#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2put s TYR 350 N 0.00 3.69 0.29 0.54 2.02 -1.26 -4.97 117.35 117.66 2put s TYR 350 Ca 0.00 1.45 0.06 0.00 -0.37 0.00 0.00 57.07 58.22 2put s TYR 350 Cb 0.00 -2.66 0.44 0.00 -0.40 0.00 0.00 41.96 39.34 2put s TYR 350 CO 0.00 0.35 1.69 0.87 -1.57 0.00 0.00 175.55 176.89 2put h LYS 351 N 3.52 0.23 -3.32 -0.62 1.57 -2.02 -3.46 116.57 112.47 2put h LYS 351 Ca -0.48 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.08 2put h LYS 351 Cb 1.19 -0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.32 2put h LYS 351 CO 0.65 0.63 -0.32 -1.01 -0.57 0.00 0.00 179.45 178.83 2put s HIS 352 N -4.11 -0.07 0.30 -1.35 3.76 -1.26 -5.05 115.29 107.52 2put s HIS 352 Ca -0.04 -0.03 -0.02 0.00 -0.15 0.00 0.00 55.06 54.82 2put s HIS 352 Cb 0.13 0.05 0.44 0.00 1.11 0.00 0.00 32.58 34.31 2put s HIS 352 CO 0.77 -0.43 1.97 0.74 -0.85 0.00 0.00 174.74 176.94 2put h PHE 353 N 3.55 1.04 -0.19 1.40 0.04 -1.97 -1.49 116.94 119.32 2put h PHE 353 Ca -0.31 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.52 2put h PHE 353 Cb 1.19 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.96 2put h PHE 353 CO 0.50 0.65 -0.00 1.98 -0.60 0.00 0.00 178.31 180.84 2put h MET 354 N 1.12 0.06 -0.68 1.51 4.05 -1.93 0.17 114.93 119.24 2put h MET 354 Ca 0.30 -0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.76 2put h MET 354 Cb -0.13 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 30.61 2put h MET 354 CO -0.07 0.04 0.40 0.37 0.23 0.00 0.00 176.91 177.89 2put h GLN 355 N 0.06 0.75 -0.51 0.39 4.15 -1.87 -0.59 115.11 117.49 2put h GLN 355 Ca 0.09 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.48 2put h GLN 355 Cb 0.11 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.61 2put h GLN 355 CO -0.16 0.50 0.32 -0.22 -1.93 0.00 0.00 178.83 177.34 2put h LYS 356 N 0.77 0.64 -0.33 1.69 3.64 -0.71 -2.08 116.57 120.19 2put h LYS 356 Ca 0.29 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.52 2put h LYS 356 Cb 0.09 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2put h LYS 356 CO -0.14 0.42 -0.23 0.93 -2.27 0.00 0.00 179.45 178.16 2put h GLU 357 N 0.66 0.64 -0.16 1.90 5.08 -0.19 0.31 114.58 122.81 2put h GLU 357 Ca 0.19 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2put h GLU 357 Cb -0.04 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2put h GLU 357 CO -0.06 0.82 0.08 0.82 -1.00 0.00 0.00 179.01 179.68 2put h ILE 358 N 0.57 1.11 0.00 3.13 2.04 -0.93 -2.87 117.51 120.55 2put h ILE 358 Ca 0.08 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2put h ILE 358 Cb 0.70 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 2put h ILE 358 CO 0.05 0.11 0.00 -0.26 0.00 0.00 0.00 178.15 178.05 2put h PHE 359 N 0.15 0.00 0.00 1.37 -1.00 -1.18 -2.61 116.94 113.67 2put h PHE 359 Ca 0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.84 2put h PHE 359 Cb 0.10 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.66 2put h PHE 359 CO -0.03 0.00 0.00 -1.91 -1.61 0.00 0.00 178.31 174.76 2put n GLU 360 N -2.40 0.06 0.08 1.51 2.13 0.08 -4.35 120.64 117.75 2put n GLU 360 Ca 0.03 0.06 0.04 0.00 0.66 0.00 0.00 57.16 57.95 2put n GLU 360 Cb 0.32 -1.50 0.47 0.00 0.27 0.00 0.00 31.44 31.00 2put n GLU 360 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2put h GLN 361 N 0.00 0.37 -0.95 5.31 4.20 -1.46 -0.82 115.11 121.76 2put h GLN 361 Ca 0.00 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.75 2put h GLN 361 Cb 0.41 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.05 2put h GLN 361 CO 0.00 0.28 0.62 -1.35 -0.67 0.00 0.00 178.83 177.71 2put h PRO 362 N 0.37 1.06 -0.05 1.46 0.11 -1.81 0.11 132.00 133.25 2put h PRO 362 Ca 0.10 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 66.00 2put h PRO 362 Cb 0.03 -0.24 0.01 0.00 0.11 0.00 0.00 31.00 30.91 2put h PRO 362 CO -0.01 0.70 -0.54 -0.44 -0.21 0.00 0.00 178.00 177.49 2put h ASP 363 N 1.09 0.56 -0.25 -2.05 3.32 -1.52 -2.57 116.42 115.01 2put h ASP 363 Ca 0.41 -0.70 -0.11 0.00 0.02 0.00 0.00 57.03 56.66 2put h ASP 363 Cb 0.20 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2put h ASP 363 CO -0.16 1.18 -0.21 0.77 -1.72 0.00 0.00 179.24 179.10 2put h SER 364 N -0.01 0.71 -0.47 6.45 4.64 -1.01 0.22 113.55 124.08 2put h SER 364 Ca -0.05 -0.24 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 2put h SER 364 Cb 1.22 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 2put h SER 364 CO 0.11 0.91 0.22 0.00 -0.87 0.00 0.00 176.83 177.20 2put h ALA 365 N 1.15 0.61 -0.35 5.18 0.00 -0.83 -0.40 119.26 124.62 2put h ALA 365 Ca 0.09 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2put h ALA 365 Cb 0.69 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2put h ALA 365 CO 0.05 0.18 0.21 0.35 0.00 0.00 0.00 179.25 180.04 2put h PHE 366 N 0.62 0.40 -0.43 0.00 3.57 -1.21 -2.92 116.94 116.97 2put h PHE 366 Ca 0.16 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 2put h PHE 366 Cb 0.13 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 2put h PHE 366 CO -0.01 0.24 0.09 -0.91 -2.23 0.00 0.00 178.31 175.49 2put h ASN 367 N 0.43 0.60 -0.61 0.41 2.35 -0.55 0.15 115.58 118.35 2put h ASN 367 Ca 0.14 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 2put h ASN 367 Cb -0.01 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 2put h ASN 367 CO -0.06 0.62 0.23 0.74 -1.65 0.00 0.00 177.43 177.31 2put h THR 368 N 0.63 1.23 0.00 2.81 2.02 -1.00 -2.86 112.91 115.75 2put h THR 368 Ca 0.14 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.55 2put h THR 368 Cb 0.27 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 2put h THR 368 CO -0.00 0.30 -0.38 0.24 0.37 0.00 0.00 175.52 176.05 2put h MET 369 N 0.94 0.00 -6.53 6.66 2.86 -1.16 -3.46 114.93 114.24 2put h MET 369 Ca 0.22 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.33 2put h MET 369 Cb 0.23 0.00 0.04 0.00 0.06 0.00 0.00 31.60 31.93 2put h MET 369 CO -0.01 0.00 1.11 0.50 1.06 0.00 0.00 176.91 179.57 2put s ARG 370 N -3.17 4.13 0.00 1.72 3.52 -0.03 -1.48 118.95 123.63 2put s ARG 370 Ca 0.07 2.62 0.00 0.00 -0.13 0.00 0.00 55.73 58.29 2put s ARG 370 Cb 0.12 -3.54 0.00 0.00 -1.56 0.00 0.00 34.95 29.96 2put s ARG 370 CO 0.68 -0.85 0.00 0.41 -0.81 0.00 0.00 175.30 174.74 2put n GLY 371 N 4.23 0.54 0.00 8.12 0.00 -1.26 -4.81 105.19 112.02 2put n GLY 371 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.22 2put n GLY 371 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2put n ARG 372 N -2.01 0.36 -4.29 1.61 1.74 -0.55 -4.88 116.66 108.63 2put n ARG 372 Ca 0.00 -0.04 -0.31 0.00 -0.77 0.00 0.00 57.85 56.73 2put n ARG 372 Cb 0.07 -1.12 -0.16 0.00 -1.02 0.00 0.00 32.46 30.22 2put n ARG 372 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2put s ILE 373 N -2.34 1.79 -0.57 0.55 1.01 -1.13 -0.34 121.20 120.16 2put s ILE 373 Ca -0.02 -0.79 -0.22 0.00 0.00 0.00 0.00 60.65 59.62 2put s ILE 373 Cb 0.03 -1.63 0.06 0.00 0.01 0.00 0.00 42.46 40.94 2put s ILE 373 CO 0.21 0.50 0.84 -0.62 0.00 0.00 0.00 174.94 175.87 2put s ASP 374 N 1.18 6.24 0.27 3.58 -1.08 0.28 -4.92 116.67 122.22 2put s ASP 374 Ca -0.00 -0.80 0.12 0.00 -0.52 0.00 0.00 52.55 51.35 2put s ASP 374 Cb -0.14 -2.38 0.33 0.00 -1.46 0.00 0.00 42.92 39.27 2put s ASP 374 CO -0.07 -1.19 1.58 -0.26 0.52 0.00 0.00 175.17 175.75 2put h PHE 375 N 9.29 0.00 0.03 -5.34 0.04 -1.95 0.15 116.94 119.16 2put h PHE 375 Ca -0.28 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.49 2put h PHE 375 Cb 1.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.23 2put h PHE 375 CO 0.88 0.62 -0.01 0.93 -0.60 0.00 0.00 178.31 180.13 2put h GLU 376 N 0.00 -0.04 -0.02 1.51 3.07 -1.98 -3.25 114.58 113.88 2put h GLU 376 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2put h GLU 376 Cb 1.16 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 2put h GLU 376 CO 0.08 0.17 -0.26 0.09 -1.40 0.00 0.00 179.01 177.69 2put n ASN 377 N -5.01 1.86 -3.52 1.42 3.02 -1.23 -4.99 115.26 106.80 2put n ASN 377 Ca -0.08 -1.43 -0.22 0.00 -0.03 0.00 0.00 54.58 52.82 2put n ASN 377 Cb 0.13 0.22 0.05 0.00 -0.61 0.00 0.00 39.78 39.57 2put n ASN 377 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2put s VAL 379 N -3.49 2.04 -0.21 0.00 1.01 -0.77 -4.95 120.40 114.03 2put s VAL 379 Ca 0.32 -1.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 2put s VAL 379 Cb -0.08 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 2put s VAL 379 CO 0.80 0.55 0.12 -0.69 0.00 0.00 0.00 175.10 175.88 2put s VAL 380 N 0.41 5.19 -0.20 2.92 1.01 -1.26 -0.56 120.40 127.92 2put s VAL 380 Ca -0.17 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 2put s VAL 380 Cb -0.18 -3.38 0.05 0.00 0.00 0.00 0.00 36.38 32.88 2put s VAL 380 CO 0.07 0.41 -0.03 -0.89 0.00 0.00 0.00 175.10 174.66 2put s THR 381 N 0.66 1.08 -0.47 3.92 2.01 0.54 -4.86 115.64 118.52 2put s THR 381 Ca 0.06 -0.80 -0.07 0.00 0.31 0.00 0.00 61.69 61.19 2put s THR 381 Cb -0.12 -1.38 0.12 0.00 0.01 0.00 0.00 72.50 71.13 2put s THR 381 CO 0.01 -0.04 0.32 -0.76 -0.69 0.00 0.00 174.62 173.46 2put s LEU 382 N 1.62 5.58 0.37 4.42 1.43 -1.26 -4.43 118.68 126.41 2put s LEU 382 Ca -0.02 -2.01 0.08 0.00 -1.03 0.00 0.00 54.13 51.15 2put s LEU 382 Cb -0.17 -1.96 0.79 0.00 0.03 0.00 0.00 46.19 44.88 2put s LEU 382 CO -0.07 -0.64 1.94 1.23 0.23 0.00 0.00 176.35 179.04 2put h GLY 383 N 8.26 0.98 2.00 -3.19 0.00 -1.95 0.09 103.07 109.26 2put h GLY 383 Ca -0.17 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2put h GLY 383 CO 0.81 0.18 0.00 -1.33 0.00 0.00 0.00 176.54 176.20 2put h GLY 384 N 0.70 0.00 0.00 4.60 0.00 -1.94 -3.07 103.07 103.36 2put h GLY 384 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 2put h GLY 384 CO -0.13 0.00 -0.65 1.04 0.00 0.00 0.00 176.54 176.81 2put n LEU 385 N -2.78 0.05 0.00 3.11 4.77 -0.15 -3.72 117.00 118.28 2put n LEU 385 Ca -0.00 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 2put n LEU 385 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2put n LEU 385 CO 0.21 0.01 0.00 1.17 -1.33 0.00 0.00 177.39 177.46 2put n LYS 386 N -1.34 0.00 -0.21 3.23 4.81 -0.21 -0.00 118.16 124.44 2put n LYS 386 Ca -0.00 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.50 2put n LYS 386 Cb 0.05 0.00 0.16 0.00 0.02 0.00 0.00 35.03 35.26 2put n LYS 386 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2put n SER 387 N 0.00 2.04 -0.00 3.14 3.41 -1.26 -3.35 113.62 117.60 2put n SER 387 Ca 0.00 -2.04 0.08 0.00 -0.26 0.00 0.00 58.87 56.65 2put n SER 387 Cb 0.00 -0.27 -0.10 0.00 -0.26 0.00 0.00 64.21 63.58 2put n SER 387 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2put n TRP 388 N 0.53 0.00 -0.15 7.33 7.02 1.00 -4.67 117.44 128.49 2put n TRP 388 Ca 0.12 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.54 2put n TRP 388 Cb 0.34 -0.07 0.03 0.00 -2.42 0.00 0.00 31.31 29.19 2put n TRP 388 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 2put h LEU 389 N 0.00 0.43 -1.36 -0.99 3.38 -1.45 0.24 115.31 115.55 2put h LEU 389 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2put h LEU 389 Cb 0.45 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2put h LEU 389 CO 0.00 0.30 0.29 0.77 0.09 0.00 0.00 178.44 179.89 2put h SER 390 N 0.54 0.64 -0.07 -0.43 4.64 -1.85 -1.22 113.55 115.81 2put h SER 390 Ca 0.19 -0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 61.38 2put h SER 390 Cb 0.03 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2put h SER 390 CO -0.10 0.52 -0.30 0.74 -0.87 0.00 0.00 176.83 176.83 2put h THR 391 N 0.73 1.43 -0.18 2.95 2.02 -1.71 -3.05 112.91 115.10 2put h THR 391 Ca 0.19 -1.71 0.04 0.00 0.77 0.00 0.00 66.41 65.70 2put h THR 391 Cb 0.02 2.33 -0.04 0.00 -1.74 0.00 0.00 68.15 68.72 2put h THR 391 CO -0.03 0.49 -0.10 0.40 0.37 0.00 0.00 175.52 176.65 2put h ILE 392 N -0.18 0.69 -0.82 3.11 2.04 -0.22 -1.55 117.51 120.58 2put h ILE 392 Ca -0.02 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.02 2put h ILE 392 Cb 0.95 0.69 -0.11 0.00 -0.74 0.00 0.00 36.82 37.61 2put h ILE 392 CO 0.06 0.00 0.33 0.03 0.00 0.00 0.00 178.15 178.57 2put h ARG 393 N -0.09 0.41 -4.17 2.37 3.08 -1.32 -3.33 114.38 111.34 2put h ARG 393 Ca 0.10 -0.02 -0.62 0.00 0.07 0.00 0.00 59.98 59.50 2put h ARG 393 Cb 0.24 -0.09 0.03 0.00 0.08 0.00 0.00 29.97 30.22 2put h ARG 393 CO -0.24 0.27 2.57 -2.13 -1.07 0.00 0.00 179.97 179.37 2put n ARG 394 N -5.03 1.94 -3.98 0.04 3.00 -0.58 -4.81 116.66 107.24 2put n ARG 394 Ca 0.18 -1.95 -0.09 0.00 -0.00 0.00 0.00 57.85 55.99 2put n ARG 394 Cb 0.52 -2.92 -0.10 0.00 0.00 0.00 0.00 32.46 29.97 2put n ARG 394 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2put h ARG 396 N 3.67 0.99 -2.32 0.00 2.43 -0.70 -3.48 114.38 114.97 2put h ARG 396 Ca -0.33 -0.32 0.12 0.00 -0.81 0.00 0.00 59.98 58.64 2put h ARG 396 Cb 1.18 -0.09 -0.14 0.00 -0.42 0.00 0.00 29.97 30.51 2put h ARG 396 CO 0.53 0.99 0.48 -0.98 -1.51 0.00 0.00 179.97 179.49 2put s ARG 397 N -4.96 0.92 -0.09 0.20 1.70 -1.25 -4.48 118.95 111.00 2put s ARG 397 Ca -0.11 -0.39 0.00 0.00 -0.47 0.00 0.00 55.73 54.77 2put s ARG 397 Cb 0.14 0.39 -0.03 0.00 -0.57 0.00 0.00 34.95 34.88 2put s ARG 397 CO 0.85 -0.41 -0.08 0.42 -1.08 0.00 0.00 175.30 175.00 2put s ILE 398 N -3.18 3.59 -0.20 4.99 1.01 0.63 -1.73 121.20 126.32 2put s ILE 398 Ca 0.06 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.22 2put s ILE 398 Cb -0.01 -2.48 0.03 0.00 0.01 0.00 0.00 42.46 40.01 2put s ILE 398 CO -0.07 0.57 -0.18 -0.63 0.00 0.00 0.00 174.94 174.64 2put s ILE 399 N -0.50 2.09 -0.16 2.92 1.01 0.60 -1.45 121.20 125.71 2put s ILE 399 Ca 0.07 -1.11 -0.17 0.00 0.00 0.00 0.00 60.65 59.44 2put s ILE 399 Cb -0.12 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 2put s ILE 399 CO 0.02 0.40 0.43 -0.04 0.00 0.00 0.00 174.94 175.75 2put s MET 400 N 1.24 4.26 -0.08 2.79 -1.94 0.38 0.26 119.30 126.21 2put s MET 400 Ca 0.01 0.31 0.02 0.00 -1.71 0.00 0.00 55.69 54.32 2put s MET 400 Cb -0.15 -3.48 0.02 0.00 2.01 0.00 0.00 34.83 33.23 2put s MET 400 CO -0.11 0.07 -0.11 0.42 -0.01 0.00 0.00 175.02 175.28 2put s ILE 401 N 0.93 1.15 0.16 2.53 1.01 0.50 0.11 121.20 127.60 2put s ILE 401 Ca 0.22 -0.45 -0.23 0.00 0.00 0.00 0.00 60.65 60.18 2put s ILE 401 Cb -0.15 -1.08 0.08 0.00 0.01 0.00 0.00 42.46 41.32 2put s ILE 401 CO 0.08 0.37 1.03 0.00 0.00 0.00 0.00 174.94 176.42 2put s ALA 402 N 0.97 -1.65 0.06 9.38 0.00 -0.96 -2.40 121.76 127.16 2put s ALA 402 Ca -0.09 -0.14 0.09 0.00 0.00 0.00 0.00 51.96 51.82 2put s ALA 402 Cb -0.15 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 2put s ALA 402 CO -0.00 -1.06 -0.24 0.00 0.00 0.00 0.00 175.76 174.47 2put n GLY 404 N 1.61 3.53 0.21 0.00 0.00 -1.26 -2.20 105.19 107.08 2put n GLY 404 Ca -0.17 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 45.87 2put n GLY 404 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2put h THR 405 N 0.00 1.21 -0.22 2.61 2.02 -1.98 -1.42 112.91 115.14 2put h THR 405 Ca 0.00 -1.01 -0.05 0.00 0.77 0.00 0.00 66.41 66.12 2put h THR 405 Cb 0.00 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 2put h THR 405 CO 0.00 0.29 -0.11 0.28 0.37 0.00 0.00 175.52 176.36 2put h SER 406 N 0.07 0.33 -0.44 4.18 0.02 -1.77 -0.96 113.55 114.97 2put h SER 406 Ca 0.01 -0.07 -0.14 0.00 -0.84 0.00 0.00 61.79 60.76 2put h SER 406 Cb 0.51 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 2put h SER 406 CO 0.04 0.47 -0.25 0.22 -1.14 0.00 0.00 176.83 176.16 2put h TYR 407 N 0.33 1.11 -0.81 3.45 3.20 -1.03 -2.78 116.97 120.45 2put h TYR 407 Ca 0.07 -0.28 -0.00 0.00 3.14 0.00 0.00 58.73 61.65 2put h TYR 407 Cb 0.39 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 2put h TYR 407 CO 0.01 1.10 0.48 0.45 -1.64 0.00 0.00 178.16 178.56 2put h HIS 408 N 0.82 1.06 -0.10 -3.82 3.86 -0.63 -1.53 115.15 114.82 2put h HIS 408 Ca 0.10 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 2put h HIS 408 Cb 0.83 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 2put h HIS 408 CO 0.05 0.71 0.04 0.66 0.86 0.00 0.00 177.93 180.24 2put h SER 409 N 1.11 0.12 -0.05 2.45 4.64 -0.97 0.72 113.55 121.57 2put h SER 409 Ca 0.29 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.47 2put h SER 409 Cb -0.04 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 62.02 2put h SER 409 CO -0.05 0.12 -0.50 0.00 -0.87 0.00 0.00 176.83 175.53 2put h LEU 411 N -0.04 1.03 -2.33 0.00 3.38 -0.81 -0.47 115.31 116.06 2put h LEU 411 Ca -0.05 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2put h LEU 411 Cb 1.17 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 2put h LEU 411 CO 0.10 0.70 -0.01 0.00 0.09 0.00 0.00 178.44 179.33 2put h ALA 412 N 1.45 1.02 0.00 1.53 0.00 -0.85 -3.20 119.26 119.20 2put h ALA 412 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2put h ALA 412 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2put h ALA 412 CO -0.12 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.39 2put n THR 413 N -3.12 0.00 -0.09 0.00 -2.24 -0.97 -4.75 114.28 103.11 2put n THR 413 Ca -0.02 -0.50 -0.06 0.00 -2.27 0.00 0.00 64.05 61.21 2put n THR 413 Cb 0.17 1.00 0.01 0.00 -2.10 0.00 0.00 70.33 69.41 2put n THR 413 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2put h ARG 414 N 0.00 0.08 -0.61 -0.78 2.43 -1.09 -1.84 114.38 112.58 2put h ARG 414 Ca 0.00 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2put h ARG 414 Cb 0.00 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 2put h ARG 414 CO 0.00 0.06 0.34 1.03 -1.51 0.00 0.00 179.97 179.89 2put h SER 415 N 0.09 0.75 0.33 -3.80 0.87 -1.85 -0.92 113.55 109.02 2put h SER 415 Ca 0.16 -0.08 -0.12 0.00 -1.23 0.00 0.00 61.79 60.51 2put h SER 415 Cb 0.22 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2put h SER 415 CO -0.27 0.62 -0.51 -0.29 -0.53 0.00 0.00 176.83 175.84 2put h ILE 416 N 0.82 1.35 -0.22 2.23 6.09 -1.85 0.25 117.51 126.19 2put h ILE 416 Ca 0.21 -1.76 -0.01 0.00 -1.37 0.00 0.00 64.86 61.93 2put h ILE 416 Cb 0.02 1.86 -0.01 0.00 0.47 0.00 0.00 36.82 39.17 2put h ILE 416 CO -0.04 0.52 0.09 -0.26 -3.07 0.00 0.00 178.15 175.40 2put h PHE 417 N 0.16 0.33 -0.57 2.19 0.04 -0.72 -1.17 116.94 117.19 2put h PHE 417 Ca 0.00 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 2put h PHE 417 Cb 0.96 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.98 2put h PHE 417 CO 0.01 0.36 0.30 0.93 -0.60 0.00 0.00 178.31 179.32 2put h GLU 418 N 0.21 0.81 0.03 1.51 5.08 -0.94 -1.35 114.58 119.93 2put h GLU 418 Ca 0.08 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2put h GLU 418 Cb 0.16 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2put h GLU 418 CO -0.01 0.63 -0.02 1.49 -1.00 0.00 0.00 179.01 180.11 2put h GLU 419 N 0.77 -0.04 -0.03 2.33 4.81 -0.36 -0.90 114.58 121.16 2put h GLU 419 Ca 0.20 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.24 2put h GLU 419 Cb 0.07 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2put h GLU 419 CO -0.03 0.05 -0.82 -0.07 -0.73 0.00 0.00 179.01 177.41 2put h LEU 420 N -0.12 0.38 0.00 1.64 3.38 -1.17 -3.36 115.31 116.06 2put h LEU 420 Ca -0.00 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2put h LEU 420 Cb 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2put h LEU 420 CO 0.01 1.05 -1.75 0.35 0.09 0.00 0.00 178.44 178.18 2put n THR 421 N -3.75 0.00 -2.05 0.22 -2.24 -0.51 -4.73 114.28 101.21 2put n THR 421 Ca -0.04 -0.38 -0.16 0.00 -2.27 0.00 0.00 64.05 61.19 2put n THR 421 Cb 0.76 0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 69.10 2put n THR 421 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2put n GLU 422 N -2.07 -1.74 -3.94 -0.78 1.02 -0.35 -4.98 120.64 107.80 2put n GLU 422 Ca -0.03 0.85 -0.36 0.00 -0.02 0.00 0.00 57.16 57.59 2put n GLU 422 Cb 0.44 -5.35 -0.07 0.00 -0.02 0.00 0.00 31.44 26.45 2put n GLU 422 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2put s ILE 423 N -2.63 5.26 0.31 -3.67 1.01 -1.26 -5.07 121.20 115.15 2put s ILE 423 Ca 0.00 0.12 -0.29 0.00 0.00 0.00 0.00 60.65 60.47 2put s ILE 423 Cb 0.00 -3.30 -0.12 0.00 0.01 0.00 0.00 42.46 39.05 2put s ILE 423 CO 0.00 0.58 1.50 -2.65 0.00 0.00 0.00 174.94 174.37 2put n PRO 424 N 2.34 2.53 -4.05 2.79 -0.02 -1.26 -4.59 135.00 132.74 2put n PRO 424 Ca -0.19 0.89 -0.27 0.00 -2.02 0.00 0.00 63.50 61.91 2put n PRO 424 Cb 0.54 -2.62 -0.17 0.00 -0.02 0.00 0.00 33.50 31.23 2put n PRO 424 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2put s VAL 425 N -0.45 1.14 0.21 -1.45 1.01 -1.26 -0.27 120.40 119.34 2put s VAL 425 Ca 0.61 -0.38 0.10 0.00 0.00 0.00 0.00 61.98 62.30 2put s VAL 425 Cb -0.52 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 2put s VAL 425 CO 0.54 0.38 -0.14 -0.94 0.00 0.00 0.00 175.10 174.95 2put s SER 426 N 1.49 3.99 -0.13 3.32 1.04 -0.52 -4.99 113.70 117.88 2put s SER 426 Ca 0.02 -0.72 0.02 0.00 0.48 0.00 0.00 55.95 55.75 2put s SER 426 Cb -0.13 -0.56 0.01 0.00 0.10 0.00 0.00 66.02 65.44 2put s SER 426 CO -0.07 0.09 -0.21 -0.69 0.98 0.00 0.00 173.24 173.34 2put s VAL 427 N -1.87 2.16 0.01 5.02 1.01 -1.26 -0.47 120.40 125.01 2put s VAL 427 Ca 0.25 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.36 2put s VAL 427 Cb -0.08 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 2put s VAL 427 CO 0.14 0.55 -0.25 -1.61 0.00 0.00 0.00 175.10 173.93 2put s GLU 428 N 0.72 1.86 -0.00 2.72 0.41 0.12 -4.95 118.70 119.58 2put s GLU 428 Ca -0.09 -0.98 -0.30 0.00 -0.41 0.00 0.00 54.97 53.20 2put s GLU 428 Cb -0.16 -1.91 -0.03 0.00 -1.78 0.00 0.00 34.13 30.25 2put s GLU 428 CO 0.00 0.51 0.97 -1.17 -0.49 0.00 0.00 175.26 175.08 2put s LEU 429 N -0.89 4.37 0.25 1.80 2.96 -1.26 -2.26 118.68 123.65 2put s LEU 429 Ca 0.10 1.65 -0.04 0.00 -0.22 0.00 0.00 54.13 55.62 2put s LEU 429 Cb -0.10 -3.56 0.36 0.00 0.50 0.00 0.00 46.19 43.40 2put s LEU 429 CO 0.00 -0.25 1.86 0.00 -1.32 0.00 0.00 176.35 176.65 2put h ALA 430 N 6.78 1.26 -0.40 5.97 0.00 -1.25 -0.54 119.26 131.08 2put h ALA 430 Ca -0.41 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.33 2put h ALA 430 Cb 1.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2put h ALA 430 CO 0.75 0.35 -0.35 0.66 0.00 0.00 0.00 179.25 180.66 2put h SER 431 N 1.06 1.00 -0.30 0.00 4.64 -1.84 -2.36 113.55 115.75 2put h SER 431 Ca 0.40 -0.45 -0.16 0.00 -0.47 0.00 0.00 61.79 61.11 2put h SER 431 Cb 0.16 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2put h SER 431 CO -0.17 1.24 -0.42 -0.78 -0.87 0.00 0.00 176.83 175.83 2put h ASP 432 N 0.77 0.88 -0.60 4.97 3.58 -1.80 0.04 116.42 124.27 2put h ASP 432 Ca 0.07 -0.51 0.12 0.00 0.42 0.00 0.00 57.03 57.14 2put h ASP 432 Cb 0.94 -0.25 -0.10 0.00 1.72 0.00 0.00 39.33 41.64 2put h ASP 432 CO 0.09 1.22 0.01 0.15 -2.88 0.00 0.00 179.24 177.83 2put h PHE 433 N 0.57 -0.02 -0.21 0.28 3.57 -1.06 -0.32 116.94 119.75 2put h PHE 433 Ca 0.03 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 2put h PHE 433 Cb 1.02 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 2put h PHE 433 CO 0.07 -0.15 0.02 -0.07 -2.23 0.00 0.00 178.31 175.95 2put h LEU 434 N 0.13 0.35 -0.60 0.59 3.38 -1.21 -2.73 115.31 115.21 2put h LEU 434 Ca 0.32 -0.28 0.11 0.00 0.09 0.00 0.00 57.88 58.12 2put h LEU 434 Cb 0.51 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.08 2put h LEU 434 CO -0.51 0.54 0.14 0.44 0.09 0.00 0.00 178.44 179.14 2put h ASP 435 N 0.14 0.02 0.73 -0.43 3.32 -0.54 -1.08 116.42 118.59 2put h ASP 435 Ca 0.06 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2put h ASP 435 Cb 0.35 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.05 2put h ASP 435 CO 0.01 0.02 0.00 0.54 -1.72 0.00 0.00 179.24 178.08 2put n ARG 436 N -5.12 0.01 -3.96 3.56 1.74 -0.17 -4.91 116.66 107.81 2put n ARG 436 Ca 0.09 0.15 -0.27 0.00 -0.77 0.00 0.00 57.85 57.05 2put n ARG 436 Cb 0.32 -1.51 -0.01 0.00 -1.02 0.00 0.00 32.46 30.24 2put n ARG 436 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2put n ARG 437 N -1.53 -3.78 -1.71 5.56 1.74 -0.41 -4.80 116.66 111.72 2put n ARG 437 Ca 0.05 0.45 -0.42 0.00 -0.77 0.00 0.00 57.85 57.16 2put n ARG 437 Cb 0.25 -4.84 -0.03 0.00 -1.02 0.00 0.00 32.46 26.82 2put n ARG 437 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2put s SER 438 N -4.07 6.43 0.27 0.55 0.15 -1.14 -4.90 113.70 110.99 2put s SER 438 Ca 0.20 2.75 -0.30 0.00 0.70 0.00 0.00 55.95 59.30 2put s SER 438 Cb -0.11 -2.56 -0.11 0.00 -1.71 0.00 0.00 66.02 61.53 2put s SER 438 CO 0.88 -1.01 1.57 -2.84 1.20 0.00 0.00 173.24 173.04 2put s PRO 439 N 2.87 4.15 0.02 5.44 0.02 -1.26 -5.01 135.00 141.23 2put s PRO 439 Ca 0.81 2.52 0.03 0.00 0.02 0.00 0.00 61.00 64.38 2put s PRO 439 Cb -0.46 -3.05 -0.02 0.00 0.02 0.00 0.00 34.50 31.00 2put s PRO 439 CO 0.37 -0.60 -0.10 0.08 -0.33 0.00 0.00 177.00 176.42 2put s VAL 440 N 0.14 0.79 0.29 3.83 1.01 -1.26 -5.16 120.40 120.05 2put s VAL 440 Ca 0.64 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.93 2put s VAL 440 Cb -0.47 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 2put s VAL 440 CO 0.45 0.01 0.25 -0.36 0.00 0.00 0.00 175.10 175.45 2put s PHE 441 N -0.65 1.51 0.43 5.22 0.08 -1.26 -4.87 117.98 118.44 2put s PHE 441 Ca 0.00 -1.54 0.16 0.00 0.12 0.00 0.00 56.93 55.67 2put s PHE 441 Cb -0.06 -0.61 1.07 0.00 -0.57 0.00 0.00 43.02 42.85 2put s PHE 441 CO 0.00 -0.82 1.93 -0.09 -0.10 0.00 0.00 175.22 176.14 2put h ARG 442 N 2.28 0.38 -0.26 0.44 2.43 -1.73 -2.35 114.38 115.58 2put h ARG 442 Ca -0.28 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 2put h ARG 442 Cb 1.24 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2put h ARG 442 CO 0.41 0.25 0.00 -0.40 -1.51 0.00 0.00 179.97 178.72 2put n ASP 443 N -4.47 1.43 -4.82 -3.80 5.68 -1.26 -4.29 116.55 105.03 2put n ASP 443 Ca 0.14 -1.97 -0.36 0.00 -0.50 0.00 0.00 54.79 52.10 2put n ASP 443 Cb 0.53 -0.17 -0.07 0.00 -1.14 0.00 0.00 41.12 40.27 2put n ASP 443 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 2put s ASP 444 N -1.05 6.21 -0.27 -1.12 1.01 -0.88 0.05 116.67 120.61 2put s ASP 444 Ca 0.19 0.37 -0.09 0.00 0.71 0.00 0.00 52.55 53.73 2put s ASP 444 Cb 0.10 -2.02 -0.03 0.00 1.01 0.00 0.00 42.92 41.98 2put s ASP 444 CO 0.13 0.34 0.13 -0.89 0.21 0.00 0.00 175.17 175.10 2put s THR 445 N -0.63 4.76 -0.21 -1.27 2.01 -0.70 -2.04 115.64 117.56 2put s THR 445 Ca 0.13 -0.06 -0.04 0.00 0.31 0.00 0.00 61.69 62.02 2put s THR 445 Cb -0.12 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 69.10 2put s THR 445 CO 0.02 0.27 -0.02 0.00 -0.69 0.00 0.00 174.62 174.20 2put s VAL 447 N 1.21 3.42 -0.22 0.00 1.01 0.14 -0.86 120.40 125.10 2put s VAL 447 Ca 0.03 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 2put s VAL 447 Cb -0.14 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 2put s VAL 447 CO 0.00 0.40 0.02 -0.36 0.00 0.00 0.00 175.10 175.16 2put s PHE 448 N 1.48 3.05 -0.21 5.22 0.40 0.11 -0.37 117.98 127.67 2put s PHE 448 Ca 0.06 -0.48 -0.05 0.00 -0.60 0.00 0.00 56.93 55.85 2put s PHE 448 Cb -0.14 -2.14 -0.02 0.00 0.51 0.00 0.00 43.02 41.22 2put s PHE 448 CO -0.03 -0.30 -0.00 0.08 0.70 0.00 0.00 175.22 175.67 2put s VAL 449 N 1.25 3.88 -0.22 -0.44 1.01 -1.01 -0.00 120.40 124.86 2put s VAL 449 Ca 0.04 -0.33 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 2put s VAL 449 Cb -0.15 -2.76 0.07 0.00 0.00 0.00 0.00 36.38 33.54 2put s VAL 449 CO 0.02 0.42 0.54 -0.55 0.00 0.00 0.00 175.10 175.52 2put s SER 450 N 1.13 -0.71 -0.00 3.32 0.15 -0.47 -4.52 113.70 112.60 2put s SER 450 Ca 0.03 1.19 -0.23 0.00 0.70 0.00 0.00 55.95 57.63 2put s SER 450 Cb -0.14 1.12 -0.13 0.00 -1.71 0.00 0.00 66.02 65.15 2put s SER 450 CO 0.01 -0.22 0.99 -0.61 1.20 0.00 0.00 173.24 174.61 2put h GLN 451 N 7.16 -0.73 0.00 5.44 -0.00 -1.95 -2.86 115.11 122.17 2put h GLN 451 Ca -0.32 0.05 -0.12 0.00 -0.00 0.00 0.00 58.65 58.26 2put h GLN 451 Cb 1.20 0.16 -0.02 0.00 0.00 0.00 0.00 27.48 28.82 2put h GLN 451 CO 0.22 -0.45 -0.56 0.66 0.00 0.00 0.00 178.83 178.70 2put h SER 452 N -1.15 0.00 -0.06 -0.69 4.64 -1.96 -1.69 113.55 112.64 2put h SER 452 Ca -0.08 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 2put h SER 452 Cb 0.61 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 2put h SER 452 CO 0.13 0.56 -0.03 0.61 -0.87 0.00 0.00 176.83 177.23 2put n GLY 453 N 0.62 0.37 0.00 -0.77 0.00 -1.25 -4.53 105.19 99.62 2put n GLY 453 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2put n GLY 453 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2put n GLU 454 N -1.21 0.02 -1.83 1.61 -0.58 -1.26 -0.96 120.64 116.43 2put n GLU 454 Ca -0.01 -0.43 -0.42 0.00 -0.42 0.00 0.00 57.16 55.87 2put n GLU 454 Cb 0.26 -0.74 -0.03 0.00 -0.57 0.00 0.00 31.44 30.36 2put n GLU 454 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2put s THR 455 N -0.12 2.41 0.15 2.62 2.01 -1.26 -4.89 115.64 116.56 2put s THR 455 Ca 0.00 0.23 -0.17 0.00 0.31 0.00 0.00 61.69 62.07 2put s THR 455 Cb 0.00 -3.15 0.02 0.00 0.01 0.00 0.00 72.50 69.38 2put s THR 455 CO 0.00 0.01 1.73 0.00 -0.69 0.00 0.00 174.62 175.67 2put h ALA 456 N 7.15 0.35 -0.13 7.40 0.00 -1.99 -1.13 119.26 130.91 2put h ALA 456 Ca -0.43 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 2put h ALA 456 Cb 1.20 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2put h ALA 456 CO 0.94 -0.34 -0.27 -0.44 0.00 0.00 0.00 179.25 179.13 2put h ASP 457 N 0.18 0.24 -0.36 0.00 3.32 -1.96 -0.36 116.42 117.47 2put h ASP 457 Ca 0.16 -0.07 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 2put h ASP 457 Cb 0.18 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2put h ASP 457 CO -0.21 0.51 -0.35 0.28 -1.72 0.00 0.00 179.24 177.75 2put h SER 458 N 0.22 0.96 -0.44 6.45 0.02 -1.78 -1.22 113.55 117.75 2put h SER 458 Ca 0.03 -0.42 -0.11 0.00 -0.84 0.00 0.00 61.79 60.45 2put h SER 458 Cb 0.60 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 2put h SER 458 CO 0.04 1.20 -0.16 0.40 -1.14 0.00 0.00 176.83 177.18 2put h ILE 459 N 0.75 1.27 -0.86 3.27 1.08 -0.73 -0.93 117.51 121.37 2put h ILE 459 Ca 0.07 -1.29 -0.03 0.00 -0.39 0.00 0.00 64.86 63.22 2put h ILE 459 Cb 0.93 1.17 -0.04 0.00 -3.07 0.00 0.00 36.82 35.82 2put h ILE 459 CO 0.09 0.44 0.43 -0.07 -0.69 0.00 0.00 178.15 178.35 2put h LEU 460 N 0.73 1.11 -0.55 1.44 3.38 -1.00 -1.49 115.31 118.92 2put h LEU 460 Ca 0.11 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2put h LEU 460 Cb 0.71 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2put h LEU 460 CO 0.05 0.93 0.03 0.00 0.09 0.00 0.00 178.44 179.54 2put h ALA 461 N 1.23 0.74 -0.40 1.53 0.00 -1.06 -1.85 119.26 119.45 2put h ALA 461 Ca 0.30 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2put h ALA 461 Cb 0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2put h ALA 461 CO -0.04 0.54 0.18 1.25 0.00 0.00 0.00 179.25 181.18 2put h LEU 462 N 0.84 0.24 -0.63 0.00 5.85 -0.84 -1.32 115.31 119.43 2put h LEU 462 Ca 0.16 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 2put h LEU 462 Cb 0.49 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 2put h LEU 462 CO 0.02 0.18 0.30 1.56 -0.34 0.00 0.00 178.44 180.16 2put h GLN 463 N 0.36 0.92 -0.28 1.25 1.08 -1.11 0.17 115.11 117.50 2put h GLN 463 Ca 0.18 -0.14 0.06 0.00 -1.45 0.00 0.00 58.65 57.30 2put h GLN 463 Cb 0.11 -0.16 -0.06 0.00 -0.05 0.00 0.00 27.48 27.32 2put h GLN 463 CO -0.15 0.74 -0.11 -0.92 -0.95 0.00 0.00 178.83 177.44 2put h TYR 464 N 0.87 -0.27 -0.41 2.96 5.03 -1.14 -0.92 116.97 123.10 2put h TYR 464 Ca 0.22 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.45 2put h TYR 464 Cb 0.13 0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.56 2put h TYR 464 CO 0.00 -0.18 -0.15 0.00 -1.32 0.00 0.00 178.16 176.51 2put h LEU 466 N 0.64 -0.16 -1.33 0.00 3.38 -0.48 -2.01 115.31 115.35 2put h LEU 466 Ca 0.10 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2put h LEU 466 Cb 0.70 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2put h LEU 466 CO 0.05 -0.08 0.00 1.05 0.09 0.00 0.00 178.44 179.55 2put h GLU 467 N -0.09 0.00 -0.09 1.13 4.11 -1.17 -1.63 114.58 116.84 2put h GLU 467 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 2put h GLU 467 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2put h GLU 467 CO -0.06 0.00 0.00 0.54 0.07 0.00 0.00 179.01 179.56 2put n ARG 468 N -2.41 2.07 -0.55 1.06 1.74 -0.78 -4.95 116.66 112.85 2put n ARG 468 Ca -0.00 -1.57 0.00 0.00 -0.77 0.00 0.00 57.85 55.51 2put n ARG 468 Cb 0.13 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 2put n ARG 468 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2put n GLY 469 N 1.29 0.75 3.77 -0.13 0.00 -0.61 -3.68 105.19 106.57 2put n GLY 469 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2put n GLY 469 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2put s ALA 470 N -2.44 2.62 0.13 4.61 0.00 -1.02 -4.21 121.76 121.45 2put s ALA 470 Ca 0.00 0.69 -0.30 0.00 0.00 0.00 0.00 51.96 52.35 2put s ALA 470 Cb 0.00 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 19.72 2put s ALA 470 CO 0.00 -0.95 0.98 -1.17 0.00 0.00 0.00 175.76 174.62 2put s LEU 471 N -4.22 4.51 0.03 0.00 2.96 -0.86 -4.68 118.68 116.42 2put s LEU 471 Ca 0.70 1.85 0.08 0.00 -0.22 0.00 0.00 54.13 56.54 2put s LEU 471 Cb -0.22 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.85 2put s LEU 471 CO 0.33 -0.06 -0.24 0.42 -1.32 0.00 0.00 176.35 175.48 2put s THR 472 N -0.15 1.90 -0.04 3.68 -4.23 -1.26 -0.75 115.64 114.79 2put s THR 472 Ca 0.47 -1.23 0.01 0.00 -1.18 0.00 0.00 61.69 59.76 2put s THR 472 Cb -0.24 -1.62 0.02 0.00 1.34 0.00 0.00 72.50 72.00 2put s THR 472 CO 0.31 0.35 -0.04 -0.69 -0.54 0.00 0.00 174.62 174.00 2put s VAL 473 N -0.74 0.45 -0.08 2.29 1.01 -0.04 -1.88 120.40 121.40 2put s VAL 473 Ca 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 2put s VAL 473 Cb -0.09 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 2put s VAL 473 CO 0.01 0.20 -0.00 -0.83 0.00 0.00 0.00 175.10 174.48 2put s GLY 474 N 0.80 1.84 -0.40 4.51 0.00 0.29 0.08 107.32 114.45 2put s GLY 474 Ca -0.10 -0.82 0.03 0.00 0.00 0.00 0.00 44.72 43.83 2put s GLY 474 CO -0.00 -0.59 0.14 -0.42 0.00 0.00 0.00 173.10 172.23 2put s ILE 475 N -0.89 2.09 0.03 0.90 -1.09 0.99 -1.11 121.20 122.12 2put s ILE 475 Ca 0.14 -2.55 0.04 0.00 -2.23 0.00 0.00 60.65 56.05 2put s ILE 475 Cb -0.11 -2.51 -0.02 0.00 -1.58 0.00 0.00 42.46 38.24 2put s ILE 475 CO 0.03 -0.70 -0.13 -0.69 -1.23 0.00 0.00 174.94 172.22 2put s VAL 476 N 0.57 0.98 -0.22 2.92 1.01 -0.82 -1.36 120.40 123.47 2put s VAL 476 Ca 0.13 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 61.02 2put s VAL 476 Cb -0.22 -0.90 -0.18 0.00 0.00 0.00 0.00 36.38 35.09 2put s VAL 476 CO -0.07 -0.00 0.09 -3.20 0.00 0.00 0.00 175.10 171.92 2put n ASN 477 N 2.01 1.90 -4.58 3.32 5.15 -1.06 -1.48 115.26 120.53 2put n ASN 477 Ca -0.18 0.38 -0.42 0.00 -0.60 0.00 0.00 54.58 53.77 2put n ASN 477 Cb 0.55 -0.92 -0.03 0.00 -0.53 0.00 0.00 39.78 38.85 2put n ASN 477 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2put s SER 478 N -7.00 5.98 0.20 1.20 0.15 -0.66 -4.66 113.70 108.90 2put s SER 478 Ca -0.31 0.63 -0.31 0.00 0.70 0.00 0.00 55.95 56.66 2put s SER 478 Cb 0.08 -2.54 -0.10 0.00 -1.71 0.00 0.00 66.02 61.75 2put s SER 478 CO 0.58 -1.76 1.55 -0.69 1.20 0.00 0.00 173.24 174.12 2put s VAL 479 N 6.60 2.53 0.00 4.45 1.01 -1.26 -2.51 120.40 131.22 2put s VAL 479 Ca 0.63 0.40 0.00 0.00 0.00 0.00 0.00 61.98 63.01 2put s VAL 479 Cb -0.14 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2put s VAL 479 CO 0.28 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.03 2put n GLY 480 N 3.22 0.46 3.66 4.51 0.00 -1.26 -5.02 105.19 110.76 2put n GLY 480 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2put n GLY 480 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2put s SER 481 N -2.15 2.17 0.21 1.61 1.04 -1.05 -4.65 113.70 110.88 2put s SER 481 Ca 0.00 0.98 -0.10 0.00 0.48 0.00 0.00 55.95 57.31 2put s SER 481 Cb 0.00 -1.52 0.27 0.00 0.10 0.00 0.00 66.02 64.88 2put s SER 481 CO 0.00 -3.39 1.71 0.28 0.98 0.00 0.00 173.24 172.82 2put h SER 482 N -2.07 0.02 -0.15 7.02 0.02 -1.84 0.02 113.55 116.55 2put h SER 482 Ca -0.52 0.11 -0.11 0.00 -0.84 0.00 0.00 61.79 60.43 2put h SER 482 Cb 1.32 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.99 2put h SER 482 CO 0.52 0.02 -0.26 0.24 -1.14 0.00 0.00 176.83 176.20 2put h MET 483 N 0.26 0.62 -0.29 3.45 2.07 -1.41 -1.19 114.93 118.45 2put h MET 483 Ca 0.30 -0.25 -0.08 0.00 -2.07 0.00 0.00 59.70 57.60 2put h MET 483 Cb 0.44 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 30.13 2put h MET 483 CO -0.38 0.82 -0.15 1.03 1.07 0.00 0.00 176.91 179.30 2put h SER 484 N 0.54 0.63 -0.50 1.22 0.87 -1.55 -2.47 113.55 112.29 2put h SER 484 Ca 0.07 -0.41 -0.05 0.00 -1.23 0.00 0.00 61.79 60.17 2put h SER 484 Cb 0.73 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 2put h SER 484 CO 0.06 0.91 0.12 0.03 -0.53 0.00 0.00 176.83 177.41 2put h ARG 485 N 0.35 0.80 0.00 2.24 3.08 -0.80 -3.31 114.38 116.74 2put h ARG 485 Ca 0.06 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.82 2put h ARG 485 Cb 0.67 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 2put h ARG 485 CO 0.04 0.77 -0.80 1.96 -1.07 0.00 0.00 179.97 180.88 2put h GLN 486 N 0.68 0.00 -7.18 0.04 4.20 -1.21 -3.45 115.11 108.21 2put h GLN 486 Ca 0.16 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.36 2put h GLN 486 Cb 0.33 0.00 0.09 0.00 0.30 0.00 0.00 27.48 28.20 2put h GLN 486 CO 0.00 0.33 0.39 0.95 -0.67 0.00 0.00 178.83 179.83 2put s THR 487 N -3.02 3.29 0.14 -0.54 -4.23 -0.93 -4.96 115.64 105.39 2put s THR 487 Ca 0.02 0.64 -0.14 0.00 -1.18 0.00 0.00 61.69 61.03 2put s THR 487 Cb 0.08 -3.17 0.01 0.00 1.34 0.00 0.00 72.50 70.76 2put s THR 487 CO 0.76 -0.33 1.62 0.45 -0.54 0.00 0.00 174.62 176.59 2put h HIS 488 N 0.32 0.82 -3.72 3.99 3.86 -1.68 -3.47 115.15 115.26 2put h HIS 488 Ca -0.47 -0.11 -0.17 0.00 -1.16 0.00 0.00 60.37 58.45 2put h HIS 488 Cb 1.25 -0.22 -0.06 0.00 1.06 0.00 0.00 27.41 29.44 2put h HIS 488 CO 0.54 0.76 -0.04 0.00 0.86 0.00 0.00 177.93 180.05 2put n GLY 490 N -0.53 -1.33 3.00 0.00 0.00 -1.24 -0.54 105.19 104.54 2put n GLY 490 Ca -0.02 -1.01 -0.28 0.00 0.00 0.00 0.00 46.02 44.70 2put n GLY 490 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2put s VAL 491 N -2.97 1.37 -0.15 1.61 1.01 -0.26 -4.14 120.40 116.87 2put s VAL 491 Ca 0.00 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 2put s VAL 491 Cb 0.00 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 2put s VAL 491 CO 0.00 0.42 0.98 -1.00 0.00 0.00 0.00 175.10 175.50 2put s HIS 492 N 1.36 3.45 -0.58 5.22 0.09 -1.26 -1.95 115.29 121.62 2put s HIS 492 Ca 0.01 1.50 0.25 0.00 -0.00 0.00 0.00 55.06 56.82 2put s HIS 492 Cb -0.13 -3.18 0.89 0.00 -0.00 0.00 0.00 32.58 30.16 2put s HIS 492 CO -0.07 -0.30 1.75 -0.84 -0.00 0.00 0.00 174.74 175.29 2put h ILE 493 N 5.21 0.00 -5.90 0.60 3.07 -1.53 -3.48 117.51 115.48 2put h ILE 493 Ca -0.27 -0.39 -0.41 0.00 1.55 0.00 0.00 64.86 65.33 2put h ILE 493 Cb 1.12 1.28 0.12 0.00 -0.27 0.00 0.00 36.82 39.07 2put h ILE 493 CO 0.89 0.00 -0.70 0.59 -1.05 0.00 0.00 178.15 177.88 2put n ASN 494 N -2.32 -5.86 0.09 2.16 3.02 -1.26 -3.96 115.26 107.13 2put n ASN 494 Ca 0.04 -0.58 0.13 0.00 -0.03 0.00 0.00 54.58 54.13 2put n ASN 494 Cb 0.35 -4.87 0.30 0.00 -0.61 0.00 0.00 39.78 34.95 2put n ASN 494 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2put n ALA 495 N -4.91 2.55 0.00 5.41 0.00 -1.26 -3.96 120.51 118.33 2put n ALA 495 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2put n ALA 495 Cb 0.56 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2put n ALA 495 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2put n GLY 496 N 1.32 -1.61 3.72 0.00 0.00 -1.26 -4.80 105.19 102.56 2put n GLY 496 Ca 0.05 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 2put n GLY 496 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2put n PRO 497 N -1.82 1.97 -3.91 1.61 -0.04 -1.26 -4.99 135.00 126.57 2put n PRO 497 Ca 0.00 0.71 -0.35 0.00 -0.04 0.00 0.00 63.50 63.81 2put n PRO 497 Cb 0.00 -2.48 -0.14 0.00 -0.04 0.00 0.00 33.50 30.84 2put n PRO 497 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2put s GLU 498 N -2.39 2.72 -0.15 0.54 2.12 -1.26 -4.97 118.70 115.32 2put s GLU 498 Ca 0.63 -1.07 0.17 0.00 0.36 0.00 0.00 54.97 55.07 2put s GLU 498 Cb -0.47 -3.12 -0.25 0.00 0.26 0.00 0.00 34.13 30.55 2put s GLU 498 CO 0.56 -0.49 0.24 -0.89 -0.54 0.00 0.00 175.26 174.14 2put n ILE 499 N 4.69 1.33 -1.47 -3.70 -0.00 -1.26 -4.96 119.36 113.99 2put n ILE 499 Ca -0.15 -0.82 -0.36 0.00 -0.00 0.00 0.00 62.75 61.42 2put n ILE 499 Cb 0.46 -0.55 0.08 0.00 -0.00 0.00 0.00 39.64 39.63 2put n ILE 499 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2put n GLY 500 N 1.66 -0.24 0.18 7.39 0.00 -1.26 -4.90 105.19 108.03 2put n GLY 500 Ca -0.27 -0.27 0.05 0.00 0.00 0.00 0.00 46.02 45.53 2put n GLY 500 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2put h VAL 501 N 0.00 0.87 -3.40 1.61 -1.51 -1.83 -3.44 116.25 108.54 2put h VAL 501 Ca -0.48 -1.59 -0.65 0.00 -1.23 0.00 0.00 66.70 62.74 2put h VAL 501 Cb 1.34 1.98 -0.13 0.00 -2.13 0.00 0.00 31.29 32.35 2put h VAL 501 CO 0.49 0.38 -0.68 0.00 -1.23 0.00 0.00 177.57 176.53 2put s ALA 502 N -3.53 3.22 -0.06 5.19 0.00 -1.26 -5.09 121.76 120.23 2put s ALA 502 Ca 0.01 -1.13 -0.29 0.00 0.00 0.00 0.00 51.96 50.54 2put s ALA 502 Cb 0.11 -1.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 2put s ALA 502 CO 0.69 0.69 0.98 0.45 0.00 0.00 0.00 175.76 178.57 2put s SER 503 N -2.23 7.28 0.00 0.00 0.15 -1.26 -4.89 113.70 112.75 2put s SER 503 Ca 0.24 1.56 0.00 0.00 0.70 0.00 0.00 55.95 58.46 2put s SER 503 Cb -0.12 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2put s SER 503 CO 0.17 -0.36 0.00 0.35 1.20 0.00 0.00 173.24 174.60 2put n THR 504 N 4.27 0.00 0.25 6.45 -2.24 -1.26 -4.67 114.28 117.08 2put n THR 504 Ca 0.07 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.97 2put n THR 504 Cb 0.50 -0.43 0.68 0.00 -2.10 0.00 0.00 70.33 68.98 2put n THR 504 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2put h LYS 505 N 0.00 0.00 -0.25 -0.78 2.10 -1.91 -1.48 116.57 114.25 2put h LYS 505 Ca 0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.54 2put h LYS 505 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 2put h LYS 505 CO 0.00 0.14 -0.30 0.00 -2.00 0.00 0.00 179.45 177.30 2put h ALA 506 N 1.86 1.03 0.16 0.07 0.00 -1.95 -1.12 119.26 119.31 2put h ALA 506 Ca -0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2put h ALA 506 Cb 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2put h ALA 506 CO 0.02 0.59 -0.08 -0.92 0.00 0.00 0.00 179.25 178.86 2put h TYR 507 N 0.44 -0.21 -0.10 0.00 3.20 -1.54 0.74 116.97 119.49 2put h TYR 507 Ca 0.06 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.79 2put h TYR 507 Cb 0.74 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 2put h TYR 507 CO 0.03 -0.07 -0.50 1.79 -1.64 0.00 0.00 178.16 177.77 2put h THR 508 N -0.29 1.34 -0.16 1.81 1.35 -1.45 -1.73 112.91 113.78 2put h THR 508 Ca -0.02 -1.74 -0.18 0.00 -0.55 0.00 0.00 66.41 63.93 2put h THR 508 Cb 0.23 1.82 -0.00 0.00 -1.73 0.00 0.00 68.15 68.46 2put h THR 508 CO 0.04 0.52 -0.62 0.28 -0.25 0.00 0.00 175.52 175.48 2put h SER 509 N 0.22 0.64 -0.01 5.36 0.02 -1.11 -1.25 113.55 117.41 2put h SER 509 Ca 0.01 -0.37 -0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2put h SER 509 Cb 0.96 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.31 2put h SER 509 CO 0.08 1.10 0.00 1.56 -1.14 0.00 0.00 176.83 178.44 2put h GLN 510 N 0.41 0.01 -0.30 3.45 4.20 -0.73 -0.62 115.11 121.54 2put h GLN 510 Ca -0.01 -0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.76 2put h GLN 510 Cb 1.19 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.91 2put h GLN 510 CO 0.12 0.15 -0.11 -0.92 -0.67 0.00 0.00 178.83 177.40 2put h TYR 511 N -0.13 -0.24 -0.39 2.96 5.03 -1.29 0.56 116.97 123.48 2put h TYR 511 Ca 0.00 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 2put h TYR 511 Cb 0.14 0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.56 2put h TYR 511 CO -0.03 -0.17 0.24 0.82 -1.32 0.00 0.00 178.16 177.70 2put h ILE 512 N -0.05 1.12 -0.99 1.81 2.04 -1.15 -1.06 117.51 119.23 2put h ILE 512 Ca 0.15 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.75 2put h ILE 512 Cb 0.27 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 2put h ILE 512 CO -0.33 0.12 0.66 0.00 0.00 0.00 0.00 178.15 178.60 2put h ALA 513 N 1.11 1.26 -0.63 1.87 0.00 -0.82 -1.04 119.26 121.02 2put h ALA 513 Ca 0.14 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2put h ALA 513 Cb -0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 2put h ALA 513 CO -0.03 0.65 0.07 -0.07 0.00 0.00 0.00 179.25 179.87 2put h LEU 514 N 1.35 1.01 -0.62 0.00 3.38 -0.50 0.69 115.31 120.61 2put h LEU 514 Ca 0.36 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2put h LEU 514 Cb -0.16 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.30 2put h LEU 514 CO -0.08 1.02 0.32 0.58 0.09 0.00 0.00 178.44 180.37 2put h VAL 515 N 0.97 1.21 -0.77 1.22 2.07 -0.93 -0.00 116.25 120.03 2put h VAL 515 Ca 0.19 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 2put h VAL 515 Cb 0.46 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2put h VAL 515 CO 0.02 0.23 0.26 0.24 0.02 0.00 0.00 177.57 178.34 2put h MET 516 N 0.85 1.18 -0.03 1.57 2.86 -0.80 -0.47 114.93 120.09 2put h MET 516 Ca 0.22 -0.24 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2put h MET 516 Cb 0.08 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 2put h MET 516 CO -0.03 0.99 -0.04 0.35 1.06 0.00 0.00 176.91 179.23 2put h PHE 517 N 1.13 -0.11 -0.85 -0.22 3.57 -0.55 -0.21 116.94 119.70 2put h PHE 517 Ca 0.25 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.85 2put h PHE 517 Cb 0.29 0.05 -0.07 0.00 2.79 0.00 0.00 35.95 39.00 2put h PHE 517 CO 0.02 -0.07 0.50 0.00 -2.23 0.00 0.00 178.31 176.53 2put h ALA 518 N 0.96 1.22 -0.65 2.41 0.00 -0.67 -0.35 119.26 122.17 2put h ALA 518 Ca 0.03 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2put h ALA 518 Cb 0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2put h ALA 518 CO -0.07 0.13 0.10 -0.07 0.00 0.00 0.00 179.25 179.34 2put h LEU 519 N 0.83 1.03 -0.58 0.00 3.38 -0.87 -2.81 115.31 116.30 2put h LEU 519 Ca 0.41 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 2put h LEU 519 Cb 0.36 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2put h LEU 519 CO -0.24 1.03 0.13 0.28 0.09 0.00 0.00 178.44 179.72 2put h SER 520 N 0.99 0.89 0.13 -0.43 0.02 -0.27 -2.25 113.55 112.62 2put h SER 520 Ca 0.20 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2put h SER 520 Cb 0.44 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 2put h SER 520 CO 0.01 0.90 -0.09 -0.07 -1.14 0.00 0.00 176.83 176.45 2put h LEU 521 N 0.84 0.00 -3.28 5.07 3.38 -1.02 -2.98 115.31 117.31 2put h LEU 521 Ca 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 2put h LEU 521 Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2put h LEU 521 CO 0.00 0.09 0.00 -1.54 0.09 0.00 0.00 178.44 177.08 2put n SER 522 N -4.17 3.72 0.00 -0.43 3.41 -0.91 -4.68 113.62 110.57 2put n SER 522 Ca -0.03 -3.12 0.14 0.00 -0.26 0.00 0.00 58.87 55.61 2put n SER 522 Cb 0.17 -0.56 0.81 0.00 -0.26 0.00 0.00 64.21 64.37 2put n SER 522 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2put n ASN 523 N -0.59 0.00 -0.91 4.04 0.23 -0.89 -2.94 115.26 114.20 2put n ASN 523 Ca 0.23 -0.74 0.08 0.00 -0.53 0.00 0.00 54.58 53.63 2put n ASN 523 Cb 0.92 -0.05 0.20 0.00 -2.08 0.00 0.00 39.78 38.77 2put n ASN 523 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2put n ASP 524 N -1.05 3.19 -4.64 0.53 2.03 -1.26 -4.96 116.55 110.39 2put n ASP 524 Ca 0.20 -1.94 -0.37 0.00 0.52 0.00 0.00 54.79 53.20 2put n ASP 524 Cb 0.12 -0.28 -0.10 0.00 -0.72 0.00 0.00 41.12 40.15 2put n ASP 524 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2put s SER 525 N -1.08 6.13 0.04 1.67 0.15 -1.15 -4.97 113.70 114.49 2put s SER 525 Ca 0.32 0.13 -0.21 0.00 0.70 0.00 0.00 55.95 56.89 2put s SER 525 Cb 0.17 -2.13 -0.14 0.00 -1.71 0.00 0.00 66.02 62.22 2put s SER 525 CO 0.23 0.01 1.39 0.40 1.20 0.00 0.00 173.24 176.47 2put h ILE 526 N 5.13 1.32 0.00 6.45 2.04 -1.92 -2.99 117.51 127.54 2put h ILE 526 Ca -0.37 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 64.34 2put h ILE 526 Cb 1.17 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 2put h ILE 526 CO 0.64 0.34 0.00 -1.54 0.00 0.00 0.00 178.15 177.58 2put n SER 527 N -4.63 0.58 -0.09 1.72 3.41 -1.26 -1.47 113.62 111.88 2put n SER 527 Ca -0.06 0.73 0.11 0.00 -0.26 0.00 0.00 58.87 59.39 2put n SER 527 Cb 0.31 -0.82 0.12 0.00 -0.26 0.00 0.00 64.21 63.56 2put n SER 527 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2put n ARG 528 N -2.24 0.26 -0.28 4.33 5.12 -1.13 -4.57 116.66 118.15 2put n ARG 528 Ca -0.00 -0.19 -0.03 0.00 -1.93 0.00 0.00 57.85 55.70 2put n ARG 528 Cb 0.09 -1.50 0.09 0.00 -1.16 0.00 0.00 32.46 29.98 2put n ARG 528 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 2put h LYS 529 N 0.45 0.96 -0.34 5.56 1.79 -1.25 0.20 116.57 123.95 2put h LYS 529 Ca 0.00 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.40 2put h LYS 529 Cb 0.53 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 2put h LYS 529 CO 0.00 0.64 0.15 0.78 -1.08 0.00 0.00 179.45 179.94 2put h GLY 530 N 0.99 0.53 0.96 3.86 0.00 -1.80 0.11 103.07 107.71 2put h GLY 530 Ca 0.31 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 2put h GLY 530 CO -0.10 0.26 0.19 -0.09 0.00 0.00 0.00 176.54 176.80 2put h ARG 531 N 0.40 0.67 -0.57 4.80 9.65 -1.76 -0.81 114.38 126.76 2put h ARG 531 Ca 0.11 -0.11 0.08 0.00 -1.10 0.00 0.00 59.98 58.96 2put h ARG 531 Cb 0.15 -0.11 -0.06 0.00 -1.39 0.00 0.00 29.97 28.55 2put h ARG 531 CO -0.01 0.60 0.23 0.45 2.80 0.00 0.00 179.97 184.04 2put h HIS 532 N 0.58 0.41 -0.41 2.20 3.86 -0.66 -0.87 115.15 120.27 2put h HIS 532 Ca 0.15 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.25 2put h HIS 532 Cb 0.17 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 2put h HIS 532 CO -0.00 0.14 -0.29 0.93 0.86 0.00 0.00 177.93 179.57 2put h GLU 533 N 0.43 0.90 -0.40 2.45 5.08 -0.74 -0.64 114.58 121.66 2put h GLU 533 Ca 0.27 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2put h GLU 533 Cb 0.29 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2put h GLU 533 CO -0.25 1.07 0.26 1.49 -1.00 0.00 0.00 179.01 180.58 2put h GLU 534 N 0.76 0.53 -0.28 2.33 4.81 -0.84 -0.83 114.58 121.06 2put h GLU 534 Ca 0.09 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 2put h GLU 534 Cb 0.86 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.11 2put h GLU 534 CO 0.08 0.35 -0.30 0.82 -0.73 0.00 0.00 179.01 179.23 2put h ILE 535 N 0.54 1.30 -0.66 2.32 2.04 -0.96 -1.93 117.51 120.16 2put h ILE 535 Ca 0.15 -1.48 -0.07 0.00 1.00 0.00 0.00 64.86 64.46 2put h ILE 535 Cb -0.06 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 2put h ILE 535 CO -0.03 0.47 0.14 0.40 0.00 0.00 0.00 178.15 179.12 2put h ILE 536 N 0.44 1.26 -0.64 -0.67 2.04 -0.97 0.79 117.51 119.75 2put h ILE 536 Ca 0.04 -0.99 -0.06 0.00 1.00 0.00 0.00 64.86 64.85 2put h ILE 536 Cb 0.87 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 2put h ILE 536 CO 0.07 0.37 0.15 0.11 0.00 0.00 0.00 178.15 178.86 2put h LYS 537 N 1.00 1.01 0.14 2.37 1.79 -1.13 -2.35 116.57 119.40 2put h LYS 537 Ca 0.21 -0.23 0.02 0.00 -2.18 0.00 0.00 60.65 58.46 2put h LYS 537 Cb 0.40 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.88 2put h LYS 537 CO 0.01 0.90 -0.27 0.78 -1.08 0.00 0.00 179.45 179.79 2put h GLY 538 N 1.05 -0.52 -0.10 3.86 0.00 -0.81 -3.04 103.07 103.51 2put h GLY 538 Ca 0.20 0.32 0.21 0.00 0.00 0.00 0.00 47.33 48.06 2put h GLY 538 CO 0.00 -0.23 0.44 1.41 0.00 0.00 0.00 176.54 178.16 2put h LEU 539 N -0.50 0.44 -1.80 3.11 3.38 -0.67 -0.96 115.31 118.31 2put h LEU 539 Ca 0.03 0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.18 2put h LEU 539 Cb 0.52 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2put h LEU 539 CO -0.14 0.07 0.22 -0.61 0.09 0.00 0.00 178.44 178.06 2put h GLN 540 N 0.48 0.25 0.00 1.13 4.15 -1.31 -2.19 115.11 117.62 2put h GLN 540 Ca 0.55 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.96 2put h GLN 540 Cb 1.00 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.64 2put h GLN 540 CO -0.48 0.16 -0.62 0.87 -1.93 0.00 0.00 178.83 176.83 2put h LYS 541 N 0.25 0.00 -0.50 1.69 1.79 -1.21 -3.39 116.57 115.20 2put h LYS 541 Ca 0.14 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.65 2put h LYS 541 Cb 0.23 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.84 2put h LYS 541 CO -0.03 0.00 0.26 0.82 -1.08 0.00 0.00 179.45 179.42 2put h ILE 542 N 0.00 0.97 -0.56 1.86 1.08 -0.98 -1.20 117.51 118.69 2put h ILE 542 Ca 0.00 -0.18 0.07 0.00 -0.39 0.00 0.00 64.86 64.36 2put h ILE 542 Cb 0.82 0.41 -0.06 0.00 -3.07 0.00 0.00 36.82 34.93 2put h ILE 542 CO 0.00 0.09 0.24 -0.65 -0.69 0.00 0.00 178.15 177.15 2put h PRO 543 N 0.51 0.44 -0.13 2.37 0.11 -1.77 0.11 132.00 133.66 2put h PRO 543 Ca 0.22 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.18 2put h PRO 543 Cb 0.12 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 2put h PRO 543 CO -0.15 0.29 -0.45 1.05 -0.21 0.00 0.00 178.00 178.54 2put h GLU 544 N 0.45 0.30 -0.19 1.05 4.11 -1.77 -2.47 114.58 116.06 2put h GLU 544 Ca 0.27 -0.16 -0.10 0.00 0.07 0.00 0.00 59.36 59.44 2put h GLU 544 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2put h GLU 544 CO -0.23 0.70 -0.31 1.96 0.07 0.00 0.00 179.01 181.19 2put h GLN 545 N 0.25 0.39 -0.53 1.06 4.20 -0.60 -1.78 115.11 118.10 2put h GLN 545 Ca 0.02 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 2put h GLN 545 Cb 0.89 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 2put h GLN 545 CO 0.07 0.66 0.21 0.82 -0.67 0.00 0.00 178.83 179.92 2put h ILE 546 N 0.34 1.22 -0.80 2.54 2.04 -0.50 -0.96 117.51 121.37 2put h ILE 546 Ca 0.04 -0.68 0.10 0.00 1.00 0.00 0.00 64.86 65.32 2put h ILE 546 Cb 0.72 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 37.40 2put h ILE 546 CO 0.05 0.26 0.45 0.11 0.00 0.00 0.00 178.15 179.02 2put h LYS 547 N 0.71 0.73 -0.45 2.37 1.57 -1.14 -0.48 116.57 119.87 2put h LYS 547 Ca 0.18 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2put h LYS 547 Cb 0.20 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2put h LYS 547 CO -0.01 0.48 0.29 1.96 -0.57 0.00 0.00 179.45 181.60 2put h GLN 548 N 0.75 0.60 -0.84 3.15 4.20 -0.80 -3.07 115.11 119.09 2put h GLN 548 Ca 0.39 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 59.03 2put h GLN 548 Cb 0.38 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 2put h GLN 548 CO -0.26 0.41 0.40 0.28 -0.67 0.00 0.00 178.83 179.00 2put h VAL 549 N 0.61 1.26 -0.19 -0.54 2.07 -0.20 -1.81 116.25 117.44 2put h VAL 549 Ca 0.16 -0.73 0.06 0.00 0.82 0.00 0.00 66.70 67.01 2put h VAL 549 Cb -0.05 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 2put h VAL 549 CO -0.03 0.31 0.20 -0.07 0.02 0.00 0.00 177.57 178.00 2put h LEU 550 N 1.20 0.00 -0.32 2.57 3.38 -1.03 -0.33 115.31 120.78 2put h LEU 550 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2put h LEU 550 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2put h LEU 550 CO -0.04 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.78 2put n LYS 551 N -3.85 0.03 0.00 1.13 5.02 -0.68 -1.93 118.16 117.88 2put n LYS 551 Ca 0.02 0.50 0.10 0.00 -2.02 0.00 0.00 58.31 56.92 2put n LYS 551 Cb 0.33 -1.61 0.50 0.00 -0.02 0.00 0.00 35.03 34.23 2put n LYS 551 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2put n LEU 552 N -1.68 0.00 -0.34 -0.35 4.77 -0.13 -4.24 117.00 115.04 2put n LEU 552 Ca 0.00 0.38 0.05 0.00 -0.03 0.00 0.00 56.01 56.40 2put n LEU 552 Cb 0.03 -0.38 0.20 0.00 -2.33 0.00 0.00 43.42 40.94 2put n LEU 552 CO 0.04 -0.11 1.20 -0.08 -1.33 0.00 0.00 177.39 177.11 2put h GLU 553 N 0.00 0.92 -0.10 3.23 4.81 -1.61 -1.42 114.58 120.41 2put h GLU 553 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2put h GLU 553 Cb 0.26 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2put h GLU 553 CO 0.00 0.61 0.07 -0.91 -0.73 0.00 0.00 179.01 178.04 2put h ASN 554 N 0.94 0.12 -0.79 1.04 4.21 -1.86 0.22 115.58 119.46 2put h ASN 554 Ca 0.45 -0.01 0.08 0.00 1.21 0.00 0.00 56.30 58.03 2put h ASN 554 Cb 0.39 -0.03 -0.07 0.00 -1.12 0.00 0.00 38.32 37.49 2put h ASN 554 CO -0.24 0.09 0.46 0.50 -1.29 0.00 0.00 177.43 176.95 2put h LYS 555 N 0.13 0.78 -0.24 0.81 3.64 -1.69 -1.54 116.57 118.46 2put h LYS 555 Ca 0.04 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2put h LYS 555 Cb -0.01 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 2put h LYS 555 CO -0.01 0.51 0.01 0.82 -2.27 0.00 0.00 179.45 178.52 2put h ILE 556 N 0.80 1.25 -0.42 2.00 2.04 -0.74 -0.96 117.51 121.48 2put h ILE 556 Ca 0.37 -0.86 0.08 0.00 1.00 0.00 0.00 64.86 65.45 2put h ILE 556 Cb 0.28 1.34 -0.08 0.00 -0.74 0.00 0.00 36.82 37.63 2put h ILE 556 CO -0.22 0.27 -0.07 0.11 0.00 0.00 0.00 178.15 178.24 2put h LYS 557 N 0.20 0.03 -0.08 2.37 1.57 -0.39 0.36 116.57 120.63 2put h LYS 557 Ca 0.07 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.88 2put h LYS 557 Cb 0.39 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 2put h LYS 557 CO 0.01 0.02 -0.16 -0.44 -0.57 0.00 0.00 179.45 178.31 2put h ASP 558 N 0.03 -0.47 -0.69 0.86 3.32 -1.16 -1.07 116.42 117.23 2put h ASP 558 Ca 0.20 0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.38 2put h ASP 558 Cb 0.31 0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.02 2put h ASP 558 CO -0.40 -0.21 0.42 0.25 -1.72 0.00 0.00 179.24 177.58 2put h LEU 559 N -0.22 0.67 -0.78 1.55 5.85 -0.62 -1.12 115.31 120.64 2put h LEU 559 Ca 0.08 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2put h LEU 559 Cb 0.33 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.23 2put h LEU 559 CO -0.21 0.45 0.00 0.00 -0.34 0.00 0.00 178.44 178.34 2put n ASN 561 N -2.34 1.81 -2.56 0.00 3.02 -0.44 -4.15 115.26 110.60 2put n ASN 561 Ca 0.02 -1.45 0.00 0.00 -0.03 0.00 0.00 54.58 53.12 2put n ASN 561 Cb 0.24 0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 2put n ASN 561 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2put n SER 562 N 0.17 -0.36 0.17 6.41 7.64 -0.69 -4.82 113.62 122.14 2put n SER 562 Ca 0.14 -0.51 0.12 0.00 1.01 0.00 0.00 58.87 59.62 2put n SER 562 Cb 0.43 0.00 0.62 0.00 -1.01 0.00 0.00 64.21 64.25 2put n SER 562 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2put h SER 563 N -0.36 0.00 -0.73 6.43 4.64 -1.92 -2.44 113.55 119.17 2put h SER 563 Ca 0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 2put h SER 563 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 2put h SER 563 CO 0.00 0.00 0.41 0.25 -0.87 0.00 0.00 176.83 176.62 2put h LEU 564 N 0.00 0.62 -1.62 5.97 5.85 -1.90 -2.90 115.31 121.33 2put h LEU 564 Ca 0.00 0.03 0.16 0.00 0.84 0.00 0.00 57.88 58.92 2put h LEU 564 Cb 0.02 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 2put h LEU 564 CO 0.00 0.39 0.52 -1.13 -0.34 0.00 0.00 178.44 177.87 2put h ASN 565 N 0.75 0.34 1.39 1.25 -1.24 -1.59 -2.37 115.58 114.10 2put h ASN 565 Ca 0.33 0.02 -0.11 0.00 0.71 0.00 0.00 56.30 57.25 2put h ASN 565 Cb 0.22 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.21 2put h ASN 565 CO -0.19 0.17 -0.62 0.44 -1.29 0.00 0.00 177.43 175.93 2put h ASP 566 N 0.36 0.00 -4.22 1.15 3.32 -1.71 -3.46 116.42 111.86 2put h ASP 566 Ca 0.38 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.91 2put h ASP 566 Cb 0.96 0.00 0.15 0.00 0.22 0.00 0.00 39.33 40.66 2put h ASP 566 CO -0.11 0.52 0.35 -1.10 -1.72 0.00 0.00 179.24 177.17 2put s GLN 567 N -2.95 2.15 0.00 3.56 -1.52 -0.90 -4.98 119.66 115.02 2put s GLN 567 Ca 0.03 1.55 0.14 0.00 -1.95 0.00 0.00 55.36 55.13 2put s GLN 567 Cb 0.08 -1.86 0.16 0.00 -0.22 0.00 0.00 33.01 31.17 2put s GLN 567 CO 0.76 -1.78 1.01 1.63 -0.25 0.00 0.00 175.29 176.65 2put n LYS 568 N -2.98 1.28 -3.50 2.91 5.02 -1.26 -5.01 118.16 114.61 2put n LYS 568 Ca 0.12 -1.48 -0.17 0.00 -2.02 0.00 0.00 58.31 54.76 2put n LYS 568 Cb 0.51 -1.28 -0.05 0.00 -0.02 0.00 0.00 35.03 34.19 2put n LYS 568 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2put s SER 569 N -1.12 -0.64 -0.10 4.39 0.15 -1.26 -2.65 113.70 112.47 2put s SER 569 Ca 0.18 0.58 -0.05 0.00 0.70 0.00 0.00 55.95 57.37 2put s SER 569 Cb 0.12 0.55 0.05 0.00 -1.71 0.00 0.00 66.02 65.03 2put s SER 569 CO 0.18 -0.68 0.23 -0.22 1.20 0.00 0.00 173.24 173.94 2put s LEU 570 N -1.49 0.45 -0.05 3.45 0.20 0.24 -4.17 118.68 117.31 2put s LEU 570 Ca -0.09 0.48 -0.03 0.00 0.69 0.00 0.00 54.13 55.18 2put s LEU 570 Cb -0.00 0.65 -0.04 0.00 -0.43 0.00 0.00 46.19 46.37 2put s LEU 570 CO 0.06 -0.17 0.11 -0.76 -0.29 0.00 0.00 176.35 175.31 2put s LEU 571 N 1.29 4.12 -0.08 -0.68 1.43 -0.61 -2.63 118.68 121.52 2put s LEU 571 Ca -0.09 0.29 0.05 0.00 -1.03 0.00 0.00 54.13 53.35 2put s LEU 571 Cb -0.11 -2.25 -0.00 0.00 0.03 0.00 0.00 46.19 43.86 2put s LEU 571 CO -0.08 0.32 -0.23 -0.76 0.23 0.00 0.00 176.35 175.84 2put s LEU 572 N -1.48 2.02 -0.14 1.79 1.02 -0.35 -1.00 118.68 120.54 2put s LEU 572 Ca 0.21 -0.50 -0.01 0.00 0.02 0.00 0.00 54.13 53.85 2put s LEU 572 Cb -0.12 -1.30 -0.02 0.00 0.02 0.00 0.00 46.19 44.77 2put s LEU 572 CO 0.11 0.18 -0.10 -0.76 0.02 0.00 0.00 176.35 175.79 2put s LEU 573 N 0.16 2.85 0.11 1.79 1.43 0.55 0.11 118.68 125.68 2put s LEU 573 Ca -0.12 -0.28 -0.18 0.00 -1.03 0.00 0.00 54.13 52.52 2put s LEU 573 Cb -0.16 -1.66 0.04 0.00 0.03 0.00 0.00 46.19 44.44 2put s LEU 573 CO 0.06 0.15 0.44 -0.83 0.23 0.00 0.00 176.35 176.40 2put s GLY 574 N 0.42 -0.33 0.08 -3.19 0.00 -0.78 -1.39 107.32 102.12 2put s GLY 574 Ca -0.08 0.12 -0.08 0.00 0.00 0.00 0.00 44.72 44.68 2put s GLY 574 CO 0.04 -0.15 0.16 -1.60 0.00 0.00 0.00 173.10 171.55 2put s ARG 575 N -3.51 0.79 6.54 2.90 3.52 -1.26 -1.19 118.95 126.75 2put s ARG 575 Ca 0.01 -0.94 0.00 0.00 -0.13 0.00 0.00 55.73 54.67 2put s ARG 575 Cb 0.01 0.32 0.00 0.00 -1.56 0.00 0.00 34.95 33.72 2put s ARG 575 CO -0.10 -0.24 0.00 0.41 -0.81 0.00 0.00 175.30 174.56 2put n GLY 576 N 0.08 2.89 0.46 8.12 0.00 -1.26 -1.84 105.19 113.64 2put n GLY 576 Ca -0.16 -0.33 0.28 0.00 0.00 0.00 0.00 46.02 45.82 2put n GLY 576 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2put h TYR 577 N 0.00 0.01 -0.09 1.61 0.05 -1.94 -2.45 116.97 114.16 2put h TYR 577 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2put h TYR 577 Cb 0.00 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2put h TYR 577 CO 0.00 0.00 0.00 1.04 -1.05 0.00 0.00 178.16 178.15 2put n GLN 578 N -4.27 2.14 -0.10 4.88 1.13 -0.77 -4.04 117.38 116.34 2put n GLN 578 Ca 0.18 -1.66 -0.10 0.00 -1.94 0.00 0.00 57.00 53.48 2put n GLN 578 Cb 0.95 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 29.81 2put n GLN 578 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 2put h PHE 579 N 3.87 0.48 -0.79 1.08 3.57 -1.43 -1.60 116.94 122.12 2put h PHE 579 Ca 0.00 -0.04 0.13 0.00 3.53 0.00 0.00 57.97 61.59 2put h PHE 579 Cb 0.83 -0.14 -0.09 0.00 2.79 0.00 0.00 35.95 39.34 2put h PHE 579 CO 0.04 0.48 0.38 0.00 -2.23 0.00 0.00 178.31 176.99 2put h ALA 580 N 0.94 1.15 -0.86 2.41 0.00 -1.77 -1.14 119.26 119.99 2put h ALA 580 Ca 0.10 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2put h ALA 580 Cb 0.22 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2put h ALA 580 CO -0.00 -0.11 0.42 1.15 0.00 0.00 0.00 179.25 180.70 2put h THR 581 N 0.57 1.26 -0.41 0.00 2.02 -1.69 0.20 112.91 114.87 2put h THR 581 Ca 0.42 -0.73 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 2put h THR 581 Cb 0.58 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 2put h THR 581 CO -0.35 0.31 0.19 0.00 0.37 0.00 0.00 175.52 176.04 2put h ALA 582 N 1.23 0.52 -0.80 6.16 0.00 -0.43 0.41 119.26 126.36 2put h ALA 582 Ca 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2put h ALA 582 Cb 0.11 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2put h ALA 582 CO -0.04 0.10 0.51 -0.07 0.00 0.00 0.00 179.25 179.74 2put h LEU 583 N 0.52 0.94 -0.43 0.00 3.38 -1.02 -1.04 115.31 117.65 2put h LEU 583 Ca 0.14 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 2put h LEU 583 Cb 0.13 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2put h LEU 583 CO -0.02 0.70 -0.18 -0.08 0.09 0.00 0.00 178.44 178.96 2put h GLU 584 N 1.09 0.89 -0.51 1.13 4.57 -0.75 -1.56 114.58 119.44 2put h GLU 584 Ca 0.29 -0.38 0.04 0.00 -1.18 0.00 0.00 59.36 58.13 2put h GLU 584 Cb -0.08 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.43 2put h GLU 584 CO -0.06 1.02 0.28 0.78 -1.18 0.00 0.00 179.01 179.85 2put h GLY 585 N 0.72 0.73 1.00 1.92 0.00 -0.72 -1.28 103.07 105.43 2put h GLY 585 Ca 0.10 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 2put h GLY 585 CO 0.06 0.14 0.41 0.00 0.00 0.00 0.00 176.54 177.15 2put h ALA 586 N 1.26 0.84 -0.65 3.60 0.00 -1.08 -0.39 119.26 122.83 2put h ALA 586 Ca 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2put h ALA 586 Cb 0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2put h ALA 586 CO -0.13 0.30 0.37 1.25 0.00 0.00 0.00 179.25 181.03 2put h LEU 587 N 0.89 0.81 -0.49 0.00 5.85 -0.98 -1.03 115.31 120.36 2put h LEU 587 Ca 0.24 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 2put h LEU 587 Cb -0.05 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 2put h LEU 587 CO -0.05 0.66 0.17 0.11 -0.34 0.00 0.00 178.44 179.00 2put h LYS 588 N 0.89 0.75 -0.29 1.25 1.79 -0.90 0.25 116.57 120.31 2put h LYS 588 Ca 0.23 -0.15 -0.01 0.00 -2.18 0.00 0.00 60.65 58.54 2put h LYS 588 Cb 0.03 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 2put h LYS 588 CO -0.04 0.69 0.13 0.82 -1.08 0.00 0.00 179.45 179.97 2put h ILE 589 N 0.65 1.16 -0.10 1.86 2.04 -0.91 0.12 117.51 122.34 2put h ILE 589 Ca 0.16 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 2put h ILE 589 Cb 0.24 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2put h ILE 589 CO -0.01 0.17 0.05 0.11 0.00 0.00 0.00 178.15 178.47 2put h LYS 590 N 0.33 0.15 0.00 2.37 1.57 -1.06 -1.07 116.57 118.86 2put h LYS 590 Ca 0.10 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.70 2put h LYS 590 Cb 0.14 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2put h LYS 590 CO -0.01 0.21 -0.75 0.93 -0.57 0.00 0.00 179.45 179.25 2put h GLU 591 N 0.05 0.00 0.00 3.15 5.08 -0.40 -3.05 114.58 119.42 2put h GLU 591 Ca 0.04 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.03 2put h GLU 591 Cb 0.11 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 2put h GLU 591 CO -0.00 0.75 -2.21 -0.89 -1.00 0.00 0.00 179.01 175.65 2put n ILE 592 N -3.31 1.40 0.96 3.13 2.08 0.02 -4.60 119.36 119.03 2put n ILE 592 Ca 0.01 -0.28 0.13 0.00 0.56 0.00 0.00 62.75 63.16 2put n ILE 592 Cb 0.83 -1.91 0.35 0.00 -0.75 0.00 0.00 39.64 38.16 2put n ILE 592 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 2put n SER 593 N -4.17 0.38 -3.68 4.38 7.64 -0.47 -4.74 113.62 112.97 2put n SER 593 Ca -0.45 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.19 2put n SER 593 Cb 0.80 0.01 0.06 0.00 -1.01 0.00 0.00 64.21 64.08 2put n SER 593 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2put n TYR 594 N -1.57 -2.55 -4.46 1.43 4.02 -0.82 -4.74 117.16 108.48 2put n TYR 594 Ca 0.06 0.96 -0.25 0.00 -0.01 0.00 0.00 57.90 58.66 2put n TYR 594 Cb 0.35 -4.69 -0.13 0.00 -0.02 0.00 0.00 39.34 34.84 2put n TYR 594 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 2put s MET 595 N -6.25 1.27 0.21 -0.72 1.75 -1.16 -5.02 119.30 109.38 2put s MET 595 Ca 0.48 -1.08 -0.30 0.00 -1.25 0.00 0.00 55.69 53.54 2put s MET 595 Cb -0.22 -1.49 -0.09 0.00 2.84 0.00 0.00 34.83 35.87 2put s MET 595 CO 0.77 0.36 1.40 -1.58 -0.65 0.00 0.00 175.02 175.31 2put s HIS 596 N -1.00 3.13 -0.03 4.11 2.46 -1.09 -3.40 115.29 119.48 2put s HIS 596 Ca 0.07 1.06 -0.11 0.00 0.47 0.00 0.00 55.06 56.56 2put s HIS 596 Cb -0.09 -3.73 0.02 0.00 -0.13 0.00 0.00 32.58 28.64 2put s HIS 596 CO 0.03 -2.40 0.24 0.45 -2.47 0.00 0.00 174.74 170.60 2put s SER 597 N 0.48 -0.15 -0.01 9.88 0.15 -1.26 -0.59 113.70 122.20 2put s SER 597 Ca 0.60 0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.37 2put s SER 597 Cb -0.39 0.34 0.01 0.00 -1.71 0.00 0.00 66.02 64.27 2put s SER 597 CO 0.39 -0.32 -0.00 -0.70 1.20 0.00 0.00 173.24 173.80 2put s GLU 598 N -0.93 0.15 -0.14 5.44 2.12 -1.08 -4.88 118.70 119.38 2put s GLU 598 Ca -0.10 0.01 -0.19 0.00 0.36 0.00 0.00 54.97 55.06 2put s GLU 598 Cb -0.05 -0.24 -0.04 0.00 0.26 0.00 0.00 34.13 34.06 2put s GLU 598 CO 0.02 -0.04 0.50 0.20 -0.54 0.00 0.00 175.26 175.40 2put s GLY 599 N 0.41 2.31 -0.10 -1.50 0.00 -1.26 -1.21 107.32 105.96 2put s GLY 599 Ca -0.04 -0.23 0.03 0.00 0.00 0.00 0.00 44.72 44.48 2put s GLY 599 CO -0.01 0.89 -0.21 0.14 0.00 0.00 0.00 173.10 173.90 2put s VAL 600 N 0.94 2.31 -0.32 1.40 1.01 0.12 -4.83 120.40 121.02 2put s VAL 600 Ca 0.26 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 2put s VAL 600 Cb -0.15 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 2put s VAL 600 CO 0.10 0.55 1.72 -0.22 0.00 0.00 0.00 175.10 177.26 2put s LEU 601 N 0.28 3.58 0.08 3.92 2.96 -1.26 -1.87 118.68 126.37 2put s LEU 601 Ca -0.15 1.31 -0.31 0.00 -0.22 0.00 0.00 54.13 54.75 2put s LEU 601 Cb -0.17 -3.53 -0.09 0.00 0.50 0.00 0.00 46.19 42.90 2put s LEU 601 CO 0.08 -1.60 1.71 0.00 -1.32 0.00 0.00 176.35 175.22 2put s ALA 602 N 6.41 3.70 -0.19 5.97 0.00 -0.33 -2.18 121.76 135.14 2put s ALA 602 Ca 0.76 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.99 2put s ALA 602 Cb -0.22 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.18 2put s ALA 602 CO 0.33 -1.15 0.00 0.41 0.00 0.00 0.00 175.76 175.35 2put n GLY 603 N 4.07 0.42 0.12 0.00 0.00 -1.25 -4.32 105.19 104.25 2put n GLY 603 Ca 0.16 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 2put n GLY 603 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2put h GLU 604 N 0.44 -0.20 -5.08 1.61 4.57 -1.76 -3.41 114.58 110.74 2put h GLU 604 Ca -0.04 0.01 -0.63 0.00 -1.18 0.00 0.00 59.36 57.53 2put h GLU 604 Cb 0.50 0.05 -0.16 0.00 -0.16 0.00 0.00 28.75 28.97 2put h GLU 604 CO 0.05 0.07 -0.54 -0.51 -1.18 0.00 0.00 179.01 176.90 2put s LEU 605 N -9.67 3.94 0.26 1.64 1.43 -1.26 -4.97 118.68 110.05 2put s LEU 605 Ca -0.15 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 2put s LEU 605 Cb 0.03 -2.05 0.35 0.00 0.03 0.00 0.00 46.19 44.55 2put s LEU 605 CO 0.62 0.05 1.70 0.11 0.23 0.00 0.00 176.35 179.07 2put h LYS 606 N 7.59 0.56 -1.22 1.70 1.57 -2.01 -3.27 116.57 121.50 2put h LYS 606 Ca -0.37 -0.21 -0.54 0.00 -1.87 0.00 0.00 60.65 57.65 2put h LYS 606 Cb 1.17 -0.03 -0.42 0.00 0.08 0.00 0.00 32.23 33.03 2put h LYS 606 CO 0.64 0.76 -0.82 0.72 -0.57 0.00 0.00 179.45 180.18 2put n HIS 607 N -4.12 2.93 -0.57 -1.35 8.25 -1.26 -4.64 115.22 114.46 2put n HIS 607 Ca -0.00 -2.81 0.00 0.00 -0.26 0.00 0.00 57.72 54.65 2put n HIS 607 Cb 0.41 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.34 2put n HIS 607 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2put n GLY 608 N -0.50 1.60 0.36 -1.41 0.00 -1.23 -4.85 105.19 99.15 2put n GLY 608 Ca 0.36 -1.75 0.19 0.00 0.00 0.00 0.00 46.02 44.82 2put n GLY 608 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2put h ILE 609 N 0.00 0.52 0.00 -0.61 2.10 -1.95 -2.11 117.51 115.46 2put h ILE 609 Ca 0.00 -0.18 -0.01 0.00 1.08 0.00 0.00 64.86 65.74 2put h ILE 609 Cb 0.00 -0.06 -0.00 0.00 -1.09 0.00 0.00 36.82 35.66 2put h ILE 609 CO 0.00 0.10 -0.05 -0.07 -1.08 0.00 0.00 178.15 177.04 2put h LEU 610 N 0.54 0.00 -0.04 2.19 3.38 -1.91 0.75 115.31 120.21 2put h LEU 610 Ca 0.64 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.61 2put h LEU 610 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2put h LEU 610 CO -0.45 0.05 -0.02 0.00 0.09 0.00 0.00 178.44 178.11 2put n ALA 611 N -2.34 2.56 -0.01 1.53 0.00 -0.79 -3.91 120.51 117.54 2put n ALA 611 Ca -0.03 -0.17 0.01 0.00 0.00 0.00 0.00 53.44 53.25 2put n ALA 611 Cb 0.14 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.08 2put n ALA 611 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2put n LEU 612 N -1.19 0.00 -4.66 0.00 4.77 0.15 -5.04 117.00 111.02 2put n LEU 612 Ca 0.16 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.72 2put n LEU 612 Cb 0.23 0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.37 2put n LEU 612 CO 0.23 0.04 0.77 1.33 -1.33 0.00 0.00 177.39 178.43 2put n VAL 613 N -1.86 2.38 -2.20 4.08 0.24 -0.58 -4.97 118.33 115.42 2put n VAL 613 Ca -0.04 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.34 61.39 2put n VAL 613 Cb 0.32 -1.40 -0.00 0.00 -1.47 0.00 0.00 33.84 31.28 2put n VAL 613 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2put s ASP 614 N -0.56 6.10 0.26 -1.34 2.15 -1.26 -4.92 116.67 117.10 2put s ASP 614 Ca 0.60 2.37 0.12 0.00 0.43 0.00 0.00 52.55 56.07 2put s ASP 614 Cb -0.55 -2.61 0.87 0.00 -0.30 0.00 0.00 42.92 40.33 2put s ASP 614 CO 0.59 -0.97 1.15 1.21 -0.17 0.00 0.00 175.17 176.98 2put n GLU 615 N -0.49 -0.05 -0.22 4.34 2.13 -1.26 -1.49 120.64 123.60 2put n GLU 615 Ca 0.07 1.03 0.10 0.00 0.66 0.00 0.00 57.16 59.02 2put n GLU 615 Cb 0.47 -1.80 0.21 0.00 0.27 0.00 0.00 31.44 30.60 2put n GLU 615 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2put n ASP 616 N -4.75 3.34 -4.70 4.31 8.00 -1.26 -3.97 116.55 117.51 2put n ASP 616 Ca 0.25 -1.95 -0.42 0.00 0.71 0.00 0.00 54.79 53.38 2put n ASP 616 Cb 0.84 -0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 41.62 2put n ASP 616 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2put s LEU 617 N -1.17 4.36 0.08 0.64 2.96 -0.56 -4.95 118.68 120.05 2put s LEU 617 Ca 0.35 2.50 -0.31 0.00 -0.22 0.00 0.00 54.13 56.46 2put s LEU 617 Cb 0.20 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 43.23 2put s LEU 617 CO 0.26 -0.83 1.44 -2.84 -1.32 0.00 0.00 176.35 173.07 2put s PRO 618 N 1.84 4.28 -0.07 0.98 0.02 -1.26 -4.78 135.00 136.01 2put s PRO 618 Ca 0.71 2.10 0.01 0.00 0.02 0.00 0.00 61.00 63.83 2put s PRO 618 Cb -0.41 -3.40 0.02 0.00 0.02 0.00 0.00 34.50 30.74 2put s PRO 618 CO 0.31 -0.54 -0.06 0.42 -0.33 0.00 0.00 177.00 176.81 2put s ILE 619 N 1.74 0.75 -0.17 2.83 1.01 -1.26 -1.57 121.20 124.53 2put s ILE 619 Ca 0.66 -0.20 -0.07 0.00 0.00 0.00 0.00 60.65 61.05 2put s ILE 619 Cb -0.36 -0.76 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 2put s ILE 619 CO 0.29 0.29 0.05 -0.63 0.00 0.00 0.00 174.94 174.94 2put s ILE 620 N 1.18 4.67 -0.07 2.92 1.01 -0.17 -0.30 121.20 130.44 2put s ILE 620 Ca -0.06 -0.08 0.05 0.00 0.00 0.00 0.00 60.65 60.56 2put s ILE 620 Cb -0.14 -3.09 -0.01 0.00 0.01 0.00 0.00 42.46 39.23 2put s ILE 620 CO -0.01 0.48 -0.23 0.00 0.00 0.00 0.00 174.94 175.17 2put s ALA 621 N 0.21 2.23 -0.31 9.38 0.00 0.19 -0.33 121.76 133.12 2put s ALA 621 Ca 0.03 -1.02 -0.22 0.00 0.00 0.00 0.00 51.96 50.75 2put s ALA 621 Cb -0.12 -0.76 -0.00 0.00 0.00 0.00 0.00 23.12 22.23 2put s ALA 621 CO 0.01 0.38 0.73 -0.06 0.00 0.00 0.00 175.76 176.82 2put s PHE 622 N -0.04 3.20 -0.08 0.00 0.08 -0.49 -0.89 117.98 119.76 2put s PHE 622 Ca -0.07 0.71 0.21 0.00 0.12 0.00 0.00 56.93 57.90 2put s PHE 622 Cb -0.15 -3.16 0.43 0.00 -0.57 0.00 0.00 43.02 39.57 2put s PHE 622 CO 0.05 -0.55 1.19 0.00 -0.10 0.00 0.00 175.22 175.81 2put n ALA 623 N 6.11 2.84 -1.56 5.36 0.00 0.11 -4.79 120.51 128.57 2put n ALA 623 Ca 0.02 -2.70 -0.35 0.00 0.00 0.00 0.00 53.44 50.41 2put n ALA 623 Cb 0.48 -0.60 0.06 0.00 0.00 0.00 0.00 19.45 19.39 2put n ALA 623 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2put s THR 624 N -1.19 2.62 0.50 0.00 -4.23 -1.17 -4.49 115.64 107.68 2put s THR 624 Ca 0.35 0.34 0.19 0.00 -1.18 0.00 0.00 61.69 61.39 2put s THR 624 Cb 0.38 -2.98 0.33 0.00 1.34 0.00 0.00 72.50 71.57 2put s THR 624 CO -0.13 -0.13 2.06 0.03 -0.54 0.00 0.00 174.62 175.90 2put h ARG 625 N 0.29 0.10 0.00 3.99 3.08 -1.96 -1.57 114.38 118.31 2put h ARG 625 Ca -0.49 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.55 2put h ARG 625 Cb 1.29 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 2put h ARG 625 CO 0.53 0.07 -0.04 0.38 -1.07 0.00 0.00 179.97 179.84 2put h ASP 626 N 0.10 0.00 0.00 7.04 2.03 -1.91 -3.14 116.42 120.55 2put h ASP 626 Ca 0.15 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.38 2put h ASP 626 Cb 0.48 0.00 -0.17 0.00 -0.83 0.00 0.00 39.33 38.81 2put h ASP 626 CO -0.02 0.04 -0.68 -1.20 -1.03 0.00 0.00 179.24 176.35 2put n SER 627 N -3.90 1.21 -3.82 4.15 7.64 -0.63 -4.75 113.62 113.52 2put n SER 627 Ca -0.03 -2.70 -0.42 0.00 1.01 0.00 0.00 58.87 56.73 2put n SER 627 Cb 0.12 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 2put n SER 627 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2put n LEU 628 N -0.28 6.74 -4.86 -3.43 7.94 -0.96 -4.67 117.00 117.49 2put n LEU 628 Ca 0.10 -4.51 -0.31 0.00 -1.11 0.00 0.00 56.01 50.17 2put n LEU 628 Cb 0.89 -1.52 -0.04 0.00 0.53 0.00 0.00 43.42 43.28 2put n LEU 628 CO -0.03 1.32 0.56 -0.36 -1.11 0.00 0.00 177.39 177.78 2put s PHE 629 N 1.11 3.45 0.37 1.96 0.08 -1.26 -4.93 117.98 118.77 2put s PHE 629 Ca 0.42 1.28 0.15 0.00 0.12 0.00 0.00 56.93 58.90 2put s PHE 629 Cb 0.11 -2.63 1.02 0.00 -0.57 0.00 0.00 43.02 40.95 2put s PHE 629 CO -0.02 -0.22 1.77 -1.35 -0.10 0.00 0.00 175.22 175.30 2put h PRO 630 N 1.18 0.46 0.00 0.24 0.11 -2.00 -0.25 132.00 131.75 2put h PRO 630 Ca -0.47 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 2put h PRO 630 Cb 1.18 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2put h PRO 630 CO 0.63 0.30 -0.43 0.87 -0.21 0.00 0.00 178.00 179.16 2put h LYS 631 N 0.47 0.00 -0.14 1.05 1.57 -1.92 0.11 116.57 117.71 2put h LYS 631 Ca 0.59 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.34 2put h LYS 631 Cb 1.36 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.67 2put h LYS 631 CO -0.33 0.43 -0.03 0.28 -0.57 0.00 0.00 179.45 179.23 2put h VAL 632 N 0.00 1.29 -0.49 0.50 2.07 -1.26 -0.47 116.25 117.89 2put h VAL 632 Ca -0.00 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.54 2put h VAL 632 Cb 0.78 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 2put h VAL 632 CO 0.06 0.28 0.31 0.24 0.02 0.00 0.00 177.57 178.48 2put h MET 633 N -0.04 0.66 -0.64 1.57 2.86 -1.06 -0.63 114.93 117.64 2put h MET 633 Ca 0.04 -0.05 0.09 0.00 -2.06 0.00 0.00 59.70 57.71 2put h MET 633 Cb 0.45 -0.14 -0.07 0.00 0.06 0.00 0.00 31.60 31.90 2put h MET 633 CO 0.01 0.46 0.29 0.77 1.06 0.00 0.00 176.91 179.50 2put h SER 634 N 0.66 0.36 -0.43 1.22 0.02 -0.73 -0.03 113.55 114.62 2put h SER 634 Ca 0.18 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 2put h SER 634 Cb -0.04 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 2put h SER 634 CO -0.04 0.21 0.24 0.00 -1.14 0.00 0.00 176.83 176.11 2put h ALA 635 N 1.40 0.55 -0.38 3.77 0.00 -0.59 -1.59 119.26 122.42 2put h ALA 635 Ca 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2put h ALA 635 Cb 0.34 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2put h ALA 635 CO -0.27 0.06 0.20 0.82 0.00 0.00 0.00 179.25 180.06 2put h ILE 636 N 0.56 1.15 -0.52 0.00 2.04 -0.70 -2.38 117.51 117.66 2put h ILE 636 Ca 0.15 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 2put h ILE 636 Cb 0.04 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 2put h ILE 636 CO -0.03 0.16 0.27 -0.33 0.00 0.00 0.00 178.15 178.22 2put h GLU 637 N 0.47 0.73 -0.83 2.37 5.08 -0.92 -1.97 114.58 119.51 2put h GLU 637 Ca 0.13 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2put h GLU 637 Cb 0.08 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 2put h GLU 637 CO -0.02 0.55 0.38 0.37 -1.00 0.00 0.00 179.01 179.29 2put h GLN 638 N 0.73 1.20 -0.05 2.33 4.15 -0.95 -0.44 115.11 122.09 2put h GLN 638 Ca 0.19 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2put h GLN 638 Cb 0.05 -0.21 -0.00 0.00 0.21 0.00 0.00 27.48 27.53 2put h GLN 638 CO -0.03 0.94 -0.01 0.28 -1.93 0.00 0.00 178.83 178.08 2put h VAL 639 N 1.19 1.30 0.00 2.39 2.07 -1.11 -3.02 116.25 119.06 2put h VAL 639 Ca 0.28 -0.91 -0.11 0.00 0.82 0.00 0.00 66.70 66.78 2put h VAL 639 Cb 0.15 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 2put h VAL 639 CO -0.03 0.25 -0.51 0.71 0.02 0.00 0.00 177.57 178.01 2put h THR 640 N -0.26 1.19 -0.23 2.57 1.35 -1.24 0.68 112.91 116.97 2put h THR 640 Ca 0.01 -1.84 -0.07 0.00 -0.55 0.00 0.00 66.41 63.95 2put h THR 640 Cb 0.40 2.04 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 2put h THR 640 CO 0.00 0.50 -0.18 0.00 -0.25 0.00 0.00 175.52 175.59 2put h ALA 641 N 1.49 1.27 -0.11 6.62 0.00 -1.11 -0.98 119.26 126.45 2put h ALA 641 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2put h ALA 641 Cb 1.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2put h ALA 641 CO 0.07 0.48 0.00 0.54 0.00 0.00 0.00 179.25 180.34 2put n ARG 642 N -4.19 1.25 -1.32 0.00 1.74 -1.10 -4.92 116.66 108.13 2put n ARG 642 Ca -0.00 -0.39 -0.07 0.00 -0.77 0.00 0.00 57.85 56.62 2put n ARG 642 Cb 0.34 -1.09 -0.03 0.00 -1.02 0.00 0.00 32.46 30.66 2put n ARG 642 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2put n ASP 643 N -0.19 -3.67 -4.81 0.55 2.03 -0.37 -4.67 116.55 105.42 2put n ASP 643 Ca 0.04 0.15 -0.33 0.00 0.52 0.00 0.00 54.79 55.17 2put n ASP 643 Cb 0.09 -1.94 -0.02 0.00 -0.72 0.00 0.00 41.12 38.54 2put n ASP 643 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2put s GLY 644 N -2.90 2.21 -0.66 0.27 0.00 0.21 -4.79 107.32 101.67 2put s GLY 644 Ca 0.00 0.39 0.05 0.00 0.00 0.00 0.00 44.72 45.16 2put s GLY 644 CO 0.00 0.69 0.50 0.54 0.00 0.00 0.00 173.10 174.83 2put n ARG 645 N -1.59 1.66 -1.60 2.90 1.74 -1.26 -4.28 116.66 114.24 2put n ARG 645 Ca 0.08 -4.32 -0.31 0.00 -0.77 0.00 0.00 57.85 52.53 2put n ARG 645 Cb 0.53 -2.19 0.05 0.00 -1.02 0.00 0.00 32.46 29.83 2put n ARG 645 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2put s PRO 646 N -1.34 2.86 -0.26 5.56 0.04 -1.26 -4.67 135.00 135.93 2put s PRO 646 Ca 0.27 1.07 -0.10 0.00 0.04 0.00 0.00 61.00 62.28 2put s PRO 646 Cb -0.01 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 2put s PRO 646 CO -0.16 -1.17 0.16 0.42 0.04 0.00 0.00 177.00 176.29 2put s ILE 647 N -2.87 5.20 -0.21 0.56 1.01 0.59 -1.10 121.20 124.38 2put s ILE 647 Ca 0.60 0.13 -0.05 0.00 0.00 0.00 0.00 60.65 61.33 2put s ILE 647 Cb -0.15 -3.45 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 2put s ILE 647 CO 0.51 0.30 -0.01 -0.69 0.00 0.00 0.00 174.94 175.05 2put s VAL 648 N 1.46 3.82 -0.32 2.92 1.01 0.11 -0.64 120.40 128.77 2put s VAL 648 Ca 0.07 -0.35 -0.13 0.00 0.00 0.00 0.00 61.98 61.57 2put s VAL 648 Cb -0.15 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 2put s VAL 648 CO 0.08 0.42 0.26 -0.63 0.00 0.00 0.00 175.10 175.22 2put s ILE 649 N 1.19 5.26 0.25 2.22 1.01 -0.07 -0.57 121.20 130.50 2put s ILE 649 Ca 0.03 0.01 -0.02 0.00 0.00 0.00 0.00 60.65 60.67 2put s ILE 649 Cb -0.15 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 2put s ILE 649 CO 0.01 0.07 0.26 0.00 0.00 0.00 0.00 174.94 175.28 2put s ASN 651 N -3.18 7.01 -0.40 0.00 0.02 -1.26 -0.80 114.94 116.33 2put s ASN 651 Ca 0.35 1.84 -0.45 0.00 -1.02 0.00 0.00 52.86 53.59 2put s ASN 651 Cb 0.04 -2.57 -0.19 0.00 0.02 0.00 0.00 41.25 38.55 2put s ASN 651 CO 0.15 -0.30 1.60 -0.62 0.02 0.00 0.00 177.10 177.95 2put n GLU 652 N -0.06 0.32 -0.15 -0.60 1.02 -0.59 -1.48 120.64 119.10 2put n GLU 652 Ca 0.05 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2put n GLU 652 Cb 0.51 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 2put n GLU 652 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2put n GLY 653 N 3.88 0.89 3.85 0.62 0.00 -1.26 -4.97 105.19 108.20 2put n GLY 653 Ca 0.29 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.93 2put n GLY 653 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2put s ASP 654 N -2.83 6.69 -0.46 1.61 1.01 -0.55 -5.03 116.67 117.12 2put s ASP 654 Ca 0.00 0.83 -0.08 0.00 0.71 0.00 0.00 52.55 54.00 2put s ASP 654 Cb 0.00 -2.20 0.12 0.00 1.01 0.00 0.00 42.92 41.85 2put s ASP 654 CO 0.00 0.35 0.32 0.00 0.21 0.00 0.00 175.17 176.05 2put s ALA 655 N -1.07 3.36 -0.04 5.23 0.00 -1.26 -4.87 121.76 123.11 2put s ALA 655 Ca 0.21 -2.53 -0.02 0.00 0.00 0.00 0.00 51.96 49.62 2put s ALA 655 Cb -0.15 -2.76 -0.27 0.00 0.00 0.00 0.00 23.12 19.93 2put s ALA 655 CO 0.11 -1.89 0.69 0.82 0.00 0.00 0.00 175.76 175.49 2put h ILE 656 N 6.17 0.96 -3.83 0.00 1.08 -1.96 -3.45 117.51 116.47 2put h ILE 656 Ca -0.20 -2.64 -0.62 0.00 -0.39 0.00 0.00 64.86 61.01 2put h ILE 656 Cb 1.07 2.65 -0.32 0.00 -3.07 0.00 0.00 36.82 37.15 2put h ILE 656 CO 0.84 0.79 -0.86 -0.63 -0.69 0.00 0.00 178.15 177.60 2put s ILE 657 N -2.60 1.69 0.41 -0.67 1.01 -1.26 -5.07 121.20 114.71 2put s ILE 657 Ca -0.12 -0.85 -0.24 0.00 0.00 0.00 0.00 60.65 59.44 2put s ILE 657 Cb 0.07 -1.45 -0.12 0.00 0.01 0.00 0.00 42.46 40.97 2put s ILE 657 CO 0.83 0.48 0.85 -0.24 0.00 0.00 0.00 174.94 176.86 2put n SER 658 N 3.18 0.52 0.00 3.58 2.88 -1.26 -4.85 113.62 117.66 2put n SER 658 Ca -0.18 1.01 0.05 0.00 -1.33 0.00 0.00 58.87 58.42 2put n SER 658 Cb 0.53 -1.26 0.25 0.00 -0.75 0.00 0.00 64.21 62.97 2put n SER 658 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2put n ASN 659 N 0.82 0.00 0.21 -3.46 4.13 -1.26 -2.38 115.26 113.32 2put n ASN 659 Ca 0.10 0.33 0.07 0.00 1.68 0.00 0.00 54.58 56.76 2put n ASN 659 Cb 0.38 -0.40 0.48 0.00 -1.54 0.00 0.00 39.78 38.70 2put n ASN 659 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 2put h ASP 660 N 0.00 0.00 -4.29 6.41 3.32 -2.04 -3.45 116.42 116.37 2put h ASP 660 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 2put h ASP 660 Cb 0.14 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 39.44 2put h ASP 660 CO 0.00 0.28 -0.82 -0.54 -1.72 0.00 0.00 179.24 176.44 2put s LYS 661 N -4.01 1.16 -0.12 3.56 1.02 -1.00 -5.06 119.74 115.30 2put s LYS 661 Ca -0.02 -0.81 -0.14 0.00 0.02 0.00 0.00 55.97 55.02 2put s LYS 661 Cb 0.13 -1.21 -0.05 0.00 -0.52 0.00 0.00 37.83 36.18 2put s LYS 661 CO 0.66 0.31 0.32 0.08 -0.92 0.00 0.00 175.35 175.80 2put s VAL 662 N -0.77 5.26 -0.02 3.17 1.01 -1.26 -4.80 120.40 122.98 2put s VAL 662 Ca 0.05 0.62 -0.29 0.00 0.00 0.00 0.00 61.98 62.36 2put s VAL 662 Cb -0.08 -3.64 0.10 0.00 0.00 0.00 0.00 36.38 32.76 2put s VAL 662 CO 0.01 0.45 0.88 -1.38 0.00 0.00 0.00 175.10 175.06 2put s HIS 663 N -0.01 -0.37 -0.10 5.22 -0.00 -1.26 -4.39 115.29 114.37 2put s HIS 663 Ca 0.19 0.32 -0.04 0.00 -0.00 0.00 0.00 55.06 55.53 2put s HIS 663 Cb -0.14 0.52 -0.04 0.00 -0.00 0.00 0.00 32.58 32.93 2put s HIS 663 CO 0.07 -0.54 0.04 0.99 -0.00 0.00 0.00 174.74 175.30 2put s THR 664 N -2.79 4.68 -0.03 -5.38 2.01 -0.25 -5.00 115.64 108.88 2put s THR 664 Ca 0.03 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 61.99 2put s THR 664 Cb -0.01 -3.00 -0.02 0.00 0.01 0.00 0.00 72.50 69.48 2put s THR 664 CO -0.07 0.60 -0.21 0.42 -0.69 0.00 0.00 174.62 174.67 2put s THR 665 N -0.85 2.46 -0.27 -0.82 -4.23 -1.26 0.09 115.64 110.76 2put s THR 665 Ca 0.13 -0.96 0.01 0.00 -1.18 0.00 0.00 61.69 59.70 2put s THR 665 Cb -0.12 -1.90 0.08 0.00 1.34 0.00 0.00 72.50 71.90 2put s THR 665 CO 0.03 0.58 -0.00 -0.76 -0.54 0.00 0.00 174.62 173.93 2put s LEU 666 N -0.67 3.00 0.03 4.79 1.43 0.27 -4.92 118.68 122.60 2put s LEU 666 Ca 0.11 -1.48 -0.19 0.00 -1.03 0.00 0.00 54.13 51.54 2put s LEU 666 Cb -0.10 -1.22 -0.06 0.00 0.03 0.00 0.00 46.19 44.83 2put s LEU 666 CO -0.00 -0.30 0.53 -1.61 0.23 0.00 0.00 176.35 175.20 2put s GLU 667 N 1.32 4.18 0.08 1.70 2.02 -1.26 -2.54 118.70 124.20 2put s GLU 667 Ca 0.01 0.65 0.07 0.00 0.02 0.00 0.00 54.97 55.72 2put s GLU 667 Cb -0.19 -3.27 -0.03 0.00 0.10 0.00 0.00 34.13 30.74 2put s GLU 667 CO -0.10 0.56 -0.18 0.14 0.02 0.00 0.00 175.26 175.69 2put s VAL 668 N -0.78 1.48 0.59 2.63 -7.23 0.02 -4.82 120.40 112.29 2put s VAL 668 Ca 0.28 -1.41 -0.19 0.00 -1.81 0.00 0.00 61.98 58.85 2put s VAL 668 Cb -0.18 -1.36 -0.05 0.00 0.56 0.00 0.00 36.38 35.35 2put s VAL 668 CO 0.17 -0.09 1.05 -2.65 -0.31 0.00 0.00 175.10 173.26 2put n PRO 669 N 1.25 1.02 -2.78 4.82 -0.02 -1.26 -1.54 135.00 136.48 2put n PRO 669 Ca -0.20 0.39 -0.41 0.00 -2.02 0.00 0.00 63.50 61.26 2put n PRO 669 Cb 0.54 -2.25 -0.04 0.00 -0.02 0.00 0.00 33.50 31.73 2put n PRO 669 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2put s GLU 670 N -2.82 4.61 0.19 -0.52 2.12 -1.26 -4.84 118.70 116.19 2put s GLU 670 Ca 0.76 1.35 0.01 0.00 0.36 0.00 0.00 54.97 57.44 2put s GLU 670 Cb -0.42 -3.40 -0.00 0.00 0.26 0.00 0.00 34.13 30.57 2put s GLU 670 CO 0.47 0.14 0.03 -2.37 -0.54 0.00 0.00 175.26 172.99 2put n THR 671 N 3.17 0.00 -1.72 -1.70 5.66 -1.26 -5.10 114.28 113.32 2put n THR 671 Ca 0.02 -1.02 -0.42 0.00 -3.05 0.00 0.00 64.05 59.59 2put n THR 671 Cb 0.50 0.29 -0.00 0.00 -1.55 0.00 0.00 70.33 69.56 2put n THR 671 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2put n VAL 672 N -0.46 2.11 -0.25 1.08 0.31 -1.26 -4.76 118.33 115.10 2put n VAL 672 Ca -0.06 -0.50 0.06 0.00 -0.01 0.00 0.00 64.34 63.84 2put n VAL 672 Cb 0.27 -1.68 0.19 0.00 -0.91 0.00 0.00 33.84 31.71 2put n VAL 672 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 2put h ASP 673 N 2.57 0.01 0.39 4.52 3.04 -1.99 0.26 116.42 125.22 2put h ASP 673 Ca -0.48 0.15 0.00 0.00 -3.24 0.00 0.00 57.03 53.46 2put h ASP 673 Cb 1.27 0.20 0.00 0.00 -1.04 0.00 0.00 39.33 39.77 2put h ASP 673 CO 0.62 -0.05 0.00 0.00 -2.04 0.00 0.00 179.24 177.78 2put n LEU 675 N -1.21 0.69 0.01 0.00 4.77 0.04 -4.59 117.00 116.71 2put n LEU 675 Ca 0.16 -0.46 0.18 0.00 -0.03 0.00 0.00 56.01 55.85 2put n LEU 675 Cb 0.19 0.00 0.65 0.00 -2.33 0.00 0.00 43.42 41.93 2put n LEU 675 CO 0.20 0.17 1.17 -0.61 -1.33 0.00 0.00 177.39 177.00 2put h GLN 676 N 0.00 0.08 0.00 3.23 5.75 -1.17 -1.15 115.11 121.84 2put h GLN 676 Ca 0.00 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 2put h GLN 676 Cb 0.40 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.93 2put h GLN 676 CO 0.00 0.05 -0.08 0.78 -2.65 0.00 0.00 178.83 176.93 2put h GLY 677 N 0.08 0.00 1.65 2.39 0.00 -1.81 0.50 103.07 105.88 2put h GLY 677 Ca 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.52 2put h GLY 677 CO -0.02 0.00 -0.02 1.41 0.00 0.00 0.00 176.54 177.91 2put h LEU 678 N 0.00 0.41 0.14 3.11 3.38 -1.54 -2.78 115.31 118.03 2put h LEU 678 Ca -0.00 -0.07 -0.35 0.00 0.09 0.00 0.00 57.88 57.55 2put h LEU 678 Cb 0.16 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2put h LEU 678 CO 0.01 0.49 -1.84 -0.07 0.09 0.00 0.00 178.44 177.12 2put h LEU 679 N 0.43 0.47 -1.75 1.67 3.38 -1.44 -3.38 115.31 114.68 2put h LEU 679 Ca 0.09 -0.85 -0.01 0.00 0.09 0.00 0.00 57.88 57.20 2put h LEU 679 Cb 0.31 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2put h LEU 679 CO 0.01 1.74 -0.03 0.78 0.09 0.00 0.00 178.44 181.03 2put h ASN 680 N 0.08 0.00 1.38 -0.43 4.21 -0.88 -2.65 115.58 117.30 2put h ASN 680 Ca -0.37 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.02 2put h ASN 680 Cb 2.06 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 39.24 2put h ASN 680 CO 0.13 0.03 -0.57 1.62 -1.29 0.00 0.00 177.43 177.36 2put h VAL 681 N 0.00 0.99 -0.12 2.81 3.04 -1.68 -3.35 116.25 117.94 2put h VAL 681 Ca -0.00 -2.35 0.02 0.00 -1.01 0.00 0.00 66.70 63.36 2put h VAL 681 Cb 0.43 2.46 -0.02 0.00 -2.01 0.00 0.00 31.29 32.14 2put h VAL 681 CO 0.00 0.55 -0.02 0.40 -1.01 0.00 0.00 177.57 177.50 2put h ILE 682 N 0.00 0.89 -0.04 3.17 1.08 -1.67 -1.38 117.51 119.56 2put h ILE 682 Ca -0.01 -0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.45 2put h ILE 682 Cb 1.41 0.88 -0.00 0.00 -3.07 0.00 0.00 36.82 36.03 2put h ILE 682 CO 0.07 0.00 -0.02 -0.65 -0.69 0.00 0.00 178.15 176.87 2put h PRO 683 N 0.01 0.06 -0.32 2.37 0.11 -1.75 -1.88 132.00 130.60 2put h PRO 683 Ca 0.06 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.04 2put h PRO 683 Cb 0.08 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 2put h PRO 683 CO -0.12 0.09 -0.32 -0.07 -0.21 0.00 0.00 178.00 177.37 2put h LEU 684 N 0.06 0.72 -0.22 2.35 -0.00 -1.53 0.21 115.31 116.89 2put h LEU 684 Ca 0.02 -0.29 -0.01 0.00 -0.00 0.00 0.00 57.88 57.60 2put h LEU 684 Cb 0.08 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 40.53 2put h LEU 684 CO 0.00 0.98 0.11 1.56 -0.00 0.00 0.00 178.44 181.10 2put h GLN 685 N 0.58 0.32 -0.60 1.13 4.20 -0.88 0.98 115.11 120.84 2put h GLN 685 Ca 0.07 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 2put h GLN 685 Cb 0.83 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.53 2put h GLN 685 CO 0.07 0.32 0.17 -0.07 -0.67 0.00 0.00 178.83 178.65 2put h LEU 686 N 0.24 0.90 -0.01 1.46 3.38 -1.26 -1.71 115.31 118.30 2put h LEU 686 Ca 0.08 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2put h LEU 686 Cb 0.10 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 2put h LEU 686 CO -0.01 0.88 0.01 0.40 0.09 0.00 0.00 178.44 179.80 2put h ILE 687 N 0.87 1.02 -0.91 1.22 2.04 -0.41 0.11 117.51 121.45 2put h ILE 687 Ca 0.19 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 66.07 2put h ILE 687 Cb 0.31 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.37 2put h ILE 687 CO -0.00 0.02 0.59 0.77 0.00 0.00 0.00 178.15 179.52 2put h SER 688 N -0.00 0.89 0.47 1.72 4.64 -0.76 0.11 113.55 120.62 2put h SER 688 Ca 0.00 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 2put h SER 688 Cb 0.02 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 2put h SER 688 CO -0.00 0.56 -0.23 0.22 -0.87 0.00 0.00 176.83 176.51 2put h TYR 689 N 1.00 -0.59 -0.02 4.77 3.20 -1.02 -2.86 116.97 121.46 2put h TYR 689 Ca 0.40 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.17 2put h TYR 689 Cb 0.25 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 2put h TYR 689 CO -0.00 -0.27 -0.41 -1.49 -1.64 0.00 0.00 178.16 174.35 2put h TRP 690 N -0.86 0.04 -0.80 -3.82 4.06 -0.86 -1.75 115.95 111.96 2put h TRP 690 Ca -0.06 -0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.87 2put h TRP 690 Cb 0.58 -0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 28.69 2put h TRP 690 CO 0.00 0.44 0.48 -0.07 -3.56 0.00 0.00 178.44 175.72 2put h LEU 691 N 0.03 0.97 -0.00 -4.49 3.38 -1.03 -1.45 115.31 112.71 2put h LEU 691 Ca -0.00 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2put h LEU 691 Cb 0.73 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2put h LEU 691 CO 0.05 0.76 -0.00 0.00 0.09 0.00 0.00 178.44 179.34 2put h ALA 692 N 1.26 0.00 -0.43 1.53 0.00 -1.24 -2.60 119.26 117.77 2put h ALA 692 Ca 0.29 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.12 2put h ALA 692 Cb -0.03 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 2put h ALA 692 CO -0.05 -0.34 0.04 0.28 0.00 0.00 0.00 179.25 179.17 2put h VAL 693 N -0.31 0.71 0.00 0.00 2.07 -1.28 -1.17 116.25 116.26 2put h VAL 693 Ca 0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2put h VAL 693 Cb 0.32 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2put h VAL 693 CO 0.00 0.03 0.00 0.78 0.02 0.00 0.00 177.57 178.40 2put h ASN 694 N 0.15 0.00 -0.02 0.57 2.35 -1.20 -1.06 115.58 116.37 2put h ASN 694 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 2put h ASN 694 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2put h ASN 694 CO -0.32 0.00 -0.20 0.54 -1.65 0.00 0.00 177.43 175.80 2put n ARG 695 N -2.55 1.64 -0.31 0.81 1.74 -0.64 -4.99 116.66 112.37 2put n ARG 695 Ca -0.01 -1.30 0.00 0.00 -0.77 0.00 0.00 57.85 55.77 2put n ARG 695 Cb 0.11 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 2put n ARG 695 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2put n GLY 696 N 1.20 0.77 3.76 -0.13 0.00 -0.40 -5.04 105.19 105.34 2put n GLY 696 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2put n GLY 696 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2put s ILE 697 N -2.69 2.82 -0.43 -0.61 1.09 -0.61 -4.97 121.20 115.79 2put s ILE 697 Ca 0.00 0.79 -0.22 0.00 -1.10 0.00 0.00 60.65 60.12 2put s ILE 697 Cb 0.00 -3.50 0.02 0.00 -1.06 0.00 0.00 42.46 37.92 2put s ILE 697 CO 0.00 0.17 0.70 -0.62 -0.10 0.00 0.00 174.94 175.09 2put s ASP 698 N -0.32 6.37 0.32 3.58 2.15 -1.26 -4.39 116.67 123.12 2put s ASP 698 Ca 0.51 -0.19 0.26 0.00 0.43 0.00 0.00 52.55 53.55 2put s ASP 698 Cb -0.39 -2.35 1.02 0.00 -0.30 0.00 0.00 42.92 40.90 2put s ASP 698 CO 0.49 -0.81 1.78 -0.37 -0.17 0.00 0.00 175.17 176.09 2put h VAL 699 N 5.90 0.00 -0.02 1.11 -1.51 -1.93 -3.52 116.25 116.27 2put h VAL 699 Ca -0.25 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 2put h VAL 699 Cb 1.09 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.44 2put h VAL 699 CO 0.91 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.72