#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tgz n GLU 367 N 0.00 1.39 -3.67 1.47 0.28 -1.26 -4.92 120.64 113.94 1tgz n GLU 367 Ca 0.00 -1.54 -0.39 0.00 -0.16 0.00 0.00 57.16 55.08 1tgz n GLU 367 Cb 0.00 -1.32 -0.12 0.00 1.43 0.00 0.00 31.44 31.43 1tgz n GLU 367 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1tgz s LEU 368 N -1.36 4.14 0.31 -1.84 1.43 -1.26 -5.07 118.68 115.04 1tgz s LEU 368 Ca 0.20 -0.63 -0.27 0.00 -1.03 0.00 0.00 54.13 52.40 1tgz s LEU 368 Cb 0.14 -1.98 -0.14 0.00 0.03 0.00 0.00 46.19 44.25 1tgz s LEU 368 CO 0.21 -0.22 0.94 0.41 0.23 0.00 0.00 176.35 177.92 1tgz n THR 369 N 4.96 2.03 -0.32 5.49 -1.04 -1.26 -4.76 114.28 119.39 1tgz n THR 369 Ca -0.14 -0.50 0.16 0.00 -2.04 0.00 0.00 64.05 61.53 1tgz n THR 369 Cb 0.48 -0.92 0.40 0.00 -1.82 0.00 0.00 70.33 68.47 1tgz n THR 369 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1tgz h GLU 370 N 1.77 0.60 0.11 -2.82 3.07 -1.99 -0.43 114.58 114.89 1tgz h GLU 370 Ca -0.40 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.42 1tgz h GLU 370 Cb 1.35 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1tgz h GLU 370 CO 0.59 0.40 -0.05 -0.44 -1.40 0.00 0.00 179.01 178.11 1tgz h ASP 371 N 0.62 -0.13 -0.83 1.42 5.19 -2.01 -3.18 116.42 117.51 1tgz h ASP 371 Ca 0.55 -0.44 0.18 0.00 -0.62 0.00 0.00 57.03 56.69 1tgz h ASP 371 Cb 1.04 0.03 -0.11 0.00 0.18 0.00 0.00 39.33 40.47 1tgz h ASP 371 CO -0.31 0.46 0.33 0.24 -3.12 0.00 0.00 179.24 176.84 1tgz h MET 372 N -0.81 0.39 -0.70 3.56 2.86 -1.76 0.19 114.93 118.67 1tgz h MET 372 Ca -0.02 -0.02 0.15 0.00 -2.06 0.00 0.00 59.70 57.75 1tgz h MET 372 Cb 0.56 -0.09 -0.11 0.00 0.06 0.00 0.00 31.60 32.02 1tgz h MET 372 CO 0.03 0.26 0.07 1.49 1.06 0.00 0.00 176.91 179.81 1tgz h GLU 373 N 0.40 0.16 0.05 1.72 4.57 -1.13 0.31 114.58 120.67 1tgz h GLU 373 Ca 0.49 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.65 1tgz h GLU 373 Cb 0.85 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 1tgz h GLU 373 CO -0.49 0.11 -0.03 -0.22 -1.18 0.00 0.00 179.01 177.21 1tgz h LYS 374 N 0.17 -0.07 -0.11 1.92 1.63 -0.63 0.13 116.57 119.60 1tgz h LYS 374 Ca 0.38 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 60.23 1tgz h LYS 374 Cb 0.65 0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 32.24 1tgz h LYS 374 CO -0.56 0.10 -0.22 1.49 -3.45 0.00 0.00 179.45 176.80 1tgz h GLU 375 N -0.22 -0.28 -0.95 1.90 4.81 -0.46 0.22 114.58 119.59 1tgz h GLU 375 Ca -0.01 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1tgz h GLU 375 Cb 0.20 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.58 1tgz h GLU 375 CO 0.01 -0.19 0.62 0.82 -0.73 0.00 0.00 179.01 179.54 1tgz h ILE 376 N -0.29 1.10 -0.38 2.32 2.04 -0.33 -1.91 117.51 120.05 1tgz h ILE 376 Ca 0.10 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1tgz h ILE 376 Cb 0.43 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 1tgz h ILE 376 CO -0.28 0.20 0.24 -1.28 0.00 0.00 0.00 178.15 177.03 1tgz h SER 377 N 1.12 0.44 -0.59 1.72 0.87 0.11 -2.69 113.55 114.53 1tgz h SER 377 Ca 0.40 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.91 1tgz h SER 377 Cb 0.14 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 1tgz h SER 377 CO -0.15 0.33 0.28 0.78 -0.53 0.00 0.00 176.83 177.54 1tgz h ASN 378 N 0.50 0.78 -0.75 6.23 2.35 0.10 0.30 115.58 125.11 1tgz h ASN 378 Ca 0.14 -0.14 0.04 0.00 -0.55 0.00 0.00 56.30 55.79 1tgz h ASN 378 Cb -0.04 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.08 1tgz h ASN 378 CO -0.03 0.70 0.47 0.00 -1.65 0.00 0.00 177.43 176.92 1tgz h ALA 379 N 1.11 0.99 0.00 -0.83 0.00 -1.33 -2.66 119.26 116.54 1tgz h ALA 379 Ca 0.20 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 1tgz h ALA 379 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1tgz h ALA 379 CO -0.02 0.24 -0.78 -0.07 0.00 0.00 0.00 179.25 178.62 1tgz h LEU 380 N 0.89 0.00 0.00 0.00 3.38 -1.14 -3.45 115.31 114.99 1tgz h LEU 380 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1tgz h LEU 380 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1tgz h LEU 380 CO -0.13 0.78 0.00 0.61 0.09 0.00 0.00 178.44 179.79 1tgz n GLY 381 N 1.24 -3.64 3.83 0.83 0.00 0.10 -4.96 105.19 102.59 1tgz n GLY 381 Ca 0.01 -1.21 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 1tgz n GLY 381 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1tgz s HIS 382 N -0.70 3.29 0.00 1.61 -3.43 -1.26 -5.02 115.29 109.78 1tgz s HIS 382 Ca 0.00 1.53 0.00 0.00 -0.80 0.00 0.00 55.06 55.79 1tgz s HIS 382 Cb 0.00 -2.87 0.00 0.00 -1.43 0.00 0.00 32.58 28.28 1tgz s HIS 382 CO 0.00 -0.45 0.00 0.41 -2.00 0.00 0.00 174.74 172.70 1tgz n GLY 383 N -1.07 0.96 3.69 -1.38 0.00 -1.26 -5.03 105.19 101.10 1tgz n GLY 383 Ca 0.07 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 1tgz n GLY 383 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1tgz s PRO 384 N -2.00 4.13 0.20 1.61 0.02 -1.26 -4.87 135.00 132.84 1tgz s PRO 384 Ca 0.00 2.61 -0.10 0.00 0.02 0.00 0.00 61.00 63.53 1tgz s PRO 384 Cb 0.00 -3.56 0.26 0.00 0.02 0.00 0.00 34.50 31.22 1tgz s PRO 384 CO 0.00 -0.84 1.72 0.37 -0.33 0.00 0.00 177.00 177.92 1tgz h GLN 385 N 8.50 0.30 0.00 5.54 5.75 -1.99 -1.48 115.11 131.73 1tgz h GLN 385 Ca -0.46 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 1tgz h GLN 385 Cb 1.22 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.70 1tgz h GLN 385 CO 0.95 0.20 0.00 -0.25 -2.65 0.00 0.00 178.83 177.08 1tgz n ASP 386 N -5.08 0.00 -4.68 -0.69 8.00 -1.26 0.65 116.55 113.48 1tgz n ASP 386 Ca 0.08 0.04 -0.45 0.00 0.71 0.00 0.00 54.79 55.17 1tgz n ASP 386 Cb 0.29 -0.32 -0.04 0.00 -0.02 0.00 0.00 41.12 41.02 1tgz n ASP 386 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1tgz n GLU 387 N -1.32 2.41 -2.52 -1.24 2.13 -0.56 -4.69 120.64 114.85 1tgz n GLU 387 Ca 0.10 0.87 -0.40 0.00 0.66 0.00 0.00 57.16 58.40 1tgz n GLU 387 Cb 0.21 -2.70 -0.05 0.00 0.27 0.00 0.00 31.44 29.17 1tgz n GLU 387 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1tgz s ILE 388 N 2.07 3.58 0.00 6.31 1.01 -1.26 -0.17 121.20 132.74 1tgz s ILE 388 Ca 0.82 1.59 0.00 0.00 0.00 0.00 0.00 60.65 63.06 1tgz s ILE 388 Cb -0.61 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 37.85 1tgz s ILE 388 CO 0.40 0.38 0.00 0.18 0.00 0.00 0.00 174.94 175.90 1tgz n LEU 389 N 1.25 0.00 -3.63 2.97 4.77 0.31 -4.87 117.00 117.80 1tgz n LEU 389 Ca -0.01 -0.26 -0.04 0.00 -0.03 0.00 0.00 56.01 55.67 1tgz n LEU 389 Cb 0.45 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 1tgz n LEU 389 CO 0.53 0.00 0.52 -0.55 -1.33 0.00 0.00 177.39 176.57 1tgz s SER 390 N -0.74 -0.72 -0.08 -1.43 0.15 -1.09 -4.79 113.70 105.00 1tgz s SER 390 Ca 0.00 1.12 0.04 0.00 0.70 0.00 0.00 55.95 57.81 1tgz s SER 390 Cb 0.00 1.37 0.00 0.00 -1.71 0.00 0.00 66.02 65.68 1tgz s SER 390 CO 0.00 -0.17 -0.19 -0.44 1.20 0.00 0.00 173.24 173.63 1tgz s SER 391 N 1.62 2.51 0.00 5.45 0.01 -1.26 -0.12 113.70 121.91 1tgz s SER 391 Ca -0.09 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.74 1tgz s SER 391 Cb -0.05 -1.03 0.00 0.00 0.21 0.00 0.00 66.02 65.15 1tgz s SER 391 CO -0.17 0.13 0.00 0.00 0.41 0.00 0.00 173.24 173.60 1tgz n ALA 392 N 3.50 0.00 -3.43 1.44 0.00 -0.52 -4.96 120.51 116.54 1tgz n ALA 392 Ca -0.20 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.01 1tgz n ALA 392 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 1tgz n ALA 392 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1tgz n PHE 393 N -0.02 -1.70 -2.34 0.00 3.01 -1.26 0.64 117.46 115.79 1tgz n PHE 393 Ca 0.00 0.43 -0.19 0.00 1.01 0.00 0.00 57.45 58.70 1tgz n PHE 393 Cb 0.00 -2.46 -0.01 0.00 -0.01 0.00 0.00 39.48 37.00 1tgz n PHE 393 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1tgz n LYS 394 N -3.59 -1.53 -4.89 -1.08 4.76 -1.26 -4.99 118.16 105.58 1tgz n LYS 394 Ca 0.01 0.94 -0.27 0.00 -2.87 0.00 0.00 58.31 56.12 1tgz n LYS 394 Cb 0.52 -5.50 -0.15 0.00 -1.84 0.00 0.00 35.03 28.06 1tgz n LYS 394 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1tgz s LEU 395 N -5.50 2.11 -0.34 -0.35 1.43 0.21 -5.10 118.68 111.13 1tgz s LEU 395 Ca 0.00 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.65 1tgz s LEU 395 Cb 0.00 -1.10 0.10 0.00 0.03 0.00 0.00 46.19 45.22 1tgz s LEU 395 CO 0.00 0.23 0.05 -0.13 0.23 0.00 0.00 176.35 176.73 1tgz s ARG 396 N -0.89 1.61 -0.29 1.70 1.81 -1.26 -1.43 118.95 120.19 1tgz s ARG 396 Ca 0.09 -1.82 -0.29 0.00 -1.72 0.00 0.00 55.73 51.98 1tgz s ARG 396 Cb -0.09 -3.22 0.01 0.00 -0.45 0.00 0.00 34.95 31.20 1tgz s ARG 396 CO 0.01 -0.92 1.14 0.42 -0.68 0.00 0.00 175.30 175.27 1tgz s ILE 397 N 0.95 4.41 0.38 1.52 -1.09 0.83 -4.90 121.20 123.30 1tgz s ILE 397 Ca 0.09 1.63 0.02 0.00 -2.23 0.00 0.00 60.65 60.16 1tgz s ILE 397 Cb -0.19 -4.31 -0.01 0.00 -1.58 0.00 0.00 42.46 36.36 1tgz s ILE 397 CO -0.07 -0.43 0.58 0.42 -1.23 0.00 0.00 174.94 174.21 1tgz s THR 398 N 3.78 4.42 0.38 2.92 -4.23 -1.26 0.11 115.64 121.77 1tgz s THR 398 Ca 0.49 -0.61 0.11 0.00 -1.18 0.00 0.00 61.69 60.50 1tgz s THR 398 Cb -0.14 -3.60 0.33 0.00 1.34 0.00 0.00 72.50 70.42 1tgz s THR 398 CO 0.16 -0.37 1.90 -0.09 -0.54 0.00 0.00 174.62 175.69 1tgz h ARG 399 N 0.64 0.58 -0.53 3.99 2.43 -0.28 0.18 114.38 121.39 1tgz h ARG 399 Ca -0.48 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.63 1tgz h ARG 399 Cb 1.24 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 1tgz h ARG 399 CO 0.58 0.38 0.22 0.78 -1.51 0.00 0.00 179.97 180.42 1tgz h GLY 400 N 0.60 0.81 0.37 2.80 0.00 -0.04 -1.97 103.07 105.63 1tgz h GLY 400 Ca 0.40 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1tgz h GLY 400 CO -0.16 0.38 -0.04 -0.55 0.00 0.00 0.00 176.54 176.17 1tgz h ASP 401 N 0.75 -0.10 -0.92 0.19 3.32 -0.95 -3.16 116.42 115.56 1tgz h ASP 401 Ca 0.18 -0.49 0.25 0.00 0.02 0.00 0.00 57.03 57.00 1tgz h ASP 401 Cb 0.14 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.67 1tgz h ASP 401 CO -0.02 0.49 0.64 -0.29 -1.72 0.00 0.00 179.24 178.35 1tgz h ILE 402 N -0.75 0.57 -0.92 0.35 6.09 -1.17 0.11 117.51 121.79 1tgz h ILE 402 Ca -0.01 -0.03 0.15 0.00 -1.37 0.00 0.00 64.86 63.59 1tgz h ILE 402 Cb 0.58 0.46 -0.09 0.00 0.47 0.00 0.00 36.82 38.23 1tgz h ILE 402 CO 0.02 0.02 0.52 1.56 -3.07 0.00 0.00 178.15 177.20 1tgz h GLN 403 N 0.10 0.72 0.00 2.19 1.08 -1.32 0.26 115.11 118.14 1tgz h GLN 403 Ca 0.45 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.61 1tgz h GLN 403 Cb 1.62 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.89 1tgz h GLN 403 CO -0.06 0.48 0.36 1.79 -0.95 0.00 0.00 178.83 180.45 1tgz h THR 404 N 0.74 0.00 -0.00 -0.54 1.35 -0.90 0.44 112.91 113.99 1tgz h THR 404 Ca 0.50 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.36 1tgz h THR 404 Cb 0.67 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 1tgz h THR 404 CO -0.34 0.00 -0.11 0.18 -0.25 0.00 0.00 175.52 174.99 1tgz n LEU 405 N -2.25 0.55 -4.73 3.87 4.77 0.08 -4.03 117.00 115.27 1tgz n LEU 405 Ca -0.01 -0.04 -0.34 0.00 -0.03 0.00 0.00 56.01 55.59 1tgz n LEU 405 Cb 0.38 -0.16 0.09 0.00 -2.33 0.00 0.00 43.42 41.40 1tgz n LEU 405 CO 0.07 0.10 0.79 -0.54 -1.33 0.00 0.00 177.39 176.48 1tgz s LYS 406 N -2.44 2.20 0.30 3.23 1.02 0.15 -4.76 119.74 119.45 1tgz s LYS 406 Ca 0.30 1.73 -0.28 0.00 0.02 0.00 0.00 55.97 57.73 1tgz s LYS 406 Cb 0.20 -1.84 -0.14 0.00 -0.52 0.00 0.00 37.83 35.53 1tgz s LYS 406 CO 0.47 -1.78 1.01 0.09 -0.92 0.00 0.00 175.35 174.22 1tgz n ASN 407 N -2.68 1.32 0.00 2.83 5.03 -1.26 -0.88 115.26 119.62 1tgz n ASN 407 Ca 0.13 1.17 0.00 0.00 0.87 0.00 0.00 54.58 56.75 1tgz n ASN 407 Cb 0.50 -1.30 0.00 0.00 -1.02 0.00 0.00 39.78 37.97 1tgz n ASN 407 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1tgz n TYR 408 N 0.17 0.00 -3.12 3.10 4.02 -1.26 -4.95 117.16 115.12 1tgz n TYR 408 Ca 0.09 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.59 1tgz n TYR 408 Cb 0.33 -1.30 -0.06 0.00 -0.02 0.00 0.00 39.34 38.29 1tgz n TYR 408 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1tgz s HIS 409 N -1.51 3.84 0.02 -0.72 3.76 -0.06 -4.80 115.29 115.83 1tgz s HIS 409 Ca 0.00 1.44 -0.30 0.00 -0.15 0.00 0.00 55.06 56.05 1tgz s HIS 409 Cb 0.00 -2.64 -0.05 0.00 1.11 0.00 0.00 32.58 31.00 1tgz s HIS 409 CO 0.00 0.52 1.18 -1.58 -0.85 0.00 0.00 174.74 174.01 1tgz s TRP 410 N -0.99 3.38 0.49 1.40 0.52 -1.26 -4.73 118.94 117.75 1tgz s TRP 410 Ca 0.33 1.31 -0.20 0.00 0.02 0.00 0.00 56.10 57.55 1tgz s TRP 410 Cb -0.21 -3.39 -0.08 0.00 -1.15 0.00 0.00 33.47 28.63 1tgz s TRP 410 CO 0.22 -1.18 1.05 -0.51 0.02 0.00 0.00 176.95 176.55 1tgz s LEU 411 N 1.40 3.84 0.42 2.99 1.43 -1.26 -4.67 118.68 122.82 1tgz s LEU 411 Ca 0.57 1.95 0.07 0.00 -1.03 0.00 0.00 54.13 55.69 1tgz s LEU 411 Cb -0.27 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.34 1tgz s LEU 411 CO 0.27 -0.81 0.21 0.54 0.23 0.00 0.00 176.35 176.79 1tgz s ASN 412 N -1.96 4.51 0.29 2.29 4.22 -1.26 -4.96 114.94 118.07 1tgz s ASN 412 Ca 0.68 -1.04 0.03 0.00 -2.14 0.00 0.00 52.86 50.39 1tgz s ASN 412 Cb -0.17 -0.46 0.64 0.00 1.28 0.00 0.00 41.25 42.54 1tgz s ASN 412 CO 0.20 -0.58 1.80 -2.24 -2.04 0.00 0.00 177.10 174.25 1tgz h ASP 413 N 1.35 0.85 -0.18 3.54 2.03 -1.99 -2.59 116.42 119.43 1tgz h ASP 413 Ca -0.42 0.07 0.05 0.00 -0.73 0.00 0.00 57.03 56.00 1tgz h ASP 413 Cb 1.26 -0.09 -0.05 0.00 -0.83 0.00 0.00 39.33 39.61 1tgz h ASP 413 CO 0.68 0.38 -0.15 -0.33 -1.03 0.00 0.00 179.24 178.79 1tgz h GLU 414 N 0.88 -0.16 0.39 4.15 4.39 -1.97 0.39 114.58 122.65 1tgz h GLU 414 Ca 0.53 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.23 1tgz h GLU 414 Cb 0.68 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1tgz h GLU 414 CO -0.32 -0.11 -0.22 0.28 -1.16 0.00 0.00 179.01 177.49 1tgz h VAL 415 N -0.16 0.55 0.47 3.13 2.07 -1.81 -2.25 116.25 118.26 1tgz h VAL 415 Ca 0.11 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 1tgz h VAL 415 Cb 0.33 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1tgz h VAL 415 CO -0.28 0.00 -0.38 0.40 0.02 0.00 0.00 177.57 177.33 1tgz h ILE 416 N -0.57 0.23 -0.89 4.57 2.04 -1.27 0.12 117.51 121.73 1tgz h ILE 416 Ca -0.05 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.96 1tgz h ILE 416 Cb 0.45 0.23 -0.09 0.00 -0.74 0.00 0.00 36.82 36.67 1tgz h ILE 416 CO 0.07 0.00 0.50 0.78 0.00 0.00 0.00 178.15 179.49 1tgz h ASN 417 N -0.84 0.64 -0.15 1.72 2.35 -0.98 0.43 115.58 118.75 1tgz h ASN 417 Ca -0.05 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1tgz h ASN 417 Cb 0.72 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 1tgz h ASN 417 CO -0.01 0.28 0.04 0.15 -1.65 0.00 0.00 177.43 176.25 1tgz h PHE 418 N 0.71 0.24 -0.44 1.19 3.57 -1.06 -2.13 116.94 119.02 1tgz h PHE 418 Ca 0.48 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.95 1tgz h PHE 418 Cb 0.65 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1tgz h PHE 418 CO -0.06 0.36 0.25 -0.92 -2.23 0.00 0.00 178.31 175.70 1tgz h TYR 419 N 0.05 0.60 -0.70 0.41 3.20 0.46 -1.28 116.97 119.72 1tgz h TYR 419 Ca 0.05 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.10 1tgz h TYR 419 Cb 0.23 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 1tgz h TYR 419 CO 0.00 0.44 0.50 1.98 -1.64 0.00 0.00 178.16 179.44 1tgz h MET 420 N 0.58 0.05 0.16 1.82 4.05 -0.02 -0.35 114.93 121.22 1tgz h MET 420 Ca 0.16 -0.00 -0.30 0.00 -0.28 0.00 0.00 59.70 59.27 1tgz h MET 420 Cb 0.04 -0.01 0.01 0.00 -0.80 0.00 0.00 31.60 30.84 1tgz h MET 420 CO -0.03 0.04 -1.39 -0.91 0.23 0.00 0.00 176.91 174.85 1tgz h ASN 421 N 0.06 0.55 0.09 1.39 2.35 -0.58 -3.22 115.58 116.20 1tgz h ASN 421 Ca 0.34 -0.62 -0.03 0.00 -0.55 0.00 0.00 56.30 55.44 1tgz h ASN 421 Cb 1.26 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.45 1tgz h ASN 421 CO -0.02 1.49 -0.11 -0.07 -1.65 0.00 0.00 177.43 177.07 1tgz h LEU 422 N 0.10 0.05 -0.52 1.61 3.38 -0.19 -1.78 115.31 117.96 1tgz h LEU 422 Ca -0.20 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 1tgz h LEU 422 Cb 2.04 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.76 1tgz h LEU 422 CO 0.22 0.17 0.14 -0.07 0.09 0.00 0.00 178.44 178.99 1tgz h LEU 423 N 0.06 0.78 -0.56 1.67 3.38 -1.33 0.14 115.31 119.44 1tgz h LEU 423 Ca 0.01 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1tgz h LEU 423 Cb 0.23 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1tgz h LEU 423 CO 0.02 0.80 0.17 0.58 0.09 0.00 0.00 178.44 180.09 1tgz h VAL 424 N 0.72 1.24 -0.64 1.22 2.07 -1.36 0.84 116.25 120.34 1tgz h VAL 424 Ca 0.17 -0.80 -0.08 0.00 0.82 0.00 0.00 66.70 66.80 1tgz h VAL 424 Cb 0.31 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1tgz h VAL 424 CO -0.00 0.30 0.09 -0.33 0.02 0.00 0.00 177.57 177.64 1tgz h GLU 425 N 0.78 1.08 0.87 1.57 4.39 -1.17 0.56 114.58 122.66 1tgz h GLU 425 Ca 0.18 -0.30 -0.04 0.00 0.34 0.00 0.00 59.36 59.54 1tgz h GLU 425 Cb 0.28 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1tgz h GLU 425 CO -0.01 1.01 -0.46 -0.09 -1.16 0.00 0.00 179.01 178.30 1tgz h ARG 426 N 0.99 -1.18 -0.92 2.33 1.12 -0.34 0.17 114.38 116.55 1tgz h ARG 426 Ca 0.19 0.08 0.23 0.00 -1.11 0.00 0.00 59.98 59.37 1tgz h ARG 426 Cb 0.46 0.27 -0.13 0.00 -0.01 0.00 0.00 29.97 30.56 1tgz h ARG 426 CO 0.02 -0.79 0.42 -0.91 -3.11 0.00 0.00 179.97 175.60 1tgz h ASN 427 N -1.22 0.37 -0.07 -3.80 4.21 -0.71 0.43 115.58 114.79 1tgz h ASN 427 Ca -0.12 0.16 -0.00 0.00 1.21 0.00 0.00 56.30 57.54 1tgz h ASN 427 Cb 0.95 0.13 -0.00 0.00 -1.12 0.00 0.00 38.32 38.28 1tgz h ASN 427 CO 0.17 -0.00 0.03 0.50 -1.29 0.00 0.00 177.43 176.84 1tgz h LYS 428 N 0.41 0.09 -0.00 0.81 3.64 -0.33 -0.21 116.57 120.98 1tgz h LYS 428 Ca 0.58 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.95 1tgz h LYS 428 Cb 1.13 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1tgz h LYS 428 CO -0.53 0.19 -0.01 0.36 -2.27 0.00 0.00 179.45 177.18 1tgz n LYS 429 N -4.97 1.07 -0.00 1.90 2.85 -0.00 -3.63 118.16 115.37 1tgz n LYS 429 Ca -0.06 -0.23 0.05 0.00 -1.05 0.00 0.00 58.31 57.02 1tgz n LYS 429 Cb 0.09 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 32.90 1tgz n LYS 429 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1tgz n GLN 430 N -0.76 1.27 -0.44 -1.58 1.13 0.04 -5.01 117.38 112.03 1tgz n GLN 430 Ca 0.21 -0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 1tgz n GLN 430 Cb 0.19 -1.17 0.00 0.00 0.11 0.00 0.00 30.24 29.37 1tgz n GLN 430 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1tgz n GLY 431 N 1.71 0.74 3.91 1.08 0.00 -0.20 -5.05 105.19 107.39 1tgz n GLY 431 Ca -0.01 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 1tgz n GLY 431 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tgz s TYR 432 N -2.00 3.18 0.39 1.61 1.51 -0.56 -4.99 117.35 116.50 1tgz s TYR 432 Ca 0.00 0.67 -0.22 0.00 -1.01 0.00 0.00 57.07 56.51 1tgz s TYR 432 Cb 0.00 -2.92 -0.15 0.00 -0.11 0.00 0.00 41.96 38.78 1tgz s TYR 432 CO 0.00 -1.04 0.19 -2.30 -1.11 0.00 0.00 175.55 171.29 1tgz n PRO 433 N -2.75 0.08 -1.70 -1.71 -0.02 -1.26 -4.65 135.00 122.99 1tgz n PRO 433 Ca 0.06 0.03 -0.43 0.00 -2.02 0.00 0.00 63.50 61.14 1tgz n PRO 433 Cb 0.58 -1.07 -0.03 0.00 -0.02 0.00 0.00 33.50 32.96 1tgz n PRO 433 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tgz s ALA 434 N -1.59 2.75 -0.17 3.55 0.00 -1.26 -4.81 121.76 120.22 1tgz s ALA 434 Ca 0.60 0.66 -0.08 0.00 0.00 0.00 0.00 51.96 53.15 1tgz s ALA 434 Cb -0.66 -4.06 -0.04 0.00 0.00 0.00 0.00 23.12 18.36 1tgz s ALA 434 CO 0.61 -2.77 0.08 -1.17 0.00 0.00 0.00 175.76 172.52 1tgz s LEU 435 N 8.02 3.93 -0.01 0.00 2.96 -1.26 -1.82 118.68 130.49 1tgz s LEU 435 Ca 0.96 0.15 0.07 0.00 -0.22 0.00 0.00 54.13 55.09 1tgz s LEU 435 Cb -0.30 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.38 1tgz s LEU 435 CO 0.35 0.21 -0.23 -2.28 -1.32 0.00 0.00 176.35 173.08 1tgz s HIS 436 N 0.17 2.04 -0.04 5.38 5.65 -0.46 -4.86 115.29 123.17 1tgz s HIS 436 Ca 0.06 -0.38 0.04 0.00 0.25 0.00 0.00 55.06 55.03 1tgz s HIS 436 Cb -0.12 -1.31 -0.00 0.00 -1.18 0.00 0.00 32.58 29.97 1tgz s HIS 436 CO 0.00 -0.03 -0.18 0.08 -0.65 0.00 0.00 174.74 173.97 1tgz s VAL 437 N -0.55 1.46 0.21 0.89 1.01 -1.26 -1.18 120.40 120.98 1tgz s VAL 437 Ca 0.09 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 1tgz s VAL 437 Cb -0.09 -1.25 -0.06 0.00 0.00 0.00 0.00 36.38 34.98 1tgz s VAL 437 CO -0.01 0.42 0.48 -0.36 0.00 0.00 0.00 175.10 175.63 1tgz s PHE 438 N -0.01 3.46 0.51 5.22 0.40 -0.36 -4.98 117.98 122.23 1tgz s PHE 438 Ca -0.03 0.67 -0.20 0.00 -0.60 0.00 0.00 56.93 56.77 1tgz s PHE 438 Cb -0.11 -2.10 -0.07 0.00 0.51 0.00 0.00 43.02 41.24 1tgz s PHE 438 CO 0.02 0.31 1.09 0.45 0.70 0.00 0.00 175.22 177.80 1tgz s SER 439 N -2.63 6.01 0.64 1.36 0.15 -1.26 -4.38 113.70 113.58 1tgz s SER 439 Ca 0.44 2.08 0.33 0.00 0.70 0.00 0.00 55.95 59.50 1tgz s SER 439 Cb -0.11 -2.57 1.79 0.00 -1.71 0.00 0.00 66.02 63.41 1tgz s SER 439 CO 0.25 -1.02 2.00 0.71 1.20 0.00 0.00 173.24 176.39 1tgz h THR 440 N 1.39 0.00 0.00 6.45 1.35 -1.93 0.22 112.91 120.40 1tgz h THR 440 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1tgz h THR 440 Cb 1.24 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1tgz h THR 440 CO 0.58 0.00 -0.47 -0.26 -0.25 0.00 0.00 175.52 175.12 1tgz h PHE 441 N 0.00 0.00 0.03 4.73 -1.00 -1.90 -3.41 116.94 115.39 1tgz h PHE 441 Ca 0.00 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 1tgz h PHE 441 Cb 0.46 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.02 1tgz h PHE 441 CO 0.00 0.00 -0.04 0.35 -1.61 0.00 0.00 178.31 177.01 1tgz h PHE 442 N 0.00 -0.10 -0.51 -0.55 3.57 -0.90 -2.71 116.94 115.74 1tgz h PHE 442 Ca 0.00 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1tgz h PHE 442 Cb 0.78 0.04 -0.10 0.00 2.79 0.00 0.00 35.95 39.45 1tgz h PHE 442 CO 0.00 -0.04 -0.28 -0.92 -2.23 0.00 0.00 178.31 174.84 1tgz h TYR 443 N -0.06 -0.73 -0.20 0.41 3.20 -1.78 -0.08 116.97 117.72 1tgz h TYR 443 Ca -0.00 0.06 0.06 0.00 3.14 0.00 0.00 58.73 61.98 1tgz h TYR 443 Cb 0.06 0.40 -0.07 0.00 1.54 0.00 0.00 36.73 38.66 1tgz h TYR 443 CO -0.15 -0.35 -0.28 -1.35 -1.64 0.00 0.00 178.16 174.39 1tgz h PRO 444 N -0.15 -0.30 -0.07 1.82 0.11 -1.80 0.50 132.00 132.11 1tgz h PRO 444 Ca 0.22 0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.38 1tgz h PRO 444 Cb 0.51 0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.66 1tgz h PRO 444 CO -0.60 -0.20 -0.12 -0.22 -0.21 0.00 0.00 178.00 176.65 1tgz h LYS 445 N -0.31 -0.17 -0.31 1.05 1.63 -1.07 -1.33 116.57 116.06 1tgz h LYS 445 Ca 0.12 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 60.00 1tgz h LYS 445 Cb 0.50 0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 32.10 1tgz h LYS 445 CO -0.38 -0.11 -0.10 1.25 -3.45 0.00 0.00 179.45 176.66 1tgz h LEU 446 N -0.17 -0.36 -0.52 5.20 5.85 -0.32 0.60 115.31 125.59 1tgz h LEU 446 Ca 0.07 0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.99 1tgz h LEU 446 Cb 0.27 0.22 -0.11 0.00 0.37 0.00 0.00 40.66 41.41 1tgz h LEU 446 CO -0.17 -0.13 -0.26 0.50 -0.34 0.00 0.00 178.44 178.04 1tgz h LYS 447 N -0.04 -0.14 0.16 1.25 1.63 0.60 0.27 116.57 120.32 1tgz h LYS 447 Ca 0.15 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 1tgz h LYS 447 Cb 0.27 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1tgz h LYS 447 CO -0.34 -0.09 -0.08 0.66 -3.45 0.00 0.00 179.45 176.15 1tgz h SER 448 N -0.14 -0.19 -0.49 4.20 4.64 -0.67 -3.37 113.55 117.53 1tgz h SER 448 Ca 0.23 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1tgz h SER 448 Cb 0.51 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1tgz h SER 448 CO -0.60 0.37 0.00 0.61 -0.87 0.00 0.00 176.83 176.34 1tgz n GLY 449 N 0.70 1.96 4.94 -0.77 0.00 0.15 -5.07 105.19 107.10 1tgz n GLY 449 Ca -0.07 -0.62 0.07 0.00 0.00 0.00 0.00 46.02 45.40 1tgz n GLY 449 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tgz n GLY 450 N 0.98 -1.24 0.33 -0.02 0.00 0.95 -3.27 105.19 102.92 1tgz n GLY 450 Ca 0.19 -1.01 0.11 0.00 0.00 0.00 0.00 46.02 45.31 1tgz n GLY 450 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1tgz h TYR 451 N -0.49 0.88 -0.93 1.61 3.20 -1.95 -2.69 116.97 116.60 1tgz h TYR 451 Ca 0.01 0.04 0.12 0.00 3.14 0.00 0.00 58.73 62.04 1tgz h TYR 451 Cb 0.48 -0.25 -0.08 0.00 1.54 0.00 0.00 36.73 38.41 1tgz h TYR 451 CO 0.00 0.15 0.56 1.96 -1.64 0.00 0.00 178.16 179.19 1tgz h GLN 452 N 0.63 0.84 0.00 1.82 1.08 -1.97 0.43 115.11 117.94 1tgz h GLN 452 Ca 0.54 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.67 1tgz h GLN 452 Cb 0.87 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 28.11 1tgz h GLN 452 CO -0.41 0.56 -0.11 0.00 -0.95 0.00 0.00 178.83 177.92 1tgz h ALA 453 N 1.53 1.66 -0.00 3.87 0.00 -1.46 -3.13 119.26 121.72 1tgz h ALA 453 Ca 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1tgz h ALA 453 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1tgz h ALA 453 CO -0.28 0.14 -0.06 1.33 0.00 0.00 0.00 179.25 180.37 1tgz n VAL 454 N -4.18 0.00 -0.34 0.00 0.24 -0.88 -4.78 118.33 108.39 1tgz n VAL 454 Ca -0.03 -0.47 0.08 0.00 -2.04 0.00 0.00 64.34 61.88 1tgz n VAL 454 Cb 0.19 1.07 0.17 0.00 -1.47 0.00 0.00 33.84 33.80 1tgz n VAL 454 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1tgz n LYS 455 N -0.13 -0.08 -0.18 7.34 4.81 0.09 0.11 118.16 130.11 1tgz n LYS 455 Ca 0.02 1.45 0.03 0.00 -0.87 0.00 0.00 58.31 58.94 1tgz n LYS 455 Cb 0.11 -2.20 0.11 0.00 0.02 0.00 0.00 35.03 33.07 1tgz n LYS 455 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1tgz n ARG 456 N -5.50 1.81 0.18 1.64 1.74 -1.26 -3.93 116.66 111.34 1tgz n ARG 456 Ca 0.17 -0.85 0.07 0.00 -0.77 0.00 0.00 57.85 56.46 1tgz n ARG 456 Cb 0.53 -1.43 0.11 0.00 -1.02 0.00 0.00 32.46 30.65 1tgz n ARG 456 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1tgz h TRP 457 N 1.23 0.00 -1.28 -1.55 4.06 0.37 -3.30 115.95 115.48 1tgz h TRP 457 Ca 0.00 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.39 1tgz h TRP 457 Cb 0.59 0.00 -0.42 0.00 -1.00 0.00 0.00 29.16 28.33 1tgz h TRP 457 CO 0.23 0.26 -0.79 0.25 -3.56 0.00 0.00 178.44 174.84 1tgz n THR 458 N -3.17 2.30 -0.04 1.49 -2.24 -1.25 -4.86 114.28 106.50 1tgz n THR 458 Ca 0.03 -4.62 -0.13 0.00 -2.27 0.00 0.00 64.05 57.06 1tgz n THR 458 Cb 0.63 -1.07 -0.09 0.00 -2.10 0.00 0.00 70.33 67.70 1tgz n THR 458 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1tgz h LYS 459 N 2.51 0.21 -1.00 -0.78 1.63 -1.81 -3.14 116.57 114.20 1tgz h LYS 459 Ca 0.28 -0.13 -0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1tgz h LYS 459 Cb 1.09 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.73 1tgz h LYS 459 CO 0.79 0.70 0.00 0.41 -3.45 0.00 0.00 179.45 177.90 1tgz n GLY 460 N 0.36 1.63 3.41 5.01 0.00 -1.26 -4.87 105.19 109.46 1tgz n GLY 460 Ca -0.07 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 1tgz n GLY 460 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tgz s VAL 461 N -0.82 0.02 -0.49 1.61 0.11 -1.19 -5.11 120.40 114.53 1tgz s VAL 461 Ca 0.01 -0.18 -0.13 0.00 -2.93 0.00 0.00 61.98 58.75 1tgz s VAL 461 Cb 0.01 -0.98 0.11 0.00 -1.53 0.00 0.00 36.38 33.98 1tgz s VAL 461 CO 0.00 -0.10 0.40 0.21 -3.33 0.00 0.00 175.10 172.29 1tgz s ASN 462 N -1.99 5.95 0.22 3.54 3.84 -1.26 -4.93 114.94 120.30 1tgz s ASN 462 Ca -0.05 -1.74 -0.09 0.00 0.21 0.00 0.00 52.86 51.19 1tgz s ASN 462 Cb -0.01 -2.11 0.33 0.00 -0.55 0.00 0.00 41.25 38.91 1tgz s ASN 462 CO -0.02 -0.74 1.69 -0.07 -2.79 0.00 0.00 177.10 175.18 1tgz h LEU 463 N 8.66 -0.05 -0.17 3.21 3.38 -1.98 -1.66 115.31 126.70 1tgz h LEU 463 Ca -0.26 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1tgz h LEU 463 Cb 1.09 0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1tgz h LEU 463 CO 0.92 -0.02 0.00 0.49 0.09 0.00 0.00 178.44 179.92 1tgz n PHE 464 N -5.16 0.15 1.09 1.13 3.01 -1.26 -0.95 117.46 115.47 1tgz n PHE 464 Ca 0.10 0.06 0.13 0.00 1.01 0.00 0.00 57.45 58.75 1tgz n PHE 464 Cb 0.36 -0.60 0.38 0.00 -0.01 0.00 0.00 39.48 39.60 1tgz n PHE 464 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1tgz n GLU 465 N -1.64 0.21 -1.59 -1.08 1.02 -0.63 -4.86 120.64 112.07 1tgz n GLU 465 Ca 0.02 -0.10 -0.28 0.00 -0.02 0.00 0.00 57.16 56.78 1tgz n GLU 465 Cb 0.14 -1.50 0.21 0.00 -0.02 0.00 0.00 31.44 30.27 1tgz n GLU 465 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1tgz n GLN 466 N -1.30 -1.75 -0.01 3.49 1.13 -0.12 -5.04 117.38 113.78 1tgz n GLN 466 Ca 0.08 -1.89 -0.01 0.00 -1.94 0.00 0.00 57.00 53.24 1tgz n GLN 466 Cb 0.33 -1.38 -0.01 0.00 0.11 0.00 0.00 30.24 29.29 1tgz n GLN 466 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1tgz n GLU 467 N -3.98 0.03 -4.05 -1.09 1.02 -0.76 -4.83 120.64 106.99 1tgz n GLU 467 Ca 0.16 0.01 -0.19 0.00 -0.02 0.00 0.00 57.16 57.11 1tgz n GLU 467 Cb 0.56 -0.92 -0.16 0.00 -0.02 0.00 0.00 31.44 30.90 1tgz n GLU 467 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1tgz s ILE 468 N -2.03 0.40 -0.16 -3.67 1.01 -0.82 -1.86 121.20 114.06 1tgz s ILE 468 Ca -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 60.65 60.59 1tgz s ILE 468 Cb 0.01 -0.46 -0.01 0.00 0.01 0.00 0.00 42.46 42.01 1tgz s ILE 468 CO 0.03 0.20 -0.12 -0.63 0.00 0.00 0.00 174.94 174.41 1tgz s ILE 469 N 1.03 2.91 -0.20 2.92 1.01 0.11 -1.35 121.20 127.63 1tgz s ILE 469 Ca -0.09 -0.68 -0.08 0.00 0.00 0.00 0.00 60.65 59.79 1tgz s ILE 469 Cb -0.14 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 1tgz s ILE 469 CO -0.01 0.50 0.09 -0.76 0.00 0.00 0.00 174.94 174.76 1tgz s LEU 470 N 0.87 3.91 -0.28 2.97 1.43 -0.33 0.09 118.68 127.35 1tgz s LEU 470 Ca -0.03 0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1tgz s LEU 470 Cb -0.15 -2.01 0.08 0.00 0.03 0.00 0.00 46.19 44.14 1tgz s LEU 470 CO -0.00 0.15 0.01 -0.69 0.23 0.00 0.00 176.35 176.05 1tgz s VAL 471 N 0.55 1.50 0.16 -1.59 1.01 -0.29 -1.22 120.40 120.51 1tgz s VAL 471 Ca 0.05 -1.51 -0.31 0.00 0.00 0.00 0.00 61.98 60.21 1tgz s VAL 471 Cb -0.12 -1.95 -0.08 0.00 0.00 0.00 0.00 36.38 34.22 1tgz s VAL 471 CO 0.01 -0.38 1.36 -2.84 0.00 0.00 0.00 175.10 173.25 1tgz s PRO 472 N 1.35 4.34 -0.24 2.72 0.02 -1.26 -1.76 135.00 140.17 1tgz s PRO 472 Ca 0.02 2.08 -0.03 0.00 0.02 0.00 0.00 61.00 63.09 1tgz s PRO 472 Cb -0.18 -3.22 0.01 0.00 0.02 0.00 0.00 34.50 31.13 1tgz s PRO 472 CO -0.12 -0.36 -0.04 0.42 -0.33 0.00 0.00 177.00 176.57 1tgz s ILE 473 N 0.65 3.17 -0.51 2.83 1.01 0.33 -4.65 121.20 124.04 1tgz s ILE 473 Ca 0.61 -0.76 -0.16 0.00 0.00 0.00 0.00 60.65 60.34 1tgz s ILE 473 Cb -0.37 -2.53 0.10 0.00 0.01 0.00 0.00 42.46 39.67 1tgz s ILE 473 CO 0.34 0.29 0.45 -2.28 0.00 0.00 0.00 174.94 173.74 1tgz s HIS 474 N 1.41 3.25 0.40 3.97 5.65 -1.26 -0.80 115.29 127.91 1tgz s HIS 474 Ca 0.03 -1.14 0.02 0.00 0.25 0.00 0.00 55.06 54.23 1tgz s HIS 474 Cb -0.16 -3.50 -0.01 0.00 -1.18 0.00 0.00 32.58 27.74 1tgz s HIS 474 CO -0.04 -0.92 0.59 1.03 -0.65 0.00 0.00 174.74 174.76 1tgz s ARG 475 N 1.61 3.12 0.14 2.88 0.52 -0.95 -4.87 118.95 121.40 1tgz s ARG 475 Ca 0.04 -0.64 -0.34 0.00 -0.52 0.00 0.00 55.73 54.26 1tgz s ARG 475 Cb -0.27 -2.65 -0.16 0.00 0.52 0.00 0.00 34.95 32.39 1tgz s ARG 475 CO 0.05 -0.12 1.28 1.17 0.02 0.00 0.00 175.30 177.69 1tgz n LYS 476 N -1.91 1.30 -0.50 3.54 4.81 -1.26 -2.00 118.16 122.13 1tgz n LYS 476 Ca 0.00 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 1tgz n LYS 476 Cb 0.58 -2.05 0.00 0.00 0.02 0.00 0.00 35.03 33.58 1tgz n LYS 476 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1tgz n VAL 477 N 2.04 0.00 -3.63 3.15 0.24 -1.26 -4.90 118.33 113.96 1tgz n VAL 477 Ca 0.16 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.35 1tgz n VAL 477 Cb 0.23 -0.50 -0.07 0.00 -1.47 0.00 0.00 33.84 32.04 1tgz n VAL 477 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 1tgz s HIS 478 N -0.57 -0.68 0.31 6.34 -3.43 -0.85 -5.11 115.29 111.29 1tgz s HIS 478 Ca 0.00 1.62 -0.27 0.00 -0.80 0.00 0.00 55.06 55.61 1tgz s HIS 478 Cb 0.00 0.34 -0.10 0.00 -1.43 0.00 0.00 32.58 31.39 1tgz s HIS 478 CO 0.00 -0.33 0.94 -1.58 -2.00 0.00 0.00 174.74 171.77 1tgz s TRP 479 N 0.46 3.74 0.23 0.38 0.52 -1.26 -2.25 118.94 120.76 1tgz s TRP 479 Ca 0.00 1.80 -0.04 0.00 0.02 0.00 0.00 56.10 57.88 1tgz s TRP 479 Cb -0.05 -2.93 -0.03 0.00 -1.15 0.00 0.00 33.47 29.31 1tgz s TRP 479 CO -0.04 0.25 0.25 0.45 0.02 0.00 0.00 176.95 177.88 1tgz s SER 480 N -1.54 0.18 0.02 2.95 0.15 0.02 -4.65 113.70 110.82 1tgz s SER 480 Ca 0.49 -1.28 0.00 0.00 0.70 0.00 0.00 55.95 55.86 1tgz s SER 480 Cb -0.20 0.46 -0.02 0.00 -1.71 0.00 0.00 66.02 64.55 1tgz s SER 480 CO 0.25 -0.95 -0.03 -0.22 1.20 0.00 0.00 173.24 173.48 1tgz s LEU 481 N -3.13 2.21 -0.05 3.45 2.96 -0.85 -0.51 118.68 122.76 1tgz s LEU 481 Ca 0.34 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.83 1tgz s LEU 481 Cb 0.04 0.06 0.01 0.00 0.50 0.00 0.00 46.19 46.81 1tgz s LEU 481 CO 0.12 -0.25 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.11 1tgz s VAL 482 N -1.27 0.96 -0.16 1.68 1.01 -0.72 -0.93 120.40 120.96 1tgz s VAL 482 Ca -0.13 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 1tgz s VAL 482 Cb -0.09 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 1tgz s VAL 482 CO -0.01 0.31 -0.10 -0.69 0.00 0.00 0.00 175.10 174.62 1tgz s VAL 483 N 0.60 3.21 -0.23 2.92 1.01 0.12 -1.14 120.40 126.88 1tgz s VAL 483 Ca -0.12 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 1tgz s VAL 483 Cb -0.14 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 1tgz s VAL 483 CO 0.02 0.49 0.01 -0.63 0.00 0.00 0.00 175.10 175.00 1tgz s ILE 484 N 0.69 3.89 -0.54 2.22 1.01 0.11 -0.50 121.20 128.09 1tgz s ILE 484 Ca -0.05 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.21 1tgz s ILE 484 Cb -0.15 -2.79 0.14 0.00 0.01 0.00 0.00 42.46 39.66 1tgz s ILE 484 CO 0.02 0.39 0.40 -0.62 0.00 0.00 0.00 174.94 175.13 1tgz s ASP 485 N 1.45 5.66 0.39 3.58 -1.08 -0.18 0.09 116.67 126.59 1tgz s ASP 485 Ca 0.05 -2.23 0.10 0.00 -0.52 0.00 0.00 52.55 49.95 1tgz s ASP 485 Cb -0.15 -1.98 0.87 0.00 -1.46 0.00 0.00 42.92 40.21 1tgz s ASP 485 CO 0.01 -0.59 1.93 -0.07 0.52 0.00 0.00 175.17 176.97 1tgz h LEU 486 N 8.00 0.55 -1.08 -1.34 3.38 -1.66 -0.76 115.31 122.41 1tgz h LEU 486 Ca -0.12 0.02 0.09 0.00 0.09 0.00 0.00 57.88 57.96 1tgz h LEU 486 Cb 1.04 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 1tgz h LEU 486 CO 0.79 0.32 0.62 0.03 0.09 0.00 0.00 178.44 180.30 1tgz h ARG 487 N 0.61 1.00 -0.14 1.13 3.08 -1.88 -2.87 114.38 115.31 1tgz h ARG 487 Ca 0.35 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1tgz h ARG 487 Cb 0.54 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1tgz h ARG 487 CO -0.13 0.66 0.00 0.36 -1.07 0.00 0.00 179.97 179.80 1tgz n LYS 488 N -4.54 2.30 -3.90 0.04 2.85 -0.67 -5.01 118.16 109.23 1tgz n LYS 488 Ca 0.16 -2.50 -0.39 0.00 -1.05 0.00 0.00 58.31 54.53 1tgz n LYS 488 Cb 0.27 -1.55 0.03 0.00 -0.65 0.00 0.00 35.03 33.13 1tgz n LYS 488 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1tgz n LYS 489 N -0.75 -0.69 -3.76 -1.58 4.76 -0.38 -4.87 118.16 110.90 1tgz n LYS 489 Ca 0.16 0.29 -0.13 0.00 -2.87 0.00 0.00 58.31 55.76 1tgz n LYS 489 Cb 0.67 -3.06 -0.11 0.00 -1.84 0.00 0.00 35.03 30.69 1tgz n LYS 489 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1tgz s LEU 491 N 0.10 3.10 -0.11 0.00 1.02 0.18 -1.01 118.68 121.97 1tgz s LEU 491 Ca -0.01 -0.20 0.03 0.00 0.02 0.00 0.00 54.13 53.98 1tgz s LEU 491 Cb -0.03 -1.74 0.00 0.00 0.02 0.00 0.00 46.19 44.44 1tgz s LEU 491 CO 0.01 0.14 -0.23 -0.75 0.02 0.00 0.00 176.35 175.54 1tgz s LYS 492 N 0.51 2.96 -0.26 1.70 2.20 0.34 -2.52 119.74 124.67 1tgz s LYS 492 Ca -0.04 -0.84 -0.07 0.00 -0.36 0.00 0.00 55.97 54.65 1tgz s LYS 492 Cb -0.15 -2.29 -0.02 0.00 -1.51 0.00 0.00 37.83 33.87 1tgz s LYS 492 CO 0.03 0.11 0.07 -0.47 -0.36 0.00 0.00 175.35 174.73 1tgz s TYR 493 N 0.51 3.09 -0.06 4.03 5.04 -1.03 0.11 117.35 129.04 1tgz s TYR 493 Ca -0.15 -0.57 0.03 0.00 -2.44 0.00 0.00 57.07 53.94 1tgz s TYR 493 Cb -0.17 -2.24 -0.02 0.00 0.35 0.00 0.00 41.96 39.88 1tgz s TYR 493 CO 0.05 -0.42 -0.14 -0.51 -1.34 0.00 0.00 175.55 173.19 1tgz s LEU 494 N 1.58 2.73 -0.13 6.97 1.02 -0.11 -2.04 118.68 128.71 1tgz s LEU 494 Ca 0.06 -0.21 -0.05 0.00 0.02 0.00 0.00 54.13 53.95 1tgz s LEU 494 Cb -0.15 -1.56 0.06 0.00 0.02 0.00 0.00 46.19 44.56 1tgz s LEU 494 CO 0.03 0.32 0.25 -0.62 0.02 0.00 0.00 176.35 176.35 1tgz s ASP 495 N -0.57 0.42 0.00 2.29 -1.08 -1.26 -2.01 116.67 114.46 1tgz s ASP 495 Ca 0.08 0.54 0.09 0.00 -0.52 0.00 0.00 52.55 52.74 1tgz s ASP 495 Cb -0.11 0.66 0.52 0.00 -1.46 0.00 0.00 42.92 42.52 1tgz s ASP 495 CO 0.01 -0.24 1.09 -1.54 0.52 0.00 0.00 175.17 175.00 1tgz n SER 496 N 5.35 0.00 -0.71 -0.34 3.41 -1.26 -2.14 113.62 117.92 1tgz n SER 496 Ca -0.06 -1.12 0.06 0.00 -0.26 0.00 0.00 58.87 57.49 1tgz n SER 496 Cb 0.50 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.60 1tgz n SER 496 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1tgz n MET 497 N -0.69 1.16 -4.13 4.33 2.81 -1.26 -1.10 117.12 118.23 1tgz n MET 497 Ca 0.06 -2.85 -0.32 0.00 -1.81 0.00 0.00 57.70 52.78 1tgz n MET 497 Cb 0.03 -1.23 -0.03 0.00 -0.71 0.00 0.00 33.22 31.29 1tgz n MET 497 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1tgz n GLY 498 N -0.78 -0.35 3.15 3.03 0.00 -0.91 -4.99 105.19 104.33 1tgz n GLY 498 Ca 0.15 0.14 -0.20 0.00 0.00 0.00 0.00 46.02 46.11 1tgz n GLY 498 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tgz n GLN 499 N -4.41 -0.26 -4.82 1.61 1.13 -1.26 -4.88 117.38 104.49 1tgz n GLN 499 Ca -0.08 -2.07 -0.31 0.00 -1.94 0.00 0.00 57.00 52.61 1tgz n GLN 499 Cb 0.57 -0.69 -0.14 0.00 0.11 0.00 0.00 30.24 30.09 1tgz n GLN 499 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1tgz s LYS 500 N -4.80 2.02 -0.17 -1.09 -0.14 -1.26 -4.83 119.74 109.46 1tgz s LYS 500 Ca 0.56 -1.00 0.16 0.00 -1.36 0.00 0.00 55.97 54.33 1tgz s LYS 500 Cb -0.03 -2.12 0.57 0.00 -1.68 0.00 0.00 37.83 34.58 1tgz s LYS 500 CO 0.38 0.54 1.48 0.41 -0.76 0.00 0.00 175.35 177.39 1tgz n GLY 501 N 1.76 3.72 0.00 -3.33 0.00 -1.26 -4.82 105.19 101.26 1tgz n GLY 501 Ca -0.16 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1tgz n GLY 501 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1tgz n HIS 502 N -0.18 0.00 -0.07 1.61 1.44 -1.26 -0.26 115.22 116.50 1tgz n HIS 502 Ca 0.22 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.86 1tgz n HIS 502 Cb 0.92 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 31.02 1tgz n HIS 502 CO 0.00 0.00 0.00 -0.09 -2.81 0.00 0.00 176.34 173.44 1tgz h ARG 503 N 0.00 0.01 -0.77 -1.40 2.43 -2.01 -2.68 114.38 109.96 1tgz h ARG 503 Ca 0.00 -0.00 0.17 0.00 -0.81 0.00 0.00 59.98 59.34 1tgz h ARG 503 Cb 0.00 -0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 29.41 1tgz h ARG 503 CO 0.00 0.01 -0.02 0.82 -1.51 0.00 0.00 179.97 179.27 1tgz h ILE 504 N 0.01 0.31 -0.66 1.20 2.04 -1.78 0.71 117.51 119.34 1tgz h ILE 504 Ca 0.13 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 1tgz h ILE 504 Cb 0.20 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 1tgz h ILE 504 CO -0.28 0.02 0.32 0.00 0.00 0.00 0.00 178.15 178.21 1tgz h GLU 506 N 0.92 -0.53 -0.59 0.00 4.81 -0.76 0.67 114.58 119.10 1tgz h GLU 506 Ca 0.23 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.61 1tgz h GLU 506 Cb 0.12 0.12 -0.09 0.00 0.63 0.00 0.00 28.75 29.52 1tgz h GLU 506 CO -0.03 -0.35 0.07 0.82 -0.73 0.00 0.00 179.01 178.79 1tgz h ILE 507 N -0.55 0.58 -0.16 2.32 2.04 -1.06 0.24 117.51 120.92 1tgz h ILE 507 Ca -0.02 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1tgz h ILE 507 Cb 0.48 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1tgz h ILE 507 CO -0.01 0.03 0.05 -0.07 0.00 0.00 0.00 178.15 178.15 1tgz h LEU 508 N 0.19 0.23 -0.38 1.44 3.38 -0.97 0.43 115.31 119.64 1tgz h LEU 508 Ca 0.31 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.13 1tgz h LEU 508 Cb 0.48 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1tgz h LEU 508 CO -0.45 0.39 0.05 0.25 0.09 0.00 0.00 178.44 178.77 1tgz h LEU 509 N 0.07 -0.04 -0.46 1.67 5.85 -0.07 0.75 115.31 123.08 1tgz h LEU 509 Ca 0.05 0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.93 1tgz h LEU 509 Cb 0.24 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 1tgz h LEU 509 CO -0.00 0.02 -0.05 -0.61 -0.34 0.00 0.00 178.44 177.45 1tgz h GLN 510 N 0.17 0.05 -0.68 1.25 5.75 -0.31 0.20 115.11 121.56 1tgz h GLN 510 Ca 0.18 -0.00 0.15 0.00 -0.15 0.00 0.00 58.65 58.83 1tgz h GLN 510 Cb 0.23 -0.01 -0.11 0.00 1.07 0.00 0.00 27.48 28.66 1tgz h GLN 510 CO -0.26 0.04 0.06 -0.92 -2.65 0.00 0.00 178.83 175.09 1tgz h TYR 511 N 0.06 0.05 -0.54 3.99 3.20 0.13 -0.24 116.97 123.63 1tgz h TYR 511 Ca 0.23 0.05 0.01 0.00 3.14 0.00 0.00 58.73 62.16 1tgz h TYR 511 Cb 0.34 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 1tgz h TYR 511 CO -0.34 -0.15 0.34 -0.07 -1.64 0.00 0.00 178.16 176.30 1tgz h LEU 512 N 0.16 0.58 -0.61 2.82 3.38 0.83 -0.43 115.31 122.05 1tgz h LEU 512 Ca 0.37 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.42 1tgz h LEU 512 Cb 0.61 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 1tgz h LEU 512 CO -0.55 0.41 0.24 -0.61 0.09 0.00 0.00 178.44 178.03 1tgz h GLN 513 N 0.69 0.42 0.47 1.13 5.75 0.46 -0.25 115.11 123.79 1tgz h GLN 513 Ca 0.21 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.66 1tgz h GLN 513 Cb -0.03 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.43 1tgz h GLN 513 CO -0.07 0.28 -0.23 -0.44 -2.65 0.00 0.00 178.83 175.72 1tgz h ASP 514 N 0.43 -0.54 -0.98 -0.69 3.32 -0.66 -1.74 116.42 115.55 1tgz h ASP 514 Ca 0.30 -0.08 0.19 0.00 0.02 0.00 0.00 57.03 57.47 1tgz h ASP 514 Cb 0.36 0.14 -0.09 0.00 0.22 0.00 0.00 39.33 39.96 1tgz h ASP 514 CO -0.29 -0.21 0.61 -0.33 -1.72 0.00 0.00 179.24 177.30 1tgz h GLU 515 N -0.89 0.65 0.30 3.56 4.39 -0.85 1.15 114.58 122.90 1tgz h GLU 515 Ca -0.06 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1tgz h GLU 515 Cb 0.58 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1tgz h GLU 515 CO 0.11 0.43 -0.14 1.03 -1.16 0.00 0.00 179.01 179.27 1tgz h SER 516 N 0.67 -0.34 0.06 1.42 0.87 -0.98 0.64 113.55 115.89 1tgz h SER 516 Ca 0.55 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.89 1tgz h SER 516 Cb 0.98 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1tgz h SER 516 CO -0.32 0.07 -0.08 0.50 -0.53 0.00 0.00 176.83 176.48 1tgz h LYS 517 N -0.81 0.05 0.00 2.24 3.64 -0.65 0.91 116.57 121.95 1tgz h LYS 517 Ca -0.04 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1tgz h LYS 517 Cb 0.51 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1tgz h LYS 517 CO 0.07 0.13 -0.20 1.15 -2.27 0.00 0.00 179.45 178.32 1tgz h THR 518 N 0.05 0.56 0.00 1.00 2.02 0.14 -2.98 112.91 113.70 1tgz h THR 518 Ca 0.01 -1.47 -0.15 0.00 0.77 0.00 0.00 66.41 65.57 1tgz h THR 518 Cb 0.17 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1tgz h THR 518 CO 0.01 0.19 -0.73 0.11 0.37 0.00 0.00 175.52 175.47 1tgz h LYS 519 N -1.00 0.00 0.00 6.66 1.79 0.29 -3.35 116.57 120.96 1tgz h LYS 519 Ca -0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1tgz h LYS 519 Cb 0.47 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1tgz h LYS 519 CO -0.02 0.73 -0.22 2.89 -1.08 0.00 0.00 179.45 181.75 1tgz n ARG 520 N -3.60 0.73 -3.66 3.15 1.85 0.24 -5.04 116.66 110.32 1tgz n ARG 520 Ca -0.01 -1.65 -0.27 0.00 -1.00 0.00 0.00 57.85 54.92 1tgz n ARG 520 Cb 0.73 -0.95 0.01 0.00 -1.05 0.00 0.00 32.46 31.20 1tgz n ARG 520 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1tgz n ASN 521 N -0.63 -5.23 -3.65 2.89 4.05 -0.76 -4.91 115.26 107.02 1tgz n ASN 521 Ca 0.07 -0.69 -0.01 0.00 0.45 0.00 0.00 54.58 54.40 1tgz n ASN 521 Cb 0.63 -1.94 -0.07 0.00 1.23 0.00 0.00 39.78 39.64 1tgz n ASN 521 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1tgz s SER 522 N -2.60 -0.09 0.87 1.20 1.04 -1.17 -4.93 113.70 108.02 1tgz s SER 522 Ca 0.10 0.15 -0.11 0.00 0.48 0.00 0.00 55.95 56.57 1tgz s SER 522 Cb -0.01 0.54 0.11 0.00 0.10 0.00 0.00 66.02 66.76 1tgz s SER 522 CO 0.88 -0.03 1.09 -1.81 0.98 0.00 0.00 173.24 174.36 1tgz s ASP 523 N 0.49 3.71 -0.05 7.02 1.11 -1.26 -2.18 116.67 125.51 1tgz s ASP 523 Ca 0.00 1.51 -0.03 0.00 0.18 0.00 0.00 52.55 54.21 1tgz s ASP 523 Cb -0.04 -2.20 -0.04 0.00 1.07 0.00 0.00 42.92 41.72 1tgz s ASP 523 CO -0.13 -2.49 0.11 -0.76 1.18 0.00 0.00 175.17 173.08 1tgz s LEU 524 N -6.13 4.11 -1.26 1.23 1.02 -1.26 -4.93 118.68 111.46 1tgz s LEU 524 Ca 0.63 0.28 -0.18 0.00 0.02 0.00 0.00 54.13 54.88 1tgz s LEU 524 Cb -0.17 -2.25 0.08 0.00 0.02 0.00 0.00 46.19 43.86 1tgz s LEU 524 CO 0.57 0.32 1.68 0.21 0.02 0.00 0.00 176.35 179.14 1tgz s ASN 525 N -1.50 6.82 0.48 2.29 2.47 -1.26 -4.77 114.94 119.47 1tgz s ASN 525 Ca 0.21 -2.39 0.14 0.00 0.42 0.00 0.00 52.86 51.25 1tgz s ASN 525 Cb -0.12 -2.56 0.79 0.00 -1.45 0.00 0.00 41.25 37.90 1tgz s ASN 525 CO 0.11 -1.17 1.36 -0.07 -3.72 0.00 0.00 177.10 173.62 1tgz h LEU 526 N 12.34 0.00 -0.33 3.21 3.38 -1.95 0.11 115.31 132.07 1tgz h LEU 526 Ca 0.41 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.20 1tgz h LEU 526 Cb 0.89 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1tgz h LEU 526 CO 1.44 0.00 -0.51 -0.07 0.09 0.00 0.00 178.44 179.39 1tgz h LEU 527 N 0.00 0.98 -0.47 1.67 4.07 -2.03 -3.03 115.31 116.49 1tgz h LEU 527 Ca 0.00 -0.50 0.00 0.00 0.08 0.00 0.00 57.88 57.46 1tgz h LEU 527 Cb 0.95 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.41 1tgz h LEU 527 CO 0.00 1.30 0.00 -1.84 -1.08 0.00 0.00 178.44 176.82 1tgz n GLU 528 N -4.02 1.30 -4.09 1.13 0.28 0.37 -4.83 120.64 110.79 1tgz n GLU 528 Ca -0.04 -0.47 -0.32 0.00 -0.16 0.00 0.00 57.16 56.17 1tgz n GLU 528 Cb 0.61 -1.21 -0.07 0.00 1.43 0.00 0.00 31.44 32.20 1tgz n GLU 528 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1tgz s TRP 529 N -1.86 3.26 0.08 -1.84 0.52 -1.15 -4.75 118.94 113.19 1tgz s TRP 529 Ca 0.18 0.17 -0.07 0.00 0.02 0.00 0.00 56.10 56.41 1tgz s TRP 529 Cb 0.09 -1.71 -0.01 0.00 -1.15 0.00 0.00 33.47 30.69 1tgz s TRP 529 CO 0.14 0.54 0.14 0.95 0.02 0.00 0.00 176.95 178.74 1tgz s THR 530 N -1.25 0.16 -0.24 2.01 -4.23 -1.08 -5.01 115.64 106.00 1tgz s THR 530 Ca 0.25 -1.31 -0.03 0.00 -1.18 0.00 0.00 61.69 59.42 1tgz s THR 530 Cb -0.12 -1.35 0.11 0.00 1.34 0.00 0.00 72.50 72.48 1tgz s THR 530 CO 0.16 -0.72 0.25 -1.38 -0.54 0.00 0.00 174.62 172.39 1tgz s HIS 531 N -3.79 -0.34 0.04 3.99 -3.43 -1.26 -0.64 115.29 109.85 1tgz s HIS 531 Ca 0.05 0.09 -0.05 0.00 -0.80 0.00 0.00 55.06 54.35 1tgz s HIS 531 Cb 0.05 -0.39 -0.05 0.00 -1.43 0.00 0.00 32.58 30.76 1tgz s HIS 531 CO -0.10 -0.72 0.27 -1.58 -2.00 0.00 0.00 174.74 170.60 1tgz s HIS 532 N 2.34 3.55 -0.41 0.38 5.04 -1.05 -4.98 115.29 120.16 1tgz s HIS 532 Ca 0.08 0.49 -0.06 0.00 -1.54 0.00 0.00 55.06 54.03 1tgz s HIS 532 Cb -0.15 -1.93 0.10 0.00 0.04 0.00 0.00 32.58 30.63 1tgz s HIS 532 CO -0.20 0.58 0.22 0.45 -2.34 0.00 0.00 174.74 173.46 1tgz s SER 533 N -1.99 5.41 -0.15 9.88 0.15 -1.26 -2.45 113.70 123.29 1tgz s SER 533 Ca 0.31 -1.78 -0.39 0.00 0.70 0.00 0.00 55.95 54.79 1tgz s SER 533 Cb -0.13 -1.90 -0.16 0.00 -1.71 0.00 0.00 66.02 62.12 1tgz s SER 533 CO 0.20 -0.54 1.58 0.23 1.20 0.00 0.00 173.24 175.90 1tgz n MET 534 N 4.75 1.07 -3.14 5.44 2.81 -0.86 -4.93 117.12 122.24 1tgz n MET 534 Ca -0.07 0.39 -0.30 0.00 -1.81 0.00 0.00 57.70 55.91 1tgz n MET 534 Cb 0.42 -2.04 -0.04 0.00 -0.71 0.00 0.00 33.22 30.85 1tgz n MET 534 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1tgz s LYS 535 N 2.34 3.73 0.34 0.03 1.02 -1.26 -4.72 119.74 121.23 1tgz s LYS 535 Ca 0.94 0.26 0.21 0.00 0.02 0.00 0.00 55.97 57.40 1tgz s LYS 535 Cb -1.05 -2.53 1.21 0.00 -0.52 0.00 0.00 37.83 34.94 1tgz s LYS 535 CO 0.60 0.12 1.37 -2.30 -0.92 0.00 0.00 175.35 174.22 1tgz n PRO 536 N -0.95 -0.05 0.00 -1.68 -0.02 -1.26 0.65 135.00 131.69 1tgz n PRO 536 Ca 0.00 1.17 0.15 0.00 -2.02 0.00 0.00 63.50 62.81 1tgz n PRO 536 Cb 0.54 -2.16 0.85 0.00 -0.02 0.00 0.00 33.50 32.71 1tgz n PRO 536 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1tgz n HIS 537 N -4.81 0.00 -0.08 6.00 1.44 -1.26 -3.83 115.22 112.68 1tgz n HIS 537 Ca 0.34 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.91 1tgz n HIS 537 Cb 1.20 -0.04 -0.14 0.00 0.12 0.00 0.00 29.99 31.13 1tgz n HIS 537 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1tgz n GLU 538 N -0.87 0.68 -4.32 -1.40 1.02 0.21 -5.00 120.64 110.95 1tgz n GLU 538 Ca 0.22 0.13 -0.19 0.00 -0.02 0.00 0.00 57.16 57.30 1tgz n GLU 538 Cb 0.17 -1.59 -0.10 0.00 -0.02 0.00 0.00 31.44 29.89 1tgz n GLU 538 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1tgz s ILE 539 N -2.53 1.67 0.30 -3.67 -4.36 -1.23 -5.03 121.20 106.36 1tgz s ILE 539 Ca -0.19 -2.09 -0.29 0.00 -0.26 0.00 0.00 60.65 57.82 1tgz s ILE 539 Cb 0.07 -1.93 -0.10 0.00 1.25 0.00 0.00 42.46 41.75 1tgz s ILE 539 CO 0.74 -0.53 1.44 -2.16 0.24 0.00 0.00 174.94 174.67 1tgz s PRO 540 N -3.37 4.24 0.14 0.37 0.04 -1.26 -4.83 135.00 130.33 1tgz s PRO 540 Ca 0.19 2.37 0.05 0.00 0.04 0.00 0.00 61.00 63.65 1tgz s PRO 540 Cb -0.02 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 1tgz s PRO 540 CO 0.06 -0.41 0.10 -0.65 0.04 0.00 0.00 177.00 176.14 1tgz s GLN 541 N -1.13 2.83 0.40 4.56 -1.52 -1.26 -4.69 119.66 118.85 1tgz s GLN 541 Ca 0.56 -0.85 -0.23 0.00 -1.95 0.00 0.00 55.36 52.89 1tgz s GLN 541 Cb -0.43 -2.63 -0.10 0.00 -0.22 0.00 0.00 33.01 29.63 1tgz s GLN 541 CO 0.51 0.51 0.98 1.14 -0.25 0.00 0.00 175.29 178.18 1tgz s GLN 542 N -2.86 4.24 -0.06 2.91 -2.07 -0.26 -4.50 119.66 117.06 1tgz s GLN 542 Ca 0.30 1.30 0.16 0.00 -1.82 0.00 0.00 55.36 55.30 1tgz s GLN 542 Cb -0.11 -2.41 -0.25 0.00 -1.09 0.00 0.00 33.01 29.15 1tgz s GLN 542 CO 0.22 -0.03 0.29 1.28 -1.32 0.00 0.00 175.29 175.73 1tgz n LEU 543 N -0.25 0.00 -4.56 2.60 4.77 -1.26 -4.94 117.00 113.36 1tgz n LEU 543 Ca 0.06 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.76 1tgz n LEU 543 Cb 0.52 0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.62 1tgz n LEU 543 CO 0.41 0.11 -0.42 0.54 -1.33 0.00 0.00 177.39 176.70 1tgz s ASN 544 N -4.25 4.22 0.00 -1.43 2.20 -1.26 -5.03 114.94 109.39 1tgz s ASN 544 Ca -0.07 -0.56 0.00 0.00 -0.94 0.00 0.00 52.86 51.29 1tgz s ASN 544 Cb 0.09 -0.71 0.00 0.00 -2.00 0.00 0.00 41.25 38.63 1tgz s ASN 544 CO 0.70 0.12 0.55 0.61 -2.94 0.00 0.00 177.10 176.13 1tgz n GLY 545 N 0.19 0.40 0.00 0.45 0.00 -1.26 -3.97 105.19 101.00 1tgz n GLY 545 Ca -0.12 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.94 1tgz n GLY 545 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1tgz n SER 546 N -0.13 2.16 -0.48 1.61 7.64 -1.26 -4.77 113.62 118.39 1tgz n SER 546 Ca 0.00 -0.24 0.09 0.00 1.01 0.00 0.00 58.87 59.73 1tgz n SER 546 Cb 0.12 1.24 0.33 0.00 -1.01 0.00 0.00 64.21 64.89 1tgz n SER 546 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1tgz n ASP 547 N -1.57 1.43 -0.35 6.43 8.00 -1.25 -4.37 116.55 124.86 1tgz n ASP 547 Ca -0.00 -1.76 0.24 0.00 0.71 0.00 0.00 54.79 53.98 1tgz n ASP 547 Cb 0.18 -0.12 0.48 0.00 -0.02 0.00 0.00 41.12 41.65 1tgz n ASP 547 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1tgz h GLY 549 N 0.38 0.14 1.15 0.00 0.00 -1.83 0.52 103.07 103.42 1tgz h GLY 549 Ca 0.69 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.93 1tgz h GLY 549 CO -0.48 0.08 0.50 -0.33 0.00 0.00 0.00 176.54 176.31 1tgz h MET 550 N -0.07 1.13 -0.32 4.80 2.07 -0.94 0.35 114.93 121.96 1tgz h MET 550 Ca 0.03 -0.10 -0.04 0.00 -2.07 0.00 0.00 59.70 57.51 1tgz h MET 550 Cb 0.23 -0.24 -0.01 0.00 -1.87 0.00 0.00 31.60 29.71 1tgz h MET 550 CO -0.00 0.80 0.03 0.74 1.07 0.00 0.00 176.91 179.54 1tgz h PHE 551 N 1.15 0.58 -0.55 -0.22 -1.00 -0.55 0.26 116.94 116.62 1tgz h PHE 551 Ca 0.30 -0.09 0.04 0.00 2.81 0.00 0.00 57.97 61.03 1tgz h PHE 551 Cb -0.04 -0.16 -0.04 0.00 3.61 0.00 0.00 35.95 39.32 1tgz h PHE 551 CO 0.00 0.65 0.31 1.15 -1.61 0.00 0.00 178.31 178.81 1tgz h THR 552 N 0.35 1.00 -0.60 -1.55 2.02 -0.43 0.34 112.91 114.04 1tgz h THR 552 Ca 0.09 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 67.01 1tgz h THR 552 Cb 0.40 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 1tgz h THR 552 CO 0.01 0.11 0.13 0.00 0.37 0.00 0.00 175.52 176.14 1tgz h LYS 554 N 0.88 0.53 -0.26 0.00 1.79 0.07 -1.63 116.57 117.95 1tgz h LYS 554 Ca 0.19 -0.55 0.06 0.00 -2.18 0.00 0.00 60.65 58.17 1tgz h LYS 554 Cb 0.38 0.15 -0.06 0.00 -1.58 0.00 0.00 32.23 31.12 1tgz h LYS 554 CO 0.01 1.18 -0.16 1.88 -1.08 0.00 0.00 179.45 181.27 1tgz h TYR 555 N 0.31 -0.41 -0.10 -1.35 0.99 -0.30 -0.72 116.97 115.39 1tgz h TYR 555 Ca -0.09 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.71 1tgz h TYR 555 Cb 1.58 0.22 -0.04 0.00 1.00 0.00 0.00 36.73 39.50 1tgz h TYR 555 CO 0.07 -0.24 -0.12 0.00 -0.00 0.00 0.00 178.16 177.88 1tgz h ALA 556 N 1.02 -0.05 -0.48 3.88 0.00 -1.34 0.12 119.26 122.43 1tgz h ALA 556 Ca 0.14 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.19 1tgz h ALA 556 Cb 0.36 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 18.29 1tgz h ALA 556 CO -0.34 -0.58 -0.17 0.22 0.00 0.00 0.00 179.25 178.38 1tgz h ASP 557 N -0.15 -0.60 0.02 0.00 3.58 -0.53 -0.13 116.42 118.60 1tgz h ASP 557 Ca 0.08 0.16 -0.00 0.00 0.42 0.00 0.00 57.03 57.68 1tgz h ASP 557 Cb 0.26 0.35 0.00 0.00 1.72 0.00 0.00 39.33 41.66 1tgz h ASP 557 CO -0.19 -0.20 -0.01 1.88 -2.88 0.00 0.00 179.24 177.84 1tgz h TYR 558 N -0.06 -0.02 -0.81 0.28 -1.99 -0.73 -3.24 116.97 110.40 1tgz h TYR 558 Ca 0.23 -0.00 0.05 0.00 2.00 0.00 0.00 58.73 61.01 1tgz h TYR 558 Cb 0.41 0.01 -0.05 0.00 2.00 0.00 0.00 36.73 39.10 1tgz h TYR 558 CO -0.45 0.38 0.53 0.82 -0.00 0.00 0.00 178.16 179.45 1tgz h ILE 559 N -0.42 1.08 0.00 -2.88 2.04 -0.47 -0.87 117.51 115.98 1tgz h ILE 559 Ca -0.00 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1tgz h ILE 559 Cb 0.41 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1tgz h ILE 559 CO 0.00 0.17 0.00 -1.54 0.00 0.00 0.00 178.15 176.78 1tgz n SER 560 N -4.47 0.03 -0.52 1.72 3.41 -0.09 -1.77 113.62 111.94 1tgz n SER 560 Ca 0.11 0.51 0.05 0.00 -0.26 0.00 0.00 58.87 59.28 1tgz n SER 560 Cb 0.17 -0.52 0.12 0.00 -0.26 0.00 0.00 64.21 63.73 1tgz n SER 560 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1tgz n ARG 561 N -1.54 2.72 -2.33 4.33 1.74 -0.38 -4.33 116.66 116.86 1tgz n ARG 561 Ca 0.03 -1.90 -0.19 0.00 -0.77 0.00 0.00 57.85 55.02 1tgz n ARG 561 Cb 0.15 -1.22 -0.02 0.00 -1.02 0.00 0.00 32.46 30.35 1tgz n ARG 561 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1tgz n ASP 562 N 0.35 -5.40 -4.75 0.55 8.00 -0.73 -4.95 116.55 109.63 1tgz n ASP 562 Ca 0.09 0.07 -0.36 0.00 0.71 0.00 0.00 54.79 55.31 1tgz n ASP 562 Cb 0.38 -4.54 -0.07 0.00 -0.02 0.00 0.00 41.12 36.87 1tgz n ASP 562 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1tgz s LYS 563 N -4.92 4.11 0.03 -1.24 2.20 -0.88 -5.04 119.74 114.00 1tgz s LYS 563 Ca 0.00 -0.04 -0.30 0.00 -0.36 0.00 0.00 55.97 55.27 1tgz s LYS 563 Cb 0.00 -3.38 -0.06 0.00 -1.51 0.00 0.00 37.83 32.88 1tgz s LYS 563 CO 0.00 0.35 1.36 -1.25 -0.36 0.00 0.00 175.35 175.46 1tgz s PRO 564 N 0.16 4.31 -0.20 4.03 0.04 -1.26 -4.25 135.00 137.83 1tgz s PRO 564 Ca 0.13 1.95 -0.28 0.00 0.04 0.00 0.00 61.00 62.84 1tgz s PRO 564 Cb -0.12 -3.47 -0.05 0.00 0.04 0.00 0.00 34.50 30.89 1tgz s PRO 564 CO 0.02 -0.50 2.08 0.42 0.04 0.00 0.00 177.00 179.07 1tgz s ILE 565 N 1.95 3.12 -0.03 0.56 1.01 -1.26 -4.82 121.20 121.73 1tgz s ILE 565 Ca 0.63 0.13 0.04 0.00 0.00 0.00 0.00 60.65 61.45 1tgz s ILE 565 Cb -0.32 -3.14 0.06 0.00 0.01 0.00 0.00 42.46 39.06 1tgz s ILE 565 CO 0.27 -0.08 0.91 0.35 0.00 0.00 0.00 174.94 176.39 1tgz n THR 566 N 7.29 0.81 -3.20 2.92 -2.24 -1.26 -4.93 114.28 113.67 1tgz n THR 566 Ca 0.27 -0.89 -0.24 0.00 -2.27 0.00 0.00 64.05 60.92 1tgz n THR 566 Cb 0.45 0.48 -0.00 0.00 -2.10 0.00 0.00 70.33 69.15 1tgz n THR 566 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1tgz s PHE 567 N -1.01 3.41 0.34 4.78 -0.12 -1.26 -5.11 117.98 119.02 1tgz s PHE 567 Ca 0.06 0.34 0.04 0.00 -0.05 0.00 0.00 56.93 57.32 1tgz s PHE 567 Cb 0.06 -2.06 -0.06 0.00 -0.63 0.00 0.00 43.02 40.33 1tgz s PHE 567 CO 0.01 -0.06 0.07 0.95 -0.05 0.00 0.00 175.22 176.13 1tgz s THR 568 N -2.42 1.12 0.40 -4.49 -4.23 -1.26 -4.66 115.64 100.10 1tgz s THR 568 Ca 0.43 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.13 1tgz s THR 568 Cb -0.10 -2.72 0.40 0.00 1.34 0.00 0.00 72.50 71.42 1tgz s THR 568 CO 0.37 0.00 1.76 -0.61 -0.54 0.00 0.00 174.62 175.60 1tgz h GLN 569 N 2.03 0.36 -0.14 3.99 5.75 -1.95 -0.34 115.11 124.82 1tgz h GLN 569 Ca -0.40 -0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.12 1tgz h GLN 569 Cb 1.25 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.71 1tgz h GLN 569 CO 0.68 0.24 0.15 0.45 -2.65 0.00 0.00 178.83 177.70 1tgz h HIS 570 N 0.37 0.00 0.00 3.99 3.86 -1.95 -2.00 115.15 119.42 1tgz h HIS 570 Ca 0.61 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.71 1tgz h HIS 570 Cb 1.58 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.03 1tgz h HIS 570 CO -0.00 0.00 -0.95 1.96 0.86 0.00 0.00 177.93 179.80 1tgz h GLN 571 N 0.00 0.00 -1.02 2.45 7.50 -1.46 -3.38 115.11 119.20 1tgz h GLN 571 Ca 0.07 0.00 0.35 0.00 0.50 0.00 0.00 58.65 59.57 1tgz h GLN 571 Cb 0.37 0.00 -0.15 0.00 0.05 0.00 0.00 27.48 27.74 1tgz h GLN 571 CO -0.00 0.31 0.58 0.52 -1.50 0.00 0.00 178.83 178.75 1tgz h MET 572 N 0.00 0.23 -0.67 1.46 2.86 -1.43 -0.35 114.93 117.03 1tgz h MET 572 Ca -0.07 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1tgz h MET 572 Cb 1.40 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.98 1tgz h MET 572 CO 0.04 0.15 0.42 -1.35 1.06 0.00 0.00 176.91 177.24 1tgz h PRO 573 N 0.24 0.90 -0.18 -0.22 0.11 -1.76 0.69 132.00 131.78 1tgz h PRO 573 Ca 0.76 -0.07 -0.17 0.00 0.11 0.00 0.00 66.00 66.63 1tgz h PRO 573 Cb 1.86 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 32.78 1tgz h PRO 573 CO -0.63 0.62 -0.55 1.25 -0.21 0.00 0.00 178.00 178.48 1tgz h LEU 574 N 0.91 0.79 -0.66 2.35 6.46 -1.41 -3.01 115.31 120.74 1tgz h LEU 574 Ca 0.24 -0.59 0.12 0.00 -0.12 0.00 0.00 57.88 57.53 1tgz h LEU 574 Cb -0.06 -0.23 -0.09 0.00 -0.73 0.00 0.00 40.66 39.55 1tgz h LEU 574 CO -0.05 1.25 0.21 -0.26 -0.62 0.00 0.00 178.44 178.97 1tgz h PHE 575 N 0.38 0.36 -0.32 1.25 0.04 -0.80 0.17 116.94 118.02 1tgz h PHE 575 Ca -0.02 0.03 0.07 0.00 2.80 0.00 0.00 57.97 60.86 1tgz h PHE 575 Cb 1.18 -0.06 -0.07 0.00 2.20 0.00 0.00 35.95 39.19 1tgz h PHE 575 CO 0.09 0.03 -0.17 0.00 -0.60 0.00 0.00 178.31 177.66 1tgz h ARG 576 N 0.36 -0.12 -0.39 1.51 3.08 -0.74 0.27 114.38 118.35 1tgz h ARG 576 Ca 0.35 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.40 1tgz h ARG 576 Cb 0.51 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1tgz h ARG 576 CO -0.38 -0.08 0.21 0.87 -1.07 0.00 0.00 179.97 179.52 1tgz h LYS 577 N -0.12 0.55 -0.92 0.04 1.79 -1.02 -2.53 116.57 114.35 1tgz h LYS 577 Ca 0.17 -0.07 0.05 0.00 -2.18 0.00 0.00 60.65 58.61 1tgz h LYS 577 Cb 0.38 -0.11 -0.06 0.00 -1.58 0.00 0.00 32.23 30.87 1tgz h LYS 577 CO -0.40 0.45 0.61 0.87 -1.08 0.00 0.00 179.45 179.90 1tgz h LYS 578 N 0.50 1.10 0.11 3.15 1.57 0.18 -2.71 116.57 120.46 1tgz h LYS 578 Ca 0.14 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1tgz h LYS 578 Cb 0.07 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1tgz h LYS 578 CO -0.02 0.72 -0.10 1.98 -0.57 0.00 0.00 179.45 181.47 1tgz h MET 579 N 1.13 -0.21 -0.96 3.15 4.05 -0.06 0.53 114.93 122.55 1tgz h MET 579 Ca 0.38 0.01 0.14 0.00 -0.28 0.00 0.00 59.70 59.95 1tgz h MET 579 Cb 0.07 0.05 -0.09 0.00 -0.80 0.00 0.00 31.60 30.83 1tgz h MET 579 CO -0.12 -0.14 0.58 -0.24 0.23 0.00 0.00 176.91 177.21 1tgz h VAL 580 N -0.22 0.84 0.28 -5.77 3.04 -1.29 0.39 116.25 113.51 1tgz h VAL 580 Ca 0.00 -0.29 -0.01 0.00 -1.01 0.00 0.00 66.70 65.39 1tgz h VAL 580 Cb 0.21 -0.09 0.00 0.00 -2.01 0.00 0.00 31.29 29.40 1tgz h VAL 580 CO -0.02 0.16 -0.13 -0.25 -1.01 0.00 0.00 177.57 176.31 1tgz h TRP 581 N 0.86 -0.35 -0.96 3.17 7.01 -1.23 -1.00 115.95 123.44 1tgz h TRP 581 Ca 0.50 -0.01 0.23 0.00 2.11 0.00 0.00 58.89 61.73 1tgz h TRP 581 Cb 0.60 0.12 -0.07 0.00 -2.10 0.00 0.00 29.16 27.70 1tgz h TRP 581 CO -0.03 -0.14 0.64 0.93 -2.79 0.00 0.00 178.44 177.06 1tgz h GLU 582 N -0.49 0.34 0.03 2.65 5.08 0.85 -1.26 114.58 121.78 1tgz h GLU 582 Ca -0.04 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1tgz h GLU 582 Cb 0.37 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1tgz h GLU 582 CO 0.06 0.23 -0.01 0.82 -1.00 0.00 0.00 179.01 179.11 1tgz h ILE 583 N 0.35 1.44 -0.60 3.13 2.04 0.13 -0.03 117.51 123.99 1tgz h ILE 583 Ca 0.51 -1.70 0.09 0.00 1.00 0.00 0.00 64.86 64.76 1tgz h ILE 583 Cb 1.37 2.54 -0.04 0.00 -0.74 0.00 0.00 36.82 39.96 1tgz h ILE 583 CO -0.19 0.42 0.40 -0.07 0.00 0.00 0.00 178.15 178.70 1tgz h LEU 584 N -0.81 0.39 -3.03 1.44 3.38 -0.47 -0.84 115.31 115.37 1tgz h LEU 584 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1tgz h LEU 584 Cb 0.72 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1tgz h LEU 584 CO 0.01 0.24 0.00 1.41 0.09 0.00 0.00 178.44 180.19 1tgz n HIS 585 N -4.47 1.11 -3.63 1.13 8.25 -0.54 -4.90 115.22 112.17 1tgz n HIS 585 Ca 0.09 -0.60 -0.20 0.00 -0.26 0.00 0.00 57.72 56.75 1tgz n HIS 585 Cb 0.34 -0.16 -0.06 0.00 1.12 0.00 0.00 29.99 31.23 1tgz n HIS 585 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1tgz n GLN 586 N 0.91 -0.95 -3.66 -0.41 6.02 -0.25 -4.86 117.38 114.18 1tgz n GLN 586 Ca 0.22 0.06 -0.09 0.00 -0.01 0.00 0.00 57.00 57.18 1tgz n GLN 586 Cb 0.74 -2.33 -0.10 0.00 1.02 0.00 0.00 30.24 29.57 1tgz n GLN 586 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1tgz s GLN 587 N -5.69 0.30 0.44 -1.09 0.74 -0.19 -5.02 119.66 109.15 1tgz s GLN 587 Ca 0.05 0.98 -0.21 0.00 0.05 0.00 0.00 55.36 56.23 1tgz s GLN 587 Cb -0.03 0.27 -0.09 0.00 1.10 0.00 0.00 33.01 34.25 1tgz s GLN 587 CO 0.63 -0.25 1.00 -0.51 -0.55 0.00 0.00 175.29 175.62 1tgz s LEU 588 N 2.54 3.95 0.00 3.68 1.43 -1.26 -4.25 118.68 124.77 1tgz s LEU 588 Ca -0.02 1.86 0.24 0.00 -1.03 0.00 0.00 54.13 55.19 1tgz s LEU 588 Cb -0.12 -4.47 0.23 0.00 0.03 0.00 0.00 46.19 41.87 1tgz s LEU 588 CO -0.12 -0.56 1.28 0.18 0.23 0.00 0.00 176.35 177.37