109.02 2kui n GLY 469 Ca -0.31 -1.31 -0.31 0.00 0.00 0.00 0.00 46.02 44.09 2kui n GLY 469 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kui s THR 470 N -2.16 3.10 0.01 2.61 -4.23 -1.26 -1.63 115.64 112.07 2kui s THR 470 Ca 0.00 -1.15 -0.25 0.00 -1.18 0.00 0.00 61.69 59.11 2kui s THR 470 Cb 0.00 -2.36 -0.16 0.00 1.34 0.00 0.00 72.50 71.32 2kui s THR 470 CO 0.00 0.28 1.22 -1.13 -0.54 0.00 0.00 174.62 174.44 2kui h ASN 471 N 4.26 -0.34 -3.74 3.99 -1.24 -1.78 -3.41 115.58 113.32 2kui h ASN 471 Ca -0.48 -0.19 -0.51 0.00 0.71 0.00 0.00 56.30 55.83 2kui h ASN 471 Cb 1.16 0.09 0.02 0.00 0.73 0.00 0.00 38.32 40.32 2kui h ASN 471 CO 0.50 0.04 0.51 -2.16 -1.29 0.00 0.00 177.43 175.03 2kui s PRO 472 N -4.60 4.57 0.22 6.67 0.04 -1.26 -4.97 135.00 135.68 2kui s PRO 472 Ca -0.14 1.87 -0.31 0.00 0.04 0.00 0.00 61.00 62.45 2kui s PRO 472 Cb 0.02 -3.19 -0.11 0.00 0.04 0.00 0.00 34.50 31.26 2kui s PRO 472 CO 0.54 0.10 1.58 -2.14 0.04 0.00 0.00 177.00 177.12 2kui s PRO 473 N -1.20 4.18 0.00 0.56 0.02 -1.26 -4.85 135.00 132.45 2kui s PRO 473 Ca 0.47 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.95 2kui s PRO 473 Cb -0.33 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.10 2kui s PRO 473 CO 0.41 -0.61 0.46 0.00 -0.33 0.00 0.00 177.00 176.93 2kui n ALA 474 N 3.20 2.08 0.41 -1.55 0.00 -1.26 -1.40 120.51 121.99 2kui n ALA 474 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.60 2kui n ALA 474 Cb 0.38 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.79 2kui n ALA 474 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kui n ASN 475 N -0.06 0.57 -4.74 0.00 5.03 -1.25 -2.72 115.26 112.09 2kui n ASN 475 Ca 0.00 -0.78 -0.29 0.00 0.87 0.00 0.00 54.58 54.38 2kui n ASN 475 Cb 0.11 0.89 0.12 0.00 -1.02 0.00 0.00 39.78 39.89 2kui n ASN 475 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2kui s GLN 476 N -1.71 1.38 -0.31 3.52 -1.52 -0.49 -4.48 119.66 116.05 2kui s GLN 476 Ca 0.04 0.12 -0.09 0.00 -1.95 0.00 0.00 55.36 53.49 2kui s GLN 476 Cb 0.07 -1.88 -0.00 0.00 -0.22 0.00 0.00 33.01 30.97 2kui s GLN 476 CO 0.33 -2.00 0.13 0.99 -0.25 0.00 0.00 175.29 174.49 2kui s THR 477 N -3.47 4.43 -0.00 -0.19 2.01 -1.26 -0.71 115.64 116.45 2kui s THR 477 Ca 0.64 -0.48 0.05 0.00 0.31 0.00 0.00 61.69 62.21 2kui s THR 477 Cb -0.12 -3.26 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 2kui s THR 477 CO 0.51 0.08 -0.16 -0.44 -0.69 0.00 0.00 174.62 173.92 2kui s SER 478 N 1.58 3.92 0.90 3.53 0.01 0.14 -4.82 113.70 118.96 2kui s SER 478 Ca 0.04 -0.31 -0.12 0.00 1.31 0.00 0.00 55.95 56.88 2kui s SER 478 Cb -0.17 -0.73 0.13 0.00 0.21 0.00 0.00 66.02 65.46 2kui s SER 478 CO 0.05 0.30 1.10 0.00 0.41 0.00 0.00 173.24 175.10 2kui s ALA 479 N -0.83 1.62 -1.68 1.44 0.00 -1.26 -0.27 121.76 120.77 2kui s ALA 479 Ca 0.13 -0.22 0.17 0.00 0.00 0.00 0.00 51.96 52.04 2kui s ALA 479 Cb -0.11 -3.13 0.93 0.00 0.00 0.00 0.00 23.12 20.81 2kui s ALA 479 CO 0.03 -2.30 1.47 -0.89 0.00 0.00 0.00 175.76 174.07 2kui n ILE 480 N -3.82 0.29 0.11 0.00 2.08 -1.26 -1.47 119.36 115.28 2kui n ILE 480 Ca 0.07 0.07 0.05 0.00 0.56 0.00 0.00 62.75 63.49 2kui n ILE 480 Cb 0.56 -0.80 0.09 0.00 -0.75 0.00 0.00 39.64 38.74 2kui n ILE 480 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 2kui n THR 481 N -1.16 0.53 -2.71 1.39 5.66 -1.26 -3.95 114.28 112.78 2kui n THR 481 Ca 0.10 -0.76 -0.41 0.00 -3.05 0.00 0.00 64.05 59.92 2kui n THR 481 Cb 0.10 0.83 -0.04 0.00 -1.55 0.00 0.00 70.33 69.67 2kui n THR 481 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2kui s ASN 482 N -0.90 7.43 -0.23 1.09 -0.87 -0.54 -5.03 114.94 115.89 2kui s ASN 482 Ca 0.15 1.75 -0.07 0.00 -1.57 0.00 0.00 52.86 53.13 2kui s ASN 482 Cb 0.09 -2.58 -0.03 0.00 -0.02 0.00 0.00 41.25 38.71 2kui s ASN 482 CO 0.13 -0.16 0.05 -0.69 -2.57 0.00 0.00 177.10 173.86 2kui s VAL 483 N 0.43 4.25 -0.14 1.60 1.01 -1.26 -4.35 120.40 121.93 2kui s VAL 483 Ca 0.49 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.22 2kui s VAL 483 Cb -0.23 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2kui s VAL 483 CO 0.29 0.37 0.04 0.68 0.00 0.00 0.00 175.10 176.48 2kui s VAL 484 N 1.39 4.65 -0.21 2.92 -7.23 -0.69 -4.98 120.40 116.25 2kui s VAL 484 Ca 0.05 -0.10 -0.13 0.00 -1.81 0.00 0.00 61.98 59.99 2kui s VAL 484 Cb -0.15 -3.04 -0.04 0.00 0.56 0.00 0.00 36.38 33.71 2kui s VAL 484 CO 0.03 0.53 0.28 -0.51 -0.31 0.00 0.00 175.10 175.12 2kui s ILE 485 N -0.24 5.29 -0.12 -0.62 -1.16 -1.26 -1.01 121.20 122.08 2kui s ILE 485 Ca 0.07 0.45 0.03 0.00 -0.51 0.00 0.00 60.65 60.69 2kui s ILE 485 Cb -0.12 -3.61 0.00 0.00 0.61 0.00 0.00 42.46 39.34 2kui s ILE 485 CO 0.02 0.31 -0.22 -0.63 -2.81 0.00 0.00 174.94 171.61 2kui s ILE 486 N 1.06 2.12 -0.18 2.00 1.01 0.13 -1.87 121.20 125.47 2kui s ILE 486 Ca 0.14 -0.98 -0.05 0.00 0.00 0.00 0.00 60.65 59.76 2kui s ILE 486 Cb -0.14 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 2kui s ILE 486 CO 0.06 0.55 -0.01 -0.51 0.00 0.00 0.00 174.94 175.03 2kui s ILE 487 N 0.59 3.99 0.13 2.92 2.07 -0.64 0.08 121.20 130.33 2kui s ILE 487 Ca -0.12 -0.31 0.07 0.00 -1.41 0.00 0.00 60.65 58.87 2kui s ILE 487 Cb -0.17 -2.78 -0.04 0.00 0.13 0.00 0.00 42.46 39.60 2kui s ILE 487 CO 0.03 0.46 -0.04 0.68 -1.91 0.00 0.00 174.94 174.16 2kui s VAL 488 N 0.70 3.64 0.01 4.00 -7.23 0.73 -0.13 120.40 122.12 2kui s VAL 488 Ca -0.01 -1.27 -0.23 0.00 -1.81 0.00 0.00 61.98 58.66 2kui s VAL 488 Cb -0.14 -2.76 -0.05 0.00 0.56 0.00 0.00 36.38 33.99 2kui s VAL 488 CO 0.02 0.03 0.71 -0.83 -0.31 0.00 0.00 175.10 174.72 2kui s GLY 489 N -2.51 2.71 0.12 2.32 0.00 0.42 -1.95 107.32 108.44 2kui s GLY 489 Ca 0.25 0.19 0.02 0.00 0.00 0.00 0.00 44.72 45.18 2kui s GLY 489 CO 0.17 1.01 -0.05 -0.56 0.00 0.00 0.00 173.10 173.66 2kui s SER 490 N 0.04 1.24 0.00 1.64 0.01 0.50 -0.34 113.70 116.79 2kui s SER 490 Ca 0.36 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.58 2kui s SER 490 Cb -0.19 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.12 2kui s SER 490 CO 0.21 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.99 2kui n GLY 491 N -0.11 3.98 3.92 3.44 0.00 -1.26 -0.04 105.19 115.13 2kui n GLY 491 Ca -0.11 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 2kui n GLY 491 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kui s PRO 492 N -2.14 3.50 -0.40 1.61 0.04 -1.26 -4.89 135.00 131.46 2kui s PRO 492 Ca 0.00 -0.37 0.05 0.00 0.04 0.00 0.00 61.00 60.72 2kui s PRO 492 Cb 0.00 -2.91 0.49 0.00 0.04 0.00 0.00 34.50 32.12 2kui s PRO 492 CO 0.00 0.49 1.57 0.00 0.04 0.00 0.00 177.00 179.10 2kui n ALA 493 N -0.27 5.15 -2.46 8.56 0.00 -1.26 -4.98 120.51 125.23 2kui n ALA 493 Ca -0.05 -3.40 -0.29 0.00 0.00 0.00 0.00 53.44 49.70 2kui n ALA 493 Cb 0.53 -0.94 -0.12 0.00 0.00 0.00 0.00 19.45 18.92 2kui n ALA 493 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2kui s THR 494 N -4.03 2.70 0.15 0.00 -4.23 -1.26 -1.95 115.64 107.01 2kui s THR 494 Ca 0.53 -1.57 0.01 0.00 -1.18 0.00 0.00 61.69 59.47 2kui s THR 494 Cb 0.44 -2.23 -0.04 0.00 1.34 0.00 0.00 72.50 72.01 2kui s THR 494 CO 0.02 0.09 0.02 -0.54 -0.54 0.00 0.00 174.62 173.67 2kui s LYS 495 N -2.13 1.00 0.03 3.99 -0.14 0.13 -4.90 119.74 117.72 2kui s LYS 495 Ca 0.17 -1.47 -0.18 0.00 -1.36 0.00 0.00 55.97 53.12 2kui s LYS 495 Cb -0.10 -0.05 -0.06 0.00 -1.68 0.00 0.00 37.83 35.93 2kui s LYS 495 CO 0.09 -0.17 0.53 -0.51 -0.76 0.00 0.00 175.35 174.53 2kui s ASP 496 N -3.11 6.96 -0.22 2.83 1.11 -1.26 -0.58 116.67 122.40 2kui s ASP 496 Ca 0.22 1.14 -0.15 0.00 0.18 0.00 0.00 52.55 53.95 2kui s ASP 496 Cb 0.07 -2.33 -0.04 0.00 1.07 0.00 0.00 42.92 41.69 2kui s ASP 496 CO 0.02 0.24 0.35 0.27 1.18 0.00 0.00 175.17 177.23 2kui s ILE 497 N -0.81 5.22 0.65 0.77 -4.36 0.12 -4.96 121.20 117.84 2kui s ILE 497 Ca 0.28 0.60 -0.03 0.00 -0.26 0.00 0.00 60.65 61.24 2kui s ILE 497 Cb -0.18 -3.68 0.06 0.00 1.25 0.00 0.00 42.46 39.90 2kui s ILE 497 CO 0.17 0.26 0.92 -2.16 0.24 0.00 0.00 174.94 174.36 2kui s PRO 498 N 1.37 2.24 0.37 0.37 0.04 -1.26 -0.12 135.00 138.00 2kui s PRO 498 Ca 0.16 -0.59 -0.09 0.00 0.04 0.00 0.00 61.00 60.53 2kui s PRO 498 Cb -0.15 -2.32 -0.06 0.00 0.04 0.00 0.00 34.50 32.02 2kui s PRO 498 CO 0.08 -1.07 0.71 0.16 0.04 0.00 0.00 177.00 176.91 2kui s ASP 499 N -4.52 6.51 -0.25 6.66 -4.77 -1.26 -4.84 116.67 114.20 2kui s ASP 499 Ca 0.60 1.02 -0.02 0.00 -3.30 0.00 0.00 52.55 50.85 2kui s ASP 499 Cb -0.10 -2.27 0.12 0.00 -1.09 0.00 0.00 42.92 39.57 2kui s ASP 499 CO 0.42 -0.34 0.26 0.54 0.70 0.00 0.00 175.17 176.75 2kui s VAL 500 N -2.28 -0.35 -0.05 2.11 0.11 -1.26 -5.08 120.40 113.60 2kui s VAL 500 Ca 0.49 -0.35 -0.02 0.00 -2.93 0.00 0.00 61.98 59.17 2kui s VAL 500 Cb -0.10 -0.86 0.03 0.00 -1.53 0.00 0.00 36.38 33.92 2kui s VAL 500 CO 0.30 -0.38 0.08 0.00 -3.33 0.00 0.00 175.10 171.78 2kui s ALA 501 N 2.33 0.16 0.00 1.54 0.00 -1.26 -2.97 121.76 121.56 2kui s ALA 501 Ca 0.09 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.30 2kui s ALA 501 Cb -0.15 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.31 2kui s ALA 501 CO -0.25 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 175.41 2kui n GLY 502 N 5.30 1.52 4.01 0.00 0.00 -0.88 -5.02 105.19 110.12 2kui n GLY 502 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 2kui n GLY 502 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kui s GLN 503 N 0.00 2.71 0.39 1.61 -0.21 -1.26 -4.87 119.66 118.02 2kui s GLN 503 Ca 0.00 -1.23 -0.05 0.00 0.02 0.00 0.00 55.36 54.11 2kui s GLN 503 Cb 0.00 -2.71 -0.04 0.00 1.00 0.00 0.00 33.01 31.26 2kui s GLN 503 CO 0.00 -0.41 0.66 -0.08 -2.12 0.00 0.00 175.29 173.34 2kui s THR 504 N -2.45 4.97 0.28 -0.19 -1.32 -1.26 -0.38 115.64 115.29 2kui s THR 504 Ca 0.56 0.07 0.01 0.00 -1.21 0.00 0.00 61.69 61.12 2kui s THR 504 Cb -0.09 -3.81 0.27 0.00 -1.51 0.00 0.00 72.50 67.35 2kui s THR 504 CO 0.35 -0.59 1.79 1.62 -2.21 0.00 0.00 174.62 175.58 2kui h VAL 505 N 0.78 0.79 -0.74 5.08 3.04 -1.33 0.11 116.25 123.98 2kui h VAL 505 Ca -0.48 -0.27 -0.01 0.00 -1.01 0.00 0.00 66.70 64.93 2kui h VAL 505 Cb 1.20 -0.06 -0.03 0.00 -2.01 0.00 0.00 31.29 30.39 2kui h VAL 505 CO 0.63 0.14 0.41 -0.78 -1.01 0.00 0.00 177.57 176.96 2kui h ASP 506 N 0.78 0.92 -0.27 3.17 3.58 -1.94 0.04 116.42 122.71 2kui h ASP 506 Ca 0.50 -0.09 -0.10 0.00 0.42 0.00 0.00 57.03 57.75 2kui h ASP 506 Cb 0.66 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.47 2kui h ASP 506 CO -0.33 0.75 -0.24 0.58 -2.88 0.00 0.00 179.24 177.12 2kui h VAL 507 N 1.02 1.31 -0.05 2.25 2.07 -1.64 -2.28 116.25 118.94 2kui h VAL 507 Ca 0.26 -1.39 -0.00 0.00 0.82 0.00 0.00 66.70 66.39 2kui h VAL 507 Cb 0.03 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2kui h VAL 507 CO -0.04 0.44 0.03 0.00 0.02 0.00 0.00 177.57 178.01 2kui h ALA 508 N 0.70 0.06 -0.66 1.67 0.00 -0.43 -1.33 119.26 119.27 2kui h ALA 508 Ca 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2kui h ALA 508 Cb 0.79 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2kui h ALA 508 CO 0.06 -0.41 0.24 1.96 0.00 0.00 0.00 179.25 181.10 2kui h GLN 509 N 0.00 0.98 -0.65 0.00 4.20 -1.01 -1.40 115.11 117.23 2kui h GLN 509 Ca 0.02 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 2kui h GLN 509 Cb 0.06 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 2kui h GLN 509 CO -0.00 0.81 0.30 -0.22 -0.67 0.00 0.00 178.83 179.05 2kui h LYS 510 N 0.96 0.95 -0.14 1.46 3.64 -1.15 0.70 116.57 123.00 2kui h LYS 510 Ca 0.22 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2kui h LYS 510 Cb 0.21 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2kui h LYS 510 CO -0.02 0.76 0.06 -0.91 -2.27 0.00 0.00 179.45 177.08 2kui h ASN 511 N 0.91 0.18 -0.61 4.20 2.35 -0.62 -2.45 115.58 119.54 2kui h ASN 511 Ca 0.22 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2kui h ASN 511 Cb 0.14 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 2kui h ASN 511 CO -0.03 0.27 0.36 -0.07 -1.65 0.00 0.00 177.43 176.31 2kui h LEU 512 N 0.08 0.75 -1.24 1.61 -0.00 -0.93 -1.55 115.31 114.02 2kui h LEU 512 Ca 0.05 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2kui h LEU 512 Cb 0.15 -0.19 -0.04 0.00 -0.00 0.00 0.00 40.66 40.58 2kui h LEU 512 CO -0.00 0.59 0.46 0.78 -0.00 0.00 0.00 178.44 180.27 2kui h ASN 513 N 0.86 0.86 -0.56 -0.43 -0.26 -0.65 -1.11 115.58 114.28 2kui h ASN 513 Ca 0.22 -0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 55.91 2kui h ASN 513 Cb -0.00 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.01 2kui h ASN 513 CO -0.04 0.64 0.30 0.58 -1.06 0.00 0.00 177.43 177.85 2kui h VAL 514 N 1.00 1.19 0.00 2.81 2.07 -0.81 -1.62 116.25 120.89 2kui h VAL 514 Ca 0.27 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2kui h VAL 514 Cb -0.08 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 2kui h VAL 514 CO -0.05 0.21 0.00 1.88 0.02 0.00 0.00 177.57 179.63 2kui h TYR 515 N 0.82 0.00 0.00 1.57 0.05 -1.03 -3.46 116.97 114.92 2kui h TYR 515 Ca 0.21 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.99 2kui h TYR 515 Cb 0.06 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.80 2kui h TYR 515 CO 0.01 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.53 2kui n GLY 516 N 0.84 0.81 3.62 3.88 0.00 -0.61 -4.98 105.19 108.76 2kui n GLY 516 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 2kui n GLY 516 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kui s PHE 517 N -2.00 3.01 -0.20 1.61 0.08 -0.61 -4.52 117.98 115.35 2kui s PHE 517 Ca 0.00 1.00 0.04 0.00 0.12 0.00 0.00 56.93 58.08 2kui s PHE 517 Cb 0.00 -3.99 -0.03 0.00 -0.57 0.00 0.00 43.02 38.42 2kui s PHE 517 CO 0.00 -0.97 0.20 2.41 -0.10 0.00 0.00 175.22 176.76 2kui n THR 518 N 6.27 0.00 -3.85 0.64 -1.04 -1.19 -3.19 114.28 111.91 2kui n THR 518 Ca 0.12 -0.43 -0.36 0.00 -2.04 0.00 0.00 64.05 61.35 2kui n THR 518 Cb 0.48 1.01 -0.13 0.00 -1.82 0.00 0.00 70.33 69.87 2kui n THR 518 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2kui s LYS 519 N -1.22 3.56 0.21 -2.82 1.02 -1.25 -5.07 119.74 114.17 2kui s LYS 519 Ca 0.02 -0.53 0.11 0.00 0.02 0.00 0.00 55.97 55.59 2kui s LYS 519 Cb 0.03 -3.19 -0.05 0.00 -0.52 0.00 0.00 37.83 34.11 2kui s LYS 519 CO 0.13 -0.16 -0.22 -0.06 -0.92 0.00 0.00 175.35 174.13 2kui s PHE 520 N 1.47 2.21 -0.03 3.18 0.08 -1.26 -1.39 117.98 122.23 2kui s PHE 520 Ca 0.05 -0.37 -0.02 0.00 0.12 0.00 0.00 56.93 56.71 2kui s PHE 520 Cb -0.15 -1.06 0.01 0.00 -0.57 0.00 0.00 43.02 41.26 2kui s PHE 520 CO 0.01 0.53 0.07 -1.12 -0.10 0.00 0.00 175.22 174.61 2kui s SER 521 N -2.91 -0.06 0.00 1.36 0.01 -0.79 -4.89 113.70 106.42 2kui s SER 521 Ca 0.22 0.14 0.08 0.00 1.31 0.00 0.00 55.95 57.70 2kui s SER 521 Cb -0.07 0.13 -0.02 0.00 0.21 0.00 0.00 66.02 66.27 2kui s SER 521 CO 0.11 -0.04 -0.24 0.00 0.41 0.00 0.00 173.24 173.48 2kui s GLN 522 N 0.20 1.85 -0.16 12.44 1.03 -1.26 -0.31 119.66 133.46 2kui s GLN 522 Ca -0.01 -0.91 0.02 0.00 0.04 0.00 0.00 55.36 54.49 2kui s GLN 522 Cb -0.02 -1.86 0.01 0.00 0.03 0.00 0.00 33.01 31.18 2kui s GLN 522 CO -0.01 0.50 -0.21 0.00 -2.54 0.00 0.00 175.29 173.04 2kui s ALA 523 N -0.63 2.30 -0.12 2.60 0.00 0.10 -4.95 121.76 121.05 2kui s ALA 523 Ca 0.10 -1.15 -0.21 0.00 0.00 0.00 0.00 51.96 50.69 2kui s ALA 523 Cb -0.09 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.90 2kui s ALA 523 CO -0.00 -0.18 0.62 -1.12 0.00 0.00 0.00 175.76 175.07 2kui s SER 524 N 1.04 6.81 0.12 0.00 0.01 -1.26 -0.06 113.70 120.37 2kui s SER 524 Ca -0.01 0.97 0.10 0.00 1.31 0.00 0.00 55.95 58.32 2kui s SER 524 Cb -0.14 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 2kui s SER 524 CO -0.07 -0.13 -0.25 0.68 0.41 0.00 0.00 173.24 173.88 2kui s VAL 525 N 1.09 2.10 0.17 3.43 -7.23 0.11 -4.92 120.40 115.15 2kui s VAL 525 Ca 0.32 -1.69 -0.30 0.00 -1.81 0.00 0.00 61.98 58.50 2kui s VAL 525 Cb -0.16 -1.87 -0.08 0.00 0.56 0.00 0.00 36.38 34.83 2kui s VAL 525 CO 0.13 0.06 1.16 1.51 -0.31 0.00 0.00 175.10 177.65 2kui s ASP 526 N -1.99 7.16 0.28 4.85 -4.77 -1.26 0.18 116.67 121.12 2kui s ASP 526 Ca 0.12 2.16 -0.11 0.00 -3.30 0.00 0.00 52.55 51.42 2kui s ASP 526 Cb -0.10 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.13 2kui s ASP 526 CO 0.05 -0.32 0.52 -0.44 0.70 0.00 0.00 175.17 175.68 2kui s SER 527 N 0.09 0.11 0.01 2.11 0.01 -0.44 -4.82 113.70 110.79 2kui s SER 527 Ca 0.52 -1.05 0.28 0.00 1.31 0.00 0.00 55.95 57.01 2kui s SER 527 Cb -0.31 0.63 1.02 0.00 0.21 0.00 0.00 66.02 67.57 2kui s SER 527 CO 0.35 -1.23 1.78 -0.81 0.41 0.00 0.00 173.24 173.74 2kui n PRO 528 N -0.44 0.02 -2.82 12.44 -0.04 -1.26 -4.14 135.00 138.77 2kui n PRO 528 Ca -0.02 0.01 -0.40 0.00 -0.04 0.00 0.00 63.50 63.05 2kui n PRO 528 Cb 0.61 -1.52 -0.06 0.00 -0.04 0.00 0.00 33.50 32.50 2kui n PRO 528 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kui s ARG 529 N -3.01 4.72 0.61 0.54 1.81 -1.26 -4.94 118.95 117.42 2kui s ARG 529 Ca 0.13 1.37 -0.19 0.00 -1.72 0.00 0.00 55.73 55.32 2kui s ARG 529 Cb 0.18 -3.31 -0.03 0.00 -0.45 0.00 0.00 34.95 31.35 2kui s ARG 529 CO 0.58 0.44 1.26 -1.25 -0.68 0.00 0.00 175.30 175.65 2kui s PRO 530 N -0.78 2.79 -0.04 3.54 0.04 -1.26 -3.05 135.00 136.24 2kui s PRO 530 Ca 0.41 1.98 -0.31 0.00 0.04 0.00 0.00 61.00 63.12 2kui s PRO 530 Cb -0.24 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.29 2kui s PRO 530 CO 0.29 -1.39 2.00 0.00 0.04 0.00 0.00 177.00 177.94 2kui n ALA 531 N -1.68 1.44 0.00 8.56 0.00 -1.25 -1.93 120.51 125.65 2kui n ALA 531 Ca 0.14 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2kui n ALA 531 Cb 0.48 -2.68 0.00 0.00 0.00 0.00 0.00 19.45 17.26 2kui n ALA 531 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kui n GLY 532 N 4.76 1.41 3.73 0.00 0.00 -1.10 -4.91 105.19 109.08 2kui n GLY 532 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 2kui n GLY 532 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kui s GLU 533 N 0.00 4.66 0.11 1.61 2.12 -0.81 -0.86 118.70 125.53 2kui s GLU 533 Ca 0.00 1.36 -0.29 0.00 0.36 0.00 0.00 54.97 56.40 2kui s GLU 533 Cb 0.00 -3.37 -0.06 0.00 0.26 0.00 0.00 34.13 30.96 2kui s GLU 533 CO 0.00 0.25 0.92 0.54 -0.54 0.00 0.00 175.26 176.43 2kui s VAL 534 N -0.09 4.50 -0.04 3.70 0.11 0.49 -0.86 120.40 128.21 2kui s VAL 534 Ca 0.45 1.99 0.06 0.00 -2.93 0.00 0.00 61.98 61.54 2kui s VAL 534 Cb -0.23 -4.28 -0.24 0.00 -1.53 0.00 0.00 36.38 30.10 2kui s VAL 534 CO 0.28 0.35 0.66 0.74 -3.33 0.00 0.00 175.10 173.80 2kui h THR 535 N 3.95 0.88 0.00 5.04 2.02 -0.86 -2.33 112.91 121.62 2kui h THR 535 Ca -0.43 -2.68 0.00 0.00 0.77 0.00 0.00 66.41 64.07 2kui h THR 535 Cb 1.21 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 70.12 2kui h THR 535 CO 0.71 0.64 0.00 0.61 0.37 0.00 0.00 175.52 177.85 2kui n GLY 536 N 1.65 0.25 3.51 2.16 0.00 -0.90 -4.53 105.19 107.33 2kui n GLY 536 Ca -0.19 -1.32 -0.25 0.00 0.00 0.00 0.00 46.02 44.26 2kui n GLY 536 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kui s THR 537 N -3.79 2.77 -0.06 2.61 -4.23 -1.26 -0.08 115.64 111.60 2kui s THR 537 Ca 0.00 -2.06 -0.27 0.00 -1.18 0.00 0.00 61.69 58.19 2kui s THR 537 Cb 0.00 -2.41 -0.22 0.00 1.34 0.00 0.00 72.50 71.21 2kui s THR 537 CO 0.00 -0.25 1.10 -1.13 -0.54 0.00 0.00 174.62 173.80 2kui h ASN 538 N 2.60 -0.00 -4.03 3.99 -1.24 -1.27 -3.44 115.58 112.19 2kui h ASN 538 Ca -0.44 -0.65 -0.52 0.00 0.71 0.00 0.00 56.30 55.40 2kui h ASN 538 Cb 1.23 0.00 0.09 0.00 0.73 0.00 0.00 38.32 40.37 2kui h ASN 538 CO 0.55 0.65 0.51 -2.16 -1.29 0.00 0.00 177.43 175.70 2kui s PRO 539 N -3.59 3.51 0.40 6.67 0.04 -1.26 -4.98 135.00 135.79 2kui s PRO 539 Ca -0.17 1.88 -0.25 0.00 0.04 0.00 0.00 61.00 62.50 2kui s PRO 539 Cb 0.00 -2.30 -0.08 0.00 0.04 0.00 0.00 34.50 32.15 2kui s PRO 539 CO 0.68 -0.78 1.20 -1.25 0.04 0.00 0.00 177.00 176.88 2kui s PRO 540 N -2.84 4.03 0.21 0.56 0.04 -1.26 -4.97 135.00 130.76 2kui s PRO 540 Ca 0.67 1.91 -0.30 0.00 0.04 0.00 0.00 61.00 63.31 2kui s PRO 540 Cb -0.31 -2.69 -0.09 0.00 0.04 0.00 0.00 34.50 31.44 2kui s PRO 540 CO 0.37 -0.36 1.41 0.00 0.04 0.00 0.00 177.00 178.46 2kui s ALA 541 N -1.38 3.62 0.00 8.56 0.00 -1.26 -2.31 121.76 128.98 2kui s ALA 541 Ca 0.57 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.78 2kui s ALA 541 Cb -0.32 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.26 2kui s ALA 541 CO 0.41 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.90 2kui n GLY 542 N 2.63 0.62 3.73 0.00 0.00 0.83 -4.96 105.19 108.03 2kui n GLY 542 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2kui n GLY 542 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kui s THR 543 N -2.00 4.67 -0.16 2.61 2.01 -0.98 -4.81 115.64 116.99 2kui s THR 543 Ca 0.00 1.86 -0.13 0.00 0.31 0.00 0.00 61.69 63.73 2kui s THR 543 Cb 0.00 -4.22 -0.05 0.00 0.01 0.00 0.00 72.50 68.24 2kui s THR 543 CO 0.00 0.31 0.28 0.28 -0.69 0.00 0.00 174.62 174.80 2kui s THR 544 N 0.16 5.31 0.05 -0.82 -1.32 -1.26 -0.70 115.64 117.06 2kui s THR 544 Ca 0.44 0.52 -0.01 0.00 -1.21 0.00 0.00 61.69 61.44 2kui s THR 544 Cb -0.22 -3.62 -0.04 0.00 -1.51 0.00 0.00 72.50 67.12 2kui s THR 544 CO 0.26 0.41 -0.03 0.68 -2.21 0.00 0.00 174.62 173.72 2kui s VAL 545 N 0.35 0.28 0.41 5.08 -7.23 0.25 -4.91 120.40 114.62 2kui s VAL 545 Ca 0.16 -1.76 -0.26 0.00 -1.81 0.00 0.00 61.98 58.31 2kui s VAL 545 Cb -0.13 -1.45 -0.09 0.00 0.56 0.00 0.00 36.38 35.27 2kui s VAL 545 CO 0.04 -0.95 1.37 -2.84 -0.31 0.00 0.00 175.10 172.41 2kui s PRO 546 N -3.72 3.94 0.53 4.82 0.02 -1.26 -0.69 135.00 138.63 2kui s PRO 546 Ca 0.06 2.31 0.30 0.00 0.02 0.00 0.00 61.00 63.69 2kui s PRO 546 Cb 0.06 -2.79 1.43 0.00 0.02 0.00 0.00 34.50 33.23 2kui s PRO 546 CO -0.09 -0.58 2.04 -0.39 -0.33 0.00 0.00 177.00 177.66 2kui h VAL 547 N 2.54 0.40 0.00 3.83 -1.51 -1.70 -1.56 116.25 118.25 2kui h VAL 547 Ca -0.50 -0.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.37 2kui h VAL 547 Cb 1.25 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 31.84 2kui h VAL 547 CO 0.63 0.11 0.00 -0.67 -1.23 0.00 0.00 177.57 176.40 2kui n ASP 548 N -3.42 0.58 -4.84 4.19 -0.08 -1.26 -3.20 116.55 108.52 2kui n ASP 548 Ca -0.01 0.56 -0.30 0.00 -1.51 0.00 0.00 54.79 53.53 2kui n ASP 548 Cb 0.27 -0.71 0.07 0.00 2.34 0.00 0.00 41.12 43.09 2kui n ASP 548 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2kui s SER 549 N -4.09 4.91 -0.09 1.67 0.01 -0.59 -4.67 113.70 110.85 2kui s SER 549 Ca 0.11 1.20 -0.19 0.00 1.31 0.00 0.00 55.95 58.38 2kui s SER 549 Cb 0.14 -1.95 -0.04 0.00 0.21 0.00 0.00 66.02 64.38 2kui s SER 549 CO 0.57 -1.69 0.52 -0.69 0.41 0.00 0.00 173.24 172.36 2kui s VAL 550 N -3.27 5.12 -0.00 3.43 1.01 -1.26 -3.90 120.40 121.53 2kui s VAL 550 Ca 0.60 1.04 0.06 0.00 0.00 0.00 0.00 61.98 63.68 2kui s VAL 550 Cb -0.13 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 2kui s VAL 550 CO 0.53 0.35 -0.19 0.27 0.00 0.00 0.00 175.10 176.06 2kui s ILE 551 N 0.41 2.69 -0.30 2.22 -0.00 -0.49 -5.00 121.20 120.73 2kui s ILE 551 Ca 0.28 -1.03 -0.10 0.00 -0.00 0.00 0.00 60.65 59.80 2kui s ILE 551 Cb -0.16 -2.07 -0.02 0.00 -0.00 0.00 0.00 42.46 40.22 2kui s ILE 551 CO 0.12 0.47 0.15 -0.70 -0.00 0.00 0.00 174.94 174.99 2kui s GLU 552 N -1.03 3.46 -0.15 0.37 2.12 -1.26 -1.89 118.70 120.32 2kui s GLU 552 Ca 0.12 -0.64 -0.06 0.00 0.36 0.00 0.00 54.97 54.75 2kui s GLU 552 Cb -0.10 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.69 2kui s GLU 552 CO 0.02 -0.36 0.07 -0.51 -0.54 0.00 0.00 175.26 173.94 2kui s LEU 553 N 1.64 3.93 -0.23 2.70 1.02 0.58 -0.73 118.68 127.58 2kui s LEU 553 Ca 0.05 0.20 -0.10 0.00 0.02 0.00 0.00 54.13 54.30 2kui s LEU 553 Cb -0.17 -1.97 -0.05 0.00 0.02 0.00 0.00 46.19 44.03 2kui s LEU 553 CO 0.07 0.27 0.13 0.00 0.02 0.00 0.00 176.35 176.84 2kui s GLN 554 N -0.22 4.01 -0.06 1.70 -2.07 0.88 -0.72 119.66 123.18 2kui s GLN 554 Ca 0.08 -0.30 0.04 0.00 -1.82 0.00 0.00 55.36 53.35 2kui s GLN 554 Cb -0.12 -3.46 -0.02 0.00 -1.09 0.00 0.00 33.01 28.32 2kui s GLN 554 CO 0.01 0.07 -0.15 0.08 -1.32 0.00 0.00 175.29 173.98 2kui s VAL 555 N 0.99 2.95 0.33 3.63 1.01 0.92 -0.31 120.40 129.92 2kui s VAL 555 Ca 0.07 -0.76 -0.28 0.00 0.00 0.00 0.00 61.98 61.00 2kui s VAL 555 Cb -0.13 -2.15 -0.10 0.00 0.00 0.00 0.00 36.38 33.99 2kui s VAL 555 CO 0.04 0.58 1.23 -0.44 0.00 0.00 0.00 175.10 176.51 2kui s SER 556 N -0.57 6.86 -0.11 3.32 0.01 -0.04 -0.71 113.70 122.47 2kui s SER 556 Ca 0.08 2.53 -0.05 0.00 1.31 0.00 0.00 55.95 59.83 2kui s SER 556 Cb -0.11 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.44 2kui s SER 556 CO 0.01 -0.45 0.07 -0.75 0.41 0.00 0.00 173.24 172.53 2kui s LYS 557 N -1.77 3.24 0.23 12.44 2.20 0.13 -2.71 119.74 133.50 2kui s LYS 557 Ca 0.49 -0.26 -0.02 0.00 -0.36 0.00 0.00 55.97 55.82 2kui s LYS 557 Cb -0.36 -3.01 0.26 0.00 -1.51 0.00 0.00 37.83 33.20 2kui s LYS 557 CO 0.48 0.73 1.66 0.78 -0.36 0.00 0.00 175.35 178.64 2kui h GLY 558 N 5.10 0.73 0.00 5.54 0.00 -1.75 -1.15 103.07 111.54 2kui h GLY 558 Ca -0.53 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.18 2kui h GLY 558 CO 0.57 0.57 0.00 -2.01 0.00 0.00 0.00 176.54 175.66 2kui n ASN 559 N -4.11 0.00 -3.73 0.19 5.15 -1.26 -4.52 115.26 106.98 2kui n ASN 559 Ca -0.00 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.85 2kui n ASN 559 Cb 0.43 -1.34 -0.10 0.00 -0.53 0.00 0.00 39.78 38.24 2kui n ASN 559 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 2kui s GLN 560 N -0.39 0.53 -0.02 1.20 2.00 -1.26 -0.96 119.66 120.76 2kui s GLN 560 Ca 0.00 0.43 0.01 0.00 -2.00 0.00 0.00 55.36 53.80 2kui s GLN 560 Cb 0.00 0.25 0.01 0.00 0.80 0.00 0.00 33.01 34.07 2kui s GLN 560 CO 0.00 -0.09 -0.04 -0.59 -0.50 0.00 0.00 175.29 174.08 2kui s PHE 561 N -0.10 0.48 0.09 1.67 -0.71 0.32 -4.89 117.98 114.84 2kui s PHE 561 Ca -0.03 -0.09 -0.31 0.00 -1.04 0.00 0.00 56.93 55.47 2kui s PHE 561 Cb -0.03 -0.41 -0.10 0.00 -1.21 0.00 0.00 43.02 41.27 2kui s PHE 561 CO 0.02 -0.08 1.89 0.54 -1.34 0.00 0.00 175.22 176.24 2kui s VAL 562 N 0.42 2.70 -0.06 -2.49 0.11 -1.26 -0.09 120.40 119.73 2kui s VAL 562 Ca -0.05 0.03 -0.08 0.00 -2.93 0.00 0.00 61.98 58.95 2kui s VAL 562 Cb -0.08 -3.02 -0.04 0.00 -1.53 0.00 0.00 36.38 31.71 2kui s VAL 562 CO -0.00 -0.00 0.22 0.00 -3.33 0.00 0.00 175.10 171.99 2kui s MET 563 N 3.40 3.57 0.92 1.54 0.23 0.56 -4.88 119.30 124.64 2kui s MET 563 Ca 0.84 -0.01 -0.12 0.00 -1.03 0.00 0.00 55.69 55.36 2kui s MET 563 Cb -0.45 -3.17 0.14 0.00 -1.53 0.00 0.00 34.83 29.82 2kui s MET 563 CO 0.38 0.73 1.13 -2.14 -2.03 0.00 0.00 175.02 173.10 2kui s PRO 564 N -1.23 1.07 0.09 3.16 0.02 -1.26 -1.42 135.00 135.43 2kui s PRO 564 Ca 0.20 0.32 -0.31 0.00 0.02 0.00 0.00 61.00 61.23 2kui s PRO 564 Cb -0.13 -1.83 -0.07 0.00 0.02 0.00 0.00 34.50 32.49 2kui s PRO 564 CO 0.09 -2.25 1.26 0.16 -0.33 0.00 0.00 177.00 175.92 2kui s ASP 565 N -3.96 7.00 0.00 2.53 -4.77 -1.26 -4.72 116.67 111.50 2kui s ASP 565 Ca 0.64 2.13 0.04 0.00 -3.30 0.00 0.00 52.55 52.05 2kui s ASP 565 Cb -0.15 -2.58 -0.04 0.00 -1.09 0.00 0.00 42.92 39.06 2kui s ASP 565 CO 0.54 -0.52 0.16 0.18 0.70 0.00 0.00 175.17 176.24 2kui n LEU 566 N 3.81 0.20 -4.71 2.11 4.77 -1.26 -4.93 117.00 116.97 2kui n LEU 566 Ca 0.09 -0.51 -0.42 0.00 -0.03 0.00 0.00 56.01 55.14 2kui n LEU 566 Cb 0.45 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 2kui n LEU 566 CO 0.56 0.05 1.02 -0.94 -1.33 0.00 0.00 177.39 176.75 2kui s SER 567 N -1.32 6.89 0.00 -1.43 1.04 -1.26 -1.99 113.70 115.62 2kui s SER 567 Ca 0.01 2.25 0.00 0.00 0.48 0.00 0.00 55.95 58.69 2kui s SER 567 Cb 0.03 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2kui s SER 567 CO 0.15 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.37 2kui n GLY 568 N 3.43 0.76 3.88 7.32 0.00 -0.97 -5.02 105.19 114.59 2kui n GLY 568 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 2kui n GLY 568 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2kui s MET 569 N -0.52 3.75 0.02 1.61 1.00 -0.84 -4.86 119.30 119.46 2kui s MET 569 Ca 0.00 0.20 -0.14 0.00 0.00 0.00 0.00 55.69 55.74 2kui s MET 569 Cb 0.00 -2.65 -0.06 0.00 0.00 0.00 0.00 34.83 32.12 2kui s MET 569 CO 0.00 0.29 0.41 -0.06 0.00 0.00 0.00 175.02 175.66 2kui s PHE 570 N -1.89 3.71 -0.42 -0.03 0.08 -1.26 -0.38 117.98 117.80 2kui s PHE 570 Ca 0.46 0.97 0.26 0.00 0.12 0.00 0.00 56.93 58.74 2kui s PHE 570 Cb -0.11 -2.28 1.01 0.00 -0.57 0.00 0.00 43.02 41.07 2kui s PHE 570 CO 0.24 0.62 1.76 2.35 -0.10 0.00 0.00 175.22 180.09 2kui h TRP 571 N 4.54 0.00 0.00 0.36 2.91 -0.27 0.10 115.95 123.59 2kui h TRP 571 Ca -0.51 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.51 2kui h TRP 571 Cb 1.22 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.87 2kui h TRP 571 CO 0.70 0.00 0.00 -0.24 -1.03 0.00 0.00 178.44 177.87 2kui h VAL 572 N 0.00 0.00 0.00 2.65 3.04 -1.93 -0.22 116.25 119.79 2kui h VAL 572 Ca 0.00 -0.57 -0.38 0.00 -1.01 0.00 0.00 66.70 64.74 2kui h VAL 572 Cb 0.45 1.55 -0.06 0.00 -2.01 0.00 0.00 31.29 31.21 2kui h VAL 572 CO 0.00 0.00 -2.35 -0.67 -1.01 0.00 0.00 177.57 173.54 2kui n ASP 573 N -2.98 1.98 -0.20 3.17 2.03 -0.44 -4.53 116.55 115.57 2kui n ASP 573 Ca 0.02 0.08 -0.09 0.00 0.52 0.00 0.00 54.79 55.32 2kui n ASP 573 Cb 0.34 -0.54 0.02 0.00 -0.72 0.00 0.00 41.12 40.23 2kui n ASP 573 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kui h ALA 574 N -0.42 0.77 0.26 -1.67 0.00 -0.79 -2.85 119.26 114.56 2kui h ALA 574 Ca -0.57 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.06 2kui h ALA 574 Cb 1.68 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2kui h ALA 574 CO -0.22 0.54 -0.13 1.49 0.00 0.00 0.00 179.25 180.93 2kui h GLU 575 N 0.86 -0.34 -0.96 0.00 4.81 -1.28 -2.31 114.58 115.35 2kui h GLU 575 Ca 0.17 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.52 2kui h GLU 575 Cb 0.45 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.83 2kui h GLU 575 CO 0.02 -0.05 0.62 -1.35 -0.73 0.00 0.00 179.01 177.52 2kui h PRO 576 N -0.63 0.98 -0.37 0.92 0.11 -1.77 -1.57 132.00 129.67 2kui h PRO 576 Ca -0.04 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.90 2kui h PRO 576 Cb 0.45 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 2kui h PRO 576 CO 0.06 0.65 -0.23 0.07 -0.21 0.00 0.00 178.00 178.34 2kui h ARG 577 N 1.01 0.74 -0.38 1.05 -0.00 -1.49 -2.56 114.38 112.75 2kui h ARG 577 Ca 0.45 -0.30 -0.09 0.00 -0.00 0.00 0.00 59.98 60.04 2kui h ARG 577 Cb 0.37 -0.03 -0.02 0.00 -0.00 0.00 0.00 29.97 30.29 2kui h ARG 577 CO -0.21 0.90 -0.14 1.37 -0.00 0.00 0.00 179.97 181.89 2kui h LEU 578 N 0.64 0.68 -0.77 0.08 8.10 -0.73 -1.98 115.31 121.34 2kui h LEU 578 Ca 0.09 -0.21 0.06 0.00 0.11 0.00 0.00 57.88 57.93 2kui h LEU 578 Cb 0.73 -0.18 -0.06 0.00 -0.44 0.00 0.00 40.66 40.71 2kui h LEU 578 CO 0.06 0.84 0.46 0.03 -4.11 0.00 0.00 178.44 175.72 2kui h ARG 579 N 0.62 0.83 0.00 0.17 2.47 -1.14 -1.63 114.38 115.71 2kui h ARG 579 Ca 0.10 -0.05 -0.07 0.00 -1.26 0.00 0.00 59.98 58.71 2kui h ARG 579 Cb 0.60 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.72 2kui h ARG 579 CO 0.04 0.55 -0.31 0.00 0.56 0.00 0.00 179.97 180.80 2kui h ALA 580 N 1.37 1.29 -0.00 0.04 0.00 -0.97 -1.77 119.26 119.21 2kui h ALA 580 Ca 0.34 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kui h ALA 580 Cb 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2kui h ALA 580 CO -0.17 0.39 -0.02 1.28 0.00 0.00 0.00 179.25 180.73 2kui n LEU 581 N -3.88 0.04 -0.11 0.00 4.32 -0.68 -4.88 117.00 111.80 2kui n LEU 581 Ca -0.02 0.38 -0.01 0.00 -0.02 0.00 0.00 56.01 56.34 2kui n LEU 581 Cb 0.39 -0.39 -0.01 0.00 -1.62 0.00 0.00 43.42 41.79 2kui n LEU 581 CO 0.36 0.01 -0.01 0.61 -1.22 0.00 0.00 177.39 177.14 2kui n GLY 582 N 1.41 0.52 3.76 -0.72 0.00 -0.67 -4.99 105.19 104.50 2kui n GLY 582 Ca 0.10 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 2kui n GLY 582 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2kui s TRP 583 N -2.01 3.30 0.00 1.61 -0.00 -0.79 -4.89 118.94 116.16 2kui s TRP 583 Ca 0.00 1.56 0.00 0.00 -0.00 0.00 0.00 56.10 57.66 2kui s TRP 583 Cb 0.00 -3.46 0.00 0.00 -0.00 0.00 0.00 33.47 30.01 2kui s TRP 583 CO 0.00 -1.18 0.00 -2.37 -0.00 0.00 0.00 176.95 173.40 2kui n THR 584 N 0.90 0.00 0.00 5.86 5.66 -1.26 -4.65 114.28 120.79 2kui n THR 584 Ca -0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2kui n THR 584 Cb 0.44 -0.64 0.00 0.00 -1.55 0.00 0.00 70.33 68.58 2kui n THR 584 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kui n GLY 585 N 1.71 1.28 2.77 1.09 0.00 -1.26 -4.29 105.19 106.50 2kui n GLY 585 Ca 0.00 0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 2kui n GLY 585 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2kui s MET 586 N 0.00 0.26 -0.18 1.61 0.23 -1.26 -5.12 119.30 114.84 2kui s MET 586 Ca 0.00 0.16 -0.22 0.00 -1.03 0.00 0.00 55.69 54.59 2kui s MET 586 Cb 0.00 -0.58 -0.02 0.00 -1.53 0.00 0.00 34.83 32.70 2kui s MET 586 CO 0.00 -0.22 0.70 -1.17 -2.03 0.00 0.00 175.02 172.31 2kui s LEU 587 N 1.48 4.16 -0.47 0.18 1.98 -1.26 -4.67 118.68 120.09 2kui s LEU 587 Ca -0.03 0.97 -0.18 0.00 -2.89 0.00 0.00 54.13 51.99 2kui s LEU 587 Cb -0.13 -3.02 0.05 0.00 0.66 0.00 0.00 46.19 43.75 2kui s LEU 587 CO -0.03 -0.31 0.52 -0.62 -1.89 0.00 0.00 176.35 174.02 2kui s ASP 588 N 1.16 6.21 -0.28 3.68 -1.08 -1.26 -5.01 116.67 120.08 2kui s ASP 588 Ca 0.32 -0.86 -0.04 0.00 -0.52 0.00 0.00 52.55 51.45 2kui s ASP 588 Cb -0.16 -2.25 0.03 0.00 -1.46 0.00 0.00 42.92 39.08 2kui s ASP 588 CO 0.11 -0.73 0.01 -0.75 0.52 0.00 0.00 175.17 174.33 2kui s LYS 589 N 2.30 2.79 0.00 4.34 2.47 -1.26 -4.45 119.74 125.92 2kui s LYS 589 Ca 0.13 -1.03 0.00 0.00 -1.56 0.00 0.00 55.97 53.50 2kui s LYS 589 Cb -0.19 -3.19 0.00 0.00 -1.46 0.00 0.00 37.83 32.99 2kui s LYS 589 CO 0.12 -0.49 0.00 0.41 0.16 0.00 0.00 175.35 175.55 2kui n GLY 590 N 4.73 0.81 3.75 5.54 0.00 -1.26 -4.98 105.19 113.79 2kui n GLY 590 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 2kui n GLY 590 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kui s ALA 591 N -3.84 3.46 -0.21 4.61 0.00 -1.26 -5.01 121.76 119.53 2kui s ALA 591 Ca 0.00 1.05 -0.13 0.00 0.00 0.00 0.00 51.96 52.88 2kui s ALA 591 Cb 0.00 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 2kui s ALA 591 CO 0.00 -0.41 0.26 0.34 0.00 0.00 0.00 175.76 175.94 2kui s ASP 592 N -0.30 6.29 -0.03 0.00 -1.08 -1.26 -4.79 116.67 115.50 2kui s ASP 592 Ca 0.50 0.33 0.00 0.00 -0.52 0.00 0.00 52.55 52.87 2kui s ASP 592 Cb -0.35 -2.16 0.03 0.00 -1.46 0.00 0.00 42.92 38.98 2kui s ASP 592 CO 0.43 0.05 -0.00 -0.69 0.52 0.00 0.00 175.17 175.47 2kui s VAL 593 N 0.90 0.23 -0.49 1.11 1.01 -1.26 -5.01 120.40 116.88 2kui s VAL 593 Ca 0.13 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 2kui s VAL 593 Cb -0.13 -0.32 0.02 0.00 0.00 0.00 0.00 36.38 35.95 2kui s VAL 593 CO 0.04 0.16 1.31 -0.62 0.00 0.00 0.00 175.10 175.99 2kui s ASP 594 N 1.09 6.38 0.00 3.32 -1.08 -1.26 -2.02 116.67 123.10 2kui s ASP 594 Ca -0.09 0.50 0.18 0.00 -0.52 0.00 0.00 52.55 52.62 2kui s ASP 594 Cb -0.14 -2.55 0.15 0.00 -1.46 0.00 0.00 42.92 38.93 2kui s ASP 594 CO -0.02 -1.46 1.07 0.00 0.52 0.00 0.00 175.17 175.29 2kui n ALA 595 N 8.68 2.47 0.00 3.66 0.00 -1.26 -5.02 120.51 129.04 2kui n ALA 595 Ca 0.13 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2kui n ALA 595 Cb 0.49 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.33 2kui n ALA 595 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kui n GLY 596 N 1.01 1.24 0.10 0.00 0.00 -1.26 -4.24 105.19 102.04 2kui n GLY 596 Ca 0.11 -2.02 -0.11 0.00 0.00 0.00 0.00 46.02 43.99 2kui n GLY 596 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2kui h GLY 597 N 0.00 0.24 2.00 -0.02 0.00 -1.98 0.09 103.07 103.40 2kui h GLY 597 Ca 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 2kui h GLY 597 CO 0.00 0.12 -0.31 1.48 0.00 0.00 0.00 176.54 177.83 2kui h SER 598 N 0.07 0.00 -0.02 0.19 4.64 -2.05 -2.86 113.55 113.52 2kui h SER 598 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2kui h SER 598 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2kui h SER 598 CO -0.00 0.31 -0.12 0.00 -0.87 0.00 0.00 176.83 176.16 2kui n GLN 599 N -3.70 1.46 0.00 4.77 1.13 -1.17 -4.99 117.38 114.89 2kui n GLN 599 Ca -0.01 -1.26 0.00 0.00 -1.94 0.00 0.00 57.00 53.79 2kui n GLN 599 Cb 0.42 -1.30 0.00 0.00 0.11 0.00 0.00 30.24 29.46 2kui n GLN 599 CO 0.00 0.00 0.00 -2.39 -1.44 0.00 0.00 177.06 173.23 2kui n HIS 600 N 0.57 0.00 -3.07 1.08 1.44 0.01 -4.04 115.22 111.22 2kui n HIS 600 Ca 0.09 0.00 -0.45 0.00 -2.01 0.00 0.00 57.72 55.35 2kui n HIS 600 Cb 0.39 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.49 2kui n HIS 600 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2kui s ASN 601 N -2.30 6.97 0.11 4.39 2.20 -1.18 -2.74 114.94 122.39 2kui s ASN 601 Ca 0.00 -2.84 0.08 0.00 -0.94 0.00 0.00 52.86 49.16 2kui s ASN 601 Cb 0.00 -2.34 -0.03 0.00 -2.00 0.00 0.00 41.25 36.88 2kui s ASN 601 CO 0.00 -0.71 -0.19 0.00 -2.94 0.00 0.00 177.10 173.25 2kui s ARG 602 N 1.12 1.09 0.15 3.55 1.70 -1.26 0.52 118.95 125.81 2kui s ARG 602 Ca 0.35 -1.16 -0.31 0.00 -0.47 0.00 0.00 55.73 54.13 2kui s ARG 602 Cb -0.06 -1.28 -0.09 0.00 -0.57 0.00 0.00 34.95 32.96 2kui s ARG 602 CO -0.05 0.29 1.42 0.08 -1.08 0.00 0.00 175.30 175.96 2kui s VAL 603 N -1.33 3.10 -0.21 4.99 1.01 0.49 -3.88 120.40 124.56 2kui s VAL 603 Ca 0.06 0.81 -0.18 0.00 0.00 0.00 0.00 61.98 62.68 2kui s VAL 603 Cb -0.09 -3.52 -0.14 0.00 0.00 0.00 0.00 36.38 32.63 2kui s VAL 603 CO 0.04 0.07 -0.03 0.52 0.00 0.00 0.00 175.10 175.71 2kui n VAL 604 N 3.67 1.51 -4.15 2.92 0.31 0.67 -2.29 118.33 120.98 2kui n VAL 604 Ca 0.11 -0.07 -0.10 0.00 -0.01 0.00 0.00 64.34 64.27 2kui n VAL 604 Cb 0.41 -2.07 -0.10 0.00 -0.91 0.00 0.00 33.84 31.17 2kui n VAL 604 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 2kui s TYR 605 N -2.42 0.81 -0.13 3.52 -0.85 -1.26 -4.70 117.35 112.33 2kui s TYR 605 Ca -0.29 -0.89 0.01 0.00 -0.52 0.00 0.00 57.07 55.38 2kui s TYR 605 Cb 0.07 -0.48 0.02 0.00 0.38 0.00 0.00 41.96 41.95 2kui s TYR 605 CO 0.50 -0.17 -0.14 1.14 -1.52 0.00 0.00 175.55 175.36 2kui s GLN 606 N -3.57 2.19 0.11 -3.49 -2.07 -1.26 -3.97 119.66 107.59 2kui s GLN 606 Ca 0.09 -0.53 -0.33 0.00 -1.82 0.00 0.00 55.36 52.77 2kui s GLN 606 Cb 0.04 -1.96 -0.12 0.00 -1.09 0.00 0.00 33.01 29.87 2kui s GLN 606 CO -0.05 -0.17 1.57 -0.97 -1.32 0.00 0.00 175.29 174.35 2kui h ASN 607 N 7.80 -1.47 -3.37 12.60 -1.24 -1.67 -3.38 115.58 124.84 2kui h ASN 607 Ca -0.34 0.16 -0.56 0.00 0.71 0.00 0.00 56.30 56.27 2kui h ASN 607 Cb 1.15 0.55 -0.05 0.00 0.73 0.00 0.00 38.32 40.70 2kui h ASN 607 CO 0.50 -0.53 0.16 -2.16 -1.29 0.00 0.00 177.43 174.12 2kui s PRO 608 N -5.82 4.46 0.89 6.67 0.05 -1.26 -5.05 135.00 134.93 2kui s PRO 608 Ca -0.16 1.00 -0.11 0.00 0.05 0.00 0.00 61.00 61.79 2kui s PRO 608 Cb 0.07 -3.46 0.13 0.00 0.05 0.00 0.00 34.50 31.29 2kui s PRO 608 CO 0.62 0.02 1.11 -2.14 0.05 0.00 0.00 177.00 176.66 2kui s PRO 609 N 0.92 1.28 0.20 0.56 0.02 -1.26 -4.89 135.00 131.82 2kui s PRO 609 Ca 0.41 1.26 -0.32 0.00 0.02 0.00 0.00 61.00 62.37 2kui s PRO 609 Cb -0.18 -1.78 -0.12 0.00 0.02 0.00 0.00 34.50 32.44 2kui s PRO 609 CO 0.20 -2.36 1.70 0.00 -0.33 0.00 0.00 177.00 176.21 2kui n ALA 610 N -4.02 2.63 0.00 -1.55 0.00 -1.26 -1.40 120.51 114.91 2kui n ALA 610 Ca 0.09 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2kui n ALA 610 Cb 0.53 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.48 2kui n ALA 610 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kui n GLY 611 N 3.89 0.87 3.92 0.00 0.00 -0.51 -4.96 105.19 108.40 2kui n GLY 611 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 2kui n GLY 611 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kui s THR 612 N -2.25 4.47 -0.05 2.61 2.01 -0.49 -4.70 115.64 117.25 2kui s THR 612 Ca 0.00 -0.08 -0.06 0.00 0.31 0.00 0.00 61.69 61.86 2kui s THR 612 Cb 0.00 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 2kui s THR 612 CO 0.00 -0.62 0.20 -0.83 -0.69 0.00 0.00 174.62 172.68 2kui s GLY 613 N -4.16 2.20 0.05 4.40 0.00 -1.26 -0.32 107.32 108.22 2kui s GLY 613 Ca 0.48 -0.65 -0.11 0.00 0.00 0.00 0.00 44.72 44.44 2kui s GLY 613 CO 0.42 -0.45 0.39 -1.34 0.00 0.00 0.00 173.10 172.12 2kui s VAL 614 N -1.20 5.09 1.31 1.40 -7.23 0.88 -4.74 120.40 115.91 2kui s VAL 614 Ca 0.23 0.56 -0.19 0.00 -1.81 0.00 0.00 61.98 60.76 2kui s VAL 614 Cb -0.13 -3.66 0.31 0.00 0.56 0.00 0.00 36.38 33.47 2kui s VAL 614 CO 0.12 0.39 0.79 -0.46 -0.31 0.00 0.00 175.10 175.63 2kui n ASN 615 N 1.21 -3.13 -0.30 4.85 0.23 -1.26 -0.52 115.26 116.34 2kui n ASN 615 Ca -0.10 -0.54 0.07 0.00 -0.53 0.00 0.00 54.58 53.48 2kui n ASN 615 Cb 0.52 -1.06 0.28 0.00 -2.08 0.00 0.00 39.78 37.45 2kui n ASN 615 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 2kui h ARG 616 N -3.13 0.89 -0.10 -3.83 1.12 -1.43 0.24 114.38 108.14 2kui h ARG 616 Ca -0.48 -0.05 -0.15 0.00 -1.11 0.00 0.00 59.98 58.18 2kui h ARG 616 Cb 1.28 -0.20 -0.01 0.00 -0.01 0.00 0.00 29.97 31.03 2kui h ARG 616 CO 0.34 0.59 -0.60 -0.44 -3.11 0.00 0.00 179.97 176.74 2kui h ASP 617 N 0.91 0.38 0.00 -3.80 5.19 -1.90 -3.47 116.42 113.74 2kui h ASP 617 Ca 0.42 -0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 2kui h ASP 617 Cb 0.40 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.80 2kui h ASP 617 CO -0.18 0.90 0.00 0.61 -3.12 0.00 0.00 179.24 177.44 2kui n GLY 618 N 0.29 0.46 3.66 2.75 0.00 0.07 -4.69 105.19 107.74 2kui n GLY 618 Ca -0.03 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 2kui n GLY 618 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kui s ILE 619 N -2.00 3.88 -0.10 -0.61 -1.16 -1.26 -4.90 121.20 115.05 2kui s ILE 619 Ca 0.00 1.05 0.02 0.00 -0.51 0.00 0.00 60.65 61.22 2kui s ILE 619 Cb 0.00 -3.70 -0.01 0.00 0.61 0.00 0.00 42.46 39.35 2kui s ILE 619 CO 0.00 -0.12 -0.17 -0.51 -2.81 0.00 0.00 174.94 171.33 2kui s ILE 620 N 3.94 2.69 -0.28 2.00 1.10 -1.26 -4.77 121.20 124.61 2kui s ILE 620 Ca 0.66 -0.81 -0.08 0.00 -0.51 0.00 0.00 60.65 59.90 2kui s ILE 620 Cb -0.28 -2.08 -0.02 0.00 0.15 0.00 0.00 42.46 40.24 2kui s ILE 620 CO 0.23 0.55 0.11 -0.89 -2.11 0.00 0.00 174.94 172.84 2kui s THR 621 N 0.09 4.45 0.14 4.00 2.01 -1.26 -4.53 115.64 120.55 2kui s THR 621 Ca -0.08 -0.32 -0.01 0.00 0.31 0.00 0.00 61.69 61.60 2kui s THR 621 Cb -0.15 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 2kui s THR 621 CO 0.05 0.19 0.05 -0.76 -0.69 0.00 0.00 174.62 173.46 2kui s LEU 622 N 1.61 1.78 -0.04 4.42 1.43 -1.26 -1.50 118.68 125.12 2kui s LEU 622 Ca 0.05 -1.22 -0.04 0.00 -1.03 0.00 0.00 54.13 51.90 2kui s LEU 622 Cb -0.16 0.24 0.01 0.00 0.03 0.00 0.00 46.19 46.31 2kui s LEU 622 CO 0.05 -0.71 0.11 -0.60 0.23 0.00 0.00 176.35 175.42 2kui s ARG 623 N -4.04 0.12 0.08 1.70 3.52 -1.25 -4.63 118.95 114.44 2kui s ARG 623 Ca 0.25 0.16 -0.00 0.00 -0.13 0.00 0.00 55.73 56.01 2kui s ARG 623 Cb 0.07 0.05 -0.04 0.00 -1.56 0.00 0.00 34.95 33.47 2kui s ARG 623 CO 0.03 -0.02 -0.03 -0.59 -0.81 0.00 0.00 175.30 173.88 2kui s PHE 624 N 0.11 0.68 0.00 5.12 -0.71 -1.26 -0.24 117.98 121.68 2kui s PHE 624 Ca -0.00 -1.05 0.00 0.00 -1.04 0.00 0.00 56.93 54.83 2kui s PHE 624 Cb -0.01 -0.45 0.00 0.00 -1.21 0.00 0.00 43.02 41.35 2kui s PHE 624 CO -0.00 -0.34 0.00 0.41 -1.34 0.00 0.00 175.22 173.95 2kui n GLY 625 N 0.03 0.86 0.00 1.99 0.00 -1.13 -4.67 105.19 102.26 2kui n GLY 625 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2kui n GLY 625 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14