============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. PHE 12 1.000 -39.163 -7.890 45.576 -99.200 -91.000 TYR 17 0.840 -39.294 3.266 40.478 -99.200 -91.000 HIS 19 0.900 -45.142 4.514 49.865 -99.200 -91.000 TRP 26 1.040 -45.153 15.720 45.425 -99.200 -91.000 TRP6 26 1.020 -46.529 14.588 43.884 -99.200 -91.000 TYR 30 0.840 -47.865 8.885 50.097 -99.200 -91.000 TYR 31 0.840 -39.739 9.513 53.495 -99.200 -91.000 HIS 34 0.900 -47.844 6.455 53.526 -99.200 -91.000 TYR 37 0.840 -36.903 12.764 56.364 -99.200 -91.000 PHE 69 1.000 -15.269 -0.573 45.003 -99.200 -91.000 TRP 75 1.040 -20.683 4.952 51.687 -99.200 -91.000 TRP6 75 1.020 -22.760 4.572 52.754 -99.200 -91.000 PHE 77 1.000 -11.459 1.965 49.468 -99.200 -91.000 HIS 86 0.900 -14.421 13.944 55.897 -99.200 -91.000 TYR 87 0.840 -17.802 19.582 50.263 -99.200 -91.000 PHE 100 1.000 -37.089 3.938 31.465 -99.200 -91.000 TYR 104 0.840 -40.767 7.963 36.073 -99.200 -91.000 HIS 111 0.900 -39.331 15.039 51.870 -99.200 -91.000 TYR 122 0.840 -24.208 9.245 62.155 -99.200 -91.000 TYR 130 0.840 -22.482 20.880 47.011 -99.200 -91.000 TYR 132 0.840 -23.887 17.746 37.456 -99.200 -91.000 TYR 137 0.840 -34.205 12.772 34.392 -99.200 -91.000 TYR 156 0.840 -38.339 15.583 59.682 -99.200 -91.000 PHE 162 1.000 -33.602 13.082 63.010 -99.200 -91.000 PHE 166 1.000 -24.503 14.175 60.313 -99.200 -91.000 PHE 168 1.000 -26.536 15.437 54.650 -99.200 -91.000 HIS 171 0.900 -26.240 23.710 49.867 -99.200 -91.000 HIS 173 0.900 -24.070 22.713 39.712 -99.200 -91.000 TYR 179 0.840 -22.997 8.605 28.894 -99.200 -91.000 PHE 204 1.000 -7.828 5.866 43.506 -99.200 -91.000 TRP 211 1.040 -15.075 23.661 45.359 -99.200 -91.000 TRP6 211 1.020 -17.348 23.173 45.802 -99.200 -91.000 TRP 236 1.040 -35.950 -7.216 54.034 -99.200 -91.000 TRP6 236 1.020 -35.492 -5.484 52.497 -99.200 -91.000 PHE 237 1.000 -29.481 -4.855 49.829 -99.200 -91.000 TYR 251 0.840 -33.218 -6.191 37.350 -99.200 -91.000 TYR 263 0.840 -42.487 -3.434 34.585 -99.200 -91.000 PHE 271 1.000 -31.140 -10.631 30.914 -99.200 -91.000 TYR 276 0.840 -41.601 -13.642 26.460 -99.200 -91.000 TRP 278 1.040 -42.388 -8.672 36.381 -99.200 -91.000 TRP6 278 1.020 -44.095 -8.501 38.005 -99.200 -91.000 PHE 301 1.000 -36.065 -12.501 22.331 -99.200 -91.000 TYR 312 0.840 -24.340 -5.646 39.893 -99.200 -91.000 HIS 314 0.900 -25.882 -16.046 37.597 -99.200 -91.000 TRP 341 1.040 -25.415 4.778 10.465 -99.200 -91.000 TRP6 341 1.020 -24.066 6.651 10.943 -99.200 -91.000 PHE 346 1.000 -25.237 8.362 24.010 -99.200 -91.000 TYR 347 0.840 -21.510 5.202 23.834 -99.200 -91.000 HIS 349 0.900 -24.147 15.428 20.921 -99.200 -91.000 PHE 365 1.000 -10.315 5.071 10.612 -99.200 -91.000 PHE 370 1.000 -20.774 1.143 13.515 -99.200 -91.000 PHE 398 1.000 -7.572 11.272 32.025 -99.200 -91.000 TRP 407 1.040 -16.019 -2.973 26.693 -99.200 -91.000 TRP6 407 1.020 -16.199 -1.946 28.824 -99.200 -91.000 HIS 415 0.900 -22.971 -12.745 20.411 -99.200 -91.000 PHE 416 1.000 -26.637 -9.873 16.383 -99.200 -91.000 TYR 420 0.840 -21.564 -4.669 11.794 -99.200 -91.000 TRP 436 1.040 -43.771 8.467 13.175 -99.200 -91.000 TRP6 436 1.020 -44.157 10.512 14.278 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3i9v11 THR 2 HA 0.00 -0.04 0.16 -0.75 4.39 3.76 3i9v11 THR 2 HB -0.00 -0.14 0.12 -0.04 4.32 4.25 3i9v11 THR 2 HG23 -0.01 0.01 -0.01 -0.04 1.22 1.17 3i9v11 GLY 3 H -0.01 0.04 0.07 -0.55 8.43 7.98 3i9v11 GLY 3 HA2 -0.00 0.20 0.91 -0.51 4.01 4.61 3i9v11 GLY 3 HA3 -0.00 -0.06 0.21 -0.51 4.01 3.65 3i9v11 PRO 4 HA -0.01 0.26 0.93 -0.51 4.44 5.11 3i9v11 PRO 4 HB2 -0.02 0.03 0.11 -0.04 2.28 2.36 3i9v11 PRO 4 HB3 -0.01 0.05 0.01 -0.04 2.02 2.02 3i9v11 PRO 4 HG2 -0.02 0.02 0.11 -0.04 2.03 2.10 3i9v11 PRO 4 HG3 -0.01 0.04 -0.02 -0.04 2.03 2.00 3i9v11 PRO 4 HD2 -0.02 0.13 0.20 -0.04 3.68 3.96 3i9v11 PRO 4 HD3 -0.01 0.08 0.17 -0.04 3.65 3.85 3i9v11 ILE 5 H -0.03 0.09 0.16 -0.55 8.25 7.92 3i9v11 ILE 5 HA -0.05 0.34 0.89 -0.75 4.18 4.61 3i9v11 ILE 5 HB -0.05 -0.09 -0.03 -0.04 1.89 1.68 3i9v11 ILE 5 HG12 -0.04 0.15 -0.17 -0.04 1.49 1.38 3i9v11 ILE 5 HG13 -0.03 -0.22 -0.42 -0.04 1.21 0.50 3i9v11 ILE 5 HG23 -0.08 0.04 -0.10 -0.04 0.93 0.76 3i9v11 ILE 5 HD13 -0.03 -0.00 -0.07 -0.04 0.88 0.73 3i9v11 LEU 6 H -0.09 0.37 0.13 -0.55 8.37 8.23 3i9v11 LEU 6 HA -0.06 0.03 0.79 -0.75 4.35 4.35 3i9v11 LEU 6 HB2 -0.14 0.16 0.48 -0.04 1.64 2.10 3i9v11 LEU 6 HB3 -0.10 -0.13 0.08 -0.04 1.64 1.45 3i9v11 LEU 6 HG -0.06 0.04 -0.04 -0.04 1.64 1.55 3i9v11 LEU 6 HD13 -0.07 0.09 -0.03 -0.04 0.93 0.88 3i9v11 LEU 6 HD23 0.02 -0.03 -0.11 -0.04 0.89 0.72 3i9v11 SER 7 H -0.08 0.13 0.12 -0.55 8.46 8.08 3i9v11 SER 7 HA -0.15 0.24 0.74 -0.75 4.49 4.57 3i9v11 SER 7 HB2 -0.08 -0.02 0.03 -0.04 3.95 3.84 3i9v11 SER 7 HB3 -0.11 -0.03 -0.01 -0.04 3.93 3.74 3i9v11 GLY 8 H -0.14 0.18 0.09 -0.55 8.43 8.01 3i9v11 GLY 8 HA2 -0.07 0.09 0.27 -0.51 4.01 3.79 3i9v11 GLY 8 HA3 -0.05 0.06 0.62 -0.51 4.01 4.14 3i9v11 LEU 9 H 0.01 0.17 0.12 -0.55 8.37 8.13 3i9v11 LEU 9 HA 0.25 0.18 0.64 -0.75 4.35 4.67 3i9v11 LEU 9 HB2 -0.01 -0.01 0.12 -0.04 1.64 1.71 3i9v11 LEU 9 HB3 -0.03 -0.05 0.13 -0.04 1.64 1.64 3i9v11 LEU 9 HG 0.00 0.02 0.15 -0.04 1.64 1.77 3i9v11 LEU 9 HD13 0.01 0.03 0.06 -0.04 0.93 0.98 3i9v11 LEU 9 HD23 -0.20 -0.01 0.03 -0.04 0.89 0.67 3i9v11 ASP 10 H 0.02 -0.08 -1.06 -0.55 8.40 6.74 3i9v11 ASP 10 HA 0.03 0.08 0.31 -0.75 4.63 4.30 3i9v11 ASP 10 HB2 0.01 -0.07 0.03 -0.04 2.71 2.65 3i9v11 ASP 10 HB3 0.09 -0.15 -0.08 -0.04 2.70 2.53 3i9v11 PRO 11 HA 0.10 0.23 0.76 -0.51 4.44 5.02 3i9v11 PRO 11 HB2 0.05 0.03 0.10 -0.04 2.28 2.42 3i9v11 PRO 11 HB3 0.05 0.03 0.09 -0.04 2.02 2.14 3i9v11 PRO 11 HG2 0.04 0.10 -0.07 -0.04 2.03 2.06 3i9v11 PRO 11 HG3 0.03 0.03 0.05 -0.04 2.03 2.09 3i9v11 PRO 11 HD2 0.04 0.06 0.20 -0.04 3.68 3.94 3i9v11 PRO 11 HD3 0.03 0.11 0.18 -0.04 3.65 3.93 3i9v11 ARG 12 H 0.09 0.00 -0.09 -0.55 8.46 7.91 3i9v11 ARG 12 HA 0.07 0.24 0.80 -0.75 4.34 4.70 3i9v11 ARG 12 HB2 0.06 0.03 0.06 -0.04 1.90 2.01 3i9v11 ARG 12 HB3 0.05 0.05 0.00 -0.04 1.80 1.86 3i9v11 ARG 12 HG2 0.04 -0.05 0.01 -0.04 1.67 1.63 3i9v11 ARG 12 HG3 0.05 -0.09 -0.04 -0.04 1.67 1.54 3i9v11 ARG 12 HD2 0.02 0.02 -0.10 -0.04 3.22 3.12 3i9v11 ARG 12 HD3 0.02 0.16 -0.08 -0.04 3.22 3.28 3i9v11 PHE 13 H 0.22 0.02 -0.37 -0.55 8.34 7.67 3i9v11 PHE 13 HA -0.01 0.12 0.56 -0.75 4.62 4.54 3i9v11 PHE 13 HB2 -0.01 -0.09 0.00 -0.04 3.15 3.01 3i9v11 PHE 13 HB3 0.04 0.11 -0.04 -0.04 3.06 3.12 3i9v11 PHE 13 HD2 -0.02 0.05 -0.07 -0.04 7.28 7.19 3i9v11 PHE 13 HE2 -0.05 0.06 -0.13 -0.04 7.38 7.21 3i9v11 PHE 13 HZ -0.01 -0.12 -0.38 -0.04 7.32 6.76 3i9v11 GLU 14 H -0.34 0.17 0.07 -0.55 8.60 7.95 3i9v11 GLU 14 HA -0.26 0.18 0.89 -0.75 4.29 4.35 3i9v11 GLU 14 HB2 0.33 -0.03 0.04 -0.04 2.09 2.39 3i9v11 GLU 14 HB3 0.03 0.05 -0.11 -0.04 1.99 1.92 3i9v11 GLU 14 HG2 0.04 0.04 -0.16 -0.04 2.34 2.21 3i9v11 GLU 14 HG3 0.13 0.08 -0.33 -0.04 2.34 2.18 3i9v11 ARG 15 H -0.28 0.20 0.05 -0.55 8.46 7.87 3i9v11 ARG 15 HA -0.20 -0.02 0.50 -0.75 4.34 3.87 3i9v11 ARG 15 HB2 -0.06 0.05 0.00 -0.04 1.90 1.84 3i9v11 ARG 15 HB3 -0.02 -0.09 -0.08 -0.04 1.80 1.57 3i9v11 ARG 15 HG2 -0.16 -0.00 0.05 -0.04 1.67 1.52 3i9v11 ARG 15 HG3 -0.02 0.06 0.00 -0.04 1.67 1.68 3i9v11 ARG 15 HD2 0.04 -0.02 -0.01 -0.04 3.22 3.19 3i9v11 ARG 15 HD3 0.09 -0.04 -0.08 -0.04 3.22 3.14 3i9v11 THR 16 H 0.07 -0.09 0.12 -0.55 8.28 7.83 3i9v11 THR 16 HA -0.00 0.32 0.93 -0.75 4.39 4.88 3i9v11 THR 16 HB 0.21 -0.13 0.06 -0.04 4.32 4.42 3i9v11 THR 16 HG23 0.04 0.01 -0.07 -0.04 1.22 1.16 3i9v11 LEU 17 H 0.14 0.02 0.10 -0.55 8.37 8.08 3i9v11 LEU 17 HA 0.12 0.22 0.58 -0.75 4.35 4.52 3i9v11 LEU 17 HB2 0.19 -0.10 0.15 -0.04 1.64 1.84 3i9v11 LEU 17 HB3 0.21 0.00 0.01 -0.04 1.64 1.82 3i9v11 LEU 17 HG 0.17 -0.01 -0.01 -0.04 1.64 1.76 3i9v11 LEU 17 HD13 0.14 0.00 -0.07 -0.04 0.93 0.96 3i9v11 LEU 17 HD23 0.14 0.01 -0.27 -0.04 0.89 0.73 3i9v11 TYR 18 H 0.30 0.10 0.02 -0.55 8.29 8.15 3i9v11 TYR 18 HA 0.02 0.05 0.29 -0.75 4.56 4.18 3i9v11 TYR 18 HB2 -0.00 -0.05 0.07 -0.04 3.06 3.04 3i9v11 TYR 18 HB3 -0.03 0.14 0.11 -0.04 2.98 3.16 3i9v11 TYR 18 HD2 -0.02 0.02 -0.06 -0.04 7.15 7.05 3i9v11 TYR 18 HE2 -0.01 0.05 -0.02 -0.04 6.85 6.83 3i9v11 ALA 19 H 0.00 0.33 -1.38 -0.55 8.40 6.80 3i9v11 ALA 19 HA -0.06 0.03 0.08 -0.75 4.34 3.64 3i9v11 ALA 19 HB3 -0.31 0.02 -0.14 -0.04 1.41 0.95 3i9v11 HIS 20 H -0.12 0.13 -0.11 -0.55 8.41 7.77 3i9v11 HIS 20 HA 0.03 0.26 0.78 -0.75 4.63 4.94 3i9v11 HIS 20 HB2 0.01 0.02 0.01 -0.04 3.26 3.26 3i9v11 HIS 20 HB3 -0.03 -0.03 0.12 -0.04 3.20 3.21 3i9v11 HIS 20 HD2 0.10 0.03 -0.12 -0.04 6.97 6.94 3i9v11 HIS 20 HE1 0.01 0.10 -0.01 -0.04 7.75 7.80 3i9v11 VAL 21 H -0.03 0.10 -0.46 -0.55 8.24 7.29 3i9v11 VAL 21 HA -0.05 0.00 0.42 -0.75 4.13 3.75 3i9v11 VAL 21 HB -0.23 0.15 0.03 -0.04 2.12 2.03 3i9v11 VAL 21 HG13 -0.24 -0.02 -0.18 -0.04 0.97 0.49 3i9v11 VAL 21 HG23 -0.50 -0.02 -0.13 -0.04 0.95 0.26 3i9v11 GLY 22 H 0.00 0.06 0.12 -0.55 8.43 8.07 3i9v11 GLY 22 HA2 0.01 -0.06 0.32 -0.51 4.01 3.77 3i9v11 GLY 22 HA3 -0.01 0.18 0.56 -0.51 4.01 4.23 3i9v11 LYS 23 H 0.00 0.50 -0.63 -0.55 8.42 7.73 3i9v11 LYS 23 HA 0.01 0.04 0.62 -0.75 4.32 4.24 3i9v11 LYS 23 HB2 -0.12 0.05 0.13 -0.04 1.87 1.89 3i9v11 LYS 23 HB3 0.03 -0.03 0.00 -0.04 1.79 1.75 3i9v11 LYS 23 HG2 0.08 0.10 -0.13 -0.04 1.46 1.47 3i9v11 LYS 23 HG3 0.23 -0.05 0.05 -0.04 1.46 1.65 3i9v11 LYS 23 HD2 0.12 -0.05 -0.00 -0.04 1.69 1.72 3i9v11 LYS 23 HD3 0.06 -0.04 -0.07 -0.04 1.68 1.59 3i9v11 LYS 23 HE2 0.08 0.18 0.00 -0.04 2.99 3.21 3i9v11 LYS 23 HE3 0.12 -0.01 0.00 -0.04 2.99 3.06 3i9v11 GLU 24 H -0.02 0.16 0.16 -0.55 8.60 8.35 3i9v11 GLU 24 HA -0.03 -0.05 0.35 -0.75 4.29 3.81 3i9v11 GLU 24 HB2 -0.00 0.06 0.18 -0.04 2.09 2.28 3i9v11 GLU 24 HB3 -0.04 0.02 0.14 -0.04 1.99 2.06 3i9v11 GLU 24 HG2 -0.06 -0.01 -0.12 -0.04 2.34 2.10 3i9v11 GLU 24 HG3 0.01 -0.02 0.05 -0.04 2.34 2.34 3i9v11 GLY 25 H -0.45 0.11 0.22 -0.55 8.43 7.76 3i9v11 GLY 25 HA2 -1.83 -0.03 0.38 -0.51 4.01 2.02 3i9v11 GLY 25 HA3 -0.62 0.10 0.45 -0.51 4.01 3.43 3i9v11 SER 26 H -0.62 0.35 -0.03 -0.55 8.46 7.61 3i9v11 SER 26 HA -1.67 0.03 0.27 -0.75 4.49 2.37 3i9v11 SER 26 HB2 -0.15 0.13 0.11 -0.04 3.95 3.99 3i9v11 SER 26 HB3 -0.42 0.15 0.14 -0.04 3.93 3.76 3i9v11 TRP 27 H -1.12 -0.02 -0.57 -0.55 7.97 5.72 3i9v11 TRP 27 HA 0.05 0.17 0.62 -0.75 4.62 4.70 3i9v11 TRP 27 HB2 -0.00 -0.03 0.08 -0.04 3.23 3.23 3i9v11 TRP 27 HB3 -0.04 0.07 -0.09 -0.04 3.23 3.14 3i9v11 TRP 27 HD1 0.03 -0.05 -0.27 -0.04 7.22 6.89 3i9v11 TRP 27 HE1 0.01 -0.00 -0.04 -0.04 10.20 10.12 3i9v11 TRP 27 HE3 -0.09 0.07 0.05 -0.04 7.59 7.59 3i9v11 TRP 27 HZ2 -0.01 0.03 0.02 -0.04 7.44 7.44 3i9v11 TRP 27 HZ3 -0.07 0.04 0.04 -0.04 7.13 7.11 3i9v11 TRP 27 HH2 -0.03 0.02 0.05 -0.04 7.19 7.20 3i9v11 THR 28 H -0.42 0.38 0.00 -0.55 8.28 7.69 3i9v11 THR 28 HA 0.10 0.14 0.69 -0.75 4.39 4.56 3i9v11 THR 28 HB -0.02 -0.43 0.16 -0.04 4.32 3.99 3i9v11 THR 28 HG23 0.01 0.01 0.11 -0.04 1.22 1.31 3i9v11 LEU 29 H 0.14 0.23 0.16 -0.55 8.37 8.35 3i9v11 LEU 29 HA -0.34 0.08 0.40 -0.75 4.35 3.74 3i9v11 LEU 29 HB2 0.06 0.00 0.11 -0.04 1.64 1.78 3i9v11 LEU 29 HB3 0.02 0.04 -0.04 -0.04 1.64 1.63 3i9v11 LEU 29 HG -0.31 -0.00 -0.07 -0.04 1.64 1.22 3i9v11 LEU 29 HD13 0.10 0.04 -0.09 -0.04 0.93 0.94 3i9v11 LEU 29 HD23 -0.24 -0.00 0.06 -0.04 0.89 0.66 3i9v11 ASP 30 H 0.04 -0.07 -0.58 -0.55 8.40 7.24 3i9v11 ASP 30 HA 0.02 0.16 0.55 -0.75 4.63 4.61 3i9v11 ASP 30 HB2 0.01 -0.06 0.07 -0.04 2.71 2.69 3i9v11 ASP 30 HB3 0.01 0.08 -0.04 -0.04 2.70 2.71 3i9v11 TYR 31 H 0.09 0.03 -0.06 -0.55 8.29 7.81 3i9v11 TYR 31 HA -0.03 0.08 0.45 -0.75 4.56 4.30 3i9v11 TYR 31 HB2 -0.20 0.01 0.15 -0.04 3.06 2.97 3i9v11 TYR 31 HB3 -0.13 0.10 0.03 -0.04 2.98 2.94 3i9v11 TYR 31 HD2 -0.27 0.00 -0.16 -0.04 7.15 6.69 3i9v11 TYR 31 HE2 -0.73 0.00 -0.07 -0.04 6.85 6.00 3i9v11 TYR 32 H 0.24 0.43 -0.19 -0.55 8.29 8.23 3i9v11 TYR 32 HA 0.04 0.11 0.15 -0.75 4.56 4.10 3i9v11 TYR 32 HB2 0.08 0.03 0.00 -0.04 3.06 3.13 3i9v11 TYR 32 HB3 -0.11 0.00 -0.06 -0.04 2.98 2.78 3i9v11 TYR 32 HD2 -0.06 0.01 -0.14 -0.04 7.15 6.92 3i9v11 TYR 32 HE2 -0.46 -0.01 -0.21 -0.04 6.85 6.13 3i9v11 LEU 33 H 0.05 0.26 -0.60 -0.55 8.37 7.53 3i9v11 LEU 33 HA -0.05 -0.19 0.57 -0.75 4.35 3.93 3i9v11 LEU 33 HB2 0.01 0.12 0.22 -0.04 1.64 1.95 3i9v11 LEU 33 HB3 0.02 -0.03 0.02 -0.04 1.64 1.60 3i9v11 LEU 33 HG 0.01 0.39 0.15 -0.04 1.64 2.15 3i9v11 LEU 33 HD13 0.11 -0.02 -0.00 -0.04 0.93 0.98 3i9v11 LEU 33 HD23 -0.02 -0.04 0.03 -0.04 0.89 0.82 3i9v11 ARG 34 H -0.03 0.68 0.02 -0.55 8.46 8.58 3i9v11 ARG 34 HA -0.11 -0.01 0.40 -0.75 4.34 3.86 3i9v11 ARG 34 HB2 -0.08 0.13 0.18 -0.04 1.90 2.10 3i9v11 ARG 34 HB3 -0.28 -0.03 0.03 -0.04 1.80 1.48 3i9v11 ARG 34 HG2 -0.11 -0.03 0.05 -0.04 1.67 1.54 3i9v11 ARG 34 HG3 -0.06 -0.04 0.05 -0.04 1.67 1.58 3i9v11 ARG 34 HD2 -0.05 -0.05 -0.04 -0.04 3.22 3.04 3i9v11 ARG 34 HD3 -0.04 -0.03 -0.21 -0.04 3.22 2.90 3i9v11 HIS 35 H -0.00 0.32 -0.62 -0.55 8.41 7.57 3i9v11 HIS 35 HA -0.18 0.14 0.78 -0.75 4.63 4.62 3i9v11 HIS 35 HB2 -0.27 0.04 0.01 -0.04 3.26 3.00 3i9v11 HIS 35 HB3 -0.11 -0.01 0.12 -0.04 3.20 3.16 3i9v11 HIS 35 HD2 -0.17 0.00 -0.04 -0.04 6.97 6.72 3i9v11 HIS 35 HE1 -0.97 -0.06 -0.06 -0.04 7.75 6.61 3i9v11 GLY 36 H -0.13 0.25 -0.46 -0.55 8.43 7.55 3i9v11 GLY 36 HA2 -0.10 -0.04 0.32 -0.51 4.01 3.68 3i9v11 GLY 36 HA3 -0.12 0.02 0.42 -0.51 4.01 3.82 3i9v11 GLY 37 H -0.14 0.21 0.22 -0.55 8.43 8.18 3i9v11 GLY 37 HA2 -0.94 0.24 0.12 -0.51 4.01 2.91 3i9v11 GLY 37 HA3 -0.09 -0.16 0.25 -0.51 4.01 3.50 3i9v11 TYR 38 H 0.29 0.15 0.03 -0.55 8.29 8.21 3i9v11 TYR 38 HA 0.15 0.11 0.43 -0.75 4.56 4.50 3i9v11 TYR 38 HB2 0.16 0.04 0.11 -0.04 3.06 3.33 3i9v11 TYR 38 HB3 0.35 0.01 0.17 -0.04 2.98 3.46 3i9v11 TYR 38 HD2 -0.03 -0.01 0.01 -0.04 7.15 7.09 3i9v11 TYR 38 HE2 -0.09 -0.02 -0.09 -0.04 6.85 6.61 3i9v11 GLU 39 H -0.02 0.59 -0.98 -0.55 8.60 7.64 3i9v11 GLU 39 HA -0.03 0.05 0.34 -0.75 4.29 3.89 3i9v11 GLU 39 HB2 -0.06 0.15 -0.14 -0.04 2.09 1.99 3i9v11 GLU 39 HB3 -0.06 0.06 -0.04 -0.04 1.99 1.91 3i9v11 GLU 39 HG2 -0.05 0.04 -0.03 -0.04 2.34 2.26 3i9v11 GLU 39 HG3 -0.05 -0.01 -0.01 -0.04 2.34 2.24 3i9v11 THR 40 H -0.04 0.25 -0.02 -0.55 8.28 7.93 3i9v11 THR 40 HA -0.05 0.11 0.39 -0.75 4.39 4.09 3i9v11 THR 40 HB -0.00 -0.06 0.01 -0.04 4.32 4.23 3i9v11 THR 40 HG23 -0.01 0.05 -0.22 -0.04 1.22 0.99 3i9v11 ALA 41 H 0.04 0.04 -0.31 -0.55 8.40 7.62 3i9v11 ALA 41 HA 0.02 0.08 0.23 -0.75 4.34 3.92 3i9v11 ALA 41 HB3 0.28 0.02 0.01 -0.04 1.41 1.68 3i9v11 LYS 42 H -0.27 0.34 -0.31 -0.55 8.42 7.63 3i9v11 LYS 42 HA -1.36 0.05 0.39 -0.75 4.32 2.64 3i9v11 LYS 42 HB2 -0.99 -0.02 0.08 -0.04 1.87 0.91 3i9v11 LYS 42 HB3 -0.33 0.09 0.16 -0.04 1.79 1.67 3i9v11 LYS 42 HG2 -0.25 0.03 -0.36 -0.04 1.46 0.83 3i9v11 LYS 42 HG3 -0.44 0.01 -0.02 -0.04 1.46 0.97 3i9v11 LYS 42 HD2 -0.12 -0.01 -0.00 -0.04 1.69 1.52 3i9v11 LYS 42 HD3 -0.09 -0.01 -0.03 -0.04 1.68 1.51 3i9v11 LYS 42 HE2 0.02 0.01 0.00 -0.04 2.99 2.99 3i9v11 LYS 42 HE3 -0.09 0.01 -0.02 -0.04 2.99 2.85 3i9v11 ARG 43 H -0.18 0.44 -0.05 -0.55 8.46 8.12 3i9v11 ARG 43 HA -0.10 -0.02 0.40 -0.75 4.34 3.87 3i9v11 ARG 43 HB2 -0.08 0.16 0.27 -0.04 1.90 2.21 3i9v11 ARG 43 HB3 -0.06 -0.01 0.11 -0.04 1.80 1.80 3i9v11 ARG 43 HG2 -0.06 -0.06 0.08 -0.04 1.67 1.58 3i9v11 ARG 43 HG3 -0.07 0.05 0.08 -0.04 1.67 1.69 3i9v11 ARG 43 HD2 -0.04 -0.05 0.03 -0.04 3.22 3.12 3i9v11 ARG 43 HD3 -0.05 0.03 0.05 -0.04 3.22 3.20 3i9v11 VAL 44 H -0.07 0.61 -0.03 -0.55 8.24 8.20 3i9v11 VAL 44 HA -0.02 -0.16 0.25 -0.75 4.13 3.45 3i9v11 VAL 44 HB -0.05 0.08 -0.02 -0.04 2.12 2.09 3i9v11 VAL 44 HG13 0.08 -0.00 -0.02 -0.04 0.97 0.99 3i9v11 VAL 44 HG23 -0.01 0.21 0.05 -0.04 0.95 1.16 3i9v11 LEU 45 H -0.17 0.38 -0.56 -0.55 8.37 7.46 3i9v11 LEU 45 HA -0.62 0.09 0.29 -0.75 4.35 3.36 3i9v11 LEU 45 HB2 -0.09 0.11 0.13 -0.04 1.64 1.75 3i9v11 LEU 45 HB3 -0.15 -0.08 -0.02 -0.04 1.64 1.34 3i9v11 LEU 45 HG -0.31 0.01 -0.06 -0.04 1.64 1.23 3i9v11 LEU 45 HD13 0.26 -0.02 -0.13 -0.04 0.93 0.99 3i9v11 LEU 45 HD23 -1.37 -0.00 -0.07 -0.04 0.89 -0.60 3i9v11 LYS 46 H -0.09 0.52 0.09 -0.55 8.42 8.38 3i9v11 LYS 46 HA -0.01 0.07 0.72 -0.75 4.32 4.34 3i9v11 LYS 46 HB2 -0.03 -0.03 0.01 -0.04 1.87 1.77 3i9v11 LYS 46 HB3 -0.01 -0.08 0.09 -0.04 1.79 1.74 3i9v11 LYS 46 HG2 -0.01 -0.03 -0.00 -0.04 1.46 1.37 3i9v11 LYS 46 HG3 -0.10 0.41 0.16 -0.04 1.46 1.89 3i9v11 LYS 46 HD2 -0.07 -0.06 -0.04 -0.04 1.69 1.49 3i9v11 LYS 46 HD3 -0.02 -0.06 0.00 -0.04 1.68 1.56 3i9v11 LYS 46 HE2 0.03 0.14 0.06 -0.04 2.99 3.18 3i9v11 LYS 46 HE3 -0.11 -0.07 -0.02 -0.04 2.99 2.74 3i9v11 GLU 47 H -0.03 0.33 -0.17 -0.55 8.60 8.18 3i9v11 GLU 47 HA 0.01 0.10 0.64 -0.75 4.29 4.29 3i9v11 GLU 47 HB2 -0.01 -0.06 0.04 -0.04 2.09 2.01 3i9v11 GLU 47 HB3 -0.00 -0.06 -0.01 -0.04 1.99 1.87 3i9v11 GLU 47 HG2 -0.01 -0.01 -0.13 -0.04 2.34 2.15 3i9v11 GLU 47 HG3 -0.03 0.09 -0.03 -0.04 2.34 2.33 3i9v11 LYS 48 H 0.02 0.04 0.06 -0.55 8.42 7.99 3i9v11 LYS 48 HA 0.04 -0.08 0.50 -0.75 4.32 4.02 3i9v11 LYS 48 HB2 0.05 0.03 0.15 -0.04 1.87 2.07 3i9v11 LYS 48 HB3 0.06 0.02 -0.09 -0.04 1.79 1.75 3i9v11 LYS 48 HG2 0.03 0.01 -0.03 -0.04 1.46 1.43 3i9v11 LYS 48 HG3 0.03 -0.05 0.00 -0.04 1.46 1.40 3i9v11 LYS 48 HD2 0.01 -0.06 -0.07 -0.04 1.69 1.53 3i9v11 LYS 48 HD3 0.01 0.03 0.03 -0.04 1.68 1.70 3i9v11 LYS 48 HE2 0.01 -0.03 -0.02 -0.04 2.99 2.92 3i9v11 LYS 48 HE3 0.01 0.01 -0.00 -0.04 2.99 2.96 3i9v11 THR 49 H 0.04 -0.04 0.17 -0.55 8.28 7.89 3i9v11 THR 49 HA 0.10 0.27 0.46 -0.75 4.39 4.48 3i9v11 THR 49 HB 0.01 0.09 0.18 -0.04 4.32 4.56 3i9v11 THR 49 HG23 0.02 0.02 0.11 -0.04 1.22 1.33 3i9v11 PRO 50 HA -0.53 0.14 0.48 -0.51 4.44 4.03 3i9v11 PRO 50 HB2 -0.19 -0.08 0.14 -0.04 2.28 2.11 3i9v11 PRO 50 HB3 -0.44 0.36 0.19 -0.04 2.02 2.09 3i9v11 PRO 50 HG2 -0.20 0.02 0.11 -0.04 2.03 1.92 3i9v11 PRO 50 HG3 -0.74 0.16 0.09 -0.04 2.03 1.51 3i9v11 PRO 50 HD2 -0.09 -0.01 0.24 -0.04 3.68 3.78 3i9v11 PRO 50 HD3 -0.07 0.21 0.19 -0.04 3.65 3.94 3i9v11 ASP 51 H -0.07 0.17 0.02 -0.55 8.40 7.97 3i9v11 ASP 51 HA -0.01 0.16 0.41 -0.75 4.63 4.43 3i9v11 ASP 51 HB2 -0.01 -0.05 0.06 -0.04 2.71 2.67 3i9v11 ASP 51 HB3 -0.00 -0.01 0.02 -0.04 2.70 2.67 3i9v11 GLU 52 H -0.01 0.10 -0.52 -0.55 8.60 7.63 3i9v11 GLU 52 HA 0.01 0.04 0.51 -0.75 4.29 4.10 3i9v11 GLU 52 HB2 0.02 0.10 0.03 -0.04 2.09 2.21 3i9v11 GLU 52 HB3 0.03 0.02 -0.01 -0.04 1.99 1.99 3i9v11 GLU 52 HG2 0.01 0.01 0.03 -0.04 2.34 2.35 3i9v11 GLU 52 HG3 0.01 -0.03 0.01 -0.04 2.34 2.29 3i9v11 VAL 53 H 0.01 0.53 -0.29 -0.55 8.24 7.94 3i9v11 VAL 53 HA 0.07 0.04 0.59 -0.75 4.13 4.08 3i9v11 VAL 53 HB 0.10 0.11 0.01 -0.04 2.12 2.30 3i9v11 VAL 53 HG13 -0.02 0.06 0.01 -0.04 0.97 0.99 3i9v11 VAL 53 HG23 0.14 -0.03 0.04 -0.04 0.95 1.06 3i9v11 ILE 54 H 0.06 0.25 -0.47 -0.55 8.25 7.54 3i9v11 ILE 54 HA 0.28 0.14 0.74 -0.75 4.18 4.58 3i9v11 ILE 54 HB 0.06 0.15 0.13 -0.04 1.89 2.19 3i9v11 ILE 54 HG12 0.39 -0.07 -0.08 -0.04 1.49 1.68 3i9v11 ILE 54 HG13 0.09 0.18 -0.06 -0.04 1.21 1.37 3i9v11 ILE 54 HG23 0.10 -0.02 -0.16 -0.04 0.93 0.80 3i9v11 ILE 54 HD13 0.06 0.04 -0.17 -0.04 0.88 0.77 3i9v11 GLU 55 H 0.03 0.43 0.01 -0.55 8.60 8.53 3i9v11 GLU 55 HA -0.01 0.04 0.50 -0.75 4.29 4.07 3i9v11 GLU 55 HB2 0.01 0.10 0.16 -0.04 2.09 2.32 3i9v11 GLU 55 HB3 0.00 -0.03 0.03 -0.04 1.99 1.95 3i9v11 GLU 55 HG2 0.01 0.14 0.08 -0.04 2.34 2.53 3i9v11 GLU 55 HG3 0.00 -0.01 0.03 -0.04 2.34 2.33 3i9v11 GLU 56 H 0.03 0.36 -0.38 -0.55 8.60 8.06 3i9v11 GLU 56 HA 0.01 0.03 0.47 -0.75 4.29 4.06 3i9v11 GLU 56 HB2 0.03 0.09 0.11 -0.04 2.09 2.28 3i9v11 GLU 56 HB3 0.04 0.13 -0.03 -0.04 1.99 2.10 3i9v11 GLU 56 HG2 0.03 0.10 -0.05 -0.04 2.34 2.38 3i9v11 GLU 56 HG3 0.02 -0.08 0.06 -0.04 2.34 2.30 3i9v11 VAL 57 H -0.02 0.30 -0.68 -0.55 8.24 7.29 3i9v11 VAL 57 HA -0.15 0.14 0.82 -0.75 4.13 4.19 3i9v11 VAL 57 HB -0.25 0.14 0.10 -0.04 2.12 2.06 3i9v11 VAL 57 HG13 -0.57 -0.04 -0.08 -0.04 0.97 0.24 3i9v11 VAL 57 HG23 0.03 0.07 -0.04 -0.04 0.95 0.96 3i9v11 LYS 58 H -0.07 0.44 0.07 -0.55 8.42 8.30 3i9v11 LYS 58 HA -0.11 -0.09 0.60 -0.75 4.32 3.95 3i9v11 LYS 58 HB2 -0.06 0.12 0.08 -0.04 1.87 1.97 3i9v11 LYS 58 HB3 -0.04 0.09 0.15 -0.04 1.79 1.95 3i9v11 LYS 58 HG2 -0.06 0.03 -0.07 -0.04 1.46 1.33 3i9v11 LYS 58 HG3 -0.09 -0.13 -0.01 -0.04 1.46 1.19 3i9v11 LYS 58 HD2 -0.04 0.01 -0.02 -0.04 1.69 1.60 3i9v11 LYS 58 HD3 -0.06 -0.00 -0.03 -0.04 1.68 1.54 3i9v11 LYS 58 HE2 -0.09 -0.04 -0.25 -0.04 2.99 2.57 3i9v11 LYS 58 HE3 -0.04 0.03 -0.13 -0.04 2.99 2.80 3i9v11 ARG 59 H -0.03 0.54 -0.14 -0.55 8.46 8.27 3i9v11 ARG 59 HA -0.01 0.09 0.34 -0.75 4.34 4.01 3i9v11 ARG 59 HB2 0.01 -0.00 0.05 -0.04 1.90 1.92 3i9v11 ARG 59 HB3 0.02 -0.04 -0.02 -0.04 1.80 1.72 3i9v11 ARG 59 HG2 -0.00 -0.03 0.01 -0.04 1.67 1.60 3i9v11 ARG 59 HG3 -0.01 0.17 0.11 -0.04 1.67 1.91 3i9v11 ARG 59 HD2 0.01 -0.03 -0.07 -0.04 3.22 3.10 3i9v11 ARG 59 HD3 0.01 -0.04 -0.02 -0.04 3.22 3.14 3i9v11 SER 60 H -0.04 0.08 -0.56 -0.55 8.46 7.40 3i9v11 SER 60 HA 0.14 0.04 0.51 -0.75 4.49 4.42 3i9v11 SER 60 HB2 -0.30 -0.02 0.08 -0.04 3.95 3.66 3i9v11 SER 60 HB3 -0.10 0.23 0.21 -0.04 3.93 4.23 3i9v11 GLY 61 H -0.02 0.23 -0.45 -0.55 8.43 7.64 3i9v11 GLY 61 HA2 -0.00 0.04 0.20 -0.51 4.01 3.75 3i9v11 GLY 61 HA3 0.07 0.13 0.48 -0.51 4.01 4.18 3i9v11 LEU 62 H -0.08 0.16 -0.05 -0.55 8.37 7.85 3i9v11 LEU 62 HA 0.17 0.17 0.48 -0.75 4.35 4.42 3i9v11 LEU 62 HB2 -0.40 0.06 -0.01 -0.04 1.64 1.24 3i9v11 LEU 62 HB3 -0.24 -0.05 0.09 -0.04 1.64 1.40 3i9v11 LEU 62 HG -0.09 -0.14 -0.26 -0.04 1.64 1.10 3i9v11 LEU 62 HD13 0.07 0.01 -0.01 -0.04 0.93 0.96 3i9v11 LEU 62 HD23 -0.21 0.05 -0.10 -0.04 0.89 0.59 3i9v11 ARG 63 H 0.10 0.31 0.23 -0.55 8.46 8.55 3i9v11 ARG 63 HA 0.04 0.05 0.78 -0.75 4.34 4.45 3i9v11 ARG 63 HB2 0.28 -0.02 0.12 -0.04 1.90 2.24 3i9v11 ARG 63 HB3 0.28 0.18 0.00 -0.04 1.80 2.22 3i9v11 ARG 63 HG2 0.02 -0.07 -0.04 -0.04 1.67 1.54 3i9v11 ARG 63 HG3 0.06 0.07 -0.13 -0.04 1.67 1.63 3i9v11 ARG 63 HD2 0.11 0.27 0.18 -0.04 3.22 3.73 3i9v11 ARG 63 HD3 0.47 -0.13 0.12 -0.04 3.22 3.65 3i9v11 GLY 64 H 0.11 0.80 -0.01 -0.55 8.43 8.79 3i9v11 GLY 64 HA2 0.09 -0.04 0.35 -0.51 4.01 3.90 3i9v11 GLY 64 HA3 0.11 -0.07 0.34 -0.51 4.01 3.88 3i9v11 ARG 65 H 0.09 0.04 0.22 -0.55 8.46 8.26 3i9v11 ARG 65 HA 0.12 0.36 0.61 -0.75 4.34 4.67 3i9v11 ARG 65 HB2 0.08 -0.31 0.04 -0.04 1.90 1.67 3i9v11 ARG 65 HB3 0.05 0.05 0.14 -0.04 1.80 2.00 3i9v11 ARG 65 HG2 0.09 0.06 0.01 -0.04 1.67 1.79 3i9v11 ARG 65 HG3 0.07 0.01 -0.14 -0.04 1.67 1.57 3i9v11 ARG 65 HD2 0.01 -0.03 -0.00 -0.04 3.22 3.15 3i9v11 ARG 65 HD3 0.13 0.00 -0.08 -0.04 3.22 3.23 3i9v11 GLY 66 H 0.08 0.02 -0.11 -0.55 8.43 7.87 3i9v11 GLY 66 HA2 0.07 0.08 0.63 -0.51 4.01 4.28 3i9v11 GLY 66 HA3 0.06 0.02 0.34 -0.51 4.01 3.93 3i9v11 GLY 67 H 0.05 0.14 -0.37 -0.55 8.43 7.71 3i9v11 GLY 67 HA2 0.03 0.38 0.15 -0.51 4.01 4.06 3i9v11 GLY 67 HA3 0.06 0.10 0.66 -0.51 4.01 4.32 3i9v11 ALA 68 H 0.05 -0.07 -0.19 -0.55 8.40 7.64 3i9v11 ALA 68 HA 0.05 0.12 0.38 -0.75 4.34 4.13 3i9v11 ALA 68 HB3 0.07 -0.02 0.09 -0.04 1.41 1.51 3i9v11 GLY 69 H 0.01 0.05 -0.08 -0.55 8.43 7.86 3i9v11 GLY 69 HA2 -0.19 0.15 0.30 -0.51 4.01 3.76 3i9v11 GLY 69 HA3 -0.26 0.21 0.64 -0.51 4.01 4.10 3i9v11 PHE 70 H 0.19 -0.07 -0.32 -0.55 8.34 7.59 3i9v11 PHE 70 HA 0.01 0.20 0.30 -0.75 4.62 4.38 3i9v11 PHE 70 HB2 0.02 0.01 0.05 -0.04 3.15 3.20 3i9v11 PHE 70 HB3 0.03 -0.12 0.01 -0.04 3.06 2.94 3i9v11 PHE 70 HD2 0.03 -0.06 -0.22 -0.04 7.28 6.98 3i9v11 PHE 70 HE2 0.07 0.01 -0.10 -0.04 7.38 7.31 3i9v11 PHE 70 HZ 0.27 0.04 -0.05 -0.04 7.32 7.54 3i9v11 PRO 71 HA -0.13 0.21 0.62 -0.51 4.44 4.62 3i9v11 PRO 71 HB2 -0.49 -0.07 0.26 -0.04 2.28 1.94 3i9v11 PRO 71 HB3 -0.25 0.06 0.16 -0.04 2.02 1.96 3i9v11 PRO 71 HG2 -0.60 0.05 0.13 -0.04 2.03 1.57 3i9v11 PRO 71 HG3 -0.30 0.14 0.14 -0.04 2.03 1.97 3i9v11 PRO 71 HD2 -1.96 0.07 0.23 -0.04 3.68 1.98 3i9v11 PRO 71 HD3 -0.41 0.26 0.20 -0.04 3.65 3.67 3i9v11 THR 72 H -0.09 0.63 0.42 -0.55 8.28 8.69 3i9v11 THR 72 HA -0.03 0.02 0.23 -0.75 4.39 3.85 3i9v11 THR 72 HB -0.25 -0.03 0.07 -0.04 4.32 4.07 3i9v11 THR 72 HG23 0.01 -0.02 -0.09 -0.04 1.22 1.09 3i9v11 GLY 73 H -0.24 0.19 -0.21 -0.55 8.43 7.63 3i9v11 GLY 73 HA2 -0.45 0.18 0.69 -0.51 4.01 3.92 3i9v11 GLY 73 HA3 -0.23 0.07 0.06 -0.51 4.01 3.41 3i9v11 LEU 74 H -0.15 0.11 -0.05 -0.55 8.37 7.74 3i9v11 LEU 74 HA -0.19 0.10 0.51 -0.75 4.35 4.01 3i9v11 LEU 74 HB2 -0.14 -0.01 0.13 -0.04 1.64 1.57 3i9v11 LEU 74 HB3 -0.11 0.13 0.13 -0.04 1.64 1.76 3i9v11 LEU 74 HG -0.24 0.01 -0.20 -0.04 1.64 1.17 3i9v11 LEU 74 HD13 -0.27 0.00 0.05 -0.04 0.93 0.68 3i9v11 LEU 74 HD23 0.03 -0.00 0.01 -0.04 0.89 0.88 3i9v11 LYS 75 H 0.03 0.19 -0.33 -0.55 8.42 7.75 3i9v11 LYS 75 HA 0.27 0.08 0.45 -0.75 4.32 4.36 3i9v11 LYS 75 HB2 0.29 0.02 -0.05 -0.04 1.87 2.08 3i9v11 LYS 75 HB3 0.05 0.09 0.02 -0.04 1.79 1.90 3i9v11 LYS 75 HG2 0.26 0.04 -0.14 -0.04 1.46 1.58 3i9v11 LYS 75 HG3 0.07 -0.02 0.02 -0.04 1.46 1.49 3i9v11 LYS 75 HD2 0.14 -0.08 -0.05 -0.04 1.69 1.67 3i9v11 LYS 75 HD3 0.22 0.05 -0.01 -0.04 1.68 1.90 3i9v11 LYS 75 HE2 0.08 -0.01 0.07 -0.04 2.99 3.09 3i9v11 LYS 75 HE3 -0.07 -0.02 0.01 -0.04 2.99 2.88 3i9v11 TRP 76 H 0.02 0.28 -0.27 -0.55 7.97 7.45 3i9v11 TRP 76 HA 0.02 0.05 0.44 -0.75 4.62 4.38 3i9v11 TRP 76 HB2 -0.02 0.08 0.08 -0.04 3.23 3.33 3i9v11 TRP 76 HB3 -0.01 0.05 0.01 -0.04 3.23 3.24 3i9v11 TRP 76 HD1 0.05 -0.09 -0.19 -0.04 7.22 6.94 3i9v11 TRP 76 HE1 0.06 -0.13 -0.10 -0.04 10.20 9.99 3i9v11 TRP 76 HE3 -0.02 0.01 -0.00 -0.04 7.59 7.53 3i9v11 TRP 76 HZ2 0.04 -0.11 -0.07 -0.04 7.44 7.26 3i9v11 TRP 76 HZ3 -0.01 0.11 -0.05 -0.04 7.13 7.14 3i9v11 TRP 76 HH2 0.01 -0.01 -0.05 -0.04 7.19 7.10 3i9v11 SER 77 H -0.04 0.12 -0.73 -0.55 8.46 7.27 3i9v11 SER 77 HA -0.00 0.07 0.30 -0.75 4.49 4.10 3i9v11 SER 77 HB2 -0.12 -0.08 0.09 -0.04 3.95 3.80 3i9v11 SER 77 HB3 -0.16 0.00 0.13 -0.04 3.93 3.86 3i9v11 PHE 78 H 0.07 0.28 -0.67 -0.55 8.34 7.47 3i9v11 PHE 78 HA 0.01 0.11 0.69 -0.75 4.62 4.68 3i9v11 PHE 78 HB2 0.00 0.12 0.07 -0.04 3.15 3.30 3i9v11 PHE 78 HB3 -0.04 -0.10 0.02 -0.04 3.06 2.90 3i9v11 PHE 78 HD2 -0.04 0.02 0.04 -0.04 7.28 7.25 3i9v11 PHE 78 HE2 0.02 -0.08 -0.06 -0.04 7.38 7.22 3i9v11 PHE 78 HZ 0.10 -0.07 -0.03 -0.04 7.32 7.27 3i9v11 MET 79 H 0.13 0.21 -0.19 -0.55 8.47 8.07 3i9v11 MET 79 HA 0.02 0.03 0.33 -0.75 4.52 4.14 3i9v11 MET 79 HB2 0.03 0.09 0.08 -0.04 2.15 2.30 3i9v11 MET 79 HB3 -0.08 0.19 0.01 -0.04 2.03 2.10 3i9v11 MET 79 HG2 0.09 -0.10 0.06 -0.04 2.63 2.63 3i9v11 MET 79 HG3 -0.03 -0.04 0.03 -0.04 2.56 2.48 3i9v11 MET 79 HE3 -0.25 0.06 -0.07 -0.04 2.10 1.79 3i9v11 PRO 80 HA 0.04 -0.07 0.45 -0.51 4.44 4.35 3i9v11 PRO 80 HB2 0.02 0.02 0.05 -0.04 2.28 2.33 3i9v11 PRO 80 HB3 0.06 -0.08 0.05 -0.04 2.02 2.01 3i9v11 PRO 80 HG2 -0.09 0.06 0.16 -0.04 2.03 2.12 3i9v11 PRO 80 HG3 0.00 -0.01 0.11 -0.04 2.03 2.09 3i9v11 PRO 80 HD2 -0.24 0.11 0.24 -0.04 3.68 3.74 3i9v11 PRO 80 HD3 -0.03 0.16 0.18 -0.04 3.65 3.92 3i9v11 LYS 81 H 0.05 0.04 0.13 -0.55 8.42 8.08 3i9v11 LYS 81 HA 0.05 0.15 0.36 -0.75 4.32 4.12 3i9v11 LYS 81 HB2 0.04 -0.22 0.22 -0.04 1.87 1.88 3i9v11 LYS 81 HB3 0.03 0.00 0.10 -0.04 1.79 1.88 3i9v11 LYS 81 HG2 0.04 -0.00 0.12 -0.04 1.46 1.58 3i9v11 LYS 81 HG3 0.03 -0.05 0.07 -0.04 1.46 1.47 3i9v11 LYS 81 HD2 0.04 0.24 -0.00 -0.04 1.69 1.92 3i9v11 LYS 81 HD3 0.03 -0.04 0.02 -0.04 1.68 1.65 3i9v11 LYS 81 HE2 0.02 -0.09 0.02 -0.04 2.99 2.90 3i9v11 LYS 81 HE3 0.02 0.02 0.05 -0.04 2.99 3.04 3i9v11 ASP 82 H 0.05 0.10 0.00 -0.55 8.40 8.01 3i9v11 ASP 82 HA 0.07 0.24 0.89 -0.75 4.63 5.07 3i9v11 ASP 82 HB2 0.03 -0.06 0.14 -0.04 2.71 2.78 3i9v11 ASP 82 HB3 0.03 -0.00 0.05 -0.04 2.70 2.73 3i9v11 ASP 83 H 0.09 0.21 0.05 -0.55 8.40 8.21 3i9v11 ASP 83 HA 0.05 0.21 0.87 -0.75 4.63 5.00 3i9v11 ASP 83 HB2 0.08 0.01 0.06 -0.04 2.71 2.82 3i9v11 ASP 83 HB3 0.08 0.00 -0.03 -0.04 2.70 2.71 3i9v11 GLY 84 H 0.00 0.11 0.10 -0.55 8.43 8.10 3i9v11 GLY 84 HA2 -0.02 0.03 0.32 -0.51 4.01 3.83 3i9v11 GLY 84 HA3 0.00 0.16 0.77 -0.51 4.01 4.44 3i9v11 LYS 85 H 0.05 -0.05 -0.21 -0.55 8.42 7.66 3i9v11 LYS 85 HA 0.02 0.06 0.55 -0.75 4.32 4.21 3i9v11 LYS 85 HB2 0.19 0.00 0.04 -0.04 1.87 2.07 3i9v11 LYS 85 HB3 0.13 0.11 0.12 -0.04 1.79 2.11 3i9v11 LYS 85 HG2 0.07 -0.01 0.00 -0.04 1.46 1.48 3i9v11 LYS 85 HG3 0.08 -0.05 -0.07 -0.04 1.46 1.37 3i9v11 LYS 85 HD2 0.12 0.02 0.03 -0.04 1.69 1.82 3i9v11 LYS 85 HD3 0.11 0.06 0.03 -0.04 1.68 1.83 3i9v11 LYS 85 HE2 0.06 -0.04 0.01 -0.04 2.99 2.98 3i9v11 LYS 85 HE3 0.07 -0.04 0.01 -0.04 2.99 2.98 3i9v11 GLN 86 H 0.02 0.06 0.18 -0.55 8.47 8.18 3i9v11 GLN 86 HA -0.14 0.07 0.69 -0.75 4.36 4.22 3i9v11 GLN 86 HB2 -0.05 -0.01 0.14 -0.04 2.15 2.19 3i9v11 GLN 86 HB3 0.03 -0.02 0.16 -0.04 2.02 2.14 3i9v11 GLN 86 HG2 -0.13 -0.05 -0.04 -0.04 2.40 2.14 3i9v11 GLN 86 HG3 -0.61 0.04 -0.30 -0.04 2.39 1.47 3i9v11 GLN 86 HE21 -0.11 -0.02 0.01 -0.04 6.97 6.80 3i9v11 GLN 86 HE22 -0.07 -0.03 -0.00 -0.04 7.69 7.55 3i9v11 HIS 87 H -0.15 0.11 0.31 -0.55 8.41 8.14 3i9v11 HIS 87 HA 0.00 0.32 0.99 -0.75 4.63 5.19 3i9v11 HIS 87 HB2 0.01 0.01 -0.10 -0.04 3.26 3.14 3i9v11 HIS 87 HB3 0.04 0.04 0.06 -0.04 3.20 3.30 3i9v11 HIS 87 HD2 0.04 0.14 -0.43 -0.04 6.97 6.67 3i9v11 HIS 87 HE1 0.02 0.19 0.02 -0.04 7.75 7.94 3i9v11 TYR 88 H 0.25 0.60 0.29 -0.55 8.29 8.88 3i9v11 TYR 88 HA 0.21 0.30 1.05 -0.75 4.56 5.37 3i9v11 TYR 88 HB2 0.16 -0.03 -0.03 -0.04 3.06 3.11 3i9v11 TYR 88 HB3 0.22 -0.07 -0.11 -0.04 2.98 2.99 3i9v11 TYR 88 HD2 0.32 0.04 -0.22 -0.04 7.15 7.25 3i9v11 TYR 88 HE2 0.39 0.01 -0.14 -0.04 6.85 7.07 3i9v11 LEU 89 H 0.33 0.53 0.38 -0.55 8.37 9.06 3i9v11 LEU 89 HA 0.16 0.27 1.01 -0.75 4.35 5.04 3i9v11 LEU 89 HB2 0.12 0.08 -0.05 -0.04 1.64 1.75 3i9v11 LEU 89 HB3 0.29 0.01 0.09 -0.04 1.64 1.99 3i9v11 LEU 89 HG 0.17 -0.11 -0.30 -0.04 1.64 1.36 3i9v11 LEU 89 HD13 0.02 0.04 -0.12 -0.04 0.93 0.82 3i9v11 LEU 89 HD23 0.06 -0.01 -0.12 -0.04 0.89 0.78 3i9v11 ILE 90 H 0.16 0.56 0.32 -0.55 8.25 8.74 3i9v11 ILE 90 HA 0.22 0.23 1.25 -0.75 4.18 5.13 3i9v11 ILE 90 HB 0.09 -0.07 0.12 -0.04 1.89 1.99 3i9v11 ILE 90 HG12 0.19 0.03 -0.14 -0.04 1.49 1.53 3i9v11 ILE 90 HG13 0.15 -0.00 -0.40 -0.04 1.21 0.92 3i9v11 ILE 90 HG23 0.10 -0.02 -0.27 -0.04 0.93 0.70 3i9v11 ILE 90 HD13 -0.09 -0.01 -0.12 -0.04 0.88 0.63 3i9v11 CYS 91 H 0.18 0.52 0.27 -0.55 8.50 8.92 3i9v11 CYS 91 HA 0.14 0.16 0.78 -0.75 4.58 4.91 3i9v11 CYS 91 HB2 0.15 0.08 0.02 -0.04 2.97 3.18 3i9v11 CYS 91 HB3 0.15 -0.05 0.13 -0.04 2.97 3.15 3i9v11 ASN 92 H 0.11 0.70 0.28 -0.55 8.53 9.08 3i9v11 ASN 92 HA 0.10 0.21 0.83 -0.75 4.76 5.14 3i9v11 ASN 92 HB2 0.04 0.08 0.01 -0.04 2.88 2.97 3i9v11 ASN 92 HB3 0.07 -0.07 0.09 -0.04 2.79 2.84 3i9v11 ASN 92 HD21 -0.00 0.09 0.12 -0.04 7.03 7.20 3i9v11 ASN 92 HD22 0.03 -0.14 0.05 -0.04 7.74 7.65 3i9v11 ALA 93 H 0.15 0.34 -0.27 -0.55 8.40 8.07 3i9v11 ALA 93 HA 0.11 0.05 0.78 -0.75 4.34 4.53 3i9v11 ALA 93 HB3 0.13 -0.00 -0.04 -0.04 1.41 1.46 3i9v11 ASP 94 H 0.09 0.19 -0.54 -0.55 8.40 7.58 3i9v11 ASP 94 HA 0.05 -0.06 0.73 -0.75 4.63 4.59 3i9v11 ASP 94 HB2 0.20 0.17 -0.10 -0.04 2.71 2.94 3i9v11 ASP 94 HB3 -0.01 0.03 0.11 -0.04 2.70 2.80 3i9v11 GLU 95 H -0.11 0.18 -0.08 -0.55 8.60 8.05 3i9v11 GLU 95 HA 0.07 0.17 0.79 -0.75 4.29 4.57 3i9v11 GLU 95 HB2 0.12 -0.04 -0.03 -0.04 2.09 2.10 3i9v11 GLU 95 HB3 0.09 -0.01 0.14 -0.04 1.99 2.17 3i9v11 GLU 95 HG2 0.16 0.21 -0.13 -0.04 2.34 2.54 3i9v11 GLU 95 HG3 0.13 0.04 -0.08 -0.04 2.34 2.39 3i9v11 SER 96 H 0.15 0.19 0.13 -0.55 8.46 8.39 3i9v11 SER 96 HA 0.09 0.26 0.78 -0.75 4.49 4.87 3i9v11 SER 96 HB2 0.32 0.06 -0.02 -0.04 3.95 4.27 3i9v11 SER 96 HB3 0.22 0.02 0.03 -0.04 3.93 4.15 3i9v11 GLU 97 H 0.22 0.01 0.04 -0.55 8.60 8.32 3i9v11 GLU 97 HA 0.02 0.16 0.50 -0.75 4.29 4.21 3i9v11 GLU 97 HB2 0.51 -0.01 0.11 -0.04 2.09 2.66 3i9v11 GLU 97 HB3 0.19 -0.03 0.19 -0.04 1.99 2.30 3i9v11 GLU 97 HG2 0.08 0.06 -0.06 -0.04 2.34 2.38 3i9v11 GLU 97 HG3 0.01 0.10 -0.00 -0.04 2.34 2.41 3i9v11 PRO 98 HA -0.06 0.02 0.12 -0.51 4.44 4.02 3i9v11 PRO 98 HB2 -0.31 0.06 -0.01 -0.04 2.28 1.98 3i9v11 PRO 98 HB3 -0.27 0.06 0.08 -0.04 2.02 1.84 3i9v11 PRO 98 HG2 -1.44 0.08 0.07 -0.04 2.03 0.69 3i9v11 PRO 98 HG3 -0.86 0.09 0.13 -0.04 2.03 1.35 3i9v11 PRO 98 HD2 -0.55 -0.00 0.11 -0.04 3.68 3.20 3i9v11 PRO 98 HD3 -0.68 0.15 0.30 -0.04 3.65 3.38 3i9v11 GLY 99 H 0.05 0.12 0.04 -0.55 8.43 8.09 3i9v11 GLY 99 HA2 0.17 -0.00 0.22 -0.51 4.01 3.89 3i9v11 GLY 99 HA3 0.07 0.19 0.32 -0.51 4.01 4.08 3i9v11 SER 100 H 0.13 0.20 -0.48 -0.55 8.46 7.76 3i9v11 SER 100 HA -0.06 0.17 0.86 -0.75 4.49 4.71 3i9v11 SER 100 HB2 0.05 0.03 -0.02 -0.04 3.95 3.96 3i9v11 SER 100 HB3 0.10 0.32 0.12 -0.04 3.93 4.43 3i9v11 PHE 101 H -0.39 0.24 -0.02 -0.55 8.34 7.62 3i9v11 PHE 101 HA 0.15 0.04 0.55 -0.75 4.62 4.61 3i9v11 PHE 101 HB2 0.11 -0.07 0.12 -0.04 3.15 3.27 3i9v11 PHE 101 HB3 0.11 0.14 -0.18 -0.04 3.06 3.09 3i9v11 PHE 101 HD2 0.16 -0.08 -0.36 -0.04 7.28 6.96 3i9v11 PHE 101 HE2 0.05 0.01 -0.24 -0.04 7.38 7.16 3i9v11 PHE 101 HZ 0.05 0.12 -0.16 -0.04 7.32 7.29 3i9v11 LYS 102 H 0.04 0.16 0.07 -0.55 8.42 8.13 3i9v11 LYS 102 HA 0.14 0.24 0.64 -0.75 4.32 4.59 3i9v11 LYS 102 HB2 -0.00 -0.03 -0.02 -0.04 1.87 1.78 3i9v11 LYS 102 HB3 -0.14 0.18 -0.05 -0.04 1.79 1.74 3i9v11 LYS 102 HG2 -0.05 0.06 0.09 -0.04 1.46 1.52 3i9v11 LYS 102 HG3 0.05 -0.26 0.10 -0.04 1.46 1.31 3i9v11 LYS 102 HD2 -0.00 -0.16 0.02 -0.04 1.69 1.51 3i9v11 LYS 102 HD3 -0.08 0.43 0.15 -0.04 1.68 2.13 3i9v11 LYS 102 HE2 0.01 0.04 0.12 -0.04 2.99 3.12 3i9v11 LYS 102 HE3 0.00 0.13 0.16 -0.04 2.99 3.24 3i9v11 ASP 103 H 0.15 0.10 0.02 -0.55 8.40 8.12 3i9v11 ASP 103 HA 0.16 0.10 0.44 -0.75 4.63 4.57 3i9v11 ASP 103 HB2 0.20 0.03 0.06 -0.04 2.71 2.96 3i9v11 ASP 103 HB3 0.15 0.03 0.01 -0.04 2.70 2.85 3i9v11 ARG 104 H 0.16 0.11 -0.36 -0.55 8.46 7.82 3i9v11 ARG 104 HA -0.16 0.02 0.22 -0.75 4.34 3.67 3i9v11 ARG 104 HB2 -0.69 0.02 0.06 -0.04 1.90 1.24 3i9v11 ARG 104 HB3 -0.18 0.14 -0.03 -0.04 1.80 1.69 3i9v11 ARG 104 HG2 -1.72 0.11 -0.13 -0.04 1.67 -0.10 3i9v11 ARG 104 HG3 -0.91 -0.09 -0.44 -0.04 1.67 0.19 3i9v11 ARG 104 HD2 -0.78 -0.07 -0.04 -0.04 3.22 2.30 3i9v11 ARG 104 HD3 -1.34 -0.04 0.00 -0.04 3.22 1.80 3i9v11 TYR 105 H 0.13 0.28 -0.32 -0.55 8.29 7.83 3i9v11 TYR 105 HA -0.11 0.04 0.41 -0.75 4.56 4.15 3i9v11 TYR 105 HB2 -0.07 0.10 0.00 -0.04 3.06 3.05 3i9v11 TYR 105 HB3 -0.22 0.02 0.02 -0.04 2.98 2.75 3i9v11 TYR 105 HD2 0.09 0.04 -0.00 -0.04 7.15 7.23 3i9v11 TYR 105 HE2 0.07 0.05 -0.02 -0.04 6.85 6.91 3i9v11 ILE 106 H 0.08 0.31 -0.17 -0.55 8.25 7.92 3i9v11 ILE 106 HA -0.05 0.11 0.54 -0.75 4.18 4.03 3i9v11 ILE 106 HB 0.09 0.09 0.05 -0.04 1.89 2.07 3i9v11 ILE 106 HG12 0.06 0.04 -0.08 -0.04 1.49 1.47 3i9v11 ILE 106 HG13 0.24 0.06 -0.01 -0.04 1.21 1.46 3i9v11 ILE 106 HG23 0.06 0.01 -0.13 -0.04 0.93 0.83 3i9v11 ILE 106 HD13 0.18 -0.03 -0.09 -0.04 0.88 0.90 3i9v11 LEU 107 H 0.00 0.31 -0.35 -0.55 8.37 7.78 3i9v11 LEU 107 HA -0.00 0.09 0.47 -0.75 4.35 4.15 3i9v11 LEU 107 HB2 -0.04 0.17 0.11 -0.04 1.64 1.85 3i9v11 LEU 107 HB3 -0.01 -0.02 -0.03 -0.04 1.64 1.54 3i9v11 LEU 107 HG 0.08 0.06 -0.11 -0.04 1.64 1.63 3i9v11 LEU 107 HD13 0.13 -0.02 -0.06 -0.04 0.93 0.93 3i9v11 LEU 107 HD23 0.05 -0.00 -0.14 -0.04 0.89 0.76 3i9v11 GLU 108 H -0.11 0.36 0.05 -0.55 8.60 8.36 3i9v11 GLU 108 HA -0.17 0.09 0.40 -0.75 4.29 3.85 3i9v11 GLU 108 HB2 -0.08 0.02 0.04 -0.04 2.09 2.03 3i9v11 GLU 108 HB3 -0.20 0.01 -0.05 -0.04 1.99 1.71 3i9v11 GLU 108 HG2 -0.23 -0.15 -0.16 -0.04 2.34 1.75 3i9v11 GLU 108 HG3 -0.30 0.28 0.07 -0.04 2.34 2.35 3i9v11 ASP 109 H -0.00 0.35 -0.30 -0.55 8.40 7.90 3i9v11 ASP 109 HA 0.26 0.20 0.93 -0.75 4.63 5.27 3i9v11 ASP 109 HB2 0.02 0.06 -0.01 -0.04 2.71 2.74 3i9v11 ASP 109 HB3 0.16 -0.01 0.08 -0.04 2.70 2.90 3i9v11 VAL 110 H 0.03 0.23 -0.24 -0.55 8.24 7.71 3i9v11 VAL 110 HA 0.12 0.23 0.52 -0.75 4.13 4.24 3i9v11 VAL 110 HB 0.12 -0.06 0.18 -0.04 2.12 2.32 3i9v11 VAL 110 HG13 0.09 0.01 -0.27 -0.04 0.97 0.76 3i9v11 VAL 110 HG23 0.01 0.00 0.06 -0.04 0.95 0.98 3i9v11 PRO 111 HA -0.03 0.09 0.42 -0.51 4.44 4.41 3i9v11 PRO 111 HB2 -0.21 -0.01 0.01 -0.04 2.28 2.02 3i9v11 PRO 111 HB3 -0.08 0.00 0.03 -0.04 2.02 1.94 3i9v11 PRO 111 HG2 0.01 0.10 -0.06 -0.04 2.03 2.03 3i9v11 PRO 111 HG3 -0.02 0.50 -0.11 -0.04 2.03 2.35 3i9v11 PRO 111 HD2 0.13 0.09 -0.02 -0.04 3.68 3.84 3i9v11 PRO 111 HD3 0.13 0.05 -0.53 -0.04 3.65 3.26 3i9v11 HIS 112 H -0.11 0.24 -0.16 -0.55 8.41 7.84 3i9v11 HIS 112 HA -0.15 0.04 0.28 -0.75 4.63 4.05 3i9v11 HIS 112 HB2 -0.65 0.06 -0.04 -0.04 3.26 2.59 3i9v11 HIS 112 HB3 -1.05 0.04 -0.07 -0.04 3.20 2.07 3i9v11 HIS 112 HD2 0.08 0.12 -0.26 -0.04 6.97 6.86 3i9v11 HIS 112 HE1 0.10 0.07 -0.01 -0.04 7.75 7.88 3i9v11 LEU 113 H -0.22 0.21 -0.50 -0.55 8.37 7.31 3i9v11 LEU 113 HA -0.06 0.12 0.55 -0.75 4.35 4.20 3i9v11 LEU 113 HB2 0.21 0.03 0.10 -0.04 1.64 1.94 3i9v11 LEU 113 HB3 0.05 0.26 0.16 -0.04 1.64 2.07 3i9v11 LEU 113 HG 0.09 -0.07 -0.16 -0.04 1.64 1.45 3i9v11 LEU 113 HD13 0.15 0.03 0.08 -0.04 0.93 1.15 3i9v11 LEU 113 HD23 0.11 0.00 0.05 -0.04 0.89 1.01 3i9v11 LEU 114 H -0.02 0.30 -0.14 -0.55 8.37 7.96 3i9v11 LEU 114 HA 0.07 -0.01 0.29 -0.75 4.35 3.95 3i9v11 LEU 114 HB2 0.04 0.01 0.08 -0.04 1.64 1.72 3i9v11 LEU 114 HB3 0.02 0.19 0.11 -0.04 1.64 1.92 3i9v11 LEU 114 HG 0.08 -0.08 -0.04 -0.04 1.64 1.56 3i9v11 LEU 114 HD13 0.07 -0.01 -0.11 -0.04 0.93 0.84 3i9v11 LEU 114 HD23 0.11 -0.01 -0.20 -0.04 0.89 0.75 3i9v11 ILE 115 H -0.01 0.46 -0.14 -0.55 8.25 8.01 3i9v11 ILE 115 HA 0.15 0.01 0.29 -0.75 4.18 3.88 3i9v11 ILE 115 HB 0.13 0.03 0.09 -0.04 1.89 2.09 3i9v11 ILE 115 HG12 0.07 -0.01 -0.09 -0.04 1.49 1.41 3i9v11 ILE 115 HG13 -0.02 0.12 -0.08 -0.04 1.21 1.19 3i9v11 ILE 115 HG23 0.35 0.01 -0.22 -0.04 0.93 1.03 3i9v11 ILE 115 HD13 -0.09 -0.02 -0.23 -0.04 0.88 0.50 3i9v11 GLU 116 H -0.06 0.63 -0.14 -0.55 8.60 8.49 3i9v11 GLU 116 HA 0.24 0.03 0.39 -0.75 4.29 4.19 3i9v11 GLU 116 HB2 -0.45 0.05 0.11 -0.04 2.09 1.75 3i9v11 GLU 116 HB3 -0.03 0.11 0.11 -0.04 1.99 2.14 3i9v11 GLU 116 HG2 0.07 0.02 -0.15 -0.04 2.34 2.23 3i9v11 GLU 116 HG3 0.16 -0.04 0.04 -0.04 2.34 2.45 3i9v11 GLY 117 H 0.06 0.57 -0.32 -0.55 8.43 8.19 3i9v11 GLY 117 HA2 0.09 -0.00 0.25 -0.51 4.01 3.84 3i9v11 GLY 117 HA3 0.10 0.10 0.16 -0.51 4.01 3.87 3i9v11 MET 118 H 0.11 0.42 -0.43 -0.55 8.47 8.02 3i9v11 MET 118 HA 0.05 0.02 0.61 -0.75 4.52 4.45 3i9v11 MET 118 HB2 0.25 0.13 0.02 -0.04 2.15 2.50 3i9v11 MET 118 HB3 0.26 -0.05 -0.09 -0.04 2.03 2.12 3i9v11 MET 118 HG2 0.15 -0.09 -0.14 -0.04 2.63 2.51 3i9v11 MET 118 HG3 0.14 0.42 -0.06 -0.04 2.56 3.01 3i9v11 MET 118 HE3 0.23 0.00 -0.17 -0.04 2.10 2.12 3i9v11 ILE 119 H 0.06 0.57 -0.01 -0.55 8.25 8.32 3i9v11 ILE 119 HA -0.71 0.04 0.41 -0.75 4.18 3.17 3i9v11 ILE 119 HB 0.13 0.11 0.10 -0.04 1.89 2.19 3i9v11 ILE 119 HG12 0.31 0.02 -0.01 -0.04 1.49 1.77 3i9v11 ILE 119 HG13 0.25 0.19 0.03 -0.04 1.21 1.65 3i9v11 ILE 119 HG23 0.18 0.00 -0.18 -0.04 0.93 0.89 3i9v11 ILE 119 HD13 0.46 -0.04 -0.04 -0.04 0.88 1.22 3i9v11 LEU 120 H 0.01 0.45 -0.29 -0.55 8.37 7.98 3i9v11 LEU 120 HA 0.00 0.09 0.36 -0.75 4.35 4.04 3i9v11 LEU 120 HB2 0.07 0.10 0.01 -0.04 1.64 1.79 3i9v11 LEU 120 HB3 0.09 0.01 -0.08 -0.04 1.64 1.61 3i9v11 LEU 120 HG 0.06 0.07 -0.06 -0.04 1.64 1.67 3i9v11 LEU 120 HD13 0.07 -0.02 -0.19 -0.04 0.93 0.76 3i9v11 LEU 120 HD23 0.04 0.00 -0.12 -0.04 0.89 0.77 3i9v11 ALA 121 H -0.09 0.26 -0.31 -0.55 8.40 7.72 3i9v11 ALA 121 HA -0.84 0.03 0.30 -0.75 4.34 3.08 3i9v11 ALA 121 HB3 -0.15 0.00 0.08 -0.04 1.41 1.30 3i9v11 GLY 122 H -0.30 0.83 -0.05 -0.55 8.43 8.36 3i9v11 GLY 122 HA2 -0.07 -0.07 0.38 -0.51 4.01 3.73 3i9v11 GLY 122 HA3 -0.13 0.18 0.25 -0.51 4.01 3.80 3i9v11 TYR 123 H -0.19 0.47 -0.37 -0.55 8.29 7.64 3i9v11 TYR 123 HA -0.83 -0.01 0.31 -0.75 4.56 3.28 3i9v11 TYR 123 HB2 -0.71 0.07 0.07 -0.04 3.06 2.44 3i9v11 TYR 123 HB3 -0.34 0.13 0.10 -0.04 2.98 2.84 3i9v11 TYR 123 HD2 -0.80 -0.04 -0.08 -0.04 7.15 6.19 3i9v11 TYR 123 HE2 -0.15 0.15 -0.13 -0.04 6.85 6.67 3i9v11 ALA 124 H -0.30 0.46 -0.23 -0.55 8.40 7.78 3i9v11 ALA 124 HA -0.34 -0.02 0.43 -0.75 4.34 3.65 3i9v11 ALA 124 HB3 -0.26 0.00 0.01 -0.04 1.41 1.12 3i9v11 ILE 125 H -0.32 0.35 -0.23 -0.55 8.25 7.50 3i9v11 ILE 125 HA -0.09 0.21 0.66 -0.75 4.18 4.21 3i9v11 ILE 125 HB -0.08 0.01 0.11 -0.04 1.89 1.88 3i9v11 ILE 125 HG12 -0.23 0.16 0.05 -0.04 1.49 1.43 3i9v11 ILE 125 HG13 -0.00 -0.04 -0.29 -0.04 1.21 0.84 3i9v11 ILE 125 HG23 -0.48 0.01 -0.04 -0.04 0.93 0.38 3i9v11 ILE 125 HD13 -0.12 -0.04 -0.10 -0.04 0.88 0.57 3i9v11 ARG 126 H -0.09 0.33 -0.32 -0.55 8.46 7.82 3i9v11 ARG 126 HA 0.12 0.01 0.26 -0.75 4.34 3.98 3i9v11 ARG 126 HB2 0.20 0.31 -0.05 -0.04 1.90 2.33 3i9v11 ARG 126 HB3 0.00 -0.13 0.27 -0.04 1.80 1.90 3i9v11 ARG 126 HG2 0.02 -0.06 0.04 -0.04 1.67 1.62 3i9v11 ARG 126 HG3 -0.01 -0.02 0.03 -0.04 1.67 1.62 3i9v11 ARG 126 HD2 -0.12 0.13 -0.16 -0.04 3.22 3.02 3i9v11 ARG 126 HD3 0.02 0.07 -0.39 -0.04 3.22 2.87 3i9v11 ALA 127 H 0.12 0.32 -0.23 -0.55 8.40 8.06 3i9v11 ALA 127 HA 0.12 0.10 0.76 -0.75 4.34 4.56 3i9v11 ALA 127 HB3 0.16 -0.01 -0.19 -0.04 1.41 1.33 3i9v11 THR 128 H 0.00 0.18 0.23 -0.55 8.28 8.14 3i9v11 THR 128 HA -0.00 0.23 0.63 -0.75 4.39 4.50 3i9v11 THR 128 HB -0.17 0.09 0.16 -0.04 4.32 4.36 3i9v11 THR 128 HG23 -0.06 0.00 0.10 -0.04 1.22 1.23 3i9v11 VAL 129 H -0.01 0.27 0.03 -0.55 8.24 7.98 3i9v11 VAL 129 HA -0.30 0.15 1.04 -0.75 4.13 4.27 3i9v11 VAL 129 HB -0.01 0.03 0.08 -0.04 2.12 2.18 3i9v11 VAL 129 HG13 0.07 -0.01 -0.12 -0.04 0.97 0.88 3i9v11 VAL 129 HG23 -0.07 -0.01 -0.10 -0.04 0.95 0.73 3i9v11 GLY 130 H -0.45 0.73 0.41 -0.55 8.43 8.58 3i9v11 GLY 130 HA2 0.20 0.24 1.13 -0.51 4.01 5.07 3i9v11 GLY 130 HA3 0.06 -0.05 0.30 -0.51 4.01 3.81 3i9v11 TYR 131 H 0.28 0.58 0.46 -0.55 8.29 9.07 3i9v11 TYR 131 HA 0.14 0.25 1.14 -0.75 4.56 5.33 3i9v11 TYR 131 HB2 0.10 -0.04 0.06 -0.04 3.06 3.14 3i9v11 TYR 131 HB3 0.12 -0.02 -0.05 -0.04 2.98 2.98 3i9v11 TYR 131 HD2 0.18 0.01 -0.15 -0.04 7.15 7.15 3i9v11 TYR 131 HE2 0.24 0.02 -0.14 -0.04 6.85 6.93 3i9v11 ILE 132 H 0.25 0.65 0.32 -0.55 8.25 8.91 3i9v11 ILE 132 HA 0.19 0.28 1.12 -0.75 4.18 5.02 3i9v11 ILE 132 HB 0.11 -0.04 0.13 -0.04 1.89 2.05 3i9v11 ILE 132 HG12 0.13 0.01 -0.13 -0.04 1.49 1.46 3i9v11 ILE 132 HG13 0.11 0.01 -0.39 -0.04 1.21 0.90 3i9v11 ILE 132 HG23 0.11 -0.04 -0.23 -0.04 0.93 0.73 3i9v11 ILE 132 HD13 0.07 -0.01 -0.15 -0.04 0.88 0.76 3i9v11 TYR 133 H 0.26 0.45 0.11 -0.55 8.29 8.57 3i9v11 TYR 133 HA 0.14 0.44 0.77 -0.75 4.56 5.16 3i9v11 TYR 133 HB2 0.06 0.03 0.04 -0.04 3.06 3.14 3i9v11 TYR 133 HB3 0.05 -0.12 0.20 -0.04 2.98 3.07 3i9v11 TYR 133 HD2 0.03 -0.09 -0.26 -0.04 7.15 6.78 3i9v11 TYR 133 HE2 0.05 -0.10 -0.16 -0.04 6.85 6.60 3i9v11 VAL 134 H -0.00 0.29 0.01 -0.55 8.24 7.99 3i9v11 VAL 134 HA 0.11 0.23 0.47 -0.75 4.13 4.19 3i9v11 VAL 134 HB 0.10 -0.03 0.10 -0.04 2.12 2.25 3i9v11 VAL 134 HG13 0.07 0.01 -0.15 -0.04 0.97 0.86 3i9v11 VAL 134 HG23 0.00 0.06 -0.26 -0.04 0.95 0.71 3i9v11 ARG 135 H -0.08 0.25 0.29 -0.55 8.46 8.36 3i9v11 ARG 135 HA -0.01 0.09 0.59 -0.75 4.34 4.26 3i9v11 ARG 135 HB2 -0.16 -0.02 0.02 -0.04 1.90 1.70 3i9v11 ARG 135 HB3 -0.12 0.05 0.05 -0.04 1.80 1.75 3i9v11 ARG 135 HG2 -0.63 0.06 0.25 -0.04 1.67 1.31 3i9v11 ARG 135 HG3 -0.90 -0.20 0.13 -0.04 1.67 0.66 3i9v11 ARG 135 HD2 -0.33 -0.05 -0.20 -0.04 3.22 2.60 3i9v11 ARG 135 HD3 -1.27 0.10 0.05 -0.04 3.22 2.06 3i9v11 GLY 136 H -0.05 0.07 0.05 -0.55 8.43 7.95 3i9v11 GLY 136 HA2 -0.05 0.17 0.41 -0.51 4.01 4.02 3i9v11 GLY 136 HA3 -0.06 0.30 0.19 -0.51 4.01 3.93 3i9v11 GLU 137 H -0.05 -0.14 -1.03 -0.55 8.60 6.84 3i9v11 GLU 137 HA 0.02 0.29 0.80 -0.75 4.29 4.65 3i9v11 GLU 137 HB2 -0.05 -0.11 -0.06 -0.04 2.09 1.83 3i9v11 GLU 137 HB3 0.06 0.04 -0.07 -0.04 1.99 1.98 3i9v11 GLU 137 HG2 0.01 0.05 -0.07 -0.04 2.34 2.29 3i9v11 GLU 137 HG3 0.01 0.14 -0.07 -0.04 2.34 2.38 3i9v11 TYR 138 H 0.06 0.02 -0.03 -0.55 8.29 7.80 3i9v11 TYR 138 HA -0.05 0.05 0.59 -0.75 4.56 4.40 3i9v11 TYR 138 HB2 -0.02 0.18 0.27 -0.04 3.06 3.45 3i9v11 TYR 138 HB3 -0.05 -0.12 0.10 -0.04 2.98 2.87 3i9v11 TYR 138 HD2 -0.02 0.02 -0.04 -0.04 7.15 7.06 3i9v11 TYR 138 HE2 0.00 -0.01 0.00 -0.04 6.85 6.81 3i9v11 ARG 139 H 0.03 0.28 0.22 -0.55 8.46 8.44 3i9v11 ARG 139 HA -0.00 0.17 0.39 -0.75 4.34 4.15 3i9v11 ARG 139 HB2 -0.01 0.15 0.02 -0.04 1.90 2.02 3i9v11 ARG 139 HB3 -0.03 -0.06 0.17 -0.04 1.80 1.84 3i9v11 ARG 139 HG2 -0.02 0.06 -0.03 -0.04 1.67 1.64 3i9v11 ARG 139 HG3 -0.04 -0.03 -0.24 -0.04 1.67 1.32 3i9v11 ARG 139 HD2 -0.03 -0.07 -0.04 -0.04 3.22 3.03 3i9v11 ARG 139 HD3 -0.02 0.02 -0.00 -0.04 3.22 3.18 3i9v11 ARG 140 H -0.08 0.13 0.10 -0.55 8.46 8.06 3i9v11 ARG 140 HA -0.12 0.15 0.42 -0.75 4.34 4.03 3i9v11 ARG 140 HB2 -0.13 0.07 0.11 -0.04 1.90 1.92 3i9v11 ARG 140 HB3 -0.17 -0.07 0.10 -0.04 1.80 1.62 3i9v11 ARG 140 HG2 -0.24 -0.00 -0.17 -0.04 1.67 1.22 3i9v11 ARG 140 HG3 -0.24 0.02 0.02 -0.04 1.67 1.43 3i9v11 ARG 140 HD2 -0.15 -0.00 -0.01 -0.04 3.22 3.02 3i9v11 ARG 140 HD3 -0.26 0.05 -0.02 -0.04 3.22 2.95 3i9v11 ALA 141 H -0.14 0.03 -0.24 -0.55 8.40 7.51 3i9v11 ALA 141 HA -0.12 0.12 0.22 -0.75 4.34 3.80 3i9v11 ALA 141 HB3 -0.06 0.02 -0.02 -0.04 1.41 1.32 3i9v11 ALA 142 H -0.01 0.29 -0.49 -0.55 8.40 7.64 3i9v11 ALA 142 HA -0.00 -0.01 0.36 -0.75 4.34 3.93 3i9v11 ALA 142 HB3 -0.01 0.08 0.10 -0.04 1.41 1.54 3i9v11 ASP 143 H -0.07 0.38 -0.26 -0.55 8.40 7.91 3i9v11 ASP 143 HA -0.04 0.04 0.41 -0.75 4.63 4.29 3i9v11 ASP 143 HB2 -0.10 0.05 0.15 -0.04 2.71 2.77 3i9v11 ASP 143 HB3 -0.07 -0.03 0.07 -0.04 2.70 2.63 3i9v11 ARG 144 H -0.11 0.41 -0.26 -0.55 8.46 7.94 3i9v11 ARG 144 HA -0.14 0.05 0.55 -0.75 4.34 4.05 3i9v11 ARG 144 HB2 -0.17 0.06 0.14 -0.04 1.90 1.89 3i9v11 ARG 144 HB3 -0.20 0.01 0.11 -0.04 1.80 1.67 3i9v11 ARG 144 HG2 -0.32 -0.09 -0.02 -0.04 1.67 1.19 3i9v11 ARG 144 HG3 -0.37 -0.08 0.02 -0.04 1.67 1.19 3i9v11 ARG 144 HD2 -0.80 0.01 0.08 -0.04 3.22 2.46 3i9v11 ARG 144 HD3 -0.91 -0.08 0.01 -0.04 3.22 2.20 3i9v11 LEU 145 H -0.06 0.46 -0.14 -0.55 8.37 8.09 3i9v11 LEU 145 HA -0.06 0.03 0.58 -0.75 4.35 4.14 3i9v11 LEU 145 HB2 -0.01 0.19 0.17 -0.04 1.64 1.94 3i9v11 LEU 145 HB3 -0.00 -0.01 -0.08 -0.04 1.64 1.51 3i9v11 LEU 145 HG 0.00 0.02 0.00 -0.04 1.64 1.62 3i9v11 LEU 145 HD13 0.04 -0.02 -0.08 -0.04 0.93 0.83 3i9v11 LEU 145 HD23 -0.01 -0.01 -0.01 -0.04 0.89 0.81 3i9v11 GLU 146 H -0.02 0.52 -0.06 -0.55 8.60 8.49 3i9v11 GLU 146 HA 0.00 0.02 0.39 -0.75 4.29 3.95 3i9v11 GLU 146 HB2 -0.00 0.08 0.14 -0.04 2.09 2.27 3i9v11 GLU 146 HB3 -0.01 0.04 0.09 -0.04 1.99 2.07 3i9v11 GLU 146 HG2 0.01 0.02 -0.00 -0.04 2.34 2.32 3i9v11 GLU 146 HG3 0.01 -0.01 -0.02 -0.04 2.34 2.29 3i9v11 GLN 147 H -0.02 0.46 -0.22 -0.55 8.47 8.14 3i9v11 GLN 147 HA 0.03 0.01 0.46 -0.75 4.36 4.11 3i9v11 GLN 147 HB2 -0.02 0.19 0.27 -0.04 2.15 2.55 3i9v11 GLN 147 HB3 0.07 0.00 0.04 -0.04 2.02 2.09 3i9v11 GLN 147 HG2 0.02 0.01 0.09 -0.04 2.40 2.47 3i9v11 GLN 147 HG3 0.02 -0.02 0.04 -0.04 2.39 2.40 3i9v11 GLN 147 HE21 0.08 -0.02 0.02 -0.04 6.97 7.01 3i9v11 GLN 147 HE22 0.06 0.02 0.02 -0.04 7.69 7.74 3i9v11 ALA 148 H -0.02 0.59 -0.12 -0.55 8.40 8.29 3i9v11 ALA 148 HA 0.08 -0.06 0.42 -0.75 4.34 4.03 3i9v11 ALA 148 HB3 -0.48 0.02 0.10 -0.04 1.41 1.01 3i9v11 ILE 149 H -0.03 0.85 -0.05 -0.55 8.25 8.46 3i9v11 ILE 149 HA 0.02 -0.05 0.36 -0.75 4.18 3.76 3i9v11 ILE 149 HB 0.00 0.11 0.10 -0.04 1.89 2.06 3i9v11 ILE 149 HG12 -0.01 -0.09 -0.03 -0.04 1.49 1.32 3i9v11 ILE 149 HG13 -0.01 0.27 -0.05 -0.04 1.21 1.38 3i9v11 ILE 149 HG23 -0.03 -0.01 -0.08 -0.04 0.93 0.77 3i9v11 ILE 149 HD13 -0.01 -0.03 -0.23 -0.04 0.88 0.57 3i9v11 LYS 150 H 0.03 0.48 -0.45 -0.55 8.42 7.93 3i9v11 LYS 150 HA 0.03 0.04 0.58 -0.75 4.32 4.22 3i9v11 LYS 150 HB2 0.05 0.22 0.25 -0.04 1.87 2.34 3i9v11 LYS 150 HB3 0.04 -0.08 0.04 -0.04 1.79 1.74 3i9v11 LYS 150 HG2 0.02 -0.05 0.03 -0.04 1.46 1.41 3i9v11 LYS 150 HG3 0.02 0.27 0.07 -0.04 1.46 1.79 3i9v11 LYS 150 HD2 0.02 -0.02 -0.01 -0.04 1.69 1.64 3i9v11 LYS 150 HD3 0.02 -0.03 0.01 -0.04 1.68 1.64 3i9v11 LYS 150 HE2 0.01 -0.02 -0.01 -0.04 2.99 2.94 3i9v11 LYS 150 HE3 0.02 0.00 -0.00 -0.04 2.99 2.97 3i9v11 GLU 151 H 0.11 0.49 0.15 -0.55 8.60 8.81 3i9v11 GLU 151 HA 0.09 0.03 0.47 -0.75 4.29 4.13 3i9v11 GLU 151 HB2 0.28 0.07 0.17 -0.04 2.09 2.58 3i9v11 GLU 151 HB3 0.15 -0.08 0.09 -0.04 1.99 2.11 3i9v11 GLU 151 HG2 0.12 -0.00 0.08 -0.04 2.34 2.49 3i9v11 GLU 151 HG3 0.14 0.20 0.08 -0.04 2.34 2.72 3i9v11 ALA 152 H 0.20 0.68 -0.18 -0.55 8.40 8.55 3i9v11 ALA 152 HA 0.17 -0.01 0.38 -0.75 4.34 4.13 3i9v11 ALA 152 HB3 0.18 0.03 -0.05 -0.04 1.41 1.52 3i9v11 ARG 153 H 0.05 0.37 -0.28 -0.55 8.46 8.06 3i9v11 ARG 153 HA -0.03 0.05 0.42 -0.75 4.34 4.03 3i9v11 ARG 153 HB2 0.00 0.26 0.29 -0.04 1.90 2.41 3i9v11 ARG 153 HB3 -0.01 -0.00 0.05 -0.04 1.80 1.79 3i9v11 ARG 153 HG2 -0.05 0.03 0.00 -0.04 1.67 1.62 3i9v11 ARG 153 HG3 -0.05 -0.09 -0.01 -0.04 1.67 1.49 3i9v11 ARG 153 HD2 -0.02 -0.01 0.01 -0.04 3.22 3.17 3i9v11 ARG 153 HD3 -0.05 -0.04 -0.01 -0.04 3.22 3.09 3i9v11 ALA 154 H 0.03 0.53 -0.10 -0.55 8.40 8.31 3i9v11 ALA 154 HA -0.01 0.02 0.49 -0.75 4.34 4.09 3i9v11 ALA 154 HB3 0.03 0.02 0.16 -0.04 1.41 1.57 3i9v11 ARG 155 H 0.04 0.45 -0.04 -0.55 8.46 8.37 3i9v11 ARG 155 HA -0.06 0.08 0.25 -0.75 4.34 3.85 3i9v11 ARG 155 HB2 0.16 -0.03 0.06 -0.04 1.90 2.04 3i9v11 ARG 155 HB3 0.03 -0.02 0.15 -0.04 1.80 1.91 3i9v11 ARG 155 HG2 0.07 0.04 0.19 -0.04 1.67 1.93 3i9v11 ARG 155 HG3 0.16 -0.05 0.05 -0.04 1.67 1.79 3i9v11 ARG 155 HD2 0.07 0.01 0.02 -0.04 3.22 3.28 3i9v11 ARG 155 HD3 0.04 -0.00 -0.01 -0.04 3.22 3.21 3i9v11 GLY 156 H -0.12 0.30 -0.63 -0.55 8.43 7.44 3i9v11 GLY 156 HA2 -0.19 0.09 0.27 -0.51 4.01 3.68 3i9v11 GLY 156 HA3 -0.30 0.08 0.48 -0.51 4.01 3.76 3i9v11 TYR 157 H -0.18 0.39 -0.08 -0.55 8.29 7.87 3i9v11 TYR 157 HA -0.38 0.09 0.55 -0.75 4.56 4.06 3i9v11 TYR 157 HB2 -0.32 -0.03 0.08 -0.04 3.06 2.76 3i9v11 TYR 157 HB3 -0.72 -0.06 0.05 -0.04 2.98 2.21 3i9v11 TYR 157 HD2 -0.18 0.01 -0.01 -0.04 7.15 6.94 3i9v11 TYR 157 HE2 0.11 -0.01 -0.03 -0.04 6.85 6.89 3i9v11 LEU 158 H -0.08 0.25 -0.26 -0.55 8.37 7.74 3i9v11 LEU 158 HA 0.00 0.25 0.79 -0.75 4.35 4.65 3i9v11 LEU 158 HB2 -0.01 -0.10 -0.23 -0.04 1.64 1.26 3i9v11 LEU 158 HB3 -0.06 -0.00 0.03 -0.04 1.64 1.57 3i9v11 LEU 158 HG 0.10 -0.07 -0.40 -0.04 1.64 1.23 3i9v11 LEU 158 HD13 0.01 -0.02 0.01 -0.04 0.93 0.89 3i9v11 LEU 158 HD23 0.15 0.05 0.08 -0.04 0.89 1.13 3i9v11 GLY 159 H -0.07 0.60 0.20 -0.55 8.43 8.62 3i9v11 GLY 159 HA2 -0.13 0.01 0.13 -0.51 4.01 3.51 3i9v11 GLY 159 HA3 -0.10 0.05 0.52 -0.51 4.01 3.98 3i9v11 LYS 160 H -0.09 0.15 0.15 -0.55 8.42 8.08 3i9v11 LYS 160 HA -0.08 -0.00 0.28 -0.75 4.32 3.76 3i9v11 LYS 160 HB2 -0.06 0.04 0.01 -0.04 1.87 1.81 3i9v11 LYS 160 HB3 -0.07 -0.01 0.14 -0.04 1.79 1.81 3i9v11 LYS 160 HG2 -0.10 0.09 0.02 -0.04 1.46 1.43 3i9v11 LYS 160 HG3 -0.10 -0.46 0.01 -0.04 1.46 0.87 3i9v11 LYS 160 HD2 -0.06 0.02 0.01 -0.04 1.69 1.61 3i9v11 LYS 160 HD3 -0.06 -0.01 0.03 -0.04 1.68 1.60 3i9v11 LYS 160 HE2 -0.11 0.05 0.02 -0.04 2.99 2.91 3i9v11 LYS 160 HE3 -0.11 0.03 -0.01 -0.04 2.99 2.87 3i9v11 ASN 161 H -0.10 0.08 -0.09 -0.55 8.53 7.87 3i9v11 ASN 161 HA -0.06 0.29 0.67 -0.75 4.76 4.91 3i9v11 ASN 161 HB2 -0.04 -0.13 -0.29 -0.04 2.88 2.37 3i9v11 ASN 161 HB3 -0.03 -0.08 0.04 -0.04 2.79 2.68 3i9v11 ASN 161 HD21 -0.01 -0.04 -0.09 -0.04 7.03 6.84 3i9v11 ASN 161 HD22 -0.03 -0.02 -0.12 -0.04 7.74 7.53 3i9v11 LEU 162 H -0.05 0.64 0.27 -0.55 8.37 8.68 3i9v11 LEU 162 HA -0.31 -0.01 0.11 -0.75 4.35 3.38 3i9v11 LEU 162 HB2 0.06 0.08 0.08 -0.04 1.64 1.83 3i9v11 LEU 162 HB3 -0.48 -0.03 -0.06 -0.04 1.64 1.03 3i9v11 LEU 162 HG -0.09 0.05 -0.03 -0.04 1.64 1.53 3i9v11 LEU 162 HD13 0.15 -0.01 -0.08 -0.04 0.93 0.95 3i9v11 LEU 162 HD23 -0.30 -0.04 -0.37 -0.04 0.89 0.14 3i9v11 PHE 163 H -0.38 0.19 0.18 -0.55 8.34 7.78 3i9v11 PHE 163 HA -0.03 0.00 0.37 -0.75 4.62 4.20 3i9v11 PHE 163 HB2 -0.00 0.19 -0.10 -0.04 3.15 3.19 3i9v11 PHE 163 HB3 -0.00 -0.02 0.18 -0.04 3.06 3.18 3i9v11 PHE 163 HD2 0.01 0.06 -0.09 -0.04 7.28 7.22 3i9v11 PHE 163 HE2 0.17 -0.01 -0.14 -0.04 7.38 7.35 3i9v11 PHE 163 HZ 0.30 -0.08 -0.04 -0.04 7.32 7.46 3i9v11 GLY 164 H 0.01 0.34 -0.40 -0.55 8.43 7.83 3i9v11 GLY 164 HA2 0.02 -0.03 0.29 -0.51 4.01 3.77 3i9v11 GLY 164 HA3 0.05 0.09 0.71 -0.51 4.01 4.35 3i9v11 THR 165 H 0.11 0.30 -0.46 -0.55 8.28 7.68 3i9v11 THR 165 HA 0.06 0.03 0.50 -0.75 4.39 4.22 3i9v11 THR 165 HB 0.08 -0.00 -0.04 -0.04 4.32 4.31 3i9v11 THR 165 HG23 0.13 0.12 -0.03 -0.04 1.22 1.39 3i9v11 ASP 166 H 0.07 0.12 0.11 -0.55 8.40 8.16 3i9v11 ASP 166 HA 0.05 0.09 0.25 -0.75 4.63 4.27 3i9v11 ASP 166 HB2 0.05 -0.01 0.21 -0.04 2.71 2.92 3i9v11 ASP 166 HB3 0.04 -0.01 0.13 -0.04 2.70 2.82 3i9v11 PHE 167 H 0.18 0.53 -0.56 -0.55 8.34 7.94 3i9v11 PHE 167 HA 0.06 0.12 0.83 -0.75 4.62 4.88 3i9v11 PHE 167 HB2 0.10 0.01 -0.07 -0.04 3.15 3.14 3i9v11 PHE 167 HB3 -0.00 0.00 -0.02 -0.04 3.06 3.00 3i9v11 PHE 167 HD2 0.08 -0.03 -0.10 -0.04 7.28 7.19 3i9v11 PHE 167 HE2 0.01 -0.05 -0.21 -0.04 7.38 7.09 3i9v11 PHE 167 HZ -0.01 0.02 -0.31 -0.04 7.32 6.97 3i9v11 SER 168 H -0.60 0.24 0.16 -0.55 8.46 7.72 3i9v11 SER 168 HA -0.21 0.16 0.82 -0.75 4.49 4.50 3i9v11 SER 168 HB2 -0.20 -0.11 -0.02 -0.04 3.95 3.57 3i9v11 SER 168 HB3 -0.15 0.10 -0.08 -0.04 3.93 3.76 3i9v11 PHE 169 H -0.12 0.27 0.17 -0.55 8.34 8.11 3i9v11 PHE 169 HA -0.27 0.57 1.00 -0.75 4.62 5.16 3i9v11 PHE 169 HB2 -0.39 0.11 -0.30 -0.04 3.15 2.54 3i9v11 PHE 169 HB3 -0.02 -0.08 -0.01 -0.04 3.06 2.91 3i9v11 PHE 169 HD2 0.05 0.09 -0.14 -0.04 7.28 7.24 3i9v11 PHE 169 HE2 0.07 -0.04 -0.33 -0.04 7.38 7.03 3i9v11 PHE 169 HZ 0.06 -0.12 -0.27 -0.04 7.32 6.95 3i9v11 ASP 170 H -0.65 0.56 0.37 -0.55 8.40 8.12 3i9v11 ASP 170 HA -0.39 0.10 1.02 -0.75 4.63 4.61 3i9v11 ASP 170 HB2 -0.26 -0.03 -0.10 -0.04 2.71 2.28 3i9v11 ASP 170 HB3 -0.40 0.01 0.02 -0.04 2.70 2.29 3i9v11 LEU 171 H -0.36 0.15 0.19 -0.55 8.37 7.80 3i9v11 LEU 171 HA -0.43 0.35 0.97 -0.75 4.35 4.48 3i9v11 LEU 171 HB2 -0.13 -0.02 0.05 -0.04 1.64 1.50 3i9v11 LEU 171 HB3 -0.09 -0.04 -0.21 -0.04 1.64 1.26 3i9v11 LEU 171 HG 0.01 -0.03 -0.19 -0.04 1.64 1.39 3i9v11 LEU 171 HD13 -0.07 0.04 -0.27 -0.04 0.93 0.59 3i9v11 LEU 171 HD23 0.10 -0.01 -0.13 -0.04 0.89 0.81 3i9v11 HIS 172 H -0.18 0.45 0.32 -0.55 8.41 8.44 3i9v11 HIS 172 HA -0.04 0.10 0.81 -0.75 4.63 4.75 3i9v11 HIS 172 HB2 -0.44 0.00 0.11 -0.04 3.26 2.89 3i9v11 HIS 172 HB3 0.06 0.06 0.00 -0.04 3.20 3.28 3i9v11 HIS 172 HD2 -0.50 0.01 -0.13 -0.04 6.97 6.30 3i9v11 HIS 172 HE1 -0.07 -0.02 -0.06 -0.04 7.75 7.55 3i9v11 VAL 173 H 0.12 0.15 0.14 -0.55 8.24 8.10 3i9v11 VAL 173 HA 0.13 0.12 0.94 -0.75 4.13 4.56 3i9v11 VAL 173 HB 0.05 0.02 0.10 -0.04 2.12 2.25 3i9v11 VAL 173 HG13 0.02 0.00 -0.04 -0.04 0.97 0.91 3i9v11 VAL 173 HG23 0.04 -0.01 -0.09 -0.04 0.95 0.85 3i9v11 HIS 174 H 0.12 0.59 0.24 -0.55 8.41 8.81 3i9v11 HIS 174 HA -0.02 0.13 0.71 -0.75 4.63 4.69 3i9v11 HIS 174 HB2 0.10 0.05 -0.16 -0.04 3.26 3.21 3i9v11 HIS 174 HB3 -0.01 -0.10 0.01 -0.04 3.20 3.06 3i9v11 HIS 174 HD2 -0.58 -0.15 -0.15 -0.04 6.97 6.05 3i9v11 HIS 174 HE1 -0.01 0.03 0.04 -0.04 7.75 7.76 3i9v11 ARG 175 H -0.26 0.13 0.07 -0.55 8.46 7.84 3i9v11 ARG 175 HA -0.24 0.07 0.46 -0.75 4.34 3.87 3i9v11 ARG 175 HB2 -0.19 0.09 0.03 -0.04 1.90 1.80 3i9v11 ARG 175 HB3 -0.13 -0.07 0.04 -0.04 1.80 1.59 3i9v11 ARG 175 HG2 -0.07 -0.06 -0.04 -0.04 1.67 1.46 3i9v11 ARG 175 HG3 -0.10 -0.01 0.02 -0.04 1.67 1.54 3i9v11 ARG 175 HD2 -0.05 -0.02 -0.03 -0.04 3.22 3.08 3i9v11 ARG 175 HD3 -0.07 0.05 -0.01 -0.04 3.22 3.15 3i9v11 GLY 176 H -0.20 -0.00 0.11 -0.55 8.43 7.79 3i9v11 GLY 176 HA2 -0.28 0.29 0.58 -0.51 4.01 4.09 3i9v11 GLY 176 HA3 -0.08 -0.17 0.40 -0.51 4.01 3.65 3i9v11 ALA 177 H 0.03 -0.02 0.14 -0.55 8.40 8.00 3i9v11 ALA 177 HA -0.03 0.21 0.73 -0.75 4.34 4.50 3i9v11 ALA 177 HB3 -0.01 0.06 -0.04 -0.04 1.41 1.37 3i9v11 GLY 178 H 0.03 -0.18 0.09 -0.55 8.43 7.82 3i9v11 GLY 178 HA2 0.03 -0.07 0.25 -0.51 4.01 3.71 3i9v11 GLY 178 HA3 0.02 0.29 0.65 -0.51 4.01 4.47 3i9v11 ALA 179 H 0.06 0.04 0.01 -0.55 8.40 7.96 3i9v11 ALA 179 HA 0.03 0.21 0.58 -0.75 4.34 4.41 3i9v11 ALA 179 HB3 0.01 0.07 -0.04 -0.04 1.41 1.40 3i9v11 TYR 180 H 0.14 0.32 0.08 -0.55 8.29 8.28 3i9v11 TYR 180 HA 0.04 0.01 0.33 -0.75 4.56 4.19 3i9v11 TYR 180 HB2 0.06 0.11 0.07 -0.04 3.06 3.27 3i9v11 TYR 180 HB3 -0.05 0.07 0.11 -0.04 2.98 3.06 3i9v11 TYR 180 HD2 0.12 -0.02 -0.21 -0.04 7.15 7.00 3i9v11 TYR 180 HE2 0.23 -0.05 -0.07 -0.04 6.85 6.92 3i9v11 ILE 181 H 0.05 0.24 -0.21 -0.55 8.25 7.77 3i9v11 ILE 181 HA -0.19 -0.02 0.32 -0.75 4.18 3.53 3i9v11 ILE 181 HB 0.01 0.03 0.13 -0.04 1.89 2.02 3i9v11 ILE 181 HG12 -0.03 0.11 0.08 -0.04 1.49 1.62 3i9v11 ILE 181 HG13 -0.06 0.06 -0.23 -0.04 1.21 0.93 3i9v11 ILE 181 HG23 -0.01 0.02 0.01 -0.04 0.93 0.91 3i9v11 ILE 181 HD13 -0.04 -0.06 0.12 -0.04 0.88 0.86 3i9v11 CYS 182 H -0.06 0.38 -0.53 -0.55 8.50 7.75 3i9v11 CYS 182 HA -0.16 0.08 0.14 -0.75 4.58 3.88 3i9v11 CYS 182 HB2 -0.02 0.18 0.05 -0.04 2.97 3.14 3i9v11 CYS 182 HB3 -0.29 -0.02 0.05 -0.04 2.97 2.67 3i9v11 GLY 183 H -0.22 0.35 -0.70 -0.55 8.43 7.31 3i9v11 GLY 183 HA2 -0.14 0.08 0.57 -0.51 4.01 4.01 3i9v11 GLY 183 HA3 -0.18 0.01 0.30 -0.51 4.01 3.62 3i9v11 GLU 184 H -0.19 0.42 -0.04 -0.55 8.60 8.25 3i9v11 GLU 184 HA -0.09 0.02 0.45 -0.75 4.29 3.91 3i9v11 GLU 184 HB2 -0.12 0.09 0.22 -0.04 2.09 2.24 3i9v11 GLU 184 HB3 -0.09 -0.11 0.16 -0.04 1.99 1.91 3i9v11 GLU 184 HG2 -0.06 0.04 0.12 -0.04 2.34 2.40 3i9v11 GLU 184 HG3 -0.05 -0.03 0.10 -0.04 2.34 2.32 3i9v11 GLU 185 H -0.05 0.14 0.21 -0.55 8.60 8.35 3i9v11 GLU 185 HA -0.08 0.14 0.18 -0.75 4.29 3.77 3i9v11 GLU 185 HB2 -0.02 0.05 0.06 -0.04 2.09 2.13 3i9v11 GLU 185 HB3 -0.02 0.01 0.13 -0.04 1.99 2.07 3i9v11 GLU 185 HG2 -0.03 -0.05 0.12 -0.04 2.34 2.35 3i9v11 GLU 185 HG3 -0.04 -0.03 0.00 -0.04 2.34 2.23 3i9v11 THR 186 H -0.07 -0.01 -0.34 -0.55 8.28 7.31 3i9v11 THR 186 HA -0.09 0.23 0.67 -0.75 4.39 4.44 3i9v11 THR 186 HB -0.06 0.00 0.04 -0.04 4.32 4.26 3i9v11 THR 186 HG23 -0.04 0.05 0.02 -0.04 1.22 1.20 3i9v11 ALA 187 H -0.08 0.05 -0.10 -0.55 8.40 7.72 3i9v11 ALA 187 HA -0.07 0.38 0.34 -0.75 4.34 4.23 3i9v11 ALA 187 HB3 -0.07 0.05 -0.23 -0.04 1.41 1.11 3i9v11 LEU 188 H -0.17 0.43 -0.34 -0.55 8.37 7.74 3i9v11 LEU 188 HA -0.40 0.05 0.42 -0.75 4.35 3.66 3i9v11 LEU 188 HB2 -0.30 0.21 -0.16 -0.04 1.64 1.35 3i9v11 LEU 188 HB3 -0.21 0.05 -0.09 -0.04 1.64 1.35 3i9v11 LEU 188 HG -1.11 -0.01 0.02 -0.04 1.64 0.49 3i9v11 LEU 188 HD13 -0.18 -0.01 -0.01 -0.04 0.93 0.69 3i9v11 LEU 188 HD23 -0.15 -0.03 -0.31 -0.04 0.89 0.36 3i9v11 MET 189 H -0.17 0.21 -0.37 -0.55 8.47 7.58 3i9v11 MET 189 HA -0.29 0.03 0.32 -0.75 4.52 3.83 3i9v11 MET 189 HB2 -0.17 0.14 0.08 -0.04 2.15 2.16 3i9v11 MET 189 HB3 -0.27 -0.01 -0.11 -0.04 2.03 1.59 3i9v11 MET 189 HG2 -0.21 -0.05 -0.03 -0.04 2.63 2.31 3i9v11 MET 189 HG3 -0.14 0.24 0.11 -0.04 2.56 2.73 3i9v11 MET 189 HE3 -0.08 0.04 0.02 -0.04 2.10 2.04 3i9v11 ASN 190 H -0.15 0.28 -0.38 -0.55 8.53 7.74 3i9v11 ASN 190 HA -0.16 0.04 0.36 -0.75 4.76 4.25 3i9v11 ASN 190 HB2 -0.09 0.07 0.07 -0.04 2.88 2.89 3i9v11 ASN 190 HB3 -0.07 0.02 -0.25 -0.04 2.79 2.45 3i9v11 ASN 190 HD21 -0.05 -0.11 -0.09 -0.04 7.03 6.75 3i9v11 ASN 190 HD22 -0.05 0.48 0.06 -0.04 7.74 8.19 3i9v11 SER 191 H -0.10 0.52 -0.23 -0.55 8.46 8.11 3i9v11 SER 191 HA 0.02 0.19 0.27 -0.75 4.49 4.21 3i9v11 SER 191 HB2 -0.02 -0.04 0.10 -0.04 3.95 3.95 3i9v11 SER 191 HB3 -0.04 0.11 0.14 -0.04 3.93 4.10 3i9v11 LEU 192 H -0.07 0.61 -0.24 -0.55 8.37 8.12 3i9v11 LEU 192 HA -0.31 0.02 0.39 -0.75 4.35 3.70 3i9v11 LEU 192 HB2 -0.03 -0.03 0.04 -0.04 1.64 1.57 3i9v11 LEU 192 HB3 -0.36 0.07 0.10 -0.04 1.64 1.40 3i9v11 LEU 192 HG -0.78 -0.00 -0.05 -0.04 1.64 0.76 3i9v11 LEU 192 HD13 -0.31 -0.03 -0.11 -0.04 0.93 0.44 3i9v11 LEU 192 HD23 -0.82 0.00 -0.28 -0.04 0.89 -0.24 3i9v11 GLU 193 H -0.32 0.59 -0.15 -0.55 8.60 8.17 3i9v11 GLU 193 HA -0.20 -0.02 0.29 -0.75 4.29 3.60 3i9v11 GLU 193 HB2 -0.46 0.28 0.19 -0.04 2.09 2.07 3i9v11 GLU 193 HB3 -0.18 -0.03 0.05 -0.04 1.99 1.78 3i9v11 GLU 193 HG2 -0.07 0.00 0.09 -0.04 2.34 2.32 3i9v11 GLU 193 HG3 -1.06 -0.02 0.08 -0.04 2.34 1.30 3i9v11 GLY 194 H -0.03 0.36 -1.13 -0.55 8.43 7.07 3i9v11 GLY 194 HA2 0.05 0.01 0.28 -0.51 4.01 3.84 3i9v11 GLY 194 HA3 0.05 -0.00 0.50 -0.51 4.01 4.05 3i9v11 LEU 195 H -0.03 0.44 -0.27 -0.55 8.37 7.96 3i9v11 LEU 195 HA -0.01 0.15 0.76 -0.75 4.35 4.50 3i9v11 LEU 195 HB2 -0.05 -0.02 -0.18 -0.04 1.64 1.35 3i9v11 LEU 195 HB3 -0.03 -0.10 0.07 -0.04 1.64 1.54 3i9v11 LEU 195 HG -0.04 0.09 -0.25 -0.04 1.64 1.40 3i9v11 LEU 195 HD13 -0.05 -0.03 -0.04 -0.04 0.93 0.77 3i9v11 LEU 195 HD23 0.00 0.01 -0.13 -0.04 0.89 0.73 3i9v11 ARG 196 H -0.02 0.11 0.07 -0.55 8.46 8.07 3i9v11 ARG 196 HA -0.01 0.09 0.56 -0.75 4.34 4.23 3i9v11 ARG 196 HB2 -0.03 -0.03 0.09 -0.04 1.90 1.89 3i9v11 ARG 196 HB3 -0.03 0.02 -0.05 -0.04 1.80 1.71 3i9v11 ARG 196 HG2 -0.01 0.04 -0.01 -0.04 1.67 1.64 3i9v11 ARG 196 HG3 -0.02 -0.00 0.03 -0.04 1.67 1.64 3i9v11 ARG 196 HD2 -0.02 0.01 -0.00 -0.04 3.22 3.17 3i9v11 ARG 196 HD3 -0.03 -0.02 -0.00 -0.04 3.22 3.13 3i9v11 ALA 197 H -0.02 0.14 0.04 -0.55 8.40 8.02 3i9v11 ALA 197 HA -0.05 0.11 0.16 -0.75 4.34 3.81 3i9v11 ALA 197 HB3 -0.03 -0.01 0.07 -0.04 1.41 1.40 3i9v11 ASN 198 H -0.04 0.57 0.29 -0.55 8.53 8.80 3i9v11 ASN 198 HA -0.03 0.06 0.85 -0.75 4.76 4.89 3i9v11 ASN 198 HB2 -0.06 0.05 0.01 -0.04 2.88 2.84 3i9v11 ASN 198 HB3 -0.07 -0.01 0.07 -0.04 2.79 2.74 3i9v11 ASN 198 HD21 -0.06 0.01 -0.08 -0.04 7.03 6.86 3i9v11 ASN 198 HD22 -0.07 0.03 -0.02 -0.04 7.74 7.63 3i9v11 PRO 199 HA 0.00 -0.00 0.39 -0.51 4.44 4.33 3i9v11 PRO 199 HB2 0.10 0.20 -0.04 -0.04 2.28 2.50 3i9v11 PRO 199 HB3 0.01 -0.12 0.09 -0.04 2.02 1.96 3i9v11 PRO 199 HG2 0.32 0.05 0.04 -0.04 2.03 2.40 3i9v11 PRO 199 HG3 0.09 -0.08 0.07 -0.04 2.03 2.06 3i9v11 PRO 199 HD2 0.03 0.04 0.24 -0.04 3.68 3.95 3i9v11 PRO 199 HD3 0.01 0.15 0.09 -0.04 3.65 3.86 3i9v11 ARG 200 H 0.01 -0.03 -0.02 -0.55 8.46 7.87 3i9v11 ARG 200 HA 0.11 0.17 0.56 -0.75 4.34 4.42 3i9v11 ARG 200 HB2 -0.04 0.02 -0.10 -0.04 1.90 1.74 3i9v11 ARG 200 HB3 -0.01 0.04 0.09 -0.04 1.80 1.87 3i9v11 ARG 200 HG2 -0.04 0.03 -0.05 -0.04 1.67 1.57 3i9v11 ARG 200 HG3 -0.04 -0.05 -0.02 -0.04 1.67 1.52 3i9v11 ARG 200 HD2 -0.07 -0.05 0.02 -0.04 3.22 3.07 3i9v11 ARG 200 HD3 -0.06 0.10 -0.01 -0.04 3.22 3.21 3i9v11 LEU 201 H 0.08 0.16 0.12 -0.55 8.37 8.19 3i9v11 LEU 201 HA 0.01 0.05 0.65 -0.75 4.35 4.31 3i9v11 LEU 201 HB2 0.14 -0.02 0.13 -0.04 1.64 1.85 3i9v11 LEU 201 HB3 0.01 0.05 0.19 -0.04 1.64 1.84 3i9v11 LEU 201 HG -0.04 0.01 -0.05 -0.04 1.64 1.52 3i9v11 LEU 201 HD13 0.15 -0.00 0.03 -0.04 0.93 1.07 3i9v11 LEU 201 HD23 -0.00 0.00 -0.00 -0.04 0.89 0.85 3i9v11 LYS 202 H -0.25 0.10 0.18 -0.55 8.42 7.89 3i9v11 LYS 202 HA -0.31 0.28 0.27 -0.75 4.32 3.80 3i9v11 LYS 202 HB2 -0.29 -0.01 0.11 -0.04 1.87 1.64 3i9v11 LYS 202 HB3 -0.56 0.00 -0.12 -0.04 1.79 1.06 3i9v11 LYS 202 HG2 -0.22 0.01 -0.01 -0.04 1.46 1.20 3i9v11 LYS 202 HG3 -0.17 -0.02 -0.10 -0.04 1.46 1.13 3i9v11 LYS 202 HD2 -0.12 0.04 0.02 -0.04 1.69 1.59 3i9v11 LYS 202 HD3 0.03 -0.01 0.00 -0.04 1.68 1.66 3i9v11 LYS 202 HE2 -0.05 -0.04 0.00 -0.04 2.99 2.86 3i9v11 LYS 202 HE3 -0.11 0.03 0.01 -0.04 2.99 2.88 3i9v11 PRO 203 HA -0.33 0.00 0.47 -0.51 4.44 4.07 3i9v11 PRO 203 HB2 -0.11 0.07 -0.04 -0.04 2.28 2.15 3i9v11 PRO 203 HB3 -0.10 0.00 0.05 -0.04 2.02 1.94 3i9v11 PRO 203 HG2 -0.09 0.01 0.03 -0.04 2.03 1.94 3i9v11 PRO 203 HG3 -0.11 0.02 0.07 -0.04 2.03 1.97 3i9v11 PRO 203 HD2 -0.18 -0.06 0.03 -0.04 3.68 3.43 3i9v11 PRO 203 HD3 -0.23 0.07 0.09 -0.04 3.65 3.54 3i9v11 PRO 204 HA -0.08 0.04 0.81 -0.51 4.44 4.70 3i9v11 PRO 204 HB2 -0.07 0.06 0.11 -0.04 2.28 2.33 3i9v11 PRO 204 HB3 -0.04 0.02 0.04 -0.04 2.02 1.99 3i9v11 PRO 204 HG2 -0.05 -0.01 0.01 -0.04 2.03 1.94 3i9v11 PRO 204 HG3 -0.05 -0.00 -0.07 -0.04 2.03 1.87 3i9v11 PRO 204 HD2 -0.14 0.35 -0.17 -0.04 3.68 3.68 3i9v11 PRO 204 HD3 -0.11 -0.02 -0.14 -0.04 3.65 3.34 3i9v11 PHE 205 H 0.08 0.08 0.08 -0.55 8.34 8.03 3i9v11 PHE 205 HA -0.07 0.16 0.36 -0.75 4.62 4.31 3i9v11 PHE 205 HB2 -0.10 -0.00 0.13 -0.04 3.15 3.14 3i9v11 PHE 205 HB3 -0.12 -0.14 0.04 -0.04 3.06 2.80 3i9v11 PHE 205 HD2 -0.12 -0.02 0.06 -0.04 7.28 7.16 3i9v11 PHE 205 HE2 -0.11 -0.05 -0.01 -0.04 7.38 7.16 3i9v11 PHE 205 HZ -0.10 -0.05 -0.05 -0.04 7.32 7.07 3i9v11 PRO 206 HA 0.02 0.25 0.10 -0.51 4.44 4.31 3i9v11 PRO 206 HB2 0.04 0.13 -0.06 -0.04 2.28 2.35 3i9v11 PRO 206 HB3 0.01 -0.03 0.05 -0.04 2.02 2.01 3i9v11 PRO 206 HG2 0.07 0.02 0.10 -0.04 2.03 2.18 3i9v11 PRO 206 HG3 0.04 -0.06 0.05 -0.04 2.03 2.03 3i9v11 PRO 206 HD2 0.36 0.09 0.22 -0.04 3.68 4.31 3i9v11 PRO 206 HD3 0.03 0.17 0.16 -0.04 3.65 3.97 3i9v11 ALA 207 H 0.07 0.03 -0.22 -0.55 8.40 7.73 3i9v11 ALA 207 HA 0.04 0.24 0.46 -0.75 4.34 4.32 3i9v11 ALA 207 HB3 0.05 0.00 -0.08 -0.04 1.41 1.34 3i9v11 GLN 208 H 0.07 0.21 -0.37 -0.55 8.47 7.84 3i9v11 GLN 208 HA 0.03 0.18 0.82 -0.75 4.36 4.64 3i9v11 GLN 208 HB2 0.06 0.00 0.02 -0.04 2.15 2.20 3i9v11 GLN 208 HB3 0.05 -0.02 0.09 -0.04 2.02 2.09 3i9v11 GLN 208 HG2 0.04 -0.02 -0.01 -0.04 2.40 2.38 3i9v11 GLN 208 HG3 0.04 0.08 -0.24 -0.04 2.39 2.23 3i9v11 GLN 208 HE21 -0.14 -0.05 -0.01 -0.04 6.97 6.72 3i9v11 GLN 208 HE22 -0.01 0.17 -0.07 -0.04 7.69 7.74 3i9v11 SER 209 H 0.05 0.33 -0.16 -0.55 8.46 8.12 3i9v11 SER 209 HA 0.06 0.26 -0.06 -0.75 4.49 3.99 3i9v11 SER 209 HB2 0.03 0.01 -0.26 -0.04 3.95 3.69 3i9v11 SER 209 HB3 0.01 -0.07 -0.00 -0.04 3.93 3.82 3i9v11 GLY 210 H 0.06 0.76 -0.31 -0.55 8.43 8.40 3i9v11 GLY 210 HA2 -0.04 0.11 0.83 -0.51 4.01 4.40 3i9v11 GLY 210 HA3 -0.00 -0.05 0.39 -0.51 4.01 3.84 3i9v11 LEU 211 H -0.07 0.11 0.03 -0.55 8.37 7.90 3i9v11 LEU 211 HA -0.52 -0.01 0.30 -0.75 4.35 3.35 3i9v11 LEU 211 HB2 -0.29 -0.04 0.05 -0.04 1.64 1.32 3i9v11 LEU 211 HB3 -0.55 0.06 -0.02 -0.04 1.64 1.08 3i9v11 LEU 211 HG -1.88 0.05 -0.11 -0.04 1.64 -0.34 3i9v11 LEU 211 HD13 -0.83 -0.02 0.01 -0.04 0.93 0.04 3i9v11 LEU 211 HD23 -0.63 -0.01 -0.10 -0.04 0.89 0.11 3i9v11 TRP 212 H -0.54 0.11 0.19 -0.55 7.97 7.19 3i9v11 TRP 212 HA -0.03 0.02 0.35 -0.75 4.62 4.20 3i9v11 TRP 212 HB2 -0.01 0.12 -0.06 -0.04 3.23 3.23 3i9v11 TRP 212 HB3 0.01 0.01 0.17 -0.04 3.23 3.37 3i9v11 TRP 212 HD1 -0.05 0.01 0.04 -0.04 7.22 7.18 3i9v11 TRP 212 HE1 -0.09 0.09 0.02 -0.04 10.20 10.18 3i9v11 TRP 212 HE3 -0.54 0.07 -0.24 -0.04 7.59 6.84 3i9v11 TRP 212 HZ2 -0.19 0.07 -0.09 -0.04 7.44 7.19 3i9v11 TRP 212 HZ3 -0.50 -0.01 -0.14 -0.04 7.13 6.44 3i9v11 TRP 212 HH2 -0.44 -0.00 -0.12 -0.04 7.19 6.59 3i9v11 GLY 213 H 0.04 0.26 -0.11 -0.55 8.43 8.08 3i9v11 GLY 213 HA2 0.06 -0.01 0.23 -0.51 4.01 3.78 3i9v11 GLY 213 HA3 0.11 0.04 0.38 -0.51 4.01 4.03 3i9v11 LYS 214 H 0.20 0.29 -1.14 -0.55 8.42 7.22 3i9v11 LYS 214 HA 0.18 0.15 0.20 -0.75 4.32 4.08 3i9v11 LYS 214 HB2 0.54 0.16 -0.08 -0.04 1.87 2.44 3i9v11 LYS 214 HB3 0.36 0.22 -0.05 -0.04 1.79 2.27 3i9v11 LYS 214 HG2 0.35 0.25 0.03 -0.04 1.46 2.05 3i9v11 LYS 214 HG3 0.36 -0.12 -0.01 -0.04 1.46 1.65 3i9v11 LYS 214 HD2 0.18 0.08 0.03 -0.04 1.69 1.94 3i9v11 LYS 214 HD3 0.17 -0.03 -0.25 -0.04 1.68 1.52 3i9v11 LYS 214 HE2 0.13 -0.11 0.06 -0.04 2.99 3.03 3i9v11 LYS 214 HE3 0.10 -0.04 0.02 -0.04 2.99 3.03 3i9v11 PRO 215 HA 0.03 0.13 0.30 -0.51 4.44 4.40 3i9v11 PRO 215 HB2 -0.43 -0.05 0.25 -0.04 2.28 2.02 3i9v11 PRO 215 HB3 -0.20 0.22 0.23 -0.04 2.02 2.22 3i9v11 PRO 215 HG2 0.18 -0.05 0.07 -0.04 2.03 2.19 3i9v11 PRO 215 HG3 0.06 0.06 0.11 -0.04 2.03 2.22 3i9v11 PRO 215 HD2 0.27 0.45 0.24 -0.04 3.68 4.61 3i9v11 PRO 215 HD3 0.16 0.08 0.18 -0.04 3.65 4.03 3i9v11 THR 216 H 0.07 0.46 0.35 -0.55 8.28 8.62 3i9v11 THR 216 HA 0.16 0.29 1.16 -0.75 4.39 5.24 3i9v11 THR 216 HB 0.17 -0.00 0.01 -0.04 4.32 4.46 3i9v11 THR 216 HG23 0.23 0.10 -0.17 -0.04 1.22 1.33 3i9v11 THR 217 H 0.12 0.60 0.32 -0.55 8.28 8.78 3i9v11 THR 217 HA 0.10 0.09 0.76 -0.75 4.39 4.59 3i9v11 THR 217 HB 0.04 0.12 0.01 -0.04 4.32 4.45 3i9v11 THR 217 HG23 0.08 -0.04 -0.21 -0.04 1.22 1.01 3i9v11 ILE 218 H 0.11 0.22 0.16 -0.55 8.25 8.19 3i9v11 ILE 218 HA 0.11 0.21 1.08 -0.75 4.18 4.83 3i9v11 ILE 218 HB 0.05 -0.09 0.06 -0.04 1.89 1.88 3i9v11 ILE 218 HG12 0.02 0.05 -0.17 -0.04 1.49 1.36 3i9v11 ILE 218 HG13 0.05 -0.06 -0.28 -0.04 1.21 0.88 3i9v11 ILE 218 HG23 0.04 -0.00 -0.02 -0.04 0.93 0.90 3i9v11 ILE 218 HD13 -0.02 -0.00 -0.02 -0.04 0.88 0.79 3i9v11 ASN 219 H 0.14 0.72 0.36 -0.55 8.53 9.20 3i9v11 ASN 219 HA 0.14 0.08 0.71 -0.75 4.76 4.94 3i9v11 ASN 219 HB2 0.25 0.06 -0.08 -0.04 2.88 3.07 3i9v11 ASN 219 HB3 0.21 -0.05 0.02 -0.04 2.79 2.93 3i9v11 ASN 219 HD21 0.18 0.04 0.04 -0.04 7.03 7.25 3i9v11 ASN 219 HD22 0.15 -0.26 0.18 -0.04 7.74 7.77 3i9v11 ASN 220 H 0.12 0.05 0.18 -0.55 8.53 8.34 3i9v11 ASN 220 HA 0.10 0.25 0.64 -0.75 4.76 4.99 3i9v11 ASN 220 HB2 0.08 0.03 0.15 -0.04 2.88 3.10 3i9v11 ASN 220 HB3 0.10 -0.20 0.07 -0.04 2.79 2.71 3i9v11 ASN 220 HD21 0.08 0.02 0.11 -0.04 7.03 7.20 3i9v11 ASN 220 HD22 0.07 0.14 0.17 -0.04 7.74 8.08 3i9v11 VAL 221 H 0.11 0.31 0.09 -0.55 8.24 8.20 3i9v11 VAL 221 HA 0.12 0.15 0.38 -0.75 4.13 4.02 3i9v11 VAL 221 HB 0.11 -0.08 0.13 -0.04 2.12 2.24 3i9v11 VAL 221 HG13 0.11 0.04 -0.20 -0.04 0.97 0.88 3i9v11 VAL 221 HG23 0.11 0.04 -0.11 -0.04 0.95 0.96 3i9v11 GLU 222 H 0.10 0.09 -0.13 -0.55 8.60 8.11 3i9v11 GLU 222 HA 0.11 0.10 0.23 -0.75 4.29 3.98 3i9v11 GLU 222 HB2 0.08 -0.03 0.05 -0.04 2.09 2.15 3i9v11 GLU 222 HB3 0.07 -0.01 -0.00 -0.04 1.99 2.01 3i9v11 GLU 222 HG2 0.08 0.04 -0.01 -0.04 2.34 2.41 3i9v11 GLU 222 HG3 0.07 -0.01 -0.01 -0.04 2.34 2.35 3i9v11 THR 223 H 0.10 -0.09 -0.30 -0.55 8.28 7.44 3i9v11 THR 223 HA 0.08 0.15 0.35 -0.75 4.39 4.22 3i9v11 THR 223 HB 0.13 0.23 0.05 -0.04 4.32 4.69 3i9v11 THR 223 HG23 0.06 0.06 -0.11 -0.04 1.22 1.19 3i9v11 LEU 224 H 0.13 0.31 -0.41 -0.55 8.37 7.85 3i9v11 LEU 224 HA 0.20 0.13 0.33 -0.75 4.35 4.26 3i9v11 LEU 224 HB2 0.14 0.02 0.07 -0.04 1.64 1.83 3i9v11 LEU 224 HB3 0.15 0.04 -0.18 -0.04 1.64 1.61 3i9v11 LEU 224 HG 0.21 -0.07 -0.15 -0.04 1.64 1.59 3i9v11 LEU 224 HD13 0.16 -0.02 -0.19 -0.04 0.93 0.85 3i9v11 LEU 224 HD23 0.30 0.04 -0.13 -0.04 0.89 1.05 3i9v11 ALA 225 H 0.12 0.60 0.06 -0.55 8.40 8.63 3i9v11 ALA 225 HA 0.10 0.08 0.31 -0.75 4.34 4.08 3i9v11 ALA 225 HB3 0.11 -0.01 0.02 -0.04 1.41 1.50 3i9v11 SER 226 H 0.11 0.32 -0.62 -0.55 8.46 7.72 3i9v11 SER 226 HA 0.14 0.01 0.39 -0.75 4.49 4.27 3i9v11 SER 226 HB2 0.07 0.21 0.04 -0.04 3.95 4.24 3i9v11 SER 226 HB3 0.07 -0.03 0.04 -0.04 3.93 3.97 3i9v11 VAL 227 H 0.10 0.57 -0.36 -0.55 8.24 8.01 3i9v11 VAL 227 HA 0.00 0.04 0.48 -0.75 4.13 3.90 3i9v11 VAL 227 HB 0.19 0.19 0.17 -0.04 2.12 2.62 3i9v11 VAL 227 HG13 0.28 -0.02 -0.04 -0.04 0.97 1.15 3i9v11 VAL 227 HG23 0.25 0.02 0.01 -0.04 0.95 1.20 3i9v11 VAL 228 H 0.08 0.29 -0.43 -0.55 8.24 7.63 3i9v11 VAL 228 HA 0.05 0.10 0.44 -0.75 4.13 3.97 3i9v11 VAL 228 HB 0.07 0.13 0.14 -0.04 2.12 2.41 3i9v11 VAL 228 HG13 0.04 -0.02 -0.11 -0.04 0.97 0.83 3i9v11 VAL 228 HG23 0.08 0.02 -0.05 -0.04 0.95 0.96 3i9v11 PRO 229 HA -0.14 0.06 0.41 -0.51 4.44 4.27 3i9v11 PRO 229 HB2 0.15 0.08 -0.04 -0.04 2.28 2.43 3i9v11 PRO 229 HB3 -0.05 0.04 0.06 -0.04 2.02 2.03 3i9v11 PRO 229 HG2 0.21 0.13 0.09 -0.04 2.03 2.41 3i9v11 PRO 229 HG3 0.19 -0.05 0.01 -0.04 2.03 2.14 3i9v11 PRO 229 HD2 0.09 0.10 0.18 -0.04 3.68 4.01 3i9v11 PRO 229 HD3 0.07 0.13 0.11 -0.04 3.65 3.92 3i9v11 ILE 230 H 0.09 0.31 -0.32 -0.55 8.25 7.78 3i9v11 ILE 230 HA 0.19 0.08 0.18 -0.75 4.18 3.88 3i9v11 ILE 230 HB -0.07 0.07 -0.04 -0.04 1.89 1.81 3i9v11 ILE 230 HG12 -0.59 -0.04 0.02 -0.04 1.49 0.84 3i9v11 ILE 230 HG13 -0.27 0.07 0.07 -0.04 1.21 1.05 3i9v11 ILE 230 HG23 -0.08 -0.03 -0.28 -0.04 0.93 0.50 3i9v11 ILE 230 HD13 -0.77 -0.03 -0.05 -0.04 0.88 -0.01 3i9v11 MET 231 H 0.01 0.38 -0.35 -0.55 8.47 7.96 3i9v11 MET 231 HA 0.02 -0.01 0.44 -0.75 4.52 4.22 3i9v11 MET 231 HB2 0.03 0.08 0.11 -0.04 2.15 2.32 3i9v11 MET 231 HB3 0.03 -0.07 0.04 -0.04 2.03 1.99 3i9v11 MET 231 HG2 0.06 0.10 0.02 -0.04 2.63 2.77 3i9v11 MET 231 HG3 0.09 -0.03 0.00 -0.04 2.56 2.58 3i9v11 MET 231 HE3 0.05 -0.01 0.04 -0.04 2.10 2.14 3i9v11 GLU 232 H -0.04 0.54 -0.22 -0.55 8.60 8.33 3i9v11 GLU 232 HA -0.06 -0.00 0.61 -0.75 4.29 4.08 3i9v11 GLU 232 HB2 -0.08 -0.06 0.05 -0.04 2.09 1.96 3i9v11 GLU 232 HB3 -0.16 0.04 0.20 -0.04 1.99 2.03 3i9v11 GLU 232 HG2 -0.15 0.02 -0.20 -0.04 2.34 1.96 3i9v11 GLU 232 HG3 -0.10 -0.08 0.04 -0.04 2.34 2.17 3i9v11 ARG 233 H -0.19 0.73 0.02 -0.55 8.46 8.47 3i9v11 ARG 233 HA -0.10 0.18 0.98 -0.75 4.34 4.64 3i9v11 ARG 233 HB2 -0.43 -0.05 0.22 -0.04 1.90 1.60 3i9v11 ARG 233 HB3 -0.30 -0.00 0.01 -0.04 1.80 1.46 3i9v11 ARG 233 HG2 -0.48 -0.06 0.00 -0.04 1.67 1.09 3i9v11 ARG 233 HG3 -1.07 0.05 0.00 -0.04 1.67 0.61 3i9v11 ARG 233 HD2 -1.68 -0.00 -0.02 -0.04 3.22 1.48 3i9v11 ARG 233 HD3 -0.56 -0.00 -0.02 -0.04 3.22 2.59 3i9v11 GLY 234 H 0.01 0.22 -0.28 -0.55 8.43 7.84 3i9v11 GLY 234 HA2 0.07 0.00 0.41 -0.51 4.01 3.98 3i9v11 GLY 234 HA3 0.11 -0.05 0.21 -0.51 4.01 3.76 3i9v11 ALA 235 H 0.09 0.13 0.18 -0.55 8.40 8.26 3i9v11 ALA 235 HA 0.19 0.11 0.64 -0.75 4.34 4.53 3i9v11 ALA 235 HB3 0.07 0.08 -0.05 -0.04 1.41 1.46 3i9v11 ASP 236 H 0.12 0.05 -0.05 -0.55 8.40 7.98 3i9v11 ASP 236 HA 0.08 0.09 0.31 -0.75 4.63 4.36 3i9v11 ASP 236 HB2 0.12 -0.02 0.04 -0.04 2.71 2.80 3i9v11 ASP 236 HB3 0.08 0.07 -0.04 -0.04 2.70 2.77 3i9v11 TRP 237 H 0.34 0.14 -0.32 -0.55 7.97 7.58 3i9v11 TRP 237 HA 0.04 0.03 0.46 -0.75 4.62 4.40 3i9v11 TRP 237 HB2 0.04 -0.06 0.15 -0.04 3.23 3.32 3i9v11 TRP 237 HB3 0.08 0.40 0.20 -0.04 3.23 3.87 3i9v11 TRP 237 HD1 0.02 -0.02 0.02 -0.04 7.22 7.20 3i9v11 TRP 237 HE1 0.00 -0.01 -0.02 -0.04 10.20 10.13 3i9v11 TRP 237 HE3 0.20 0.12 -0.20 -0.04 7.59 7.67 3i9v11 TRP 237 HZ2 -0.03 0.01 -0.05 -0.04 7.44 7.33 3i9v11 TRP 237 HZ3 0.28 -0.10 -0.12 -0.04 7.13 7.14 3i9v11 TRP 237 HH2 0.08 -0.10 -0.05 -0.04 7.19 7.07 3i9v11 PHE 238 H 0.49 0.26 -0.22 -0.55 8.34 8.32 3i9v11 PHE 238 HA -0.46 -0.05 0.42 -0.75 4.62 3.78 3i9v11 PHE 238 HB2 0.32 0.01 0.14 -0.04 3.15 3.58 3i9v11 PHE 238 HB3 0.08 0.11 0.29 -0.04 3.06 3.50 3i9v11 PHE 238 HD2 0.11 0.21 -0.05 -0.04 7.28 7.52 3i9v11 PHE 238 HE2 0.01 -0.01 -0.28 -0.04 7.38 7.06 3i9v11 PHE 238 HZ -0.02 0.01 -0.07 -0.04 7.32 7.20 3i9v11 ALA 239 H 0.13 0.78 0.13 -0.55 8.40 8.89 3i9v11 ALA 239 HA -0.12 0.03 0.49 -0.75 4.34 3.98 3i9v11 ALA 239 HB3 0.02 0.01 0.08 -0.04 1.41 1.48 3i9v11 GLN 240 H -0.18 0.31 -0.67 -0.55 8.47 7.38 3i9v11 GLN 240 HA -0.11 0.02 0.37 -0.75 4.36 3.88 3i9v11 GLN 240 HB2 -0.07 0.14 0.15 -0.04 2.15 2.33 3i9v11 GLN 240 HB3 -0.23 0.13 0.14 -0.04 2.02 2.02 3i9v11 GLN 240 HG2 -0.09 -0.10 0.20 -0.04 2.40 2.38 3i9v11 GLN 240 HG3 -0.06 0.00 0.12 -0.04 2.39 2.41 3i9v11 GLN 240 HE21 0.03 -0.04 -0.01 -0.04 6.97 6.90 3i9v11 GLN 240 HE22 -0.02 -0.04 0.00 -0.04 7.69 7.59 3i9v11 MET 241 H -0.29 0.33 -0.91 -0.55 8.47 7.05 3i9v11 MET 241 HA -0.21 -0.00 0.98 -0.75 4.52 4.53 3i9v11 MET 241 HB2 -0.52 0.19 0.08 -0.04 2.15 1.86 3i9v11 MET 241 HB3 -0.39 0.05 0.01 -0.04 2.03 1.66 3i9v11 MET 241 HG2 -0.23 -0.10 0.01 -0.04 2.63 2.27 3i9v11 MET 241 HG3 -0.19 0.04 0.03 -0.04 2.56 2.40 3i9v11 MET 241 HE3 -1.14 0.01 -0.04 -0.04 2.10 0.89 3i9v11 GLY 242 H -0.17 0.50 0.36 -0.55 8.43 8.57 3i9v11 GLY 242 HA2 -0.15 0.56 0.58 -0.51 4.01 4.48 3i9v11 GLY 242 HA3 -0.18 0.17 0.55 -0.51 4.01 4.04 3i9v11 THR 243 H -0.10 0.10 0.07 -0.55 8.28 7.80 3i9v11 THR 243 HA -0.03 0.13 0.30 -0.75 4.39 4.04 3i9v11 THR 243 HB 0.02 -0.39 0.09 -0.04 4.32 4.01 3i9v11 THR 243 HG23 0.19 -0.07 0.11 -0.04 1.22 1.41 3i9v11 GLU 244 H 0.03 0.05 0.14 -0.55 8.60 8.28 3i9v11 GLU 244 HA -0.02 0.26 0.48 -0.75 4.29 4.25 3i9v11 GLU 244 HB2 0.00 0.01 0.08 -0.04 2.09 2.14 3i9v11 GLU 244 HB3 0.00 -0.06 0.05 -0.04 1.99 1.94 3i9v11 GLU 244 HG2 -0.01 0.04 0.10 -0.04 2.34 2.42 3i9v11 GLU 244 HG3 -0.01 0.04 0.05 -0.04 2.34 2.38 3i9v11 GLN 245 H 0.01 -0.17 -0.09 -0.55 8.47 7.67 3i9v11 GLN 245 HA -0.00 0.32 0.81 -0.75 4.36 4.73 3i9v11 GLN 245 HB2 0.03 -0.12 -0.01 -0.04 2.15 2.00 3i9v11 GLN 245 HB3 0.04 0.04 0.06 -0.04 2.02 2.12 3i9v11 GLN 245 HG2 -0.00 0.13 0.07 -0.04 2.40 2.56 3i9v11 GLN 245 HG3 -0.00 -0.06 -0.20 -0.04 2.39 2.09 3i9v11 GLN 245 HE21 -0.01 -0.01 0.02 -0.04 6.97 6.93 3i9v11 GLN 245 HE22 -0.01 0.04 0.04 -0.04 7.69 7.71 3i9v11 SER 246 H -0.03 -0.12 -0.22 -0.55 8.46 7.54 3i9v11 SER 246 HA -0.15 0.27 0.95 -0.75 4.49 4.81 3i9v11 SER 246 HB2 -0.11 -0.13 0.19 -0.04 3.95 3.86 3i9v11 SER 246 HB3 -0.32 0.13 0.14 -0.04 3.93 3.84 3i9v11 LYS 247 H -0.07 0.18 -0.10 -0.55 8.42 7.88 3i9v11 LYS 247 HA -0.20 0.35 0.56 -0.75 4.32 4.28 3i9v11 LYS 247 HB2 0.02 0.02 0.03 -0.04 1.87 1.90 3i9v11 LYS 247 HB3 -0.19 0.02 0.16 -0.04 1.79 1.73 3i9v11 LYS 247 HG2 -0.03 -0.16 -0.09 -0.04 1.46 1.13 3i9v11 LYS 247 HG3 0.00 0.01 0.03 -0.04 1.46 1.46 3i9v11 LYS 247 HD2 -0.08 0.12 0.15 -0.04 1.69 1.84 3i9v11 LYS 247 HD3 -0.10 0.16 -0.08 -0.04 1.68 1.62 3i9v11 LYS 247 HE2 -0.04 -0.16 -0.21 -0.04 2.99 2.55 3i9v11 LYS 247 HE3 -0.03 -0.08 -0.02 -0.04 2.99 2.82 3i9v11 GLY 248 H -0.57 0.45 0.30 -0.55 8.43 8.06 3i9v11 GLY 248 HA2 -1.24 0.16 0.43 -0.51 4.01 2.85 3i9v11 GLY 248 HA3 -1.41 -0.01 0.45 -0.51 4.01 2.53 3i9v11 MET 249 H -0.22 0.09 0.19 -0.55 8.47 7.98 3i9v11 MET 249 HA -0.14 0.02 1.05 -0.75 4.52 4.70 3i9v11 MET 249 HB2 0.13 0.09 -0.04 -0.04 2.15 2.30 3i9v11 MET 249 HB3 0.11 0.04 -0.01 -0.04 2.03 2.13 3i9v11 MET 249 HG2 0.11 -0.02 -0.36 -0.04 2.63 2.32 3i9v11 MET 249 HG3 0.21 -0.10 -0.07 -0.04 2.56 2.56 3i9v11 MET 249 HE3 0.38 -0.01 0.04 -0.04 2.10 2.47 3i9v11 LYS 250 H -0.05 0.76 0.33 -0.55 8.42 8.90 3i9v11 LYS 250 HA -0.15 0.08 0.86 -0.75 4.32 4.36 3i9v11 LYS 250 HB2 -0.29 0.10 -0.38 -0.04 1.87 1.25 3i9v11 LYS 250 HB3 -0.64 0.04 -0.16 -0.04 1.79 0.99 3i9v11 LYS 250 HG2 -0.60 -0.01 -0.18 -0.04 1.46 0.62 3i9v11 LYS 250 HG3 -0.93 0.04 -0.36 -0.04 1.46 0.17 3i9v11 LYS 250 HD2 -0.19 -0.30 0.10 -0.04 1.69 1.26 3i9v11 LYS 250 HD3 -0.14 0.09 -0.02 -0.04 1.68 1.56 3i9v11 LYS 250 HE2 -0.01 -0.09 -0.02 -0.04 2.99 2.84 3i9v11 LYS 250 HE3 -0.07 0.01 -0.20 -0.04 2.99 2.69 3i9v11 LEU 251 H -0.20 0.15 0.09 -0.55 8.37 7.86 3i9v11 LEU 251 HA -0.20 0.10 0.74 -0.75 4.35 4.24 3i9v11 LEU 251 HB2 -0.11 -0.04 0.18 -0.04 1.64 1.63 3i9v11 LEU 251 HB3 -0.21 -0.00 0.02 -0.04 1.64 1.40 3i9v11 LEU 251 HG -0.29 0.02 -0.03 -0.04 1.64 1.30 3i9v11 LEU 251 HD13 0.02 -0.01 -0.16 -0.04 0.93 0.75 3i9v11 LEU 251 HD23 0.14 -0.02 -0.05 -0.04 0.89 0.92 3i9v11 TYR 252 H -0.02 0.42 0.24 -0.55 8.29 8.38 3i9v11 TYR 252 HA -0.12 0.24 0.96 -0.75 4.56 4.89 3i9v11 TYR 252 HB2 -0.11 0.09 0.19 -0.04 3.06 3.19 3i9v11 TYR 252 HB3 -0.10 0.05 0.06 -0.04 2.98 2.95 3i9v11 TYR 252 HD2 -0.15 0.05 0.04 -0.04 7.15 7.05 3i9v11 TYR 252 HE2 -0.17 0.03 -0.21 -0.04 6.85 6.46 3i9v11 GLN 253 H -0.06 0.81 0.47 -0.55 8.47 9.15 3i9v11 GLN 253 HA -0.07 0.34 1.10 -0.75 4.36 4.98 3i9v11 GLN 253 HB2 -0.91 0.02 -0.09 -0.04 2.15 1.12 3i9v11 GLN 253 HB3 -0.49 -0.13 -0.21 -0.04 2.02 1.15 3i9v11 GLN 253 HG2 -0.34 0.18 0.11 -0.04 2.40 2.31 3i9v11 GLN 253 HG3 -1.24 -0.20 -0.07 -0.04 2.39 0.83 3i9v11 GLN 253 HE21 -0.16 0.37 0.07 -0.04 6.97 7.21 3i9v11 GLN 253 HE22 -0.16 -0.18 0.15 -0.04 7.69 7.47 3i9v11 ILE 254 H 0.15 0.47 0.36 -0.55 8.25 8.67 3i9v11 ILE 254 HA 0.10 0.39 1.12 -0.75 4.18 5.03 3i9v11 ILE 254 HB 0.10 -0.01 -0.24 -0.04 1.89 1.69 3i9v11 ILE 254 HG12 0.09 0.04 -0.27 -0.04 1.49 1.31 3i9v11 ILE 254 HG13 0.08 -0.01 -0.10 -0.04 1.21 1.15 3i9v11 ILE 254 HG23 0.23 0.01 -0.06 -0.04 0.93 1.06 3i9v11 ILE 254 HD13 0.05 -0.02 -0.20 -0.04 0.88 0.67 3i9v11 SER 255 H 0.12 0.54 0.31 -0.55 8.46 8.88 3i9v11 SER 255 HA 0.13 0.14 0.89 -0.75 4.49 4.89 3i9v11 SER 255 HB2 0.10 -0.03 0.01 -0.04 3.95 4.00 3i9v11 SER 255 HB3 0.22 -0.02 -0.06 -0.04 3.93 4.04 3i9v11 GLY 256 H 0.05 0.20 0.24 -0.55 8.43 8.37 3i9v11 GLY 256 HA2 0.01 0.05 0.38 -0.51 4.01 3.94 3i9v11 GLY 256 HA3 0.01 0.20 1.00 -0.51 4.01 4.72 3i9v11 PRO 257 HA 0.01 0.21 0.60 -0.51 4.44 4.75 3i9v11 PRO 257 HB2 -0.03 -0.12 0.22 -0.04 2.28 2.31 3i9v11 PRO 257 HB3 -0.01 0.08 0.11 -0.04 2.02 2.16 3i9v11 PRO 257 HG2 -0.03 -0.02 0.06 -0.04 2.03 2.00 3i9v11 PRO 257 HG3 -0.01 0.06 0.04 -0.04 2.03 2.08 3i9v11 PRO 257 HD2 -0.05 0.05 0.02 -0.04 3.68 3.66 3i9v11 PRO 257 HD3 -0.02 0.18 0.25 -0.04 3.65 4.02 3i9v11 VAL 258 H 0.02 0.48 -0.37 -0.55 8.24 7.83 3i9v11 VAL 258 HA -0.02 0.10 0.69 -0.75 4.13 4.14 3i9v11 VAL 258 HB -0.01 -0.11 -0.32 -0.04 2.12 1.64 3i9v11 VAL 258 HG13 0.07 0.00 -0.38 -0.04 0.97 0.62 3i9v11 VAL 258 HG23 -0.03 0.01 -0.29 -0.04 0.95 0.60 3i9v11 LYS 259 H 0.01 0.42 -0.10 -0.55 8.42 8.19 3i9v11 LYS 259 HA 0.03 -0.07 0.27 -0.75 4.32 3.80 3i9v11 LYS 259 HB2 0.03 0.23 0.05 -0.04 1.87 2.14 3i9v11 LYS 259 HB3 0.04 0.18 0.33 -0.04 1.79 2.29 3i9v11 LYS 259 HG2 0.05 -0.03 -0.16 -0.04 1.46 1.28 3i9v11 LYS 259 HG3 0.04 -0.13 0.02 -0.04 1.46 1.35 3i9v11 LYS 259 HD2 0.04 0.08 0.09 -0.04 1.69 1.86 3i9v11 LYS 259 HD3 0.04 -0.00 0.13 -0.04 1.68 1.81 3i9v11 LYS 259 HE2 0.03 -0.06 0.03 -0.04 2.99 2.95 3i9v11 LYS 259 HE3 0.04 -0.04 0.00 -0.04 2.99 2.95 3i9v11 ARG 260 H 0.08 0.67 0.02 -0.55 8.46 8.68 3i9v11 ARG 260 HA 0.09 0.16 0.84 -0.75 4.34 4.68 3i9v11 ARG 260 HB2 0.14 -0.05 0.06 -0.04 1.90 2.00 3i9v11 ARG 260 HB3 0.10 -0.00 -0.17 -0.04 1.80 1.69 3i9v11 ARG 260 HG2 0.13 0.09 -0.13 -0.04 1.67 1.72 3i9v11 ARG 260 HG3 0.30 -0.08 0.05 -0.04 1.67 1.90 3i9v11 ARG 260 HD2 0.20 0.07 0.01 -0.04 3.22 3.45 3i9v11 ARG 260 HD3 0.16 -0.09 -0.02 -0.04 3.22 3.23 3i9v11 PRO 261 HA 0.21 0.05 0.38 -0.51 4.44 4.57 3i9v11 PRO 261 HB2 0.12 -0.05 0.08 -0.04 2.28 2.39 3i9v11 PRO 261 HB3 0.11 -0.06 0.17 -0.04 2.02 2.20 3i9v11 PRO 261 HG2 0.06 -0.04 0.05 -0.04 2.03 2.06 3i9v11 PRO 261 HG3 0.05 0.01 0.08 -0.04 2.03 2.13 3i9v11 PRO 261 HD2 0.07 0.18 0.08 -0.04 3.68 3.97 3i9v11 PRO 261 HD3 0.07 0.29 -0.18 -0.04 3.65 3.78 3i9v11 GLY 262 H 0.26 0.36 0.37 -0.55 8.43 8.87 3i9v11 GLY 262 HA2 0.30 -0.06 0.24 -0.51 4.01 3.98 3i9v11 GLY 262 HA3 -0.06 0.21 0.80 -0.51 4.01 4.45 3i9v11 VAL 263 H -0.16 0.15 0.17 -0.55 8.24 7.85 3i9v11 VAL 263 HA -0.24 0.24 0.98 -0.75 4.13 4.36 3i9v11 VAL 263 HB -0.15 -0.00 0.10 -0.04 2.12 2.03 3i9v11 VAL 263 HG13 -0.86 -0.01 -0.17 -0.04 0.97 -0.12 3i9v11 VAL 263 HG23 0.12 -0.03 -0.08 -0.04 0.95 0.92 3i9v11 TYR 264 H -0.14 0.88 0.30 -0.55 8.29 8.78 3i9v11 TYR 264 HA -0.26 0.11 0.76 -0.75 4.56 4.41 3i9v11 TYR 264 HB2 -0.26 -0.02 0.05 -0.04 3.06 2.79 3i9v11 TYR 264 HB3 -0.66 0.02 -0.07 -0.04 2.98 2.22 3i9v11 TYR 264 HD2 -0.19 -0.02 -0.14 -0.04 7.15 6.76 3i9v11 TYR 264 HE2 0.08 0.00 -0.16 -0.04 6.85 6.73 3i9v11 GLU 265 H -0.15 0.17 0.06 -0.55 8.60 8.13 3i9v11 GLU 265 HA -0.06 0.12 0.75 -0.75 4.29 4.34 3i9v11 GLU 265 HB2 -0.06 -0.10 0.10 -0.04 2.09 1.99 3i9v11 GLU 265 HB3 0.05 0.06 0.14 -0.04 1.99 2.20 3i9v11 GLU 265 HG2 0.21 0.19 -0.16 -0.04 2.34 2.53 3i9v11 GLU 265 HG3 0.06 -0.06 -0.04 -0.04 2.34 2.26 3i9v11 LEU 266 H 0.07 0.44 0.43 -0.55 8.37 8.76 3i9v11 LEU 266 HA -0.31 0.20 0.77 -0.75 4.35 4.26 3i9v11 LEU 266 HB2 -0.06 -0.00 0.00 -0.04 1.64 1.54 3i9v11 LEU 266 HB3 -0.19 0.01 0.07 -0.04 1.64 1.48 3i9v11 LEU 266 HG -0.28 -0.09 -0.85 -0.04 1.64 0.38 3i9v11 LEU 266 HD13 -0.25 -0.01 -0.11 -0.04 0.93 0.51 3i9v11 LEU 266 HD23 -0.41 0.01 -0.11 -0.04 0.89 0.34 3i9v11 PRO 267 HA -0.21 0.03 0.77 -0.51 4.44 4.52 3i9v11 PRO 267 HB2 -0.29 0.23 0.02 -0.04 2.28 2.20 3i9v11 PRO 267 HB3 -0.46 0.03 0.05 -0.04 2.02 1.60 3i9v11 PRO 267 HG2 -0.33 -0.11 -0.03 -0.04 2.03 1.52 3i9v11 PRO 267 HG3 -0.57 -0.02 0.04 -0.04 2.03 1.43 3i9v11 PRO 267 HD2 -0.51 0.10 0.20 -0.04 3.68 3.43 3i9v11 PRO 267 HD3 -1.98 0.16 0.09 -0.04 3.65 1.88 3i9v11 MET 268 H -0.19 0.79 0.37 -0.55 8.47 8.88 3i9v11 MET 268 HA -0.01 -0.02 0.47 -0.75 4.52 4.20 3i9v11 MET 268 HB2 -0.22 0.27 -0.13 -0.04 2.15 2.03 3i9v11 MET 268 HB3 -0.19 0.08 0.14 -0.04 2.03 2.02 3i9v11 MET 268 HG2 -0.27 0.02 0.00 -0.04 2.63 2.33 3i9v11 MET 268 HG3 -0.17 -0.11 0.08 -0.04 2.56 2.33 3i9v11 MET 268 HE3 -0.34 -0.00 -0.14 -0.04 2.10 1.57 3i9v11 GLY 269 H -0.05 0.32 0.12 -0.55 8.43 8.28 3i9v11 GLY 269 HA2 -0.15 -0.10 0.20 -0.51 4.01 3.45 3i9v11 GLY 269 HA3 -0.14 0.20 0.92 -0.51 4.01 4.48 3i9v11 THR 270 H -0.16 0.30 -0.25 -0.55 8.28 7.62 3i9v11 THR 270 HA -0.12 0.16 0.29 -0.75 4.39 3.96 3i9v11 THR 270 HB -0.10 -0.09 0.02 -0.04 4.32 4.11 3i9v11 THR 270 HG23 -0.19 0.09 -0.07 -0.04 1.22 1.01 3i9v11 THR 271 H -0.08 0.04 0.21 -0.55 8.28 7.90 3i9v11 THR 271 HA 0.02 0.29 0.48 -0.75 4.39 4.43 3i9v11 THR 271 HB 0.02 0.18 -0.16 -0.04 4.32 4.32 3i9v11 THR 271 HG23 -0.04 -0.00 0.14 -0.04 1.22 1.28 3i9v11 PHE 272 H 0.55 0.47 0.22 -0.55 8.34 9.02 3i9v11 PHE 272 HA -0.05 0.06 0.47 -0.75 4.62 4.34 3i9v11 PHE 272 HB2 0.00 0.05 0.11 -0.04 3.15 3.27 3i9v11 PHE 272 HB3 0.03 -0.04 -0.02 -0.04 3.06 3.00 3i9v11 PHE 272 HD2 0.01 0.13 0.06 -0.04 7.28 7.43 3i9v11 PHE 272 HE2 0.03 -0.03 -0.19 -0.04 7.38 7.15 3i9v11 PHE 272 HZ 0.05 -0.08 -0.10 -0.04 7.32 7.15 3i9v11 ARG 273 H 0.16 0.60 0.09 -0.55 8.46 8.75 3i9v11 ARG 273 HA 0.24 0.02 0.40 -0.75 4.34 4.25 3i9v11 ARG 273 HB2 0.06 0.01 0.07 -0.04 1.90 2.00 3i9v11 ARG 273 HB3 0.04 -0.02 0.10 -0.04 1.80 1.88 3i9v11 ARG 273 HG2 0.02 -0.03 -0.27 -0.04 1.67 1.36 3i9v11 ARG 273 HG3 0.05 -0.02 -0.01 -0.04 1.67 1.64 3i9v11 ARG 273 HD2 -0.03 0.01 -0.07 -0.04 3.22 3.08 3i9v11 ARG 273 HD3 -0.08 -0.00 -0.07 -0.04 3.22 3.03 3i9v11 GLU 274 H 0.03 0.12 -0.40 -0.55 8.60 7.80 3i9v11 GLU 274 HA -0.04 0.03 0.50 -0.75 4.29 4.03 3i9v11 GLU 274 HB2 -0.03 -0.04 0.12 -0.04 2.09 2.09 3i9v11 GLU 274 HB3 -0.01 0.22 0.12 -0.04 1.99 2.27 3i9v11 GLU 274 HG2 0.20 0.06 -0.29 -0.04 2.34 2.27 3i9v11 GLU 274 HG3 -0.14 -0.02 0.03 -0.04 2.34 2.17 3i9v11 LEU 275 H 0.00 0.42 -0.10 -0.55 8.37 8.14 3i9v11 LEU 275 HA 0.28 0.02 0.36 -0.75 4.35 4.26 3i9v11 LEU 275 HB2 -0.15 0.05 0.06 -0.04 1.64 1.56 3i9v11 LEU 275 HB3 -0.05 0.04 0.12 -0.04 1.64 1.70 3i9v11 LEU 275 HG -0.06 0.01 -0.07 -0.04 1.64 1.47 3i9v11 LEU 275 HD13 -0.24 0.00 -0.08 -0.04 0.93 0.58 3i9v11 LEU 275 HD23 0.04 -0.02 -0.26 -0.04 0.89 0.61 3i9v11 ILE 276 H 0.05 0.79 -0.02 -0.55 8.25 8.52 3i9v11 ILE 276 HA -0.03 0.02 0.18 -0.75 4.18 3.59 3i9v11 ILE 276 HB -0.01 0.04 0.00 -0.04 1.89 1.89 3i9v11 ILE 276 HG12 0.09 -0.04 -0.08 -0.04 1.49 1.43 3i9v11 ILE 276 HG13 0.09 -0.02 0.04 -0.04 1.21 1.29 3i9v11 ILE 276 HG23 -0.26 -0.02 -0.12 -0.04 0.93 0.49 3i9v11 ILE 276 HD13 0.29 -0.03 -0.25 -0.04 0.88 0.84 3i9v11 TYR 277 H 0.08 0.24 -0.65 -0.55 8.29 7.41 3i9v11 TYR 277 HA -0.00 0.08 0.79 -0.75 4.56 4.68 3i9v11 TYR 277 HB2 -0.04 0.36 0.17 -0.04 3.06 3.51 3i9v11 TYR 277 HB3 -0.05 -0.00 -0.04 -0.04 2.98 2.84 3i9v11 TYR 277 HD2 0.01 0.05 -0.02 -0.04 7.15 7.15 3i9v11 TYR 277 HE2 0.05 0.01 -0.03 -0.04 6.85 6.83 3i9v11 GLU 278 H -0.05 0.21 0.16 -0.55 8.60 8.37 3i9v11 GLU 278 HA -0.22 0.02 0.36 -0.75 4.29 3.69 3i9v11 GLU 278 HB2 -1.07 0.02 0.08 -0.04 2.09 1.08 3i9v11 GLU 278 HB3 -0.64 -0.02 0.08 -0.04 1.99 1.37 3i9v11 GLU 278 HG2 -0.16 0.08 0.34 -0.04 2.34 2.56 3i9v11 GLU 278 HG3 -0.30 -0.11 0.12 -0.04 2.34 2.00 3i9v11 TRP 279 H -0.19 0.25 -0.12 -0.55 7.97 7.36 3i9v11 TRP 279 HA -0.19 0.12 0.58 -0.75 4.62 4.38 3i9v11 TRP 279 HB2 -0.55 0.05 0.16 -0.04 3.23 2.85 3i9v11 TRP 279 HB3 -1.17 0.02 -0.05 -0.04 3.23 1.99 3i9v11 TRP 279 HD1 -0.21 -0.05 -0.19 -0.04 7.22 6.73 3i9v11 TRP 279 HE1 -0.11 -0.08 -0.15 -0.04 10.20 9.82 3i9v11 TRP 279 HE3 -0.05 0.06 -0.02 -0.04 7.59 7.53 3i9v11 TRP 279 HZ2 -0.00 -0.03 -0.03 -0.04 7.44 7.34 3i9v11 TRP 279 HZ3 0.06 0.01 -0.02 -0.04 7.13 7.13 3i9v11 TRP 279 HH2 0.06 0.02 -0.01 -0.04 7.19 7.22 3i9v11 ALA 280 H -0.04 0.53 -0.01 -0.55 8.40 8.33 3i9v11 ALA 280 HA 0.08 0.27 0.25 -0.75 4.34 4.18 3i9v11 ALA 280 HB3 0.03 -0.03 -0.08 -0.04 1.41 1.29 3i9v11 GLY 281 H 0.00 0.23 -0.85 -0.55 8.43 7.26 3i9v11 GLY 281 HA2 0.03 0.06 0.23 -0.51 4.01 3.82 3i9v11 GLY 281 HA3 0.04 0.01 0.44 -0.51 4.01 3.99 3i9v11 GLY 282 H -0.06 0.24 -0.01 -0.55 8.43 8.06 3i9v11 GLY 282 HA2 -0.45 0.04 0.35 -0.51 4.01 3.44 3i9v11 GLY 282 HA3 0.06 0.02 0.45 -0.51 4.01 4.03 3i9v11 PRO 283 HA -0.06 0.09 0.53 -0.51 4.44 4.49 3i9v11 PRO 283 HB2 -0.01 0.06 0.05 -0.04 2.28 2.33 3i9v11 PRO 283 HB3 -0.10 0.03 0.16 -0.04 2.02 2.06 3i9v11 PRO 283 HG2 -0.05 -0.03 0.05 -0.04 2.03 1.96 3i9v11 PRO 283 HG3 -0.18 -0.00 0.01 -0.04 2.03 1.81 3i9v11 PRO 283 HD2 -0.27 0.08 0.15 -0.04 3.68 3.61 3i9v11 PRO 283 HD3 -0.51 0.13 0.08 -0.04 3.65 3.31 3i9v11 LEU 284 H -0.02 0.25 0.31 -0.55 8.37 8.36 3i9v11 LEU 284 HA 0.02 0.18 0.81 -0.75 4.35 4.61 3i9v11 LEU 284 HB2 0.00 -0.04 -0.08 -0.04 1.64 1.48 3i9v11 LEU 284 HB3 0.01 -0.04 0.07 -0.04 1.64 1.64 3i9v11 LEU 284 HG 0.00 -0.01 -0.44 -0.04 1.64 1.15 3i9v11 LEU 284 HD13 0.01 0.03 -0.22 -0.04 0.93 0.71 3i9v11 LEU 284 HD23 0.02 0.04 -0.21 -0.04 0.89 0.70 3i9v11 GLU 285 H -0.02 0.07 0.23 -0.55 8.60 8.33 3i9v11 GLU 285 HA 0.00 0.18 0.75 -0.75 4.29 4.47 3i9v11 GLU 285 HB2 -0.03 -0.04 0.01 -0.04 2.09 1.98 3i9v11 GLU 285 HB3 -0.02 0.02 0.11 -0.04 1.99 2.06 3i9v11 GLU 285 HG2 -0.00 0.01 -0.27 -0.04 2.34 2.04 3i9v11 GLU 285 HG3 -0.01 -0.01 -0.01 -0.04 2.34 2.27 3i9v11 PRO 286 HA 0.02 0.09 0.69 -0.51 4.44 4.73 3i9v11 PRO 286 HB2 0.02 -0.09 0.11 -0.04 2.28 2.28 3i9v11 PRO 286 HB3 0.04 0.08 0.11 -0.04 2.02 2.21 3i9v11 PRO 286 HG2 0.02 0.04 0.08 -0.04 2.03 2.14 3i9v11 PRO 286 HG3 0.03 0.08 0.04 -0.04 2.03 2.15 3i9v11 PRO 286 HD2 0.01 0.06 0.24 -0.04 3.68 3.95 3i9v11 PRO 286 HD3 0.01 0.21 0.14 -0.04 3.65 3.96 3i9v11 ILE 287 H -0.14 0.18 0.22 -0.55 8.25 7.96 3i9v11 ILE 287 HA -0.20 0.11 0.86 -0.75 4.18 4.20 3i9v11 ILE 287 HB -1.41 0.00 0.10 -0.04 1.89 0.54 3i9v11 ILE 287 HG12 -0.47 -0.00 -0.09 -0.04 1.49 0.89 3i9v11 ILE 287 HG13 -0.28 -0.00 -0.27 -0.04 1.21 0.62 3i9v11 ILE 287 HG23 -0.73 0.01 -0.06 -0.04 0.93 0.10 3i9v11 ILE 287 HD13 -0.19 -0.01 -0.32 -0.04 0.88 0.32 3i9v11 GLN 288 H -0.09 0.60 0.43 -0.55 8.47 8.86 3i9v11 GLN 288 HA 0.16 0.18 1.03 -0.75 4.36 4.98 3i9v11 GLN 288 HB2 0.23 -0.02 0.14 -0.04 2.15 2.46 3i9v11 GLN 288 HB3 0.08 -0.06 -0.04 -0.04 2.02 1.96 3i9v11 GLN 288 HG2 -0.01 0.14 -0.23 -0.04 2.40 2.26 3i9v11 GLN 288 HG3 0.03 0.00 -0.33 -0.04 2.39 2.05 3i9v11 GLN 288 HE21 -0.03 0.11 0.15 -0.04 6.97 7.15 3i9v11 GLN 288 HE22 -0.05 0.02 -0.24 -0.04 7.69 7.38 3i9v11 ALA 289 H -0.03 0.26 0.35 -0.55 8.40 8.43 3i9v11 ALA 289 HA 0.19 0.08 0.31 -0.75 4.34 4.17 3i9v11 ALA 289 HB3 0.14 0.05 -0.02 -0.04 1.41 1.54 3i9v11 ILE 290 H 0.09 0.70 0.30 -0.55 8.25 8.79 3i9v11 ILE 290 HA 0.05 0.30 1.01 -0.75 4.18 4.79 3i9v11 ILE 290 HB 0.14 0.02 -0.06 -0.04 1.89 1.95 3i9v11 ILE 290 HG12 0.07 0.03 0.02 -0.04 1.49 1.57 3i9v11 ILE 290 HG13 0.21 0.01 -0.41 -0.04 1.21 0.97 3i9v11 ILE 290 HG23 0.21 0.02 -0.35 -0.04 0.93 0.78 3i9v11 ILE 290 HD13 0.13 -0.01 -0.14 -0.04 0.88 0.81 3i9v11 ILE 291 H 0.08 0.51 0.25 -0.55 8.25 8.54 3i9v11 ILE 291 HA 0.09 0.18 0.69 -0.75 4.18 4.38 3i9v11 ILE 291 HB 0.06 -0.03 0.20 -0.04 1.89 2.08 3i9v11 ILE 291 HG12 0.04 -0.07 -0.20 -0.04 1.49 1.21 3i9v11 ILE 291 HG13 0.03 0.13 0.06 -0.04 1.21 1.39 3i9v11 ILE 291 HG23 0.07 0.03 -0.05 -0.04 0.93 0.94 3i9v11 ILE 291 HD13 0.02 0.00 -0.05 -0.04 0.88 0.82 3i9v11 PRO 292 HA 0.36 0.01 0.20 -0.51 4.44 4.50 3i9v11 PRO 292 HB2 0.21 0.01 0.04 -0.04 2.28 2.49 3i9v11 PRO 292 HB3 0.33 0.03 0.04 -0.04 2.02 2.37 3i9v11 PRO 292 HG2 0.11 -0.19 0.06 -0.04 2.03 1.97 3i9v11 PRO 292 HG3 0.10 0.11 0.08 -0.04 2.03 2.28 3i9v11 PRO 292 HD2 0.10 0.20 0.13 -0.04 3.68 4.07 3i9v11 PRO 292 HD3 0.11 0.24 0.22 -0.04 3.65 4.18 3i9v11 GLY 293 H 0.12 0.17 0.03 -0.55 8.43 8.21 3i9v11 GLY 293 HA2 0.09 0.03 0.59 -0.51 4.01 4.21 3i9v11 GLY 293 HA3 0.09 -0.62 0.51 -0.51 4.01 3.48 3i9v11 GLY 294 H 0.10 0.02 0.09 -0.55 8.43 8.09 3i9v11 GLY 294 HA2 0.06 0.38 0.90 -0.51 4.01 4.84 3i9v11 GLY 294 HA3 0.10 -0.13 0.43 -0.51 4.01 3.90 3i9v11 SER 295 H 0.03 0.11 0.09 -0.55 8.46 8.14 3i9v11 SER 295 HA 0.03 0.24 0.68 -0.75 4.49 4.69 3i9v11 SER 295 HB2 -0.16 0.04 0.03 -0.04 3.95 3.82 3i9v11 SER 295 HB3 -0.18 -0.08 0.09 -0.04 3.93 3.72 3i9v11 SER 296 H 0.17 -0.10 -0.01 -0.55 8.46 7.97 3i9v11 SER 296 HA 0.29 0.31 0.37 -0.75 4.49 4.71 3i9v11 SER 296 HB2 0.26 -0.12 0.02 -0.04 3.95 4.07 3i9v11 SER 296 HB3 0.33 0.03 0.06 -0.04 3.93 4.31 3i9v11 THR 297 H 0.14 -0.04 -0.70 -0.55 8.28 7.13 3i9v11 THR 297 HA 0.10 0.17 0.57 -0.75 4.39 4.47 3i9v11 THR 297 HB 0.07 0.15 0.04 -0.04 4.32 4.53 3i9v11 THR 297 HG23 0.07 -0.06 -0.08 -0.04 1.22 1.11 3i9v11 PRO 298 HA 0.13 0.11 0.28 -0.51 4.44 4.45 3i9v11 PRO 298 HB2 0.05 0.02 -0.12 -0.04 2.28 2.19 3i9v11 PRO 298 HB3 0.11 0.02 -0.00 -0.04 2.02 2.11 3i9v11 PRO 298 HG2 -0.12 0.20 0.02 -0.04 2.03 2.08 3i9v11 PRO 298 HG3 0.05 -0.01 -0.11 -0.04 2.03 1.91 3i9v11 PRO 298 HD2 -0.04 -0.07 0.16 -0.04 3.68 3.69 3i9v11 PRO 298 HD3 -0.02 0.14 0.18 -0.04 3.65 3.90 3i9v11 PRO 299 HA 0.07 0.13 0.48 -0.51 4.44 4.61 3i9v11 PRO 299 HB2 0.06 -0.01 -0.14 -0.04 2.28 2.15 3i9v11 PRO 299 HB3 0.04 -0.02 -0.05 -0.04 2.02 1.94 3i9v11 PRO 299 HG2 0.17 0.12 -0.14 -0.04 2.03 2.14 3i9v11 PRO 299 HG3 0.07 -0.01 -0.04 -0.04 2.03 2.01 3i9v11 PRO 299 HD2 0.15 0.04 0.12 -0.04 3.68 3.94 3i9v11 PRO 299 HD3 0.11 0.16 0.14 -0.04 3.65 4.02 3i9v11 LEU 300 H 0.03 0.57 0.39 -0.55 8.37 8.81 3i9v11 LEU 300 HA -0.21 0.22 0.91 -0.75 4.35 4.52 3i9v11 LEU 300 HB2 -0.07 -0.04 0.19 -0.04 1.64 1.67 3i9v11 LEU 300 HB3 -0.12 0.00 0.11 -0.04 1.64 1.59 3i9v11 LEU 300 HG -0.01 0.06 -0.05 -0.04 1.64 1.60 3i9v11 LEU 300 HD13 -0.10 -0.04 0.03 -0.04 0.93 0.78 3i9v11 LEU 300 HD23 -0.05 0.04 0.08 -0.04 0.89 0.93 3i9v11 PRO 301 HA 0.17 0.21 0.49 -0.51 4.44 4.81 3i9v11 PRO 301 HB2 -0.04 -0.10 -0.05 -0.04 2.28 2.06 3i9v11 PRO 301 HB3 -0.07 0.08 0.14 -0.04 2.02 2.13 3i9v11 PRO 301 HG2 -0.09 0.01 0.11 -0.04 2.03 2.01 3i9v11 PRO 301 HG3 -0.38 0.12 0.14 -0.04 2.03 1.87 3i9v11 PRO 301 HD2 -0.17 0.04 0.22 -0.04 3.68 3.73 3i9v11 PRO 301 HD3 -0.59 0.26 0.31 -0.04 3.65 3.59 3i9v11 PHE 302 H 0.24 0.36 -0.01 -0.55 8.34 8.38 3i9v11 PHE 302 HA -0.00 0.10 0.48 -0.75 4.62 4.45 3i9v11 PHE 302 HB2 0.05 -0.11 -0.40 -0.04 3.15 2.64 3i9v11 PHE 302 HB3 0.04 0.11 0.07 -0.04 3.06 3.25 3i9v11 PHE 302 HD2 0.03 0.06 -0.07 -0.04 7.28 7.26 3i9v11 PHE 302 HE2 0.05 0.00 -0.05 -0.04 7.38 7.34 3i9v11 PHE 302 HZ 0.02 0.03 -0.05 -0.04 7.32 7.28 3i9v11 THR 303 H -0.11 0.42 0.12 -0.55 8.28 8.16 3i9v11 THR 303 HA -0.12 0.24 0.79 -0.75 4.39 4.55 3i9v11 THR 303 HB -0.06 -0.02 0.08 -0.04 4.32 4.28 3i9v11 THR 303 HG23 -0.03 0.07 -0.30 -0.04 1.22 0.92 3i9v11 GLU 304 H -0.11 0.22 0.17 -0.55 8.60 8.34 3i9v11 GLU 304 HA -0.15 0.12 0.47 -0.75 4.29 3.97 3i9v11 GLU 304 HB2 -0.07 -0.02 0.12 -0.04 2.09 2.08 3i9v11 GLU 304 HB3 -0.08 0.06 0.02 -0.04 1.99 1.94 3i9v11 GLU 304 HG2 -0.09 -0.02 0.11 -0.04 2.34 2.30 3i9v11 GLU 304 HG3 -0.07 0.05 0.05 -0.04 2.34 2.34 3i9v11 GLU 305 H -0.08 0.11 -0.06 -0.55 8.60 8.03 3i9v11 GLU 305 HA -0.05 0.11 0.30 -0.75 4.29 3.89 3i9v11 GLU 305 HB2 -0.04 -0.02 0.09 -0.04 2.09 2.07 3i9v11 GLU 305 HB3 -0.05 0.02 -0.02 -0.04 1.99 1.90 3i9v11 GLU 305 HG2 -0.03 0.06 0.05 -0.04 2.34 2.38 3i9v11 GLU 305 HG3 -0.03 0.00 0.05 -0.04 2.34 2.32 3i9v11 VAL 306 H -0.13 0.05 -0.90 -0.55 8.24 6.71 3i9v11 VAL 306 HA -0.19 0.18 0.71 -0.75 4.13 4.08 3i9v11 VAL 306 HB -0.17 0.05 0.21 -0.04 2.12 2.16 3i9v11 VAL 306 HG13 -0.29 0.03 -0.11 -0.04 0.97 0.56 3i9v11 VAL 306 HG23 -0.11 0.08 0.00 -0.04 0.95 0.88 3i9v11 LEU 307 H -0.18 0.58 0.16 -0.55 8.37 8.38 3i9v11 LEU 307 HA -0.02 -0.05 0.41 -0.75 4.35 3.94 3i9v11 LEU 307 HB2 -0.14 0.07 0.25 -0.04 1.64 1.78 3i9v11 LEU 307 HB3 -0.03 -0.06 0.01 -0.04 1.64 1.52 3i9v11 LEU 307 HG -0.33 0.03 -0.01 -0.04 1.64 1.29 3i9v11 LEU 307 HD13 -0.27 -0.00 -0.11 -0.04 0.93 0.51 3i9v11 LEU 307 HD23 0.17 -0.02 -0.07 -0.04 0.89 0.92 3i9v11 ASP 308 H -0.07 0.35 -0.56 -0.55 8.40 7.57 3i9v11 ASP 308 HA 0.00 0.08 0.89 -0.75 4.63 4.85 3i9v11 ASP 308 HB2 -0.04 0.05 -0.01 -0.04 2.71 2.67 3i9v11 ASP 308 HB3 -0.02 -0.01 0.11 -0.04 2.70 2.74 3i9v11 THR 309 H -0.04 0.57 -0.28 -0.55 8.28 7.99 3i9v11 THR 309 HA 0.03 0.14 0.59 -0.75 4.39 4.40 3i9v11 THR 309 HB -0.05 -0.10 0.01 -0.04 4.32 4.14 3i9v11 THR 309 HG23 0.09 0.01 -0.04 -0.04 1.22 1.23 3i9v11 PRO 310 HA -0.07 0.18 0.38 -0.51 4.44 4.42 3i9v11 PRO 310 HB2 -0.53 -0.19 0.09 -0.04 2.28 1.61 3i9v11 PRO 310 HB3 -0.26 0.18 0.12 -0.04 2.02 2.02 3i9v11 PRO 310 HG2 -1.08 -0.06 0.11 -0.04 2.03 0.96 3i9v11 PRO 310 HG3 -0.21 0.09 0.10 -0.04 2.03 1.97 3i9v11 PRO 310 HD2 -0.04 -0.03 0.18 -0.04 3.68 3.75 3i9v11 PRO 310 HD3 0.01 0.20 0.28 -0.04 3.65 4.10 3i9v11 MET 311 H -0.12 0.47 0.15 -0.55 8.47 8.42 3i9v11 MET 311 HA 0.18 -0.05 0.24 -0.75 4.52 4.14 3i9v11 MET 311 HB2 -0.19 -0.04 0.11 -0.04 2.15 1.99 3i9v11 MET 311 HB3 -0.43 -0.05 -0.01 -0.04 2.03 1.51 3i9v11 MET 311 HG2 -1.16 -0.08 0.04 -0.04 2.63 1.39 3i9v11 MET 311 HG3 -0.43 0.69 0.24 -0.04 2.56 3.02 3i9v11 MET 311 HE3 -1.21 -0.01 -0.04 -0.04 2.10 0.80 3i9v11 SER 312 H 0.18 0.12 0.33 -0.55 8.46 8.54 3i9v11 SER 312 HA 0.05 0.25 0.81 -0.75 4.49 4.85 3i9v11 SER 312 HB2 0.06 -0.06 0.11 -0.04 3.95 4.03 3i9v11 SER 312 HB3 -0.03 0.17 -0.28 -0.04 3.93 3.75 3i9v11 TYR 313 H 0.10 0.28 0.11 -0.55 8.29 8.23 3i9v11 TYR 313 HA 0.04 0.04 0.49 -0.75 4.56 4.37 3i9v11 TYR 313 HB2 0.02 0.01 0.06 -0.04 3.06 3.10 3i9v11 TYR 313 HB3 0.01 0.08 0.24 -0.04 2.98 3.27 3i9v11 TYR 313 HD2 0.01 -0.05 -0.02 -0.04 7.15 7.04 3i9v11 TYR 313 HE2 -0.00 -0.01 -0.08 -0.04 6.85 6.71 3i9v11 GLU 314 H 0.19 0.17 -0.75 -0.55 8.60 7.65 3i9v11 GLU 314 HA 0.04 0.18 0.68 -0.75 4.29 4.43 3i9v11 GLU 314 HB2 -0.05 0.07 -0.10 -0.04 2.09 1.96 3i9v11 GLU 314 HB3 0.05 0.20 -0.17 -0.04 1.99 2.03 3i9v11 GLU 314 HG2 0.22 -0.22 -0.22 -0.04 2.34 2.07 3i9v11 GLU 314 HG3 0.15 0.09 -0.07 -0.04 2.34 2.47 3i9v11 HIS 315 H 0.33 0.11 0.04 -0.55 8.41 8.34 3i9v11 HIS 315 HA 0.02 0.15 0.45 -0.75 4.63 4.50 3i9v11 HIS 315 HB2 0.07 0.12 0.17 -0.04 3.26 3.59 3i9v11 HIS 315 HB3 0.05 0.06 0.05 -0.04 3.20 3.32 3i9v11 HIS 315 HD2 0.01 0.05 0.07 -0.04 6.97 7.05 3i9v11 HIS 315 HE1 -0.01 -0.08 0.02 -0.04 7.75 7.64 3i9v11 LEU 316 H 0.18 0.02 -0.13 -0.55 8.37 7.90 3i9v11 LEU 316 HA 0.11 0.18 0.39 -0.75 4.35 4.27 3i9v11 LEU 316 HB2 0.17 0.34 0.15 -0.04 1.64 2.26 3i9v11 LEU 316 HB3 0.12 -0.09 -0.31 -0.04 1.64 1.32 3i9v11 LEU 316 HG 0.30 0.04 -0.13 -0.04 1.64 1.81 3i9v11 LEU 316 HD13 0.25 -0.08 -0.07 -0.04 0.93 0.99 3i9v11 LEU 316 HD23 0.36 0.03 -0.14 -0.04 0.89 1.10 3i9v11 GLN 317 H 0.07 -0.07 -0.23 -0.55 8.47 7.69 3i9v11 GLN 317 HA -0.04 0.28 0.38 -0.75 4.36 4.23 3i9v11 GLN 317 HB2 -0.01 -0.00 -0.02 -0.04 2.15 2.08 3i9v11 GLN 317 HB3 0.02 -0.12 0.06 -0.04 2.02 1.93 3i9v11 GLN 317 HG2 -0.02 0.00 0.02 -0.04 2.40 2.36 3i9v11 GLN 317 HG3 -0.03 0.05 -0.21 -0.04 2.39 2.16 3i9v11 GLN 317 HE21 -0.05 -0.01 -0.04 -0.04 6.97 6.83 3i9v11 GLN 317 HE22 -0.03 -0.01 -0.12 -0.04 7.69 7.48 3i9v11 ALA 318 H -0.01 0.60 -0.21 -0.55 8.40 8.23 3i9v11 ALA 318 HA -0.02 0.08 0.46 -0.75 4.34 4.10 3i9v11 ALA 318 HB3 -0.04 -0.01 0.12 -0.04 1.41 1.44 3i9v11 LYS 319 H 0.00 0.58 -1.07 -0.55 8.42 7.38 3i9v11 LYS 319 HA 0.00 0.13 0.87 -0.75 4.32 4.57 3i9v11 LYS 319 HB2 0.03 0.45 0.06 -0.04 1.87 2.36 3i9v11 LYS 319 HB3 0.01 -0.10 0.13 -0.04 1.79 1.79 3i9v11 LYS 319 HG2 -0.04 -0.10 0.09 -0.04 1.46 1.37 3i9v11 LYS 319 HG3 -0.01 -0.04 0.18 -0.04 1.46 1.56 3i9v11 LYS 319 HD2 0.00 0.05 0.07 -0.04 1.69 1.77 3i9v11 LYS 319 HD3 0.02 0.07 0.03 -0.04 1.68 1.76 3i9v11 LYS 319 HE2 -0.05 0.02 0.06 -0.04 2.99 2.99 3i9v11 LYS 319 HE3 -0.04 -0.08 0.01 -0.04 2.99 2.84 3i9v11 GLY 320 H -0.01 0.26 -0.07 -0.55 8.43 8.06 3i9v11 GLY 320 HA2 -0.00 -0.05 0.39 -0.51 4.01 3.84 3i9v11 GLY 320 HA3 0.05 0.13 0.72 -0.51 4.01 4.40 3i9v11 SER 321 H 0.00 0.21 -0.55 -0.55 8.46 7.57 3i9v11 SER 321 HA -0.07 0.11 0.51 -0.75 4.49 4.29 3i9v11 SER 321 HB2 0.02 0.14 0.02 -0.04 3.95 4.09 3i9v11 SER 321 HB3 0.04 -0.11 0.07 -0.04 3.93 3.89 3i9v11 MET 322 H 0.03 0.26 0.09 -0.55 8.47 8.31 3i9v11 MET 322 HA 0.00 -0.02 0.28 -0.75 4.52 4.02 3i9v11 MET 322 HB2 -0.09 0.01 -0.09 -0.04 2.15 1.94 3i9v11 MET 322 HB3 -0.15 0.27 -0.13 -0.04 2.03 1.97 3i9v11 MET 322 HG2 -0.10 -0.09 -0.23 -0.04 2.63 2.17 3i9v11 MET 322 HG3 -0.04 -0.14 -0.29 -0.04 2.56 2.04 3i9v11 MET 322 HE3 -0.83 0.03 -0.09 -0.04 2.10 1.18 3i9v11 LEU 323 H 0.05 0.20 0.01 -0.55 8.37 8.08 3i9v11 LEU 323 HA 0.13 0.09 0.72 -0.75 4.35 4.54 3i9v11 LEU 323 HB2 0.27 0.01 -0.24 -0.04 1.64 1.65 3i9v11 LEU 323 HB3 0.38 0.06 0.00 -0.04 1.64 2.04 3i9v11 LEU 323 HG 0.19 0.02 -0.25 -0.04 1.64 1.56 3i9v11 LEU 323 HD13 0.21 0.01 -0.25 -0.04 0.93 0.85 3i9v11 LEU 323 HD23 0.12 0.02 -0.43 -0.04 0.89 0.56 3i9v11 GLY 324 H 0.08 -0.01 0.11 -0.55 8.43 8.07 3i9v11 GLY 324 HA2 0.03 0.32 0.46 -0.51 4.01 4.31 3i9v11 GLY 324 HA3 0.07 -0.16 0.34 -0.51 4.01 3.76 3i9v11 THR 325 H 0.06 0.04 -0.18 -0.55 8.28 7.65 3i9v11 THR 325 HA 0.03 0.25 0.49 -0.75 4.39 4.41 3i9v11 THR 325 HB 0.02 -0.05 0.10 -0.04 4.32 4.35 3i9v11 THR 325 HG23 0.08 -0.01 -0.10 -0.04 1.22 1.14 3i9v11 GLY 326 H 0.04 -0.12 -0.19 -0.55 8.43 7.62 3i9v11 GLY 326 HA2 0.06 0.05 0.28 -0.51 4.01 3.89 3i9v11 GLY 326 HA3 -0.14 0.13 0.55 -0.51 4.01 4.04 3i9v11 GLY 327 H 0.02 0.01 -0.09 -0.55 8.43 7.83 3i9v11 GLY 327 HA2 -0.06 0.13 0.97 -0.51 4.01 4.53 3i9v11 GLY 327 HA3 -0.01 -0.12 0.33 -0.51 4.01 3.71 3i9v11 VAL 328 H 0.04 0.42 0.31 -0.55 8.24 8.46 3i9v11 VAL 328 HA 0.10 0.57 0.72 -0.75 4.13 4.76 3i9v11 VAL 328 HB 0.08 -0.12 0.07 -0.04 2.12 2.10 3i9v11 VAL 328 HG13 0.16 -0.04 -0.19 -0.04 0.97 0.86 3i9v11 VAL 328 HG23 0.02 0.04 0.03 -0.04 0.95 1.00 3i9v11 ILE 329 H 0.08 0.27 0.27 -0.55 8.25 8.32 3i9v11 ILE 329 HA 0.06 0.33 0.85 -0.75 4.18 4.66 3i9v11 ILE 329 HB 0.03 -0.07 0.08 -0.04 1.89 1.88 3i9v11 ILE 329 HG12 0.07 0.18 -0.32 -0.04 1.49 1.38 3i9v11 ILE 329 HG13 0.05 0.17 -0.33 -0.04 1.21 1.06 3i9v11 ILE 329 HG23 0.02 -0.00 -0.19 -0.04 0.93 0.71 3i9v11 ILE 329 HD13 0.02 -0.06 -0.16 -0.04 0.88 0.64 3i9v11 LEU 330 H 0.02 0.47 0.30 -0.55 8.37 8.61 3i9v11 LEU 330 HA -0.02 0.18 0.98 -0.75 4.35 4.74 3i9v11 LEU 330 HB2 -0.08 -0.03 -0.05 -0.04 1.64 1.44 3i9v11 LEU 330 HB3 -0.17 -0.01 0.01 -0.04 1.64 1.43 3i9v11 LEU 330 HG 0.01 0.08 -0.04 -0.04 1.64 1.64 3i9v11 LEU 330 HD13 -0.07 -0.00 -0.18 -0.04 0.93 0.64 3i9v11 LEU 330 HD23 0.06 -0.01 -0.23 -0.04 0.89 0.67 3i9v11 ILE 331 H -0.07 0.64 0.38 -0.55 8.25 8.64 3i9v11 ILE 331 HA -0.05 0.21 0.88 -0.75 4.18 4.47 3i9v11 ILE 331 HB -0.06 -0.11 0.09 -0.04 1.89 1.77 3i9v11 ILE 331 HG12 -0.03 0.04 -0.37 -0.04 1.49 1.09 3i9v11 ILE 331 HG13 -0.02 0.10 -0.14 -0.04 1.21 1.10 3i9v11 ILE 331 HG23 -0.06 0.03 -0.13 -0.04 0.93 0.72 3i9v11 ILE 331 HD13 -0.05 -0.01 -0.13 -0.04 0.88 0.66 3i9v11 PRO 332 HA -0.08 0.17 0.70 -0.51 4.44 4.73 3i9v11 PRO 332 HB2 -0.02 -0.13 0.02 -0.04 2.28 2.11 3i9v11 PRO 332 HB3 -0.04 0.07 0.08 -0.04 2.02 2.09 3i9v11 PRO 332 HG2 -0.02 -0.03 0.11 -0.04 2.03 2.05 3i9v11 PRO 332 HG3 -0.02 0.10 0.07 -0.04 2.03 2.14 3i9v11 PRO 332 HD2 -0.04 0.11 0.29 -0.04 3.68 4.00 3i9v11 PRO 332 HD3 -0.05 0.21 0.12 -0.04 3.65 3.89 3i9v11 GLU 333 H -0.02 0.49 0.18 -0.55 8.60 8.70 3i9v11 GLU 333 HA 0.02 0.06 0.37 -0.75 4.29 3.98 3i9v11 GLU 333 HB2 0.02 0.01 0.03 -0.04 2.09 2.11 3i9v11 GLU 333 HB3 0.04 0.00 0.02 -0.04 1.99 2.00 3i9v11 GLU 333 HG2 0.07 -0.02 -0.05 -0.04 2.34 2.29 3i9v11 GLU 333 HG3 0.03 0.01 -0.38 -0.04 2.34 1.95 3i9v11 ARG 334 H -0.00 0.05 -0.49 -0.55 8.46 7.46 3i9v11 ARG 334 HA 0.01 0.04 0.24 -0.75 4.34 3.87 3i9v11 ARG 334 HB2 0.01 -0.04 0.07 -0.04 1.90 1.90 3i9v11 ARG 334 HB3 0.00 0.03 -0.04 -0.04 1.80 1.76 3i9v11 ARG 334 HG2 0.01 0.01 0.03 -0.04 1.67 1.68 3i9v11 ARG 334 HG3 0.01 -0.01 0.08 -0.04 1.67 1.71 3i9v11 ARG 334 HD2 0.02 -0.01 0.02 -0.04 3.22 3.20 3i9v11 ARG 334 HD3 0.01 -0.02 0.03 -0.04 3.22 3.20 3i9v11 VAL 335 H -0.01 0.50 -0.62 -0.55 8.24 7.57 3i9v11 VAL 335 HA -0.00 0.18 0.86 -0.75 4.13 4.42 3i9v11 VAL 335 HB -0.02 0.10 0.03 -0.04 2.12 2.19 3i9v11 VAL 335 HG13 -0.02 -0.04 -0.24 -0.04 0.97 0.63 3i9v11 VAL 335 HG23 -0.01 -0.01 -0.13 -0.04 0.95 0.77 3i9v11 SER 336 H 0.00 0.20 0.18 -0.55 8.46 8.29 3i9v11 SER 336 HA -0.02 0.18 0.58 -0.75 4.49 4.47 3i9v11 SER 336 HB2 0.00 0.17 0.18 -0.04 3.95 4.26 3i9v11 SER 336 HB3 0.01 -0.08 0.25 -0.04 3.93 4.06 3i9v11 MET 337 H -0.10 0.26 0.19 -0.55 8.47 8.28 3i9v11 MET 337 HA -0.13 0.07 0.38 -0.75 4.52 4.08 3i9v11 MET 337 HB2 -0.25 -0.02 0.11 -0.04 2.15 1.94 3i9v11 MET 337 HB3 -0.32 0.04 -0.05 -0.04 2.03 1.65 3i9v11 MET 337 HG2 -0.34 0.06 0.01 -0.04 2.63 2.32 3i9v11 MET 337 HG3 -1.44 0.06 -0.01 -0.04 2.56 1.12 3i9v11 MET 337 HE3 -0.18 0.01 -0.16 -0.04 2.10 1.73 3i9v11 VAL 338 H -0.18 0.09 -0.36 -0.55 8.24 7.24 3i9v11 VAL 338 HA -0.23 0.08 0.44 -0.75 4.13 3.67 3i9v11 VAL 338 HB -0.11 -0.01 0.05 -0.04 2.12 2.00 3i9v11 VAL 338 HG13 0.01 0.02 -0.18 -0.04 0.97 0.78 3i9v11 VAL 338 HG23 -0.91 0.01 -0.11 -0.04 0.95 -0.09 3i9v11 ASP 339 H 0.05 0.15 -0.09 -0.55 8.40 7.96 3i9v11 ASP 339 HA 0.36 0.03 0.48 -0.75 4.63 4.75 3i9v11 ASP 339 HB2 0.11 -0.01 0.17 -0.04 2.71 2.94 3i9v11 ASP 339 HB3 0.04 0.15 0.17 -0.04 2.70 3.01 3i9v11 ALA 340 H 0.01 0.47 -0.12 -0.55 8.40 8.22 3i9v11 ALA 340 HA -0.01 0.03 0.33 -0.75 4.34 3.93 3i9v11 ALA 340 HB3 -0.03 0.06 -0.00 -0.04 1.41 1.40 3i9v11 MET 341 H 0.09 0.37 -0.49 -0.55 8.47 7.89 3i9v11 MET 341 HA -0.01 0.00 0.65 -0.75 4.52 4.41 3i9v11 MET 341 HB2 0.07 0.04 -0.06 -0.04 2.15 2.17 3i9v11 MET 341 HB3 0.02 -0.03 -0.03 -0.04 2.03 1.94 3i9v11 MET 341 HG2 0.11 0.31 0.06 -0.04 2.63 3.07 3i9v11 MET 341 HG3 0.27 -0.03 -0.04 -0.04 2.56 2.72 3i9v11 MET 341 HE3 0.12 -0.01 -0.25 -0.04 2.10 1.92 3i9v11 TRP 342 H 0.22 0.61 0.09 -0.55 7.97 8.34 3i9v11 TRP 342 HA -0.28 -0.04 0.45 -0.75 4.62 4.00 3i9v11 TRP 342 HB2 0.14 0.06 0.10 -0.04 3.23 3.49 3i9v11 TRP 342 HB3 -0.00 0.14 0.21 -0.04 3.23 3.53 3i9v11 TRP 342 HD1 0.06 -0.03 -0.01 -0.04 7.22 7.19 3i9v11 TRP 342 HE1 0.05 0.08 -0.08 -0.04 10.20 10.21 3i9v11 TRP 342 HE3 -0.03 -0.05 0.20 -0.04 7.59 7.67 3i9v11 TRP 342 HZ2 0.05 0.02 -0.03 -0.04 7.44 7.44 3i9v11 TRP 342 HZ3 0.05 -0.04 0.06 -0.04 7.13 7.17 3i9v11 TRP 342 HH2 0.05 0.00 -0.00 -0.04 7.19 7.20 3i9v11 ASN 343 H 0.09 0.68 -0.32 -0.55 8.53 8.43 3i9v11 ASN 343 HA -0.13 0.03 0.37 -0.75 4.76 4.27 3i9v11 ASN 343 HB2 -0.12 -0.00 0.02 -0.04 2.88 2.74 3i9v11 ASN 343 HB3 -0.04 0.27 0.10 -0.04 2.79 3.08 3i9v11 ASN 343 HD21 -0.10 -0.04 -0.07 -0.04 7.03 6.77 3i9v11 ASN 343 HD22 -0.15 0.01 -0.05 -0.04 7.74 7.52 3i9v11 LEU 344 H -0.01 0.50 0.15 -0.55 8.37 8.46 3i9v11 LEU 344 HA -0.06 -0.03 0.27 -0.75 4.35 3.78 3i9v11 LEU 344 HB2 0.04 0.00 0.18 -0.04 1.64 1.83 3i9v11 LEU 344 HB3 0.15 -0.00 0.00 -0.04 1.64 1.75 3i9v11 LEU 344 HG -0.04 0.17 0.11 -0.04 1.64 1.84 3i9v11 LEU 344 HD13 0.04 0.02 -0.02 -0.04 0.93 0.93 3i9v11 LEU 344 HD23 -0.22 -0.04 0.01 -0.04 0.89 0.60 3i9v11 THR 345 H -0.01 0.84 -0.26 -0.55 8.28 8.30 3i9v11 THR 345 HA 0.36 -0.00 0.56 -0.75 4.39 4.56 3i9v11 THR 345 HB 0.07 -0.10 0.02 -0.04 4.32 4.27 3i9v11 THR 345 HG23 -0.07 0.03 -0.02 -0.04 1.22 1.12 3i9v11 ARG 346 H 0.14 0.57 -0.07 -0.55 8.46 8.55 3i9v11 ARG 346 HA 0.16 0.03 0.76 -0.75 4.34 4.53 3i9v11 ARG 346 HB2 0.10 -0.06 0.17 -0.04 1.90 2.06 3i9v11 ARG 346 HB3 0.35 0.07 0.18 -0.04 1.80 2.36 3i9v11 ARG 346 HG2 -0.07 0.21 0.25 -0.04 1.67 2.03 3i9v11 ARG 346 HG3 -0.08 -0.08 -0.15 -0.04 1.67 1.32 3i9v11 ARG 346 HD2 -1.00 0.02 -0.08 -0.04 3.22 2.12 3i9v11 ARG 346 HD3 -0.41 -0.06 -0.05 -0.04 3.22 2.66 3i9v11 PHE 347 H 0.15 0.45 -0.40 -0.55 8.34 7.98 3i9v11 PHE 347 HA -0.11 0.08 0.70 -0.75 4.62 4.53 3i9v11 PHE 347 HB2 -0.20 -0.03 0.04 -0.04 3.15 2.92 3i9v11 PHE 347 HB3 -0.27 0.42 0.22 -0.04 3.06 3.39 3i9v11 PHE 347 HD2 -0.87 0.07 -0.08 -0.04 7.28 6.35 3i9v11 PHE 347 HE2 -0.77 -0.02 -0.03 -0.04 7.38 6.52 3i9v11 PHE 347 HZ -1.00 -0.06 -0.00 -0.04 7.32 6.22 3i9v11 TYR 348 H 0.25 0.42 0.01 -0.55 8.29 8.42 3i9v11 TYR 348 HA -0.17 -0.03 0.41 -0.75 4.56 4.02 3i9v11 TYR 348 HB2 0.09 0.13 0.14 -0.04 3.06 3.38 3i9v11 TYR 348 HB3 0.06 -0.10 -0.04 -0.04 2.98 2.86 3i9v11 TYR 348 HD2 0.15 -0.01 -0.07 -0.04 7.15 7.18 3i9v11 TYR 348 HE2 0.14 -0.03 -0.12 -0.04 6.85 6.79 3i9v11 ALA 349 H 0.14 0.52 -0.25 -0.55 8.40 8.27 3i9v11 ALA 349 HA 0.09 -0.05 0.29 -0.75 4.34 3.90 3i9v11 ALA 349 HB3 0.11 0.06 0.11 -0.04 1.41 1.66 3i9v11 HIS 350 H 0.05 0.26 -0.52 -0.55 8.41 7.65 3i9v11 HIS 350 HA -0.06 0.05 0.38 -0.75 4.63 4.25 3i9v11 HIS 350 HB2 -0.11 0.11 0.15 -0.04 3.26 3.37 3i9v11 HIS 350 HB3 -0.28 0.18 0.13 -0.04 3.20 3.18 3i9v11 HIS 350 HD2 -0.19 -0.09 -0.10 -0.04 6.97 6.54 3i9v11 HIS 350 HE1 -0.04 -0.01 0.01 -0.04 7.75 7.66 3i9v11 GLU 351 H -0.14 0.25 -0.43 -0.55 8.60 7.74 3i9v11 GLU 351 HA -0.17 0.11 0.23 -0.75 4.29 3.70 3i9v11 GLU 351 HB2 -0.32 0.10 0.09 -0.04 2.09 1.92 3i9v11 GLU 351 HB3 0.04 -0.25 0.08 -0.04 1.99 1.81 3i9v11 GLU 351 HG2 -0.35 0.16 -0.02 -0.04 2.34 2.08 3i9v11 GLU 351 HG3 -0.89 -0.02 0.01 -0.04 2.34 1.40 3i9v11 SER 352 H -0.02 0.42 -0.26 -0.55 8.46 8.05 3i9v11 SER 352 HA 0.04 -0.15 0.44 -0.75 4.49 4.06 3i9v11 SER 352 HB2 0.04 0.02 0.01 -0.04 3.95 3.98 3i9v11 SER 352 HB3 0.00 0.31 0.05 -0.04 3.93 4.25 3i9v11 CYS 353 H 0.01 -0.02 0.22 -0.55 8.50 8.15 3i9v11 CYS 353 HA -0.04 0.25 0.49 -0.75 4.58 4.53 3i9v11 CYS 353 HB2 -0.03 0.15 0.12 -0.04 2.97 3.18 3i9v11 CYS 353 HB3 -0.01 -0.01 0.21 -0.04 2.97 3.11 3i9v11 GLY 354 H -0.02 -0.08 -0.20 -0.55 8.43 7.59 3i9v11 GLY 354 HA2 -0.02 -0.01 0.23 -0.51 4.01 3.71 3i9v11 GLY 354 HA3 -0.03 0.28 0.51 -0.51 4.01 4.26 3i9v11 LYS 355 H -0.04 -0.03 -0.20 -0.55 8.42 7.60 3i9v11 LYS 355 HA -0.09 0.20 0.45 -0.75 4.32 4.13 3i9v11 LYS 355 HB2 -0.11 0.08 0.03 -0.04 1.87 1.83 3i9v11 LYS 355 HB3 -0.10 -0.15 0.10 -0.04 1.79 1.60 3i9v11 LYS 355 HG2 -0.33 -0.06 -0.16 -0.04 1.46 0.87 3i9v11 LYS 355 HG3 -0.23 0.06 0.04 -0.04 1.46 1.28 3i9v11 LYS 355 HD2 -0.25 0.03 -0.00 -0.04 1.69 1.43 3i9v11 LYS 355 HD3 -0.44 -0.05 -0.01 -0.04 1.68 1.14 3i9v11 LYS 355 HE2 -1.39 -0.05 -0.04 -0.04 2.99 1.46 3i9v11 LYS 355 HE3 -0.45 -0.00 -0.01 -0.04 2.99 2.48 3i9v11 CYS 356 H -0.02 -0.07 -0.01 -0.55 8.50 7.84 3i9v11 CYS 356 HA -0.03 0.27 0.74 -0.75 4.58 4.81 3i9v11 CYS 356 HB2 0.01 -0.23 0.13 -0.04 2.97 2.85 3i9v11 CYS 356 HB3 0.01 0.13 -0.01 -0.04 2.97 3.06 3i9v11 THR 357 H -0.01 0.25 0.19 -0.55 8.28 8.16 3i9v11 THR 357 HA -0.00 0.06 0.42 -0.75 4.39 4.12 3i9v11 THR 357 HB 0.00 0.09 0.12 -0.04 4.32 4.49 3i9v11 THR 357 HG23 0.00 0.01 0.03 -0.04 1.22 1.22 3i9v11 PRO 358 HA 0.02 0.10 0.35 -0.51 4.44 4.40 3i9v11 PRO 358 HB2 -0.01 0.02 -0.00 -0.04 2.28 2.25 3i9v11 PRO 358 HB3 0.00 0.21 0.15 -0.04 2.02 2.34 3i9v11 PRO 358 HG2 0.01 -0.21 0.10 -0.04 2.03 1.88 3i9v11 PRO 358 HG3 0.01 0.39 0.22 -0.04 2.03 2.60 3i9v11 PRO 358 HD2 0.01 -0.12 0.11 -0.04 3.68 3.63 3i9v11 PRO 358 HD3 0.01 0.23 0.17 -0.04 3.65 4.02 3i9v11 CYS 359 H 0.01 0.09 -0.32 -0.55 8.50 7.72 3i9v11 CYS 359 HA 0.00 0.11 0.82 -0.75 4.58 4.76 3i9v11 CYS 359 HB2 -0.01 -0.01 0.06 -0.04 2.97 2.97 3i9v11 CYS 359 HB3 0.01 -0.09 0.15 -0.04 2.97 2.99 3i9v11 ARG 360 H 0.00 0.40 0.07 -0.55 8.46 8.38 3i9v11 ARG 360 HA 0.01 0.07 0.40 -0.75 4.34 4.06 3i9v11 ARG 360 HB2 -0.01 -0.18 0.04 -0.04 1.90 1.71 3i9v11 ARG 360 HB3 -0.01 0.15 0.05 -0.04 1.80 1.96 3i9v11 ARG 360 HG2 -0.00 0.02 -0.35 -0.04 1.67 1.30 3i9v11 ARG 360 HG3 -0.01 0.03 -0.07 -0.04 1.67 1.58 3i9v11 ARG 360 HD2 -0.02 -0.00 -0.05 -0.04 3.22 3.10 3i9v11 ARG 360 HD3 -0.02 0.23 0.01 -0.04 3.22 3.39 3i9v11 GLU 361 H 0.01 0.35 0.06 -0.55 8.60 8.47 3i9v11 GLU 361 HA 0.02 0.09 0.45 -0.75 4.29 4.10 3i9v11 GLU 361 HB2 0.02 0.15 0.11 -0.04 2.09 2.33 3i9v11 GLU 361 HB3 0.02 -0.03 0.00 -0.04 1.99 1.94 3i9v11 GLU 361 HG2 0.00 -0.04 0.09 -0.04 2.34 2.35 3i9v11 GLU 361 HG3 0.00 -0.01 0.02 -0.04 2.34 2.31 3i9v11 GLY 362 H 0.04 0.25 -0.27 -0.55 8.43 7.90 3i9v11 GLY 362 HA2 0.10 -0.05 0.34 -0.51 4.01 3.89 3i9v11 GLY 362 HA3 0.04 0.70 0.49 -0.51 4.01 4.73 3i9v11 VAL 363 H 0.04 0.24 0.15 -0.55 8.24 8.12 3i9v11 VAL 363 HA 0.08 -0.01 0.69 -0.75 4.13 4.14 3i9v11 VAL 363 HB 0.03 -0.01 0.05 -0.04 2.12 2.15 3i9v11 VAL 363 HG13 0.00 0.05 0.15 -0.04 0.97 1.13 3i9v11 VAL 363 HG23 0.09 0.01 -0.25 -0.04 0.95 0.76 3i9v11 ALA 364 H 0.06 0.57 0.00 -0.55 8.40 8.48 3i9v11 ALA 364 HA 0.08 -0.04 0.39 -0.75 4.34 4.02 3i9v11 ALA 364 HB3 0.04 0.15 0.20 -0.04 1.41 1.75 3i9v11 GLY 365 H 0.07 0.14 -0.59 -0.55 8.43 7.50 3i9v11 GLY 365 HA2 0.04 0.09 0.67 -0.51 4.01 4.30 3i9v11 GLY 365 HA3 0.04 0.06 0.36 -0.51 4.01 3.96 3i9v11 PHE 366 H 0.19 0.40 0.13 -0.55 8.34 8.51 3i9v11 PHE 366 HA 0.01 0.01 0.39 -0.75 4.62 4.27 3i9v11 PHE 366 HB2 0.01 0.07 0.22 -0.04 3.15 3.40 3i9v11 PHE 366 HB3 0.01 -0.02 0.21 -0.04 3.06 3.22 3i9v11 PHE 366 HD2 -0.01 -0.01 -0.03 -0.04 7.28 7.20 3i9v11 PHE 366 HE2 -0.02 -0.02 -0.04 -0.04 7.38 7.27 3i9v11 PHE 366 HZ -0.02 -0.02 -0.04 -0.04 7.32 7.21 3i9v11 MET 367 H 0.18 0.42 0.16 -0.55 8.47 8.69 3i9v11 MET 367 HA 0.11 -0.07 0.31 -0.75 4.52 4.12 3i9v11 MET 367 HB2 0.13 0.17 0.25 -0.04 2.15 2.66 3i9v11 MET 367 HB3 0.21 -0.02 -0.01 -0.04 2.03 2.17 3i9v11 MET 367 HG2 0.02 -0.04 0.05 -0.04 2.63 2.63 3i9v11 MET 367 HG3 0.06 0.12 0.02 -0.04 2.56 2.71 3i9v11 MET 367 HE3 0.21 -0.00 -0.04 -0.04 2.10 2.22 3i9v11 VAL 368 H 0.16 0.56 -0.13 -0.55 8.24 8.28 3i9v11 VAL 368 HA 0.21 -0.04 0.32 -0.75 4.13 3.86 3i9v11 VAL 368 HB 0.21 -0.03 -0.03 -0.04 2.12 2.23 3i9v11 VAL 368 HG13 0.14 0.09 -0.03 -0.04 0.97 1.14 3i9v11 VAL 368 HG23 0.43 -0.01 -0.05 -0.04 0.95 1.28 3i9v11 ASN 369 H 0.13 0.48 -0.51 -0.55 8.53 8.08 3i9v11 ASN 369 HA 0.01 0.03 0.49 -0.75 4.76 4.54 3i9v11 ASN 369 HB2 0.09 0.37 0.24 -0.04 2.88 3.55 3i9v11 ASN 369 HB3 0.05 -0.13 -0.00 -0.04 2.79 2.66 3i9v11 ASN 369 HD21 0.03 -0.08 0.01 -0.04 7.03 6.94 3i9v11 ASN 369 HD22 0.02 0.17 0.01 -0.04 7.74 7.89 3i9v11 LEU 370 H 0.08 0.47 -0.03 -0.55 8.37 8.34 3i9v11 LEU 370 HA -0.04 -0.00 0.51 -0.75 4.35 4.06 3i9v11 LEU 370 HB2 -0.08 0.16 0.21 -0.04 1.64 1.89 3i9v11 LEU 370 HB3 -0.23 -0.05 -0.02 -0.04 1.64 1.31 3i9v11 LEU 370 HG -0.15 -0.06 0.02 -0.04 1.64 1.41 3i9v11 LEU 370 HD13 -0.02 0.01 0.06 -0.04 0.93 0.93 3i9v11 LEU 370 HD23 0.24 0.01 -0.16 -0.04 0.89 0.94 3i9v11 PHE 371 H 0.01 0.40 -0.02 -0.55 8.34 8.18 3i9v11 PHE 371 HA -0.28 -0.05 0.29 -0.75 4.62 3.82 3i9v11 PHE 371 HB2 -0.55 0.17 0.10 -0.04 3.15 2.83 3i9v11 PHE 371 HB3 -0.73 -0.03 0.01 -0.04 3.06 2.27 3i9v11 PHE 371 HD2 0.01 0.15 -0.02 -0.04 7.28 7.38 3i9v11 PHE 371 HE2 0.17 -0.01 -0.05 -0.04 7.38 7.45 3i9v11 PHE 371 HZ 0.13 -0.00 -0.06 -0.04 7.32 7.35 3i9v11 ALA 372 H -0.72 0.39 -0.47 -0.55 8.40 7.05 3i9v11 ALA 372 HA -0.81 0.00 0.29 -0.75 4.34 3.07 3i9v11 ALA 372 HB3 -0.13 0.09 0.11 -0.04 1.41 1.44 3i9v11 LYS 373 H -0.16 0.51 -0.06 -0.55 8.42 8.15 3i9v11 LYS 373 HA -0.03 0.02 0.22 -0.75 4.32 3.77 3i9v11 LYS 373 HB2 -0.04 0.09 0.17 -0.04 1.87 2.06 3i9v11 LYS 373 HB3 -0.07 -0.07 0.19 -0.04 1.79 1.80 3i9v11 LYS 373 HG2 -0.02 -0.09 -0.49 -0.04 1.46 0.82 3i9v11 LYS 373 HG3 -0.01 0.01 -0.04 -0.04 1.46 1.38 3i9v11 LYS 373 HD2 -0.01 0.02 0.00 -0.04 1.69 1.66 3i9v11 LYS 373 HD3 -0.02 -0.11 -0.00 -0.04 1.68 1.51 3i9v11 LYS 373 HE2 -0.01 0.36 0.02 -0.04 2.99 3.32 3i9v11 LYS 373 HE3 -0.00 0.01 0.00 -0.04 2.99 2.96 3i9v11 ILE 374 H -0.14 0.57 -0.03 -0.55 8.25 8.10 3i9v11 ILE 374 HA -0.04 -0.12 0.36 -0.75 4.18 3.63 3i9v11 ILE 374 HB -0.07 -0.11 0.04 -0.04 1.89 1.71 3i9v11 ILE 374 HG12 -0.04 0.07 -0.26 -0.04 1.49 1.23 3i9v11 ILE 374 HG13 -0.01 -0.03 0.01 -0.04 1.21 1.14 3i9v11 ILE 374 HG23 -0.20 0.16 -0.13 -0.04 0.93 0.72 3i9v11 ILE 374 HD13 0.06 -0.02 -0.07 -0.04 0.88 0.81 3i9v11 GLY 375 H -0.20 0.79 -0.32 -0.55 8.43 8.15 3i9v11 GLY 375 HA2 0.02 -0.03 0.48 -0.51 4.01 3.97 3i9v11 GLY 375 HA3 -0.05 0.04 0.32 -0.51 4.01 3.82 3i9v11 THR 376 H 0.01 0.37 -0.36 -0.55 8.28 7.75 3i9v11 THR 376 HA 0.10 0.13 0.90 -0.75 4.39 4.75 3i9v11 THR 376 HB 0.04 -0.03 -0.01 -0.04 4.32 4.28 3i9v11 THR 376 HG23 0.07 -0.02 0.06 -0.04 1.22 1.29 3i9v11 GLY 377 H 0.01 0.24 -0.19 -0.55 8.43 7.94 3i9v11 GLY 377 HA2 0.01 0.09 0.13 -0.51 4.01 3.73 3i9v11 GLY 377 HA3 0.02 0.16 0.01 -0.51 4.01 3.69 3i9v11 GLN 378 H 0.00 0.34 -0.05 -0.55 8.47 8.21 3i9v11 GLN 378 HA 0.01 0.21 0.70 -0.75 4.36 4.52 3i9v11 GLN 378 HB2 0.00 -0.03 -0.00 -0.04 2.15 2.08 3i9v11 GLN 378 HB3 0.01 -0.06 0.12 -0.04 2.02 2.04 3i9v11 GLN 378 HG2 0.02 0.06 -0.35 -0.04 2.40 2.08 3i9v11 GLN 378 HG3 0.02 -0.04 -0.04 -0.04 2.39 2.29 3i9v11 GLN 378 HE21 0.02 -0.06 -0.03 -0.04 6.97 6.86 3i9v11 GLN 378 HE22 0.02 0.14 -0.14 -0.04 7.69 7.67 3i9v11 GLY 379 H -0.00 0.07 -0.13 -0.55 8.43 7.82 3i9v11 GLY 379 HA2 -0.02 -0.04 0.24 -0.51 4.01 3.68 3i9v11 GLY 379 HA3 -0.02 0.01 0.27 -0.51 4.01 3.77 3i9v11 GLU 380 H -0.01 0.05 0.22 -0.55 8.60 8.31 3i9v11 GLU 380 HA -0.00 0.39 0.93 -0.75 4.29 4.86 3i9v11 GLU 380 HB2 -0.01 -0.06 0.11 -0.04 2.09 2.09 3i9v11 GLU 380 HB3 -0.01 -0.18 0.16 -0.04 1.99 1.93 3i9v11 GLU 380 HG2 -0.00 0.02 0.03 -0.04 2.34 2.35 3i9v11 GLU 380 HG3 -0.00 0.20 -0.25 -0.04 2.34 2.25 3i9v11 GLU 381 H -0.01 0.27 0.15 -0.55 8.60 8.47 3i9v11 GLU 381 HA -0.01 0.11 0.34 -0.75 4.29 3.98 3i9v11 GLU 381 HB2 -0.00 0.10 0.13 -0.04 2.09 2.27 3i9v11 GLU 381 HB3 -0.01 0.01 0.08 -0.04 1.99 2.03 3i9v11 GLU 381 HG2 -0.01 -0.01 -0.07 -0.04 2.34 2.21 3i9v11 GLU 381 HG3 -0.01 -0.01 0.08 -0.04 2.34 2.37 3i9v11 LYS 382 H -0.01 0.11 -0.15 -0.55 8.42 7.81 3i9v11 LYS 382 HA -0.02 0.12 0.46 -0.75 4.32 4.12 3i9v11 LYS 382 HB2 -0.01 0.03 -0.02 -0.04 1.87 1.83 3i9v11 LYS 382 HB3 -0.01 0.05 0.06 -0.04 1.79 1.85 3i9v11 LYS 382 HG2 -0.01 0.02 0.03 -0.04 1.46 1.46 3i9v11 LYS 382 HG3 -0.01 -0.05 0.06 -0.04 1.46 1.43 3i9v11 LYS 382 HD2 -0.00 0.02 0.01 -0.04 1.69 1.68 3i9v11 LYS 382 HD3 -0.00 0.04 0.01 -0.04 1.68 1.68 3i9v11 LYS 382 HE2 0.00 -0.02 -0.02 -0.04 2.99 2.91 3i9v11 LYS 382 HE3 0.00 0.04 -0.01 -0.04 2.99 2.98 3i9v11 ASP 383 H -0.02 0.21 -0.41 -0.55 8.40 7.63 3i9v11 ASP 383 HA -0.04 0.06 0.41 -0.75 4.63 4.31 3i9v11 ASP 383 HB2 -0.04 0.30 0.20 -0.04 2.71 3.13 3i9v11 ASP 383 HB3 -0.06 0.02 0.01 -0.04 2.70 2.62 3i9v11 VAL 384 H -0.05 0.30 -0.23 -0.55 8.24 7.70 3i9v11 VAL 384 HA -0.16 0.07 0.44 -0.75 4.13 3.73 3i9v11 VAL 384 HB -0.05 0.11 0.03 -0.04 2.12 2.16 3i9v11 VAL 384 HG13 -0.15 -0.01 0.01 -0.04 0.97 0.79 3i9v11 VAL 384 HG23 -0.00 0.02 -0.09 -0.04 0.95 0.84 3i9v11 GLU 385 H -0.07 0.23 -0.40 -0.55 8.60 7.81 3i9v11 GLU 385 HA -0.08 0.09 0.47 -0.75 4.29 4.01 3i9v11 GLU 385 HB2 -0.05 0.09 0.15 -0.04 2.09 2.24 3i9v11 GLU 385 HB3 -0.05 -0.01 0.03 -0.04 1.99 1.92 3i9v11 GLU 385 HG2 -0.04 -0.02 -0.01 -0.04 2.34 2.23 3i9v11 GLU 385 HG3 -0.04 0.28 0.12 -0.04 2.34 2.66 3i9v11 ASN 386 H -0.08 0.47 0.00 -0.55 8.53 8.37 3i9v11 ASN 386 HA -0.12 0.06 0.49 -0.75 4.76 4.44 3i9v11 ASN 386 HB2 -0.13 0.04 0.15 -0.04 2.88 2.90 3i9v11 ASN 386 HB3 -0.24 0.00 -0.03 -0.04 2.79 2.48 3i9v11 ASN 386 HD21 0.02 -0.04 -0.06 -0.04 7.03 6.90 3i9v11 ASN 386 HD22 0.00 -0.03 -0.03 -0.04 7.74 7.65 3i9v11 LEU 387 H -0.18 0.42 -0.14 -0.55 8.37 7.93 3i9v11 LEU 387 HA -0.23 -0.01 0.30 -0.75 4.35 3.66 3i9v11 LEU 387 HB2 -0.25 -0.01 0.11 -0.04 1.64 1.45 3i9v11 LEU 387 HB3 -0.24 0.11 0.10 -0.04 1.64 1.57 3i9v11 LEU 387 HG -0.24 0.05 -0.26 -0.04 1.64 1.15 3i9v11 LEU 387 HD13 -0.08 -0.02 0.03 -0.04 0.93 0.82 3i9v11 LEU 387 HD23 -0.63 -0.01 -0.04 -0.04 0.89 0.18 3i9v11 GLU 388 H -0.16 0.27 -0.55 -0.55 8.60 7.62 3i9v11 GLU 388 HA -0.11 0.00 0.45 -0.75 4.29 3.88 3i9v11 GLU 388 HB2 -0.13 -0.03 0.13 -0.04 2.09 2.02 3i9v11 GLU 388 HB3 -0.11 0.13 0.23 -0.04 1.99 2.20 3i9v11 GLU 388 HG2 -0.07 -0.03 0.00 -0.04 2.34 2.20 3i9v11 GLU 388 HG3 -0.06 0.03 -0.44 -0.04 2.34 1.82 3i9v11 ALA 389 H -0.11 0.54 0.02 -0.55 8.40 8.30 3i9v11 ALA 389 HA -0.06 0.02 0.44 -0.75 4.34 3.99 3i9v11 ALA 389 HB3 -0.07 -0.02 0.12 -0.04 1.41 1.40 3i9v11 LEU 390 H -0.14 0.41 -0.50 -0.55 8.37 7.60 3i9v11 LEU 390 HA -0.13 0.02 0.45 -0.75 4.35 3.94 3i9v11 LEU 390 HB2 -0.17 0.29 0.14 -0.04 1.64 1.86 3i9v11 LEU 390 HB3 -0.15 -0.09 -0.09 -0.04 1.64 1.27 3i9v11 LEU 390 HG -0.46 0.06 -0.25 -0.04 1.64 0.95 3i9v11 LEU 390 HD13 -0.50 -0.02 -0.06 -0.04 0.93 0.31 3i9v11 LEU 390 HD23 -0.52 -0.01 -0.04 -0.04 0.89 0.28 3i9v11 LEU 391 H -0.07 0.40 -0.06 -0.55 8.37 8.09 3i9v11 LEU 391 HA -0.04 -0.06 0.27 -0.75 4.35 3.77 3i9v11 LEU 391 HB2 -0.01 0.15 0.12 -0.04 1.64 1.86 3i9v11 LEU 391 HB3 0.00 -0.10 0.08 -0.04 1.64 1.58 3i9v11 LEU 391 HG -0.05 0.31 0.23 -0.04 1.64 2.10 3i9v11 LEU 391 HD13 0.01 -0.00 -0.02 -0.04 0.93 0.88 3i9v11 LEU 391 HD23 0.02 -0.05 0.06 -0.04 0.89 0.88 3i9v11 PRO 392 HA -0.00 0.01 0.49 -0.51 4.44 4.43 3i9v11 PRO 392 HB2 -0.01 0.02 0.00 -0.04 2.28 2.26 3i9v11 PRO 392 HB3 0.00 0.00 0.06 -0.04 2.02 2.05 3i9v11 PRO 392 HG2 -0.03 0.19 -0.06 -0.04 2.03 2.09 3i9v11 PRO 392 HG3 -0.02 0.02 0.01 -0.04 2.03 1.99 3i9v11 PRO 392 HD2 -0.05 0.04 -0.79 -0.04 3.68 2.84 3i9v11 PRO 392 HD3 -0.02 0.14 0.04 -0.04 3.65 3.77 3i9v11 LEU 393 H -0.03 0.67 -0.21 -0.55 8.37 8.25 3i9v11 LEU 393 HA -0.01 0.07 0.57 -0.75 4.35 4.23 3i9v11 LEU 393 HB2 -0.03 0.29 0.19 -0.04 1.64 2.05 3i9v11 LEU 393 HB3 -0.01 -0.09 0.03 -0.04 1.64 1.54 3i9v11 LEU 393 HG -0.02 0.07 0.03 -0.04 1.64 1.67 3i9v11 LEU 393 HD13 -0.02 -0.02 0.02 -0.04 0.93 0.87 3i9v11 LEU 393 HD23 -0.01 -0.01 0.05 -0.04 0.89 0.88 3i9v11 ILE 394 H -0.04 0.19 -0.33 -0.55 8.25 7.53 3i9v11 ILE 394 HA -0.03 0.12 0.65 -0.75 4.18 4.16 3i9v11 ILE 394 HB -0.06 0.09 0.15 -0.04 1.89 2.03 3i9v11 ILE 394 HG12 -0.01 -0.01 -0.05 -0.04 1.49 1.37 3i9v11 ILE 394 HG13 -0.03 0.09 -0.14 -0.04 1.21 1.08 3i9v11 ILE 394 HG23 -0.08 -0.03 -0.25 -0.04 0.93 0.53 3i9v11 ILE 394 HD13 -0.02 -0.02 -0.14 -0.04 0.88 0.66 3i9v11 GLU 395 H -0.07 0.64 0.18 -0.55 8.60 8.80 3i9v11 GLU 395 HA -0.21 -0.08 0.05 -0.75 4.29 3.31 3i9v11 GLU 395 HB2 -0.16 -0.04 0.10 -0.04 2.09 1.94 3i9v11 GLU 395 HB3 -0.03 0.05 0.13 -0.04 1.99 2.09 3i9v11 GLU 395 HG2 -0.00 0.10 -0.67 -0.04 2.34 1.73 3i9v11 GLU 395 HG3 -0.19 -0.08 -0.12 -0.04 2.34 1.91 3i9v11 GLY 396 H -0.02 0.16 -0.22 -0.55 8.43 7.81 3i9v11 GLY 396 HA2 0.01 -0.02 0.33 -0.51 4.01 3.82 3i9v11 GLY 396 HA3 -0.00 0.06 0.25 -0.51 4.01 3.80 3i9v11 ARG 397 H -0.03 0.47 -0.51 -0.55 8.46 7.84 3i9v11 ARG 397 HA -0.02 0.17 0.97 -0.75 4.34 4.70 3i9v11 ARG 397 HB2 -0.00 -0.05 0.05 -0.04 1.90 1.85 3i9v11 ARG 397 HB3 -0.00 0.03 -0.10 -0.04 1.80 1.68 3i9v11 ARG 397 HG2 -0.00 -0.00 -0.09 -0.04 1.67 1.53 3i9v11 ARG 397 HG3 -0.01 -0.18 -0.35 -0.04 1.67 1.10 3i9v11 ARG 397 HD2 -0.01 0.06 -0.15 -0.04 3.22 3.08 3i9v11 ARG 397 HD3 -0.00 -0.02 0.05 -0.04 3.22 3.21 3i9v11 SER 398 H -0.04 0.30 0.15 -0.55 8.46 8.33 3i9v11 SER 398 HA 0.02 0.10 0.65 -0.75 4.49 4.51 3i9v11 SER 398 HB2 -0.04 0.13 0.03 -0.04 3.95 4.04 3i9v11 SER 398 HB3 0.01 -0.24 0.18 -0.04 3.93 3.83 3i9v11 PHE 399 H 0.15 -0.01 0.17 -0.55 8.34 8.10 3i9v11 PHE 399 HA -0.04 0.19 0.39 -0.75 4.62 4.40 3i9v11 PHE 399 HB2 -0.04 -0.02 0.08 -0.04 3.15 3.14 3i9v11 PHE 399 HB3 -0.04 -0.12 0.07 -0.04 3.06 2.93 3i9v11 PHE 399 HD2 -0.04 -0.06 -0.08 -0.04 7.28 7.05 3i9v11 PHE 399 HE2 -0.05 0.12 -0.27 -0.04 7.38 7.14 3i9v11 PHE 399 HZ -0.06 -0.08 -0.38 -0.04 7.32 6.76 3i9v11 CYS 400 H 0.04 -0.00 0.00 -0.55 8.50 7.99 3i9v11 CYS 400 HA -0.14 0.32 0.73 -0.75 4.58 4.73 3i9v11 CYS 400 HB2 -0.06 0.06 0.18 -0.04 2.97 3.11 3i9v11 CYS 400 HB3 0.05 0.06 -0.13 -0.04 2.97 2.90 3i9v11 PRO 401 HA -0.14 0.16 0.41 -0.51 4.44 4.36 3i9v11 PRO 401 HB2 0.00 -0.02 0.02 -0.04 2.28 2.24 3i9v11 PRO 401 HB3 0.02 0.11 0.08 -0.04 2.02 2.18 3i9v11 PRO 401 HG2 -0.01 0.03 0.10 -0.04 2.03 2.11 3i9v11 PRO 401 HG3 -0.01 0.16 0.09 -0.04 2.03 2.22 3i9v11 PRO 401 HD2 -0.05 0.06 0.25 -0.04 3.68 3.90 3i9v11 PRO 401 HD3 -0.09 0.29 0.21 -0.04 3.65 4.02 3i9v11 LEU 402 H -0.01 0.11 -0.23 -0.55 8.37 7.69 3i9v11 LEU 402 HA 0.09 0.08 0.31 -0.75 4.35 4.08 3i9v11 LEU 402 HB2 0.06 -0.00 0.08 -0.04 1.64 1.74 3i9v11 LEU 402 HB3 0.04 -0.04 0.01 -0.04 1.64 1.60 3i9v11 LEU 402 HG 0.37 0.02 -0.00 -0.04 1.64 1.99 3i9v11 LEU 402 HD13 0.18 -0.01 -0.09 -0.04 0.93 0.96 3i9v11 LEU 402 HD23 0.13 0.01 -0.22 -0.04 0.89 0.77 3i9v11 ALA 403 H -0.08 0.23 -0.35 -0.55 8.40 7.65 3i9v11 ALA 403 HA -0.11 0.04 0.28 -0.75 4.34 3.79 3i9v11 ALA 403 HB3 -0.10 0.02 -0.03 -0.04 1.41 1.26 3i9v11 ASP 404 H -0.36 0.23 -0.14 -0.55 8.40 7.58 3i9v11 ASP 404 HA -0.76 0.01 0.50 -0.75 4.63 3.62 3i9v11 ASP 404 HB2 -1.22 0.04 0.12 -0.04 2.71 1.62 3i9v11 ASP 404 HB3 -2.56 0.01 0.04 -0.04 2.70 0.15 3i9v11 ALA 405 H -0.36 0.49 -0.05 -0.55 8.40 7.93 3i9v11 ALA 405 HA 0.08 0.09 0.34 -0.75 4.34 4.10 3i9v11 ALA 405 HB3 0.08 0.00 0.06 -0.04 1.41 1.50 3i9v11 ALA 406 H -0.42 0.23 -0.77 -0.55 8.40 6.90 3i9v11 ALA 406 HA -0.84 0.08 0.48 -0.75 4.34 3.30 3i9v11 ALA 406 HB3 -0.28 0.01 0.05 -0.04 1.41 1.15 3i9v11 VAL 407 H -0.26 0.33 0.14 -0.55 8.24 7.91 3i9v11 VAL 407 HA -0.01 0.03 0.46 -0.75 4.13 3.85 3i9v11 VAL 407 HB -0.03 -0.06 0.13 -0.04 2.12 2.12 3i9v11 VAL 407 HG13 -0.12 0.06 0.12 -0.04 0.97 0.98 3i9v11 VAL 407 HG23 -0.25 0.01 0.04 -0.04 0.95 0.71 3i9v11 TRP 408 H -0.09 0.63 -0.01 -0.55 7.97 7.95 3i9v11 TRP 408 HA 0.03 -0.06 0.35 -0.75 4.62 4.19 3i9v11 TRP 408 HB2 0.00 0.21 0.03 -0.04 3.23 3.44 3i9v11 TRP 408 HB3 0.04 0.00 -0.04 -0.04 3.23 3.18 3i9v11 TRP 408 HD1 0.02 -0.06 0.00 -0.04 7.22 7.13 3i9v11 TRP 408 HE1 0.01 -0.00 -0.02 -0.04 10.20 10.14 3i9v11 TRP 408 HE3 0.03 0.19 -0.12 -0.04 7.59 7.64 3i9v11 TRP 408 HZ2 0.01 0.02 -0.03 -0.04 7.44 7.40 3i9v11 TRP 408 HZ3 0.03 -0.07 -0.09 -0.04 7.13 6.96 3i9v11 TRP 408 HH2 0.01 -0.02 -0.03 -0.04 7.19 7.11 3i9v11 PRO 409 HA 0.17 0.02 0.40 -0.51 4.44 4.52 3i9v11 PRO 409 HB2 0.14 -0.07 -0.10 -0.04 2.28 2.21 3i9v11 PRO 409 HB3 0.15 0.19 -0.05 -0.04 2.02 2.27 3i9v11 PRO 409 HG2 0.09 0.14 -0.01 -0.04 2.03 2.21 3i9v11 PRO 409 HG3 0.18 0.07 0.03 -0.04 2.03 2.27 3i9v11 PRO 409 HD2 0.17 0.08 -0.22 -0.04 3.68 3.67 3i9v11 PRO 409 HD3 0.28 0.25 -0.16 -0.04 3.65 3.98 3i9v11 VAL 410 H 0.15 0.36 -0.41 -0.55 8.24 7.79 3i9v11 VAL 410 HA 0.24 0.03 0.47 -0.75 4.13 4.12 3i9v11 VAL 410 HB 0.13 0.10 0.13 -0.04 2.12 2.44 3i9v11 VAL 410 HG13 0.30 -0.03 -0.04 -0.04 0.97 1.16 3i9v11 VAL 410 HG23 0.17 0.06 0.03 -0.04 0.95 1.16 3i9v11 LYS 411 H 0.15 0.73 0.09 -0.55 8.42 8.84 3i9v11 LYS 411 HA 0.07 -0.01 0.52 -0.75 4.32 4.15 3i9v11 LYS 411 HB2 0.16 0.02 0.09 -0.04 1.87 2.09 3i9v11 LYS 411 HB3 0.19 0.10 0.24 -0.04 1.79 2.29 3i9v11 LYS 411 HG2 0.09 -0.01 -0.09 -0.04 1.46 1.40 3i9v11 LYS 411 HG3 0.08 -0.04 0.03 -0.04 1.46 1.49 3i9v11 LYS 411 HD2 0.31 -0.03 -0.02 -0.04 1.69 1.91 3i9v11 LYS 411 HD3 0.15 0.06 -0.00 -0.04 1.68 1.85 3i9v11 LYS 411 HE2 0.18 -0.00 -0.02 -0.04 2.99 3.11 3i9v11 LYS 411 HE3 0.08 0.01 -0.02 -0.04 2.99 3.03 3i9v11 GLY 412 H 0.17 0.68 0.04 -0.55 8.43 8.78 3i9v11 GLY 412 HA2 0.19 -0.00 0.32 -0.51 4.01 4.00 3i9v11 GLY 412 HA3 0.19 0.09 0.27 -0.51 4.01 4.05 3i9v11 SER 413 H 0.20 0.16 -0.93 -0.55 8.46 7.34 3i9v11 SER 413 HA 0.37 0.19 0.87 -0.75 4.49 5.17 3i9v11 SER 413 HB2 0.19 -0.11 0.01 -0.04 3.95 3.99 3i9v11 SER 413 HB3 0.19 0.26 0.08 -0.04 3.93 4.42 3i9v11 LEU 414 H 0.13 0.63 0.11 -0.55 8.37 8.69 3i9v11 LEU 414 HA 0.06 -0.07 0.55 -0.75 4.35 4.14 3i9v11 LEU 414 HB2 -0.02 0.25 0.32 -0.04 1.64 2.15 3i9v11 LEU 414 HB3 -0.06 -0.04 0.04 -0.04 1.64 1.54 3i9v11 LEU 414 HG -0.28 -0.05 0.07 -0.04 1.64 1.34 3i9v11 LEU 414 HD13 -0.85 -0.01 0.01 -0.04 0.93 0.03 3i9v11 LEU 414 HD23 -0.16 0.04 -0.01 -0.04 0.89 0.72 3i9v11 ARG 415 H 0.10 0.61 -0.10 -0.55 8.46 8.51 3i9v11 ARG 415 HA -0.06 0.02 0.38 -0.75 4.34 3.93 3i9v11 ARG 415 HB2 -0.02 -0.02 0.05 -0.04 1.90 1.86 3i9v11 ARG 415 HB3 0.01 0.08 0.00 -0.04 1.80 1.86 3i9v11 ARG 415 HG2 -0.47 0.01 0.19 -0.04 1.67 1.35 3i9v11 ARG 415 HG3 -0.14 -0.05 0.08 -0.04 1.67 1.51 3i9v11 ARG 415 HD2 -0.03 -0.03 -0.02 -0.04 3.22 3.10 3i9v11 ARG 415 HD3 -0.05 0.09 -0.03 -0.04 3.22 3.18 3i9v11 HIS 416 H 0.27 0.12 -0.80 -0.55 8.41 7.47 3i9v11 HIS 416 HA -0.11 0.16 0.74 -0.75 4.63 4.66 3i9v11 HIS 416 HB2 0.30 0.12 -0.02 -0.04 3.26 3.63 3i9v11 HIS 416 HB3 -0.52 -0.10 0.14 -0.04 3.20 2.68 3i9v11 HIS 416 HD2 0.14 0.34 -0.03 -0.04 6.97 7.38 3i9v11 HIS 416 HE1 -0.01 -0.07 0.06 -0.04 7.75 7.68 3i9v11 PHE 417 H 0.32 0.23 0.06 -0.55 8.34 8.40 3i9v11 PHE 417 HA 0.11 0.16 0.82 -0.75 4.62 4.96 3i9v11 PHE 417 HB2 0.21 0.13 0.06 -0.04 3.15 3.50 3i9v11 PHE 417 HB3 0.10 -0.15 0.21 -0.04 3.06 3.18 3i9v11 PHE 417 HD2 0.14 0.02 -0.03 -0.04 7.28 7.37 3i9v11 PHE 417 HE2 0.06 0.07 -0.05 -0.04 7.38 7.41 3i9v11 PHE 417 HZ 0.03 0.05 -0.02 -0.04 7.32 7.34 3i9v11 LYS 418 H 0.14 0.35 0.15 -0.55 8.42 8.50 3i9v11 LYS 418 HA 0.22 0.03 0.40 -0.75 4.32 4.21 3i9v11 LYS 418 HB2 0.03 0.44 0.27 -0.04 1.87 2.57 3i9v11 LYS 418 HB3 0.04 -0.02 0.09 -0.04 1.79 1.85 3i9v11 LYS 418 HG2 0.01 -0.03 -0.04 -0.04 1.46 1.36 3i9v11 LYS 418 HG3 -0.01 -0.09 0.17 -0.04 1.46 1.49 3i9v11 LYS 418 HD2 -0.05 0.04 0.03 -0.04 1.69 1.67 3i9v11 LYS 418 HD3 -0.02 0.03 0.00 -0.04 1.68 1.65 3i9v11 LYS 418 HE2 -0.03 -0.03 -0.02 -0.04 2.99 2.87 3i9v11 LYS 418 HE3 -0.08 -0.01 -0.01 -0.04 2.99 2.85 3i9v11 ASP 419 H 0.11 0.14 -0.49 -0.55 8.40 7.61 3i9v11 ASP 419 HA 0.07 0.06 0.49 -0.75 4.63 4.50 3i9v11 ASP 419 HB2 0.06 0.05 -0.03 -0.04 2.71 2.74 3i9v11 ASP 419 HB3 0.04 0.04 0.05 -0.04 2.70 2.79 3i9v11 GLN 420 H 0.20 0.84 -0.07 -0.55 8.47 8.89 3i9v11 GLN 420 HA 0.06 0.10 0.46 -0.75 4.36 4.23 3i9v11 GLN 420 HB2 0.20 0.03 0.20 -0.04 2.15 2.55 3i9v11 GLN 420 HB3 0.01 -0.00 0.05 -0.04 2.02 2.04 3i9v11 GLN 420 HG2 -0.03 -0.09 0.07 -0.04 2.40 2.31 3i9v11 GLN 420 HG3 0.05 0.05 0.11 -0.04 2.39 2.56 3i9v11 GLN 420 HE21 0.03 0.14 0.14 -0.04 6.97 7.23 3i9v11 GLN 420 HE22 0.01 0.02 0.11 -0.04 7.69 7.79 3i9v11 TYR 421 H 0.30 0.24 -0.26 -0.55 8.29 8.02 3i9v11 TYR 421 HA 0.00 0.09 0.52 -0.75 4.56 4.42 3i9v11 TYR 421 HB2 0.00 0.15 0.16 -0.04 3.06 3.32 3i9v11 TYR 421 HB3 -0.05 -0.03 -0.04 -0.04 2.98 2.82 3i9v11 TYR 421 HD2 -0.04 0.02 -0.08 -0.04 7.15 7.00 3i9v11 TYR 421 HE2 -0.08 0.04 -0.20 -0.04 6.85 6.58 3i9v11 LEU 422 H 0.15 0.42 0.01 -0.55 8.37 8.40 3i9v11 LEU 422 HA 0.05 -0.03 0.41 -0.75 4.35 4.03 3i9v11 LEU 422 HB2 0.06 0.04 0.20 -0.04 1.64 1.89 3i9v11 LEU 422 HB3 0.03 -0.01 0.03 -0.04 1.64 1.66 3i9v11 LEU 422 HG 0.07 0.15 0.18 -0.04 1.64 1.99 3i9v11 LEU 422 HD13 0.03 -0.02 -0.07 -0.04 0.93 0.82 3i9v11 LEU 422 HD23 0.01 -0.02 0.03 -0.04 0.89 0.87 3i9v11 ALA 423 H 0.06 0.62 -0.22 -0.55 8.40 8.31 3i9v11 ALA 423 HA 0.03 -0.02 0.35 -0.75 4.34 3.94 3i9v11 ALA 423 HB3 0.03 0.05 0.08 -0.04 1.41 1.53 3i9v11 LEU 424 H 0.01 0.29 -0.23 -0.55 8.37 7.90 3i9v11 LEU 424 HA 0.01 0.07 0.37 -0.75 4.35 4.05 3i9v11 LEU 424 HB2 -0.01 -0.03 0.18 -0.04 1.64 1.74 3i9v11 LEU 424 HB3 0.00 0.15 0.06 -0.04 1.64 1.81 3i9v11 LEU 424 HG 0.01 0.25 -0.12 -0.04 1.64 1.74 3i9v11 LEU 424 HD13 -0.01 0.03 0.01 -0.04 0.93 0.93 3i9v11 LEU 424 HD23 -0.02 -0.04 0.01 -0.04 0.89 0.80 3i9v11 ALA 425 H 0.02 0.42 -0.16 -0.55 8.40 8.14 3i9v11 ALA 425 HA 0.00 0.01 0.39 -0.75 4.34 3.99 3i9v11 ALA 425 HB3 0.01 -0.05 -0.15 -0.04 1.41 1.18 3i9v11 ARG 426 H 0.02 0.67 0.00 -0.55 8.46 8.59 3i9v11 ARG 426 HA 0.01 -0.04 0.28 -0.75 4.34 3.83 3i9v11 ARG 426 HB2 0.02 0.13 0.05 -0.04 1.90 2.05 3i9v11 ARG 426 HB3 0.01 -0.03 0.03 -0.04 1.80 1.77 3i9v11 ARG 426 HG2 0.01 -0.06 0.05 -0.04 1.67 1.62 3i9v11 ARG 426 HG3 0.01 -0.06 0.05 -0.04 1.67 1.63 3i9v11 ARG 426 HD2 0.02 0.03 -0.11 -0.04 3.22 3.12 3i9v11 ARG 426 HD3 0.01 0.00 -0.02 -0.04 3.22 3.17 3i9v11 GLU 427 H 0.01 0.35 -0.42 -0.55 8.60 8.00 3i9v11 GLU 427 HA 0.01 0.16 0.98 -0.75 4.29 4.68 3i9v11 GLU 427 HB2 0.01 0.06 0.01 -0.04 2.09 2.13 3i9v11 GLU 427 HB3 0.01 -0.05 0.14 -0.04 1.99 2.05 3i9v11 GLU 427 HG2 0.01 -0.05 -0.08 -0.04 2.34 2.18 3i9v11 GLU 427 HG3 0.01 -0.01 -0.09 -0.04 2.34 2.22 3i9v11 LYS 428 H 0.01 0.50 -0.20 -0.55 8.42 8.18 3i9v11 LYS 428 HA 0.01 -0.05 0.39 -0.75 4.32 3.91 3i9v11 LYS 428 HB2 0.01 0.01 -0.10 -0.04 1.87 1.74 3i9v11 LYS 428 HB3 0.01 0.10 0.27 -0.04 1.79 2.13 3i9v11 LYS 428 HG2 0.01 0.05 -0.06 -0.04 1.46 1.42 3i9v11 LYS 428 HG3 0.01 -0.11 -0.05 -0.04 1.46 1.27 3i9v11 LYS 428 HD2 0.01 -0.07 -0.01 -0.04 1.69 1.57 3i9v11 LYS 428 HD3 0.01 0.05 -0.17 -0.04 1.68 1.52 3i9v11 LYS 428 HE2 0.00 -0.13 -0.06 -0.04 2.99 2.76 3i9v11 LYS 428 HE3 0.00 -0.07 -0.30 -0.04 2.99 2.59 3i9v11 ARG 429 H 0.01 0.54 0.02 -0.55 8.46 8.48 3i9v11 ARG 429 HA 0.02 0.23 1.03 -0.75 4.34 4.87 3i9v11 ARG 429 HB2 0.02 -0.10 0.03 -0.04 1.90 1.81 3i9v11 ARG 429 HB3 0.02 0.07 -0.09 -0.04 1.80 1.75 3i9v11 ARG 429 HG2 0.02 -0.02 0.02 -0.04 1.67 1.64 3i9v11 ARG 429 HG3 0.01 0.28 -0.18 -0.04 1.67 1.74 3i9v11 ARG 429 HD2 0.02 -0.06 -0.02 -0.04 3.22 3.11 3i9v11 ARG 429 HD3 0.02 -0.04 -0.05 -0.04 3.22 3.11 3i9v11 PRO 430 HA 0.05 -0.02 0.09 -0.51 4.44 4.05 3i9v11 PRO 430 HB2 0.05 0.10 -0.02 -0.04 2.28 2.37 3i9v11 PRO 430 HB3 0.05 0.09 0.02 -0.04 2.02 2.14 3i9v11 PRO 430 HG2 0.03 -0.02 0.02 -0.04 2.03 2.02 3i9v11 PRO 430 HG3 0.03 -0.00 0.06 -0.04 2.03 2.08 3i9v11 PRO 430 HD2 0.02 0.07 0.27 -0.04 3.68 4.00 3i9v11 PRO 430 HD3 0.03 0.27 0.11 -0.04 3.65 4.02 3i9v11 VAL 431 H 0.09 0.30 0.15 -0.55 8.24 8.23 3i9v11 VAL 431 HA 0.04 0.02 0.47 -0.75 4.13 3.91 3i9v11 VAL 431 HB 0.06 0.01 0.12 -0.04 2.12 2.28 3i9v11 VAL 431 HG13 0.10 -0.04 0.12 -0.04 0.97 1.11 3i9v11 VAL 431 HG23 0.15 0.06 0.08 -0.04 0.95 1.19 3i9v11 PRO 432 HA 0.02 0.06 0.46 -0.51 4.44 4.47 3i9v11 PRO 432 HB2 0.02 0.08 0.01 -0.04 2.28 2.35 3i9v11 PRO 432 HB3 0.02 0.02 0.11 -0.04 2.02 2.13 3i9v11 PRO 432 HG2 0.02 -0.07 0.23 -0.04 2.03 2.16 3i9v11 PRO 432 HG3 0.02 0.05 0.07 -0.04 2.03 2.13 3i9v11 PRO 432 HD2 0.02 -0.09 0.30 -0.04 3.68 3.87 3i9v11 PRO 432 HD3 0.02 0.19 0.20 -0.04 3.65 4.02 3i9v11 ARG 433 H 0.02 0.13 0.11 -0.55 8.46 8.17 3i9v11 ARG 433 HA 0.01 0.21 0.91 -0.75 4.34 4.71 3i9v11 ARG 433 HB2 0.01 -0.04 0.21 -0.04 1.90 2.04 3i9v11 ARG 433 HB3 0.00 -0.02 0.09 -0.04 1.80 1.83 3i9v11 ARG 433 HG2 0.02 0.18 -0.10 -0.04 1.67 1.73 3i9v11 ARG 433 HG3 0.01 -0.05 0.01 -0.04 1.67 1.60 3i9v11 ARG 433 HD2 -0.01 -0.01 0.01 -0.04 3.22 3.17 3i9v11 ARG 433 HD3 0.01 0.06 -0.17 -0.04 3.22 3.09 3i9v11 PRO 434 HA 0.02 0.06 0.64 -0.51 4.44 4.65 3i9v11 PRO 434 HB2 0.02 0.07 -0.10 -0.04 2.28 2.23 3i9v11 PRO 434 HB3 0.02 0.01 0.06 -0.04 2.02 2.06 3i9v11 PRO 434 HG2 0.01 -0.06 -0.05 -0.04 2.03 1.89 3i9v11 PRO 434 HG3 0.01 0.32 -0.01 -0.04 2.03 2.31 3i9v11 PRO 434 HD2 0.01 0.26 0.11 -0.04 3.68 4.02 3i9v11 PRO 434 HD3 0.01 0.04 -0.39 -0.04 3.65 3.28 3i9v11 SER 435 H 0.03 0.10 0.14 -0.55 8.46 8.19 3i9v11 SER 435 HA 0.07 0.04 0.62 -0.75 4.49 4.47 3i9v11 SER 435 HB2 0.06 -0.00 0.14 -0.04 3.95 4.10 3i9v11 SER 435 HB3 0.05 -0.00 0.15 -0.04 3.93 4.09 3i9v11 LEU 436 H 0.11 0.05 0.21 -0.55 8.37 8.19 3i9v11 LEU 436 HA 0.07 0.26 1.01 -0.75 4.35 4.94 3i9v11 LEU 436 HB2 0.03 0.01 0.05 -0.04 1.64 1.70 3i9v11 LEU 436 HB3 0.06 -0.03 -0.06 -0.04 1.64 1.56 3i9v11 LEU 436 HG 0.02 -0.03 -0.04 -0.04 1.64 1.56 3i9v11 LEU 436 HD13 0.02 0.15 -0.48 -0.04 0.93 0.58 3i9v11 LEU 436 HD23 -0.01 -0.01 -0.06 -0.04 0.89 0.78 3i9v11 TRP 437 H 0.39 0.01 0.13 -0.55 7.97 7.95 3i9v11 TRP 437 HA -0.01 0.24 1.05 -0.75 4.62 5.15 3i9v11 TRP 437 HB2 -0.02 0.00 0.10 -0.04 3.23 3.27 3i9v11 TRP 437 HB3 -0.02 -0.05 0.02 -0.04 3.23 3.14 3i9v11 TRP 437 HD1 -0.01 -0.10 0.06 -0.04 7.22 7.13 3i9v11 TRP 437 HE1 -0.01 -0.04 -0.03 -0.04 10.20 10.08 3i9v11 TRP 437 HE3 -0.02 -0.04 -0.01 -0.04 7.59 7.48 3i9v11 TRP 437 HZ2 -0.01 -0.04 -0.03 -0.04 7.44 7.33 3i9v11 TRP 437 HZ3 -0.01 -0.04 -0.02 -0.04 7.13 7.02 3i9v11 TRP 437 HH2 -0.01 -0.04 -0.02 -0.04 7.19 7.08 3i9v11 ARG 438 H -0.05 0.12 0.05 -0.55 8.46 8.02 3i9v11 ARG 438 HA -0.23 0.21 0.52 -0.75 4.34 4.09 3i9v11 ARG 438 HB2 -0.16 0.00 0.08 -0.04 1.90 1.78 3i9v11 ARG 438 HB3 -0.15 0.03 0.05 -0.04 1.80 1.69 3i9v11 ARG 438 HG2 -0.05 0.04 -0.02 -0.04 1.67 1.60 3i9v11 ARG 438 HG3 -0.04 0.05 -0.18 -0.04 1.67 1.46 3i9v11 ARG 438 HD2 0.03 -0.10 0.07 -0.04 3.22 3.18 3i9v11 ARG 438 HD3 -0.02 -0.01 0.05 -0.04 3.22 3.20