============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 7 1.000 48.124 -30.545 29.486 -99.200 -91.000 HIS 10 0.900 46.763 -35.932 23.920 -99.200 -91.000 TYR 45 0.840 54.169 -28.324 38.942 -99.200 -91.000 TYR 47 0.840 50.739 -25.603 28.013 -99.200 -91.000 TYR 50 0.840 51.656 -31.864 26.394 -99.200 -91.000 TYR 52 0.840 61.657 -30.360 31.890 -99.200 -91.000 TYR 57 0.840 61.887 -27.292 26.695 -99.200 -91.000 PHE 66 1.000 50.011 -36.834 28.844 -99.200 -91.000 TYR 86 0.840 36.976 -11.288 30.819 -99.200 -91.000 PHE 99 1.000 40.875 -33.580 33.492 -99.200 -91.000 PHE 100 1.000 35.454 -27.924 37.246 -99.200 -91.000 TYR 120 0.840 54.251 -32.803 41.041 -99.200 -91.000 TYR 134 0.840 38.280 -39.130 46.790 -99.200 -91.000 HIS 144 0.900 50.461 -16.874 47.432 -99.200 -91.000 HIS 145 0.900 47.912 -19.628 50.642 -99.200 -91.000 PHE 146 1.000 52.453 -20.843 59.557 -99.200 -91.000 HIS 151 0.900 52.750 -33.542 52.941 -99.200 -91.000 PHE 170 1.000 56.034 -17.085 33.528 -99.200 -91.000 TYR 172 0.840 59.906 -25.850 39.423 -99.200 -91.000 TRP 173 1.040 56.529 -25.802 35.812 -99.200 -91.000 TRP6 173 1.020 57.650 -27.740 35.080 -99.200 -91.000 TYR 174 0.840 61.185 -17.160 31.481 -99.200 -91.000 PHE 239 1.000 43.295 -10.584 31.604 -99.200 -91.000 TYR 240 0.840 43.016 -4.811 38.751 -99.200 -91.000 PHE 253 1.000 27.334 -15.521 42.292 -99.200 -91.000 TYR 263 0.840 33.774 -22.661 54.275 -99.200 -91.000 PHE 266 1.000 41.861 -22.493 58.136 -99.200 -91.000 PHE 268 1.000 41.510 -21.963 64.282 -99.200 -91.000 HIS 273 0.900 44.006 -34.834 74.405 -99.200 -91.000 TRP 289 1.040 25.442 -4.719 47.607 -99.200 -91.000 TRP6 289 1.020 25.464 -7.000 46.997 -99.200 -91.000 PHE 291 1.000 23.056 -7.533 57.495 -99.200 -91.000 HIS 294 0.900 21.687 -12.218 49.396 -99.200 -91.000 PHE 300 1.000 24.085 -12.370 54.911 -99.200 -91.000 PHE 307 1.000 28.483 -22.148 54.404 -99.200 -91.000 TRP 322 1.040 33.310 -1.390 51.357 -99.200 -91.000 TRP6 322 1.020 32.996 -2.352 53.486 -99.200 -91.000 HIS 329 0.900 35.726 1.980 54.336 -99.200 -91.000 PHE 357 1.000 28.508 -3.705 61.496 -99.200 -91.000 PHE 368 1.000 32.796 -7.605 66.902 -99.200 -91.000 TYR 383 0.840 46.465 -11.262 63.684 -99.200 -91.000 TYR 388 0.840 39.913 -23.458 70.581 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2qb8A1 ARG 5 HA 0.04 -0.07 0.20 -0.75 4.34 3.76 2qb8A1 ARG 5 HB2 0.04 -0.07 -0.01 -0.04 1.90 1.82 2qb8A1 ARG 5 HB3 0.03 0.04 -0.09 -0.04 1.80 1.74 2qb8A1 ARG 5 HG2 -0.04 0.04 0.02 -0.04 1.67 1.64 2qb8A1 ARG 5 HG3 -0.02 -0.04 0.01 -0.04 1.67 1.58 2qb8A1 ARG 5 HD2 -0.07 0.00 -0.02 -0.04 3.22 3.10 2qb8A1 ARG 5 HD3 -0.09 0.07 -0.01 -0.04 3.22 3.15 2qb8A1 LYS 6 H 0.23 0.09 0.05 -0.55 8.42 8.24 2qb8A1 LYS 6 HA 0.14 0.01 0.36 -0.75 4.32 4.08 2qb8A1 LYS 6 HB2 0.41 0.01 0.06 -0.04 1.87 2.31 2qb8A1 LYS 6 HB3 0.22 -0.06 -0.07 -0.04 1.79 1.85 2qb8A1 LYS 6 HG2 0.10 -0.01 -0.05 -0.04 1.46 1.45 2qb8A1 LYS 6 HG3 0.15 0.01 -0.01 -0.04 1.46 1.57 2qb8A1 LYS 6 HD2 0.10 0.01 -0.06 -0.04 1.69 1.70 2qb8A1 LYS 6 HD3 0.05 0.06 -0.26 -0.04 1.68 1.49 2qb8A1 LYS 6 HE2 -0.07 0.01 -0.03 -0.04 2.99 2.86 2qb8A1 LYS 6 HE3 -0.58 0.03 -0.02 -0.04 2.99 2.37 2qb8A1 THR 7 H 0.12 0.06 0.18 -0.55 8.28 8.08 2qb8A1 THR 7 HA 0.11 0.17 0.64 -0.75 4.39 4.55 2qb8A1 THR 7 HB -0.01 0.01 0.22 -0.04 4.32 4.50 2qb8A1 THR 7 HG23 0.04 0.04 0.09 -0.04 1.22 1.35 2qb8A1 VAL 8 H -0.20 0.23 0.16 -0.55 8.24 7.88 2qb8A1 VAL 8 HA -0.25 0.09 0.37 -0.75 4.13 3.58 2qb8A1 VAL 8 HB -0.16 0.10 0.17 -0.04 2.12 2.19 2qb8A1 VAL 8 HG13 -0.04 -0.01 -0.10 -0.04 0.97 0.78 2qb8A1 VAL 8 HG23 -0.78 -0.00 -0.00 -0.04 0.95 0.13 2qb8A1 PRO 9 HA 0.02 0.04 0.49 -0.51 4.44 4.48 2qb8A1 PRO 9 HB2 0.01 -0.01 -0.02 -0.04 2.28 2.22 2qb8A1 PRO 9 HB3 0.00 0.16 0.12 -0.04 2.02 2.26 2qb8A1 PRO 9 HG2 -0.01 0.08 0.08 -0.04 2.03 2.14 2qb8A1 PRO 9 HG3 -0.01 0.17 -0.14 -0.04 2.03 2.00 2qb8A1 PRO 9 HD2 -0.02 -0.04 0.07 -0.04 3.68 3.65 2qb8A1 PRO 9 HD3 -0.05 0.13 0.18 -0.04 3.65 3.87 2qb8A1 GLU 10 H 0.06 0.09 -0.36 -0.55 8.60 7.84 2qb8A1 GLU 10 HA 0.05 0.07 0.48 -0.75 4.29 4.13 2qb8A1 GLU 10 HB2 0.12 -0.01 0.12 -0.04 2.09 2.28 2qb8A1 GLU 10 HB3 0.09 0.05 0.03 -0.04 1.99 2.11 2qb8A1 GLU 10 HG2 0.04 0.05 0.03 -0.04 2.34 2.42 2qb8A1 GLU 10 HG3 0.04 -0.03 0.03 -0.04 2.34 2.34 2qb8A1 PHE 11 H 0.26 0.56 -0.17 -0.55 8.34 8.43 2qb8A1 PHE 11 HA -0.10 0.02 0.44 -0.75 4.62 4.23 2qb8A1 PHE 11 HB2 0.07 0.01 0.04 -0.04 3.15 3.22 2qb8A1 PHE 11 HB3 0.15 0.11 0.18 -0.04 3.06 3.46 2qb8A1 PHE 11 HD2 -0.49 -0.01 0.01 -0.04 7.28 6.75 2qb8A1 PHE 11 HE2 0.08 -0.02 -0.03 -0.04 7.38 7.37 2qb8A1 PHE 11 HZ 0.07 0.13 -0.07 -0.04 7.32 7.40 2qb8A1 LEU 12 H 0.06 0.50 -0.04 -0.55 8.37 8.35 2qb8A1 LEU 12 HA -0.35 0.03 0.46 -0.75 4.35 3.73 2qb8A1 LEU 12 HB2 -0.01 -0.01 0.20 -0.04 1.64 1.78 2qb8A1 LEU 12 HB3 -0.02 0.29 0.10 -0.04 1.64 1.96 2qb8A1 LEU 12 HG 0.17 0.09 0.08 -0.04 1.64 1.94 2qb8A1 LEU 12 HD13 0.05 -0.04 -0.11 -0.04 0.93 0.79 2qb8A1 LEU 12 HD23 0.08 0.00 0.05 -0.04 0.89 0.98 2qb8A1 ALA 13 H -0.03 0.61 -0.05 -0.55 8.40 8.38 2qb8A1 ALA 13 HA -0.07 0.01 0.52 -0.75 4.34 4.04 2qb8A1 ALA 13 HB3 -0.01 0.00 0.11 -0.04 1.41 1.47 2qb8A1 HIS 14 H 0.01 0.49 -0.25 -0.55 8.41 8.11 2qb8A1 HIS 14 HA -0.08 -0.02 0.41 -0.75 4.63 4.19 2qb8A1 HIS 14 HB2 -0.03 0.00 0.13 -0.04 3.26 3.31 2qb8A1 HIS 14 HB3 -0.19 0.15 0.21 -0.04 3.20 3.32 2qb8A1 HIS 14 HD2 -0.12 0.02 -0.08 -0.04 6.97 6.74 2qb8A1 HIS 14 HE1 0.07 -0.03 -0.02 -0.04 7.75 7.72 2qb8A1 LEU 15 H -0.35 0.54 -0.05 -0.55 8.37 7.96 2qb8A1 LEU 15 HA -0.54 0.01 0.45 -0.75 4.35 3.52 2qb8A1 LEU 15 HB2 -0.22 0.16 0.19 -0.04 1.64 1.74 2qb8A1 LEU 15 HB3 -0.17 -0.05 -0.05 -0.04 1.64 1.32 2qb8A1 LEU 15 HG -1.03 0.09 0.03 -0.04 1.64 0.69 2qb8A1 LEU 15 HD13 -0.44 -0.01 -0.00 -0.04 0.93 0.43 2qb8A1 LEU 15 HD23 -0.65 -0.02 -0.03 -0.04 0.89 0.15 2qb8A1 LYS 16 H -0.09 0.49 -0.13 -0.55 8.42 8.14 2qb8A1 LYS 16 HA -0.01 -0.01 0.41 -0.75 4.32 3.95 2qb8A1 LYS 16 HB2 -0.11 0.10 0.18 -0.04 1.87 1.99 2qb8A1 LYS 16 HB3 -0.12 -0.09 0.04 -0.04 1.79 1.58 2qb8A1 LYS 16 HG2 -0.26 0.08 0.05 -0.04 1.46 1.28 2qb8A1 LYS 16 HG3 -0.24 -0.06 0.09 -0.04 1.46 1.21 2qb8A1 LYS 16 HD2 -0.27 -0.04 0.06 -0.04 1.69 1.40 2qb8A1 LYS 16 HD3 -0.35 -0.06 0.01 -0.04 1.68 1.24 2qb8A1 LYS 16 HE2 -2.10 -0.06 -0.33 -0.04 2.99 0.46 2qb8A1 LYS 16 HE3 -0.58 0.04 -0.30 -0.04 2.99 2.10 2qb8A1 SER 17 H -0.15 0.34 -0.39 -0.55 8.46 7.70 2qb8A1 SER 17 HA -0.07 -0.01 0.46 -0.75 4.49 4.11 2qb8A1 SER 17 HB2 -0.05 -0.14 0.09 -0.04 3.95 3.82 2qb8A1 SER 17 HB3 -0.06 0.05 0.09 -0.04 3.93 3.96 2qb8A1 LEU 18 H -0.22 0.37 -0.34 -0.55 8.37 7.63 2qb8A1 LEU 18 HA -0.13 0.03 0.51 -0.75 4.35 4.01 2qb8A1 LEU 18 HB2 -0.28 0.10 0.06 -0.04 1.64 1.47 2qb8A1 LEU 18 HB3 -0.16 -0.02 -0.02 -0.04 1.64 1.40 2qb8A1 LEU 18 HG -0.69 0.26 0.02 -0.04 1.64 1.20 2qb8A1 LEU 18 HD13 -0.63 -0.02 -0.09 -0.04 0.93 0.15 2qb8A1 LEU 18 HD23 -0.15 -0.03 -0.02 -0.04 0.89 0.65 2qb8A1 PRO 19 HA -0.02 0.14 0.68 -0.51 4.44 4.73 2qb8A1 PRO 19 HB2 -0.00 -0.17 0.01 -0.04 2.28 2.08 2qb8A1 PRO 19 HB3 -0.01 0.08 0.14 -0.04 2.02 2.19 2qb8A1 PRO 19 HG2 0.00 -0.05 0.08 -0.04 2.03 2.02 2qb8A1 PRO 19 HG3 -0.00 0.07 0.09 -0.04 2.03 2.14 2qb8A1 PRO 19 HD2 -0.04 0.09 0.24 -0.04 3.68 3.93 2qb8A1 PRO 19 HD3 -0.03 0.22 0.21 -0.04 3.65 4.00 2qb8A1 ILE 20 H -0.01 0.19 0.16 -0.55 8.25 8.04 2qb8A1 ILE 20 HA -0.02 0.16 0.31 -0.75 4.18 3.87 2qb8A1 ILE 20 HB 0.01 0.02 0.09 -0.04 1.89 1.97 2qb8A1 ILE 20 HG12 0.01 0.03 0.01 -0.04 1.49 1.49 2qb8A1 ILE 20 HG13 0.00 0.01 0.07 -0.04 1.21 1.26 2qb8A1 ILE 20 HG23 0.01 0.01 -0.05 -0.04 0.93 0.85 2qb8A1 ILE 20 HD13 0.02 0.03 -0.05 -0.04 0.88 0.84 2qb8A1 SER 21 H 0.01 0.07 -0.21 -0.55 8.46 7.79 2qb8A1 SER 21 HA 0.03 0.04 0.42 -0.75 4.49 4.23 2qb8A1 SER 21 HB2 0.02 0.00 0.08 -0.04 3.95 4.01 2qb8A1 SER 21 HB3 0.02 -0.02 0.08 -0.04 3.93 3.97 2qb8A1 LYS 22 H 0.02 0.29 -0.38 -0.55 8.42 7.79 2qb8A1 LYS 22 HA 0.08 0.15 0.86 -0.75 4.32 4.66 2qb8A1 LYS 22 HB2 0.00 0.12 0.08 -0.04 1.87 2.03 2qb8A1 LYS 22 HB3 0.09 0.01 0.07 -0.04 1.79 1.91 2qb8A1 LYS 22 HG2 0.04 -0.11 -0.08 -0.04 1.46 1.26 2qb8A1 LYS 22 HG3 0.03 -0.01 0.04 -0.04 1.46 1.48 2qb8A1 LYS 22 HD2 0.10 0.08 0.11 -0.04 1.69 1.93 2qb8A1 LYS 22 HD3 0.06 -0.05 0.00 -0.04 1.68 1.65 2qb8A1 LYS 22 HE2 0.06 -0.04 0.02 -0.04 2.99 2.99 2qb8A1 LYS 22 HE3 0.10 0.03 0.03 -0.04 2.99 3.11 2qb8A1 ILE 23 H 0.02 0.17 -0.19 -0.55 8.25 7.70 2qb8A1 ILE 23 HA 0.19 0.06 0.77 -0.75 4.18 4.45 2qb8A1 ILE 23 HB -0.02 0.02 0.16 -0.04 1.89 2.02 2qb8A1 ILE 23 HG12 -0.30 -0.03 -0.03 -0.04 1.49 1.09 2qb8A1 ILE 23 HG13 -0.12 0.06 -0.12 -0.04 1.21 0.99 2qb8A1 ILE 23 HG23 -0.02 -0.04 -0.12 -0.04 0.93 0.71 2qb8A1 ILE 23 HD13 -0.14 0.04 -0.07 -0.04 0.88 0.66 2qb8A1 ALA 24 H 0.05 0.47 0.17 -0.55 8.40 8.54 2qb8A1 ALA 24 HA 0.07 0.17 0.75 -0.75 4.34 4.58 2qb8A1 ALA 24 HB3 0.04 -0.06 -0.07 -0.04 1.41 1.28 2qb8A1 SER 25 H 0.06 0.63 0.29 -0.55 8.46 8.90 2qb8A1 SER 25 HA 0.05 0.13 0.67 -0.75 4.49 4.59 2qb8A1 SER 25 HB2 0.07 0.15 -0.09 -0.04 3.95 4.03 2qb8A1 SER 25 HB3 0.06 -0.02 0.09 -0.04 3.93 4.02 2qb8A1 ASN 26 H 0.04 0.19 0.10 -0.55 8.53 8.31 2qb8A1 ASN 26 HA 0.03 0.02 0.31 -0.75 4.76 4.36 2qb8A1 ASN 26 HB2 0.03 -0.02 -0.01 -0.04 2.88 2.84 2qb8A1 ASN 26 HB3 0.03 0.12 0.07 -0.04 2.79 2.96 2qb8A1 ASN 26 HD21 0.02 -0.02 0.03 -0.04 7.03 7.02 2qb8A1 ASN 26 HD22 0.02 0.02 0.05 -0.04 7.74 7.79 2qb8A1 ASP 27 H 0.03 0.05 -0.30 -0.55 8.40 7.64 2qb8A1 ASP 27 HA 0.03 -0.03 0.18 -0.75 4.63 4.05 2qb8A1 ASP 27 HB2 0.02 0.19 -0.07 -0.04 2.71 2.81 2qb8A1 ASP 27 HB3 0.02 0.04 0.09 -0.04 2.70 2.81 2qb8A1 VAL 28 H 0.04 0.32 -0.31 -0.55 8.24 7.73 2qb8A1 VAL 28 HA 0.03 0.23 0.80 -0.75 4.13 4.42 2qb8A1 VAL 28 HB 0.04 0.03 0.12 -0.04 2.12 2.28 2qb8A1 VAL 28 HG13 0.03 -0.02 -0.18 -0.04 0.97 0.76 2qb8A1 VAL 28 HG23 0.02 0.03 -0.08 -0.04 0.95 0.88 2qb8A1 LEU 29 H 0.03 0.74 0.24 -0.55 8.37 8.83 2qb8A1 LEU 29 HA 0.05 0.12 0.85 -0.75 4.35 4.62 2qb8A1 LEU 29 HB2 0.03 -0.05 -0.02 -0.04 1.64 1.56 2qb8A1 LEU 29 HB3 0.03 0.04 0.09 -0.04 1.64 1.75 2qb8A1 LEU 29 HG 0.01 -0.01 -0.30 -0.04 1.64 1.31 2qb8A1 LEU 29 HD13 0.01 0.00 -0.07 -0.04 0.93 0.83 2qb8A1 LEU 29 HD23 0.01 -0.01 -0.13 -0.04 0.89 0.73 2qb8A1 THR 30 H 0.07 0.31 0.12 -0.55 8.28 8.24 2qb8A1 THR 30 HA 0.06 0.29 1.07 -0.75 4.39 5.05 2qb8A1 THR 30 HB 0.15 0.20 0.12 -0.04 4.32 4.75 2qb8A1 THR 30 HG23 0.26 -0.02 -0.15 -0.04 1.22 1.27 2qb8A1 ILE 31 H 0.05 0.66 0.42 -0.55 8.25 8.83 2qb8A1 ILE 31 HA 0.02 0.12 0.98 -0.75 4.18 4.55 2qb8A1 ILE 31 HB -0.02 0.05 0.07 -0.04 1.89 1.94 2qb8A1 ILE 31 HG12 0.01 0.17 -0.08 -0.04 1.49 1.54 2qb8A1 ILE 31 HG13 0.01 -0.11 -0.24 -0.04 1.21 0.83 2qb8A1 ILE 31 HG23 -0.03 -0.01 -0.22 -0.04 0.93 0.64 2qb8A1 ILE 31 HD13 -0.00 -0.02 -0.18 -0.04 0.88 0.63 2qb8A1 CYS 32 H 0.01 0.68 0.22 -0.55 8.50 8.86 2qb8A1 CYS 32 HA 0.05 0.21 0.80 -0.75 4.58 4.89 2qb8A1 CYS 32 HB2 -0.02 0.04 -0.14 -0.04 2.97 2.81 2qb8A1 CYS 32 HB3 0.04 0.01 0.01 -0.04 2.97 2.99 2qb8A1 VAL 33 H 0.01 0.62 0.29 -0.55 8.24 8.60 2qb8A1 VAL 33 HA 0.01 0.23 1.14 -0.75 4.13 4.76 2qb8A1 VAL 33 HB -0.00 -0.02 -0.15 -0.04 2.12 1.91 2qb8A1 VAL 33 HG13 -0.00 0.03 -0.02 -0.04 0.97 0.94 2qb8A1 VAL 33 HG23 0.01 0.06 -0.09 -0.04 0.95 0.89 2qb8A1 GLY 34 H 0.03 0.23 0.24 -0.55 8.43 8.37 2qb8A1 GLY 34 HA2 0.05 0.47 0.84 -0.51 4.01 4.86 2qb8A1 GLY 34 HA3 0.05 -0.12 0.48 -0.51 4.01 3.92 2qb8A1 ASN 35 H 0.06 -0.04 0.22 -0.55 8.53 8.22 2qb8A1 ASN 35 HA 0.01 0.28 0.81 -0.75 4.76 5.10 2qb8A1 ASN 35 HB2 -0.04 -0.05 0.26 -0.04 2.88 3.01 2qb8A1 ASN 35 HB3 -0.00 0.23 0.09 -0.04 2.79 3.07 2qb8A1 ASN 35 HD21 0.12 -0.11 0.12 -0.04 7.03 7.12 2qb8A1 ASN 35 HD22 0.08 0.63 0.27 -0.04 7.74 8.68 2qb8A1 GLU 36 H -0.03 0.15 0.25 -0.55 8.60 8.43 2qb8A1 GLU 36 HA 0.02 0.20 0.46 -0.75 4.29 4.22 2qb8A1 GLU 36 HB2 0.01 0.10 0.21 -0.04 2.09 2.38 2qb8A1 GLU 36 HB3 -0.03 -0.11 0.25 -0.04 1.99 2.06 2qb8A1 GLU 36 HG2 -0.08 -0.17 0.21 -0.04 2.34 2.26 2qb8A1 GLU 36 HG3 -0.05 0.33 0.06 -0.04 2.34 2.63 2qb8A1 SER 37 H 0.02 -0.11 -0.29 -0.55 8.46 7.53 2qb8A1 SER 37 HA 0.08 0.30 0.73 -0.75 4.49 4.85 2qb8A1 SER 37 HB2 0.07 0.03 0.05 -0.04 3.95 4.07 2qb8A1 SER 37 HB3 0.03 0.02 0.01 -0.04 3.93 3.95 2qb8A1 ALA 38 H 0.06 0.26 -0.18 -0.55 8.40 7.99 2qb8A1 ALA 38 HA 0.07 -0.12 0.31 -0.75 4.34 3.85 2qb8A1 ALA 38 HB3 0.09 0.05 -0.13 -0.04 1.41 1.38 2qb8A1 ASP 39 H 0.09 -0.13 -0.14 -0.55 8.40 7.66 2qb8A1 ASP 39 HA 0.08 0.37 0.73 -0.75 4.63 5.06 2qb8A1 ASP 39 HB2 0.08 -0.04 0.21 -0.04 2.71 2.93 2qb8A1 ASP 39 HB3 0.09 0.20 0.07 -0.04 2.70 3.02 2qb8A1 MET 40 H 0.07 0.25 0.16 -0.55 8.47 8.40 2qb8A1 MET 40 HA 0.07 0.14 0.41 -0.75 4.52 4.38 2qb8A1 MET 40 HB2 0.05 0.09 0.11 -0.04 2.15 2.35 2qb8A1 MET 40 HB3 0.06 -0.04 0.11 -0.04 2.03 2.12 2qb8A1 MET 40 HG2 0.04 0.15 -0.48 -0.04 2.63 2.29 2qb8A1 MET 40 HG3 0.06 -0.09 -0.23 -0.04 2.56 2.26 2qb8A1 MET 40 HE3 0.03 0.06 -0.21 -0.04 2.10 1.94 2qb8A1 ASP 41 H 0.08 0.15 -0.09 -0.55 8.40 8.00 2qb8A1 ASP 41 HA 0.06 0.03 0.40 -0.75 4.63 4.37 2qb8A1 ASP 41 HB2 0.09 0.12 0.16 -0.04 2.71 3.03 2qb8A1 ASP 41 HB3 0.13 0.04 0.09 -0.04 2.70 2.92 2qb8A1 SER 42 H 0.10 0.09 -0.21 -0.55 8.46 7.89 2qb8A1 SER 42 HA 0.09 0.05 0.37 -0.75 4.49 4.25 2qb8A1 SER 42 HB2 0.08 0.01 0.16 -0.04 3.95 4.16 2qb8A1 SER 42 HB3 0.07 0.11 0.07 -0.04 3.93 4.13 2qb8A1 ILE 43 H 0.07 0.48 -0.24 -0.55 8.25 8.02 2qb8A1 ILE 43 HA 0.05 0.09 0.49 -0.75 4.18 4.06 2qb8A1 ILE 43 HB 0.07 0.05 0.09 -0.04 1.89 2.05 2qb8A1 ILE 43 HG12 0.05 -0.04 -0.03 -0.04 1.49 1.43 2qb8A1 ILE 43 HG13 0.07 -0.07 -0.11 -0.04 1.21 1.06 2qb8A1 ILE 43 HG23 0.05 0.01 -0.15 -0.04 0.93 0.80 2qb8A1 ILE 43 HD13 0.10 0.02 -0.09 -0.04 0.88 0.86 2qb8A1 ALA 44 H 0.07 0.70 0.06 -0.55 8.40 8.68 2qb8A1 ALA 44 HA 0.07 0.07 0.38 -0.75 4.34 4.11 2qb8A1 ALA 44 HB3 0.07 -0.02 0.01 -0.04 1.41 1.43 2qb8A1 SER 45 H 0.08 0.60 -0.20 -0.55 8.46 8.40 2qb8A1 SER 45 HA 0.14 -0.01 0.31 -0.75 4.49 4.17 2qb8A1 SER 45 HB2 0.09 0.10 0.04 -0.04 3.95 4.14 2qb8A1 SER 45 HB3 0.12 -0.00 -0.11 -0.04 3.93 3.90 2qb8A1 ALA 46 H 0.09 0.42 -0.27 -0.55 8.40 8.09 2qb8A1 ALA 46 HA 0.10 0.02 0.26 -0.75 4.34 3.97 2qb8A1 ALA 46 HB3 0.05 0.03 0.05 -0.04 1.41 1.50 2qb8A1 ILE 47 H 0.09 0.48 -0.14 -0.55 8.25 8.13 2qb8A1 ILE 47 HA 0.14 0.09 0.42 -0.75 4.18 4.07 2qb8A1 ILE 47 HB 0.07 0.04 0.12 -0.04 1.89 2.08 2qb8A1 ILE 47 HG12 0.08 0.03 -0.00 -0.04 1.49 1.56 2qb8A1 ILE 47 HG13 0.06 -0.01 0.02 -0.04 1.21 1.24 2qb8A1 ILE 47 HG23 0.08 -0.00 -0.12 -0.04 0.93 0.85 2qb8A1 ILE 47 HD13 0.04 -0.02 -0.10 -0.04 0.88 0.76 2qb8A1 THR 48 H 0.11 0.50 -0.23 -0.55 8.28 8.12 2qb8A1 THR 48 HA 0.09 0.01 0.32 -0.75 4.39 4.05 2qb8A1 THR 48 HB 0.16 0.05 0.11 -0.04 4.32 4.60 2qb8A1 THR 48 HG23 0.19 -0.02 -0.17 -0.04 1.22 1.18 2qb8A1 TYR 49 H 0.22 0.55 -0.19 -0.55 8.29 8.33 2qb8A1 TYR 49 HA -0.05 -0.01 0.31 -0.75 4.56 4.06 2qb8A1 TYR 49 HB2 0.15 0.03 0.06 -0.04 3.06 3.26 2qb8A1 TYR 49 HB3 0.06 0.07 0.03 -0.04 2.98 3.10 2qb8A1 TYR 49 HD2 0.08 -0.01 -0.25 -0.04 7.15 6.93 2qb8A1 TYR 49 HE2 -0.26 0.02 -0.11 -0.04 6.85 6.45 2qb8A1 SER 50 H 0.16 0.48 -0.20 -0.55 8.46 8.35 2qb8A1 SER 50 HA 0.11 0.02 0.32 -0.75 4.49 4.18 2qb8A1 SER 50 HB2 0.23 0.03 0.18 -0.04 3.95 4.35 2qb8A1 SER 50 HB3 0.36 0.17 0.08 -0.04 3.93 4.49 2qb8A1 TYR 51 H 0.01 0.56 -0.11 -0.55 8.29 8.20 2qb8A1 TYR 51 HA -1.18 0.04 0.44 -0.75 4.56 3.11 2qb8A1 TYR 51 HB2 -0.19 0.02 0.10 -0.04 3.06 2.94 2qb8A1 TYR 51 HB3 -0.19 0.02 0.13 -0.04 2.98 2.90 2qb8A1 TYR 51 HD2 -0.32 -0.00 -0.09 -0.04 7.15 6.70 2qb8A1 TYR 51 HE2 0.02 0.07 -0.21 -0.04 6.85 6.70 2qb8A1 CYS 52 H -0.44 0.71 -0.06 -0.55 8.50 8.15 2qb8A1 CYS 52 HA -0.65 -0.03 0.38 -0.75 4.58 3.52 2qb8A1 CYS 52 HB2 -1.72 0.12 0.09 -0.04 2.97 1.42 2qb8A1 CYS 52 HB3 -1.25 -0.04 -0.03 -0.04 2.97 1.61 2qb8A1 GLN 53 H -0.95 0.54 -0.24 -0.55 8.47 7.27 2qb8A1 GLN 53 HA -0.81 -0.00 0.40 -0.75 4.36 3.19 2qb8A1 GLN 53 HB2 -0.31 -0.02 0.06 -0.04 2.15 1.84 2qb8A1 GLN 53 HB3 -0.17 0.12 0.11 -0.04 2.02 2.04 2qb8A1 GLN 53 HG2 0.09 0.04 -0.11 -0.04 2.40 2.38 2qb8A1 GLN 53 HG3 0.03 0.03 -0.23 -0.04 2.39 2.18 2qb8A1 GLN 53 HE21 0.36 -0.01 -0.05 -0.04 6.97 7.22 2qb8A1 GLN 53 HE22 0.26 0.04 -0.03 -0.04 7.69 7.91 2qb8A1 TYR 54 H -0.29 0.45 -0.16 -0.55 8.29 7.74 2qb8A1 TYR 54 HA -0.17 0.08 0.43 -0.75 4.56 4.14 2qb8A1 TYR 54 HB2 -0.01 -0.01 0.13 -0.04 3.06 3.13 2qb8A1 TYR 54 HB3 -0.73 0.17 0.24 -0.04 2.98 2.62 2qb8A1 TYR 54 HD2 -0.23 0.04 -0.00 -0.04 7.15 6.91 2qb8A1 TYR 54 HE2 0.17 -0.03 -0.02 -0.04 6.85 6.94 2qb8A1 ILE 55 H -0.52 0.46 -0.12 -0.55 8.25 7.52 2qb8A1 ILE 55 HA -0.54 0.03 0.38 -0.75 4.18 3.29 2qb8A1 ILE 55 HB -0.45 0.06 0.12 -0.04 1.89 1.58 2qb8A1 ILE 55 HG12 -0.90 0.20 0.05 -0.04 1.49 0.80 2qb8A1 ILE 55 HG13 -0.73 -0.10 -0.05 -0.04 1.21 0.30 2qb8A1 ILE 55 HG23 -0.12 -0.03 -0.09 -0.04 0.93 0.64 2qb8A1 ILE 55 HD13 -0.24 0.02 -0.05 -0.04 0.88 0.58 2qb8A1 TYR 56 H -0.26 0.59 -0.12 -0.55 8.29 7.96 2qb8A1 TYR 56 HA -0.14 -0.10 0.36 -0.75 4.56 3.92 2qb8A1 TYR 56 HB2 -0.19 -0.03 0.06 -0.04 3.06 2.86 2qb8A1 TYR 56 HB3 -0.16 0.14 0.15 -0.04 2.98 3.07 2qb8A1 TYR 56 HD2 -0.07 0.02 -0.14 -0.04 7.15 6.92 2qb8A1 TYR 56 HE2 0.04 0.09 -0.08 -0.04 6.85 6.86 2qb8A1 ASN 57 H -0.07 0.55 -0.19 -0.55 8.53 8.28 2qb8A1 ASN 57 HA -0.16 0.06 0.36 -0.75 4.76 4.26 2qb8A1 ASN 57 HB2 -0.13 0.03 0.11 -0.04 2.88 2.84 2qb8A1 ASN 57 HB3 -0.10 0.05 0.04 -0.04 2.79 2.74 2qb8A1 ASN 57 HD21 0.09 -0.19 -0.16 -0.04 7.03 6.72 2qb8A1 ASN 57 HD22 -0.04 0.13 -0.24 -0.04 7.74 7.54 2qb8A1 GLU 58 H -0.25 0.30 -0.27 -0.55 8.60 7.84 2qb8A1 GLU 58 HA -0.16 0.12 0.75 -0.75 4.29 4.24 2qb8A1 GLU 58 HB2 -0.19 -0.10 0.13 -0.04 2.09 1.88 2qb8A1 GLU 58 HB3 -0.33 0.02 0.08 -0.04 1.99 1.73 2qb8A1 GLU 58 HG2 -0.47 0.20 0.18 -0.04 2.34 2.21 2qb8A1 GLU 58 HG3 -0.23 -0.04 -0.18 -0.04 2.34 1.85 2qb8A1 GLY 59 H -0.12 0.30 -0.22 -0.55 8.43 7.85 2qb8A1 GLY 59 HA2 -0.22 0.10 0.61 -0.51 4.01 3.98 2qb8A1 GLY 59 HA3 -0.24 -0.06 0.36 -0.51 4.01 3.56 2qb8A1 THR 60 H -0.70 0.10 0.15 -0.55 8.28 7.29 2qb8A1 THR 60 HA -0.24 0.21 0.39 -0.75 4.39 4.00 2qb8A1 THR 60 HB -0.20 0.01 0.15 -0.04 4.32 4.23 2qb8A1 THR 60 HG23 -0.18 0.01 -0.02 -0.04 1.22 0.98 2qb8A1 TYR 61 H -0.89 0.09 -0.10 -0.55 8.29 6.84 2qb8A1 TYR 61 HA -0.07 0.08 0.71 -0.75 4.56 4.53 2qb8A1 TYR 61 HB2 -0.00 0.11 -0.00 -0.04 3.06 3.12 2qb8A1 TYR 61 HB3 0.03 0.06 0.18 -0.04 2.98 3.21 2qb8A1 TYR 61 HD2 -0.17 0.16 -0.01 -0.04 7.15 7.09 2qb8A1 TYR 61 HE2 -0.11 0.14 -0.01 -0.04 6.85 6.82 2qb8A1 SER 62 H -0.24 0.20 -0.25 -0.55 8.46 7.61 2qb8A1 SER 62 HA -0.18 0.14 0.75 -0.75 4.49 4.44 2qb8A1 SER 62 HB2 -1.14 -0.04 -0.04 -0.04 3.95 2.68 2qb8A1 SER 62 HB3 -0.34 0.13 0.15 -0.04 3.93 3.83 2qb8A1 GLU 63 H -0.11 0.23 -0.57 -0.55 8.60 7.61 2qb8A1 GLU 63 HA -0.08 0.12 0.74 -0.75 4.29 4.32 2qb8A1 GLU 63 HB2 -0.08 0.09 0.07 -0.04 2.09 2.13 2qb8A1 GLU 63 HB3 -0.07 -0.07 -0.01 -0.04 1.99 1.81 2qb8A1 GLU 63 HG2 -0.14 0.10 -0.08 -0.04 2.34 2.18 2qb8A1 GLU 63 HG3 -0.13 0.03 0.09 -0.04 2.34 2.29 2qb8A1 GLU 64 H -0.04 0.14 0.07 -0.55 8.60 8.22 2qb8A1 GLU 64 HA -0.02 -0.04 0.29 -0.75 4.29 3.77 2qb8A1 GLU 64 HB2 -0.02 0.25 0.09 -0.04 2.09 2.37 2qb8A1 GLU 64 HB3 -0.01 -0.04 0.19 -0.04 1.99 2.09 2qb8A1 GLU 64 HG2 -0.03 -0.06 -0.10 -0.04 2.34 2.12 2qb8A1 GLU 64 HG3 -0.02 0.01 -0.06 -0.04 2.34 2.23 2qb8A1 LYS 65 H -0.03 0.25 -1.05 -0.55 8.42 7.03 2qb8A1 LYS 65 HA 0.01 0.00 0.31 -0.75 4.32 3.89 2qb8A1 LYS 65 HB2 0.05 0.05 0.10 -0.04 1.87 2.03 2qb8A1 LYS 65 HB3 0.05 -0.05 0.06 -0.04 1.79 1.81 2qb8A1 LYS 65 HG2 0.04 -0.06 -0.04 -0.04 1.46 1.35 2qb8A1 LYS 65 HG3 0.01 0.10 -0.45 -0.04 1.46 1.09 2qb8A1 LYS 65 HD2 0.01 0.00 -0.10 -0.04 1.69 1.56 2qb8A1 LYS 65 HD3 -0.01 -0.03 -0.28 -0.04 1.68 1.32 2qb8A1 LYS 65 HE2 0.09 0.01 0.11 -0.04 2.99 3.17 2qb8A1 LYS 65 HE3 0.10 -0.11 0.01 -0.04 2.99 2.95 2qb8A1 LYS 66 H 0.01 -0.01 -0.11 -0.55 8.42 7.76 2qb8A1 LYS 66 HA -0.04 0.36 0.38 -0.75 4.32 4.27 2qb8A1 LYS 66 HB2 -0.02 -0.09 0.03 -0.04 1.87 1.76 2qb8A1 LYS 66 HB3 -0.00 -0.08 0.16 -0.04 1.79 1.83 2qb8A1 LYS 66 HG2 -0.03 0.22 0.14 -0.04 1.46 1.75 2qb8A1 LYS 66 HG3 -0.04 0.02 0.06 -0.04 1.46 1.46 2qb8A1 LYS 66 HD2 -0.01 -0.05 0.05 -0.04 1.69 1.64 2qb8A1 LYS 66 HD3 -0.01 -0.06 0.08 -0.04 1.68 1.65 2qb8A1 LYS 66 HE2 -0.01 -0.02 0.03 -0.04 2.99 2.94 2qb8A1 LYS 66 HE3 -0.03 0.11 0.04 -0.04 2.99 3.07 2qb8A1 LYS 67 H -0.00 0.02 0.13 -0.55 8.42 8.02 2qb8A1 LYS 67 HA 0.02 -0.03 0.28 -0.75 4.32 3.83 2qb8A1 LYS 67 HB2 0.06 0.22 0.20 -0.04 1.87 2.31 2qb8A1 LYS 67 HB3 0.04 -0.13 0.16 -0.04 1.79 1.83 2qb8A1 LYS 67 HG2 0.03 -0.02 -0.06 -0.04 1.46 1.36 2qb8A1 LYS 67 HG3 0.03 -0.18 -0.50 -0.04 1.46 0.76 2qb8A1 LYS 67 HD2 0.04 -0.05 -0.11 -0.04 1.69 1.52 2qb8A1 LYS 67 HD3 0.06 0.13 -0.14 -0.04 1.68 1.69 2qb8A1 LYS 67 HE2 0.06 0.02 -0.02 -0.04 2.99 3.02 2qb8A1 LYS 67 HE3 0.04 -0.03 -0.02 -0.04 2.99 2.94 2qb8A1 GLY 68 H 0.05 -0.03 0.10 -0.55 8.43 8.00 2qb8A1 GLY 68 HA2 0.09 -0.04 0.30 -0.51 4.01 3.86 2qb8A1 GLY 68 HA3 0.05 0.21 0.25 -0.51 4.01 4.01 2qb8A1 SER 69 H 0.08 -0.02 0.11 -0.55 8.46 8.08 2qb8A1 SER 69 HA -0.01 0.11 0.51 -0.75 4.49 4.34 2qb8A1 SER 69 HB2 0.12 0.23 0.12 -0.04 3.95 4.38 2qb8A1 SER 69 HB3 0.08 -0.13 0.08 -0.04 3.93 3.91 2qb8A1 PHE 70 H 0.10 0.17 0.17 -0.55 8.34 8.23 2qb8A1 PHE 70 HA 0.17 0.02 0.53 -0.75 4.62 4.59 2qb8A1 PHE 70 HB2 0.06 0.11 0.18 -0.04 3.15 3.46 2qb8A1 PHE 70 HB3 0.06 -0.03 -0.06 -0.04 3.06 2.99 2qb8A1 PHE 70 HD2 0.20 0.09 0.12 -0.04 7.28 7.65 2qb8A1 PHE 70 HE2 0.20 -0.02 0.01 -0.04 7.38 7.53 2qb8A1 PHE 70 HZ 0.41 -0.04 -0.02 -0.04 7.32 7.63 2qb8A1 ILE 71 H 0.33 0.18 0.13 -0.55 8.25 8.34 2qb8A1 ILE 71 HA 0.15 0.34 0.70 -0.75 4.18 4.61 2qb8A1 ILE 71 HB 0.16 -0.05 0.05 -0.04 1.89 2.01 2qb8A1 ILE 71 HG12 0.23 -0.00 -0.21 -0.04 1.49 1.46 2qb8A1 ILE 71 HG13 0.17 0.15 -0.42 -0.04 1.21 1.08 2qb8A1 ILE 71 HG23 0.11 -0.03 -0.51 -0.04 0.93 0.45 2qb8A1 ILE 71 HD13 0.02 -0.02 -0.14 -0.04 0.88 0.69 2qb8A1 VAL 72 H -0.01 0.58 0.26 -0.55 8.24 8.52 2qb8A1 VAL 72 HA -0.27 0.16 0.62 -0.75 4.13 3.88 2qb8A1 VAL 72 HB -0.22 -0.09 0.09 -0.04 2.12 1.86 2qb8A1 VAL 72 HG13 -1.06 0.02 -0.18 -0.04 0.97 -0.29 2qb8A1 VAL 72 HG23 -0.24 0.04 -0.07 -0.04 0.95 0.63 2qb8A1 PRO 73 HA 0.01 0.20 0.68 -0.51 4.44 4.82 2qb8A1 PRO 73 HB2 0.05 -0.07 -0.18 -0.04 2.28 2.03 2qb8A1 PRO 73 HB3 0.10 0.15 -0.16 -0.04 2.02 2.07 2qb8A1 PRO 73 HG2 0.09 -0.02 0.12 -0.04 2.03 2.18 2qb8A1 PRO 73 HG3 0.19 0.03 0.10 -0.04 2.03 2.31 2qb8A1 PRO 73 HD2 -0.32 0.08 0.25 -0.04 3.68 3.66 2qb8A1 PRO 73 HD3 0.06 0.32 0.31 -0.04 3.65 4.30 2qb8A1 ILE 74 H -0.01 0.67 0.41 -0.55 8.25 8.77 2qb8A1 ILE 74 HA -0.03 0.28 0.87 -0.75 4.18 4.54 2qb8A1 ILE 74 HB -0.02 -0.07 -0.03 -0.04 1.89 1.74 2qb8A1 ILE 74 HG12 -0.06 0.12 -0.30 -0.04 1.49 1.20 2qb8A1 ILE 74 HG13 -0.03 -0.03 -0.18 -0.04 1.21 0.92 2qb8A1 ILE 74 HG23 -0.01 -0.03 -0.38 -0.04 0.93 0.46 2qb8A1 ILE 74 HD13 -0.05 0.04 -0.26 -0.04 0.88 0.57 2qb8A1 ILE 75 H -0.15 0.76 0.35 -0.55 8.25 8.67 2qb8A1 ILE 75 HA -0.00 0.04 0.85 -0.75 4.18 4.31 2qb8A1 ILE 75 HB -0.41 0.02 0.15 -0.04 1.89 1.61 2qb8A1 ILE 75 HG12 -0.04 -0.05 -0.04 -0.04 1.49 1.33 2qb8A1 ILE 75 HG13 -0.16 0.03 -0.20 -0.04 1.21 0.84 2qb8A1 ILE 75 HG23 0.14 -0.02 -0.11 -0.04 0.93 0.89 2qb8A1 ILE 75 HD13 -0.24 0.00 -0.06 -0.04 0.88 0.54 2qb8A1 ASP 76 H 0.04 0.16 -0.04 -0.55 8.40 8.02 2qb8A1 ASP 76 HA 0.04 0.08 0.12 -0.75 4.63 4.12 2qb8A1 ASP 76 HB2 0.02 0.04 -0.11 -0.04 2.71 2.61 2qb8A1 ASP 76 HB3 0.03 0.08 -0.04 -0.04 2.70 2.73 2qb8A1 ILE 77 H 0.17 0.53 0.06 -0.55 8.25 8.46 2qb8A1 ILE 77 HA 0.06 0.19 0.54 -0.75 4.18 4.21 2qb8A1 ILE 77 HB 0.05 0.04 0.04 -0.04 1.89 1.98 2qb8A1 ILE 77 HG12 0.19 -0.14 -0.33 -0.04 1.49 1.17 2qb8A1 ILE 77 HG13 0.28 -0.08 -0.32 -0.04 1.21 1.05 2qb8A1 ILE 77 HG23 0.07 0.03 -0.17 -0.04 0.93 0.81 2qb8A1 ILE 77 HD13 0.11 0.01 -0.24 -0.04 0.88 0.72 2qb8A1 PRO 78 HA -0.01 -0.07 0.68 -0.51 4.44 4.53 2qb8A1 PRO 78 HB2 -0.06 -0.07 0.04 -0.04 2.28 2.14 2qb8A1 PRO 78 HB3 -0.04 0.06 0.13 -0.04 2.02 2.13 2qb8A1 PRO 78 HG2 -0.02 0.12 0.08 -0.04 2.03 2.16 2qb8A1 PRO 78 HG3 -0.01 0.08 0.08 -0.04 2.03 2.14 2qb8A1 PRO 78 HD2 0.00 0.17 0.21 -0.04 3.68 4.02 2qb8A1 PRO 78 HD3 0.02 0.21 0.18 -0.04 3.65 4.02 2qb8A1 ARG 79 H -0.15 0.09 0.23 -0.55 8.46 8.07 2qb8A1 ARG 79 HA -1.62 0.12 0.34 -0.75 4.34 2.43 2qb8A1 ARG 79 HB2 -0.30 -0.03 0.17 -0.04 1.90 1.70 2qb8A1 ARG 79 HB3 -0.23 -0.02 0.15 -0.04 1.80 1.66 2qb8A1 ARG 79 HG2 -0.33 0.02 -0.21 -0.04 1.67 1.11 2qb8A1 ARG 79 HG3 -0.70 0.04 0.02 -0.04 1.67 0.98 2qb8A1 ARG 79 HD2 -0.11 -0.01 -0.02 -0.04 3.22 3.04 2qb8A1 ARG 79 HD3 -0.10 0.02 -0.07 -0.04 3.22 3.02 2qb8A1 GLU 80 H -0.18 0.04 -0.23 -0.55 8.60 7.68 2qb8A1 GLU 80 HA -0.15 0.08 0.25 -0.75 4.29 3.71 2qb8A1 GLU 80 HB2 -0.10 -0.03 0.07 -0.04 2.09 1.99 2qb8A1 GLU 80 HB3 -0.09 0.03 -0.05 -0.04 1.99 1.83 2qb8A1 GLU 80 HG2 -0.08 0.03 -0.00 -0.04 2.34 2.24 2qb8A1 GLU 80 HG3 -0.07 0.01 0.05 -0.04 2.34 2.28 2qb8A1 ASP 81 H -0.14 0.34 -0.40 -0.55 8.40 7.66 2qb8A1 ASP 81 HA -0.10 0.09 0.54 -0.75 4.63 4.40 2qb8A1 ASP 81 HB2 -0.04 0.13 0.04 -0.04 2.71 2.80 2qb8A1 ASP 81 HB3 -0.04 0.07 0.07 -0.04 2.70 2.76 2qb8A1 LEU 82 H -0.18 0.46 -0.21 -0.55 8.37 7.90 2qb8A1 LEU 82 HA 0.05 0.07 0.43 -0.75 4.35 4.15 2qb8A1 LEU 82 HB2 -0.05 0.01 0.10 -0.04 1.64 1.66 2qb8A1 LEU 82 HB3 -0.08 0.03 0.05 -0.04 1.64 1.60 2qb8A1 LEU 82 HG 0.09 -0.00 -0.15 -0.04 1.64 1.54 2qb8A1 LEU 82 HD13 0.24 -0.01 -0.01 -0.04 0.93 1.11 2qb8A1 LEU 82 HD23 0.21 -0.00 -0.06 -0.04 0.89 0.99 2qb8A1 SER 83 H -0.07 0.26 -0.31 -0.55 8.46 7.80 2qb8A1 SER 83 HA 0.03 0.02 0.25 -0.75 4.49 4.04 2qb8A1 SER 83 HB2 0.02 0.01 0.07 -0.04 3.95 4.01 2qb8A1 SER 83 HB3 -0.02 -0.05 0.08 -0.04 3.93 3.89 2qb8A1 LEU 84 H -0.09 0.33 -0.52 -0.55 8.37 7.55 2qb8A1 LEU 84 HA -0.39 0.13 0.56 -0.75 4.35 3.89 2qb8A1 LEU 84 HB2 -0.13 0.15 0.09 -0.04 1.64 1.72 2qb8A1 LEU 84 HB3 -0.35 -0.01 0.14 -0.04 1.64 1.37 2qb8A1 LEU 84 HG -0.22 -0.04 0.06 -0.04 1.64 1.39 2qb8A1 LEU 84 HD13 -0.19 0.01 0.04 -0.04 0.93 0.75 2qb8A1 LEU 84 HD23 -0.77 -0.01 -0.04 -0.04 0.89 0.03 2qb8A1 ARG 85 H 0.05 0.55 -0.26 -0.55 8.46 8.25 2qb8A1 ARG 85 HA 0.11 0.16 0.89 -0.75 4.34 4.74 2qb8A1 ARG 85 HB2 0.08 0.13 0.30 -0.04 1.90 2.37 2qb8A1 ARG 85 HB3 0.08 -0.29 0.21 -0.04 1.80 1.76 2qb8A1 ARG 85 HG2 0.07 -0.07 0.12 -0.04 1.67 1.76 2qb8A1 ARG 85 HG3 0.06 0.06 -0.12 -0.04 1.67 1.63 2qb8A1 ARG 85 HD2 0.06 0.04 0.09 -0.04 3.22 3.36 2qb8A1 ARG 85 HD3 0.09 -0.11 0.13 -0.04 3.22 3.29 2qb8A1 ARG 86 H 0.16 0.46 -0.03 -0.55 8.46 8.50 2qb8A1 ARG 86 HA 0.11 0.06 0.27 -0.75 4.34 4.02 2qb8A1 ARG 86 HB2 0.06 0.26 0.17 -0.04 1.90 2.35 2qb8A1 ARG 86 HB3 0.05 -0.08 0.08 -0.04 1.80 1.80 2qb8A1 ARG 86 HG2 0.13 -0.09 0.05 -0.04 1.67 1.73 2qb8A1 ARG 86 HG3 0.28 0.10 0.03 -0.04 1.67 2.04 2qb8A1 ARG 86 HD2 -0.06 0.33 0.14 -0.04 3.22 3.59 2qb8A1 ARG 86 HD3 -0.01 -0.14 0.07 -0.04 3.22 3.10 2qb8A1 ASP 87 H 0.05 0.16 -0.29 -0.55 8.40 7.77 2qb8A1 ASP 87 HA 0.02 0.14 0.58 -0.75 4.63 4.61 2qb8A1 ASP 87 HB2 -0.01 -0.05 0.07 -0.04 2.71 2.67 2qb8A1 ASP 87 HB3 -0.03 0.14 0.15 -0.04 2.70 2.92 2qb8A1 VAL 88 H 0.08 0.19 -0.17 -0.55 8.24 7.78 2qb8A1 VAL 88 HA 0.08 -0.03 0.40 -0.75 4.13 3.83 2qb8A1 VAL 88 HB 0.09 0.27 0.17 -0.04 2.12 2.60 2qb8A1 VAL 88 HG13 0.09 -0.00 -0.09 -0.04 0.97 0.92 2qb8A1 VAL 88 HG23 0.07 -0.02 0.01 -0.04 0.95 0.97 2qb8A1 MET 89 H 0.10 0.60 -0.12 -0.55 8.47 8.51 2qb8A1 MET 89 HA 0.08 -0.02 0.28 -0.75 4.52 4.11 2qb8A1 MET 89 HB2 0.10 0.15 0.10 -0.04 2.15 2.46 2qb8A1 MET 89 HB3 0.08 -0.05 0.01 -0.04 2.03 2.03 2qb8A1 MET 89 HG2 0.08 0.22 -0.02 -0.04 2.63 2.87 2qb8A1 MET 89 HG3 0.08 0.06 -0.10 -0.04 2.56 2.56 2qb8A1 MET 89 HE3 0.04 -0.00 -0.04 -0.04 2.10 2.06 2qb8A1 TYR 90 H 0.20 0.40 -0.38 -0.55 8.29 7.96 2qb8A1 TYR 90 HA 0.05 0.02 0.38 -0.75 4.56 4.25 2qb8A1 TYR 90 HB2 0.02 0.07 0.12 -0.04 3.06 3.23 2qb8A1 TYR 90 HB3 0.01 0.14 0.19 -0.04 2.98 3.28 2qb8A1 TYR 90 HD2 0.02 0.01 -0.07 -0.04 7.15 7.07 2qb8A1 TYR 90 HE2 0.14 -0.01 -0.03 -0.04 6.85 6.92 2qb8A1 VAL 91 H 0.16 0.45 -0.06 -0.55 8.24 8.23 2qb8A1 VAL 91 HA 0.08 0.03 0.42 -0.75 4.13 3.91 2qb8A1 VAL 91 HB 0.10 0.05 0.16 -0.04 2.12 2.40 2qb8A1 VAL 91 HG13 0.16 -0.01 -0.11 -0.04 0.97 0.97 2qb8A1 VAL 91 HG23 0.14 0.03 0.06 -0.04 0.95 1.14 2qb8A1 LEU 92 H 0.05 0.62 -0.12 -0.55 8.37 8.38 2qb8A1 LEU 92 HA 0.02 -0.04 0.42 -0.75 4.35 4.00 2qb8A1 LEU 92 HB2 0.05 0.12 0.11 -0.04 1.64 1.87 2qb8A1 LEU 92 HB3 0.04 0.14 0.01 -0.04 1.64 1.78 2qb8A1 LEU 92 HG 0.07 0.11 0.01 -0.04 1.64 1.78 2qb8A1 LEU 92 HD13 0.09 -0.02 -0.15 -0.04 0.93 0.81 2qb8A1 LEU 92 HD23 0.04 -0.03 -0.09 -0.04 0.89 0.78 2qb8A1 GLU 93 H -0.01 0.60 -0.09 -0.55 8.60 8.56 2qb8A1 GLU 93 HA -0.02 -0.01 0.39 -0.75 4.29 3.90 2qb8A1 GLU 93 HB2 -0.07 0.13 0.17 -0.04 2.09 2.28 2qb8A1 GLU 93 HB3 -0.04 -0.05 0.00 -0.04 1.99 1.87 2qb8A1 GLU 93 HG2 0.01 -0.08 0.03 -0.04 2.34 2.26 2qb8A1 GLU 93 HG3 0.03 0.14 0.09 -0.04 2.34 2.55 2qb8A1 LYS 94 H -0.16 0.44 -0.30 -0.55 8.42 7.85 2qb8A1 LYS 94 HA -0.13 0.04 0.44 -0.75 4.32 3.92 2qb8A1 LYS 94 HB2 -0.13 0.14 0.17 -0.04 1.87 2.00 2qb8A1 LYS 94 HB3 -0.14 -0.07 -0.02 -0.04 1.79 1.53 2qb8A1 LYS 94 HG2 -0.64 0.08 0.05 -0.04 1.46 0.91 2qb8A1 LYS 94 HG3 -0.40 -0.07 -0.00 -0.04 1.46 0.94 2qb8A1 LYS 94 HD2 -0.10 -0.05 0.01 -0.04 1.69 1.51 2qb8A1 LYS 94 HD3 -0.13 0.02 0.07 -0.04 1.68 1.60 2qb8A1 LYS 94 HE2 -0.09 0.01 -0.02 -0.04 2.99 2.84 2qb8A1 LYS 94 HE3 -0.24 0.00 -0.01 -0.04 2.99 2.70 2qb8A1 LEU 95 H -0.04 0.39 -0.17 -0.55 8.37 8.00 2qb8A1 LEU 95 HA -0.05 0.15 0.78 -0.75 4.35 4.47 2qb8A1 LEU 95 HB2 -0.02 0.09 0.12 -0.04 1.64 1.80 2qb8A1 LEU 95 HB3 -0.03 -0.06 0.05 -0.04 1.64 1.56 2qb8A1 LEU 95 HG -0.04 -0.08 0.00 -0.04 1.64 1.48 2qb8A1 LEU 95 HD13 -0.04 -0.01 0.08 -0.04 0.93 0.91 2qb8A1 LEU 95 HD23 -0.05 0.03 0.14 -0.04 0.89 0.97 2qb8A1 LYS 96 H -0.04 0.29 -0.60 -0.55 8.42 7.52 2qb8A1 LYS 96 HA -0.02 0.07 0.25 -0.75 4.32 3.87 2qb8A1 LYS 96 HB2 -0.01 0.06 0.15 -0.04 1.87 2.03 2qb8A1 LYS 96 HB3 -0.01 -0.08 0.15 -0.04 1.79 1.80 2qb8A1 LYS 96 HG2 -0.03 0.11 -0.30 -0.04 1.46 1.20 2qb8A1 LYS 96 HG3 -0.02 -0.02 -0.16 -0.04 1.46 1.21 2qb8A1 LYS 96 HD2 -0.01 -0.07 0.00 -0.04 1.69 1.57 2qb8A1 LYS 96 HD3 -0.02 0.04 0.02 -0.04 1.68 1.69 2qb8A1 LYS 96 HE2 -0.01 -0.03 -0.01 -0.04 2.99 2.89 2qb8A1 LYS 96 HE3 -0.01 -0.06 0.00 -0.04 2.99 2.88 2qb8A1 ILE 97 H -0.01 0.50 -0.17 -0.55 8.25 8.03 2qb8A1 ILE 97 HA -0.00 0.08 0.81 -0.75 4.18 4.31 2qb8A1 ILE 97 HB 0.01 -0.05 0.08 -0.04 1.89 1.89 2qb8A1 ILE 97 HG12 0.00 -0.01 -0.11 -0.04 1.49 1.32 2qb8A1 ILE 97 HG13 -0.01 0.12 -0.23 -0.04 1.21 1.04 2qb8A1 ILE 97 HG23 0.02 -0.01 -0.24 -0.04 0.93 0.66 2qb8A1 ILE 97 HD13 -0.00 -0.02 -0.05 -0.04 0.88 0.77 2qb8A1 LYS 98 H -0.00 0.19 0.08 -0.55 8.42 8.13 2qb8A1 LYS 98 HA 0.01 0.15 0.50 -0.75 4.32 4.23 2qb8A1 LYS 98 HB2 -0.01 -0.07 0.00 -0.04 1.87 1.75 2qb8A1 LYS 98 HB3 -0.00 -0.04 0.04 -0.04 1.79 1.75 2qb8A1 LYS 98 HG2 -0.01 0.12 0.01 -0.04 1.46 1.54 2qb8A1 LYS 98 HG3 -0.01 0.03 -0.01 -0.04 1.46 1.43 2qb8A1 LYS 98 HD2 -0.00 -0.02 -0.05 -0.04 1.69 1.58 2qb8A1 LYS 98 HD3 0.00 -0.01 -0.22 -0.04 1.68 1.41 2qb8A1 LYS 98 HE2 -0.00 0.16 -0.14 -0.04 2.99 2.97 2qb8A1 LYS 98 HE3 -0.00 -0.00 -0.03 -0.04 2.99 2.92 2qb8A1 GLU 99 H 0.03 0.20 0.12 -0.55 8.60 8.40 2qb8A1 GLU 99 HA 0.13 0.09 0.33 -0.75 4.29 4.09 2qb8A1 GLU 99 HB2 0.09 0.01 0.06 -0.04 2.09 2.21 2qb8A1 GLU 99 HB3 0.06 0.05 0.10 -0.04 1.99 2.15 2qb8A1 GLU 99 HG2 0.00 0.04 0.02 -0.04 2.34 2.37 2qb8A1 GLU 99 HG3 0.01 -0.12 0.05 -0.04 2.34 2.24 2qb8A1 GLU 100 H -0.00 0.04 -0.29 -0.55 8.60 7.81 2qb8A1 GLU 100 HA -0.03 0.11 0.39 -0.75 4.29 4.01 2qb8A1 GLU 100 HB2 -0.05 0.08 0.07 -0.04 2.09 2.14 2qb8A1 GLU 100 HB3 -0.03 -0.04 0.05 -0.04 1.99 1.93 2qb8A1 GLU 100 HG2 -0.04 0.00 -0.18 -0.04 2.34 2.09 2qb8A1 GLU 100 HG3 -0.04 0.07 -0.09 -0.04 2.34 2.24 2qb8A1 GLU 101 H -0.04 0.27 -0.49 -0.55 8.60 7.79 2qb8A1 GLU 101 HA -0.16 0.19 0.67 -0.75 4.29 4.23 2qb8A1 GLU 101 HB2 -0.03 0.09 0.07 -0.04 2.09 2.17 2qb8A1 GLU 101 HB3 -0.05 -0.05 0.03 -0.04 1.99 1.87 2qb8A1 GLU 101 HG2 -0.05 0.05 -0.01 -0.04 2.34 2.28 2qb8A1 GLU 101 HG3 -0.05 -0.09 -0.08 -0.04 2.34 2.08 2qb8A1 LEU 102 H -0.09 0.37 -0.28 -0.55 8.37 7.83 2qb8A1 LEU 102 HA -0.09 0.17 0.74 -0.75 4.35 4.42 2qb8A1 LEU 102 HB2 -0.00 0.08 0.05 -0.04 1.64 1.73 2qb8A1 LEU 102 HB3 -0.46 -0.09 0.01 -0.04 1.64 1.07 2qb8A1 LEU 102 HG -0.01 0.04 -0.28 -0.04 1.64 1.35 2qb8A1 LEU 102 HD13 0.07 -0.03 -0.16 -0.04 0.93 0.77 2qb8A1 LEU 102 HD23 -0.02 0.01 -0.09 -0.04 0.89 0.75 2qb8A1 PHE 103 H -0.10 0.21 0.15 -0.55 8.34 8.05 2qb8A1 PHE 103 HA -0.08 0.11 0.93 -0.75 4.62 4.82 2qb8A1 PHE 103 HB2 -0.14 0.29 0.26 -0.04 3.15 3.52 2qb8A1 PHE 103 HB3 -0.09 -0.06 -0.03 -0.04 3.06 2.83 2qb8A1 PHE 103 HD2 -0.09 -0.07 -0.04 -0.04 7.28 7.03 2qb8A1 PHE 103 HE2 -0.14 0.04 -0.05 -0.04 7.38 7.19 2qb8A1 PHE 103 HZ -0.18 0.01 -0.24 -0.04 7.32 6.86 2qb8A1 PHE 104 H 0.18 0.06 0.17 -0.55 8.34 8.19 2qb8A1 PHE 104 HA 0.03 0.42 0.95 -0.75 4.62 5.27 2qb8A1 PHE 104 HB2 -0.01 -0.16 0.17 -0.04 3.15 3.11 2qb8A1 PHE 104 HB3 -0.00 0.20 0.31 -0.04 3.06 3.53 2qb8A1 PHE 104 HD2 -0.02 0.08 -0.10 -0.04 7.28 7.21 2qb8A1 PHE 104 HE2 -0.01 0.11 -0.05 -0.04 7.38 7.38 2qb8A1 PHE 104 HZ 0.00 0.00 -0.04 -0.04 7.32 7.25 2qb8A1 ILE 105 H 0.18 0.58 0.21 -0.55 8.25 8.67 2qb8A1 ILE 105 HA -0.03 0.11 0.34 -0.75 4.18 3.85 2qb8A1 ILE 105 HB 0.03 -0.09 -0.10 -0.04 1.89 1.68 2qb8A1 ILE 105 HG12 -0.03 0.04 -0.13 -0.04 1.49 1.33 2qb8A1 ILE 105 HG13 0.05 0.01 -0.09 -0.04 1.21 1.14 2qb8A1 ILE 105 HG23 -0.07 0.03 -0.17 -0.04 0.93 0.68 2qb8A1 ILE 105 HD13 0.02 0.02 -0.26 -0.04 0.88 0.62 2qb8A1 GLU 106 H 0.06 0.01 -0.08 -0.55 8.60 8.05 2qb8A1 GLU 106 HA -0.00 0.12 0.36 -0.75 4.29 4.02 2qb8A1 GLU 106 HB2 0.04 -0.06 0.10 -0.04 2.09 2.13 2qb8A1 GLU 106 HB3 0.01 0.11 0.02 -0.04 1.99 2.09 2qb8A1 GLU 106 HG2 -0.01 0.09 0.06 -0.04 2.34 2.44 2qb8A1 GLU 106 HG3 -0.00 0.06 0.05 -0.04 2.34 2.41 2qb8A1 ASP 107 H 0.10 -0.01 -0.27 -0.55 8.40 7.66 2qb8A1 ASP 107 HA 0.05 0.10 0.46 -0.75 4.63 4.49 2qb8A1 ASP 107 HB2 0.16 0.04 0.14 -0.04 2.71 3.01 2qb8A1 ASP 107 HB3 0.20 0.13 0.05 -0.04 2.70 3.04 2qb8A1 LEU 108 H 0.03 0.47 -0.13 -0.55 8.37 8.19 2qb8A1 LEU 108 HA 0.01 0.07 0.40 -0.75 4.35 4.08 2qb8A1 LEU 108 HB2 -0.03 -0.00 -0.04 -0.04 1.64 1.53 2qb8A1 LEU 108 HB3 -0.12 0.05 0.07 -0.04 1.64 1.60 2qb8A1 LEU 108 HG -0.21 0.02 -0.26 -0.04 1.64 1.16 2qb8A1 LEU 108 HD13 -0.01 0.00 -0.07 -0.04 0.93 0.82 2qb8A1 LEU 108 HD23 -0.09 -0.01 -0.14 -0.04 0.89 0.60 2qb8A1 LYS 109 H -0.08 0.55 -0.12 -0.55 8.42 8.22 2qb8A1 LYS 109 HA 0.00 0.06 0.49 -0.75 4.32 4.11 2qb8A1 LYS 109 HB2 -0.01 0.09 0.16 -0.04 1.87 2.06 2qb8A1 LYS 109 HB3 0.05 -0.02 -0.00 -0.04 1.79 1.78 2qb8A1 LYS 109 HG2 -0.08 0.01 -0.00 -0.04 1.46 1.35 2qb8A1 LYS 109 HG3 -0.28 0.05 0.02 -0.04 1.46 1.20 2qb8A1 LYS 109 HD2 -0.05 -0.11 -0.21 -0.04 1.69 1.28 2qb8A1 LYS 109 HD3 0.01 -0.01 -0.04 -0.04 1.68 1.60 2qb8A1 LYS 109 HE2 0.09 0.02 -0.04 -0.04 2.99 3.02 2qb8A1 LYS 109 HE3 0.03 0.04 -0.05 -0.04 2.99 2.97 2qb8A1 SER 110 H 0.02 0.48 -0.16 -0.55 8.46 8.26 2qb8A1 SER 110 HA 0.03 0.01 0.41 -0.75 4.49 4.19 2qb8A1 SER 110 HB2 0.04 0.12 0.17 -0.04 3.95 4.24 2qb8A1 SER 110 HB3 0.03 -0.02 0.01 -0.04 3.93 3.91 2qb8A1 LEU 111 H 0.04 0.48 -0.18 -0.55 8.37 8.17 2qb8A1 LEU 111 HA 0.04 0.01 0.44 -0.75 4.35 4.09 2qb8A1 LEU 111 HB2 0.03 0.12 0.15 -0.04 1.64 1.89 2qb8A1 LEU 111 HB3 0.02 -0.03 -0.07 -0.04 1.64 1.52 2qb8A1 LEU 111 HG 0.08 0.11 0.02 -0.04 1.64 1.81 2qb8A1 LEU 111 HD13 -0.04 -0.02 -0.11 -0.04 0.93 0.71 2qb8A1 LEU 111 HD23 0.03 -0.01 -0.03 -0.04 0.89 0.83 2qb8A1 LYS 112 H 0.07 0.50 -0.14 -0.55 8.42 8.30 2qb8A1 LYS 112 HA 0.07 0.03 0.34 -0.75 4.32 4.02 2qb8A1 LYS 112 HB2 0.22 0.01 0.12 -0.04 1.87 2.17 2qb8A1 LYS 112 HB3 0.21 0.08 0.12 -0.04 1.79 2.15 2qb8A1 LYS 112 HG2 0.17 -0.06 -0.01 -0.04 1.46 1.52 2qb8A1 LYS 112 HG3 0.08 0.02 -0.04 -0.04 1.46 1.47 2qb8A1 LYS 112 HD2 0.08 -0.01 0.06 -0.04 1.69 1.78 2qb8A1 LYS 112 HD3 0.21 -0.04 0.07 -0.04 1.68 1.88 2qb8A1 LYS 112 HE2 -0.06 0.01 0.11 -0.04 2.99 3.01 2qb8A1 LYS 112 HE3 -0.00 -0.03 0.05 -0.04 2.99 2.96 2qb8A1 GLN 113 H 0.07 0.31 -0.36 -0.55 8.47 7.94 2qb8A1 GLN 113 HA 0.04 0.05 0.47 -0.75 4.36 4.16 2qb8A1 GLN 113 HB2 0.06 0.00 0.08 -0.04 2.15 2.25 2qb8A1 GLN 113 HB3 0.04 0.07 0.14 -0.04 2.02 2.22 2qb8A1 GLN 113 HG2 0.02 0.02 -0.11 -0.04 2.40 2.29 2qb8A1 GLN 113 HG3 0.03 -0.05 0.03 -0.04 2.39 2.36 2qb8A1 GLN 113 HE21 0.03 -0.07 -0.04 -0.04 6.97 6.84 2qb8A1 GLN 113 HE22 0.04 0.03 -0.05 -0.04 7.69 7.67 2qb8A1 ASN 114 H 0.03 0.35 -0.17 -0.55 8.53 8.19 2qb8A1 ASN 114 HA 0.02 0.09 0.60 -0.75 4.76 4.71 2qb8A1 ASN 114 HB2 0.02 0.16 0.14 -0.04 2.88 3.15 2qb8A1 ASN 114 HB3 0.02 -0.13 0.11 -0.04 2.79 2.74 2qb8A1 ASN 114 HD21 0.01 -0.06 -0.02 -0.04 7.03 6.91 2qb8A1 ASN 114 HD22 0.01 0.01 0.03 -0.04 7.74 7.75 2qb8A1 VAL 115 H 0.03 0.33 -0.23 -0.55 8.24 7.82 2qb8A1 VAL 115 HA 0.02 -0.08 0.58 -0.75 4.13 3.89 2qb8A1 VAL 115 HB 0.03 0.12 0.06 -0.04 2.12 2.28 2qb8A1 VAL 115 HG13 0.03 0.09 -0.14 -0.04 0.97 0.91 2qb8A1 VAL 115 HG23 0.02 -0.05 -0.03 -0.04 0.95 0.85 2qb8A1 SER 116 H 0.02 0.00 0.09 -0.55 8.46 8.03 2qb8A1 SER 116 HA 0.01 0.09 0.44 -0.75 4.49 4.28 2qb8A1 SER 116 HB2 0.02 -0.02 0.10 -0.04 3.95 4.01 2qb8A1 SER 116 HB3 0.01 -0.08 -0.03 -0.04 3.93 3.78 2qb8A1 GLN 117 H 0.01 0.07 0.15 -0.55 8.47 8.16 2qb8A1 GLN 117 HA 0.01 0.24 0.11 -0.75 4.36 3.97 2qb8A1 GLN 117 HB2 0.01 0.01 0.15 -0.04 2.15 2.28 2qb8A1 GLN 117 HB3 0.01 -0.06 0.07 -0.04 2.02 1.99 2qb8A1 GLN 117 HG2 0.00 -0.05 -0.00 -0.04 2.40 2.31 2qb8A1 GLN 117 HG3 0.00 0.08 0.15 -0.04 2.39 2.58 2qb8A1 GLN 117 HE21 0.00 -0.03 0.03 -0.04 6.97 6.93 2qb8A1 GLN 117 HE22 -0.00 0.02 0.04 -0.04 7.69 7.71 2qb8A1 GLY 118 H 0.01 -0.03 -0.33 -0.55 8.43 7.53 2qb8A1 GLY 118 HA2 0.01 0.19 0.70 -0.51 4.01 4.40 2qb8A1 GLY 118 HA3 0.01 -0.07 0.28 -0.51 4.01 3.72 2qb8A1 THR 119 H 0.01 0.47 -0.26 -0.55 8.28 7.96 2qb8A1 THR 119 HA 0.02 0.22 0.65 -0.75 4.39 4.53 2qb8A1 THR 119 HB 0.02 0.14 -0.00 -0.04 4.32 4.44 2qb8A1 THR 119 HG23 0.03 -0.03 -0.37 -0.04 1.22 0.81 2qb8A1 GLU 120 H 0.02 0.50 0.35 -0.55 8.60 8.92 2qb8A1 GLU 120 HA 0.01 0.11 0.68 -0.75 4.29 4.33 2qb8A1 GLU 120 HB2 0.01 0.05 0.23 -0.04 2.09 2.34 2qb8A1 GLU 120 HB3 0.01 -0.07 -0.05 -0.04 1.99 1.83 2qb8A1 GLU 120 HG2 0.01 0.01 0.02 -0.04 2.34 2.34 2qb8A1 GLU 120 HG3 0.01 0.10 0.06 -0.04 2.34 2.47 2qb8A1 LEU 121 H 0.02 0.19 0.19 -0.55 8.37 8.22 2qb8A1 LEU 121 HA 0.02 0.32 1.01 -0.75 4.35 4.95 2qb8A1 LEU 121 HB2 0.04 0.06 0.09 -0.04 1.64 1.80 2qb8A1 LEU 121 HB3 0.04 0.06 0.31 -0.04 1.64 2.01 2qb8A1 LEU 121 HG 0.03 0.02 -0.03 -0.04 1.64 1.63 2qb8A1 LEU 121 HD13 0.08 0.01 -0.07 -0.04 0.93 0.91 2qb8A1 LEU 121 HD23 0.03 -0.00 -0.25 -0.04 0.89 0.63 2qb8A1 ASN 122 H 0.01 0.58 0.28 -0.55 8.53 8.86 2qb8A1 ASN 122 HA -0.04 0.12 1.04 -0.75 4.76 5.13 2qb8A1 ASN 122 HB2 -0.02 0.02 0.01 -0.04 2.88 2.86 2qb8A1 ASN 122 HB3 -0.09 -0.01 0.01 -0.04 2.79 2.66 2qb8A1 ASN 122 HD21 -0.01 0.01 -0.09 -0.04 7.03 6.90 2qb8A1 ASN 122 HD22 -0.02 0.02 -0.09 -0.04 7.74 7.61 2qb8A1 SER 123 H -0.12 0.54 0.40 -0.55 8.46 8.74 2qb8A1 SER 123 HA -0.01 0.29 1.11 -0.75 4.49 5.13 2qb8A1 SER 123 HB2 -0.02 -0.00 -0.26 -0.04 3.95 3.63 2qb8A1 SER 123 HB3 -0.07 -0.07 -0.02 -0.04 3.93 3.72 2qb8A1 TYR 124 H 0.15 0.70 0.40 -0.55 8.29 8.99 2qb8A1 TYR 124 HA -0.13 0.14 0.94 -0.75 4.56 4.75 2qb8A1 TYR 124 HB2 -0.26 -0.03 0.15 -0.04 3.06 2.88 2qb8A1 TYR 124 HB3 -0.44 -0.01 -0.09 -0.04 2.98 2.40 2qb8A1 TYR 124 HD2 -0.11 0.05 -0.08 -0.04 7.15 6.96 2qb8A1 TYR 124 HE2 0.12 0.12 -0.05 -0.04 6.85 6.99 2qb8A1 LEU 125 H -0.04 0.68 0.35 -0.55 8.37 8.81 2qb8A1 LEU 125 HA -0.01 0.29 1.00 -0.75 4.35 4.88 2qb8A1 LEU 125 HB2 -0.02 -0.03 0.10 -0.04 1.64 1.65 2qb8A1 LEU 125 HB3 0.00 0.01 -0.13 -0.04 1.64 1.48 2qb8A1 LEU 125 HG -0.11 0.03 -0.24 -0.04 1.64 1.28 2qb8A1 LEU 125 HD13 -0.06 -0.02 -0.49 -0.04 0.93 0.32 2qb8A1 LEU 125 HD23 -0.04 0.03 -0.21 -0.04 0.89 0.63 2qb8A1 VAL 126 H 0.02 0.67 0.25 -0.55 8.24 8.63 2qb8A1 VAL 126 HA 0.05 0.41 0.93 -0.75 4.13 4.77 2qb8A1 VAL 126 HB 0.09 -0.11 0.02 -0.04 2.12 2.08 2qb8A1 VAL 126 HG13 0.03 0.02 -0.23 -0.04 0.97 0.76 2qb8A1 VAL 126 HG23 0.07 -0.02 -0.32 -0.04 0.95 0.64 2qb8A1 ASP 127 H 0.12 0.48 0.35 -0.55 8.40 8.80 2qb8A1 ASP 127 HA 0.29 -0.13 0.40 -0.75 4.63 4.44 2qb8A1 ASP 127 HB2 0.12 -0.00 -0.28 -0.04 2.71 2.51 2qb8A1 ASP 127 HB3 0.13 0.08 0.14 -0.04 2.70 3.01 2qb8A1 ASN 128 H 0.11 0.37 -0.64 -0.55 8.53 7.82 2qb8A1 ASN 128 HA 0.08 -0.02 0.14 -0.75 4.76 4.21 2qb8A1 ASN 128 HB2 -0.00 -0.04 0.16 -0.04 2.88 2.96 2qb8A1 ASN 128 HB3 -0.03 0.05 0.30 -0.04 2.79 3.07 2qb8A1 ASN 128 HD21 0.02 0.24 -0.22 -0.04 7.03 7.03 2qb8A1 ASN 128 HD22 0.06 -0.15 -0.47 -0.04 7.74 7.13 2qb8A1 ASN 129 H 0.06 0.10 0.07 -0.55 8.53 8.21 2qb8A1 ASN 129 HA 0.05 0.29 0.82 -0.75 4.76 5.16 2qb8A1 ASN 129 HB2 0.05 0.09 0.08 -0.04 2.88 3.06 2qb8A1 ASN 129 HB3 0.06 -0.01 -0.20 -0.04 2.79 2.59 2qb8A1 ASN 129 HD21 0.06 0.50 -0.15 -0.04 7.03 7.40 2qb8A1 ASN 129 HD22 0.10 -0.18 -0.25 -0.04 7.74 7.37 2qb8A1 ASP 130 H 0.06 0.08 0.07 -0.55 8.40 8.06 2qb8A1 ASP 130 HA 0.19 0.17 0.29 -0.75 4.63 4.52 2qb8A1 ASP 130 HB2 0.10 -0.02 -0.05 -0.04 2.71 2.70 2qb8A1 ASP 130 HB3 0.08 -0.01 -0.04 -0.04 2.70 2.68 2qb8A1 THR 131 H 0.09 0.15 -0.00 -0.55 8.28 7.96 2qb8A1 THR 131 HA -0.00 0.10 0.24 -0.75 4.39 3.97 2qb8A1 THR 131 HB 0.04 -0.02 -0.00 -0.04 4.32 4.29 2qb8A1 THR 131 HG23 0.01 0.07 -0.23 -0.04 1.22 1.04 2qb8A1 PRO 132 HA -0.02 0.00 0.54 -0.51 4.44 4.46 2qb8A1 PRO 132 HB2 0.01 -0.05 0.02 -0.04 2.28 2.22 2qb8A1 PRO 132 HB3 -0.01 -0.03 0.15 -0.04 2.02 2.09 2qb8A1 PRO 132 HG2 0.01 0.14 0.06 -0.04 2.03 2.19 2qb8A1 PRO 132 HG3 -0.00 -0.04 0.17 -0.04 2.03 2.11 2qb8A1 PRO 132 HD2 0.00 0.10 0.12 -0.04 3.68 3.86 2qb8A1 PRO 132 HD3 0.00 0.21 0.14 -0.04 3.65 3.96 2qb8A1 LYS 133 H -0.03 0.13 0.23 -0.55 8.42 8.19 2qb8A1 LYS 133 HA 0.02 0.15 0.32 -0.75 4.32 4.05 2qb8A1 LYS 133 HB2 -0.02 0.04 0.16 -0.04 1.87 2.01 2qb8A1 LYS 133 HB3 -0.02 -0.04 0.14 -0.04 1.79 1.83 2qb8A1 LYS 133 HG2 0.00 0.02 -0.10 -0.04 1.46 1.35 2qb8A1 LYS 133 HG3 0.01 -0.01 0.03 -0.04 1.46 1.46 2qb8A1 LYS 133 HD2 -0.01 -0.01 -0.01 -0.04 1.69 1.62 2qb8A1 LYS 133 HD3 0.00 0.03 -0.02 -0.04 1.68 1.65 2qb8A1 LYS 133 HE2 0.02 0.01 0.03 -0.04 2.99 3.00 2qb8A1 LYS 133 HE3 0.01 -0.01 0.03 -0.04 2.99 2.99 2qb8A1 ASN 134 H 0.01 0.05 -0.17 -0.55 8.53 7.88 2qb8A1 ASN 134 HA 0.05 0.13 0.36 -0.75 4.76 4.55 2qb8A1 ASN 134 HB2 0.04 0.05 0.07 -0.04 2.88 2.99 2qb8A1 ASN 134 HB3 0.02 -0.00 0.08 -0.04 2.79 2.85 2qb8A1 ASN 134 HD21 0.01 0.00 -0.14 -0.04 7.03 6.85 2qb8A1 ASN 134 HD22 0.01 -0.00 -0.10 -0.04 7.74 7.61 2qb8A1 LEU 135 H 0.05 0.35 -0.54 -0.55 8.37 7.68 2qb8A1 LEU 135 HA 0.22 0.18 0.79 -0.75 4.35 4.78 2qb8A1 LEU 135 HB2 0.04 0.12 -0.06 -0.04 1.64 1.70 2qb8A1 LEU 135 HB3 0.06 -0.02 0.04 -0.04 1.64 1.69 2qb8A1 LEU 135 HG 0.01 -0.10 -0.18 -0.04 1.64 1.33 2qb8A1 LEU 135 HD13 -0.00 0.00 -0.11 -0.04 0.93 0.78 2qb8A1 LEU 135 HD23 -0.08 0.03 -0.22 -0.04 0.89 0.58 2qb8A1 LYS 136 H 0.07 0.45 -0.21 -0.55 8.42 8.18 2qb8A1 LYS 136 HA 0.05 0.04 0.26 -0.75 4.32 3.91 2qb8A1 LYS 136 HB2 0.03 0.14 0.14 -0.04 1.87 2.15 2qb8A1 LYS 136 HB3 0.03 0.01 -0.01 -0.04 1.79 1.78 2qb8A1 LYS 136 HG2 0.04 -0.04 -0.03 -0.04 1.46 1.39 2qb8A1 LYS 136 HG3 0.03 0.01 -0.05 -0.04 1.46 1.41 2qb8A1 LYS 136 HD2 0.03 -0.03 0.03 -0.04 1.69 1.67 2qb8A1 LYS 136 HD3 0.03 0.02 0.00 -0.04 1.68 1.69 2qb8A1 LYS 136 HE2 0.04 -0.02 -0.00 -0.04 2.99 2.96 2qb8A1 LYS 136 HE3 0.05 -0.01 -0.01 -0.04 2.99 2.98 2qb8A1 ASN 137 H 0.06 0.08 -0.40 -0.55 8.53 7.72 2qb8A1 ASN 137 HA -0.07 0.16 0.46 -0.75 4.76 4.56 2qb8A1 ASN 137 HB2 -0.14 -0.01 -0.04 -0.04 2.88 2.65 2qb8A1 ASN 137 HB3 -0.30 0.03 -0.01 -0.04 2.79 2.47 2qb8A1 ASN 137 HD21 -0.03 -0.02 -0.03 -0.04 7.03 6.91 2qb8A1 ASN 137 HD22 -0.05 0.01 -0.03 -0.04 7.74 7.63 2qb8A1 TYR 138 H 0.17 0.34 -0.37 -0.55 8.29 7.88 2qb8A1 TYR 138 HA 0.00 0.17 0.75 -0.75 4.56 4.73 2qb8A1 TYR 138 HB2 0.00 0.03 0.06 -0.04 3.06 3.11 2qb8A1 TYR 138 HB3 0.01 -0.02 -0.04 -0.04 2.98 2.89 2qb8A1 TYR 138 HD2 0.01 -0.00 -0.03 -0.04 7.15 7.08 2qb8A1 TYR 138 HE2 0.01 0.03 -0.02 -0.04 6.85 6.82 2qb8A1 ILE 139 H 0.10 0.31 -0.02 -0.55 8.25 8.09 2qb8A1 ILE 139 HA 0.04 0.18 0.62 -0.75 4.18 4.26 2qb8A1 ILE 139 HB 0.03 -0.01 0.01 -0.04 1.89 1.87 2qb8A1 ILE 139 HG12 0.02 0.04 -0.22 -0.04 1.49 1.29 2qb8A1 ILE 139 HG13 0.08 -0.06 -0.18 -0.04 1.21 1.00 2qb8A1 ILE 139 HG23 -0.03 -0.03 -0.26 -0.04 0.93 0.57 2qb8A1 ILE 139 HD13 0.01 -0.03 -0.14 -0.04 0.88 0.68 2qb8A1 ASP 140 H 0.01 0.63 0.38 -0.55 8.40 8.87 2qb8A1 ASP 140 HA 0.00 0.13 0.67 -0.75 4.63 4.68 2qb8A1 ASP 140 HB2 -0.00 -0.02 0.11 -0.04 2.71 2.75 2qb8A1 ASP 140 HB3 -0.00 -0.03 -0.00 -0.04 2.70 2.62 2qb8A1 ASN 141 H -0.03 0.26 0.16 -0.55 8.53 8.38 2qb8A1 ASN 141 HA -0.03 0.18 0.83 -0.75 4.76 4.99 2qb8A1 ASN 141 HB2 -0.05 -0.06 -0.05 -0.04 2.88 2.68 2qb8A1 ASN 141 HB3 -0.04 0.08 -0.06 -0.04 2.79 2.73 2qb8A1 ASN 141 HD21 -0.00 0.04 -0.13 -0.04 7.03 6.89 2qb8A1 ASN 141 HD22 -0.01 -0.04 -0.15 -0.04 7.74 7.49 2qb8A1 VAL 142 H -0.14 0.15 0.11 -0.55 8.24 7.81 2qb8A1 VAL 142 HA -0.21 0.26 0.94 -0.75 4.13 4.36 2qb8A1 VAL 142 HB -0.61 -0.05 0.12 -0.04 2.12 1.53 2qb8A1 VAL 142 HG13 -0.29 0.01 -0.16 -0.04 0.97 0.50 2qb8A1 VAL 142 HG23 -0.49 -0.01 -0.08 -0.04 0.95 0.33 2qb8A1 VAL 143 H -0.33 0.60 0.25 -0.55 8.24 8.20 2qb8A1 VAL 143 HA -0.16 0.20 0.89 -0.75 4.13 4.31 2qb8A1 VAL 143 HB -0.28 0.05 0.03 -0.04 2.12 1.88 2qb8A1 VAL 143 HG13 -0.13 -0.01 -0.21 -0.04 0.97 0.58 2qb8A1 VAL 143 HG23 -0.94 0.02 -0.22 -0.04 0.95 -0.24 2qb8A1 GLY 144 H -0.33 0.21 0.25 -0.55 8.43 8.01 2qb8A1 GLY 144 HA2 -0.04 0.17 0.46 -0.51 4.01 4.09 2qb8A1 GLY 144 HA3 0.05 0.12 0.11 -0.51 4.01 3.78 2qb8A1 ILE 145 H -0.00 0.74 0.13 -0.55 8.25 8.56 2qb8A1 ILE 145 HA -0.01 0.27 0.98 -0.75 4.18 4.67 2qb8A1 ILE 145 HB -0.00 -0.02 0.02 -0.04 1.89 1.85 2qb8A1 ILE 145 HG12 -0.02 -0.01 -0.06 -0.04 1.49 1.36 2qb8A1 ILE 145 HG13 -0.05 -0.07 -0.61 -0.04 1.21 0.44 2qb8A1 ILE 145 HG23 0.02 0.01 -0.20 -0.04 0.93 0.72 2qb8A1 ILE 145 HD13 0.06 0.00 -0.07 -0.04 0.88 0.84 2qb8A1 ILE 146 H 0.01 0.65 0.34 -0.55 8.25 8.70 2qb8A1 ILE 146 HA -0.02 0.30 0.68 -0.75 4.18 4.40 2qb8A1 ILE 146 HB 0.07 -0.07 0.13 -0.04 1.89 1.98 2qb8A1 ILE 146 HG12 -0.18 0.07 0.04 -0.04 1.49 1.37 2qb8A1 ILE 146 HG13 -0.02 -0.00 -0.39 -0.04 1.21 0.76 2qb8A1 ILE 146 HG23 0.01 -0.03 -0.18 -0.04 0.93 0.68 2qb8A1 ILE 146 HD13 -0.28 0.01 -0.07 -0.04 0.88 0.49 2qb8A1 ASP 147 H 0.04 0.76 0.33 -0.55 8.40 8.98 2qb8A1 ASP 147 HA 0.15 -0.11 0.77 -0.75 4.63 4.68 2qb8A1 ASP 147 HB2 0.11 0.24 -0.51 -0.04 2.71 2.51 2qb8A1 ASP 147 HB3 0.10 0.11 -0.20 -0.04 2.70 2.67 2qb8A1 HIS 148 H 0.34 0.04 0.08 -0.55 8.41 8.32 2qb8A1 HIS 148 HA -0.02 0.34 0.68 -0.75 4.63 4.88 2qb8A1 HIS 148 HB2 -0.06 0.02 0.19 -0.04 3.26 3.37 2qb8A1 HIS 148 HB3 -0.02 -0.04 -0.20 -0.04 3.20 2.89 2qb8A1 HIS 148 HD2 -0.12 -0.08 0.00 -0.04 6.97 6.73 2qb8A1 HIS 148 HE1 -0.06 0.27 0.00 -0.04 7.75 7.92 2qb8A1 HIS 149 H 0.16 -0.01 -0.05 -0.55 8.41 7.97 2qb8A1 HIS 149 HA -0.07 0.19 0.75 -0.75 4.63 4.74 2qb8A1 HIS 149 HB2 0.06 -0.05 -0.05 -0.04 3.26 3.18 2qb8A1 HIS 149 HB3 0.07 0.06 0.07 -0.04 3.20 3.36 2qb8A1 HIS 149 HD2 -0.03 0.02 0.03 -0.04 6.97 6.95 2qb8A1 HIS 149 HE1 0.15 -0.03 0.07 -0.04 7.75 7.90 2qb8A1 PHE 150 H 0.27 0.11 0.07 -0.55 8.34 8.23 2qb8A1 PHE 150 HA 0.02 0.03 0.37 -0.75 4.62 4.29 2qb8A1 PHE 150 HB2 -0.00 0.04 0.09 -0.04 3.15 3.24 2qb8A1 PHE 150 HB3 0.03 -0.04 0.05 -0.04 3.06 3.06 2qb8A1 PHE 150 HD2 0.00 -0.06 -0.14 -0.04 7.28 7.04 2qb8A1 PHE 150 HE2 -0.01 0.00 -0.09 -0.04 7.38 7.24 2qb8A1 PHE 150 HZ -0.02 0.02 -0.06 -0.04 7.32 7.23 2qb8A1 ASP 151 H -0.52 0.14 0.10 -0.55 8.40 7.58 2qb8A1 ASP 151 HA -0.17 0.02 0.51 -0.75 4.63 4.24 2qb8A1 ASP 151 HB2 -0.17 0.06 0.07 -0.04 2.71 2.63 2qb8A1 ASP 151 HB3 -0.31 0.03 0.15 -0.04 2.70 2.53 2qb8A1 LEU 152 H -0.10 0.16 0.12 -0.55 8.37 8.00 2qb8A1 LEU 152 HA -0.07 0.15 0.43 -0.75 4.35 4.10 2qb8A1 LEU 152 HB2 0.01 -0.03 -0.04 -0.04 1.64 1.55 2qb8A1 LEU 152 HB3 0.04 0.05 0.06 -0.04 1.64 1.75 2qb8A1 LEU 152 HG 0.09 0.07 -0.04 -0.04 1.64 1.72 2qb8A1 LEU 152 HD13 0.11 -0.02 -0.06 -0.04 0.93 0.91 2qb8A1 LEU 152 HD23 0.26 0.02 -0.08 -0.04 0.89 1.05 2qb8A1 GLN 153 H -0.12 -0.01 -0.41 -0.55 8.47 7.38 2qb8A1 GLN 153 HA -0.07 0.04 0.17 -0.75 4.36 3.75 2qb8A1 GLN 153 HB2 -0.05 0.14 -0.06 -0.04 2.15 2.14 2qb8A1 GLN 153 HB3 -0.05 -0.01 0.13 -0.04 2.02 2.04 2qb8A1 GLN 153 HG2 -0.15 0.13 -0.29 -0.04 2.40 2.05 2qb8A1 GLN 153 HG3 -0.07 0.00 -0.08 -0.04 2.39 2.21 2qb8A1 GLN 153 HE21 -0.10 -0.02 -0.01 -0.04 6.97 6.80 2qb8A1 GLN 153 HE22 -0.16 0.05 -0.01 -0.04 7.69 7.53 2qb8A1 LYS 154 H -0.06 0.00 -0.26 -0.55 8.42 7.55 2qb8A1 LYS 154 HA -0.18 0.17 0.82 -0.75 4.32 4.37 2qb8A1 LYS 154 HB2 -0.16 0.02 -0.00 -0.04 1.87 1.69 2qb8A1 LYS 154 HB3 -0.79 -0.03 0.07 -0.04 1.79 1.00 2qb8A1 LYS 154 HG2 -0.16 0.03 -0.01 -0.04 1.46 1.27 2qb8A1 LYS 154 HG3 -0.09 0.14 -0.25 -0.04 1.46 1.22 2qb8A1 LYS 154 HD2 -0.03 0.04 -0.03 -0.04 1.69 1.63 2qb8A1 LYS 154 HD3 -0.03 -0.07 -0.03 -0.04 1.68 1.51 2qb8A1 LYS 154 HE2 -0.17 -0.03 0.02 -0.04 2.99 2.77 2qb8A1 LYS 154 HE3 -0.11 0.03 0.01 -0.04 2.99 2.88 2qb8A1 HIS 155 H -0.36 0.15 0.13 -0.55 8.41 7.78 2qb8A1 HIS 155 HA -0.02 0.02 0.35 -0.75 4.63 4.23 2qb8A1 HIS 155 HB2 -0.02 0.16 0.01 -0.04 3.26 3.37 2qb8A1 HIS 155 HB3 -0.03 0.06 0.08 -0.04 3.20 3.26 2qb8A1 HIS 155 HD2 -0.01 0.29 -0.13 -0.04 6.97 7.07 2qb8A1 HIS 155 HE1 -0.01 0.07 0.01 -0.04 7.75 7.79 2qb8A1 LEU 156 H -0.01 0.09 -0.10 -0.55 8.37 7.80 2qb8A1 LEU 156 HA 0.00 0.15 0.24 -0.75 4.35 3.99 2qb8A1 LEU 156 HB2 -0.01 -0.03 0.00 -0.04 1.64 1.56 2qb8A1 LEU 156 HB3 -0.01 0.03 0.04 -0.04 1.64 1.66 2qb8A1 LEU 156 HG -0.04 -0.06 -0.30 -0.04 1.64 1.20 2qb8A1 LEU 156 HD13 -0.03 0.01 -0.01 -0.04 0.93 0.87 2qb8A1 LEU 156 HD23 -0.03 0.00 -0.14 -0.04 0.89 0.68 2qb8A1 ASP 157 H 0.02 -0.05 -0.39 -0.55 8.40 7.43 2qb8A1 ASP 157 HA 0.01 0.19 0.69 -0.75 4.63 4.77 2qb8A1 ASP 157 HB2 0.01 0.04 0.09 -0.04 2.71 2.80 2qb8A1 ASP 157 HB3 0.01 -0.05 0.00 -0.04 2.70 2.62 2qb8A1 ALA 158 H 0.03 0.31 -0.40 -0.55 8.40 7.79 2qb8A1 ALA 158 HA -0.03 0.10 0.17 -0.75 4.34 3.83 2qb8A1 ALA 158 HB3 -0.01 -0.06 -0.09 -0.04 1.41 1.22 2qb8A1 GLU 159 H -0.02 0.76 0.36 -0.55 8.60 9.16 2qb8A1 GLU 159 HA 0.02 -0.07 0.63 -0.75 4.29 4.11 2qb8A1 GLU 159 HB2 0.02 0.08 -0.05 -0.04 2.09 2.10 2qb8A1 GLU 159 HB3 0.04 0.03 0.18 -0.04 1.99 2.20 2qb8A1 GLU 159 HG2 0.05 -0.02 -0.02 -0.04 2.34 2.31 2qb8A1 GLU 159 HG3 0.08 0.01 -0.22 -0.04 2.34 2.17 2qb8A1 PRO 160 HA -0.01 0.11 0.33 -0.51 4.44 4.36 2qb8A1 PRO 160 HB2 -0.27 -0.00 -0.01 -0.04 2.28 1.96 2qb8A1 PRO 160 HB3 -0.18 0.05 0.08 -0.04 2.02 1.93 2qb8A1 PRO 160 HG2 -0.13 -0.04 -0.08 -0.04 2.03 1.74 2qb8A1 PRO 160 HG3 -0.74 0.03 0.01 -0.04 2.03 1.28 2qb8A1 PRO 160 HD2 0.33 0.10 0.45 -0.04 3.68 4.52 2qb8A1 PRO 160 HD3 0.15 0.12 0.09 -0.04 3.65 3.96 2qb8A1 ARG 161 H -0.04 0.17 0.00 -0.55 8.46 8.04 2qb8A1 ARG 161 HA -0.03 0.13 0.50 -0.75 4.34 4.20 2qb8A1 ARG 161 HB2 -0.01 0.31 -0.12 -0.04 1.90 2.05 2qb8A1 ARG 161 HB3 -0.01 -0.03 0.17 -0.04 1.80 1.88 2qb8A1 ARG 161 HG2 -0.01 -0.13 -0.19 -0.04 1.67 1.29 2qb8A1 ARG 161 HG3 0.00 -0.02 -0.01 -0.04 1.67 1.60 2qb8A1 ARG 161 HD2 0.01 0.11 0.01 -0.04 3.22 3.32 2qb8A1 ARG 161 HD3 -0.01 -0.05 -0.01 -0.04 3.22 3.11 2qb8A1 ILE 162 H -0.05 0.72 0.10 -0.55 8.25 8.47 2qb8A1 ILE 162 HA -0.03 0.16 0.83 -0.75 4.18 4.39 2qb8A1 ILE 162 HB -0.08 -0.04 0.23 -0.04 1.89 1.96 2qb8A1 ILE 162 HG12 -0.05 0.05 -0.04 -0.04 1.49 1.41 2qb8A1 ILE 162 HG13 -0.11 -0.07 -0.27 -0.04 1.21 0.72 2qb8A1 ILE 162 HG23 -0.02 -0.01 -0.09 -0.04 0.93 0.77 2qb8A1 ILE 162 HD13 -0.19 0.01 -0.02 -0.04 0.88 0.64 2qb8A1 VAL 163 H -0.01 0.33 -0.05 -0.55 8.24 7.96 2qb8A1 VAL 163 HA 0.03 0.21 0.67 -0.75 4.13 4.28 2qb8A1 VAL 163 HB -0.02 0.02 0.08 -0.04 2.12 2.15 2qb8A1 VAL 163 HG13 0.01 -0.07 -0.22 -0.04 0.97 0.65 2qb8A1 VAL 163 HG23 0.00 -0.01 -0.34 -0.04 0.95 0.57 2qb8A1 LYS 164 H 0.04 0.56 0.19 -0.55 8.42 8.66 2qb8A1 LYS 164 HA 0.01 0.17 0.83 -0.75 4.32 4.57 2qb8A1 LYS 164 HB2 0.02 -0.03 -0.09 -0.04 1.87 1.74 2qb8A1 LYS 164 HB3 0.02 0.00 0.04 -0.04 1.79 1.81 2qb8A1 LYS 164 HG2 0.00 0.15 -0.13 -0.04 1.46 1.44 2qb8A1 LYS 164 HG3 0.00 -0.15 -0.38 -0.04 1.46 0.90 2qb8A1 LYS 164 HD2 0.01 -0.04 -0.06 -0.04 1.69 1.56 2qb8A1 LYS 164 HD3 0.01 -0.01 -0.02 -0.04 1.68 1.62 2qb8A1 LYS 164 HE2 -0.01 -0.00 -0.01 -0.04 2.99 2.93 2qb8A1 LYS 164 HE3 0.00 0.01 -0.01 -0.04 2.99 2.95 2qb8A1 VAL 165 H 0.02 0.13 0.12 -0.55 8.24 7.96 2qb8A1 VAL 165 HA 0.04 0.13 0.45 -0.75 4.13 3.99 2qb8A1 VAL 165 HB 0.02 0.03 0.01 -0.04 2.12 2.14 2qb8A1 VAL 165 HG13 0.02 0.02 0.02 -0.04 0.97 0.99 2qb8A1 VAL 165 HG23 0.02 -0.02 0.02 -0.04 0.95 0.93 2qb8A1 SER 166 H 0.10 0.39 0.17 -0.55 8.46 8.57 2qb8A1 SER 166 HA 0.04 -0.10 0.48 -0.75 4.49 4.16 2qb8A1 SER 166 HB2 0.04 0.19 -0.36 -0.04 3.95 3.77 2qb8A1 SER 166 HB3 0.01 -0.04 -0.29 -0.04 3.93 3.57 2qb8A1 GLY 167 H 0.04 -0.04 0.18 -0.55 8.43 8.06 2qb8A1 GLY 167 HA2 0.07 0.19 0.62 -0.51 4.01 4.38 2qb8A1 GLY 167 HA3 0.04 0.04 0.34 -0.51 4.01 3.92 2qb8A1 SER 168 H -0.02 0.04 -0.11 -0.55 8.46 7.82 2qb8A1 SER 168 HA -0.12 0.23 0.79 -0.75 4.49 4.64 2qb8A1 SER 168 HB2 -0.00 0.19 -0.18 -0.04 3.95 3.92 2qb8A1 SER 168 HB3 -0.03 -0.12 -0.00 -0.04 3.93 3.73 2qb8A1 CYS 169 H -0.75 0.24 0.07 -0.55 8.50 7.51 2qb8A1 CYS 169 HA -0.32 0.14 0.38 -0.75 4.58 4.03 2qb8A1 CYS 169 HB2 -0.33 0.01 0.10 -0.04 2.97 2.72 2qb8A1 CYS 169 HB3 -0.08 0.03 -0.00 -0.04 2.97 2.88 2qb8A1 SER 170 H -0.07 0.06 -0.27 -0.55 8.46 7.64 2qb8A1 SER 170 HA 0.08 0.12 0.26 -0.75 4.49 4.20 2qb8A1 SER 170 HB2 0.02 0.00 0.02 -0.04 3.95 3.95 2qb8A1 SER 170 HB3 0.04 0.00 -0.04 -0.04 3.93 3.90 2qb8A1 SER 171 H -0.01 0.15 -0.45 -0.55 8.46 7.60 2qb8A1 SER 171 HA 0.09 0.09 0.36 -0.75 4.49 4.28 2qb8A1 SER 171 HB2 0.00 0.07 -0.06 -0.04 3.95 3.93 2qb8A1 SER 171 HB3 0.04 0.11 -0.39 -0.04 3.93 3.64 2qb8A1 LEU 172 H 0.02 0.23 -0.20 -0.55 8.37 7.87 2qb8A1 LEU 172 HA 0.06 0.05 0.47 -0.75 4.35 4.17 2qb8A1 LEU 172 HB2 0.02 0.10 0.03 -0.04 1.64 1.75 2qb8A1 LEU 172 HB3 0.02 0.04 -0.05 -0.04 1.64 1.60 2qb8A1 LEU 172 HG -0.01 -0.08 -0.04 -0.04 1.64 1.47 2qb8A1 LEU 172 HD13 0.02 0.01 -0.18 -0.04 0.93 0.74 2qb8A1 LEU 172 HD23 0.02 0.02 -0.08 -0.04 0.89 0.80 2qb8A1 VAL 173 H 0.11 0.44 -0.15 -0.55 8.24 8.09 2qb8A1 VAL 173 HA 0.20 0.09 0.45 -0.75 4.13 4.10 2qb8A1 VAL 173 HB 0.21 0.00 0.09 -0.04 2.12 2.38 2qb8A1 VAL 173 HG13 0.40 0.04 -0.15 -0.04 0.97 1.22 2qb8A1 VAL 173 HG23 0.19 0.02 -0.05 -0.04 0.95 1.07 2qb8A1 PHE 174 H 0.30 0.55 -0.15 -0.55 8.34 8.49 2qb8A1 PHE 174 HA 0.19 0.06 0.27 -0.75 4.62 4.38 2qb8A1 PHE 174 HB2 0.09 -0.01 0.05 -0.04 3.15 3.23 2qb8A1 PHE 174 HB3 0.06 0.03 0.15 -0.04 3.06 3.25 2qb8A1 PHE 174 HD2 0.04 -0.00 -0.09 -0.04 7.28 7.19 2qb8A1 PHE 174 HE2 -0.05 0.02 -0.07 -0.04 7.38 7.24 2qb8A1 PHE 174 HZ 0.13 0.04 -0.13 -0.04 7.32 7.32 2qb8A1 ASN 175 H 0.18 0.52 -0.17 -0.55 8.53 8.52 2qb8A1 ASN 175 HA -0.16 0.01 0.29 -0.75 4.76 4.15 2qb8A1 ASN 175 HB2 0.06 0.05 0.14 -0.04 2.88 3.09 2qb8A1 ASN 175 HB3 0.00 -0.01 -0.02 -0.04 2.79 2.72 2qb8A1 ASN 175 HD21 0.06 0.09 0.11 -0.04 7.03 7.25 2qb8A1 ASN 175 HD22 0.05 -0.11 -0.02 -0.04 7.74 7.63 2qb8A1 TYR 176 H 0.10 0.45 -0.23 -0.55 8.29 8.06 2qb8A1 TYR 176 HA -0.21 0.01 0.41 -0.75 4.56 4.02 2qb8A1 TYR 176 HB2 -0.17 -0.02 0.12 -0.04 3.06 2.95 2qb8A1 TYR 176 HB3 -0.26 0.12 0.17 -0.04 2.98 2.97 2qb8A1 TYR 176 HD2 -0.93 -0.01 -0.05 -0.04 7.15 6.13 2qb8A1 TYR 176 HE2 -0.93 0.02 -0.04 -0.04 6.85 5.86 2qb8A1 TRP 177 H 0.05 0.50 -0.21 -0.55 7.97 7.76 2qb8A1 TRP 177 HA -0.48 0.08 0.41 -0.75 4.62 3.87 2qb8A1 TRP 177 HB2 -0.16 0.09 0.07 -0.04 3.23 3.19 2qb8A1 TRP 177 HB3 -0.25 -0.04 -0.06 -0.04 3.23 2.84 2qb8A1 TRP 177 HD1 -0.11 0.02 -0.08 -0.04 7.22 7.00 2qb8A1 TRP 177 HE1 -1.95 -0.05 -0.03 -0.04 10.20 8.12 2qb8A1 TRP 177 HE3 -0.50 -0.07 -0.05 -0.04 7.59 6.94 2qb8A1 TRP 177 HZ2 -0.69 0.01 -0.06 -0.04 7.44 6.66 2qb8A1 TRP 177 HZ3 -0.96 0.05 -0.10 -0.04 7.13 6.08 2qb8A1 TRP 177 HH2 -0.31 0.07 -0.06 -0.04 7.19 6.85 2qb8A1 TYR 178 H -0.15 0.73 -0.03 -0.55 8.29 8.28 2qb8A1 TYR 178 HA -0.26 -0.04 0.40 -0.75 4.56 3.92 2qb8A1 TYR 178 HB2 -0.99 0.06 0.04 -0.04 3.06 2.13 2qb8A1 TYR 178 HB3 -0.36 0.09 0.10 -0.04 2.98 2.77 2qb8A1 TYR 178 HD2 -0.20 0.03 -0.20 -0.04 7.15 6.73 2qb8A1 TYR 178 HE2 0.04 0.04 -0.09 -0.04 6.85 6.81 2qb8A1 GLU 179 H -0.08 0.51 -0.23 -0.55 8.60 8.26 2qb8A1 GLU 179 HA -0.04 0.00 0.44 -0.75 4.29 3.94 2qb8A1 GLU 179 HB2 -0.22 0.14 0.13 -0.04 2.09 2.10 2qb8A1 GLU 179 HB3 -0.10 -0.02 0.02 -0.04 1.99 1.85 2qb8A1 GLU 179 HG2 -0.01 0.18 0.09 -0.04 2.34 2.56 2qb8A1 GLU 179 HG3 -0.06 -0.04 0.01 -0.04 2.34 2.21 2qb8A1 LYS 180 H -0.36 0.34 -0.11 -0.55 8.42 7.74 2qb8A1 LYS 180 HA -0.19 0.06 0.43 -0.75 4.32 3.86 2qb8A1 LYS 180 HB2 -0.46 0.05 0.12 -0.04 1.87 1.54 2qb8A1 LYS 180 HB3 -0.61 0.02 0.01 -0.04 1.79 1.17 2qb8A1 LYS 180 HG2 -0.55 -0.01 0.03 -0.04 1.46 0.88 2qb8A1 LYS 180 HG3 -0.89 0.09 0.09 -0.04 1.46 0.71 2qb8A1 LYS 180 HD2 -1.54 -0.06 -0.04 -0.04 1.69 0.02 2qb8A1 LYS 180 HD3 -2.11 -0.03 -0.06 -0.04 1.68 -0.56 2qb8A1 LYS 180 HE2 -0.83 -0.01 -0.05 -0.04 2.99 2.05 2qb8A1 LYS 180 HE3 -1.37 0.03 -0.05 -0.04 2.99 1.56 2qb8A1 LEU 181 H -0.21 0.39 -0.37 -0.55 8.37 7.63 2qb8A1 LEU 181 HA -0.67 0.17 0.75 -0.75 4.35 3.84 2qb8A1 LEU 181 HB2 -0.28 -0.00 0.06 -0.04 1.64 1.38 2qb8A1 LEU 181 HB3 -0.42 -0.14 0.15 -0.04 1.64 1.18 2qb8A1 LEU 181 HG -0.12 0.06 -0.10 -0.04 1.64 1.44 2qb8A1 LEU 181 HD13 -0.20 -0.03 -0.10 -0.04 0.93 0.56 2qb8A1 LEU 181 HD23 -0.74 0.01 -0.05 -0.04 0.89 0.08 2qb8A1 GLN 182 H -0.15 0.45 -0.43 -0.55 8.47 7.80 2qb8A1 GLN 182 HA -0.13 0.07 0.35 -0.75 4.36 3.90 2qb8A1 GLN 182 HB2 0.04 0.03 0.02 -0.04 2.15 2.20 2qb8A1 GLN 182 HB3 -0.02 -0.05 0.16 -0.04 2.02 2.07 2qb8A1 GLN 182 HG2 0.01 0.06 0.03 -0.04 2.40 2.45 2qb8A1 GLN 182 HG3 0.11 0.04 -0.25 -0.04 2.39 2.25 2qb8A1 GLN 182 HE21 0.00 -0.02 0.01 -0.04 6.97 6.92 2qb8A1 GLN 182 HE22 0.00 -0.02 0.03 -0.04 7.69 7.66 2qb8A1 GLY 183 H -0.59 0.55 -0.19 -0.55 8.43 7.65 2qb8A1 GLY 183 HA2 -1.82 -0.05 0.20 -0.51 4.01 1.83 2qb8A1 GLY 183 HA3 -0.62 0.03 0.17 -0.51 4.01 3.08 2qb8A1 ASP 184 H -0.22 0.37 -0.34 -0.55 8.40 7.66 2qb8A1 ASP 184 HA -0.02 0.02 0.33 -0.75 4.63 4.21 2qb8A1 ASP 184 HB2 0.00 0.34 0.16 -0.04 2.71 3.17 2qb8A1 ASP 184 HB3 -0.07 -0.11 0.13 -0.04 2.70 2.61 2qb8A1 ARG 185 H 0.01 0.17 0.23 -0.55 8.46 8.32 2qb8A1 ARG 185 HA 0.07 0.10 0.35 -0.75 4.34 4.11 2qb8A1 ARG 185 HB2 0.03 -0.03 0.15 -0.04 1.90 2.01 2qb8A1 ARG 185 HB3 0.05 0.03 0.09 -0.04 1.80 1.92 2qb8A1 ARG 185 HG2 0.06 0.05 0.09 -0.04 1.67 1.82 2qb8A1 ARG 185 HG3 0.02 0.04 0.14 -0.04 1.67 1.83 2qb8A1 ARG 185 HD2 0.03 0.02 0.03 -0.04 3.22 3.26 2qb8A1 ARG 185 HD3 0.02 -0.02 0.05 -0.04 3.22 3.23 2qb8A1 GLU 186 H 0.04 0.09 -0.09 -0.55 8.60 8.10 2qb8A1 GLU 186 HA 0.05 0.11 0.50 -0.75 4.29 4.19 2qb8A1 GLU 186 HB2 0.03 -0.00 0.10 -0.04 2.09 2.18 2qb8A1 GLU 186 HB3 0.05 0.01 0.01 -0.04 1.99 2.02 2qb8A1 GLU 186 HG2 0.07 0.00 -0.09 -0.04 2.34 2.28 2qb8A1 GLU 186 HG3 0.04 -0.01 0.04 -0.04 2.34 2.37 2qb8A1 VAL 187 H 0.05 0.11 -0.29 -0.55 8.24 7.56 2qb8A1 VAL 187 HA 0.18 0.08 0.33 -0.75 4.13 3.97 2qb8A1 VAL 187 HB 0.01 0.13 0.06 -0.04 2.12 2.29 2qb8A1 VAL 187 HG13 0.10 -0.01 -0.20 -0.04 0.97 0.82 2qb8A1 VAL 187 HG23 -0.05 0.01 -0.02 -0.04 0.95 0.85 2qb8A1 VAL 188 H 0.12 0.54 -0.14 -0.55 8.24 8.22 2qb8A1 VAL 188 HA 0.32 -0.05 0.30 -0.75 4.13 3.95 2qb8A1 VAL 188 HB 0.17 0.11 0.09 -0.04 2.12 2.45 2qb8A1 VAL 188 HG13 0.22 -0.01 -0.13 -0.04 0.97 1.01 2qb8A1 VAL 188 HG23 0.39 0.07 -0.12 -0.04 0.95 1.24 2qb8A1 MET 189 H 0.08 0.62 -0.15 -0.55 8.47 8.47 2qb8A1 MET 189 HA 0.03 -0.03 0.39 -0.75 4.52 4.16 2qb8A1 MET 189 HB2 0.04 0.13 0.17 -0.04 2.15 2.45 2qb8A1 MET 189 HB3 0.02 -0.04 -0.01 -0.04 2.03 1.95 2qb8A1 MET 189 HG2 0.02 -0.04 -0.01 -0.04 2.63 2.56 2qb8A1 MET 189 HG3 0.05 0.16 0.07 -0.04 2.56 2.79 2qb8A1 MET 189 HE3 0.03 -0.01 -0.05 -0.04 2.10 2.03 2qb8A1 ASN 190 H 0.07 0.50 -0.23 -0.55 8.53 8.33 2qb8A1 ASN 190 HA -0.02 0.03 0.45 -0.75 4.76 4.46 2qb8A1 ASN 190 HB2 0.11 0.13 0.17 -0.04 2.88 3.25 2qb8A1 ASN 190 HB3 -0.12 -0.18 0.10 -0.04 2.79 2.55 2qb8A1 ASN 190 HD21 0.12 0.03 -0.12 -0.04 7.03 7.01 2qb8A1 ASN 190 HD22 0.26 0.03 -0.08 -0.04 7.74 7.92 2qb8A1 ILE 191 H 0.06 0.45 -0.19 -0.55 8.25 8.02 2qb8A1 ILE 191 HA -0.06 0.15 0.92 -0.75 4.18 4.44 2qb8A1 ILE 191 HB 0.07 -0.14 0.08 -0.04 1.89 1.86 2qb8A1 ILE 191 HG12 0.20 0.26 0.04 -0.04 1.49 1.95 2qb8A1 ILE 191 HG13 0.16 -0.13 -0.25 -0.04 1.21 0.94 2qb8A1 ILE 191 HG23 0.04 0.04 -0.10 -0.04 0.93 0.87 2qb8A1 ILE 191 HD13 0.40 -0.02 -0.13 -0.04 0.88 1.09 2qb8A1 ALA 192 H 0.01 0.50 -0.07 -0.55 8.40 8.29 2qb8A1 ALA 192 HA -0.08 -0.10 0.19 -0.75 4.34 3.59 2qb8A1 ALA 192 HB3 -0.04 0.05 0.07 -0.04 1.41 1.45 2qb8A1 PRO 193 HA -0.14 0.03 0.47 -0.51 4.44 4.30 2qb8A1 PRO 193 HB2 -0.05 0.05 -0.04 -0.04 2.28 2.20 2qb8A1 PRO 193 HB3 -0.23 0.04 0.03 -0.04 2.02 1.82 2qb8A1 PRO 193 HG2 -0.08 0.14 0.01 -0.04 2.03 2.06 2qb8A1 PRO 193 HG3 -0.14 0.04 0.03 -0.04 2.03 1.92 2qb8A1 PRO 193 HD2 -0.04 0.13 -0.31 -0.04 3.68 3.42 2qb8A1 PRO 193 HD3 -0.05 0.23 0.08 -0.04 3.65 3.87 2qb8A1 LEU 194 H 0.01 0.31 -0.24 -0.55 8.37 7.91 2qb8A1 LEU 194 HA 0.10 0.05 0.44 -0.75 4.35 4.18 2qb8A1 LEU 194 HB2 0.02 0.07 0.08 -0.04 1.64 1.77 2qb8A1 LEU 194 HB3 0.03 0.13 0.15 -0.04 1.64 1.91 2qb8A1 LEU 194 HG 0.06 -0.12 -0.07 -0.04 1.64 1.47 2qb8A1 LEU 194 HD13 0.06 -0.01 -0.05 -0.04 0.93 0.89 2qb8A1 LEU 194 HD23 0.03 0.02 -0.02 -0.04 0.89 0.88 2qb8A1 LEU 195 H 0.02 0.71 -0.01 -0.55 8.37 8.54 2qb8A1 LEU 195 HA 0.04 -0.07 0.33 -0.75 4.35 3.88 2qb8A1 LEU 195 HB2 -0.00 0.03 -0.00 -0.04 1.64 1.62 2qb8A1 LEU 195 HB3 -0.09 0.14 0.04 -0.04 1.64 1.68 2qb8A1 LEU 195 HG -0.16 -0.05 -0.47 -0.04 1.64 0.92 2qb8A1 LEU 195 HD13 -0.01 -0.05 -0.18 -0.04 0.93 0.64 2qb8A1 LEU 195 HD23 -0.85 0.02 -0.11 -0.04 0.89 -0.10 2qb8A1 MET 196 H 0.03 0.88 -0.09 -0.55 8.47 8.75 2qb8A1 MET 196 HA 0.04 -0.09 0.41 -0.75 4.52 4.13 2qb8A1 MET 196 HB2 0.14 0.18 0.11 -0.04 2.15 2.55 2qb8A1 MET 196 HB3 0.21 -0.06 -0.01 -0.04 2.03 2.13 2qb8A1 MET 196 HG2 -0.02 -0.11 -0.02 -0.04 2.63 2.44 2qb8A1 MET 196 HG3 -0.06 0.06 0.04 -0.04 2.56 2.55 2qb8A1 MET 196 HE3 0.04 -0.01 -0.05 -0.04 2.10 2.03 2qb8A1 GLY 197 H 0.26 0.54 -0.34 -0.55 8.43 8.33 2qb8A1 GLY 197 HA2 -0.07 0.02 0.42 -0.51 4.01 3.87 2qb8A1 GLY 197 HA3 0.11 0.12 0.31 -0.51 4.01 4.04 2qb8A1 ALA 198 H 0.07 0.48 -0.21 -0.55 8.40 8.19 2qb8A1 ALA 198 HA 0.05 -0.03 0.39 -0.75 4.34 4.00 2qb8A1 ALA 198 HB3 0.04 0.01 0.02 -0.04 1.41 1.45 2qb8A1 ILE 199 H 0.03 0.66 -0.01 -0.55 8.25 8.39 2qb8A1 ILE 199 HA 0.01 -0.10 0.23 -0.75 4.18 3.56 2qb8A1 ILE 199 HB 0.00 0.12 0.07 -0.04 1.89 2.04 2qb8A1 ILE 199 HG12 -0.01 -0.22 -0.05 -0.04 1.49 1.17 2qb8A1 ILE 199 HG13 -0.01 0.24 -0.01 -0.04 1.21 1.38 2qb8A1 ILE 199 HG23 -0.02 -0.02 -0.13 -0.04 0.93 0.73 2qb8A1 ILE 199 HD13 -0.08 0.02 -0.16 -0.04 0.88 0.62 2qb8A1 LEU 200 H 0.05 0.75 -0.16 -0.55 8.37 8.47 2qb8A1 LEU 200 HA -0.01 -0.08 0.33 -0.75 4.35 3.83 2qb8A1 LEU 200 HB2 0.10 0.19 0.10 -0.04 1.64 1.98 2qb8A1 LEU 200 HB3 0.11 -0.06 0.04 -0.04 1.64 1.70 2qb8A1 LEU 200 HG 0.09 0.08 0.07 -0.04 1.64 1.83 2qb8A1 LEU 200 HD13 0.19 0.01 -0.04 -0.04 0.93 1.05 2qb8A1 LEU 200 HD23 -0.02 -0.03 -0.12 -0.04 0.89 0.68 2qb8A1 ILE 201 H 0.07 0.47 -0.19 -0.55 8.25 8.05 2qb8A1 ILE 201 HA 0.22 0.07 0.51 -0.75 4.18 4.23 2qb8A1 ILE 201 HB 0.02 0.11 0.16 -0.04 1.89 2.13 2qb8A1 ILE 201 HG12 0.01 -0.05 0.03 -0.04 1.49 1.43 2qb8A1 ILE 201 HG13 0.05 0.01 0.06 -0.04 1.21 1.29 2qb8A1 ILE 201 HG23 0.05 -0.00 0.09 -0.04 0.93 1.02 2qb8A1 ILE 201 HD13 -0.08 0.00 -0.03 -0.04 0.88 0.74 2qb8A1 ASP 202 H 0.06 0.53 -0.14 -0.55 8.40 8.31 2qb8A1 ASP 202 HA 0.07 0.05 0.39 -0.75 4.63 4.38 2qb8A1 ASP 202 HB2 0.04 0.02 0.05 -0.04 2.71 2.78 2qb8A1 ASP 202 HB3 0.07 0.23 -0.02 -0.04 2.70 2.95 2qb8A1 THR 203 H 0.03 0.30 -0.31 -0.55 8.28 7.75 2qb8A1 THR 203 HA 0.01 0.39 0.86 -0.75 4.39 4.89 2qb8A1 THR 203 HB -0.03 -0.07 0.17 -0.04 4.32 4.35 2qb8A1 THR 203 HG23 0.00 -0.00 -0.10 -0.04 1.22 1.08 2qb8A1 SER 204 H 0.05 0.37 -0.34 -0.55 8.46 8.00 2qb8A1 SER 204 HA 0.13 0.09 0.34 -0.75 4.49 4.30 2qb8A1 SER 204 HB2 -0.02 0.01 -0.04 -0.04 3.95 3.85 2qb8A1 SER 204 HB3 0.04 0.00 0.12 -0.04 3.93 4.05 2qb8A1 ASN 205 H -0.32 0.65 0.07 -0.55 8.53 8.39 2qb8A1 ASN 205 HA -0.33 -0.06 0.28 -0.75 4.76 3.89 2qb8A1 ASN 205 HB2 -1.91 -0.04 -0.14 -0.04 2.88 0.75 2qb8A1 ASN 205 HB3 -0.54 0.15 0.12 -0.04 2.79 2.49 2qb8A1 ASN 205 HD21 -0.06 -0.03 -0.02 -0.04 7.03 6.88 2qb8A1 ASN 205 HD22 -0.17 0.03 0.01 -0.04 7.74 7.58 2qb8A1 MET 206 H -0.11 0.01 -0.27 -0.55 8.47 7.56 2qb8A1 MET 206 HA -0.05 -0.07 0.23 -0.75 4.52 3.87 2qb8A1 MET 206 HB2 -0.06 0.19 -0.17 -0.04 2.15 2.07 2qb8A1 MET 206 HB3 -0.04 -0.02 0.13 -0.04 2.03 2.05 2qb8A1 MET 206 HG2 -0.05 -0.08 -0.21 -0.04 2.63 2.25 2qb8A1 MET 206 HG3 -0.04 0.02 -0.13 -0.04 2.56 2.38 2qb8A1 MET 206 HE3 -0.02 -0.01 -0.21 -0.04 2.10 1.82 2qb8A1 ARG 207 H -0.09 0.50 -0.23 -0.55 8.46 8.09 2qb8A1 ARG 207 HA -0.04 0.13 0.88 -0.75 4.34 4.55 2qb8A1 ARG 207 HB2 -0.08 0.22 0.03 -0.04 1.90 2.04 2qb8A1 ARG 207 HB3 -0.04 -0.10 0.10 -0.04 1.80 1.72 2qb8A1 ARG 207 HG2 -0.05 -0.08 -0.02 -0.04 1.67 1.48 2qb8A1 ARG 207 HG3 -0.09 0.13 -0.43 -0.04 1.67 1.24 2qb8A1 ARG 207 HD2 -0.07 -0.09 -0.01 -0.04 3.22 3.01 2qb8A1 ARG 207 HD3 -0.15 0.16 0.04 -0.04 3.22 3.22 2qb8A1 ARG 208 H -0.04 0.44 0.15 -0.55 8.46 8.46 2qb8A1 ARG 208 HA -0.02 0.10 0.70 -0.75 4.34 4.37 2qb8A1 ARG 208 HB2 -0.01 0.00 -0.16 -0.04 1.90 1.70 2qb8A1 ARG 208 HB3 -0.01 -0.02 0.02 -0.04 1.80 1.74 2qb8A1 ARG 208 HG2 -0.02 0.17 -0.14 -0.04 1.67 1.64 2qb8A1 ARG 208 HG3 -0.02 -0.01 -0.44 -0.04 1.67 1.15 2qb8A1 ARG 208 HD2 -0.00 -0.02 -0.10 -0.04 3.22 3.06 2qb8A1 ARG 208 HD3 -0.01 -0.01 -0.05 -0.04 3.22 3.10 2qb8A1 LYS 209 H -0.01 0.19 0.11 -0.55 8.42 8.17 2qb8A1 LYS 209 HA 0.00 0.05 0.27 -0.75 4.32 3.89 2qb8A1 LYS 209 HB2 0.02 0.21 0.11 -0.04 1.87 2.16 2qb8A1 LYS 209 HB3 0.02 -0.06 0.21 -0.04 1.79 1.92 2qb8A1 LYS 209 HG2 0.00 -0.04 -0.19 -0.04 1.46 1.19 2qb8A1 LYS 209 HG3 0.01 0.06 0.03 -0.04 1.46 1.52 2qb8A1 LYS 209 HD2 -0.00 -0.03 0.05 -0.04 1.69 1.67 2qb8A1 LYS 209 HD3 -0.00 -0.00 0.05 -0.04 1.68 1.68 2qb8A1 LYS 209 HE2 -0.01 0.06 0.03 -0.04 2.99 3.04 2qb8A1 LYS 209 HE3 -0.01 -0.02 0.04 -0.04 2.99 2.96 2qb8A1 VAL 210 H -0.01 0.09 -0.42 -0.55 8.24 7.35 2qb8A1 VAL 210 HA 0.00 -0.06 0.38 -0.75 4.13 3.69 2qb8A1 VAL 210 HB -0.01 0.05 -0.07 -0.04 2.12 2.05 2qb8A1 VAL 210 HG13 -0.01 -0.02 -0.18 -0.04 0.97 0.72 2qb8A1 VAL 210 HG23 -0.02 0.06 -0.23 -0.04 0.95 0.71 2qb8A1 GLU 211 H 0.01 -0.03 0.27 -0.55 8.60 8.30 2qb8A1 GLU 211 HA 0.01 0.32 0.77 -0.75 4.29 4.63 2qb8A1 GLU 211 HB2 0.02 -0.22 0.07 -0.04 2.09 1.91 2qb8A1 GLU 211 HB3 0.01 0.03 0.09 -0.04 1.99 2.09 2qb8A1 GLU 211 HG2 0.02 0.12 -0.32 -0.04 2.34 2.12 2qb8A1 GLU 211 HG3 0.03 -0.03 -0.47 -0.04 2.34 1.83 2qb8A1 GLU 212 H 0.01 0.26 0.13 -0.55 8.60 8.45 2qb8A1 GLU 212 HA 0.00 0.11 0.35 -0.75 4.29 4.00 2qb8A1 GLU 212 HB2 0.01 0.01 0.09 -0.04 2.09 2.16 2qb8A1 GLU 212 HB3 0.00 0.07 0.02 -0.04 1.99 2.05 2qb8A1 GLU 212 HG2 0.00 -0.02 0.09 -0.04 2.34 2.37 2qb8A1 GLU 212 HG3 0.00 0.08 0.03 -0.04 2.34 2.42 2qb8A1 SER 213 H 0.01 0.13 -0.16 -0.55 8.46 7.89 2qb8A1 SER 213 HA 0.02 0.16 0.42 -0.75 4.49 4.33 2qb8A1 SER 213 HB2 0.03 0.00 -0.15 -0.04 3.95 3.78 2qb8A1 SER 213 HB3 0.02 0.13 0.05 -0.04 3.93 4.09 2qb8A1 ASP 214 H 0.01 0.06 -0.16 -0.55 8.40 7.76 2qb8A1 ASP 214 HA -0.00 0.02 0.43 -0.75 4.63 4.32 2qb8A1 ASP 214 HB2 -0.00 0.14 0.14 -0.04 2.71 2.95 2qb8A1 ASP 214 HB3 -0.01 0.07 0.05 -0.04 2.70 2.77 2qb8A1 LYS 215 H -0.00 0.43 -0.12 -0.55 8.42 8.17 2qb8A1 LYS 215 HA -0.01 0.04 0.35 -0.75 4.32 3.95 2qb8A1 LYS 215 HB2 -0.00 0.06 0.10 -0.04 1.87 1.98 2qb8A1 LYS 215 HB3 -0.01 0.03 -0.01 -0.04 1.79 1.76 2qb8A1 LYS 215 HG2 -0.01 0.01 -0.03 -0.04 1.46 1.39 2qb8A1 LYS 215 HG3 -0.01 0.04 -0.08 -0.04 1.46 1.37 2qb8A1 LYS 215 HD2 -0.01 0.03 -0.06 -0.04 1.69 1.62 2qb8A1 LYS 215 HD3 -0.01 0.03 -0.11 -0.04 1.68 1.55 2qb8A1 LYS 215 HE2 -0.00 -0.09 -0.29 -0.04 2.99 2.56 2qb8A1 LYS 215 HE3 -0.00 0.02 -0.07 -0.04 2.99 2.90 2qb8A1 LEU 216 H -0.00 0.47 -0.23 -0.55 8.37 8.06 2qb8A1 LEU 216 HA -0.02 0.06 0.43 -0.75 4.35 4.06 2qb8A1 LEU 216 HB2 -0.01 0.04 0.09 -0.04 1.64 1.72 2qb8A1 LEU 216 HB3 0.00 0.06 0.14 -0.04 1.64 1.80 2qb8A1 LEU 216 HG -0.07 -0.01 -0.18 -0.04 1.64 1.34 2qb8A1 LEU 216 HD13 -0.04 -0.00 0.01 -0.04 0.93 0.86 2qb8A1 LEU 216 HD23 -0.02 -0.00 -0.04 -0.04 0.89 0.79 2qb8A1 ALA 217 H 0.02 0.53 -0.05 -0.55 8.40 8.36 2qb8A1 ALA 217 HA 0.16 0.05 0.44 -0.75 4.34 4.24 2qb8A1 ALA 217 HB3 -0.01 0.01 0.10 -0.04 1.41 1.47 2qb8A1 ILE 218 H -0.04 0.57 -0.16 -0.55 8.25 8.07 2qb8A1 ILE 218 HA -0.08 -0.00 0.40 -0.75 4.18 3.74 2qb8A1 ILE 218 HB -0.03 0.13 0.11 -0.04 1.89 2.07 2qb8A1 ILE 218 HG12 -0.04 0.07 0.03 -0.04 1.49 1.50 2qb8A1 ILE 218 HG13 -0.03 -0.02 -0.07 -0.04 1.21 1.05 2qb8A1 ILE 218 HG23 -0.02 -0.00 -0.14 -0.04 0.93 0.72 2qb8A1 ILE 218 HD13 -0.04 -0.02 -0.07 -0.04 0.88 0.71 2qb8A1 GLU 219 H -0.02 0.50 -0.18 -0.55 8.60 8.36 2qb8A1 GLU 219 HA -0.01 -0.00 0.38 -0.75 4.29 3.91 2qb8A1 GLU 219 HB2 -0.01 0.08 0.13 -0.04 2.09 2.25 2qb8A1 GLU 219 HB3 -0.02 0.10 0.14 -0.04 1.99 2.17 2qb8A1 GLU 219 HG2 0.00 -0.01 -0.15 -0.04 2.34 2.14 2qb8A1 GLU 219 HG3 -0.00 -0.03 0.03 -0.04 2.34 2.30 2qb8A1 ARG 220 H -0.03 0.51 -0.20 -0.55 8.46 8.19 2qb8A1 ARG 220 HA 0.03 0.04 0.45 -0.75 4.34 4.11 2qb8A1 ARG 220 HB2 0.08 0.08 0.14 -0.04 1.90 2.15 2qb8A1 ARG 220 HB3 -0.04 -0.02 -0.03 -0.04 1.80 1.67 2qb8A1 ARG 220 HG2 -0.41 -0.01 -0.01 -0.04 1.67 1.20 2qb8A1 ARG 220 HG3 -0.17 0.03 0.03 -0.04 1.67 1.52 2qb8A1 ARG 220 HD2 -0.26 -0.01 -0.17 -0.04 3.22 2.74 2qb8A1 ARG 220 HD3 -1.41 -0.03 -0.07 -0.04 3.22 1.66 2qb8A1 CYS 221 H -0.05 0.47 -0.13 -0.55 8.50 8.24 2qb8A1 CYS 221 HA 0.03 0.04 0.45 -0.75 4.58 4.35 2qb8A1 CYS 221 HB2 -0.09 0.10 0.16 -0.04 2.97 3.10 2qb8A1 CYS 221 HB3 -0.07 -0.04 -0.03 -0.04 2.97 2.79 2qb8A1 GLN 222 H -0.01 0.61 -0.12 -0.55 8.47 8.40 2qb8A1 GLN 222 HA 0.00 -0.03 0.35 -0.75 4.36 3.93 2qb8A1 GLN 222 HB2 0.00 0.15 0.15 -0.04 2.15 2.40 2qb8A1 GLN 222 HB3 0.00 -0.04 -0.04 -0.04 2.02 1.90 2qb8A1 GLN 222 HG2 -0.00 -0.09 -0.03 -0.04 2.40 2.23 2qb8A1 GLN 222 HG3 -0.01 0.09 0.03 -0.04 2.39 2.45 2qb8A1 GLN 222 HE21 -0.01 0.00 -0.07 -0.04 6.97 6.85 2qb8A1 GLN 222 HE22 -0.00 -0.06 -0.09 -0.04 7.69 7.50 2qb8A1 ALA 223 H 0.03 0.50 -0.21 -0.55 8.40 8.17 2qb8A1 ALA 223 HA 0.03 0.02 0.37 -0.75 4.34 4.00 2qb8A1 ALA 223 HB3 0.06 0.03 0.09 -0.04 1.41 1.55 2qb8A1 VAL 224 H 0.07 0.39 -0.25 -0.55 8.24 7.90 2qb8A1 VAL 224 HA 0.06 0.05 0.58 -0.75 4.13 4.06 2qb8A1 VAL 224 HB 0.09 0.07 0.16 -0.04 2.12 2.40 2qb8A1 VAL 224 HG13 0.07 -0.03 -0.08 -0.04 0.97 0.89 2qb8A1 VAL 224 HG23 0.16 0.01 0.04 -0.04 0.95 1.12 2qb8A1 LEU 225 H 0.03 0.63 0.01 -0.55 8.37 8.49 2qb8A1 LEU 225 HA 0.01 0.04 0.31 -0.75 4.35 3.95 2qb8A1 LEU 225 HB2 -0.00 0.15 0.10 -0.04 1.64 1.85 2qb8A1 LEU 225 HB3 -0.01 -0.06 -0.03 -0.04 1.64 1.50 2qb8A1 LEU 225 HG -0.03 -0.03 0.02 -0.04 1.64 1.56 2qb8A1 LEU 225 HD13 -0.00 0.01 -0.03 -0.04 0.93 0.86 2qb8A1 LEU 225 HD23 -0.04 -0.02 -0.08 -0.04 0.89 0.71 2qb8A1 SER 226 H 0.02 0.35 -0.40 -0.55 8.46 7.88 2qb8A1 SER 226 HA 0.01 -0.00 0.67 -0.75 4.49 4.41 2qb8A1 SER 226 HB2 0.02 0.13 0.09 -0.04 3.95 4.15 2qb8A1 SER 226 HB3 0.01 -0.04 -0.01 -0.04 3.93 3.84 2qb8A1 GLY 227 H 0.02 0.22 -0.19 -0.55 8.43 7.94 2qb8A1 GLY 227 HA2 0.02 0.03 0.34 -0.51 4.01 3.90 2qb8A1 GLY 227 HA3 0.02 0.03 0.38 -0.51 4.01 3.93 2qb8A1 ALA 228 H 0.01 0.07 0.13 -0.55 8.40 8.07 2qb8A1 ALA 228 HA 0.01 0.05 0.54 -0.75 4.34 4.19 2qb8A1 ALA 228 HB3 0.01 -0.01 0.12 -0.04 1.41 1.49 2qb8A1 VAL 229 H 0.01 0.27 0.22 -0.55 8.24 8.20 2qb8A1 VAL 229 HA 0.01 0.12 0.72 -0.75 4.13 4.22 2qb8A1 VAL 229 HB 0.01 -0.09 0.04 -0.04 2.12 2.04 2qb8A1 VAL 229 HG13 0.01 0.03 -0.10 -0.04 0.97 0.86 2qb8A1 VAL 229 HG23 0.01 0.04 -0.15 -0.04 0.95 0.81 2qb8A1 ASN 230 H 0.01 0.13 0.14 -0.55 8.53 8.26 2qb8A1 ASN 230 HA 0.01 0.12 0.53 -0.75 4.76 4.66 2qb8A1 ASN 230 HB2 0.00 -0.02 0.07 -0.04 2.88 2.89 2qb8A1 ASN 230 HB3 0.00 0.01 0.05 -0.04 2.79 2.81 2qb8A1 ASN 230 HD21 0.00 0.02 -0.04 -0.04 7.03 6.98 2qb8A1 ASN 230 HD22 0.01 0.04 -0.07 -0.04 7.74 7.67 2qb8A1 GLU 231 H 0.01 0.14 0.01 -0.55 8.60 8.21 2qb8A1 GLU 231 HA 0.01 0.17 0.76 -0.75 4.29 4.47 2qb8A1 GLU 231 HB2 0.00 0.02 -0.17 -0.04 2.09 1.90 2qb8A1 GLU 231 HB3 0.00 -0.04 -0.00 -0.04 1.99 1.91 2qb8A1 GLU 231 HG2 0.00 0.05 -0.26 -0.04 2.34 2.10 2qb8A1 GLU 231 HG3 0.00 0.04 0.01 -0.04 2.34 2.35 2qb8A1 VAL 232 H 0.01 0.19 0.09 -0.55 8.24 7.97 2qb8A1 VAL 232 HA 0.01 0.12 0.80 -0.75 4.13 4.30 2qb8A1 VAL 232 HB 0.00 -0.02 0.16 -0.04 2.12 2.22 2qb8A1 VAL 232 HG13 0.01 0.02 -0.07 -0.04 0.97 0.88 2qb8A1 VAL 232 HG23 0.01 0.02 -0.06 -0.04 0.95 0.88 2qb8A1 SER 233 H 0.01 0.17 0.15 -0.55 8.46 8.24 2qb8A1 SER 233 HA 0.01 0.19 0.66 -0.75 4.49 4.60 2qb8A1 SER 233 HB2 0.01 -0.00 0.16 -0.04 3.95 4.07 2qb8A1 SER 233 HB3 0.01 0.13 0.09 -0.04 3.93 4.11 2qb8A1 ALA 234 H 0.01 0.20 0.15 -0.55 8.40 8.21 2qb8A1 ALA 234 HA 0.01 0.16 0.55 -0.75 4.34 4.30 2qb8A1 ALA 234 HB3 0.01 0.04 0.10 -0.04 1.41 1.51 2qb8A1 GLN 235 H 0.01 0.08 -0.33 -0.55 8.47 7.68 2qb8A1 GLN 235 HA 0.01 0.08 0.26 -0.75 4.36 3.95 2qb8A1 GLN 235 HB2 0.01 -0.00 0.08 -0.04 2.15 2.19 2qb8A1 GLN 235 HB3 0.01 0.06 0.01 -0.04 2.02 2.05 2qb8A1 GLN 235 HG2 0.01 0.07 -0.02 -0.04 2.40 2.42 2qb8A1 GLN 235 HG3 0.01 0.00 -0.12 -0.04 2.39 2.25 2qb8A1 GLN 235 HE21 0.02 0.03 -0.02 -0.04 6.97 6.96 2qb8A1 GLN 235 HE22 0.02 -0.04 0.01 -0.04 7.69 7.64 2qb8A1 GLY 236 H 0.01 0.19 -0.18 -0.55 8.43 7.90 2qb8A1 GLY 236 HA2 0.00 0.11 0.36 -0.51 4.01 3.98 2qb8A1 GLY 236 HA3 0.00 0.13 0.26 -0.51 4.01 3.89 2qb8A1 LEU 237 H 0.01 0.17 -0.20 -0.55 8.37 7.81 2qb8A1 LEU 237 HA 0.02 0.06 0.43 -0.75 4.35 4.10 2qb8A1 LEU 237 HB2 0.01 0.06 0.09 -0.04 1.64 1.76 2qb8A1 LEU 237 HB3 0.01 0.03 -0.01 -0.04 1.64 1.62 2qb8A1 LEU 237 HG 0.00 -0.05 -0.03 -0.04 1.64 1.53 2qb8A1 LEU 237 HD13 -0.00 0.02 -0.02 -0.04 0.93 0.89 2qb8A1 LEU 237 HD23 -0.00 0.01 -0.02 -0.04 0.89 0.83 2qb8A1 GLU 238 H 0.02 0.44 -0.19 -0.55 8.60 8.33 2qb8A1 GLU 238 HA 0.03 0.03 0.48 -0.75 4.29 4.09 2qb8A1 GLU 238 HB2 0.02 0.09 0.15 -0.04 2.09 2.30 2qb8A1 GLU 238 HB3 0.03 -0.02 -0.01 -0.04 1.99 1.95 2qb8A1 GLU 238 HG2 0.02 -0.02 0.01 -0.04 2.34 2.32 2qb8A1 GLU 238 HG3 0.02 0.07 0.02 -0.04 2.34 2.41 2qb8A1 ASP 239 H 0.03 0.61 -0.10 -0.55 8.40 8.39 2qb8A1 ASP 239 HA 0.05 0.01 0.44 -0.75 4.63 4.39 2qb8A1 ASP 239 HB2 0.01 0.13 0.17 -0.04 2.71 2.99 2qb8A1 ASP 239 HB3 0.01 -0.03 0.02 -0.04 2.70 2.66 2qb8A1 SER 240 H 0.05 0.48 -0.15 -0.55 8.46 8.30 2qb8A1 SER 240 HA 0.18 0.01 0.44 -0.75 4.49 4.37 2qb8A1 SER 240 HB2 0.05 0.10 0.15 -0.04 3.95 4.21 2qb8A1 SER 240 HB3 0.08 -0.07 -0.03 -0.04 3.93 3.88 2qb8A1 SER 241 H 0.07 0.60 -0.15 -0.55 8.46 8.43 2qb8A1 SER 241 HA 0.13 -0.01 0.50 -0.75 4.49 4.35 2qb8A1 SER 241 HB2 0.04 0.02 0.13 -0.04 3.95 4.10 2qb8A1 SER 241 HB3 0.06 0.16 0.22 -0.04 3.93 4.33 2qb8A1 GLU 242 H 0.10 0.56 -0.11 -0.55 8.60 8.61 2qb8A1 GLU 242 HA 0.08 0.01 0.41 -0.75 4.29 4.03 2qb8A1 GLU 242 HB2 0.11 0.10 0.14 -0.04 2.09 2.39 2qb8A1 GLU 242 HB3 0.09 -0.03 0.05 -0.04 1.99 2.05 2qb8A1 GLU 242 HG2 0.06 0.25 0.08 -0.04 2.34 2.69 2qb8A1 GLU 242 HG3 0.05 -0.03 0.00 -0.04 2.34 2.32 2qb8A1 PHE 243 H 0.27 0.49 -0.24 -0.55 8.34 8.31 2qb8A1 PHE 243 HA 0.12 0.02 0.37 -0.75 4.62 4.37 2qb8A1 PHE 243 HB2 0.08 0.09 0.12 -0.04 3.15 3.40 2qb8A1 PHE 243 HB3 0.09 0.10 0.19 -0.04 3.06 3.40 2qb8A1 PHE 243 HD2 0.15 0.00 -0.02 -0.04 7.28 7.37 2qb8A1 PHE 243 HE2 0.07 -0.03 -0.09 -0.04 7.38 7.28 2qb8A1 PHE 243 HZ 0.05 0.07 0.03 -0.04 7.32 7.43 2qb8A1 TYR 244 H 0.25 0.68 -0.07 -0.55 8.29 8.59 2qb8A1 TYR 244 HA -0.18 -0.06 0.36 -0.75 4.56 3.93 2qb8A1 TYR 244 HB2 -0.01 -0.04 0.09 -0.04 3.06 3.07 2qb8A1 TYR 244 HB3 0.00 0.17 0.19 -0.04 2.98 3.30 2qb8A1 TYR 244 HD2 -0.04 -0.00 -0.13 -0.04 7.15 6.94 2qb8A1 TYR 244 HE2 -0.02 0.03 -0.05 -0.04 6.85 6.77 2qb8A1 LYS 245 H 0.06 0.60 -0.16 -0.55 8.42 8.37 2qb8A1 LYS 245 HA -0.28 -0.03 0.40 -0.75 4.32 3.66 2qb8A1 LYS 245 HB2 -0.01 0.16 0.16 -0.04 1.87 2.14 2qb8A1 LYS 245 HB3 -0.06 -0.05 0.01 -0.04 1.79 1.65 2qb8A1 LYS 245 HG2 0.02 -0.07 0.03 -0.04 1.46 1.40 2qb8A1 LYS 245 HG3 0.11 0.19 0.07 -0.04 1.46 1.79 2qb8A1 LYS 245 HD2 0.01 -0.03 -0.00 -0.04 1.69 1.62 2qb8A1 LYS 245 HD3 0.05 -0.03 -0.03 -0.04 1.68 1.63 2qb8A1 LYS 245 HE2 0.06 0.03 -0.20 -0.04 2.99 2.84 2qb8A1 LYS 245 HE3 0.02 0.02 0.01 -0.04 2.99 3.00 2qb8A1 GLU 246 H -0.10 0.51 -0.19 -0.55 8.60 8.27 2qb8A1 GLU 246 HA -0.26 0.02 0.47 -0.75 4.29 3.76 2qb8A1 GLU 246 HB2 -0.16 0.14 0.18 -0.04 2.09 2.20 2qb8A1 GLU 246 HB3 -0.94 -0.05 0.00 -0.04 1.99 0.96 2qb8A1 GLU 246 HG2 -0.01 0.23 0.09 -0.04 2.34 2.62 2qb8A1 GLU 246 HG3 0.12 -0.04 0.00 -0.04 2.34 2.38 2qb8A1 ILE 247 H -0.32 0.55 -0.02 -0.55 8.25 7.91 2qb8A1 ILE 247 HA -0.22 0.05 0.56 -0.75 4.18 3.82 2qb8A1 ILE 247 HB -0.16 -0.12 0.09 -0.04 1.89 1.66 2qb8A1 ILE 247 HG12 -0.35 0.18 0.26 -0.04 1.49 1.53 2qb8A1 ILE 247 HG13 -0.26 -0.02 0.04 -0.04 1.21 0.93 2qb8A1 ILE 247 HG23 -0.33 0.05 0.05 -0.04 0.93 0.66 2qb8A1 ILE 247 HD13 -0.28 -0.03 0.02 -0.04 0.88 0.56 2qb8A1 LYS 248 H -0.44 0.84 0.04 -0.55 8.42 8.31 2qb8A1 LYS 248 HA -0.22 -0.04 0.43 -0.75 4.32 3.73 2qb8A1 LYS 248 HB2 -0.95 0.00 0.11 -0.04 1.87 0.99 2qb8A1 LYS 248 HB3 -0.52 0.08 0.11 -0.04 1.79 1.42 2qb8A1 LYS 248 HG2 -0.26 -0.01 -0.02 -0.04 1.46 1.13 2qb8A1 LYS 248 HG3 -0.18 0.01 -0.12 -0.04 1.46 1.13 2qb8A1 LYS 248 HD2 -0.11 -0.05 0.10 -0.04 1.69 1.59 2qb8A1 LYS 248 HD3 -0.13 -0.01 0.06 -0.04 1.68 1.55 2qb8A1 LYS 248 HE2 0.06 -0.00 0.00 -0.04 2.99 3.01 2qb8A1 LYS 248 HE3 -0.02 0.01 0.01 -0.04 2.99 2.94 2qb8A1 SER 249 H -0.23 0.60 -0.13 -0.55 8.46 8.15 2qb8A1 SER 249 HA -0.13 0.01 0.44 -0.75 4.49 4.05 2qb8A1 SER 249 HB2 -0.11 -0.05 0.04 -0.04 3.95 3.79 2qb8A1 SER 249 HB3 -0.13 -0.01 0.14 -0.04 3.93 3.89 2qb8A1 ARG 250 H -0.18 0.33 -0.34 -0.55 8.46 7.73 2qb8A1 ARG 250 HA -0.09 0.11 0.49 -0.75 4.34 4.09 2qb8A1 ARG 250 HB2 -0.13 0.09 0.15 -0.04 1.90 1.97 2qb8A1 ARG 250 HB3 -0.04 -0.18 -0.38 -0.04 1.80 1.17 2qb8A1 ARG 250 HG2 -0.09 -0.02 -0.01 -0.04 1.67 1.51 2qb8A1 ARG 250 HG3 -0.21 0.12 0.06 -0.04 1.67 1.59 2qb8A1 ARG 250 HD2 -0.30 -0.03 0.00 -0.04 3.22 2.85 2qb8A1 ARG 250 HD3 0.01 0.13 -0.03 -0.04 3.22 3.29 2qb8A1 LYS 251 H -0.10 0.55 0.04 -0.55 8.42 8.36 2qb8A1 LYS 251 HA 0.00 -0.07 0.54 -0.75 4.32 4.04 2qb8A1 LYS 251 HB2 -0.04 -0.06 0.17 -0.04 1.87 1.90 2qb8A1 LYS 251 HB3 -0.06 0.12 0.16 -0.04 1.79 1.97 2qb8A1 LYS 251 HG2 0.00 0.06 -0.03 -0.04 1.46 1.45 2qb8A1 LYS 251 HG3 0.02 -0.06 0.13 -0.04 1.46 1.51 2qb8A1 LYS 251 HD2 0.01 -0.12 0.04 -0.04 1.69 1.59 2qb8A1 LYS 251 HD3 -0.00 0.05 0.02 -0.04 1.68 1.71 2qb8A1 LYS 251 HE2 0.03 0.06 -0.01 -0.04 2.99 3.03 2qb8A1 LYS 251 HE3 0.05 -0.02 0.04 -0.04 2.99 3.02 2qb8A1 ASN 252 H -0.10 0.46 -0.30 -0.55 8.53 8.05 2qb8A1 ASN 252 HA -0.10 0.00 0.49 -0.75 4.76 4.40 2qb8A1 ASN 252 HB2 -0.12 0.13 0.18 -0.04 2.88 3.03 2qb8A1 ASN 252 HB3 -0.14 -0.09 0.17 -0.04 2.79 2.69 2qb8A1 ASN 252 HD21 -0.04 -0.09 0.04 -0.04 7.03 6.89 2qb8A1 ASN 252 HD22 -0.08 -0.02 -0.00 -0.04 7.74 7.59 2qb8A1 ASP 253 H -0.09 0.37 -0.68 -0.55 8.40 7.44 2qb8A1 ASP 253 HA -0.16 -0.01 0.83 -0.75 4.63 4.53 2qb8A1 ASP 253 HB2 -0.11 0.09 0.11 -0.04 2.71 2.76 2qb8A1 ASP 253 HB3 -0.10 0.07 0.29 -0.04 2.70 2.91 2qb8A1 ILE 254 H -0.21 0.11 0.12 -0.55 8.25 7.72 2qb8A1 ILE 254 HA -0.79 0.30 0.88 -0.75 4.18 3.81 2qb8A1 ILE 254 HB 0.17 -0.05 0.16 -0.04 1.89 2.13 2qb8A1 ILE 254 HG12 -0.24 0.06 -0.05 -0.04 1.49 1.21 2qb8A1 ILE 254 HG13 -0.00 0.01 -0.12 -0.04 1.21 1.06 2qb8A1 ILE 254 HG23 0.14 0.01 -0.07 -0.04 0.93 0.97 2qb8A1 ILE 254 HD13 0.07 -0.05 -0.03 -0.04 0.88 0.83 2qb8A1 LYS 255 H -0.10 -0.13 -0.03 -0.55 8.42 7.61 2qb8A1 LYS 255 HA 0.19 0.03 0.48 -0.75 4.32 4.27 2qb8A1 LYS 255 HB2 0.12 0.00 0.15 -0.04 1.87 2.10 2qb8A1 LYS 255 HB3 -0.02 0.00 0.10 -0.04 1.79 1.83 2qb8A1 LYS 255 HG2 0.00 -0.00 0.11 -0.04 1.46 1.53 2qb8A1 LYS 255 HG3 0.08 -0.01 0.08 -0.04 1.46 1.57 2qb8A1 LYS 255 HD2 0.03 -0.01 0.02 -0.04 1.69 1.70 2qb8A1 LYS 255 HD3 -0.00 0.02 -0.02 -0.04 1.68 1.64 2qb8A1 LYS 255 HE2 -0.01 0.00 0.00 -0.04 2.99 2.95 2qb8A1 LYS 255 HE3 -0.02 0.01 -0.00 -0.04 2.99 2.94 2qb8A1 GLY 256 H 0.01 0.14 0.18 -0.55 8.43 8.22 2qb8A1 GLY 256 HA2 0.04 -0.22 0.32 -0.51 4.01 3.64 2qb8A1 GLY 256 HA3 0.04 0.10 0.15 -0.51 4.01 3.80 2qb8A1 PHE 257 H 0.13 0.50 -0.41 -0.55 8.34 8.01 2qb8A1 PHE 257 HA 0.08 -0.00 0.65 -0.75 4.62 4.59 2qb8A1 PHE 257 HB2 0.15 0.12 0.07 -0.04 3.15 3.45 2qb8A1 PHE 257 HB3 0.08 -0.18 0.05 -0.04 3.06 2.96 2qb8A1 PHE 257 HD2 0.06 -0.07 -0.11 -0.04 7.28 7.12 2qb8A1 PHE 257 HE2 0.03 0.03 0.07 -0.04 7.38 7.48 2qb8A1 PHE 257 HZ 0.03 -0.03 0.12 -0.04 7.32 7.40 2qb8A1 SER 258 H 0.15 0.05 0.16 -0.55 8.46 8.27 2qb8A1 SER 258 HA 0.21 0.20 0.64 -0.75 4.49 4.78 2qb8A1 SER 258 HB2 0.04 -0.03 0.16 -0.04 3.95 4.08 2qb8A1 SER 258 HB3 0.07 0.15 0.13 -0.04 3.93 4.24 2qb8A1 VAL 259 H -0.08 0.19 0.13 -0.55 8.24 7.93 2qb8A1 VAL 259 HA -0.27 0.14 0.45 -0.75 4.13 3.70 2qb8A1 VAL 259 HB -0.22 -0.04 0.10 -0.04 2.12 1.91 2qb8A1 VAL 259 HG13 -0.60 0.02 -0.16 -0.04 0.97 0.18 2qb8A1 VAL 259 HG23 -0.34 0.03 0.05 -0.04 0.95 0.65 2qb8A1 SER 260 H -0.07 0.10 -0.10 -0.55 8.46 7.83 2qb8A1 SER 260 HA -0.09 0.09 0.31 -0.75 4.49 4.04 2qb8A1 SER 260 HB2 0.01 0.02 0.08 -0.04 3.95 4.02 2qb8A1 SER 260 HB3 -0.01 -0.05 0.03 -0.04 3.93 3.87 2qb8A1 ASP 261 H -0.03 0.00 -0.30 -0.55 8.40 7.52 2qb8A1 ASP 261 HA -0.10 0.04 0.39 -0.75 4.63 4.21 2qb8A1 ASP 261 HB2 0.02 0.19 0.13 -0.04 2.71 3.00 2qb8A1 ASP 261 HB3 -0.32 0.12 -0.02 -0.04 2.70 2.44 2qb8A1 ILE 262 H 0.01 0.50 -0.20 -0.55 8.25 8.01 2qb8A1 ILE 262 HA 0.12 0.08 0.43 -0.75 4.18 4.05 2qb8A1 ILE 262 HB 0.03 0.04 0.13 -0.04 1.89 2.06 2qb8A1 ILE 262 HG12 0.28 -0.03 0.02 -0.04 1.49 1.73 2qb8A1 ILE 262 HG13 0.31 0.01 -0.03 -0.04 1.21 1.46 2qb8A1 ILE 262 HG23 0.13 -0.03 -0.15 -0.04 0.93 0.83 2qb8A1 ILE 262 HD13 0.27 0.00 -0.17 -0.04 0.88 0.94 2qb8A1 LEU 263 H -0.21 0.57 -0.11 -0.55 8.37 8.07 2qb8A1 LEU 263 HA -0.19 0.01 0.43 -0.75 4.35 3.84 2qb8A1 LEU 263 HB2 -1.02 0.08 0.06 -0.04 1.64 0.72 2qb8A1 LEU 263 HB3 -1.45 -0.05 -0.05 -0.04 1.64 0.05 2qb8A1 LEU 263 HG -0.34 0.12 -0.04 -0.04 1.64 1.33 2qb8A1 LEU 263 HD13 -0.54 -0.03 -0.12 -0.04 0.93 0.20 2qb8A1 LEU 263 HD23 -0.15 -0.02 -0.09 -0.04 0.89 0.59 2qb8A1 LYS 264 H -0.15 0.47 -0.22 -0.55 8.42 7.96 2qb8A1 LYS 264 HA -0.05 0.07 0.58 -0.75 4.32 4.17 2qb8A1 LYS 264 HB2 0.04 -0.06 0.10 -0.04 1.87 1.91 2qb8A1 LYS 264 HB3 0.17 -0.03 0.03 -0.04 1.79 1.92 2qb8A1 LYS 264 HG2 -0.04 0.14 0.12 -0.04 1.46 1.64 2qb8A1 LYS 264 HG3 -0.02 -0.01 -0.17 -0.04 1.46 1.22 2qb8A1 LYS 264 HD2 0.02 -0.03 -0.05 -0.04 1.69 1.58 2qb8A1 LYS 264 HD3 0.03 -0.05 -0.20 -0.04 1.68 1.42 2qb8A1 LYS 264 HE2 -0.07 -0.02 -0.07 -0.04 2.99 2.79 2qb8A1 LYS 264 HE3 -0.05 -0.01 -0.05 -0.04 2.99 2.85 2qb8A1 LYS 265 H -0.01 0.34 -0.24 -0.55 8.42 7.95 2qb8A1 LYS 265 HA 0.02 0.05 0.39 -0.75 4.32 4.03 2qb8A1 LYS 265 HB2 0.01 -0.05 0.10 -0.04 1.87 1.89 2qb8A1 LYS 265 HB3 -0.05 0.12 0.15 -0.04 1.79 1.97 2qb8A1 LYS 265 HG2 0.07 0.08 0.19 -0.04 1.46 1.76 2qb8A1 LYS 265 HG3 0.08 -0.02 -0.07 -0.04 1.46 1.41 2qb8A1 LYS 265 HD2 0.23 0.06 0.09 -0.04 1.69 2.02 2qb8A1 LYS 265 HD3 0.18 -0.07 0.08 -0.04 1.68 1.83 2qb8A1 LYS 265 HE2 0.10 -0.10 -0.02 -0.04 2.99 2.92 2qb8A1 LYS 265 HE3 0.09 -0.05 -0.04 -0.04 2.99 2.95 2qb8A1 ASP 266 H 0.10 0.19 -0.29 -0.55 8.40 7.85 2qb8A1 ASP 266 HA 0.10 0.11 0.64 -0.75 4.63 4.73 2qb8A1 ASP 266 HB2 0.08 0.06 -0.01 -0.04 2.71 2.81 2qb8A1 ASP 266 HB3 0.09 0.23 0.32 -0.04 2.70 3.30 2qb8A1 TYR 267 H 0.18 0.30 0.08 -0.55 8.29 8.30 2qb8A1 TYR 267 HA 0.06 0.29 0.99 -0.75 4.56 5.15 2qb8A1 TYR 267 HB2 0.06 0.29 0.01 -0.04 3.06 3.39 2qb8A1 TYR 267 HB3 0.08 0.10 0.08 -0.04 2.98 3.19 2qb8A1 TYR 267 HD2 0.09 0.02 -0.19 -0.04 7.15 7.03 2qb8A1 TYR 267 HE2 0.13 -0.05 -0.14 -0.04 6.85 6.76 2qb8A1 LYS 268 H -0.44 0.61 0.41 -0.55 8.42 8.44 2qb8A1 LYS 268 HA -0.37 0.09 0.83 -0.75 4.32 4.12 2qb8A1 LYS 268 HB2 -0.04 0.01 0.09 -0.04 1.87 1.89 2qb8A1 LYS 268 HB3 -0.47 0.02 0.05 -0.04 1.79 1.34 2qb8A1 LYS 268 HG2 -0.11 0.03 0.00 -0.04 1.46 1.34 2qb8A1 LYS 268 HG3 -0.03 0.01 -0.32 -0.04 1.46 1.08 2qb8A1 LYS 268 HD2 0.08 0.00 -0.04 -0.04 1.69 1.70 2qb8A1 LYS 268 HD3 -0.07 0.01 0.03 -0.04 1.68 1.60 2qb8A1 LYS 268 HE2 -0.05 -0.12 0.05 -0.04 2.99 2.82 2qb8A1 LYS 268 HE3 0.03 0.03 -0.04 -0.04 2.99 2.97 2qb8A1 GLN 269 H -0.54 0.15 0.24 -0.55 8.47 7.78 2qb8A1 GLN 269 HA -0.28 0.31 1.13 -0.75 4.36 4.76 2qb8A1 GLN 269 HB2 -0.15 -0.02 -0.06 -0.04 2.15 1.88 2qb8A1 GLN 269 HB3 -0.16 -0.06 0.08 -0.04 2.02 1.84 2qb8A1 GLN 269 HG2 -0.07 0.02 -0.04 -0.04 2.40 2.27 2qb8A1 GLN 269 HG3 -0.01 0.03 -0.08 -0.04 2.39 2.29 2qb8A1 GLN 269 HE21 -0.00 0.13 -0.02 -0.04 6.97 7.04 2qb8A1 GLN 269 HE22 -0.02 -0.05 -0.07 -0.04 7.69 7.51 2qb8A1 PHE 270 H -0.03 0.71 0.44 -0.55 8.34 8.91 2qb8A1 PHE 270 HA -0.02 0.12 0.85 -0.75 4.62 4.81 2qb8A1 PHE 270 HB2 -0.23 0.01 -0.02 -0.04 3.15 2.87 2qb8A1 PHE 270 HB3 0.17 0.01 -0.00 -0.04 3.06 3.20 2qb8A1 PHE 270 HD2 0.00 0.07 -0.10 -0.04 7.28 7.20 2qb8A1 PHE 270 HE2 -0.02 -0.01 -0.11 -0.04 7.38 7.20 2qb8A1 PHE 270 HZ -0.02 -0.05 -0.08 -0.04 7.32 7.12 2qb8A1 ASN 271 H 0.17 0.21 0.12 -0.55 8.53 8.48 2qb8A1 ASN 271 HA -0.06 0.37 0.83 -0.75 4.76 5.14 2qb8A1 ASN 271 HB2 0.02 -0.00 -0.00 -0.04 2.88 2.85 2qb8A1 ASN 271 HB3 0.07 -0.01 0.14 -0.04 2.79 2.95 2qb8A1 ASN 271 HD21 0.01 -0.05 -0.17 -0.04 7.03 6.78 2qb8A1 ASN 271 HD22 -0.01 0.02 -0.10 -0.04 7.74 7.61 2qb8A1 PHE 272 H -0.11 0.52 0.19 -0.55 8.34 8.39 2qb8A1 PHE 272 HA 0.02 0.08 0.68 -0.75 4.62 4.65 2qb8A1 PHE 272 HB2 -0.33 -0.07 0.09 -0.04 3.15 2.81 2qb8A1 PHE 272 HB3 0.06 0.15 -0.02 -0.04 3.06 3.20 2qb8A1 PHE 272 HD2 -0.09 0.01 -0.21 -0.04 7.28 6.95 2qb8A1 PHE 272 HE2 -0.26 -0.04 -0.19 -0.04 7.38 6.86 2qb8A1 PHE 272 HZ -0.29 -0.03 -0.08 -0.04 7.32 6.87 2qb8A1 GLN 273 H 0.17 0.14 0.17 -0.55 8.47 8.41 2qb8A1 GLN 273 HA 0.18 0.12 0.83 -0.75 4.36 4.74 2qb8A1 GLN 273 HB2 0.06 -0.05 0.12 -0.04 2.15 2.25 2qb8A1 GLN 273 HB3 0.04 0.15 0.01 -0.04 2.02 2.18 2qb8A1 GLN 273 HG2 0.08 -0.03 -0.04 -0.04 2.40 2.37 2qb8A1 GLN 273 HG3 0.03 0.01 -0.01 -0.04 2.39 2.37 2qb8A1 GLN 273 HE21 0.06 0.03 -0.23 -0.04 6.97 6.79 2qb8A1 GLN 273 HE22 0.02 0.09 -0.06 -0.04 7.69 7.70 2qb8A1 GLY 274 H 0.16 0.24 0.01 -0.55 8.43 8.30 2qb8A1 GLY 274 HA2 -0.08 0.20 0.73 -0.51 4.01 4.36 2qb8A1 GLY 274 HA3 -0.25 -0.03 0.31 -0.51 4.01 3.52 2qb8A1 LYS 275 H -0.16 0.20 0.14 -0.55 8.42 8.05 2qb8A1 LYS 275 HA -0.04 0.12 0.59 -0.75 4.32 4.24 2qb8A1 LYS 275 HB2 -0.06 -0.06 0.08 -0.04 1.87 1.79 2qb8A1 LYS 275 HB3 -0.02 -0.02 0.09 -0.04 1.79 1.80 2qb8A1 LYS 275 HG2 -0.05 -0.02 0.00 -0.04 1.46 1.35 2qb8A1 LYS 275 HG3 -0.11 0.18 0.04 -0.04 1.46 1.54 2qb8A1 LYS 275 HD2 -0.05 -0.02 -0.07 -0.04 1.69 1.51 2qb8A1 LYS 275 HD3 -0.03 -0.10 0.01 -0.04 1.68 1.52 2qb8A1 LYS 275 HE2 -0.04 -0.06 -0.01 -0.04 2.99 2.84 2qb8A1 LYS 275 HE3 -0.06 0.24 -0.04 -0.04 2.99 3.08 2qb8A1 GLY 276 H -0.01 0.03 -0.02 -0.55 8.43 7.87 2qb8A1 GLY 276 HA2 0.10 0.11 0.76 -0.51 4.01 4.47 2qb8A1 GLY 276 HA3 0.07 -0.02 0.32 -0.51 4.01 3.87 2qb8A1 HIS 277 H 0.25 0.09 0.13 -0.55 8.41 8.33 2qb8A1 HIS 277 HA 0.04 0.17 0.44 -0.75 4.63 4.52 2qb8A1 HIS 277 HB2 0.02 -0.05 0.10 -0.04 3.26 3.30 2qb8A1 HIS 277 HB3 0.03 0.00 0.05 -0.04 3.20 3.24 2qb8A1 HIS 277 HD2 0.01 0.03 -0.02 -0.04 6.97 6.95 2qb8A1 HIS 277 HE1 0.01 -0.01 -0.00 -0.04 7.75 7.71 2qb8A1 LYS 278 H 0.12 -0.05 -0.21 -0.55 8.42 7.73 2qb8A1 LYS 278 HA 0.08 0.08 0.74 -0.75 4.32 4.47 2qb8A1 LYS 278 HB2 0.07 -0.05 0.07 -0.04 1.87 1.92 2qb8A1 LYS 278 HB3 0.09 -0.04 0.05 -0.04 1.79 1.85 2qb8A1 LYS 278 HG2 0.06 0.22 -0.07 -0.04 1.46 1.63 2qb8A1 LYS 278 HG3 0.05 -0.03 0.08 -0.04 1.46 1.51 2qb8A1 LYS 278 HD2 0.04 -0.04 0.02 -0.04 1.69 1.67 2qb8A1 LYS 278 HD3 0.05 -0.03 0.01 -0.04 1.68 1.66 2qb8A1 LYS 278 HE2 0.03 0.01 0.02 -0.04 2.99 3.00 2qb8A1 LYS 278 HE3 0.03 0.01 0.02 -0.04 2.99 3.01 2qb8A1 GLY 279 H 0.07 0.06 0.09 -0.55 8.43 8.11 2qb8A1 GLY 279 HA2 0.18 0.18 0.61 -0.51 4.01 4.47 2qb8A1 GLY 279 HA3 0.07 0.01 0.25 -0.51 4.01 3.84 2qb8A1 LEU 280 H -0.08 0.52 0.22 -0.55 8.37 8.49 2qb8A1 LEU 280 HA -0.14 0.13 0.87 -0.75 4.35 4.46 2qb8A1 LEU 280 HB2 -1.03 0.06 -0.02 -0.04 1.64 0.61 2qb8A1 LEU 280 HB3 -0.64 -0.08 0.15 -0.04 1.64 1.02 2qb8A1 LEU 280 HG -0.30 0.04 -0.27 -0.04 1.64 1.07 2qb8A1 LEU 280 HD13 -0.13 0.00 -0.03 -0.04 0.93 0.73 2qb8A1 LEU 280 HD23 -0.42 -0.01 -0.12 -0.04 0.89 0.30 2qb8A1 GLU 281 H -0.09 0.18 0.16 -0.55 8.60 8.30 2qb8A1 GLU 281 HA -0.11 0.28 0.98 -0.75 4.29 4.68 2qb8A1 GLU 281 HB2 -0.04 0.00 0.17 -0.04 2.09 2.18 2qb8A1 GLU 281 HB3 -0.05 -0.15 0.33 -0.04 1.99 2.08 2qb8A1 GLU 281 HG2 -0.03 0.19 0.00 -0.04 2.34 2.46 2qb8A1 GLU 281 HG3 -0.03 -0.03 -0.09 -0.04 2.34 2.14 2qb8A1 ILE 282 H -0.18 0.68 0.39 -0.55 8.25 8.59 2qb8A1 ILE 282 HA -0.09 0.30 1.08 -0.75 4.18 4.72 2qb8A1 ILE 282 HB -0.36 -0.05 -0.23 -0.04 1.89 1.21 2qb8A1 ILE 282 HG12 -0.08 -0.01 -0.31 -0.04 1.49 1.05 2qb8A1 ILE 282 HG13 -0.06 0.08 -0.08 -0.04 1.21 1.11 2qb8A1 ILE 282 HG23 -0.97 0.01 -0.03 -0.04 0.93 -0.11 2qb8A1 ILE 282 HD13 -0.10 -0.02 -0.15 -0.04 0.88 0.57 2qb8A1 GLY 283 H 0.06 0.58 0.43 -0.55 8.43 8.96 2qb8A1 GLY 283 HA2 -0.10 0.23 1.13 -0.51 4.01 4.75 2qb8A1 GLY 283 HA3 0.26 0.02 0.38 -0.51 4.01 4.16 2qb8A1 LEU 284 H -0.23 0.69 0.38 -0.55 8.37 8.68 2qb8A1 LEU 284 HA 0.12 0.30 1.11 -0.75 4.35 5.12 2qb8A1 LEU 284 HB2 0.11 -0.05 0.14 -0.04 1.64 1.80 2qb8A1 LEU 284 HB3 0.09 -0.01 -0.01 -0.04 1.64 1.67 2qb8A1 LEU 284 HG 0.08 0.11 -0.30 -0.04 1.64 1.49 2qb8A1 LEU 284 HD13 0.17 -0.01 -0.24 -0.04 0.93 0.82 2qb8A1 LEU 284 HD23 0.06 -0.01 -0.13 -0.04 0.89 0.76 2qb8A1 SER 285 H 0.15 0.58 0.41 -0.55 8.46 9.05 2qb8A1 SER 285 HA 0.20 0.23 0.96 -0.75 4.49 5.12 2qb8A1 SER 285 HB2 0.08 -0.14 0.19 -0.04 3.95 4.05 2qb8A1 SER 285 HB3 0.06 0.12 0.05 -0.04 3.93 4.12 2qb8A1 SER 286 H 0.11 0.71 0.40 -0.55 8.46 9.13 2qb8A1 SER 286 HA 0.09 0.19 1.01 -0.75 4.49 5.03 2qb8A1 SER 286 HB2 0.08 0.07 0.25 -0.04 3.95 4.31 2qb8A1 SER 286 HB3 0.08 -0.01 0.09 -0.04 3.93 4.05 2qb8A1 ILE 287 H 0.09 0.69 0.46 -0.55 8.25 8.94 2qb8A1 ILE 287 HA 0.07 0.22 0.96 -0.75 4.18 4.67 2qb8A1 ILE 287 HB 0.09 -0.04 -0.02 -0.04 1.89 1.88 2qb8A1 ILE 287 HG12 0.08 0.18 -0.26 -0.04 1.49 1.45 2qb8A1 ILE 287 HG13 0.09 -0.06 -0.67 -0.04 1.21 0.53 2qb8A1 ILE 287 HG23 0.06 -0.07 -0.01 -0.04 0.93 0.87 2qb8A1 ILE 287 HD13 0.13 -0.03 -0.17 -0.04 0.88 0.76 2qb8A1 VAL 288 H -0.00 0.20 0.19 -0.55 8.24 8.08 2qb8A1 VAL 288 HA 0.04 0.23 0.63 -0.75 4.13 4.28 2qb8A1 VAL 288 HB -0.05 -0.02 0.22 -0.04 2.12 2.23 2qb8A1 VAL 288 HG13 0.01 0.02 -0.04 -0.04 0.97 0.92 2qb8A1 VAL 288 HG23 -0.13 0.02 -0.02 -0.04 0.95 0.79 2qb8A1 LYS 289 H -0.10 0.10 -0.08 -0.55 8.42 7.79 2qb8A1 LYS 289 HA -0.40 0.19 0.81 -0.75 4.32 4.16 2qb8A1 LYS 289 HB2 -0.31 -0.02 -0.05 -0.04 1.87 1.45 2qb8A1 LYS 289 HB3 -0.78 -0.09 0.05 -0.04 1.79 0.93 2qb8A1 LYS 289 HG2 -0.60 -0.04 -0.22 -0.04 1.46 0.56 2qb8A1 LYS 289 HG3 -2.05 0.02 -0.06 -0.04 1.46 -0.68 2qb8A1 LYS 289 HD2 -0.60 0.11 0.17 -0.04 1.69 1.33 2qb8A1 LYS 289 HD3 -0.65 0.24 0.04 -0.04 1.68 1.27 2qb8A1 LYS 289 HE2 -2.04 0.01 0.03 -0.04 2.99 0.95 2qb8A1 LYS 289 HE3 -1.67 -0.14 0.06 -0.04 2.99 1.19 2qb8A1 ARG 290 H -0.76 0.14 0.06 -0.55 8.46 7.34 2qb8A1 ARG 290 HA -0.44 0.15 0.34 -0.75 4.34 3.62 2qb8A1 ARG 290 HB2 -0.93 -0.04 0.04 -0.04 1.90 0.92 2qb8A1 ARG 290 HB3 -2.88 0.13 -0.01 -0.04 1.80 -1.01 2qb8A1 ARG 290 HG2 -0.69 0.06 0.05 -0.04 1.67 1.05 2qb8A1 ARG 290 HG3 -0.45 -0.33 -0.16 -0.04 1.67 0.68 2qb8A1 ARG 290 HD2 -1.04 0.09 -0.04 -0.04 3.22 2.20 2qb8A1 ARG 290 HD3 -0.39 0.04 -0.04 -0.04 3.22 2.79 2qb8A1 MET 291 H -0.24 0.19 0.08 -0.55 8.47 7.96 2qb8A1 MET 291 HA -0.52 0.14 0.25 -0.75 4.52 3.63 2qb8A1 MET 291 HB2 -0.14 -0.01 0.06 -0.04 2.15 2.02 2qb8A1 MET 291 HB3 -0.87 0.02 -0.05 -0.04 2.03 1.10 2qb8A1 MET 291 HG2 0.10 -0.01 -0.00 -0.04 2.63 2.68 2qb8A1 MET 291 HG3 0.15 0.02 -0.06 -0.04 2.56 2.63 2qb8A1 MET 291 HE3 -0.08 0.00 -0.09 -0.04 2.10 1.89 2qb8A1 SER 292 H -0.36 0.11 -0.21 -0.55 8.46 7.45 2qb8A1 SER 292 HA -0.25 0.06 0.29 -0.75 4.49 3.83 2qb8A1 SER 292 HB2 -0.08 0.07 0.02 -0.04 3.95 3.92 2qb8A1 SER 292 HB3 -0.14 0.03 0.05 -0.04 3.93 3.82 2qb8A1 TRP 293 H -0.11 0.10 -0.37 -0.55 7.97 7.04 2qb8A1 TRP 293 HA -0.17 0.08 0.41 -0.75 4.62 4.18 2qb8A1 TRP 293 HB2 -0.30 -0.07 0.05 -0.04 3.23 2.87 2qb8A1 TRP 293 HB3 -0.29 0.12 0.02 -0.04 3.23 3.04 2qb8A1 TRP 293 HD1 -0.15 -0.03 0.00 -0.04 7.22 7.00 2qb8A1 TRP 293 HE1 -0.10 0.03 -0.00 -0.04 10.20 10.09 2qb8A1 TRP 293 HE3 -0.09 -0.00 -0.43 -0.04 7.59 7.02 2qb8A1 TRP 293 HZ2 -0.09 0.03 -0.02 -0.04 7.44 7.33 2qb8A1 TRP 293 HZ3 0.07 0.06 -0.15 -0.04 7.13 7.06 2qb8A1 TRP 293 HH2 -0.05 0.12 -0.28 -0.04 7.19 6.94 2qb8A1 LEU 294 H -0.03 0.43 -0.20 -0.55 8.37 8.01 2qb8A1 LEU 294 HA 0.24 0.09 0.28 -0.75 4.35 4.20 2qb8A1 LEU 294 HB2 -0.61 0.01 0.05 -0.04 1.64 1.05 2qb8A1 LEU 294 HB3 -0.55 -0.01 -0.09 -0.04 1.64 0.94 2qb8A1 LEU 294 HG 0.12 0.06 -0.22 -0.04 1.64 1.56 2qb8A1 LEU 294 HD13 -0.04 -0.03 -0.20 -0.04 0.93 0.63 2qb8A1 LEU 294 HD23 0.39 0.00 -0.10 -0.04 0.89 1.14 2qb8A1 PHE 295 H -0.38 0.63 -0.19 -0.55 8.34 7.84 2qb8A1 PHE 295 HA -0.09 0.04 0.16 -0.75 4.62 3.98 2qb8A1 PHE 295 HB2 -0.10 0.14 0.09 -0.04 3.15 3.24 2qb8A1 PHE 295 HB3 -0.05 -0.22 -0.11 -0.04 3.06 2.64 2qb8A1 PHE 295 HD2 -0.26 0.01 -0.13 -0.04 7.28 6.86 2qb8A1 PHE 295 HE2 -0.05 0.02 -0.10 -0.04 7.38 7.20 2qb8A1 PHE 295 HZ 0.01 -0.00 -0.10 -0.04 7.32 7.19 2qb8A1 ASN 296 H -0.08 0.54 -0.16 -0.55 8.53 8.29 2qb8A1 ASN 296 HA -0.07 -0.06 0.29 -0.75 4.76 4.17 2qb8A1 ASN 296 HB2 -0.12 0.00 0.13 -0.04 2.88 2.85 2qb8A1 ASN 296 HB3 -0.33 0.09 0.10 -0.04 2.79 2.61 2qb8A1 ASN 296 HD21 -0.16 -0.01 -0.03 -0.04 7.03 6.79 2qb8A1 ASN 296 HD22 -0.31 0.03 -0.08 -0.04 7.74 7.34 2qb8A1 GLU 297 H -0.40 0.45 -0.32 -0.55 8.60 7.79 2qb8A1 GLU 297 HA -0.45 0.08 0.66 -0.75 4.29 3.83 2qb8A1 GLU 297 HB2 -0.66 0.08 0.04 -0.04 2.09 1.51 2qb8A1 GLU 297 HB3 -0.78 0.00 0.09 -0.04 1.99 1.26 2qb8A1 GLU 297 HG2 -1.45 -0.01 -0.01 -0.04 2.34 0.83 2qb8A1 GLU 297 HG3 -2.73 -0.03 -0.04 -0.04 2.34 -0.50 2qb8A1 HIS 298 H -0.01 0.37 -0.33 -0.55 8.41 7.89 2qb8A1 HIS 298 HA 0.02 0.21 0.90 -0.75 4.63 5.01 2qb8A1 HIS 298 HB2 0.33 0.08 0.07 -0.04 3.26 3.70 2qb8A1 HIS 298 HB3 0.19 -0.12 0.14 -0.04 3.20 3.37 2qb8A1 HIS 298 HD2 0.07 -0.10 0.03 -0.04 6.97 6.93 2qb8A1 HIS 298 HE1 0.20 0.05 -0.12 -0.04 7.75 7.83 2qb8A1 GLY 299 H -0.03 0.25 -0.12 -0.55 8.43 7.99 2qb8A1 GLY 299 HA2 -0.01 0.03 0.29 -0.51 4.01 3.82 2qb8A1 GLY 299 HA3 0.03 0.07 0.40 -0.51 4.01 4.00 2qb8A1 GLY 300 H 0.06 0.51 -0.14 -0.55 8.43 8.30 2qb8A1 GLY 300 HA2 0.01 0.02 0.20 -0.51 4.01 3.73 2qb8A1 GLY 300 HA3 -0.03 0.14 0.68 -0.51 4.01 4.30 2qb8A1 GLU 301 H -0.22 0.18 0.11 -0.55 8.60 8.13 2qb8A1 GLU 301 HA -1.25 0.06 0.28 -0.75 4.29 2.63 2qb8A1 GLU 301 HB2 -0.70 0.03 0.11 -0.04 2.09 1.49 2qb8A1 GLU 301 HB3 -0.32 0.00 0.11 -0.04 1.99 1.75 2qb8A1 GLU 301 HG2 -0.34 0.02 -0.25 -0.04 2.34 1.74 2qb8A1 GLU 301 HG3 -1.07 -0.02 -0.02 -0.04 2.34 1.19 2qb8A1 ALA 302 H -0.13 0.13 -0.14 -0.55 8.40 7.71 2qb8A1 ALA 302 HA -0.08 0.06 0.33 -0.75 4.34 3.90 2qb8A1 ALA 302 HB3 -0.05 0.03 0.05 -0.04 1.41 1.40 2qb8A1 ASP 303 H -0.02 0.17 -0.24 -0.55 8.40 7.76 2qb8A1 ASP 303 HA 0.00 0.02 0.39 -0.75 4.63 4.29 2qb8A1 ASP 303 HB2 0.04 0.08 -0.11 -0.04 2.71 2.69 2qb8A1 ASP 303 HB3 0.07 0.21 -0.01 -0.04 2.70 2.94 2qb8A1 PHE 304 H 0.15 0.46 -0.25 -0.55 8.34 8.14 2qb8A1 PHE 304 HA 0.04 0.04 0.34 -0.75 4.62 4.28 2qb8A1 PHE 304 HB2 0.17 0.11 -0.04 -0.04 3.15 3.35 2qb8A1 PHE 304 HB3 0.03 0.03 0.04 -0.04 3.06 3.13 2qb8A1 PHE 304 HD2 0.17 0.06 -0.21 -0.04 7.28 7.26 2qb8A1 PHE 304 HE2 0.02 0.02 -0.12 -0.04 7.38 7.26 2qb8A1 PHE 304 HZ 0.03 0.03 -0.12 -0.04 7.32 7.22 2qb8A1 VAL 305 H 0.09 0.64 -0.08 -0.55 8.24 8.34 2qb8A1 VAL 305 HA 0.08 -0.01 0.35 -0.75 4.13 3.80 2qb8A1 VAL 305 HB -0.01 0.09 0.12 -0.04 2.12 2.28 2qb8A1 VAL 305 HG13 0.02 -0.01 -0.09 -0.04 0.97 0.86 2qb8A1 VAL 305 HG23 0.07 0.02 -0.01 -0.04 0.95 0.99 2qb8A1 ASN 306 H -0.01 0.58 -0.20 -0.55 8.53 8.34 2qb8A1 ASN 306 HA -0.02 -0.00 0.45 -0.75 4.76 4.44 2qb8A1 ASN 306 HB2 -0.02 0.01 0.12 -0.04 2.88 2.95 2qb8A1 ASN 306 HB3 -0.02 0.19 0.19 -0.04 2.79 3.10 2qb8A1 ASN 306 HD21 -0.01 -0.02 -0.05 -0.04 7.03 6.90 2qb8A1 ASN 306 HD22 -0.01 0.05 -0.02 -0.04 7.74 7.71 2qb8A1 GLN 307 H -0.10 0.52 -0.16 -0.55 8.47 8.19 2qb8A1 GLN 307 HA -0.06 0.01 0.45 -0.75 4.36 4.00 2qb8A1 GLN 307 HB2 -0.29 0.18 0.18 -0.04 2.15 2.18 2qb8A1 GLN 307 HB3 -0.17 -0.15 0.04 -0.04 2.02 1.70 2qb8A1 GLN 307 HG2 -0.05 0.21 0.09 -0.04 2.40 2.61 2qb8A1 GLN 307 HG3 -0.06 -0.05 0.05 -0.04 2.39 2.29 2qb8A1 GLN 307 HE21 -0.01 -0.00 -0.00 -0.04 6.97 6.91 2qb8A1 GLN 307 HE22 -0.01 0.06 0.00 -0.04 7.69 7.69 2qb8A1 CYS 308 H -0.21 0.50 -0.17 -0.55 8.50 8.07 2qb8A1 CYS 308 HA -0.11 0.01 0.44 -0.75 4.58 4.16 2qb8A1 CYS 308 HB2 -0.03 0.16 0.12 -0.04 2.97 3.18 2qb8A1 CYS 308 HB3 0.00 -0.04 -0.08 -0.04 2.97 2.81 2qb8A1 ARG 309 H -0.02 0.56 -0.12 -0.55 8.46 8.33 2qb8A1 ARG 309 HA 0.03 0.01 0.44 -0.75 4.34 4.06 2qb8A1 ARG 309 HB2 -0.00 0.13 0.19 -0.04 1.90 2.17 2qb8A1 ARG 309 HB3 0.01 -0.03 0.02 -0.04 1.80 1.75 2qb8A1 ARG 309 HG2 0.01 0.07 0.03 -0.04 1.67 1.74 2qb8A1 ARG 309 HG3 0.01 -0.03 -0.00 -0.04 1.67 1.61 2qb8A1 ARG 309 HD2 0.02 -0.00 0.01 -0.04 3.22 3.21 2qb8A1 ARG 309 HD3 0.03 -0.03 -0.03 -0.04 3.22 3.15 2qb8A1 ARG 310 H -0.00 0.50 -0.21 -0.55 8.46 8.20 2qb8A1 ARG 310 HA -0.01 0.02 0.41 -0.75 4.34 4.01 2qb8A1 ARG 310 HB2 -0.01 0.10 0.21 -0.04 1.90 2.15 2qb8A1 ARG 310 HB3 0.00 -0.03 -0.05 -0.04 1.80 1.68 2qb8A1 ARG 310 HG2 -0.01 -0.03 0.04 -0.04 1.67 1.63 2qb8A1 ARG 310 HG3 -0.01 0.04 -0.00 -0.04 1.67 1.65 2qb8A1 ARG 310 HD2 -0.01 -0.01 -0.02 -0.04 3.22 3.14 2qb8A1 ARG 310 HD3 -0.01 -0.01 -0.00 -0.04 3.22 3.16 2qb8A1 PHE 311 H 0.12 0.50 -0.18 -0.55 8.34 8.23 2qb8A1 PHE 311 HA -0.08 0.00 0.43 -0.75 4.62 4.22 2qb8A1 PHE 311 HB2 -0.11 -0.02 0.08 -0.04 3.15 3.06 2qb8A1 PHE 311 HB3 -0.09 0.13 0.13 -0.04 3.06 3.18 2qb8A1 PHE 311 HD2 -0.10 -0.02 -0.15 -0.04 7.28 6.97 2qb8A1 PHE 311 HE2 -0.28 -0.00 -0.12 -0.04 7.38 6.94 2qb8A1 PHE 311 HZ -1.03 0.04 -0.19 -0.04 7.32 6.10 2qb8A1 GLN 312 H 0.13 0.55 -0.18 -0.55 8.47 8.43 2qb8A1 GLN 312 HA 0.04 -0.02 0.35 -0.75 4.36 3.99 2qb8A1 GLN 312 HB2 0.09 0.01 0.07 -0.04 2.15 2.28 2qb8A1 GLN 312 HB3 0.04 0.14 0.14 -0.04 2.02 2.29 2qb8A1 GLN 312 HG2 0.01 0.08 -0.25 -0.04 2.40 2.21 2qb8A1 GLN 312 HG3 0.05 -0.10 -0.21 -0.04 2.39 2.09 2qb8A1 GLN 312 HE21 0.02 -0.13 -0.11 -0.04 6.97 6.71 2qb8A1 GLN 312 HE22 0.02 0.34 -0.20 -0.04 7.69 7.81 2qb8A1 ALA 313 H -0.02 0.54 -0.14 -0.55 8.40 8.24 2qb8A1 ALA 313 HA -0.03 0.02 0.38 -0.75 4.34 3.96 2qb8A1 ALA 313 HB3 -0.02 0.01 0.09 -0.04 1.41 1.44 2qb8A1 GLU 314 H -0.10 0.54 -0.11 -0.55 8.60 8.38 2qb8A1 GLU 314 HA -0.09 0.01 0.48 -0.75 4.29 3.93 2qb8A1 GLU 314 HB2 -0.25 0.10 0.15 -0.04 2.09 2.05 2qb8A1 GLU 314 HB3 -0.19 -0.06 -0.02 -0.04 1.99 1.69 2qb8A1 GLU 314 HG2 -0.08 -0.05 0.04 -0.04 2.34 2.21 2qb8A1 GLU 314 HG3 -0.07 0.07 0.09 -0.04 2.34 2.38 2qb8A1 ARG 315 H -0.27 0.45 -0.28 -0.55 8.46 7.81 2qb8A1 ARG 315 HA -0.17 0.10 0.67 -0.75 4.34 4.19 2qb8A1 ARG 315 HB2 -0.32 0.08 0.04 -0.04 1.90 1.66 2qb8A1 ARG 315 HB3 -0.13 -0.08 0.07 -0.04 1.80 1.62 2qb8A1 ARG 315 HG2 -0.87 0.00 -0.07 -0.04 1.67 0.69 2qb8A1 ARG 315 HG3 -0.90 0.00 -0.06 -0.04 1.67 0.68 2qb8A1 ARG 315 HD2 -0.17 0.02 0.01 -0.04 3.22 3.03 2qb8A1 ARG 315 HD3 -0.31 -0.01 -0.09 -0.04 3.22 2.78 2qb8A1 GLY 316 H -0.09 0.32 -0.42 -0.55 8.43 7.70 2qb8A1 GLY 316 HA2 -0.04 0.04 0.27 -0.51 4.01 3.77 2qb8A1 GLY 316 HA3 -0.04 -0.02 0.27 -0.51 4.01 3.72 2qb8A1 LEU 317 H -0.03 0.50 -0.05 -0.55 8.37 8.24 2qb8A1 LEU 317 HA -0.02 0.08 0.46 -0.75 4.35 4.12 2qb8A1 LEU 317 HB2 0.03 -0.06 -0.07 -0.04 1.64 1.50 2qb8A1 LEU 317 HB3 0.03 0.07 -0.10 -0.04 1.64 1.60 2qb8A1 LEU 317 HG -0.01 0.04 -0.25 -0.04 1.64 1.38 2qb8A1 LEU 317 HD13 0.20 -0.03 -0.01 -0.04 0.93 1.05 2qb8A1 LEU 317 HD23 0.06 -0.02 -0.28 -0.04 0.89 0.61 2qb8A1 ASP 318 H -0.04 0.30 0.37 -0.55 8.40 8.48 2qb8A1 ASP 318 HA -0.01 0.06 0.79 -0.75 4.63 4.72 2qb8A1 ASP 318 HB2 -0.07 0.08 0.20 -0.04 2.71 2.88 2qb8A1 ASP 318 HB3 -0.02 -0.11 0.11 -0.04 2.70 2.64 2qb8A1 VAL 319 H -0.03 0.46 0.25 -0.55 8.24 8.37 2qb8A1 VAL 319 HA 0.02 0.33 1.02 -0.75 4.13 4.74 2qb8A1 VAL 319 HB -0.07 -0.05 0.04 -0.04 2.12 2.00 2qb8A1 VAL 319 HG13 0.03 -0.00 -0.18 -0.04 0.97 0.78 2qb8A1 VAL 319 HG23 -0.01 -0.03 -0.22 -0.04 0.95 0.64 2qb8A1 LEU 320 H 0.07 0.72 0.37 -0.55 8.37 8.97 2qb8A1 LEU 320 HA 0.13 0.21 0.93 -0.75 4.35 4.87 2qb8A1 LEU 320 HB2 0.16 0.01 0.02 -0.04 1.64 1.79 2qb8A1 LEU 320 HB3 0.11 -0.03 0.13 -0.04 1.64 1.81 2qb8A1 LEU 320 HG 0.13 -0.04 -0.30 -0.04 1.64 1.39 2qb8A1 LEU 320 HD13 0.29 0.03 -0.06 -0.04 0.93 1.16 2qb8A1 LEU 320 HD23 0.14 -0.02 -0.08 -0.04 0.89 0.88 2qb8A1 VAL 321 H 0.12 0.70 0.40 -0.55 8.24 8.91 2qb8A1 VAL 321 HA 0.11 0.30 1.19 -0.75 4.13 4.98 2qb8A1 VAL 321 HB 0.09 -0.04 0.13 -0.04 2.12 2.26 2qb8A1 VAL 321 HG13 0.10 -0.00 -0.13 -0.04 0.97 0.89 2qb8A1 VAL 321 HG23 0.07 -0.01 -0.17 -0.04 0.95 0.80 2qb8A1 LEU 322 H 0.13 0.66 0.38 -0.55 8.37 9.00 2qb8A1 LEU 322 HA 0.12 0.28 1.08 -0.75 4.35 5.08 2qb8A1 LEU 322 HB2 0.16 -0.14 0.03 -0.04 1.64 1.65 2qb8A1 LEU 322 HB3 0.14 0.07 0.01 -0.04 1.64 1.82 2qb8A1 LEU 322 HG 0.16 0.00 -0.09 -0.04 1.64 1.67 2qb8A1 LEU 322 HD13 0.29 -0.01 -0.11 -0.04 0.93 1.06 2qb8A1 LEU 322 HD23 0.08 0.01 -0.30 -0.04 0.89 0.64 2qb8A1 LEU 323 H 0.11 0.77 0.36 -0.55 8.37 9.07 2qb8A1 LEU 323 HA 0.13 0.31 1.11 -0.75 4.35 5.15 2qb8A1 LEU 323 HB2 0.09 -0.05 0.23 -0.04 1.64 1.87 2qb8A1 LEU 323 HB3 0.09 0.06 0.09 -0.04 1.64 1.83 2qb8A1 LEU 323 HG 0.09 -0.03 -0.27 -0.04 1.64 1.39 2qb8A1 LEU 323 HD13 0.06 -0.02 -0.10 -0.04 0.93 0.83 2qb8A1 LEU 323 HD23 0.09 0.03 -0.07 -0.04 0.89 0.90 2qb8A1 THR 324 H 0.18 0.35 0.28 -0.55 8.28 8.54 2qb8A1 THR 324 HA 0.15 0.38 1.07 -0.75 4.39 5.23 2qb8A1 THR 324 HB 0.21 0.14 -0.14 -0.04 4.32 4.49 2qb8A1 THR 324 HG23 0.09 -0.04 -0.13 -0.04 1.22 1.10 2qb8A1 SER 325 H 0.21 0.59 0.32 -0.55 8.46 9.03 2qb8A1 SER 325 HA 0.11 0.25 0.66 -0.75 4.49 4.75 2qb8A1 SER 325 HB2 0.00 0.04 0.16 -0.04 3.95 4.11 2qb8A1 SER 325 HB3 0.06 0.03 0.03 -0.04 3.93 4.01 2qb8A1 TRP 326 H -0.23 0.55 0.34 -0.55 7.97 8.08 2qb8A1 TRP 326 HA -0.04 0.17 0.49 -0.75 4.62 4.50 2qb8A1 TRP 326 HB2 -0.09 0.02 0.20 -0.04 3.23 3.32 2qb8A1 TRP 326 HB3 -0.10 0.12 -0.14 -0.04 3.23 3.07 2qb8A1 TRP 326 HD1 -0.09 0.07 -0.32 -0.04 7.22 6.84 2qb8A1 TRP 326 HE1 -0.35 0.01 -0.13 -0.04 10.20 9.69 2qb8A1 TRP 326 HE3 -0.03 -0.01 -0.59 -0.04 7.59 6.92 2qb8A1 TRP 326 HZ2 -0.28 0.04 -0.09 -0.04 7.44 7.07 2qb8A1 TRP 326 HZ3 -0.00 -0.04 -0.34 -0.04 7.13 6.70 2qb8A1 TRP 326 HH2 -0.08 0.02 -0.17 -0.04 7.19 6.92 2qb8A1 ARG 327 H 0.21 0.29 0.22 -0.55 8.46 8.63 2qb8A1 ARG 327 HA -0.04 0.39 0.97 -0.75 4.34 4.91 2qb8A1 ARG 327 HB2 0.02 0.02 -0.09 -0.04 1.90 1.81 2qb8A1 ARG 327 HB3 0.05 -0.01 0.06 -0.04 1.80 1.86 2qb8A1 ARG 327 HG2 0.02 -0.17 -0.17 -0.04 1.67 1.30 2qb8A1 ARG 327 HG3 -0.02 0.10 -0.28 -0.04 1.67 1.42 2qb8A1 ARG 327 HD2 0.02 0.02 -0.08 -0.04 3.22 3.13 2qb8A1 ARG 327 HD3 0.01 -0.02 -0.11 -0.04 3.22 3.07 2qb8A1 LYS 328 H 0.10 0.65 0.26 -0.55 8.42 8.88 2qb8A1 LYS 328 HA 0.09 0.00 0.54 -0.75 4.32 4.19 2qb8A1 LYS 328 HB2 0.23 0.00 -0.03 -0.04 1.87 2.03 2qb8A1 LYS 328 HB3 0.14 0.00 0.04 -0.04 1.79 1.93 2qb8A1 LYS 328 HG2 0.07 -0.01 -0.01 -0.04 1.46 1.48 2qb8A1 LYS 328 HG3 0.06 0.02 -0.12 -0.04 1.46 1.38 2qb8A1 LYS 328 HD2 0.05 -0.13 0.19 -0.04 1.69 1.76 2qb8A1 LYS 328 HD3 0.05 0.05 0.11 -0.04 1.68 1.85 2qb8A1 LYS 328 HE2 0.03 -0.00 0.02 -0.04 2.99 3.00 2qb8A1 LYS 328 HE3 0.02 0.01 0.05 -0.04 2.99 3.03 2qb8A1 ALA 329 H 0.05 0.21 0.12 -0.55 8.40 8.23 2qb8A1 ALA 329 HA 0.03 0.06 0.33 -0.75 4.34 4.01 2qb8A1 ALA 329 HB3 0.04 0.07 0.03 -0.04 1.41 1.51 2qb8A1 GLY 330 H 0.03 -0.00 -0.26 -0.55 8.43 7.65 2qb8A1 GLY 330 HA2 0.01 0.00 0.21 -0.51 4.01 3.72 2qb8A1 GLY 330 HA3 0.00 0.11 0.45 -0.51 4.01 4.06 2qb8A1 ASP 331 H 0.02 0.16 -0.29 -0.55 8.40 7.75 2qb8A1 ASP 331 HA -0.09 0.16 0.91 -0.75 4.63 4.86 2qb8A1 ASP 331 HB2 0.10 0.11 0.08 -0.04 2.71 2.95 2qb8A1 ASP 331 HB3 -0.20 0.05 -0.04 -0.04 2.70 2.47 2qb8A1 SER 332 H -0.19 0.16 0.17 -0.55 8.46 8.05 2qb8A1 SER 332 HA -0.20 0.21 0.90 -0.75 4.49 4.64 2qb8A1 SER 332 HB2 -0.12 0.00 0.06 -0.04 3.95 3.86 2qb8A1 SER 332 HB3 -0.17 0.00 0.13 -0.04 3.93 3.84 2qb8A1 HIS 333 H -0.54 0.64 0.43 -0.55 8.41 8.40 2qb8A1 HIS 333 HA -0.44 0.19 0.77 -0.75 4.63 4.39 2qb8A1 HIS 333 HB2 -2.82 -0.09 -0.03 -0.04 3.26 0.28 2qb8A1 HIS 333 HB3 -1.06 -0.01 0.03 -0.04 3.20 2.11 2qb8A1 HIS 333 HD2 -0.49 0.09 -0.27 -0.04 6.97 6.25 2qb8A1 HIS 333 HE1 -0.04 -0.01 -0.05 -0.04 7.75 7.60 2qb8A1 ARG 334 H -0.21 0.32 0.24 -0.55 8.46 8.25 2qb8A1 ARG 334 HA -0.02 0.22 0.80 -0.75 4.34 4.58 2qb8A1 ARG 334 HB2 -0.04 0.00 0.05 -0.04 1.90 1.88 2qb8A1 ARG 334 HB3 0.05 0.00 0.11 -0.04 1.80 1.91 2qb8A1 ARG 334 HG2 0.01 0.10 0.23 -0.04 1.67 1.96 2qb8A1 ARG 334 HG3 -0.11 0.00 -0.28 -0.04 1.67 1.24 2qb8A1 ARG 334 HD2 -0.03 0.00 -0.05 -0.04 3.22 3.10 2qb8A1 ARG 334 HD3 0.01 0.00 -0.01 -0.04 3.22 3.18 2qb8A1 GLU 335 H 0.25 0.38 0.31 -0.55 8.60 9.00 2qb8A1 GLU 335 HA 0.26 0.18 0.83 -0.75 4.29 4.80 2qb8A1 GLU 335 HB2 0.30 -0.10 0.05 -0.04 2.09 2.29 2qb8A1 GLU 335 HB3 0.42 0.08 0.13 -0.04 1.99 2.58 2qb8A1 GLU 335 HG2 0.29 0.07 0.01 -0.04 2.34 2.66 2qb8A1 GLU 335 HG3 0.53 -0.03 -0.46 -0.04 2.34 2.34 2qb8A1 LEU 336 H 0.30 0.60 0.29 -0.55 8.37 9.02 2qb8A1 LEU 336 HA 0.17 0.35 0.97 -0.75 4.35 5.09 2qb8A1 LEU 336 HB2 0.13 0.04 -0.09 -0.04 1.64 1.68 2qb8A1 LEU 336 HB3 0.19 -0.07 0.05 -0.04 1.64 1.77 2qb8A1 LEU 336 HG 0.11 0.07 -0.02 -0.04 1.64 1.77 2qb8A1 LEU 336 HD13 0.04 -0.00 -0.11 -0.04 0.93 0.81 2qb8A1 LEU 336 HD23 0.11 -0.02 -0.35 -0.04 0.89 0.59 2qb8A1 VAL 337 H 0.17 0.71 0.38 -0.55 8.24 8.95 2qb8A1 VAL 337 HA 0.17 0.24 1.10 -0.75 4.13 4.88 2qb8A1 VAL 337 HB 0.16 -0.04 0.13 -0.04 2.12 2.34 2qb8A1 VAL 337 HG13 0.13 0.01 -0.16 -0.04 0.97 0.91 2qb8A1 VAL 337 HG23 0.14 -0.04 -0.11 -0.04 0.95 0.90 2qb8A1 ILE 338 H 0.16 0.60 0.35 -0.55 8.25 8.80 2qb8A1 ILE 338 HA 0.11 0.33 1.14 -0.75 4.18 5.01 2qb8A1 ILE 338 HB 0.14 -0.02 -0.15 -0.04 1.89 1.82 2qb8A1 ILE 338 HG12 0.09 -0.03 -0.24 -0.04 1.49 1.26 2qb8A1 ILE 338 HG13 0.08 0.13 0.03 -0.04 1.21 1.41 2qb8A1 ILE 338 HG23 0.21 0.01 -0.07 -0.04 0.93 1.04 2qb8A1 ILE 338 HD13 0.07 -0.01 -0.12 -0.04 0.88 0.79 2qb8A1 LEU 339 H 0.08 0.68 0.39 -0.55 8.37 8.99 2qb8A1 LEU 339 HA 0.06 0.39 1.03 -0.75 4.35 5.08 2qb8A1 LEU 339 HB2 0.07 -0.05 0.12 -0.04 1.64 1.74 2qb8A1 LEU 339 HB3 0.05 0.04 0.08 -0.04 1.64 1.76 2qb8A1 LEU 339 HG 0.08 0.03 -0.23 -0.04 1.64 1.48 2qb8A1 LEU 339 HD13 0.11 -0.01 -0.22 -0.04 0.93 0.76 2qb8A1 LEU 339 HD23 0.06 -0.01 -0.09 -0.04 0.89 0.80 2qb8A1 GLY 340 H 0.04 0.69 0.38 -0.55 8.43 9.00 2qb8A1 GLY 340 HA2 0.03 0.15 0.44 -0.51 4.01 4.13 2qb8A1 GLY 340 HA3 0.04 0.05 0.64 -0.51 4.01 4.23 2qb8A1 ASP 341 H 0.03 0.26 0.23 -0.55 8.40 8.37 2qb8A1 ASP 341 HA 0.03 0.11 0.54 -0.75 4.63 4.56 2qb8A1 ASP 341 HB2 0.03 0.14 0.21 -0.04 2.71 3.04 2qb8A1 ASP 341 HB3 0.04 -0.13 0.16 -0.04 2.70 2.73 2qb8A1 SER 342 H 0.03 0.21 0.20 -0.55 8.46 8.35 2qb8A1 SER 342 HA 0.04 0.09 0.22 -0.75 4.49 4.09 2qb8A1 SER 342 HB2 0.03 0.01 0.08 -0.04 3.95 4.03 2qb8A1 SER 342 HB3 0.03 0.09 -0.03 -0.04 3.93 3.97 2qb8A1 ASN 343 H 0.03 0.07 -0.14 -0.55 8.53 7.95 2qb8A1 ASN 343 HA 0.04 0.08 0.43 -0.75 4.76 4.56 2qb8A1 ASN 343 HB2 0.04 -0.04 0.07 -0.04 2.88 2.91 2qb8A1 ASN 343 HB3 0.04 0.07 0.01 -0.04 2.79 2.87 2qb8A1 ASN 343 HD21 0.02 0.05 0.04 -0.04 7.03 7.10 2qb8A1 ASN 343 HD22 0.03 -0.01 0.04 -0.04 7.74 7.76 2qb8A1 VAL 344 H 0.06 0.12 -0.17 -0.55 8.24 7.69 2qb8A1 VAL 344 HA 0.09 0.09 0.31 -0.75 4.13 3.87 2qb8A1 VAL 344 HB 0.07 0.04 0.11 -0.04 2.12 2.29 2qb8A1 VAL 344 HG13 0.13 0.01 -0.14 -0.04 0.97 0.93 2qb8A1 VAL 344 HG23 0.10 0.00 0.01 -0.04 0.95 1.03 2qb8A1 VAL 345 H 0.06 0.62 -0.11 -0.55 8.24 8.26 2qb8A1 VAL 345 HA 0.07 0.03 0.24 -0.75 4.13 3.71 2qb8A1 VAL 345 HB 0.08 -0.06 -0.14 -0.04 2.12 1.97 2qb8A1 VAL 345 HG13 0.05 0.06 -0.25 -0.04 0.97 0.80 2qb8A1 VAL 345 HG23 0.07 0.01 -0.17 -0.04 0.95 0.81 2qb8A1 ARG 346 H 0.06 0.56 -0.24 -0.55 8.46 8.28 2qb8A1 ARG 346 HA 0.07 -0.08 0.38 -0.75 4.34 3.96 2qb8A1 ARG 346 HB2 0.05 0.02 -0.05 -0.04 1.90 1.88 2qb8A1 ARG 346 HB3 0.04 0.16 0.08 -0.04 1.80 2.04 2qb8A1 ARG 346 HG2 0.04 0.03 -0.22 -0.04 1.67 1.48 2qb8A1 ARG 346 HG3 0.05 -0.12 -0.00 -0.04 1.67 1.56 2qb8A1 ARG 346 HD2 0.03 0.05 -0.07 -0.04 3.22 3.19 2qb8A1 ARG 346 HD3 0.03 0.03 -0.06 -0.04 3.22 3.18 2qb8A1 GLU 347 H 0.05 0.40 -0.26 -0.55 8.60 8.25 2qb8A1 GLU 347 HA 0.03 0.01 0.37 -0.75 4.29 3.95 2qb8A1 GLU 347 HB2 0.06 0.09 0.15 -0.04 2.09 2.35 2qb8A1 GLU 347 HB3 0.03 0.01 -0.02 -0.04 1.99 1.97 2qb8A1 GLU 347 HG2 0.02 -0.03 0.02 -0.04 2.34 2.30 2qb8A1 GLU 347 HG3 0.03 -0.04 0.05 -0.04 2.34 2.34 2qb8A1 LEU 348 H 0.07 0.63 -0.05 -0.55 8.37 8.47 2qb8A1 LEU 348 HA 0.07 0.05 0.37 -0.75 4.35 4.08 2qb8A1 LEU 348 HB2 0.07 0.05 0.09 -0.04 1.64 1.81 2qb8A1 LEU 348 HB3 0.07 -0.05 -0.10 -0.04 1.64 1.52 2qb8A1 LEU 348 HG 0.14 0.16 -0.03 -0.04 1.64 1.87 2qb8A1 LEU 348 HD13 0.08 -0.03 -0.13 -0.04 0.93 0.82 2qb8A1 LEU 348 HD23 0.22 0.00 -0.09 -0.04 0.89 0.99 2qb8A1 ILE 349 H 0.02 0.61 -0.18 -0.55 8.25 8.15 2qb8A1 ILE 349 HA -0.09 0.01 0.29 -0.75 4.18 3.63 2qb8A1 ILE 349 HB 0.00 0.09 0.09 -0.04 1.89 2.04 2qb8A1 ILE 349 HG12 0.03 0.16 -0.00 -0.04 1.49 1.64 2qb8A1 ILE 349 HG13 0.06 -0.08 -0.10 -0.04 1.21 1.06 2qb8A1 ILE 349 HG23 -0.37 -0.02 -0.19 -0.04 0.93 0.31 2qb8A1 ILE 349 HD13 -0.13 -0.01 -0.15 -0.04 0.88 0.55 2qb8A1 GLU 350 H 0.00 0.60 -0.10 -0.55 8.60 8.56 2qb8A1 GLU 350 HA -0.02 -0.04 0.41 -0.75 4.29 3.88 2qb8A1 GLU 350 HB2 0.01 0.17 0.16 -0.04 2.09 2.38 2qb8A1 GLU 350 HB3 -0.00 -0.03 0.02 -0.04 1.99 1.94 2qb8A1 GLU 350 HG2 0.02 -0.07 0.05 -0.04 2.34 2.30 2qb8A1 GLU 350 HG3 0.03 0.01 0.09 -0.04 2.34 2.43 2qb8A1 ARG 351 H -0.01 0.40 -0.50 -0.55 8.46 7.80 2qb8A1 ARG 351 HA -0.03 0.07 0.60 -0.75 4.34 4.22 2qb8A1 ARG 351 HB2 0.00 0.17 0.14 -0.04 1.90 2.17 2qb8A1 ARG 351 HB3 -0.02 -0.06 0.06 -0.04 1.80 1.73 2qb8A1 ARG 351 HG2 -0.02 -0.05 0.04 -0.04 1.67 1.60 2qb8A1 ARG 351 HG3 -0.01 -0.05 -0.04 -0.04 1.67 1.54 2qb8A1 ARG 351 HD2 0.01 0.04 -0.09 -0.04 3.22 3.13 2qb8A1 ARG 351 HD3 -0.01 0.02 0.03 -0.04 3.22 3.23 2qb8A1 VAL 352 H -0.05 0.37 -0.15 -0.55 8.24 7.87 2qb8A1 VAL 352 HA -0.10 0.19 0.98 -0.75 4.13 4.45 2qb8A1 VAL 352 HB -0.01 -0.11 0.07 -0.04 2.12 2.04 2qb8A1 VAL 352 HG13 0.02 0.03 -0.24 -0.04 0.97 0.75 2qb8A1 VAL 352 HG23 -0.04 0.03 -0.11 -0.04 0.95 0.79 2qb8A1 SER 353 H -0.08 0.37 -0.13 -0.55 8.46 8.08 2qb8A1 SER 353 HA -0.12 -0.02 0.15 -0.75 4.49 3.75 2qb8A1 SER 353 HB2 -0.07 0.00 0.01 -0.04 3.95 3.86 2qb8A1 SER 353 HB3 -0.16 0.02 0.02 -0.04 3.93 3.77 2qb8A1 ASP 354 H -0.06 0.19 -0.17 -0.55 8.40 7.81 2qb8A1 ASP 354 HA -0.04 0.09 0.50 -0.75 4.63 4.43 2qb8A1 ASP 354 HB2 -0.06 0.02 0.07 -0.04 2.71 2.69 2qb8A1 ASP 354 HB3 -0.05 0.03 -0.03 -0.04 2.70 2.61 2qb8A1 LYS 355 H -0.13 0.14 -0.17 -0.55 8.42 7.71 2qb8A1 LYS 355 HA -0.12 0.07 0.37 -0.75 4.32 3.88 2qb8A1 LYS 355 HB2 -0.28 0.01 0.09 -0.04 1.87 1.64 2qb8A1 LYS 355 HB3 -0.34 0.08 0.10 -0.04 1.79 1.59 2qb8A1 LYS 355 HG2 -1.34 -0.01 -0.05 -0.04 1.46 0.03 2qb8A1 LYS 355 HG3 -0.30 -0.01 -0.11 -0.04 1.46 1.00 2qb8A1 LYS 355 HD2 -0.21 -0.00 0.02 -0.04 1.69 1.46 2qb8A1 LYS 355 HD3 -0.43 0.02 -0.00 -0.04 1.68 1.23 2qb8A1 LYS 355 HE2 -0.08 -0.00 -0.02 -0.04 2.99 2.85 2qb8A1 LYS 355 HE3 -0.06 -0.03 -0.03 -0.04 2.99 2.84 2qb8A1 LEU 356 H -0.08 0.45 -0.21 -0.55 8.37 7.99 2qb8A1 LEU 356 HA 0.02 0.09 0.52 -0.75 4.35 4.23 2qb8A1 LEU 356 HB2 -0.03 0.06 -0.03 -0.04 1.64 1.60 2qb8A1 LEU 356 HB3 0.02 -0.05 0.01 -0.04 1.64 1.58 2qb8A1 LEU 356 HG 0.06 0.03 -0.05 -0.04 1.64 1.64 2qb8A1 LEU 356 HD13 0.07 -0.01 -0.10 -0.04 0.93 0.85 2qb8A1 LEU 356 HD23 0.21 0.00 -0.10 -0.04 0.89 0.96 2qb8A1 GLN 357 H -0.03 0.29 -0.56 -0.55 8.47 7.62 2qb8A1 GLN 357 HA -0.01 0.12 0.35 -0.75 4.36 4.07 2qb8A1 GLN 357 HB2 0.00 -0.18 -0.06 -0.04 2.15 1.87 2qb8A1 GLN 357 HB3 0.01 -0.03 0.13 -0.04 2.02 2.09 2qb8A1 GLN 357 HG2 -0.01 0.05 0.02 -0.04 2.40 2.42 2qb8A1 GLN 357 HG3 -0.02 0.14 -0.21 -0.04 2.39 2.26 2qb8A1 GLN 357 HE21 -0.02 0.00 -0.06 -0.04 6.97 6.86 2qb8A1 GLN 357 HE22 -0.01 -0.01 -0.03 -0.04 7.69 7.60 2qb8A1 LEU 358 H -0.02 0.38 0.03 -0.55 8.37 8.21 2qb8A1 LEU 358 HA 0.10 0.37 0.61 -0.75 4.35 4.67 2qb8A1 LEU 358 HB2 -0.17 -0.06 0.05 -0.04 1.64 1.42 2qb8A1 LEU 358 HB3 -0.18 -0.06 -0.11 -0.04 1.64 1.25 2qb8A1 LEU 358 HG -0.10 -0.01 -0.13 -0.04 1.64 1.35 2qb8A1 LEU 358 HD13 -0.48 -0.01 -0.14 -0.04 0.93 0.26 2qb8A1 LEU 358 HD23 0.02 0.02 -0.21 -0.04 0.89 0.68 2qb8A1 GLN 359 H 0.25 0.61 0.34 -0.55 8.47 9.12 2qb8A1 GLN 359 HA 0.19 0.13 0.86 -0.75 4.36 4.78 2qb8A1 GLN 359 HB2 0.16 -0.09 0.20 -0.04 2.15 2.38 2qb8A1 GLN 359 HB3 0.13 0.05 0.05 -0.04 2.02 2.21 2qb8A1 GLN 359 HG2 0.09 0.04 -0.06 -0.04 2.40 2.43 2qb8A1 GLN 359 HG3 0.09 0.10 -0.23 -0.04 2.39 2.31 2qb8A1 GLN 359 HE21 0.04 -0.02 -0.01 -0.04 6.97 6.94 2qb8A1 GLN 359 HE22 0.05 0.02 -0.03 -0.04 7.69 7.68 2qb8A1 LEU 360 H 0.23 0.15 0.09 -0.55 8.37 8.29 2qb8A1 LEU 360 HA -0.30 0.11 0.52 -0.75 4.35 3.93 2qb8A1 LEU 360 HB2 0.09 -0.02 0.10 -0.04 1.64 1.77 2qb8A1 LEU 360 HB3 0.03 0.02 0.12 -0.04 1.64 1.77 2qb8A1 LEU 360 HG -0.19 -0.05 -0.13 -0.04 1.64 1.22 2qb8A1 LEU 360 HD13 -0.61 0.04 -0.06 -0.04 0.93 0.27 2qb8A1 LEU 360 HD23 -0.03 0.03 -0.04 -0.04 0.89 0.80 2qb8A1 PHE 361 H -0.31 0.60 0.51 -0.55 8.34 8.58 2qb8A1 PHE 361 HA -0.01 0.20 0.63 -0.75 4.62 4.68 2qb8A1 PHE 361 HB2 0.03 -0.02 0.18 -0.04 3.15 3.30 2qb8A1 PHE 361 HB3 0.03 0.06 0.01 -0.04 3.06 3.12 2qb8A1 PHE 361 HD2 0.05 -0.02 -0.13 -0.04 7.28 7.14 2qb8A1 PHE 361 HE2 0.08 0.02 -0.24 -0.04 7.38 7.19 2qb8A1 PHE 361 HZ -0.00 -0.08 -0.11 -0.04 7.32 7.09 2qb8A1 GLY 362 H -0.45 0.26 0.30 -0.55 8.43 7.99 2qb8A1 GLY 362 HA2 -0.12 0.13 0.71 -0.51 4.01 4.23 2qb8A1 GLY 362 HA3 -0.32 -0.01 0.23 -0.51 4.01 3.41 2qb8A1 GLY 363 H -0.09 0.14 0.17 -0.55 8.43 8.10 2qb8A1 GLY 363 HA2 -0.07 0.04 0.40 -0.51 4.01 3.87 2qb8A1 GLY 363 HA3 -0.12 0.16 0.60 -0.51 4.01 4.15 2qb8A1 ASN 364 H -0.06 0.62 0.29 -0.55 8.53 8.84 2qb8A1 ASN 364 HA -0.02 0.07 0.66 -0.75 4.76 4.71 2qb8A1 ASN 364 HB2 -0.02 0.22 -0.25 -0.04 2.88 2.79 2qb8A1 ASN 364 HB3 -0.01 -0.01 -0.05 -0.04 2.79 2.68 2qb8A1 ASN 364 HD21 0.01 0.05 -0.06 -0.04 7.03 6.99 2qb8A1 ASN 364 HD22 0.00 0.07 -0.07 -0.04 7.74 7.70 2qb8A1 LEU 365 H 0.06 0.23 0.11 -0.55 8.37 8.22 2qb8A1 LEU 365 HA 0.08 0.08 0.30 -0.75 4.35 4.06 2qb8A1 LEU 365 HB2 0.08 0.01 0.10 -0.04 1.64 1.79 2qb8A1 LEU 365 HB3 0.09 0.03 -0.02 -0.04 1.64 1.70 2qb8A1 LEU 365 HG 0.26 -0.06 -0.01 -0.04 1.64 1.79 2qb8A1 LEU 365 HD13 0.15 0.03 0.00 -0.04 0.93 1.07 2qb8A1 LEU 365 HD23 0.22 0.02 -0.21 -0.04 0.89 0.88 2qb8A1 ASP 366 H 0.03 0.08 -0.18 -0.55 8.40 7.79 2qb8A1 ASP 366 HA 0.03 0.12 0.49 -0.75 4.63 4.52 2qb8A1 ASP 366 HB2 0.02 -0.04 0.01 -0.04 2.71 2.66 2qb8A1 ASP 366 HB3 0.02 0.06 -0.01 -0.04 2.70 2.72 2qb8A1 GLY 367 H 0.02 0.27 -0.42 -0.55 8.43 7.74 2qb8A1 GLY 367 HA2 0.01 0.14 0.71 -0.51 4.01 4.37 2qb8A1 GLY 367 HA3 0.01 0.00 0.33 -0.51 4.01 3.84 2qb8A1 GLY 368 H 0.03 0.31 -0.26 -0.55 8.43 7.97 2qb8A1 GLY 368 HA2 0.04 -0.02 0.21 -0.51 4.01 3.74 2qb8A1 GLY 368 HA3 0.03 0.18 0.53 -0.51 4.01 4.25 2qb8A1 VAL 369 H 0.02 0.15 -0.40 -0.55 8.24 7.46 2qb8A1 VAL 369 HA 0.04 0.41 0.84 -0.75 4.13 4.67 2qb8A1 VAL 369 HB 0.00 -0.07 0.09 -0.04 2.12 2.10 2qb8A1 VAL 369 HG13 0.02 -0.02 -0.15 -0.04 0.97 0.78 2qb8A1 VAL 369 HG23 0.03 0.02 -0.08 -0.04 0.95 0.87 2qb8A1 ALA 370 H 0.05 0.65 0.25 -0.55 8.40 8.80 2qb8A1 ALA 370 HA -0.18 0.14 0.87 -0.75 4.34 4.42 2qb8A1 ALA 370 HB3 -0.04 -0.01 -0.23 -0.04 1.41 1.09 2qb8A1 MET 371 H -0.60 0.65 0.32 -0.55 8.47 8.30 2qb8A1 MET 371 HA -0.17 0.24 1.06 -0.75 4.52 4.90 2qb8A1 MET 371 HB2 -1.07 -0.09 0.06 -0.04 2.15 1.00 2qb8A1 MET 371 HB3 -0.75 0.01 -0.04 -0.04 2.03 1.20 2qb8A1 MET 371 HG2 -0.04 0.05 -0.18 -0.04 2.63 2.42 2qb8A1 MET 371 HG3 -0.18 -0.07 -0.42 -0.04 2.56 1.84 2qb8A1 MET 371 HE3 0.07 0.01 -0.15 -0.04 2.10 1.99 2qb8A1 PHE 372 H 0.19 0.57 0.33 -0.55 8.34 8.89 2qb8A1 PHE 372 HA 0.18 0.19 0.97 -0.75 4.62 5.20 2qb8A1 PHE 372 HB2 0.10 0.03 0.03 -0.04 3.15 3.27 2qb8A1 PHE 372 HB3 0.11 0.06 -0.15 -0.04 3.06 3.04 2qb8A1 PHE 372 HD2 0.05 0.10 -0.33 -0.04 7.28 7.06 2qb8A1 PHE 372 HE2 0.02 0.01 -0.19 -0.04 7.38 7.18 2qb8A1 PHE 372 HZ 0.02 -0.05 -0.14 -0.04 7.32 7.10 2qb8A1 LYS 373 H 0.47 0.59 0.32 -0.55 8.42 9.24 2qb8A1 LYS 373 HA 0.25 0.10 0.87 -0.75 4.32 4.79 2qb8A1 LYS 373 HB2 0.18 -0.01 0.23 -0.04 1.87 2.23 2qb8A1 LYS 373 HB3 0.12 0.06 0.06 -0.04 1.79 1.99 2qb8A1 LYS 373 HG2 -0.02 -0.04 0.07 -0.04 1.46 1.43 2qb8A1 LYS 373 HG3 0.17 -0.00 0.08 -0.04 1.46 1.67 2qb8A1 LYS 373 HD2 0.09 0.02 0.03 -0.04 1.69 1.79 2qb8A1 LYS 373 HD3 0.05 0.02 0.02 -0.04 1.68 1.73 2qb8A1 LYS 373 HE2 -0.13 -0.06 0.01 -0.04 2.99 2.77 2qb8A1 LYS 373 HE3 0.01 0.03 0.01 -0.04 2.99 2.99 2qb8A1 GLN 374 H 0.13 0.65 0.19 -0.55 8.47 8.89 2qb8A1 GLN 374 HA 0.09 0.19 0.72 -0.75 4.36 4.61 2qb8A1 GLN 374 HB2 0.12 -0.11 -0.23 -0.04 2.15 1.89 2qb8A1 GLN 374 HB3 0.07 -0.05 -0.10 -0.04 2.02 1.90 2qb8A1 GLN 374 HG2 0.03 0.05 -0.16 -0.04 2.40 2.29 2qb8A1 GLN 374 HG3 0.05 0.02 -0.03 -0.04 2.39 2.39 2qb8A1 GLN 374 HE21 0.04 0.17 0.03 -0.04 6.97 7.16 2qb8A1 GLN 374 HE22 0.03 0.37 0.09 -0.04 7.69 8.13 2qb8A1 LEU 375 H 0.04 0.70 0.16 -0.55 8.37 8.72 2qb8A1 LEU 375 HA -0.03 0.04 0.49 -0.75 4.35 4.09 2qb8A1 LEU 375 HB2 0.01 0.16 0.17 -0.04 1.64 1.94 2qb8A1 LEU 375 HB3 -0.01 -0.06 0.11 -0.04 1.64 1.63 2qb8A1 LEU 375 HG 0.04 0.05 -0.01 -0.04 1.64 1.68 2qb8A1 LEU 375 HD13 0.02 -0.01 0.01 -0.04 0.93 0.91 2qb8A1 LEU 375 HD23 -0.00 -0.02 -0.01 -0.04 0.89 0.82 2qb8A1 ASN 376 H 0.00 0.46 -0.21 -0.55 8.53 8.25 2qb8A1 ASN 376 HA -0.02 0.06 0.76 -0.75 4.76 4.81 2qb8A1 ASN 376 HB2 0.00 0.13 0.01 -0.04 2.88 2.98 2qb8A1 ASN 376 HB3 0.02 0.03 0.17 -0.04 2.79 2.98 2qb8A1 ASN 376 HD21 0.08 -0.10 -0.03 -0.04 7.03 6.94 2qb8A1 ASN 376 HD22 0.04 0.42 0.06 -0.04 7.74 8.22 2qb8A1 VAL 377 H -0.05 0.31 0.00 -0.55 8.24 7.95 2qb8A1 VAL 377 HA -0.06 0.19 0.29 -0.75 4.13 3.80 2qb8A1 VAL 377 HB -0.12 -0.05 -0.00 -0.04 2.12 1.91 2qb8A1 VAL 377 HG13 -0.19 0.08 -0.13 -0.04 0.97 0.69 2qb8A1 VAL 377 HG23 -0.10 0.01 -0.00 -0.04 0.95 0.82 2qb8A1 GLU 378 H -0.02 0.04 -0.39 -0.55 8.60 7.69 2qb8A1 GLU 378 HA -0.02 0.14 0.61 -0.75 4.29 4.26 2qb8A1 GLU 378 HB2 0.00 0.01 -0.01 -0.04 2.09 2.05 2qb8A1 GLU 378 HB3 -0.00 -0.02 -0.00 -0.04 1.99 1.92 2qb8A1 GLU 378 HG2 -0.02 -0.03 -0.02 -0.04 2.34 2.23 2qb8A1 GLU 378 HG3 -0.01 0.01 -0.00 -0.04 2.34 2.30 2qb8A1 ALA 379 H 0.01 0.29 -0.27 -0.55 8.40 7.89 2qb8A1 ALA 379 HA -0.01 -0.03 0.47 -0.75 4.34 4.02 2qb8A1 ALA 379 HB3 0.08 0.03 0.02 -0.04 1.41 1.49 2qb8A1 THR 380 H -0.04 0.06 0.21 -0.55 8.28 7.96 2qb8A1 THR 380 HA 0.01 0.30 0.69 -0.75 4.39 4.63 2qb8A1 THR 380 HB 0.01 -0.04 0.20 -0.04 4.32 4.45 2qb8A1 THR 380 HG23 -0.00 0.10 -0.03 -0.04 1.22 1.25 2qb8A1 ARG 381 H 0.02 0.25 0.13 -0.55 8.46 8.31 2qb8A1 ARG 381 HA -0.00 0.10 0.43 -0.75 4.34 4.11 2qb8A1 ARG 381 HB2 0.05 0.10 0.09 -0.04 1.90 2.11 2qb8A1 ARG 381 HB3 0.05 -0.02 0.06 -0.04 1.80 1.85 2qb8A1 ARG 381 HG2 0.08 -0.03 -0.18 -0.04 1.67 1.50 2qb8A1 ARG 381 HG3 0.05 -0.00 0.01 -0.04 1.67 1.69 2qb8A1 ARG 381 HD2 0.14 0.02 -0.02 -0.04 3.22 3.31 2qb8A1 ARG 381 HD3 0.08 0.06 -0.11 -0.04 3.22 3.22 2qb8A1 LYS 382 H -0.01 0.08 -0.23 -0.55 8.42 7.70 2qb8A1 LYS 382 HA -0.01 0.09 0.42 -0.75 4.32 4.06 2qb8A1 LYS 382 HB2 0.03 0.00 0.10 -0.04 1.87 1.96 2qb8A1 LYS 382 HB3 -0.03 -0.01 0.05 -0.04 1.79 1.76 2qb8A1 LYS 382 HG2 -0.04 0.05 -0.15 -0.04 1.46 1.28 2qb8A1 LYS 382 HG3 0.04 -0.05 0.09 -0.04 1.46 1.49 2qb8A1 LYS 382 HD2 -0.07 -0.01 0.04 -0.04 1.69 1.61 2qb8A1 LYS 382 HD3 -0.06 0.04 0.01 -0.04 1.68 1.63 2qb8A1 LYS 382 HE2 0.01 0.00 -0.01 -0.04 2.99 2.95 2qb8A1 LYS 382 HE3 -0.01 -0.20 0.10 -0.04 2.99 2.85 2qb8A1 GLN 383 H -0.14 0.14 -0.27 -0.55 8.47 7.65 2qb8A1 GLN 383 HA -0.41 0.17 0.81 -0.75 4.36 4.17 2qb8A1 GLN 383 HB2 -0.22 -0.00 0.10 -0.04 2.15 1.98 2qb8A1 GLN 383 HB3 -0.72 0.03 -0.04 -0.04 2.02 1.25 2qb8A1 GLN 383 HG2 -0.07 0.05 -0.03 -0.04 2.40 2.31 2qb8A1 GLN 383 HG3 -0.18 0.04 -0.02 -0.04 2.39 2.19 2qb8A1 GLN 383 HE21 -0.05 0.00 -0.04 -0.04 6.97 6.84 2qb8A1 GLN 383 HE22 -0.06 0.05 -0.11 -0.04 7.69 7.53 2qb8A1 VAL 384 H -0.18 0.49 -0.03 -0.55 8.24 7.97 2qb8A1 VAL 384 HA -0.14 0.03 0.26 -0.75 4.13 3.53 2qb8A1 VAL 384 HB -0.04 -0.02 0.04 -0.04 2.12 2.07 2qb8A1 VAL 384 HG13 0.03 -0.01 -0.16 -0.04 0.97 0.79 2qb8A1 VAL 384 HG23 0.01 0.05 -0.17 -0.04 0.95 0.80 2qb8A1 VAL 385 H -0.19 0.41 -0.32 -0.55 8.24 7.59 2qb8A1 VAL 385 HA -0.10 0.03 0.32 -0.75 4.13 3.63 2qb8A1 VAL 385 HB -0.27 0.10 0.05 -0.04 2.12 1.96 2qb8A1 VAL 385 HG13 -0.69 -0.01 -0.17 -0.04 0.97 0.06 2qb8A1 VAL 385 HG23 -0.18 0.01 -0.03 -0.04 0.95 0.71 2qb8A1 PRO 386 HA -0.34 0.03 0.51 -0.51 4.44 4.13 2qb8A1 PRO 386 HB2 -0.26 0.08 0.01 -0.04 2.28 2.06 2qb8A1 PRO 386 HB3 -0.32 0.01 0.07 -0.04 2.02 1.74 2qb8A1 PRO 386 HG2 -0.32 0.08 0.16 -0.04 2.03 1.91 2qb8A1 PRO 386 HG3 -0.39 -0.03 0.07 -0.04 2.03 1.64 2qb8A1 PRO 386 HD2 -0.35 0.02 -0.41 -0.04 3.68 2.91 2qb8A1 PRO 386 HD3 -0.28 0.07 0.03 -0.04 3.65 3.43 2qb8A1 TYR 387 H -0.26 0.50 -0.29 -0.55 8.29 7.68 2qb8A1 TYR 387 HA -0.10 0.03 0.40 -0.75 4.56 4.14 2qb8A1 TYR 387 HB2 -0.06 0.09 0.08 -0.04 3.06 3.13 2qb8A1 TYR 387 HB3 -0.06 -0.03 0.01 -0.04 2.98 2.86 2qb8A1 TYR 387 HD2 -0.07 -0.04 -0.11 -0.04 7.15 6.89 2qb8A1 TYR 387 HE2 -0.05 -0.02 -0.09 -0.04 6.85 6.65 2qb8A1 LEU 388 H -0.01 0.56 -0.16 -0.55 8.37 8.22 2qb8A1 LEU 388 HA 0.07 0.03 0.43 -0.75 4.35 4.13 2qb8A1 LEU 388 HB2 0.14 0.11 0.09 -0.04 1.64 1.94 2qb8A1 LEU 388 HB3 0.28 -0.07 -0.05 -0.04 1.64 1.76 2qb8A1 LEU 388 HG 0.07 0.13 0.01 -0.04 1.64 1.81 2qb8A1 LEU 388 HD13 0.09 -0.03 -0.14 -0.04 0.93 0.82 2qb8A1 LEU 388 HD23 0.07 -0.02 -0.12 -0.04 0.89 0.78 2qb8A1 GLU 389 H -0.38 0.56 -0.12 -0.55 8.60 8.11 2qb8A1 GLU 389 HA -0.77 0.00 0.50 -0.75 4.29 3.27 2qb8A1 GLU 389 HB2 -0.44 0.07 0.18 -0.04 2.09 1.86 2qb8A1 GLU 389 HB3 -0.42 0.00 -0.02 -0.04 1.99 1.50 2qb8A1 GLU 389 HG2 -2.08 -0.07 0.01 -0.04 2.34 0.17 2qb8A1 GLU 389 HG3 -1.33 0.15 -0.03 -0.04 2.34 1.09 2qb8A1 GLU 390 H -0.13 0.59 -0.15 -0.55 8.60 8.36 2qb8A1 GLU 390 HA -0.07 0.03 0.42 -0.75 4.29 3.91 2qb8A1 GLU 390 HB2 -0.06 0.04 0.12 -0.04 2.09 2.15 2qb8A1 GLU 390 HB3 -0.02 0.12 0.13 -0.04 1.99 2.17 2qb8A1 GLU 390 HG2 -0.04 -0.00 -0.09 -0.04 2.34 2.17 2qb8A1 GLU 390 HG3 -0.04 -0.03 0.02 -0.04 2.34 2.24 2qb8A1 ALA 391 H -0.00 0.48 -0.14 -0.55 8.40 8.19 2qb8A1 ALA 391 HA -0.00 0.03 0.37 -0.75 4.34 3.99 2qb8A1 ALA 391 HB3 0.04 0.02 0.07 -0.04 1.41 1.49 2qb8A1 TYR 392 H 0.14 0.54 -0.27 -0.55 8.29 8.15 2qb8A1 TYR 392 HA 0.04 -0.04 0.29 -0.75 4.56 4.09 2qb8A1 TYR 392 HB2 0.18 0.01 0.07 -0.04 3.06 3.28 2qb8A1 TYR 392 HB3 0.07 0.12 0.07 -0.04 2.98 3.20 2qb8A1 TYR 392 HD2 0.10 0.06 -0.25 -0.04 7.15 7.02 2qb8A1 TYR 392 HE2 0.07 -0.02 -0.19 -0.04 6.85 6.67 2qb8A1 SER 393 H 0.01 0.43 -0.29 -0.55 8.46 8.06 2qb8A1 SER 393 HA -0.12 -0.00 0.52 -0.75 4.49 4.13 2qb8A1 SER 393 HB2 -0.04 0.13 0.13 -0.04 3.95 4.13 2qb8A1 SER 393 HB3 -0.05 -0.08 0.03 -0.04 3.93 3.79 2qb8A1 ASN 394 H -0.06 0.41 -0.44 -0.55 8.53 7.89 2qb8A1 ASN 394 HA -0.06 0.10 0.67 -0.75 4.76 4.72 2qb8A1 ASN 394 HB2 -0.03 0.16 0.10 -0.04 2.88 3.06 2qb8A1 ASN 394 HB3 -0.03 -0.11 0.11 -0.04 2.79 2.72 2qb8A1 ASN 394 HD21 -0.03 -0.07 -0.05 -0.04 7.03 6.83 2qb8A1 ASN 394 HD22 -0.03 -0.04 -0.02 -0.04 7.74 7.62 2qb8A1 LEU 395 H -0.17 0.35 -0.30 -0.55 8.37 7.70 2qb8A1 LEU 395 HA -0.06 -0.00 0.57 -0.75 4.35 4.11 2qb8A1 LEU 395 HB2 -0.32 0.22 0.14 -0.04 1.64 1.65 2qb8A1 LEU 395 HB3 -0.12 -0.00 -0.07 -0.04 1.64 1.41 2qb8A1 LEU 395 HG 0.00 -0.06 0.00 -0.04 1.64 1.54 2qb8A1 LEU 395 HD13 0.00 0.07 -0.18 -0.04 0.93 0.78 2qb8A1 LEU 395 HD23 0.15 -0.03 -0.03 -0.04 0.89 0.94 2qb8A1 GLU 396 H -0.04 0.06 0.16 -0.55 8.60 8.23 2qb8A1 GLU 396 HA -0.04 0.13 0.45 -0.75 4.29 4.07 2qb8A1 GLU 396 HB2 -0.02 0.04 0.12 -0.04 2.09 2.19 2qb8A1 GLU 396 HB3 -0.01 -0.05 0.06 -0.04 1.99 1.95 2qb8A1 GLU 396 HG2 -0.01 -0.04 -0.04 -0.04 2.34 2.21 2qb8A1 GLU 396 HG3 -0.02 0.05 0.04 -0.04 2.34 2.38 2qb8A1 GLU 397 H -0.02 0.31 0.05 -0.55 8.60 8.40 2qb8A1 GLU 397 HA 0.00 0.12 0.25 -0.75 4.29 3.91 2qb8A1 GLU 397 HB2 -0.05 0.05 -0.34 -0.04 2.09 1.71 2qb8A1 GLU 397 HB3 0.01 -0.02 -0.07 -0.04 1.99 1.87 2qb8A1 GLU 397 HG2 0.02 0.14 0.08 -0.04 2.34 2.54 2qb8A1 GLU 397 HG3 0.04 -0.01 0.01 -0.04 2.34 2.34