#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qq8 n PHE 354 N 0.00 -1.53 -2.11 -0.72 3.72 -1.26 -4.85 117.46 110.71 2qq8 n PHE 354 Ca 0.00 0.74 -0.13 0.00 -0.05 0.00 0.00 57.45 58.01 2qq8 n PHE 354 Cb 0.00 -2.51 0.06 0.00 -0.94 0.00 0.00 39.48 36.09 2qq8 n PHE 354 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2qq8 n GLN 355 N -4.23 2.75 -0.68 -1.08 1.13 -1.26 -4.93 117.38 109.08 2qq8 n GLN 355 Ca 0.09 -3.79 0.00 0.00 -1.94 0.00 0.00 57.00 51.36 2qq8 n GLN 355 Cb 0.47 -1.93 0.00 0.00 0.11 0.00 0.00 30.24 28.89 2qq8 n GLN 355 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qq8 n GLY 356 N -0.70 0.58 2.60 1.08 0.00 -1.26 -5.01 105.19 102.48 2qq8 n GLY 356 Ca 0.31 -0.74 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 2qq8 n GLY 356 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qq8 n ASN 357 N 1.34 4.00 -0.20 1.61 0.23 -1.26 -4.98 115.26 116.00 2qq8 n ASN 357 Ca 0.00 -3.53 -0.03 0.00 -0.53 0.00 0.00 54.58 50.49 2qq8 n ASN 357 Cb 0.00 -0.63 0.07 0.00 -2.08 0.00 0.00 39.78 37.14 2qq8 n ASN 357 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2qq8 h ALA 358 N 3.74 0.76 -0.02 -2.53 0.00 -1.98 -0.98 119.26 118.25 2qq8 h ALA 358 Ca 0.17 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2qq8 h ALA 358 Cb 0.61 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2qq8 h ALA 358 CO 0.83 -0.03 0.01 0.28 0.00 0.00 0.00 179.25 180.34 2qq8 h VAL 359 N 0.58 1.04 -0.81 0.00 2.07 -1.99 0.92 116.25 118.07 2qq8 h VAL 359 Ca 0.26 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.65 2qq8 h VAL 359 Cb 0.16 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 2qq8 h VAL 359 CO -0.17 0.04 0.50 -0.07 0.02 0.00 0.00 177.57 177.88 2qq8 h LEU 360 N -0.01 0.97 -0.19 2.57 3.38 -1.93 0.16 115.31 120.26 2qq8 h LEU 360 Ca 0.01 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2qq8 h LEU 360 Cb 0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2qq8 h LEU 360 CO -0.00 0.75 0.04 0.74 0.09 0.00 0.00 178.44 180.05 2qq8 h THR 361 N 1.11 1.22 -0.01 0.22 2.02 -0.80 0.15 112.91 116.82 2qq8 h THR 361 Ca 0.29 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 2qq8 h THR 361 Cb -0.05 1.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2qq8 h THR 361 CO -0.06 0.21 0.01 -0.50 0.37 0.00 0.00 175.52 175.55 2qq8 h TRP 362 N 0.11 0.02 -0.20 3.16 4.06 -0.53 0.06 115.95 122.62 2qq8 h TRP 362 Ca 0.06 -0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.92 2qq8 h TRP 362 Cb 0.29 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.44 2qq8 h TRP 362 CO 0.01 0.11 -0.22 -0.91 -3.56 0.00 0.00 178.44 173.88 2qq8 h ASN 363 N -0.08 0.54 0.30 -3.49 2.35 -0.66 0.82 115.58 115.37 2qq8 h ASN 363 Ca 0.00 -0.48 -0.33 0.00 -0.55 0.00 0.00 56.30 54.94 2qq8 h ASN 363 Cb 0.10 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.28 2qq8 h ASN 363 CO -0.00 0.92 -1.91 0.59 -1.65 0.00 0.00 177.43 175.38 2qq8 n ASN 364 N -4.42 1.26 -0.10 5.81 3.02 0.53 -4.31 115.26 117.04 2qq8 n ASN 364 Ca -0.05 0.28 -0.19 0.00 -0.03 0.00 0.00 54.58 54.59 2qq8 n ASN 364 Cb 0.42 -0.24 -0.08 0.00 -0.61 0.00 0.00 39.78 39.26 2qq8 n ASN 364 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2qq8 n GLU 365 N -3.17 0.46 -0.07 3.52 4.07 -0.17 -4.72 120.64 120.55 2qq8 n GLU 365 Ca -0.25 0.16 -0.09 0.00 -0.06 0.00 0.00 57.16 56.92 2qq8 n GLU 365 Cb 1.06 -1.29 -0.07 0.00 -0.06 0.00 0.00 31.44 31.08 2qq8 n GLU 365 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 2qq8 h ILE 366 N -0.46 0.79 -0.56 6.31 2.04 -0.89 -3.35 117.51 121.39 2qq8 h ILE 366 Ca -0.49 -1.67 -0.11 0.00 1.00 0.00 0.00 64.86 63.59 2qq8 h ILE 366 Cb 1.54 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 39.18 2qq8 h ILE 366 CO -0.22 0.27 -0.07 -0.07 0.00 0.00 0.00 178.15 178.05 2qq8 h LEU 367 N -1.00 1.02 -2.00 1.44 3.38 -1.05 -0.07 115.31 117.04 2qq8 h LEU 367 Ca -0.06 -0.32 0.17 0.00 0.09 0.00 0.00 57.88 57.76 2qq8 h LEU 367 Cb 0.64 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2qq8 h LEU 367 CO -0.03 1.11 0.47 1.55 0.09 0.00 0.00 178.44 181.63 2qq8 h PRO 368 N 0.92 0.00 -0.69 1.13 0.13 -1.78 -2.28 132.00 129.43 2qq8 h PRO 368 Ca 0.15 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.86 2qq8 h PRO 368 Cb 0.63 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.52 2qq8 h PRO 368 CO 0.04 0.00 0.16 0.09 -0.23 0.00 0.00 178.00 178.07 2qq8 n ASN 369 N -4.11 4.21 -0.21 1.44 3.02 -0.08 -4.83 115.26 114.70 2qq8 n ASN 369 Ca 0.11 -3.75 0.01 0.00 -0.03 0.00 0.00 54.58 50.92 2qq8 n ASN 369 Cb 0.70 -0.71 0.10 0.00 -0.61 0.00 0.00 39.78 39.26 2qq8 n ASN 369 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 2qq8 h TRP 370 N 1.39 -0.09 -0.76 3.10 4.06 -0.90 -3.32 115.95 119.42 2qq8 h TRP 370 Ca 0.42 0.05 -0.72 0.00 2.06 0.00 0.00 58.89 60.70 2qq8 h TRP 370 Cb 1.73 0.14 -0.07 0.00 -1.00 0.00 0.00 29.16 29.96 2qq8 h TRP 370 CO 1.22 -0.19 2.90 0.39 -3.56 0.00 0.00 178.44 179.20 2qq8 n GLU 371 N -5.31 4.26 0.00 0.49 4.71 -1.26 -4.79 120.64 118.74 2qq8 n GLU 371 Ca 0.09 -3.03 0.00 0.00 -0.01 0.00 0.00 57.16 54.21 2qq8 n GLU 371 Cb 0.36 -2.70 0.00 0.00 -1.01 0.00 0.00 31.44 28.09 2qq8 n GLU 371 CO 0.00 0.00 0.00 0.91 0.09 0.00 0.00 177.13 178.13 2qq8 n TRP 374 N 2.45 0.00 -0.39 -0.32 7.02 -1.25 -5.04 117.44 119.91 2qq8 n TRP 374 Ca 0.67 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 57.18 2qq8 n TRP 374 Cb 0.25 0.00 0.27 0.00 -2.42 0.00 0.00 31.31 29.41 2qq8 n TRP 374 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2qq8 n SER 376 N 0.32 2.20 -0.18 0.00 3.41 -1.26 -4.91 113.62 113.19 2qq8 n SER 376 Ca 0.23 1.05 -0.07 0.00 -0.26 0.00 0.00 58.87 59.82 2qq8 n SER 376 Cb 0.99 -1.47 0.08 0.00 -0.26 0.00 0.00 64.21 63.54 2qq8 n SER 376 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2qq8 h ARG 377 N 1.78 0.98 -0.52 4.33 -0.00 -1.99 -1.14 114.38 117.82 2qq8 h ARG 377 Ca -0.48 -0.28 -0.09 0.00 -0.00 0.00 0.00 59.98 59.13 2qq8 h ARG 377 Cb 1.31 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.97 31.16 2qq8 h ARG 377 CO 0.58 0.95 -0.03 1.57 -0.00 0.00 0.00 179.97 183.05 2qq8 h LYS 378 N 0.91 0.94 -0.66 0.08 2.10 -1.98 -2.47 116.57 115.49 2qq8 h LYS 378 Ca 0.17 -0.31 -0.05 0.00 -2.00 0.00 0.00 60.65 58.46 2qq8 h LYS 378 Cb 0.50 -0.08 -0.03 0.00 -0.90 0.00 0.00 32.23 31.72 2qq8 h LYS 378 CO 0.02 0.97 0.23 0.28 -2.00 0.00 0.00 179.45 178.95 2qq8 h VAL 379 N 0.80 1.24 -0.19 0.07 2.07 -1.85 -2.96 116.25 115.43 2qq8 h VAL 379 Ca 0.14 -0.79 -0.12 0.00 0.82 0.00 0.00 66.70 66.76 2qq8 h VAL 379 Cb 0.56 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2qq8 h VAL 379 CO 0.03 0.31 -0.37 0.03 0.02 0.00 0.00 177.57 177.59 2qq8 h ARG 380 N 0.96 0.43 -0.51 1.57 3.08 -0.85 0.01 114.38 119.07 2qq8 h ARG 380 Ca 0.22 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 2qq8 h ARG 380 Cb 0.24 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2qq8 h ARG 380 CO -0.01 0.74 -0.09 -0.44 -1.07 0.00 0.00 179.97 179.10 2qq8 h ASP 381 N 0.36 0.93 0.31 7.04 3.32 -1.42 -2.53 116.42 124.43 2qq8 h ASP 381 Ca 0.04 -0.29 -0.14 0.00 0.02 0.00 0.00 57.03 56.65 2qq8 h ASP 381 Cb 0.82 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 2qq8 h ASP 381 CO 0.07 1.04 -0.58 0.25 -1.72 0.00 0.00 179.24 178.30 2qq8 h LEU 382 N 0.84 0.31 -0.82 1.55 5.85 -1.22 -2.99 115.31 118.83 2qq8 h LEU 382 Ca 0.14 -0.17 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 2qq8 h LEU 382 Cb 0.63 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2qq8 h LEU 382 CO 0.04 0.82 -0.24 -0.25 -0.34 0.00 0.00 178.44 178.47 2qq8 h TRP 383 N 0.21 0.69 -0.61 1.25 2.91 -0.87 -2.37 115.95 117.16 2qq8 h TRP 383 Ca -0.00 -0.15 0.13 0.00 1.13 0.00 0.00 58.89 60.00 2qq8 h TRP 383 Cb 1.08 -0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 29.53 2qq8 h TRP 383 CO 0.02 0.80 0.42 2.35 -1.03 0.00 0.00 178.44 181.00 2qq8 h TRP 384 N 0.54 0.28 0.00 2.65 2.91 -1.30 -2.17 115.95 118.85 2qq8 h TRP 384 Ca 0.08 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.10 2qq8 h TRP 384 Cb 0.70 -0.09 0.00 0.00 -0.51 0.00 0.00 29.16 29.26 2qq8 h TRP 384 CO 0.03 0.12 0.00 1.04 -1.03 0.00 0.00 178.44 178.60 2qq8 n GLN 385 N -4.44 0.09 0.00 2.65 1.13 -0.89 -4.99 117.38 110.92 2qq8 n GLN 385 Ca 0.11 0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 2qq8 n GLN 385 Cb 0.50 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.35 2qq8 n GLN 385 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qq8 n GLY 386 N 1.06 2.16 3.80 1.08 0.00 -0.82 -5.03 105.19 107.45 2qq8 n GLY 386 Ca 0.08 -1.66 -0.38 0.00 0.00 0.00 0.00 46.02 44.05 2qq8 n GLY 386 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qq8 s ILE 387 N -1.53 4.99 0.33 -0.61 1.01 -1.26 -4.84 121.20 119.29 2qq8 s ILE 387 Ca 0.00 0.97 -0.29 0.00 0.00 0.00 0.00 60.65 61.33 2qq8 s ILE 387 Cb 0.00 -3.79 -0.12 0.00 0.01 0.00 0.00 42.46 38.56 2qq8 s ILE 387 CO 0.00 0.51 1.37 -2.65 0.00 0.00 0.00 174.94 174.17 2qq8 n PRO 388 N 2.27 2.26 -0.24 2.79 -0.02 -1.26 -4.73 135.00 136.07 2qq8 n PRO 388 Ca -0.11 0.79 0.18 0.00 -2.02 0.00 0.00 63.50 62.34 2qq8 n PRO 388 Cb 0.52 -2.43 0.50 0.00 -0.02 0.00 0.00 33.50 32.06 2qq8 n PRO 388 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2qq8 h PRO 389 N 3.09 0.43 0.00 0.52 0.11 -2.00 0.23 132.00 134.37 2qq8 h PRO 389 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2qq8 h PRO 389 Cb 1.27 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2qq8 h PRO 389 CO 0.66 0.28 0.00 0.66 -0.21 0.00 0.00 178.00 179.40 2qq8 h SER 390 N 0.44 0.00 0.12 -2.05 4.64 -1.97 -3.04 113.55 111.68 2qq8 h SER 390 Ca 0.46 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.67 2qq8 h SER 390 Cb 1.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 2qq8 h SER 390 CO -0.18 0.00 -2.00 0.52 -0.87 0.00 0.00 176.83 174.30 2qq8 n VAL 391 N -3.00 0.52 -0.17 0.95 0.31 0.72 -4.71 118.33 112.96 2qq8 n VAL 391 Ca 0.00 -0.62 -0.03 0.00 -0.01 0.00 0.00 64.34 63.69 2qq8 n VAL 391 Cb 0.28 -0.21 0.07 0.00 -0.91 0.00 0.00 33.84 33.06 2qq8 n VAL 391 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2qq8 h ARG 392 N 0.00 0.37 -0.53 5.55 3.08 -1.20 -2.57 114.38 119.08 2qq8 h ARG 392 Ca -0.17 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 59.93 2qq8 h ARG 392 Cb 1.39 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 31.30 2qq8 h ARG 392 CO 0.01 0.25 0.20 0.78 -1.07 0.00 0.00 179.97 180.13 2qq8 h GLY 393 N 0.38 0.71 0.87 0.04 0.00 -1.75 0.40 103.07 103.72 2qq8 h GLY 393 Ca 0.25 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 2qq8 h GLY 393 CO -0.24 0.01 0.04 1.70 0.00 0.00 0.00 176.54 178.05 2qq8 h LYS 394 N 0.38 0.43 -0.28 4.80 3.11 -1.75 -0.53 116.57 122.73 2qq8 h LYS 394 Ca 0.25 -0.12 -0.05 0.00 -2.81 0.00 0.00 60.65 57.92 2qq8 h LYS 394 Cb 0.27 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.44 2qq8 h LYS 394 CO -0.25 0.56 -0.03 0.28 -2.81 0.00 0.00 179.45 177.19 2qq8 h VAL 395 N 0.24 1.27 -0.54 2.00 2.07 -1.08 -2.59 116.25 117.61 2qq8 h VAL 395 Ca 0.08 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 2qq8 h VAL 395 Cb 0.34 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2qq8 h VAL 395 CO 0.01 0.32 0.23 -0.50 0.02 0.00 0.00 177.57 177.65 2qq8 h TRP 396 N 0.28 0.80 -0.68 1.57 6.55 -0.13 -0.65 115.95 123.70 2qq8 h TRP 396 Ca 0.07 -0.05 -0.00 0.00 0.95 0.00 0.00 58.89 59.86 2qq8 h TRP 396 Cb 0.49 -0.24 -0.03 0.00 -0.86 0.00 0.00 29.16 28.51 2qq8 h TRP 396 CO 0.04 0.65 0.42 0.77 -1.05 0.00 0.00 178.44 179.27 2qq8 h SER 397 N 0.73 0.80 -0.30 -3.49 0.02 -1.08 0.19 113.55 110.42 2qq8 h SER 397 Ca 0.18 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 2qq8 h SER 397 Cb 0.17 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 2qq8 h SER 397 CO -0.02 0.62 0.11 -0.07 -1.14 0.00 0.00 176.83 176.33 2qq8 h LEU 398 N 0.92 0.43 -0.31 5.07 3.38 -1.29 -0.61 115.31 122.90 2qq8 h LEU 398 Ca 0.24 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 2qq8 h LEU 398 Cb -0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2qq8 h LEU 398 CO -0.05 0.49 -0.13 0.00 0.09 0.00 0.00 178.44 178.85 2qq8 h ALA 399 N 0.95 0.44 -0.32 1.53 0.00 -0.72 -3.21 119.26 117.92 2qq8 h ALA 399 Ca 0.10 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 2qq8 h ALA 399 Cb 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2qq8 h ALA 399 CO -0.01 0.32 -0.31 0.82 0.00 0.00 0.00 179.25 180.07 2qq8 h ILE 400 N 0.40 1.29 -0.15 0.00 2.04 -0.68 -3.49 117.51 116.92 2qq8 h ILE 400 Ca 0.07 -1.48 0.00 0.00 1.00 0.00 0.00 64.86 64.45 2qq8 h ILE 400 Cb 0.65 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 2qq8 h ILE 400 CO 0.04 0.48 0.00 0.61 0.00 0.00 0.00 178.15 179.28 2qq8 n GLY 401 N 0.14 -1.97 2.38 5.37 0.00 -0.24 -4.75 105.19 106.13 2qq8 n GLY 401 Ca -0.03 -1.39 -0.14 0.00 0.00 0.00 0.00 46.02 44.46 2qq8 n GLY 401 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qq8 n ASN 402 N 0.62 0.19 0.28 1.61 5.15 -1.26 -4.75 115.26 117.09 2qq8 n ASN 402 Ca 0.00 -3.08 0.16 0.00 -0.60 0.00 0.00 54.58 51.07 2qq8 n ASN 402 Cb 0.00 -0.04 0.78 0.00 -0.53 0.00 0.00 39.78 39.98 2qq8 n ASN 402 CO 0.00 0.00 0.00 1.05 1.40 0.00 0.00 177.26 179.71 2qq8 h GLU 403 N 2.96 0.00 0.00 1.20 4.11 -1.95 -0.73 114.58 120.16 2qq8 h GLU 403 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 2qq8 h GLU 403 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2qq8 h GLU 403 CO 0.40 0.06 0.00 1.28 0.07 0.00 0.00 179.01 180.82 2qq8 n LEU 404 N -3.27 0.19 -3.85 3.06 4.77 -1.26 -4.93 117.00 111.71 2qq8 n LEU 404 Ca -0.01 0.53 -0.29 0.00 -0.03 0.00 0.00 56.01 56.21 2qq8 n LEU 404 Cb 0.26 -0.48 0.04 0.00 -2.33 0.00 0.00 43.42 40.90 2qq8 n LEU 404 CO 0.27 -0.16 0.13 0.59 -1.33 0.00 0.00 177.39 176.90 2qq8 n ASN 405 N -1.69 -5.06 -4.77 -1.43 5.03 -0.28 -4.95 115.26 102.12 2qq8 n ASN 405 Ca 0.05 -0.73 -0.40 0.00 0.87 0.00 0.00 54.58 54.37 2qq8 n ASN 405 Cb 0.29 -4.12 -0.03 0.00 -1.02 0.00 0.00 39.78 34.91 2qq8 n ASN 405 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2qq8 s ILE 406 N -3.31 3.06 0.25 2.41 1.01 -1.26 -5.05 121.20 118.31 2qq8 s ILE 406 Ca 0.64 1.01 0.10 0.00 0.00 0.00 0.00 60.65 62.40 2qq8 s ILE 406 Cb -0.31 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 2qq8 s ILE 406 CO 0.81 0.20 -0.10 0.42 0.00 0.00 0.00 174.94 176.26 2qq8 s THR 407 N -1.23 3.00 0.35 2.92 -4.23 -1.26 -5.00 115.64 110.18 2qq8 s THR 407 Ca 0.50 -2.06 0.05 0.00 -1.18 0.00 0.00 61.69 59.00 2qq8 s THR 407 Cb -0.35 -2.57 0.29 0.00 1.34 0.00 0.00 72.50 71.21 2qq8 s THR 407 CO 0.45 -0.33 1.96 0.45 -0.54 0.00 0.00 174.62 176.61 2qq8 h HIS 408 N 2.26 0.81 -0.60 3.99 3.86 -1.97 -2.36 115.15 121.15 2qq8 h HIS 408 Ca -0.43 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 58.78 2qq8 h HIS 408 Cb 1.24 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 29.42 2qq8 h HIS 408 CO 0.72 0.44 0.29 1.49 0.86 0.00 0.00 177.93 181.73 2qq8 h GLU 409 N 0.81 0.86 -0.42 2.45 4.81 -1.99 0.13 114.58 121.23 2qq8 h GLU 409 Ca 0.31 -0.13 0.05 0.00 -0.13 0.00 0.00 59.36 59.47 2qq8 h GLU 409 Cb 0.21 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 2qq8 h GLU 409 CO -0.10 0.70 0.15 1.25 -0.73 0.00 0.00 179.01 180.27 2qq8 h LEU 410 N 0.82 0.16 -0.34 1.64 5.85 -1.85 -1.56 115.31 120.02 2qq8 h LEU 410 Ca 0.21 0.05 0.07 0.00 0.84 0.00 0.00 57.88 59.04 2qq8 h LEU 410 Cb 0.12 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 2qq8 h LEU 410 CO -0.03 0.13 -0.07 0.15 -0.34 0.00 0.00 178.44 178.28 2qq8 h PHE 411 N 0.32 -0.15 -0.33 1.25 3.57 -0.87 -0.24 116.94 120.49 2qq8 h PHE 411 Ca 0.20 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.75 2qq8 h PHE 411 Cb 0.18 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 2qq8 h PHE 411 CO -0.15 -0.13 0.15 -0.44 -2.23 0.00 0.00 178.31 175.51 2qq8 h ASP 412 N 0.02 0.21 -0.13 0.41 3.32 -0.64 0.70 116.42 120.30 2qq8 h ASP 412 Ca 0.16 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 2qq8 h ASP 412 Cb 0.24 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2qq8 h ASP 412 CO -0.33 0.16 0.06 0.40 -1.72 0.00 0.00 179.24 177.80 2qq8 h ILE 413 N 0.32 1.14 -0.69 0.35 2.04 -1.00 -0.35 117.51 119.31 2qq8 h ILE 413 Ca 0.14 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 2qq8 h ILE 413 Cb 0.07 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 2qq8 h ILE 413 CO -0.11 0.12 0.33 0.00 0.00 0.00 0.00 178.15 178.49 2qq8 h LEU 415 N 0.97 0.39 -0.63 0.00 5.85 -0.73 -1.20 115.31 119.95 2qq8 h LEU 415 Ca 0.24 -0.04 0.11 0.00 0.84 0.00 0.00 57.88 59.03 2qq8 h LEU 415 Cb 0.13 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 40.98 2qq8 h LEU 415 CO -0.03 0.32 0.18 0.00 -0.34 0.00 0.00 178.44 178.57 2qq8 h ALA 416 N 1.09 0.79 -0.78 1.25 0.00 -0.71 0.12 119.26 121.03 2qq8 h ALA 416 Ca 0.12 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2qq8 h ALA 416 Cb -0.01 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2qq8 h ALA 416 CO -0.02 -0.26 0.33 0.00 0.00 0.00 0.00 179.25 179.29 2qq8 h ARG 417 N 0.33 1.15 0.21 0.00 3.08 -0.94 -1.48 114.38 116.72 2qq8 h ARG 417 Ca 0.33 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2qq8 h ARG 417 Cb 0.48 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2qq8 h ARG 417 CO -0.38 0.93 -0.10 0.00 -1.07 0.00 0.00 179.97 179.35 2qq8 h ALA 418 N 1.17 -0.28 -0.61 0.04 0.00 -0.35 -0.28 119.26 118.95 2qq8 h ALA 418 Ca 0.26 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.17 2qq8 h ALA 418 Cb 0.19 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 2qq8 h ALA 418 CO -0.02 -0.63 0.26 0.87 0.00 0.00 0.00 179.25 179.73 2qq8 h LYS 419 N -0.33 0.46 -0.10 0.00 1.57 -0.70 -0.47 116.57 117.00 2qq8 h LYS 419 Ca -0.03 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2qq8 h LYS 419 Cb 0.25 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 2qq8 h LYS 419 CO 0.05 0.30 -0.18 1.49 -0.57 0.00 0.00 179.45 180.54 2qq8 h GLU 420 N 0.47 -0.23 -0.47 3.15 4.57 -1.22 -2.84 114.58 118.01 2qq8 h GLU 420 Ca 0.30 0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.60 2qq8 h GLU 420 Cb 0.32 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 2qq8 h GLU 420 CO -0.27 -0.15 0.33 -0.09 -1.18 0.00 0.00 179.01 177.65 2qq8 h ARG 421 N -0.24 0.17 -6.02 1.92 2.43 0.01 -3.51 114.38 109.14 2qq8 h ARG 421 Ca 0.09 -0.01 -0.49 0.00 -0.81 0.00 0.00 59.98 58.76 2qq8 h ARG 421 Cb 0.36 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.83 2qq8 h ARG 421 CO -0.24 0.12 1.23 -1.58 -1.51 0.00 0.00 179.97 177.99 2qq8 s TRP 422 N -5.19 1.82 0.00 2.20 0.51 -0.29 -5.08 118.94 112.91 2qq8 s TRP 422 Ca -0.06 0.56 0.00 0.00 -2.12 0.00 0.00 56.10 54.48 2qq8 s TRP 422 Cb 0.19 -4.20 0.00 0.00 -0.81 0.00 0.00 33.47 28.65 2qq8 s TRP 422 CO 0.73 -2.19 0.00 -1.91 -0.51 0.00 0.00 176.95 173.07 2qq8 n GLU 445 N 9.18 0.00 -0.01 4.98 2.13 -1.26 -4.98 120.64 130.68 2qq8 n GLU 445 Ca 0.20 0.00 0.12 0.00 0.66 0.00 0.00 57.16 58.14 2qq8 n GLU 445 Cb 0.51 -0.25 0.11 0.00 0.27 0.00 0.00 31.44 32.08 2qq8 n GLU 445 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qq8 n ALA 446 N -2.22 2.46 0.04 4.31 0.00 -1.26 -4.25 120.51 119.59 2qq8 n ALA 446 Ca 0.00 -0.71 -0.12 0.00 0.00 0.00 0.00 53.44 52.61 2qq8 n ALA 446 Cb 0.00 -0.81 -0.09 0.00 0.00 0.00 0.00 19.45 18.55 2qq8 n ALA 446 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qq8 h SER 447 N 4.69 -0.14 -0.27 0.00 0.87 -1.99 -2.25 113.55 114.46 2qq8 h SER 447 Ca 0.00 -0.42 -0.00 0.00 -1.23 0.00 0.00 61.79 60.14 2qq8 h SER 447 Cb 1.00 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 2qq8 h SER 447 CO 0.00 0.41 0.17 0.25 -0.53 0.00 0.00 176.83 177.13 2qq8 h LEU 448 N -0.75 0.34 -0.58 2.23 5.85 -1.99 0.44 115.31 120.85 2qq8 h LEU 448 Ca -0.02 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.71 2qq8 h LEU 448 Cb 0.54 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 2qq8 h LEU 448 CO 0.03 0.27 0.36 -0.33 -0.34 0.00 0.00 178.44 178.43 2qq8 h GLU 449 N 0.40 0.69 -0.43 1.25 3.07 -1.73 -0.13 114.58 117.69 2qq8 h GLU 449 Ca 0.11 -0.04 -0.12 0.00 -0.50 0.00 0.00 59.36 58.80 2qq8 h GLU 449 Cb -0.00 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.74 2qq8 h GLU 449 CO -0.02 0.46 -0.21 -0.07 -1.40 0.00 0.00 179.01 177.76 2qq8 h LEU 450 N 0.71 0.94 0.07 1.33 3.38 -0.55 -1.97 115.31 119.22 2qq8 h LEU 450 Ca 0.23 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.81 2qq8 h LEU 450 Cb 0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2qq8 h LEU 450 CO -0.10 1.14 -0.08 0.40 0.09 0.00 0.00 178.44 179.89 2qq8 h ILE 451 N 0.74 0.80 -0.65 1.22 2.04 -0.72 -1.32 117.51 119.63 2qq8 h ILE 451 Ca 0.10 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 2qq8 h ILE 451 Cb 0.78 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 2qq8 h ILE 451 CO 0.06 0.00 0.37 0.11 0.00 0.00 0.00 178.15 178.69 2qq8 h LYS 452 N -0.18 0.91 -0.07 2.37 1.57 -0.99 -0.07 116.57 120.10 2qq8 h LYS 452 Ca 0.01 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2qq8 h LYS 452 Cb 0.18 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2qq8 h LYS 452 CO -0.04 0.68 0.03 1.25 -0.57 0.00 0.00 179.45 180.80 2qq8 h LEU 453 N 0.89 0.09 -0.70 2.94 6.46 -1.25 -1.69 115.31 122.05 2qq8 h LEU 453 Ca 0.23 -0.10 0.01 0.00 -0.12 0.00 0.00 57.88 57.89 2qq8 h LEU 453 Cb 0.03 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 39.90 2qq8 h LEU 453 CO -0.04 0.16 0.46 0.44 -0.62 0.00 0.00 178.44 178.85 2qq8 h ASP 454 N 0.00 0.80 -0.83 1.25 5.19 -0.94 -2.34 116.42 119.55 2qq8 h ASP 454 Ca 0.02 -0.02 0.04 0.00 -0.62 0.00 0.00 57.03 56.45 2qq8 h ASP 454 Cb 0.10 -0.20 -0.05 0.00 0.18 0.00 0.00 39.33 39.36 2qq8 h ASP 454 CO -0.00 0.58 0.53 0.40 -3.12 0.00 0.00 179.24 177.63 2qq8 h ILE 455 N 0.95 1.11 -0.28 0.35 2.04 -0.83 -1.89 117.51 118.96 2qq8 h ILE 455 Ca 0.26 -0.35 0.06 0.00 1.00 0.00 0.00 64.86 65.83 2qq8 h ILE 455 Cb -0.11 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 35.97 2qq8 h ILE 455 CO -0.05 0.18 0.20 0.77 0.00 0.00 0.00 178.15 179.25 2qq8 h SER 456 N 1.01 0.11 -0.67 1.72 4.64 -0.76 -1.62 113.55 117.98 2qq8 h SER 456 Ca 0.34 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2qq8 h SER 456 Cb 0.04 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2qq8 h SER 456 CO -0.13 0.07 0.00 -2.11 -0.87 0.00 0.00 176.83 173.80 2qq8 n ARG 457 N -4.48 3.31 -3.01 4.77 1.85 -0.76 -4.70 116.66 113.64 2qq8 n ARG 457 Ca 0.03 -2.78 -0.43 0.00 -1.00 0.00 0.00 57.85 53.68 2qq8 n ARG 457 Cb 0.27 -1.75 -0.06 0.00 -1.05 0.00 0.00 32.46 29.88 2qq8 n ARG 457 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2qq8 s THR 458 N -1.50 4.74 -1.47 8.89 2.01 -0.61 -4.35 115.64 123.36 2qq8 s THR 458 Ca 0.49 0.51 -0.09 0.00 0.31 0.00 0.00 61.69 62.92 2qq8 s THR 458 Cb 0.29 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.58 2qq8 s THR 458 CO 0.28 -0.56 0.17 0.49 -0.69 0.00 0.00 174.62 174.31 2qq8 n PHE 459 N 6.45 -1.29 0.27 4.92 3.72 -1.26 -4.67 117.46 125.60 2qq8 n PHE 459 Ca 0.01 0.48 0.15 0.00 -0.05 0.00 0.00 57.45 58.03 2qq8 n PHE 459 Cb 0.48 -2.81 0.77 0.00 -0.94 0.00 0.00 39.48 36.98 2qq8 n PHE 459 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2qq8 h PRO 460 N -2.01 0.00 0.00 -1.08 0.13 -1.84 -1.72 132.00 125.49 2qq8 h PRO 460 Ca -0.67 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.44 2qq8 h PRO 460 Cb 1.40 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.53 2qq8 h PRO 460 CO 0.66 0.09 -0.05 -2.95 -0.23 0.00 0.00 178.00 175.52 2qq8 h ASN 461 N 0.00 0.00 1.36 1.44 -1.07 -1.96 -2.35 115.58 113.00 2qq8 h ASN 461 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 56.30 56.29 2qq8 h ASN 461 Cb 0.35 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.59 2qq8 h ASN 461 CO 0.01 0.05 -0.36 -0.07 0.07 0.00 0.00 177.43 177.14 2qq8 h LEU 462 N 0.00 0.00 -1.21 6.14 3.38 -1.67 -3.47 115.31 118.47 2qq8 h LEU 462 Ca -0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 2qq8 h LEU 462 Cb 0.11 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.76 2qq8 h LEU 462 CO 0.01 0.36 -0.81 0.00 0.09 0.00 0.00 178.44 178.09 2qq8 n ILE 464 N -4.51 0.20 0.37 0.00 -5.35 -1.26 -4.64 119.36 104.17 2qq8 n ILE 464 Ca -0.02 -0.18 0.11 0.00 -0.27 0.00 0.00 62.75 62.40 2qq8 n ILE 464 Cb 0.55 -0.33 -0.01 0.00 -1.74 0.00 0.00 39.64 38.10 2qq8 n ILE 464 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2qq8 n PHE 465 N -1.98 0.39 -2.03 4.28 3.72 -1.26 -1.42 117.46 119.17 2qq8 n PHE 465 Ca -0.05 0.11 -0.29 0.00 -0.05 0.00 0.00 57.45 57.17 2qq8 n PHE 465 Cb 0.44 -0.57 0.04 0.00 -0.94 0.00 0.00 39.48 38.45 2qq8 n PHE 465 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2qq8 s GLN 466 N -3.29 2.87 0.14 -1.08 1.11 -1.26 -4.05 119.66 114.10 2qq8 s GLN 466 Ca 0.01 0.33 -0.35 0.00 0.01 0.00 0.00 55.36 55.36 2qq8 s GLN 466 Cb 0.13 -2.09 -0.16 0.00 -1.01 0.00 0.00 33.01 29.88 2qq8 s GLN 466 CO 0.82 -0.94 1.31 0.94 0.01 0.00 0.00 175.29 177.42 2qq8 n GLN 467 N -2.89 1.33 0.00 2.91 7.27 -1.26 -0.34 117.38 124.40 2qq8 n GLN 467 Ca 0.06 0.48 0.00 0.00 0.07 0.00 0.00 57.00 57.61 2qq8 n GLN 467 Cb 0.57 -2.08 0.00 0.00 2.41 0.00 0.00 30.24 31.14 2qq8 n GLN 467 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2qq8 n GLY 468 N 2.42 2.51 3.89 1.69 0.00 -1.26 -5.05 105.19 109.38 2qq8 n GLY 468 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2qq8 n GLY 468 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qq8 s GLY 469 N -1.85 1.58 0.10 -0.02 0.00 0.54 -4.98 107.32 102.69 2qq8 s GLY 469 Ca 0.00 -0.31 0.20 0.00 0.00 0.00 0.00 44.72 44.60 2qq8 s GLY 469 CO 0.00 -0.09 1.61 -1.55 0.00 0.00 0.00 173.10 173.07 2qq8 n PRO 470 N -2.52 0.08 -0.11 2.90 -0.04 -1.16 -2.67 135.00 131.48 2qq8 n PRO 470 Ca 0.03 0.28 0.06 0.00 -0.04 0.00 0.00 63.50 63.84 2qq8 n PRO 470 Cb 0.55 -1.64 0.12 0.00 -0.04 0.00 0.00 33.50 32.48 2qq8 n PRO 470 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2qq8 n TYR 471 N -1.79 0.30 0.05 0.54 4.02 -0.50 -4.75 117.16 115.03 2qq8 n TYR 471 Ca 0.03 -0.29 -0.13 0.00 -0.01 0.00 0.00 57.90 57.50 2qq8 n TYR 471 Cb 0.22 -0.01 -0.09 0.00 -0.02 0.00 0.00 39.34 39.44 2qq8 n TYR 471 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 2qq8 h HIS 472 N 2.31 -0.11 -0.55 -0.72 2.76 -1.51 -0.89 115.15 116.44 2qq8 h HIS 472 Ca 0.00 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.10 2qq8 h HIS 472 Cb 0.66 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.63 2qq8 h HIS 472 CO 0.15 0.19 0.08 -0.44 -1.30 0.00 0.00 177.93 176.61 2qq8 h ASP 473 N -0.42 0.83 -0.32 3.26 3.32 -1.85 -0.73 116.42 120.50 2qq8 h ASP 473 Ca -0.01 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 2qq8 h ASP 473 Cb 0.35 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 2qq8 h ASP 473 CO 0.02 0.85 0.17 0.24 -1.72 0.00 0.00 179.24 178.80 2qq8 h MET 474 N 0.83 0.46 -0.16 3.56 2.86 -1.85 -0.49 114.93 120.13 2qq8 h MET 474 Ca 0.17 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.77 2qq8 h MET 474 Cb 0.38 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 2qq8 h MET 474 CO 0.01 0.40 0.06 1.25 1.06 0.00 0.00 176.91 179.69 2qq8 h LEU 475 N 0.39 0.08 -0.86 1.22 5.85 -0.79 -1.27 115.31 119.94 2qq8 h LEU 475 Ca 0.11 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.94 2qq8 h LEU 475 Cb 0.08 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.04 2qq8 h LEU 475 CO -0.02 0.07 0.50 0.45 -0.34 0.00 0.00 178.44 179.11 2qq8 h HIS 476 N 0.15 0.91 -0.34 1.25 3.86 -1.03 -2.41 115.15 117.53 2qq8 h HIS 476 Ca 0.07 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 2qq8 h HIS 476 Cb 0.03 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.21 2qq8 h HIS 476 CO -0.10 0.38 0.09 0.77 0.86 0.00 0.00 177.93 179.92 2qq8 h SER 477 N 0.84 0.51 -0.26 2.45 0.02 -0.57 0.52 113.55 117.06 2qq8 h SER 477 Ca 0.41 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2qq8 h SER 477 Cb 0.36 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 2qq8 h SER 477 CO -0.24 0.60 0.16 0.40 -1.14 0.00 0.00 176.83 176.61 2qq8 h ILE 478 N 0.39 1.08 -0.22 3.27 1.08 -1.10 -0.59 117.51 121.43 2qq8 h ILE 478 Ca 0.11 -0.19 -0.08 0.00 -0.39 0.00 0.00 64.86 64.31 2qq8 h ILE 478 Cb 0.29 0.75 -0.00 0.00 -3.07 0.00 0.00 36.82 34.78 2qq8 h ILE 478 CO 0.00 0.08 -0.19 -0.07 -0.69 0.00 0.00 178.15 177.29 2qq8 h LEU 479 N 0.33 0.54 -0.26 1.44 3.38 -1.30 -1.11 115.31 118.33 2qq8 h LEU 479 Ca 0.09 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 2qq8 h LEU 479 Cb -0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2qq8 h LEU 479 CO -0.02 0.89 0.14 1.23 0.09 0.00 0.00 178.44 180.78 2qq8 h GLY 480 N 0.20 0.38 0.80 0.83 0.00 -0.92 -1.57 103.07 102.79 2qq8 h GLY 480 Ca 0.04 -0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.24 2qq8 h GLY 480 CO 0.05 0.16 0.38 0.00 0.00 0.00 0.00 176.54 177.13 2qq8 h ALA 481 N 1.03 0.83 -0.91 3.60 0.00 -1.06 -2.56 119.26 120.20 2qq8 h ALA 481 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2qq8 h ALA 481 Cb 0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2qq8 h ALA 481 CO -0.02 0.09 0.58 -0.92 0.00 0.00 0.00 179.25 178.99 2qq8 h TYR 482 N 0.72 1.17 0.00 0.00 3.20 -0.94 -0.43 116.97 120.69 2qq8 h TYR 482 Ca 0.27 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 2qq8 h TYR 482 Cb 0.08 -0.39 -0.00 0.00 1.54 0.00 0.00 36.73 37.96 2qq8 h TYR 482 CO -0.06 0.76 -0.00 1.79 -1.64 0.00 0.00 178.16 179.00 2qq8 h THR 483 N 1.24 0.00 0.00 1.81 1.35 -0.89 0.45 112.91 116.88 2qq8 h THR 483 Ca 0.33 -0.26 -0.16 0.00 -0.55 0.00 0.00 66.41 65.78 2qq8 h THR 483 Cb -0.10 1.25 -0.03 0.00 -1.73 0.00 0.00 68.15 67.55 2qq8 h THR 483 CO -0.07 0.00 -1.32 0.00 -0.25 0.00 0.00 175.52 173.88 2qq8 h TYR 485 N 0.00 0.41 -2.42 0.00 3.20 -0.51 -3.38 116.97 114.27 2qq8 h TYR 485 Ca -0.14 -0.23 -0.60 0.00 3.14 0.00 0.00 58.73 60.90 2qq8 h TYR 485 Cb 1.55 -0.05 -0.42 0.00 1.54 0.00 0.00 36.73 39.36 2qq8 h TYR 485 CO 0.00 1.05 -0.65 0.54 -1.64 0.00 0.00 178.16 177.45 2qq8 n ARG 486 N -4.37 2.07 0.30 1.82 5.12 0.09 -4.93 116.66 116.77 2qq8 n ARG 486 Ca -0.10 -4.42 0.20 0.00 -1.93 0.00 0.00 57.85 51.59 2qq8 n ARG 486 Cb 0.59 -2.14 0.98 0.00 -1.16 0.00 0.00 32.46 30.73 2qq8 n ARG 486 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2qq8 h PRO 487 N 4.54 0.00 -0.10 5.56 0.13 -1.69 -0.38 132.00 140.05 2qq8 h PRO 487 Ca 0.18 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.16 2qq8 h PRO 487 Cb 0.72 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 2qq8 h PRO 487 CO 0.75 0.00 -0.56 0.38 -0.23 0.00 0.00 178.00 178.34 2qq8 h ASP 488 N 0.00 0.34 0.04 1.44 2.03 -1.91 -3.29 116.42 115.07 2qq8 h ASP 488 Ca 0.00 -0.19 -0.07 0.00 -0.73 0.00 0.00 57.03 56.05 2qq8 h ASP 488 Cb 0.18 -0.10 0.01 0.00 -0.83 0.00 0.00 39.33 38.59 2qq8 h ASP 488 CO 0.00 0.83 -0.30 0.58 -1.03 0.00 0.00 179.24 179.33 2qq8 h VAL 489 N 0.24 1.68 -0.31 4.15 2.07 -1.51 -3.50 116.25 119.06 2qq8 h VAL 489 Ca 0.00 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.12 2qq8 h VAL 489 Cb 1.06 3.30 0.00 0.00 -1.52 0.00 0.00 31.29 34.13 2qq8 h VAL 489 CO 0.09 0.64 0.00 0.61 0.02 0.00 0.00 177.57 178.93 2qq8 n GLY 490 N 1.63 -0.06 3.71 2.17 0.00 -0.34 -4.67 105.19 107.63 2qq8 n GLY 490 Ca -0.12 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.53 2qq8 n GLY 490 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qq8 s TYR 491 N 0.00 3.48 -0.13 1.61 5.04 -1.26 -4.70 117.35 121.39 2qq8 s TYR 491 Ca 0.00 0.79 -0.00 0.00 -2.44 0.00 0.00 57.07 55.42 2qq8 s TYR 491 Cb 0.00 -2.52 -0.02 0.00 0.35 0.00 0.00 41.96 39.78 2qq8 s TYR 491 CO 0.00 0.14 -0.13 0.08 -1.34 0.00 0.00 175.55 174.30 2qq8 s VAL 492 N 0.75 3.10 0.28 3.14 1.01 -1.26 -5.04 120.40 122.37 2qq8 s VAL 492 Ca 0.23 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 2qq8 s VAL 492 Cb -0.15 -2.30 -0.13 0.00 0.00 0.00 0.00 36.38 33.80 2qq8 s VAL 492 CO 0.09 0.53 1.30 0.00 0.00 0.00 0.00 175.10 177.01 2qq8 n GLN 493 N 3.43 1.93 0.00 2.72 6.02 -1.26 -1.23 117.38 129.00 2qq8 n GLN 493 Ca -0.18 0.68 0.00 0.00 -0.01 0.00 0.00 57.00 57.49 2qq8 n GLN 493 Cb 0.53 -2.26 0.00 0.00 1.02 0.00 0.00 30.24 29.52 2qq8 n GLN 493 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qq8 n GLY 494 N 1.50 2.78 0.37 1.08 0.00 -1.26 -4.94 105.19 104.72 2qq8 n GLY 494 Ca 0.09 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.21 2qq8 n GLY 494 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2qq8 h MET 495 N 0.61 0.71 -0.79 1.61 2.86 -1.59 -2.46 114.93 115.88 2qq8 h MET 495 Ca 0.00 -0.04 0.11 0.00 -2.06 0.00 0.00 59.70 57.71 2qq8 h MET 495 Cb 0.00 -0.16 -0.06 0.00 0.06 0.00 0.00 31.60 31.44 2qq8 h MET 495 CO 0.00 0.47 0.52 0.66 1.06 0.00 0.00 176.91 179.62 2qq8 h SER 496 N 0.73 0.61 -0.30 1.22 4.64 -1.92 -1.69 113.55 116.84 2qq8 h SER 496 Ca 0.43 0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.62 2qq8 h SER 496 Cb 0.61 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 2qq8 h SER 496 CO -0.19 0.35 -0.34 -0.26 -0.87 0.00 0.00 176.83 175.53 2qq8 h PHE 497 N 0.67 0.97 -0.12 4.77 0.04 -1.80 0.56 116.94 122.04 2qq8 h PHE 497 Ca 0.37 -0.27 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 2qq8 h PHE 497 Cb 0.54 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.47 2qq8 h PHE 497 CO -0.00 1.05 0.02 0.82 -0.60 0.00 0.00 178.31 179.59 2qq8 h ILE 498 N 0.69 1.22 -0.64 -0.55 2.04 -1.44 -2.43 117.51 116.41 2qq8 h ILE 498 Ca 0.07 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.17 2qq8 h ILE 498 Cb 0.89 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 38.41 2qq8 h ILE 498 CO 0.08 0.20 0.19 0.00 0.00 0.00 0.00 178.15 178.62 2qq8 h ALA 499 N 0.79 1.13 -0.27 1.87 0.00 -1.20 -2.58 119.26 119.00 2qq8 h ALA 499 Ca 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2qq8 h ALA 499 Cb 0.30 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2qq8 h ALA 499 CO 0.00 0.60 0.14 0.00 0.00 0.00 0.00 179.25 179.99 2qq8 h ALA 500 N 1.26 0.34 -0.74 0.00 0.00 -0.82 0.82 119.26 120.12 2qq8 h ALA 500 Ca 0.21 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2qq8 h ALA 500 Cb 0.28 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2qq8 h ALA 500 CO -0.01 -0.12 0.46 0.28 0.00 0.00 0.00 179.25 179.87 2qq8 h VAL 501 N 0.31 1.08 -0.27 0.00 2.07 -1.31 -2.34 116.25 115.79 2qq8 h VAL 501 Ca 0.09 -0.30 -0.10 0.00 0.82 0.00 0.00 66.70 67.21 2qq8 h VAL 501 Cb 0.08 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 2qq8 h VAL 501 CO -0.01 0.16 -0.21 -0.07 0.02 0.00 0.00 177.57 177.46 2qq8 h LEU 502 N 0.88 0.65 -1.50 2.57 3.38 -1.05 -3.17 115.31 117.08 2qq8 h LEU 502 Ca 0.31 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2qq8 h LEU 502 Cb 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2qq8 h LEU 502 CO -0.13 0.96 -0.24 0.16 0.09 0.00 0.00 178.44 179.28 2qq8 h ILE 503 N 0.34 0.86 0.00 1.22 3.07 -0.71 0.55 117.51 122.84 2qq8 h ILE 503 Ca 0.05 -0.94 -0.01 0.00 1.55 0.00 0.00 64.86 65.50 2qq8 h ILE 503 Cb 0.76 1.56 -0.00 0.00 -0.27 0.00 0.00 36.82 38.87 2qq8 h ILE 503 CO 0.06 0.24 -0.06 -0.07 -1.05 0.00 0.00 178.15 177.26 2qq8 h LEU 504 N 0.00 0.00 0.00 0.16 3.38 -1.39 -3.32 115.31 114.14 2qq8 h LEU 504 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qq8 h LEU 504 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2qq8 h LEU 504 CO 0.03 0.06 -0.13 0.59 0.09 0.00 0.00 178.44 179.08 2qq8 n ASN 505 N -3.63 0.20 -4.01 -0.43 3.02 -0.57 -5.05 115.26 104.80 2qq8 n ASN 505 Ca -0.02 -0.54 -0.10 0.00 -0.03 0.00 0.00 54.58 53.89 2qq8 n ASN 505 Cb 0.17 1.00 -0.11 0.00 -0.61 0.00 0.00 39.78 40.23 2qq8 n ASN 505 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2qq8 s LEU 506 N -2.13 2.26 0.83 3.41 1.43 0.08 -3.44 118.68 121.12 2qq8 s LEU 506 Ca 0.01 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 2qq8 s LEU 506 Cb 0.02 0.03 0.10 0.00 0.03 0.00 0.00 46.19 46.37 2qq8 s LEU 506 CO 0.09 -0.29 1.14 -1.81 0.23 0.00 0.00 176.35 175.72 2qq8 s ASP 507 N -1.56 3.66 0.18 2.29 1.01 -1.26 -4.49 116.67 116.51 2qq8 s ASP 507 Ca -0.13 2.12 -0.13 0.00 0.71 0.00 0.00 52.55 55.12 2qq8 s ASP 507 Cb -0.09 -2.56 0.12 0.00 1.01 0.00 0.00 42.92 41.40 2qq8 s ASP 507 CO -0.01 -2.61 1.81 0.74 0.21 0.00 0.00 175.17 175.32 2qq8 h THR 508 N -1.30 1.04 -0.41 -1.27 2.02 -1.95 0.84 112.91 111.89 2qq8 h THR 508 Ca -0.44 -0.22 -0.07 0.00 0.77 0.00 0.00 66.41 66.45 2qq8 h THR 508 Cb 1.26 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 2qq8 h THR 508 CO 0.46 0.11 -0.02 0.00 0.37 0.00 0.00 175.52 176.45 2qq8 h ALA 509 N 1.25 0.55 -0.53 6.16 0.00 -1.98 0.19 119.26 124.90 2qq8 h ALA 509 Ca 0.22 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2qq8 h ALA 509 Cb 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2qq8 h ALA 509 CO -0.10 0.35 0.08 -0.44 0.00 0.00 0.00 179.25 179.13 2qq8 h ASP 510 N 0.56 0.80 -0.60 0.00 3.32 -1.84 -1.23 116.42 117.42 2qq8 h ASP 510 Ca 0.11 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 2qq8 h ASP 510 Cb 0.51 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 2qq8 h ASP 510 CO 0.02 0.81 0.37 0.00 -1.72 0.00 0.00 179.24 178.73 2qq8 h ALA 511 N 1.29 0.77 -0.82 3.45 0.00 -0.53 -1.04 119.26 122.37 2qq8 h ALA 511 Ca 0.17 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2qq8 h ALA 511 Cb 0.37 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2qq8 h ALA 511 CO 0.01 0.24 0.54 0.35 0.00 0.00 0.00 179.25 180.38 2qq8 h PHE 512 N 0.81 1.01 -0.32 0.00 3.57 -0.48 0.17 116.94 121.71 2qq8 h PHE 512 Ca 0.22 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.76 2qq8 h PHE 512 Cb -0.03 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.35 2qq8 h PHE 512 CO -0.02 0.61 0.18 0.82 -2.23 0.00 0.00 178.31 177.67 2qq8 h ILE 513 N 1.07 1.02 -0.37 1.41 2.04 -0.90 -1.76 117.51 120.02 2qq8 h ILE 513 Ca 0.31 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.98 2qq8 h ILE 513 Cb -0.07 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 2qq8 h ILE 513 CO -0.09 0.07 -0.01 0.00 0.00 0.00 0.00 178.15 178.12 2qq8 h ALA 514 N 1.15 0.50 0.16 1.87 0.00 -0.79 -2.09 119.26 120.05 2qq8 h ALA 514 Ca 0.13 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2qq8 h ALA 514 Cb 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2qq8 h ALA 514 CO -0.07 0.28 -0.19 0.35 0.00 0.00 0.00 179.25 179.63 2qq8 h PHE 515 N 0.48 -0.49 -0.38 0.00 3.57 -0.57 0.16 116.94 119.71 2qq8 h PHE 515 Ca 0.10 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2qq8 h PHE 515 Cb 0.48 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 2qq8 h PHE 515 CO 0.04 -0.28 0.24 0.77 -2.23 0.00 0.00 178.31 176.85 2qq8 h SER 516 N -0.39 0.45 -0.04 0.41 0.02 -1.29 -1.42 113.55 111.29 2qq8 h SER 516 Ca 0.01 -0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.81 2qq8 h SER 516 Cb 0.38 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2qq8 h SER 516 CO -0.07 0.35 -0.32 0.78 -1.14 0.00 0.00 176.83 176.43 2qq8 h ASN 517 N 0.51 0.53 -0.37 3.07 2.35 -1.29 -2.54 115.58 117.83 2qq8 h ASN 517 Ca 0.14 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 2qq8 h ASN 517 Cb -0.03 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 2qq8 h ASN 517 CO -0.03 0.82 0.17 0.25 -1.65 0.00 0.00 177.43 176.99 2qq8 h LEU 518 N 0.44 0.49 -2.57 1.61 5.85 -0.38 -2.44 115.31 118.30 2qq8 h LEU 518 Ca 0.05 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 2qq8 h LEU 518 Cb 0.77 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 2qq8 h LEU 518 CO 0.06 0.49 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.57 2qq8 h LEU 519 N 0.46 0.00 -0.04 2.25 3.38 -1.16 -2.31 115.31 117.89 2qq8 h LEU 519 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2qq8 h LEU 519 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2qq8 h LEU 519 CO -0.01 0.00 -0.23 -3.20 0.09 0.00 0.00 178.44 175.09 2qq8 n ASN 520 N -3.13 0.30 -4.77 -0.43 5.15 -0.93 -3.80 115.26 107.65 2qq8 n ASN 520 Ca -0.02 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.60 2qq8 n ASN 520 Cb 0.13 -0.11 0.00 0.00 -0.53 0.00 0.00 39.78 39.28 2qq8 n ASN 520 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2qq8 s LYS 521 N -2.92 3.50 0.29 1.20 -0.14 -0.87 -4.77 119.74 116.04 2qq8 s LYS 521 Ca 0.15 1.80 0.04 0.00 -1.36 0.00 0.00 55.97 56.60 2qq8 s LYS 521 Cb 0.19 -2.24 0.72 0.00 -1.68 0.00 0.00 37.83 34.82 2qq8 s LYS 521 CO 0.59 -0.77 1.72 -1.35 -0.76 0.00 0.00 175.35 174.79 2qq8 h PRO 522 N 1.65 0.51 0.26 -1.68 0.11 -1.91 -0.24 132.00 130.70 2qq8 h PRO 522 Ca -0.50 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 2qq8 h PRO 522 Cb 1.26 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2qq8 h PRO 522 CO 0.58 0.34 -0.13 0.00 -0.21 0.00 0.00 178.00 178.58 2qq8 h GLN 524 N -0.78 1.13 0.03 0.00 7.50 -1.74 -2.37 115.11 118.88 2qq8 h GLN 524 Ca -0.04 -0.07 0.00 0.00 0.50 0.00 0.00 58.65 59.05 2qq8 h GLN 524 Cb 0.50 -0.26 -0.00 0.00 0.05 0.00 0.00 27.48 27.77 2qq8 h GLN 524 CO 0.06 0.75 -0.03 0.52 -1.50 0.00 0.00 178.83 178.63 2qq8 h MET 525 N 1.17 -0.07 -0.90 1.46 2.86 -1.04 -1.83 114.93 116.57 2qq8 h MET 525 Ca 0.33 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 58.08 2qq8 h MET 525 Cb -0.11 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.49 2qq8 h MET 525 CO -0.08 -0.05 0.54 0.00 1.06 0.00 0.00 176.91 178.38 2qq8 h ALA 526 N 0.90 1.33 -0.00 6.32 0.00 -1.00 -0.73 119.26 126.08 2qq8 h ALA 526 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qq8 h ALA 526 Cb 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2qq8 h ALA 526 CO -0.02 0.13 -0.15 1.19 0.00 0.00 0.00 179.25 180.40 2qq8 n PHE 527 N -4.71 0.00 -0.07 0.00 3.72 -0.92 -3.77 117.46 111.72 2qq8 n PHE 527 Ca 0.16 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.49 2qq8 n PHE 527 Cb 0.33 -0.26 -0.10 0.00 -0.94 0.00 0.00 39.48 38.51 2qq8 n PHE 527 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2qq8 n PHE 528 N -1.17 0.00 -2.54 1.38 3.72 -0.71 -4.85 117.46 113.28 2qq8 n PHE 528 Ca 0.11 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.15 2qq8 n PHE 528 Cb 0.30 -0.65 -0.04 0.00 -0.94 0.00 0.00 39.48 38.15 2qq8 n PHE 528 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2qq8 s ARG 529 N -2.32 4.08 0.37 -1.08 1.70 -0.33 -4.95 118.95 116.42 2qq8 s ARG 529 Ca -0.09 1.48 0.04 0.00 -0.47 0.00 0.00 55.73 56.69 2qq8 s ARG 529 Cb 0.04 -2.44 0.70 0.00 -0.57 0.00 0.00 34.95 32.69 2qq8 s ARG 529 CO 0.52 -0.20 2.00 -0.24 -1.08 0.00 0.00 175.30 176.30 2qq8 h VAL 530 N 2.05 1.15 -3.07 4.99 3.04 -1.91 -3.39 116.25 119.11 2qq8 h VAL 530 Ca -0.49 -0.35 -0.57 0.00 -1.01 0.00 0.00 66.70 64.28 2qq8 h VAL 530 Cb 1.22 0.46 -0.05 0.00 -2.01 0.00 0.00 31.29 30.91 2qq8 h VAL 530 CO 0.62 0.16 0.95 -0.62 -1.01 0.00 0.00 177.57 177.66 2qq8 s ASP 531 N -6.60 6.76 0.00 3.17 -1.08 -1.26 -4.93 116.67 112.73 2qq8 s ASP 531 Ca -0.09 1.35 0.13 0.00 -0.52 0.00 0.00 52.55 53.42 2qq8 s ASP 531 Cb 0.17 -2.54 0.43 0.00 -1.46 0.00 0.00 42.92 39.53 2qq8 s ASP 531 CO 0.75 -0.98 1.33 1.41 0.52 0.00 0.00 175.17 178.21 2qq8 n HIS 532 N 7.32 0.36 -0.04 -5.34 8.25 -1.26 -4.46 115.22 120.04 2qq8 n HIS 532 Ca 0.14 -0.18 -0.11 0.00 -0.26 0.00 0.00 57.72 57.32 2qq8 n HIS 532 Cb 0.46 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.52 2qq8 n HIS 532 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2qq8 h GLY 533 N 5.23 0.25 1.05 -1.41 0.00 -1.93 -0.39 103.07 105.87 2qq8 h GLY 533 Ca 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 2qq8 h GLY 533 CO 0.00 0.12 0.11 0.17 0.00 0.00 0.00 176.54 176.94 2qq8 h LEU 534 N 0.14 1.00 -1.33 3.11 -0.00 -1.91 -2.90 115.31 113.43 2qq8 h LEU 534 Ca 0.06 -0.26 0.01 0.00 -0.00 0.00 0.00 57.88 57.69 2qq8 h LEU 534 Cb 0.11 -0.26 -0.03 0.00 -0.00 0.00 0.00 40.66 40.47 2qq8 h LEU 534 CO -0.01 1.00 0.46 -0.03 -0.00 0.00 0.00 178.44 179.86 2qq8 h MET 535 N 0.96 0.90 -0.49 0.17 -1.53 -1.63 -1.41 114.93 111.89 2qq8 h MET 535 Ca 0.19 -0.05 0.00 0.00 -3.44 0.00 0.00 59.70 56.40 2qq8 h MET 535 Cb 0.42 -0.20 -0.02 0.00 -0.55 0.00 0.00 31.60 31.24 2qq8 h MET 535 CO 0.01 0.59 0.31 -0.07 0.14 0.00 0.00 176.91 177.89 2qq8 h LEU 536 N 0.93 0.57 -0.41 3.39 3.38 -0.88 -0.97 115.31 121.31 2qq8 h LEU 536 Ca 0.26 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 58.02 2qq8 h LEU 536 Cb -0.09 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 2qq8 h LEU 536 CO -0.06 0.42 -0.72 0.71 0.09 0.00 0.00 178.44 178.89 2qq8 h THR 537 N 0.66 1.38 -0.62 0.22 1.35 -1.19 -1.20 112.91 113.51 2qq8 h THR 537 Ca 0.18 -2.12 -0.02 0.00 -0.55 0.00 0.00 66.41 63.90 2qq8 h THR 537 Cb -0.05 2.10 -0.03 0.00 -1.73 0.00 0.00 68.15 68.44 2qq8 h THR 537 CO -0.04 0.64 0.31 1.88 -0.25 0.00 0.00 175.52 178.07 2qq8 h TYR 538 N 0.28 0.88 -0.52 4.73 -1.99 -1.12 -1.31 116.97 117.92 2qq8 h TYR 538 Ca -0.03 -0.04 0.02 0.00 2.00 0.00 0.00 58.73 60.69 2qq8 h TYR 538 Cb 1.29 -0.28 -0.03 0.00 2.00 0.00 0.00 36.73 39.71 2qq8 h TYR 538 CO 0.04 0.65 0.31 0.74 -0.00 0.00 0.00 178.16 179.91 2qq8 h PHE 539 N 0.85 0.59 -0.41 4.88 0.04 -1.03 0.49 116.94 122.34 2qq8 h PHE 539 Ca 0.21 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.98 2qq8 h PHE 539 Cb 0.09 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.03 2qq8 h PHE 539 CO -0.00 0.34 0.19 0.00 -0.60 0.00 0.00 178.31 178.23 2qq8 h ALA 540 N 1.22 0.53 -0.47 2.45 0.00 -1.01 -0.04 119.26 121.94 2qq8 h ALA 540 Ca 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2qq8 h ALA 540 Cb 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2qq8 h ALA 540 CO -0.09 0.11 0.20 0.00 0.00 0.00 0.00 179.25 179.48 2qq8 h ALA 541 N 1.03 0.61 -0.43 0.00 0.00 -0.99 -2.12 119.26 117.35 2qq8 h ALA 541 Ca 0.14 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.00 2qq8 h ALA 541 Cb 0.14 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 2qq8 h ALA 541 CO -0.02 0.20 -0.06 0.35 0.00 0.00 0.00 179.25 179.72 2qq8 h PHE 542 N 0.62 -0.14 -0.05 0.00 3.57 -0.68 -2.24 116.94 118.01 2qq8 h PHE 542 Ca 0.16 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 2qq8 h PHE 542 Cb 0.16 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 2qq8 h PHE 542 CO -0.00 -0.15 -0.11 0.93 -2.23 0.00 0.00 178.31 176.75 2qq8 h GLU 543 N 0.04 0.07 -0.25 1.11 5.08 -0.69 0.45 114.58 120.39 2qq8 h GLU 543 Ca 0.21 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.58 2qq8 h GLU 543 Cb 0.32 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2qq8 h GLU 543 CO -0.41 0.19 0.11 0.28 -1.00 0.00 0.00 179.01 178.18 2qq8 h VAL 544 N 0.07 0.97 -0.02 3.13 2.07 -0.78 -1.15 116.25 120.53 2qq8 h VAL 544 Ca 0.01 -0.08 -0.18 0.00 0.82 0.00 0.00 66.70 67.27 2qq8 h VAL 544 Cb 0.24 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2qq8 h VAL 544 CO 0.02 0.04 -0.78 -0.26 0.02 0.00 0.00 177.57 176.61 2qq8 h PHE 545 N 0.24 0.28 0.28 1.57 0.04 -1.22 -1.96 116.94 116.17 2qq8 h PHE 545 Ca 0.11 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 2qq8 h PHE 545 Cb 0.05 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.16 2qq8 h PHE 545 CO -0.11 0.90 -0.13 0.35 -0.60 0.00 0.00 178.31 178.72 2qq8 h PHE 546 N 0.12 -0.35 -0.58 -0.55 3.04 -0.85 -0.74 116.94 117.04 2qq8 h PHE 546 Ca -0.03 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.86 2qq8 h PHE 546 Cb 1.36 0.11 -0.02 0.00 2.56 0.00 0.00 35.95 39.96 2qq8 h PHE 546 CO 0.02 -0.14 0.16 1.49 -2.02 0.00 0.00 178.31 177.82 2qq8 h GLU 547 N -0.48 0.91 -0.34 1.11 4.81 -1.18 0.16 114.58 119.57 2qq8 h GLU 547 Ca -0.04 -0.21 0.06 0.00 -0.13 0.00 0.00 59.36 59.04 2qq8 h GLU 547 Cb 0.36 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.56 2qq8 h GLU 547 CO 0.06 0.83 -0.01 1.49 -0.73 0.00 0.00 179.01 180.66 2qq8 h GLU 548 N 0.82 0.09 0.05 1.92 4.57 -1.29 -2.83 114.58 117.91 2qq8 h GLU 548 Ca 0.18 -0.01 -0.31 0.00 -1.18 0.00 0.00 59.36 58.05 2qq8 h GLU 548 Cb 0.32 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 2qq8 h GLU 548 CO -0.00 0.06 -1.69 -0.91 -1.18 0.00 0.00 179.01 175.29 2qq8 h ASN 549 N 0.09 0.17 -2.10 1.04 2.35 -0.94 -3.41 115.58 112.78 2qq8 h ASN 549 Ca 0.16 -0.32 -0.52 0.00 -0.55 0.00 0.00 56.30 55.07 2qq8 h ASN 549 Cb 0.23 -0.06 -0.41 0.00 0.05 0.00 0.00 38.32 38.14 2qq8 h ASN 549 CO -0.28 1.28 -1.00 0.18 -1.65 0.00 0.00 177.43 175.96 2qq8 n LEU 550 N -3.25 2.10 -0.21 1.61 4.77 0.54 -4.98 117.00 117.59 2qq8 n LEU 550 Ca -0.19 -5.24 0.03 0.00 -0.03 0.00 0.00 56.01 50.58 2qq8 n LEU 550 Cb 1.04 0.27 0.29 0.00 -2.33 0.00 0.00 43.42 42.68 2qq8 n LEU 550 CO 0.46 2.31 1.23 1.55 -1.33 0.00 0.00 177.39 181.60 2qq8 h PRO 551 N 3.03 0.89 -0.04 3.23 0.13 -1.64 -0.77 132.00 136.82 2qq8 h PRO 551 Ca 0.11 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.18 2qq8 h PRO 551 Cb 0.80 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 2qq8 h PRO 551 CO 0.61 0.59 -0.02 0.87 -0.23 0.00 0.00 178.00 179.82 2qq8 h LYS 552 N 0.91 0.09 -0.67 0.86 1.57 -1.93 -1.94 116.57 115.47 2qq8 h LYS 552 Ca 0.30 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 59.02 2qq8 h LYS 552 Cb 0.07 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2qq8 h LYS 552 CO -0.09 0.46 0.30 1.25 -0.57 0.00 0.00 179.45 180.80 2qq8 h LEU 553 N -0.29 0.87 -0.31 2.94 5.85 -1.91 -1.69 115.31 120.77 2qq8 h LEU 553 Ca 0.01 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.69 2qq8 h LEU 553 Cb 0.43 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 2qq8 h LEU 553 CO 0.01 0.76 -0.05 0.15 -0.34 0.00 0.00 178.44 178.97 2qq8 h PHE 554 N 0.95 -0.10 -0.56 1.25 3.57 -1.02 0.22 116.94 121.25 2qq8 h PHE 554 Ca 0.23 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 2qq8 h PHE 554 Cb 0.13 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 2qq8 h PHE 554 CO 0.01 -0.10 0.30 0.00 -2.23 0.00 0.00 178.31 176.29 2qq8 h ALA 555 N 1.29 0.72 -0.24 2.41 0.00 -1.16 -0.29 119.26 121.99 2qq8 h ALA 555 Ca 0.15 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2qq8 h ALA 555 Cb 0.22 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2qq8 h ALA 555 CO -0.29 0.25 0.04 1.25 0.00 0.00 0.00 179.25 180.50 2qq8 h HIS 556 N 0.75 0.07 -0.23 0.00 -0.00 -0.81 0.40 115.15 115.34 2qq8 h HIS 556 Ca 0.20 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.62 2qq8 h HIS 556 Cb 0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.44 2qq8 h HIS 556 CO -0.01 0.02 -0.01 0.74 -0.00 0.00 0.00 177.93 178.67 2qq8 h PHE 557 N 0.13 -0.03 -0.20 5.26 -1.00 -0.45 -2.52 116.94 118.14 2qq8 h PHE 557 Ca 0.11 0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.95 2qq8 h PHE 557 Cb 0.11 0.05 -0.04 0.00 3.61 0.00 0.00 35.95 39.68 2qq8 h PHE 557 CO -0.16 -0.04 -0.05 0.87 -1.61 0.00 0.00 178.31 177.32 2qq8 h LYS 558 N 0.06 0.00 -0.68 1.51 1.79 -0.42 -1.21 116.57 117.62 2qq8 h LYS 558 Ca 0.11 -0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.67 2qq8 h LYS 558 Cb 0.14 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.75 2qq8 h LYS 558 CO -0.19 0.00 0.45 -0.22 -1.08 0.00 0.00 179.45 178.42 2qq8 h LYS 559 N 0.00 0.55 -0.55 3.15 3.64 -0.90 -2.58 116.57 119.88 2qq8 h LYS 559 Ca 0.10 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2qq8 h LYS 559 Cb 0.14 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2qq8 h LYS 559 CO -0.20 0.36 0.00 0.09 -2.27 0.00 0.00 179.45 177.43 2qq8 n ASN 560 N -4.48 3.33 -2.77 4.20 3.02 -0.88 -4.95 115.26 112.72 2qq8 n ASN 560 Ca 0.11 -1.98 -0.22 0.00 -0.03 0.00 0.00 54.58 52.47 2qq8 n ASN 560 Cb 0.34 -0.37 0.02 0.00 -0.61 0.00 0.00 39.78 39.16 2qq8 n ASN 560 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2qq8 n ASN 561 N 1.34 -5.92 -4.44 6.41 5.15 -0.73 -4.54 115.26 112.54 2qq8 n ASN 561 Ca 0.21 -0.17 -0.44 0.00 -0.60 0.00 0.00 54.58 53.57 2qq8 n ASN 561 Cb 0.54 -4.85 -0.02 0.00 -0.53 0.00 0.00 39.78 34.93 2qq8 n ASN 561 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2qq8 s LEU 562 N -6.40 5.29 0.30 1.20 1.98 -0.54 -5.01 118.68 115.50 2qq8 s LEU 562 Ca 0.18 -2.35 -0.05 0.00 -2.89 0.00 0.00 54.13 49.01 2qq8 s LEU 562 Cb -0.08 -2.37 -0.05 0.00 0.66 0.00 0.00 46.19 44.35 2qq8 s LEU 562 CO 0.22 -0.92 0.57 0.42 -1.89 0.00 0.00 176.35 174.76 2qq8 s THR 563 N 2.05 5.00 0.54 3.68 -4.23 -1.26 -4.64 115.64 116.78 2qq8 s THR 563 Ca 0.33 0.10 0.23 0.00 -1.18 0.00 0.00 61.69 61.17 2qq8 s THR 563 Cb -0.05 -3.73 0.35 0.00 1.34 0.00 0.00 72.50 70.40 2qq8 s THR 563 CO -0.08 -0.34 2.07 -0.65 -0.54 0.00 0.00 174.62 175.08 2qq8 h PRO 564 N 1.63 0.00 0.00 3.99 0.11 -1.97 -1.69 132.00 134.07 2qq8 h PRO 564 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2qq8 h PRO 564 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2qq8 h PRO 564 CO 0.66 0.00 -0.05 0.38 -0.21 0.00 0.00 178.00 178.78 2qq8 h ASP 565 N 0.00 0.00 -0.83 -2.05 2.03 -1.98 0.12 116.42 113.72 2qq8 h ASP 565 Ca 0.13 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.42 2qq8 h ASP 565 Cb 0.56 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.02 2qq8 h ASP 565 CO -0.00 0.05 0.49 0.40 -1.03 0.00 0.00 179.24 179.14 2qq8 h ILE 566 N 0.00 1.24 0.00 4.15 1.08 -1.70 -3.41 117.51 118.87 2qq8 h ILE 566 Ca -0.00 -0.54 0.00 0.00 -0.39 0.00 0.00 64.86 63.92 2qq8 h ILE 566 Cb 0.16 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 33.98 2qq8 h ILE 566 CO 0.01 0.25 -0.45 0.00 -0.69 0.00 0.00 178.15 177.27 2qq8 n TYR 567 N -4.36 0.00 0.20 1.37 0.18 -1.00 -4.81 117.16 108.74 2qq8 n TYR 567 Ca 0.09 0.00 0.07 0.00 1.88 0.00 0.00 57.90 59.94 2qq8 n TYR 567 Cb 0.08 0.00 0.40 0.00 -0.38 0.00 0.00 39.34 39.44 2qq8 n TYR 567 CO 0.00 0.00 0.00 1.25 -2.08 0.00 0.00 176.86 176.03 2qq8 h LEU 568 N 0.00 0.00 -0.01 -3.48 5.85 -0.99 -3.32 115.31 113.36 2qq8 h LEU 568 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2qq8 h LEU 568 Cb 0.45 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 2qq8 h LEU 568 CO 0.00 0.32 0.00 0.40 -0.34 0.00 0.00 178.44 178.82 2qq8 h ILE 569 N 0.00 1.22 -0.44 4.05 2.04 -1.79 -1.26 117.51 121.33 2qq8 h ILE 569 Ca -0.00 -0.64 -0.07 0.00 1.00 0.00 0.00 64.86 65.15 2qq8 h ILE 569 Cb 0.79 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 2qq8 h ILE 569 CO 0.04 0.17 -0.01 0.44 0.00 0.00 0.00 178.15 178.79 2qq8 h ASP 570 N -0.25 0.69 0.05 1.72 3.32 -1.93 -0.64 116.42 119.38 2qq8 h ASP 570 Ca 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2qq8 h ASP 570 Cb 0.27 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2qq8 h ASP 570 CO 0.00 0.77 -0.06 -0.50 -1.72 0.00 0.00 179.24 177.72 2qq8 h TRP 571 N 0.68 -0.16 0.01 4.55 4.06 -1.61 -2.59 115.95 120.89 2qq8 h TRP 571 Ca 0.13 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 60.88 2qq8 h TRP 571 Cb 0.43 0.07 0.02 0.00 -1.00 0.00 0.00 29.16 28.68 2qq8 h TRP 571 CO 0.02 -0.10 -0.81 0.82 -3.56 0.00 0.00 178.44 174.81 2qq8 h ILE 572 N -0.14 1.37 -0.40 1.49 1.08 -1.15 0.18 117.51 119.94 2qq8 h ILE 572 Ca 0.01 -2.18 -0.02 0.00 -0.39 0.00 0.00 64.86 62.29 2qq8 h ILE 572 Cb 0.14 2.54 -0.02 0.00 -3.07 0.00 0.00 36.82 36.42 2qq8 h ILE 572 CO -0.03 0.65 0.18 0.15 -0.69 0.00 0.00 178.15 178.41 2qq8 h PHE 573 N 0.09 0.58 -0.47 1.37 3.57 -1.12 -2.80 116.94 118.17 2qq8 h PHE 573 Ca -0.10 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.36 2qq8 h PHE 573 Cb 1.50 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.06 2qq8 h PHE 573 CO 0.13 0.49 0.00 0.25 -2.23 0.00 0.00 178.31 176.95 2qq8 n THR 574 N -4.68 0.63 -3.98 4.41 -2.24 -0.98 -4.92 114.28 102.51 2qq8 n THR 574 Ca 0.00 -0.65 -0.29 0.00 -2.27 0.00 0.00 64.05 60.83 2qq8 n THR 574 Cb 0.12 0.38 -0.00 0.00 -2.10 0.00 0.00 70.33 68.73 2qq8 n THR 574 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2qq8 n LEU 575 N 0.96 -2.31 0.00 3.22 4.32 -1.01 -1.58 117.00 120.61 2qq8 n LEU 575 Ca 0.17 -0.91 0.00 0.00 -0.02 0.00 0.00 56.01 55.25 2qq8 n LEU 575 Cb 0.43 -2.35 0.00 0.00 -1.62 0.00 0.00 43.42 39.88 2qq8 n LEU 575 CO 0.12 0.40 0.00 -1.22 -1.22 0.00 0.00 177.39 175.47 2qq8 n TYR 576 N -4.47 0.00 0.23 -1.77 4.01 0.02 -4.76 117.16 110.42 2qq8 n TYR 576 Ca -0.09 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.72 2qq8 n TYR 576 Cb 0.58 -0.48 0.55 0.00 -0.31 0.00 0.00 39.34 39.68 2qq8 n TYR 576 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2qq8 h SER 577 N 0.00 0.00 0.82 7.72 4.64 -1.59 -1.27 113.55 123.87 2qq8 h SER 577 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qq8 h SER 577 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qq8 h SER 577 CO 0.00 0.21 -0.35 1.17 -0.87 0.00 0.00 176.83 176.99 2qq8 n LYS 578 N -3.95 0.10 -0.00 4.77 4.81 -1.26 -4.49 118.16 118.13 2qq8 n LYS 578 Ca -0.02 0.04 0.04 0.00 -0.87 0.00 0.00 58.31 57.50 2qq8 n LYS 578 Cb 0.30 -1.57 -0.06 0.00 0.02 0.00 0.00 35.03 33.71 2qq8 n LYS 578 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2qq8 n SER 579 N -1.72 3.14 -4.20 3.14 7.64 -0.58 -5.03 113.62 116.00 2qq8 n SER 579 Ca 0.05 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.80 2qq8 n SER 579 Cb 0.37 1.35 -0.10 0.00 -1.01 0.00 0.00 64.21 64.82 2qq8 n SER 579 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2qq8 s LEU 580 N -3.60 2.49 0.79 -3.43 1.43 -0.63 -4.48 118.68 111.26 2qq8 s LEU 580 Ca -0.03 -0.96 -0.13 0.00 -1.03 0.00 0.00 54.13 51.98 2qq8 s LEU 580 Cb 0.05 -0.25 0.08 0.00 0.03 0.00 0.00 46.19 46.10 2qq8 s LEU 580 CO 0.34 -0.36 1.17 -2.16 0.23 0.00 0.00 176.35 175.58 2qq8 s PRO 581 N -3.53 1.79 0.17 1.29 0.04 -1.26 -4.67 135.00 128.82 2qq8 s PRO 581 Ca 0.12 1.63 -0.20 0.00 0.04 0.00 0.00 61.00 62.59 2qq8 s PRO 581 Cb 0.02 -1.81 0.08 0.00 0.04 0.00 0.00 34.50 32.84 2qq8 s PRO 581 CO -0.01 -2.07 1.63 1.25 0.04 0.00 0.00 177.00 177.84 2qq8 h LEU 582 N -0.89 -0.69 -0.75 -3.56 5.85 -1.95 -1.53 115.31 111.79 2qq8 h LEU 582 Ca -0.46 0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.35 2qq8 h LEU 582 Cb 1.28 0.36 -0.03 0.00 0.37 0.00 0.00 40.66 42.64 2qq8 h LEU 582 CO 0.47 -0.24 0.22 0.44 -0.34 0.00 0.00 178.44 178.99 2qq8 h ASP 583 N -0.15 1.09 -0.28 1.25 3.32 -2.00 -0.15 116.42 119.51 2qq8 h ASP 583 Ca 0.18 -0.21 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 2qq8 h ASP 583 Cb 0.43 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2qq8 h ASP 583 CO -0.46 1.02 -0.12 0.25 -1.72 0.00 0.00 179.24 178.21 2qq8 h LEU 584 N 1.11 0.58 -0.67 1.55 5.85 -1.88 -2.61 115.31 119.25 2qq8 h LEU 584 Ca 0.24 -0.40 0.08 0.00 0.84 0.00 0.00 57.88 58.64 2qq8 h LEU 584 Cb 0.33 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 2qq8 h LEU 584 CO -0.00 0.85 0.33 0.00 -0.34 0.00 0.00 178.44 179.28 2qq8 h ALA 585 N 0.75 0.90 -0.84 1.25 0.00 -0.93 -1.68 119.26 118.71 2qq8 h ALA 585 Ca 0.06 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2qq8 h ALA 585 Cb 0.63 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2qq8 h ALA 585 CO 0.04 -0.05 0.56 0.00 0.00 0.00 0.00 179.25 179.79 2qq8 h ARG 587 N 1.07 0.65 -0.52 0.00 2.43 -1.01 -1.25 114.38 115.76 2qq8 h ARG 587 Ca 0.33 -0.25 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 2qq8 h ARG 587 Cb -0.02 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2qq8 h ARG 587 CO -0.09 0.83 0.20 0.82 -1.51 0.00 0.00 179.97 180.21 2qq8 h ILE 588 N 0.57 1.22 -0.97 1.20 2.04 -0.63 -2.73 117.51 118.21 2qq8 h ILE 588 Ca 0.08 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.26 2qq8 h ILE 588 Cb 0.70 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 2qq8 h ILE 588 CO 0.05 0.26 0.64 -0.50 0.00 0.00 0.00 178.15 178.61 2qq8 h TRP 589 N 0.70 1.21 -0.12 1.37 4.06 -0.67 0.37 115.95 122.87 2qq8 h TRP 589 Ca 0.17 0.03 0.04 0.00 2.06 0.00 0.00 58.89 61.19 2qq8 h TRP 589 Cb 0.22 -0.41 -0.05 0.00 -1.00 0.00 0.00 29.16 27.92 2qq8 h TRP 589 CO 0.01 0.75 -0.15 -0.44 -3.56 0.00 0.00 178.44 175.05 2qq8 h ASP 590 N 1.30 -0.48 0.79 -3.49 3.32 -1.01 -0.30 116.42 116.55 2qq8 h ASP 590 Ca 0.36 0.09 -0.18 0.00 0.02 0.00 0.00 57.03 57.32 2qq8 h ASP 590 Cb -0.13 0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 2qq8 h ASP 590 CO -0.08 -0.20 -0.84 0.58 -1.72 0.00 0.00 179.24 176.98 2qq8 h VAL 591 N -0.20 1.58 -0.99 -1.35 2.07 -1.18 -1.86 116.25 114.33 2qq8 h VAL 591 Ca 0.09 -2.80 0.12 0.00 0.82 0.00 0.00 66.70 64.92 2qq8 h VAL 591 Cb 0.33 2.52 -0.08 0.00 -1.52 0.00 0.00 31.29 32.54 2qq8 h VAL 591 CO -0.23 0.80 0.63 0.15 0.02 0.00 0.00 177.57 178.93 2qq8 h PHE 592 N 0.01 1.11 -0.18 1.57 3.57 -0.73 0.13 116.94 122.43 2qq8 h PHE 592 Ca -0.01 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 2qq8 h PHE 592 Cb 1.47 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 2qq8 h PHE 592 CO 0.00 0.45 -0.16 0.00 -2.23 0.00 0.00 178.31 176.37 2qq8 h ARG 594 N 0.27 0.04 -0.00 0.00 2.43 -0.96 -3.41 114.38 112.74 2qq8 h ARG 594 Ca 0.05 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2qq8 h ARG 594 Cb 0.45 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2qq8 h ARG 594 CO 0.03 0.73 -0.61 -0.25 -1.51 0.00 0.00 179.97 178.36 2qq8 n ASP 595 N -4.71 0.75 0.00 -3.80 8.00 0.38 -5.10 116.55 112.07 2qq8 n ASP 595 Ca -0.09 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.53 2qq8 n ASP 595 Cb 0.37 0.94 0.00 0.00 -0.02 0.00 0.00 41.12 42.41 2qq8 n ASP 595 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qq8 n GLY 596 N 1.30 -1.77 0.35 0.44 0.00 0.14 -4.34 105.19 101.31 2qq8 n GLY 596 Ca 0.03 -1.44 0.17 0.00 0.00 0.00 0.00 46.02 44.78 2qq8 n GLY 596 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2qq8 h GLU 597 N 0.00 0.00 -0.54 1.61 4.11 -1.98 -1.12 114.58 116.67 2qq8 h GLU 597 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.51 2qq8 h GLU 597 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2qq8 h GLU 597 CO 0.00 0.00 0.36 1.05 0.07 0.00 0.00 179.01 180.49 2qq8 h GLU 598 N 0.00 0.40 0.00 1.06 4.11 -1.96 -1.05 114.58 117.14 2qq8 h GLU 598 Ca 0.19 -0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.54 2qq8 h GLU 598 Cb 0.77 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2qq8 h GLU 598 CO -0.00 0.27 -0.26 0.35 0.07 0.00 0.00 179.01 179.44 2qq8 h PHE 599 N 0.41 0.00 -0.57 2.06 3.57 -1.43 -1.10 116.94 119.89 2qq8 h PHE 599 Ca 0.24 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.66 2qq8 h PHE 599 Cb 0.41 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 2qq8 h PHE 599 CO -0.00 0.26 0.03 -0.07 -2.23 0.00 0.00 178.31 176.30 2qq8 h LEU 600 N 0.00 0.92 -0.12 0.59 3.38 -1.33 0.03 115.31 118.78 2qq8 h LEU 600 Ca -0.00 -0.23 -0.24 0.00 0.09 0.00 0.00 57.88 57.50 2qq8 h LEU 600 Cb 0.47 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.98 2qq8 h LEU 600 CO 0.03 0.96 -0.99 -0.26 0.09 0.00 0.00 178.44 178.27 2qq8 h PHE 601 N 0.89 0.67 -0.72 1.13 0.04 -1.46 -2.42 116.94 115.07 2qq8 h PHE 601 Ca 0.17 -0.37 0.06 0.00 2.80 0.00 0.00 57.97 60.62 2qq8 h PHE 601 Cb 0.48 -0.07 -0.06 0.00 2.20 0.00 0.00 35.95 38.50 2qq8 h PHE 601 CO 0.03 1.20 0.42 -0.09 -0.60 0.00 0.00 178.31 179.27 2qq8 h ARG 602 N 0.24 0.75 -0.51 1.51 2.43 -1.08 -1.61 114.38 116.10 2qq8 h ARG 602 Ca -0.09 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2qq8 h ARG 602 Cb 1.64 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 31.00 2qq8 h ARG 602 CO 0.17 0.49 0.33 1.15 -1.51 0.00 0.00 179.97 180.61 2qq8 h THR 603 N 0.77 1.14 -0.36 0.20 2.02 -0.95 0.24 112.91 115.97 2qq8 h THR 603 Ca 0.32 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 67.25 2qq8 h THR 603 Cb 0.17 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 2qq8 h THR 603 CO -0.18 0.14 0.16 0.00 0.37 0.00 0.00 175.52 176.01 2qq8 h ALA 604 N 1.17 0.43 -0.35 6.16 0.00 -0.99 -0.11 119.26 125.57 2qq8 h ALA 604 Ca 0.19 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 2qq8 h ALA 604 Cb -0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2qq8 h ALA 604 CO -0.04 -0.23 -0.07 -0.07 0.00 0.00 0.00 179.25 178.85 2qq8 h LEU 605 N 0.33 0.56 -0.90 0.00 3.38 -1.10 -1.76 115.31 115.82 2qq8 h LEU 605 Ca 0.16 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2qq8 h LEU 605 Cb 0.10 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 2qq8 h LEU 605 CO -0.13 0.68 0.51 1.23 0.09 0.00 0.00 178.44 180.81 2qq8 h GLY 606 N 0.92 1.32 0.82 0.83 0.00 -0.33 0.40 103.07 107.03 2qq8 h GLY 606 Ca 0.11 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 2qq8 h GLY 606 CO 0.02 0.56 0.01 -2.22 0.00 0.00 0.00 176.54 174.91 2qq8 h ILE 607 N 1.25 1.25 -0.76 2.60 2.04 -0.52 -0.22 117.51 123.14 2qq8 h ILE 607 Ca 0.32 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 2qq8 h ILE 607 Cb -0.00 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 2qq8 h ILE 607 CO -0.05 0.26 0.40 -0.07 0.00 0.00 0.00 178.15 178.68 2qq8 h LEU 608 N 0.11 0.97 -0.77 1.44 3.38 -1.14 -1.87 115.31 117.44 2qq8 h LEU 608 Ca 0.06 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 2qq8 h LEU 608 Cb 0.38 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2qq8 h LEU 608 CO 0.01 0.80 -0.03 0.50 0.09 0.00 0.00 178.44 179.81 2qq8 h LYS 609 N 1.06 0.91 -0.74 1.13 3.64 -0.81 -0.27 116.57 121.49 2qq8 h LYS 609 Ca 0.27 -0.28 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 2qq8 h LYS 609 Cb 0.07 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 2qq8 h LYS 609 CO -0.04 0.92 0.33 1.25 -2.27 0.00 0.00 179.45 179.64 2qq8 h LEU 610 N 0.83 0.97 -3.52 5.20 5.85 -0.43 -2.73 115.31 121.48 2qq8 h LEU 610 Ca 0.15 -0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.64 2qq8 h LEU 610 Cb 0.53 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 2qq8 h LEU 610 CO 0.03 0.83 0.11 0.49 -0.34 0.00 0.00 178.44 179.56 2qq8 n PHE 611 N -4.31 1.76 -0.26 1.25 3.72 -0.76 -4.69 117.46 114.16 2qq8 n PHE 611 Ca 0.07 -1.09 -0.05 0.00 -0.05 0.00 0.00 57.45 56.33 2qq8 n PHE 611 Cb 0.15 -0.53 0.10 0.00 -0.94 0.00 0.00 39.48 38.27 2qq8 n PHE 611 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2qq8 h GLU 612 N 2.35 1.13 -0.19 -1.08 4.81 -0.72 -0.58 114.58 120.30 2qq8 h GLU 612 Ca 0.14 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2qq8 h GLU 612 Cb 1.93 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 31.11 2qq8 h GLU 612 CO 0.50 0.90 0.05 -0.44 -0.73 0.00 0.00 179.01 179.30 2qq8 h ASP 613 N 1.11 0.28 -0.20 1.04 3.32 -1.83 -1.43 116.42 118.70 2qq8 h ASP 613 Ca 0.26 -0.21 -0.20 0.00 0.02 0.00 0.00 57.03 56.89 2qq8 h ASP 613 Cb 0.19 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.67 2qq8 h ASP 613 CO -0.02 0.42 -0.67 0.16 -1.72 0.00 0.00 179.24 177.40 2qq8 h ILE 614 N 0.12 1.28 -0.92 0.35 3.07 -1.88 -3.21 117.51 116.33 2qq8 h ILE 614 Ca 0.06 -1.87 0.07 0.00 1.55 0.00 0.00 64.86 64.67 2qq8 h ILE 614 Cb 0.24 1.88 -0.07 0.00 -0.27 0.00 0.00 36.82 38.60 2qq8 h ILE 614 CO -0.00 0.60 0.58 -0.07 -1.05 0.00 0.00 178.15 178.20 2qq8 h LEU 615 N 0.55 0.89 -1.94 0.16 3.38 -1.04 -2.13 115.31 115.18 2qq8 h LEU 615 Ca -0.03 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2qq8 h LEU 615 Cb 1.30 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2qq8 h LEU 615 CO 0.14 0.55 -0.09 0.74 0.09 0.00 0.00 178.44 179.87 2qq8 h THR 616 N 1.02 0.43 -0.17 0.22 2.02 -1.26 -0.45 112.91 114.72 2qq8 h THR 616 Ca 0.41 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2qq8 h THR 616 Cb 0.24 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 2qq8 h THR 616 CO -0.19 0.09 0.00 0.29 0.37 0.00 0.00 175.52 176.08 2qq8 n LYS 617 N -3.50 1.78 -4.11 6.66 5.02 -0.81 -4.93 118.16 118.27 2qq8 n LYS 617 Ca -0.02 -1.17 -0.28 0.00 -2.02 0.00 0.00 58.31 54.83 2qq8 n LYS 617 Cb 0.24 -1.41 -0.07 0.00 -0.02 0.00 0.00 35.03 33.77 2qq8 n LYS 617 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2qq8 s MET 618 N -1.79 2.70 0.76 1.97 -1.94 -0.18 -5.12 119.30 115.70 2qq8 s MET 618 Ca 0.33 -0.88 -0.06 0.00 -1.71 0.00 0.00 55.69 53.37 2qq8 s MET 618 Cb 0.18 -2.57 0.16 0.00 2.01 0.00 0.00 34.83 34.61 2qq8 s MET 618 CO 0.27 0.51 1.04 -0.40 -0.01 0.00 0.00 175.02 176.43 2qq8 n ASP 619 N 0.07 0.82 -0.06 3.03 5.75 -1.26 -4.81 116.55 120.09 2qq8 n ASP 619 Ca -0.09 -1.83 -0.11 0.00 -0.01 0.00 0.00 54.79 52.75 2qq8 n ASP 619 Cb 0.54 -0.73 -0.05 0.00 -1.03 0.00 0.00 41.12 39.85 2qq8 n ASP 619 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2qq8 h PHE 620 N -1.01 -1.17 -0.27 2.11 3.57 -1.98 -0.78 116.94 117.41 2qq8 h PHE 620 Ca -0.34 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.25 2qq8 h PHE 620 Cb 1.12 0.55 -0.03 0.00 2.79 0.00 0.00 35.95 40.38 2qq8 h PHE 620 CO 0.00 -0.45 0.09 0.82 -2.23 0.00 0.00 178.31 176.54 2qq8 h ILE 621 N -0.40 0.92 -0.29 1.41 2.04 -1.94 -1.20 117.51 118.06 2qq8 h ILE 621 Ca 0.11 -0.07 -0.12 0.00 1.00 0.00 0.00 64.86 65.78 2qq8 h ILE 621 Cb 0.60 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2qq8 h ILE 621 CO -0.48 0.04 -0.32 0.45 0.00 0.00 0.00 178.15 177.84 2qq8 h HIS 622 N 0.20 0.70 -0.29 1.37 3.86 -1.87 -1.40 115.15 117.72 2qq8 h HIS 622 Ca 0.12 -0.18 -0.00 0.00 -1.16 0.00 0.00 60.37 59.15 2qq8 h HIS 622 Cb 0.09 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 2qq8 h HIS 622 CO -0.14 0.85 0.17 0.52 0.86 0.00 0.00 177.93 180.19 2qq8 h MET 623 N 0.52 0.40 -0.56 2.45 2.86 -0.93 -0.76 114.93 118.91 2qq8 h MET 623 Ca 0.06 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 2qq8 h MET 623 Cb 0.80 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 2qq8 h MET 623 CO 0.07 0.33 0.28 0.00 1.06 0.00 0.00 176.91 178.65 2qq8 h ALA 624 N 1.05 0.72 -0.53 6.32 0.00 -1.03 -0.50 119.26 125.29 2qq8 h ALA 624 Ca 0.10 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2qq8 h ALA 624 Cb 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2qq8 h ALA 624 CO -0.02 0.27 0.12 1.96 0.00 0.00 0.00 179.25 181.58 2qq8 h GLN 625 N 0.75 0.86 -0.20 0.00 1.08 -1.14 -1.86 115.11 114.59 2qq8 h GLN 625 Ca 0.19 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2qq8 h GLN 625 Cb 0.09 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 2qq8 h GLN 625 CO -0.03 0.82 0.08 0.35 -0.95 0.00 0.00 178.83 179.10 2qq8 h PHE 626 N 0.75 0.31 -0.07 2.96 3.57 -0.83 -3.12 116.94 120.51 2qq8 h PHE 626 Ca 0.17 -0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.50 2qq8 h PHE 626 Cb 0.35 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2qq8 h PHE 626 CO 0.02 0.36 -0.56 -0.07 -2.23 0.00 0.00 178.31 175.83 2qq8 h LEU 627 N 0.17 0.24 0.00 0.59 3.38 -1.01 -3.20 115.31 115.49 2qq8 h LEU 627 Ca 0.07 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2qq8 h LEU 627 Cb 0.18 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2qq8 h LEU 627 CO -0.01 0.76 -0.11 0.35 0.09 0.00 0.00 178.44 179.52 2qq8 n THR 628 N -3.90 0.08 -3.45 0.22 -2.24 -0.71 -4.27 114.28 100.01 2qq8 n THR 628 Ca -0.02 -0.04 -0.29 0.00 -2.27 0.00 0.00 64.05 61.43 2qq8 n THR 628 Cb 0.59 -0.36 -0.12 0.00 -2.10 0.00 0.00 70.33 68.34 2qq8 n THR 628 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2qq8 s ARG 629 N -3.02 0.61 0.77 -0.78 3.52 -1.18 -5.09 118.95 113.78 2qq8 s ARG 629 Ca 0.13 -1.47 -0.11 0.00 -0.13 0.00 0.00 55.73 54.14 2qq8 s ARG 629 Cb 0.18 -1.31 0.05 0.00 -1.56 0.00 0.00 34.95 32.31 2qq8 s ARG 629 CO 0.57 -1.25 1.10 -0.51 -0.81 0.00 0.00 175.30 174.41 2qq8 s LEU 630 N 0.88 3.06 0.21 -0.88 1.43 -1.23 -4.78 118.68 117.37 2qq8 s LEU 630 Ca 0.21 1.86 -0.32 0.00 -1.03 0.00 0.00 54.13 54.85 2qq8 s LEU 630 Cb -0.18 -4.53 -0.14 0.00 0.03 0.00 0.00 46.19 41.37 2qq8 s LEU 630 CO -0.03 -2.04 1.33 -2.65 0.23 0.00 0.00 176.35 173.19 2qq8 n PRO 631 N -3.44 1.72 0.03 1.29 -0.02 -1.26 -4.87 135.00 128.45 2qq8 n PRO 631 Ca 0.09 0.61 0.02 0.00 -2.02 0.00 0.00 63.50 62.21 2qq8 n PRO 631 Cb 0.53 -2.22 0.37 0.00 -0.02 0.00 0.00 33.50 32.16 2qq8 n PRO 631 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2qq8 h GLU 632 N 4.06 0.46 -0.96 -0.52 3.07 -1.96 -2.63 114.58 116.10 2qq8 h GLU 632 Ca -0.44 -0.07 -0.61 0.00 -0.50 0.00 0.00 59.36 57.73 2qq8 h GLU 632 Cb 1.30 -0.08 -0.30 0.00 -0.84 0.00 0.00 28.75 28.83 2qq8 h GLU 632 CO 0.75 0.43 0.69 -0.25 -1.40 0.00 0.00 179.01 179.23 2qq8 n ASP 633 N -4.36 6.37 -4.64 1.42 8.00 -1.26 -4.62 116.55 117.46 2qq8 n ASP 633 Ca 0.02 -3.74 -0.42 0.00 0.71 0.00 0.00 54.79 51.35 2qq8 n ASP 633 Cb 0.18 -0.89 -0.03 0.00 -0.02 0.00 0.00 41.12 40.35 2qq8 n ASP 633 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qq8 s LEU 634 N -3.66 4.05 0.00 0.64 0.20 -0.99 -4.88 118.68 114.05 2qq8 s LEU 634 Ca 0.61 2.36 -0.30 0.00 0.69 0.00 0.00 54.13 57.49 2qq8 s LEU 634 Cb 0.49 -3.52 -0.05 0.00 -0.43 0.00 0.00 46.19 42.68 2qq8 s LEU 634 CO 0.02 -1.40 1.34 -2.16 -0.29 0.00 0.00 176.35 173.87 2qq8 s PRO 635 N 5.18 4.31 0.08 0.98 0.04 -1.26 -4.95 135.00 139.38 2qq8 s PRO 635 Ca 0.93 1.90 -0.18 0.00 0.04 0.00 0.00 61.00 63.69 2qq8 s PRO 635 Cb -0.39 -3.52 -0.09 0.00 0.04 0.00 0.00 34.50 30.54 2qq8 s PRO 635 CO 0.39 -0.51 1.47 0.00 0.04 0.00 0.00 177.00 178.39 2qq8 h ALA 636 N 7.58 0.34 -0.46 8.56 0.00 -1.99 -2.02 119.26 131.28 2qq8 h ALA 636 Ca -0.38 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.17 2qq8 h ALA 636 Cb 1.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2qq8 h ALA 636 CO 0.89 0.15 -0.10 1.05 0.00 0.00 0.00 179.25 181.23 2qq8 h GLU 637 N 0.22 0.82 -0.28 0.00 9.09 -1.99 -0.12 114.58 122.33 2qq8 h GLU 637 Ca 0.06 -0.28 -0.14 0.00 0.05 0.00 0.00 59.36 59.05 2qq8 h GLU 637 Cb 0.53 -0.07 -0.00 0.00 -1.65 0.00 0.00 28.75 27.56 2qq8 h GLU 637 CO 0.03 0.89 -0.38 1.49 0.05 0.00 0.00 179.01 181.09 2qq8 h GLU 638 N 0.74 0.75 -0.12 1.06 4.81 -1.96 -1.85 114.58 118.02 2qq8 h GLU 638 Ca 0.13 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2qq8 h GLU 638 Cb 0.60 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 2qq8 h GLU 638 CO 0.04 1.06 0.07 1.25 -0.73 0.00 0.00 179.01 180.70 2qq8 h LEU 639 N 0.49 0.14 -1.58 1.64 5.85 -1.16 -2.09 115.31 118.61 2qq8 h LEU 639 Ca 0.03 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2qq8 h LEU 639 Cb 0.97 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 2qq8 h LEU 639 CO 0.09 0.12 0.25 -0.26 -0.34 0.00 0.00 178.44 178.29 2qq8 h PHE 640 N 0.14 0.51 -0.77 1.25 -1.00 -0.97 0.13 116.94 116.23 2qq8 h PHE 640 Ca 0.04 0.01 -0.06 0.00 2.81 0.00 0.00 57.97 60.77 2qq8 h PHE 640 Cb 0.00 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 39.36 2qq8 h PHE 640 CO -0.06 0.33 0.27 0.00 -1.61 0.00 0.00 178.31 177.23 2qq8 h ALA 641 N 1.73 1.00 -0.28 2.45 0.00 -1.11 -0.97 119.26 122.09 2qq8 h ALA 641 Ca 0.14 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 2qq8 h ALA 641 Cb -0.04 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 2qq8 h ALA 641 CO -0.03 0.67 -0.34 1.03 0.00 0.00 0.00 179.25 180.58 2qq8 h SER 642 N 1.14 0.78 -0.62 0.00 0.87 -0.54 -3.14 113.55 112.03 2qq8 h SER 642 Ca 0.25 -0.49 -0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2qq8 h SER 642 Cb 0.28 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 2qq8 h SER 642 CO -0.01 1.12 0.37 0.40 -0.53 0.00 0.00 176.83 178.18 2qq8 h ILE 643 N 0.46 1.19 -0.90 2.23 2.04 -0.62 -2.27 117.51 119.63 2qq8 h ILE 643 Ca 0.04 -0.42 0.20 0.00 1.00 0.00 0.00 64.86 65.67 2qq8 h ILE 643 Cb 0.93 0.34 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 2qq8 h ILE 643 CO 0.08 0.19 0.60 0.00 0.00 0.00 0.00 178.15 179.02 2qq8 h ALA 644 N 1.19 2.15 0.00 1.87 0.00 -1.15 -1.74 119.26 121.58 2qq8 h ALA 644 Ca 0.22 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2qq8 h ALA 644 Cb -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2qq8 h ALA 644 CO -0.04 -0.44 0.00 0.25 0.00 0.00 0.00 179.25 179.02 2qq8 n THR 645 N -4.53 0.62 -2.53 0.00 -2.24 -0.86 -4.72 114.28 100.02 2qq8 n THR 645 Ca 0.19 -0.26 -0.43 0.00 -2.27 0.00 0.00 64.05 61.29 2qq8 n THR 645 Cb 0.67 -0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 68.25 2qq8 n THR 645 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2qq8 s ILE 646 N -3.12 4.43 -0.21 2.28 -1.09 -0.66 -5.02 121.20 117.82 2qq8 s ILE 646 Ca 0.10 1.74 -0.07 0.00 -2.23 0.00 0.00 60.65 60.19 2qq8 s ILE 646 Cb 0.12 -4.12 -0.03 0.00 -1.58 0.00 0.00 42.46 36.85 2qq8 s ILE 646 CO 0.58 -0.05 0.05 -1.10 -1.23 0.00 0.00 174.94 173.20 2qq8 s GLN 647 N 2.55 3.77 -1.22 2.79 -1.52 -1.26 -5.01 119.66 119.76 2qq8 s GLN 647 Ca 0.52 -0.43 -0.04 0.00 -1.95 0.00 0.00 55.36 53.46 2qq8 s GLN 647 Cb -0.21 -3.23 0.19 0.00 -0.22 0.00 0.00 33.01 29.53 2qq8 s GLN 647 CO 0.18 0.04 2.17 -1.33 -0.25 0.00 0.00 175.29 176.09 2qq8 n MET 648 N 4.24 4.82 -3.76 2.91 2.81 -1.26 -4.82 117.12 122.06 2qq8 n MET 648 Ca -0.16 -3.87 -0.13 0.00 -1.81 0.00 0.00 57.70 51.73 2qq8 n MET 648 Cb 0.52 -2.59 -0.11 0.00 -0.71 0.00 0.00 33.22 30.33 2qq8 n MET 648 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 2qq8 s GLN 649 N -2.11 0.37 -0.08 0.03 0.74 -1.26 -3.37 119.66 113.98 2qq8 s GLN 649 Ca 0.48 0.46 -0.04 0.00 0.05 0.00 0.00 55.36 56.32 2qq8 s GLN 649 Cb 0.18 0.17 0.04 0.00 1.10 0.00 0.00 33.01 34.50 2qq8 s GLN 649 CO -0.10 -0.05 0.19 0.45 -0.55 0.00 0.00 175.29 175.23 2qq8 s SER 650 N 0.24 -0.18 -1.43 6.67 0.15 0.06 -4.88 113.70 114.34 2qq8 s SER 650 Ca -0.01 0.40 -0.07 0.00 0.70 0.00 0.00 55.95 56.98 2qq8 s SER 650 Cb -0.03 0.29 0.04 0.00 -1.71 0.00 0.00 66.02 64.62 2qq8 s SER 650 CO -0.00 -0.15 0.83 -1.14 1.20 0.00 0.00 173.24 173.97 2qq8 n ARG 651 N 4.17 -5.16 -2.12 5.44 0.00 -1.26 -0.95 116.66 116.78 2qq8 n ARG 651 Ca -0.26 0.60 -0.10 0.00 -0.00 0.00 0.00 57.85 58.10 2qq8 n ARG 651 Cb 0.52 -5.30 -0.02 0.00 0.00 0.00 0.00 32.46 27.66 2qq8 n ARG 651 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2qq8 n ASN 652 N -2.94 -3.07 -4.47 6.15 3.02 -1.26 -4.99 115.26 107.69 2qq8 n ASN 652 Ca -0.13 0.25 -0.33 0.00 -0.03 0.00 0.00 54.58 54.34 2qq8 n ASN 652 Cb 0.60 -2.73 -0.13 0.00 -0.61 0.00 0.00 39.78 36.91 2qq8 n ASN 652 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2qq8 s LYS 653 N -4.39 2.96 0.76 3.52 1.02 -0.13 -5.12 119.74 118.36 2qq8 s LYS 653 Ca 0.00 -0.64 -0.08 0.00 0.02 0.00 0.00 55.97 55.27 2qq8 s LYS 653 Cb 0.00 -2.56 0.09 0.00 -0.52 0.00 0.00 37.83 34.84 2qq8 s LYS 653 CO 0.00 0.47 1.08 0.15 -0.92 0.00 0.00 175.35 176.13 2qq8 s LYS 654 N -0.31 1.87 0.18 1.68 1.02 -1.26 -0.76 119.74 122.16 2qq8 s LYS 654 Ca 0.03 -0.32 -0.18 0.00 0.02 0.00 0.00 55.97 55.52 2qq8 s LYS 654 Cb -0.13 -2.11 0.12 0.00 -0.52 0.00 0.00 37.83 35.20 2qq8 s LYS 654 CO 0.03 -1.49 1.64 2.35 -0.92 0.00 0.00 175.35 176.95 2qq8 h TRP 655 N -0.81 -0.44 -0.49 3.18 2.91 -1.98 -1.33 115.95 117.00 2qq8 h TRP 655 Ca -0.44 0.05 -0.05 0.00 1.13 0.00 0.00 58.89 59.58 2qq8 h TRP 655 Cb 1.30 0.26 -0.02 0.00 -0.51 0.00 0.00 29.16 30.19 2qq8 h TRP 655 CO 0.04 -0.26 0.10 0.00 -1.03 0.00 0.00 178.44 177.29 2qq8 h ALA 656 N 1.27 1.26 0.04 2.65 0.00 -1.94 -0.20 119.26 122.34 2qq8 h ALA 656 Ca 0.22 -0.20 -0.24 0.00 0.00 0.00 0.00 54.91 54.68 2qq8 h ALA 656 Cb 0.42 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2qq8 h ALA 656 CO -0.50 0.51 -1.04 -0.56 0.00 0.00 0.00 179.25 177.65 2qq8 h GLN 657 N 0.72 0.39 -0.31 0.00 3.07 -1.81 -1.26 115.11 115.92 2qq8 h GLN 657 Ca 0.16 -0.48 0.01 0.00 0.09 0.00 0.00 58.65 58.43 2qq8 h GLN 657 Cb 0.30 0.15 -0.02 0.00 0.08 0.00 0.00 27.48 27.99 2qq8 h GLN 657 CO 0.00 1.16 0.18 0.28 0.09 0.00 0.00 178.83 180.54 2qq8 h VAL 658 N 0.20 1.03 -0.09 1.86 2.07 -0.92 -1.69 116.25 118.71 2qq8 h VAL 658 Ca -0.10 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2qq8 h VAL 658 Cb 1.71 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2qq8 h VAL 658 CO 0.18 0.07 0.01 0.25 0.02 0.00 0.00 177.57 178.09 2qq8 h LEU 659 N 0.37 0.14 -0.57 2.57 5.85 -1.01 -1.98 115.31 120.69 2qq8 h LEU 659 Ca 0.12 -0.29 0.09 0.00 0.84 0.00 0.00 57.88 58.64 2qq8 h LEU 659 Cb -0.00 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 40.92 2qq8 h LEU 659 CO -0.06 0.40 0.19 0.74 -0.34 0.00 0.00 178.44 179.37 2qq8 h THR 660 N -0.12 0.76 -0.70 1.05 2.02 -1.23 -1.08 112.91 113.62 2qq8 h THR 660 Ca 0.03 -0.12 0.05 0.00 0.77 0.00 0.00 66.41 67.13 2qq8 h THR 660 Cb 0.32 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 2qq8 h THR 660 CO 0.00 0.06 0.46 0.00 0.37 0.00 0.00 175.52 176.42 2qq8 h ALA 661 N 1.40 1.68 0.00 6.16 0.00 -1.16 -1.42 119.26 125.92 2qq8 h ALA 661 Ca 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2qq8 h ALA 661 Cb 0.35 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2qq8 h ALA 661 CO -0.31 0.22 0.00 -0.07 0.00 0.00 0.00 179.25 179.10 2qq8 h LEU 662 N 0.76 0.00 0.00 0.00 3.38 -0.56 -3.24 115.31 115.66 2qq8 h LEU 662 Ca 0.29 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 2qq8 h LEU 662 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2qq8 h LEU 662 CO -0.09 0.00 -1.55 0.00 0.09 0.00 0.00 178.44 176.89 2qq8 n GLN 663 N -2.65 0.64 0.00 1.13 6.02 -0.49 -4.92 117.38 117.10 2qq8 n GLN 663 Ca 0.05 -0.02 0.14 0.00 -0.01 0.00 0.00 57.00 57.15 2qq8 n GLN 663 Cb 0.46 -1.67 0.50 0.00 1.02 0.00 0.00 30.24 30.55 2qq8 n GLN 663 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68