============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. TRP 7 1.040 15.703 47.054 8.422 -99.200 -91.000 TRP6 7 1.020 16.309 46.824 10.699 -99.200 -91.000 TYR 14 0.840 18.993 63.199 22.530 -99.200 -91.000 PHE 28 1.000 21.970 52.390 21.255 -99.200 -91.000 HIS 37 0.900 25.505 35.840 9.195 -99.200 -91.000 PHE 42 1.000 28.095 52.162 21.912 -99.200 -91.000 TYR 44 0.840 30.765 59.286 23.314 -99.200 -91.000 PHE 54 1.000 18.168 60.196 13.281 -99.200 -91.000 HIS 56 0.900 27.113 62.833 7.210 -99.200 -91.000 TRP 76 1.040 35.378 54.337 8.780 -99.200 -91.000 TRP6 76 1.020 36.622 56.244 8.134 -99.200 -91.000 TRP 81 1.040 36.319 58.147 -0.965 -99.200 -91.000 TRP6 81 1.020 37.427 60.056 -1.824 -99.200 -91.000 PHE 99 1.000 25.329 53.821 9.533 -99.200 -91.000 TRP 104 1.040 35.269 46.171 12.803 -99.200 -91.000 TRP6 104 1.020 36.946 44.531 12.509 -99.200 -91.000 TYR 122 0.840 48.804 40.249 22.129 -99.200 -91.000 TYR 129 0.840 40.956 54.159 34.723 -99.200 -91.000 PHE 135 1.000 31.446 63.678 38.989 -99.200 -91.000 HIS 137 0.900 30.502 67.979 42.340 -99.200 -91.000 HIS 179 0.900 39.997 55.990 53.613 -99.200 -91.000 TRP 193 1.040 46.566 71.951 36.160 -99.200 -91.000 TRP6 193 1.020 47.432 69.781 36.537 -99.200 -91.000 PHE 204 1.000 49.219 65.961 41.499 -99.200 -91.000 PHE 207 1.000 50.868 63.040 46.024 -99.200 -91.000 TRP 211 1.040 46.288 58.168 33.722 -99.200 -91.000 TRP6 211 1.020 45.565 56.012 33.065 -99.200 -91.000 TYR 219 0.840 42.793 69.221 19.044 -99.200 -91.000 HIS 221 0.900 49.051 67.041 19.056 -99.200 -91.000 HIS 224 0.900 49.112 67.195 26.469 -99.200 -91.000 PHE 231 1.000 57.463 67.241 35.360 -99.200 -91.000 HIS 246 0.900 44.085 59.273 19.056 -99.200 -91.000 HIS 252 0.900 53.935 67.184 17.749 -99.200 -91.000 TYR 257 0.840 49.730 54.437 30.960 -99.200 -91.000 PHE 270 1.000 40.775 51.611 19.848 -99.200 -91.000 HIS 279 0.900 56.733 50.754 14.089 -99.200 -91.000 HIS 286 0.900 37.337 59.303 27.988 -99.200 -91.000 PHE 287 1.000 31.232 56.881 26.778 -99.200 -91.000 HIS 291 0.900 36.869 52.397 24.016 -99.200 -91.000 HIS 293 0.900 34.377 42.425 23.505 -99.200 -91.000 TYR 298 0.840 48.406 48.553 22.628 -99.200 -91.000 TRP 303 1.040 46.334 50.778 33.873 -99.200 -91.000 TRP6 303 1.020 45.525 50.278 36.042 -99.200 -91.000 HIS 306 0.900 32.756 49.270 36.626 -99.200 -91.000 PHE 307 1.000 31.221 55.694 31.754 -99.200 -91.000 TRP 309 1.040 28.297 57.977 34.150 -99.200 -91.000 TRP6 309 1.020 29.172 59.986 33.262 -99.200 -91.000 PHE 314 1.000 24.649 49.054 25.596 -99.200 -91.000 TRP 343 1.040 15.441 56.990 28.577 -99.200 -91.000 TRP6 343 1.020 17.046 55.578 29.589 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2og9A1 PRO 11 HA -0.01 -0.09 0.21 -0.51 4.44 4.04 2og9A1 PRO 11 HB2 -0.00 0.31 0.03 -0.04 2.28 2.58 2og9A1 PRO 11 HB3 -0.01 -0.16 0.16 -0.04 2.02 1.97 2og9A1 PRO 11 HG2 -0.00 0.08 0.05 -0.04 2.03 2.11 2og9A1 PRO 11 HG3 -0.00 -0.04 0.08 -0.04 2.03 2.02 2og9A1 PRO 11 HD2 0.00 0.01 0.01 -0.04 3.68 3.66 2og9A1 PRO 11 HD3 -0.00 -0.01 0.03 -0.04 3.65 3.63 2og9A1 SER 12 H -0.02 0.04 0.13 -0.55 8.46 8.06 2og9A1 SER 12 HA -0.01 0.12 0.44 -0.75 4.49 4.29 2og9A1 SER 12 HB2 -0.04 0.08 0.08 -0.04 3.95 4.04 2og9A1 SER 12 HB3 -0.03 -0.02 0.13 -0.04 3.93 3.96 2og9A1 ASP 13 H -0.01 0.10 -0.07 -0.55 8.40 7.87 2og9A1 ASP 13 HA 0.03 0.19 0.47 -0.75 4.63 4.57 2og9A1 ASP 13 HB2 -0.01 0.10 -0.32 -0.04 2.71 2.43 2og9A1 ASP 13 HB3 0.00 -0.05 -0.09 -0.04 2.70 2.52 2og9A1 ARG 14 H 0.04 0.07 0.14 -0.55 8.46 8.15 2og9A1 ARG 14 HA 0.01 0.31 0.51 -0.75 4.34 4.41 2og9A1 ARG 14 HB2 0.01 0.09 -0.32 -0.04 1.90 1.65 2og9A1 ARG 14 HB3 0.03 -0.13 0.02 -0.04 1.80 1.68 2og9A1 ARG 14 HG2 0.01 -0.04 -0.13 -0.04 1.67 1.47 2og9A1 ARG 14 HG3 0.01 0.13 0.01 -0.04 1.67 1.78 2og9A1 ARG 14 HD2 0.03 -0.03 -0.23 -0.04 3.22 2.95 2og9A1 ARG 14 HD3 0.01 0.02 0.02 -0.04 3.22 3.23 2og9A1 ILE 15 H 0.01 0.73 0.16 -0.55 8.25 8.60 2og9A1 ILE 15 HA 0.06 0.03 0.60 -0.75 4.18 4.13 2og9A1 ILE 15 HB -0.00 0.17 0.19 -0.04 1.89 2.20 2og9A1 ILE 15 HG12 0.03 -0.07 -0.07 -0.04 1.49 1.33 2og9A1 ILE 15 HG13 0.00 0.14 0.01 -0.04 1.21 1.33 2og9A1 ILE 15 HG23 0.02 -0.01 -0.23 -0.04 0.93 0.66 2og9A1 ILE 15 HD13 -0.02 0.01 -0.11 -0.04 0.88 0.71 2og9A1 THR 16 H 0.12 0.48 0.53 -0.55 8.28 8.86 2og9A1 THR 16 HA 0.07 0.15 1.09 -0.75 4.39 4.96 2og9A1 THR 16 HB 0.09 0.07 0.11 -0.04 4.32 4.55 2og9A1 THR 16 HG23 0.05 0.01 -0.11 -0.04 1.22 1.13 2og9A1 TRP 17 H 0.24 0.33 0.30 -0.55 7.97 8.30 2og9A1 TRP 17 HA 0.02 0.32 0.87 -0.75 4.62 5.08 2og9A1 TRP 17 HB2 0.02 0.11 -0.69 -0.04 3.23 2.63 2og9A1 TRP 17 HB3 0.03 -0.09 -0.06 -0.04 3.23 3.07 2og9A1 TRP 17 HD1 0.03 0.13 -0.46 -0.04 7.22 6.88 2og9A1 TRP 17 HE1 0.04 0.00 -0.13 -0.04 10.20 10.07 2og9A1 TRP 17 HE3 0.05 -0.08 -0.28 -0.04 7.59 7.24 2og9A1 TRP 17 HZ2 0.05 0.01 -0.11 -0.04 7.44 7.35 2og9A1 TRP 17 HZ3 0.06 -0.02 -0.19 -0.04 7.13 6.94 2og9A1 TRP 17 HH2 0.05 0.00 -0.10 -0.04 7.19 7.10 2og9A1 VAL 18 H -0.65 0.58 0.30 -0.55 8.24 7.92 2og9A1 VAL 18 HA -0.39 0.33 1.00 -0.75 4.13 4.32 2og9A1 VAL 18 HB -0.22 -0.05 0.02 -0.04 2.12 1.83 2og9A1 VAL 18 HG13 -0.01 0.01 -0.11 -0.04 0.97 0.81 2og9A1 VAL 18 HG23 -0.11 -0.02 -0.26 -0.04 0.95 0.52 2og9A1 ARG 19 H -0.51 0.61 0.37 -0.55 8.46 8.38 2og9A1 ARG 19 HA -0.34 0.26 1.19 -0.75 4.34 4.70 2og9A1 ARG 19 HB2 -0.91 -0.02 -0.05 -0.04 1.90 0.89 2og9A1 ARG 19 HB3 -0.46 -0.07 0.10 -0.04 1.80 1.33 2og9A1 ARG 19 HG2 0.05 -0.05 -0.33 -0.04 1.67 1.30 2og9A1 ARG 19 HG3 0.02 0.17 0.03 -0.04 1.67 1.84 2og9A1 ARG 19 HD2 0.38 -0.01 -0.09 -0.04 3.22 3.46 2og9A1 ARG 19 HD3 0.34 -0.04 -0.09 -0.04 3.22 3.39 2og9A1 ILE 20 H 0.01 0.66 0.39 -0.55 8.25 8.77 2og9A1 ILE 20 HA 0.09 0.41 1.23 -0.75 4.18 5.16 2og9A1 ILE 20 HB 0.10 -0.01 -0.03 -0.04 1.89 1.91 2og9A1 ILE 20 HG12 -0.00 0.05 -0.00 -0.04 1.49 1.50 2og9A1 ILE 20 HG13 0.20 -0.14 0.06 -0.04 1.21 1.29 2og9A1 ILE 20 HG23 0.03 -0.01 -0.17 -0.04 0.93 0.74 2og9A1 ILE 20 HD13 -0.43 0.01 -0.23 -0.04 0.88 0.19 2og9A1 SER 21 H 0.23 0.63 0.39 -0.55 8.46 9.16 2og9A1 SER 21 HA 0.20 0.24 1.10 -0.75 4.49 5.27 2og9A1 SER 21 HB2 0.31 -0.09 0.06 -0.04 3.95 4.20 2og9A1 SER 21 HB3 0.17 0.06 0.02 -0.04 3.93 4.14 2og9A1 SER 22 H -0.06 0.79 0.32 -0.55 8.46 8.96 2og9A1 SER 22 HA 0.02 0.22 0.97 -0.75 4.49 4.95 2og9A1 SER 22 HB2 -0.25 -0.03 -0.00 -0.04 3.95 3.63 2og9A1 SER 22 HB3 -0.22 -0.10 0.24 -0.04 3.93 3.82 2og9A1 CYS 23 H 0.00 0.82 0.34 -0.55 8.50 9.11 2og9A1 CYS 23 HA 0.20 0.24 0.86 -0.75 4.58 5.12 2og9A1 CYS 23 HB2 0.34 -0.02 -0.09 -0.04 2.97 3.16 2og9A1 CYS 23 HB3 0.24 -0.01 0.15 -0.04 2.97 3.30 2og9A1 TYR 24 H 0.32 0.77 0.29 -0.55 8.29 9.12 2og9A1 TYR 24 HA -0.05 0.09 0.95 -0.75 4.56 4.80 2og9A1 TYR 24 HB2 -0.04 0.13 0.22 -0.04 3.06 3.33 2og9A1 TYR 24 HB3 -0.11 -0.01 -0.05 -0.04 2.98 2.77 2og9A1 TYR 24 HD2 -0.03 0.08 -0.08 -0.04 7.15 7.08 2og9A1 TYR 24 HE2 -0.03 -0.03 -0.08 -0.04 6.85 6.66 2og9A1 LEU 25 H -0.14 0.62 0.33 -0.55 8.37 8.63 2og9A1 LEU 25 HA -0.81 0.14 0.56 -0.75 4.35 3.49 2og9A1 LEU 25 HB2 -0.12 -0.03 0.07 -0.04 1.64 1.52 2og9A1 LEU 25 HB3 -0.12 -0.03 0.25 -0.04 1.64 1.70 2og9A1 LEU 25 HG -0.21 0.02 -0.33 -0.04 1.64 1.08 2og9A1 LEU 25 HD13 -0.28 0.03 0.01 -0.04 0.93 0.64 2og9A1 LEU 25 HD23 0.04 0.03 -0.13 -0.04 0.89 0.79 2og9A1 PRO 26 HA -0.28 0.14 0.69 -0.51 4.44 4.48 2og9A1 PRO 26 HB2 -0.24 0.05 -0.02 -0.04 2.28 2.03 2og9A1 PRO 26 HB3 -0.35 0.01 0.08 -0.04 2.02 1.72 2og9A1 PRO 26 HG2 -0.53 -0.02 0.09 -0.04 2.03 1.52 2og9A1 PRO 26 HG3 -0.57 0.02 0.07 -0.04 2.03 1.51 2og9A1 PRO 26 HD2 -2.51 0.01 0.25 -0.04 3.68 1.39 2og9A1 PRO 26 HD3 -1.89 0.35 0.32 -0.04 3.65 2.39 2og9A1 LEU 27 H -0.22 0.74 0.26 -0.55 8.37 8.60 2og9A1 LEU 27 HA -0.29 0.10 0.76 -0.75 4.35 4.16 2og9A1 LEU 27 HB2 -0.29 0.04 -0.16 -0.04 1.64 1.19 2og9A1 LEU 27 HB3 -0.53 -0.04 -0.10 -0.04 1.64 0.92 2og9A1 LEU 27 HG -0.23 0.02 -0.34 -0.04 1.64 1.05 2og9A1 LEU 27 HD13 -0.47 -0.01 -0.20 -0.04 0.93 0.21 2og9A1 LEU 27 HD23 -0.35 0.00 -0.20 -0.04 0.89 0.30 2og9A1 ALA 28 H -0.19 0.15 0.11 -0.55 8.40 7.92 2og9A1 ALA 28 HA -0.08 0.08 0.36 -0.75 4.34 3.95 2og9A1 ALA 28 HB3 -0.05 -0.00 0.07 -0.04 1.41 1.39 2og9A1 THR 29 H -0.24 0.01 -0.41 -0.55 8.28 7.10 2og9A1 THR 29 HA -0.08 0.25 0.90 -0.75 4.39 4.70 2og9A1 THR 29 HB 0.01 0.03 -0.11 -0.04 4.32 4.21 2og9A1 THR 29 HG23 -0.05 -0.04 -0.02 -0.04 1.22 1.08 2og9A1 PRO 30 HA -0.18 0.05 0.51 -0.51 4.44 4.31 2og9A1 PRO 30 HB2 -0.12 -0.04 0.02 -0.04 2.28 2.11 2og9A1 PRO 30 HB3 -0.11 0.05 0.07 -0.04 2.02 1.99 2og9A1 PRO 30 HG2 -0.09 0.00 0.06 -0.04 2.03 1.97 2og9A1 PRO 30 HG3 -0.11 0.10 0.06 -0.04 2.03 2.04 2og9A1 PRO 30 HD2 -0.09 0.06 0.18 -0.04 3.68 3.79 2og9A1 PRO 30 HD3 -0.10 0.28 0.03 -0.04 3.65 3.82 2og9A1 ILE 31 H -0.16 0.27 0.34 -0.55 8.25 8.14 2og9A1 ILE 31 HA -0.28 0.23 0.65 -0.75 4.18 4.02 2og9A1 ILE 31 HB -0.33 -0.03 0.04 -0.04 1.89 1.53 2og9A1 ILE 31 HG12 -0.02 -0.01 0.04 -0.04 1.49 1.45 2og9A1 ILE 31 HG13 0.17 -0.02 -0.04 -0.04 1.21 1.28 2og9A1 ILE 31 HG23 -0.33 0.07 -0.28 -0.04 0.93 0.35 2og9A1 ILE 31 HD13 -0.24 0.01 -0.05 -0.04 0.88 0.55 2og9A1 THR 45 HA -0.14 -0.06 0.30 -0.75 4.39 3.73 2og9A1 THR 45 HB -0.10 0.04 0.13 -0.04 4.32 4.34 2og9A1 THR 45 HG23 -0.08 -0.01 0.03 -0.04 1.22 1.12 2og9A1 GLU 46 H -0.06 0.31 0.22 -0.55 8.60 8.51 2og9A1 GLU 46 HA -0.14 0.19 0.67 -0.75 4.29 4.26 2og9A1 GLU 46 HB2 -0.02 -0.02 -0.14 -0.04 2.09 1.87 2og9A1 GLU 46 HB3 -0.10 0.08 -0.14 -0.04 1.99 1.78 2og9A1 GLU 46 HG2 -0.03 -0.02 -0.19 -0.04 2.34 2.06 2og9A1 GLU 46 HG3 0.05 -0.07 -0.15 -0.04 2.34 2.13 2og9A1 ILE 47 H -0.08 0.64 0.26 -0.55 8.25 8.52 2og9A1 ILE 47 HA 0.03 0.15 1.02 -0.75 4.18 4.62 2og9A1 ILE 47 HB 0.05 0.00 0.07 -0.04 1.89 1.97 2og9A1 ILE 47 HG12 0.11 0.03 -0.05 -0.04 1.49 1.54 2og9A1 ILE 47 HG13 0.05 -0.02 -0.44 -0.04 1.21 0.76 2og9A1 ILE 47 HG23 0.10 0.01 -0.21 -0.04 0.93 0.78 2og9A1 ILE 47 HD13 0.41 -0.01 -0.12 -0.04 0.88 1.13 2og9A1 ALA 48 H -0.05 0.43 0.29 -0.55 8.40 8.52 2og9A1 ALA 48 HA -0.61 0.18 0.75 -0.75 4.34 3.90 2og9A1 ALA 48 HB3 -0.36 -0.02 0.10 -0.04 1.41 1.09 2og9A1 ILE 49 H -0.25 0.96 0.47 -0.55 8.25 8.88 2og9A1 ILE 49 HA -0.05 0.18 1.12 -0.75 4.18 4.68 2og9A1 ILE 49 HB -0.28 -0.02 0.19 -0.04 1.89 1.73 2og9A1 ILE 49 HG12 -0.09 0.11 -0.04 -0.04 1.49 1.42 2og9A1 ILE 49 HG13 -0.12 -0.01 -0.02 -0.04 1.21 1.02 2og9A1 ILE 49 HG23 -0.78 0.00 -0.11 -0.04 0.93 0.01 2og9A1 ILE 49 HD13 0.05 -0.01 -0.17 -0.04 0.88 0.72 2og9A1 LEU 50 H -0.05 0.56 0.23 -0.55 8.37 8.56 2og9A1 LEU 50 HA -0.00 0.30 1.12 -0.75 4.35 5.01 2og9A1 LEU 50 HB2 0.02 -0.05 -0.08 -0.04 1.64 1.49 2og9A1 LEU 50 HB3 -0.02 -0.10 0.08 -0.04 1.64 1.56 2og9A1 LEU 50 HG -0.06 0.00 -0.37 -0.04 1.64 1.17 2og9A1 LEU 50 HD13 0.15 0.05 -0.10 -0.04 0.93 0.98 2og9A1 LEU 50 HD23 -0.09 -0.01 -0.16 -0.04 0.89 0.58 2og9A1 PHE 51 H 0.17 0.68 0.40 -0.55 8.34 9.03 2og9A1 PHE 51 HA 0.17 0.28 1.08 -0.75 4.62 5.40 2og9A1 PHE 51 HB2 0.10 -0.05 0.17 -0.04 3.15 3.33 2og9A1 PHE 51 HB3 0.12 0.03 0.01 -0.04 3.06 3.18 2og9A1 PHE 51 HD2 0.15 0.07 -0.02 -0.04 7.28 7.44 2og9A1 PHE 51 HE2 0.10 -0.01 -0.09 -0.04 7.38 7.34 2og9A1 PHE 51 HZ -0.32 0.00 -0.07 -0.04 7.32 6.90 2og9A1 ALA 52 H 0.25 0.62 0.35 -0.55 8.40 9.07 2og9A1 ALA 52 HA 0.05 0.28 1.02 -0.75 4.34 4.93 2og9A1 ALA 52 HB3 -0.14 0.01 -0.21 -0.04 1.41 1.04 2og9A1 GLU 53 H 0.03 0.67 0.39 -0.55 8.60 9.14 2og9A1 GLU 53 HA 0.15 0.32 1.13 -0.75 4.29 5.14 2og9A1 GLU 53 HB2 -0.01 -0.05 0.19 -0.04 2.09 2.17 2og9A1 GLU 53 HB3 0.30 0.01 0.04 -0.04 1.99 2.30 2og9A1 GLU 53 HG2 0.16 0.03 0.02 -0.04 2.34 2.51 2og9A1 GLU 53 HG3 0.14 -0.05 -0.27 -0.04 2.34 2.12 2og9A1 ILE 54 H 0.17 0.59 0.37 -0.55 8.25 8.83 2og9A1 ILE 54 HA 0.09 0.30 1.11 -0.75 4.18 4.92 2og9A1 ILE 54 HB 0.13 -0.06 -0.00 -0.04 1.89 1.92 2og9A1 ILE 54 HG12 0.10 0.08 -0.08 -0.04 1.49 1.54 2og9A1 ILE 54 HG13 0.18 -0.09 -0.51 -0.04 1.21 0.75 2og9A1 ILE 54 HG23 0.08 0.01 -0.14 -0.04 0.93 0.84 2og9A1 ILE 54 HD13 0.17 -0.02 -0.12 -0.04 0.88 0.87 2og9A1 GLU 55 H 0.28 0.60 0.38 -0.55 8.60 9.31 2og9A1 GLU 55 HA 0.19 0.42 1.05 -0.75 4.29 5.19 2og9A1 GLU 55 HB2 0.52 -0.06 0.03 -0.04 2.09 2.54 2og9A1 GLU 55 HB3 0.15 0.04 0.06 -0.04 1.99 2.19 2og9A1 GLU 55 HG2 0.15 0.10 0.02 -0.04 2.34 2.57 2og9A1 GLU 55 HG3 0.40 -0.06 -0.40 -0.04 2.34 2.23 2og9A1 THR 56 H 0.12 0.48 0.30 -0.55 8.28 8.64 2og9A1 THR 56 HA 0.10 0.12 1.29 -0.75 4.39 5.14 2og9A1 THR 56 HB 0.08 -0.03 0.14 -0.04 4.32 4.47 2og9A1 THR 56 HG23 0.09 0.04 -0.26 -0.04 1.22 1.04 2og9A1 ALA 57 H 0.06 0.65 0.37 -0.55 8.40 8.93 2og9A1 ALA 57 HA 0.03 0.11 0.46 -0.75 4.34 4.18 2og9A1 ALA 57 HB3 0.03 0.01 0.12 -0.04 1.41 1.53 2og9A1 GLY 58 H 0.08 -0.05 -0.24 -0.55 8.43 7.67 2og9A1 GLY 58 HA2 0.02 0.18 0.53 -0.51 4.01 4.23 2og9A1 GLY 58 HA3 0.11 0.01 0.32 -0.51 4.01 3.94 2og9A1 GLY 59 H 0.01 0.49 -0.44 -0.55 8.43 7.94 2og9A1 GLY 59 HA2 -0.04 0.02 0.30 -0.51 4.01 3.78 2og9A1 GLY 59 HA3 -0.12 0.12 0.51 -0.51 4.01 4.01 2og9A1 HIS 60 H 0.07 -0.11 -0.18 -0.55 8.41 7.65 2og9A1 HIS 60 HA 0.03 0.22 0.69 -0.75 4.63 4.81 2og9A1 HIS 60 HB2 0.03 -0.17 -0.00 -0.04 3.26 3.07 2og9A1 HIS 60 HB3 0.03 0.08 -0.01 -0.04 3.20 3.26 2og9A1 HIS 60 HD2 0.01 -0.18 -0.08 -0.04 6.97 6.67 2og9A1 HIS 60 HE1 0.01 0.09 0.02 -0.04 7.75 7.82 2og9A1 GLN 61 H 0.14 0.27 0.23 -0.55 8.47 8.57 2og9A1 GLN 61 HA 0.15 0.34 1.08 -0.75 4.36 5.18 2og9A1 GLN 61 HB2 0.10 0.01 -0.12 -0.04 2.15 2.09 2og9A1 GLN 61 HB3 0.08 -0.01 0.03 -0.04 2.02 2.09 2og9A1 GLN 61 HG2 0.13 -0.03 -0.21 -0.04 2.40 2.24 2og9A1 GLN 61 HG3 0.19 0.07 0.10 -0.04 2.39 2.71 2og9A1 GLN 61 HE21 0.05 -0.02 -0.05 -0.04 6.97 6.92 2og9A1 GLN 61 HE22 0.06 0.01 -0.06 -0.04 7.69 7.67 2og9A1 GLY 62 H 0.15 0.58 0.42 -0.55 8.43 9.04 2og9A1 GLY 62 HA2 0.10 0.12 0.82 -0.51 4.01 4.54 2og9A1 GLY 62 HA3 0.11 0.16 0.38 -0.51 4.01 4.15 2og9A1 LEU 63 H 0.12 0.22 0.29 -0.55 8.37 8.45 2og9A1 LEU 63 HA 0.17 0.35 1.15 -0.75 4.35 5.27 2og9A1 LEU 63 HB2 0.13 -0.00 -0.00 -0.04 1.64 1.72 2og9A1 LEU 63 HB3 0.13 -0.01 0.14 -0.04 1.64 1.85 2og9A1 LEU 63 HG 0.31 -0.00 -0.25 -0.04 1.64 1.66 2og9A1 LEU 63 HD13 0.19 0.03 0.06 -0.04 0.93 1.18 2og9A1 LEU 63 HD23 0.12 0.00 -0.17 -0.04 0.89 0.80 2og9A1 GLY 64 H 0.23 0.61 0.45 -0.55 8.43 9.18 2og9A1 GLY 64 HA2 0.17 0.11 0.72 -0.51 4.01 4.50 2og9A1 GLY 64 HA3 0.11 0.03 0.41 -0.51 4.01 4.05 2og9A1 PHE 65 H -0.19 0.22 0.29 -0.55 8.34 8.11 2og9A1 PHE 65 HA -0.02 0.30 0.78 -0.75 4.62 4.92 2og9A1 PHE 65 HB2 -0.29 0.07 0.11 -0.04 3.15 3.01 2og9A1 PHE 65 HB3 0.09 0.05 -0.17 -0.04 3.06 2.98 2og9A1 PHE 65 HD2 0.16 0.04 -0.30 -0.04 7.28 7.14 2og9A1 PHE 65 HE2 0.05 -0.01 -0.15 -0.04 7.38 7.23 2og9A1 PHE 65 HZ -0.05 -0.03 -0.13 -0.04 7.32 7.06 2og9A1 SER 66 H 0.12 0.48 0.41 -0.55 8.46 8.91 2og9A1 SER 66 HA 0.10 0.07 0.67 -0.75 4.49 4.57 2og9A1 SER 66 HB2 -0.02 0.01 0.15 -0.04 3.95 4.05 2og9A1 SER 66 HB3 -0.01 0.07 0.01 -0.04 3.93 3.95 2og9A1 TYR 67 H -0.10 0.31 0.16 -0.55 8.29 8.11 2og9A1 TYR 67 HA -0.00 0.20 0.78 -0.75 4.56 4.79 2og9A1 TYR 67 HB2 0.05 0.08 0.03 -0.04 3.06 3.18 2og9A1 TYR 67 HB3 0.25 0.01 -0.36 -0.04 2.98 2.84 2og9A1 TYR 67 HD2 0.11 -0.02 -0.30 -0.04 7.15 6.89 2og9A1 TYR 67 HE2 -0.01 -0.02 -0.10 -0.04 6.85 6.69 2og9A1 SER 68 H 0.11 0.59 0.25 -0.55 8.46 8.86 2og9A1 SER 68 HA -0.17 0.15 0.72 -0.75 4.49 4.43 2og9A1 SER 68 HB2 -0.02 -0.14 0.00 -0.04 3.95 3.75 2og9A1 SER 68 HB3 -0.03 0.20 -0.26 -0.04 3.93 3.81 2og9A1 LYS 69 H 0.03 0.24 0.07 -0.55 8.42 8.20 2og9A1 LYS 69 HA 0.09 0.12 0.85 -0.75 4.32 4.61 2og9A1 LYS 69 HB2 0.09 0.00 0.16 -0.04 1.87 2.09 2og9A1 LYS 69 HB3 0.08 0.05 0.04 -0.04 1.79 1.92 2og9A1 LYS 69 HG2 0.10 0.05 -0.01 -0.04 1.46 1.56 2og9A1 LYS 69 HG3 0.22 -0.08 -0.17 -0.04 1.46 1.39 2og9A1 LYS 69 HD2 -0.03 -0.02 -0.06 -0.04 1.69 1.55 2og9A1 LYS 69 HD3 0.08 0.02 -0.01 -0.04 1.68 1.73 2og9A1 LYS 69 HE2 0.17 0.04 -0.04 -0.04 2.99 3.11 2og9A1 LYS 69 HE3 -0.05 -0.02 -0.06 -0.04 2.99 2.82 2og9A1 ARG 70 H 0.04 0.19 0.15 -0.55 8.46 8.29 2og9A1 ARG 70 HA 0.03 0.05 0.33 -0.75 4.34 3.99 2og9A1 ARG 70 HB2 0.02 0.39 0.45 -0.04 1.90 2.72 2og9A1 ARG 70 HB3 0.01 -0.19 0.28 -0.04 1.80 1.86 2og9A1 ARG 70 HG2 0.01 0.02 0.04 -0.04 1.67 1.71 2og9A1 ARG 70 HG3 0.03 -0.06 -0.35 -0.04 1.67 1.25 2og9A1 ARG 70 HD2 0.01 0.03 0.01 -0.04 3.22 3.23 2og9A1 ARG 70 HD3 0.01 -0.04 0.04 -0.04 3.22 3.19 2og9A1 ALA 71 H 0.01 0.12 0.14 -0.55 8.40 8.13 2og9A1 ALA 71 HA 0.03 -0.05 0.35 -0.75 4.34 3.92 2og9A1 ALA 71 HB3 0.01 0.02 0.10 -0.04 1.41 1.50 2og9A1 GLY 72 H 0.04 0.04 0.15 -0.55 8.43 8.11 2og9A1 GLY 72 HA2 0.00 -0.02 0.32 -0.51 4.01 3.81 2og9A1 GLY 72 HA3 -0.01 0.28 0.70 -0.51 4.01 4.47 2og9A1 GLY 73 H 0.03 0.27 0.07 -0.55 8.43 8.26 2og9A1 GLY 73 HA2 -0.02 0.09 0.27 -0.51 4.01 3.84 2og9A1 GLY 73 HA3 -0.01 0.11 0.29 -0.51 4.01 3.88 2og9A1 PRO 74 HA 0.17 0.10 0.42 -0.51 4.44 4.63 2og9A1 PRO 74 HB2 0.08 -0.01 0.01 -0.04 2.28 2.32 2og9A1 PRO 74 HB3 0.10 0.10 0.03 -0.04 2.02 2.21 2og9A1 PRO 74 HG2 0.09 0.08 0.03 -0.04 2.03 2.18 2og9A1 PRO 74 HG3 0.15 0.11 0.02 -0.04 2.03 2.27 2og9A1 PRO 74 HD2 0.09 -0.08 0.04 -0.04 3.68 3.69 2og9A1 PRO 74 HD3 0.20 0.14 0.11 -0.04 3.65 4.06 2og9A1 GLY 75 H 0.07 0.09 -0.31 -0.55 8.43 7.72 2og9A1 GLY 75 HA2 0.07 0.07 0.37 -0.51 4.01 4.01 2og9A1 GLY 75 HA3 0.04 0.04 0.25 -0.51 4.01 3.83 2og9A1 GLN 76 H 0.05 0.55 -0.12 -0.55 8.47 8.40 2og9A1 GLN 76 HA 0.03 0.07 0.38 -0.75 4.36 4.09 2og9A1 GLN 76 HB2 0.04 0.09 0.05 -0.04 2.15 2.28 2og9A1 GLN 76 HB3 0.01 -0.03 -0.11 -0.04 2.02 1.85 2og9A1 GLN 76 HG2 -0.02 0.01 0.02 -0.04 2.40 2.36 2og9A1 GLN 76 HG3 -0.01 0.14 -0.02 -0.04 2.39 2.45 2og9A1 GLN 76 HE21 -0.15 0.25 -0.06 -0.04 6.97 6.97 2og9A1 GLN 76 HE22 -0.09 -0.07 -0.06 -0.04 7.69 7.44 2og9A1 PHE 77 H 0.21 0.49 -0.17 -0.55 8.34 8.32 2og9A1 PHE 77 HA 0.01 0.04 0.32 -0.75 4.62 4.23 2og9A1 PHE 77 HB2 0.03 0.00 0.00 -0.04 3.15 3.14 2og9A1 PHE 77 HB3 0.05 0.07 0.09 -0.04 3.06 3.23 2og9A1 PHE 77 HD2 0.04 0.02 -0.24 -0.04 7.28 7.06 2og9A1 PHE 77 HE2 0.05 0.08 -0.25 -0.04 7.38 7.21 2og9A1 PHE 77 HZ 0.04 0.06 -0.38 -0.04 7.32 7.00 2og9A1 ALA 78 H 0.19 0.58 -0.11 -0.55 8.40 8.51 2og9A1 ALA 78 HA -0.07 0.01 0.34 -0.75 4.34 3.87 2og9A1 ALA 78 HB3 0.09 0.02 0.08 -0.04 1.41 1.56 2og9A1 HIS 79 H 0.10 0.50 -0.25 -0.55 8.41 8.21 2og9A1 HIS 79 HA -0.04 0.04 0.45 -0.75 4.63 4.33 2og9A1 HIS 79 HB2 -0.02 0.03 0.07 -0.04 3.26 3.31 2og9A1 HIS 79 HB3 -0.03 0.07 0.06 -0.04 3.20 3.26 2og9A1 HIS 79 HD2 -0.04 0.07 -0.05 -0.04 6.97 6.91 2og9A1 HIS 79 HE1 -0.03 0.01 0.01 -0.04 7.75 7.69 2og9A1 ALA 80 H -0.01 0.61 -0.10 -0.55 8.40 8.36 2og9A1 ALA 80 HA 0.16 -0.01 0.29 -0.75 4.34 4.02 2og9A1 ALA 80 HB3 -0.11 0.01 0.05 -0.04 1.41 1.32 2og9A1 ARG 81 H -0.34 0.63 -0.26 -0.55 8.46 7.94 2og9A1 ARG 81 HA -0.18 -0.02 0.34 -0.75 4.34 3.72 2og9A1 ARG 81 HB2 -0.75 -0.03 0.00 -0.04 1.90 1.08 2og9A1 ARG 81 HB3 -0.31 0.13 0.08 -0.04 1.80 1.67 2og9A1 ARG 81 HG2 -0.11 0.03 -0.22 -0.04 1.67 1.33 2og9A1 ARG 81 HG3 -0.12 -0.06 -0.02 -0.04 1.67 1.43 2og9A1 ARG 81 HD2 0.02 -0.02 -0.03 -0.04 3.22 3.15 2og9A1 ARG 81 HD3 -0.03 -0.03 -0.08 -0.04 3.22 3.04 2og9A1 GLU 82 H -0.17 0.39 -0.21 -0.55 8.60 8.06 2og9A1 GLU 82 HA -0.10 0.03 0.46 -0.75 4.29 3.92 2og9A1 GLU 82 HB2 -0.09 -0.01 0.12 -0.04 2.09 2.07 2og9A1 GLU 82 HB3 -0.23 0.08 0.16 -0.04 1.99 1.96 2og9A1 GLU 82 HG2 -0.13 0.03 -0.16 -0.04 2.34 2.05 2og9A1 GLU 82 HG3 -0.07 -0.04 0.07 -0.04 2.34 2.26 2og9A1 ILE 83 H -0.21 0.46 -0.17 -0.55 8.25 7.78 2og9A1 ILE 83 HA -0.16 0.17 0.81 -0.75 4.18 4.25 2og9A1 ILE 83 HB -0.17 -0.06 0.05 -0.04 1.89 1.67 2og9A1 ILE 83 HG12 -0.12 0.19 0.01 -0.04 1.49 1.53 2og9A1 ILE 83 HG13 -0.13 -0.01 -0.28 -0.04 1.21 0.74 2og9A1 ILE 83 HG23 -0.40 0.04 -0.10 -0.04 0.93 0.42 2og9A1 ILE 83 HD13 0.01 -0.04 -0.15 -0.04 0.88 0.66 2og9A1 ALA 84 H -0.13 0.44 -0.20 -0.55 8.40 7.97 2og9A1 ALA 84 HA -0.54 -0.05 0.28 -0.75 4.34 3.27 2og9A1 ALA 84 HB3 -0.08 0.04 -0.00 -0.04 1.41 1.32 2og9A1 PRO 85 HA -0.09 -0.03 0.36 -0.51 4.44 4.16 2og9A1 PRO 85 HB2 -0.07 0.07 -0.05 -0.04 2.28 2.19 2og9A1 PRO 85 HB3 -0.05 -0.03 0.06 -0.04 2.02 1.96 2og9A1 PRO 85 HG2 -0.06 0.08 0.02 -0.04 2.03 2.02 2og9A1 PRO 85 HG3 -0.07 -0.04 0.02 -0.04 2.03 1.90 2og9A1 PRO 85 HD2 -0.12 0.25 -0.46 -0.04 3.68 3.32 2og9A1 PRO 85 HD3 -0.11 0.21 -0.06 -0.04 3.65 3.65 2og9A1 ALA 86 H -0.14 0.59 -0.42 -0.55 8.40 7.88 2og9A1 ALA 86 HA -0.07 0.04 0.38 -0.75 4.34 3.93 2og9A1 ALA 86 HB3 -0.10 0.01 0.04 -0.04 1.41 1.32 2og9A1 LEU 87 H -0.19 0.57 -0.36 -0.55 8.37 7.84 2og9A1 LEU 87 HA -0.11 0.07 0.59 -0.75 4.35 4.15 2og9A1 LEU 87 HB2 -0.25 0.18 0.03 -0.04 1.64 1.56 2og9A1 LEU 87 HB3 -0.14 -0.12 -0.08 -0.04 1.64 1.27 2og9A1 LEU 87 HG -0.42 0.05 -0.11 -0.04 1.64 1.12 2og9A1 LEU 87 HD13 -0.61 -0.02 -0.08 -0.04 0.93 0.18 2og9A1 LEU 87 HD23 -0.12 -0.01 -0.11 -0.04 0.89 0.60 2og9A1 ILE 88 H -0.08 0.28 -0.18 -0.55 8.25 7.72 2og9A1 ILE 88 HA -0.02 0.00 0.25 -0.75 4.18 3.66 2og9A1 ILE 88 HB -0.03 0.10 0.10 -0.04 1.89 2.02 2og9A1 ILE 88 HG12 -0.07 0.03 -0.01 -0.04 1.49 1.40 2og9A1 ILE 88 HG13 -0.02 -0.07 -0.08 -0.04 1.21 0.99 2og9A1 ILE 88 HG23 0.01 -0.01 -0.06 -0.04 0.93 0.83 2og9A1 ILE 88 HD13 -0.01 0.02 -0.41 -0.04 0.88 0.44 2og9A1 GLY 89 H 0.01 0.88 0.37 -0.55 8.43 9.15 2og9A1 GLY 89 HA2 0.01 -0.05 0.39 -0.51 4.01 3.85 2og9A1 GLY 89 HA3 -0.00 0.11 0.60 -0.51 4.01 4.20 2og9A1 GLU 90 H -0.02 0.48 -0.34 -0.55 8.60 8.18 2og9A1 GLU 90 HA -0.01 0.10 0.60 -0.75 4.29 4.22 2og9A1 GLU 90 HB2 -0.03 0.12 0.02 -0.04 2.09 2.16 2og9A1 GLU 90 HB3 -0.02 -0.08 -0.04 -0.04 1.99 1.82 2og9A1 GLU 90 HG2 -0.03 0.14 -0.19 -0.04 2.34 2.22 2og9A1 GLU 90 HG3 -0.03 0.06 0.02 -0.04 2.34 2.35 2og9A1 ASP 91 H -0.01 0.14 0.16 -0.55 8.40 8.15 2og9A1 ASP 91 HA -0.01 0.27 0.45 -0.75 4.63 4.59 2og9A1 ASP 91 HB2 -0.01 0.13 0.21 -0.04 2.71 3.00 2og9A1 ASP 91 HB3 -0.02 -0.04 0.23 -0.04 2.70 2.83 2og9A1 PRO 92 HA -0.04 0.12 0.23 -0.51 4.44 4.25 2og9A1 PRO 92 HB2 -0.04 0.07 -0.12 -0.04 2.28 2.16 2og9A1 PRO 92 HB3 -0.00 0.05 -0.06 -0.04 2.02 1.97 2og9A1 PRO 92 HG2 -0.05 0.04 -0.12 -0.04 2.03 1.85 2og9A1 PRO 92 HG3 -0.00 0.01 -0.13 -0.04 2.03 1.86 2og9A1 PRO 92 HD2 -0.01 0.00 -0.12 -0.04 3.68 3.51 2og9A1 PRO 92 HD3 0.00 0.21 0.01 -0.04 3.65 3.82 2og9A1 SER 93 H -0.07 0.01 -0.46 -0.55 8.46 7.41 2og9A1 SER 93 HA -0.16 0.17 0.44 -0.75 4.49 4.18 2og9A1 SER 93 HB2 -0.07 -0.08 0.01 -0.04 3.95 3.76 2og9A1 SER 93 HB3 -0.10 0.05 0.02 -0.04 3.93 3.87 2og9A1 ASP 94 H -0.06 0.39 -0.32 -0.55 8.40 7.86 2og9A1 ASP 94 HA -0.06 0.12 0.61 -0.75 4.63 4.55 2og9A1 ASP 94 HB2 -0.02 0.14 0.18 -0.04 2.71 2.98 2og9A1 ASP 94 HB3 -0.00 -0.09 0.15 -0.04 2.70 2.72 2og9A1 ILE 95 H -0.18 0.53 -0.27 -0.55 8.25 7.78 2og9A1 ILE 95 HA -0.05 0.11 0.23 -0.75 4.18 3.71 2og9A1 ILE 95 HB -0.35 -0.03 0.09 -0.04 1.89 1.56 2og9A1 ILE 95 HG12 -0.32 0.12 -0.05 -0.04 1.49 1.19 2og9A1 ILE 95 HG13 -0.43 0.15 -0.02 -0.04 1.21 0.87 2og9A1 ILE 95 HG23 -0.18 -0.01 -0.11 -0.04 0.93 0.59 2og9A1 ILE 95 HD13 -1.39 0.01 -0.14 -0.04 0.88 -0.67 2og9A1 ALA 96 H 0.01 0.18 -0.03 -0.55 8.40 8.02 2og9A1 ALA 96 HA 0.17 0.07 0.42 -0.75 4.34 4.24 2og9A1 ALA 96 HB3 0.07 0.03 0.05 -0.04 1.41 1.52 2og9A1 LYS 97 H 0.07 0.09 -0.30 -0.55 8.42 7.72 2og9A1 LYS 97 HA 0.13 0.05 0.38 -0.75 4.32 4.12 2og9A1 LYS 97 HB2 0.05 -0.04 0.08 -0.04 1.87 1.92 2og9A1 LYS 97 HB3 0.04 0.20 0.09 -0.04 1.79 2.08 2og9A1 LYS 97 HG2 0.06 0.01 -0.16 -0.04 1.46 1.33 2og9A1 LYS 97 HG3 0.06 -0.01 0.03 -0.04 1.46 1.50 2og9A1 LYS 97 HD2 0.02 0.01 -0.00 -0.04 1.69 1.68 2og9A1 LYS 97 HD3 0.02 -0.02 0.02 -0.04 1.68 1.66 2og9A1 LYS 97 HE2 0.01 0.03 0.04 -0.04 2.99 3.04 2og9A1 LYS 97 HE3 0.01 0.03 -0.04 -0.04 2.99 2.95 2og9A1 LEU 98 H 0.08 0.53 -0.18 -0.55 8.37 8.26 2og9A1 LEU 98 HA 0.06 0.04 0.45 -0.75 4.35 4.14 2og9A1 LEU 98 HB2 0.06 0.11 0.03 -0.04 1.64 1.79 2og9A1 LEU 98 HB3 0.02 -0.03 -0.07 -0.04 1.64 1.52 2og9A1 LEU 98 HG 0.01 0.10 -0.02 -0.04 1.64 1.69 2og9A1 LEU 98 HD13 -0.02 -0.01 -0.24 -0.04 0.93 0.62 2og9A1 LEU 98 HD23 -0.01 -0.02 -0.05 -0.04 0.89 0.77 2og9A1 TRP 99 H 0.31 0.44 -0.21 -0.55 7.97 7.96 2og9A1 TRP 99 HA 0.08 0.03 0.42 -0.75 4.62 4.39 2og9A1 TRP 99 HB2 0.09 0.04 0.14 -0.04 3.23 3.46 2og9A1 TRP 99 HB3 0.08 0.10 0.14 -0.04 3.23 3.51 2og9A1 TRP 99 HD1 0.13 -0.08 0.00 -0.04 7.22 7.23 2og9A1 TRP 99 HE1 0.08 0.53 0.13 -0.04 10.20 10.90 2og9A1 TRP 99 HE3 0.03 0.04 -0.36 -0.04 7.59 7.25 2og9A1 TRP 99 HZ2 0.03 0.09 0.09 -0.04 7.44 7.60 2og9A1 TRP 99 HZ3 -0.05 -0.02 -0.04 -0.04 7.13 6.98 2og9A1 TRP 99 HH2 -0.02 0.05 0.06 -0.04 7.19 7.25 2og9A1 ASP 100 H 0.38 0.53 -0.15 -0.55 8.40 8.61 2og9A1 ASP 100 HA 0.31 0.01 0.39 -0.75 4.63 4.58 2og9A1 ASP 100 HB2 0.29 0.18 0.16 -0.04 2.71 3.29 2og9A1 ASP 100 HB3 0.46 -0.05 -0.00 -0.04 2.70 3.06 2og9A1 LYS 101 H 0.17 0.47 -0.11 -0.55 8.42 8.40 2og9A1 LYS 101 HA 0.24 0.00 0.43 -0.75 4.32 4.23 2og9A1 LYS 101 HB2 0.08 0.01 0.10 -0.04 1.87 2.02 2og9A1 LYS 101 HB3 0.05 0.07 0.13 -0.04 1.79 2.00 2og9A1 LYS 101 HG2 0.02 -0.01 -0.21 -0.04 1.46 1.22 2og9A1 LYS 101 HG3 0.04 -0.06 0.03 -0.04 1.46 1.43 2og9A1 LYS 101 HD2 0.00 -0.07 -0.01 -0.04 1.69 1.57 2og9A1 LYS 101 HD3 -0.02 0.07 -0.04 -0.04 1.68 1.65 2og9A1 LYS 101 HE2 -0.03 -0.04 0.01 -0.04 2.99 2.89 2og9A1 LYS 101 HE3 -0.01 -0.09 -0.00 -0.04 2.99 2.85 2og9A1 LEU 102 H -0.02 0.62 -0.19 -0.55 8.37 8.24 2og9A1 LEU 102 HA -0.06 0.05 0.40 -0.75 4.35 3.98 2og9A1 LEU 102 HB2 -0.21 0.11 0.10 -0.04 1.64 1.60 2og9A1 LEU 102 HB3 -0.14 -0.06 -0.04 -0.04 1.64 1.36 2og9A1 LEU 102 HG -0.10 0.14 -0.01 -0.04 1.64 1.63 2og9A1 LEU 102 HD13 -0.18 -0.03 -0.10 -0.04 0.93 0.59 2og9A1 LEU 102 HD23 -0.18 -0.02 -0.14 -0.04 0.89 0.51 2og9A1 CYS 103 H -0.19 0.44 -0.29 -0.55 8.50 7.91 2og9A1 CYS 103 HA -0.27 0.04 0.34 -0.75 4.58 3.94 2og9A1 CYS 103 HB2 -0.71 0.09 0.08 -0.04 2.97 2.39 2og9A1 CYS 103 HB3 -0.29 0.06 0.11 -0.04 2.97 2.80 2og9A1 TRP 104 H 0.12 0.67 -0.11 -0.55 7.97 8.09 2og9A1 TRP 104 HA 0.00 -0.03 0.42 -0.75 4.62 4.26 2og9A1 TRP 104 HB2 -0.00 0.14 0.18 -0.04 3.23 3.50 2og9A1 TRP 104 HB3 -0.00 -0.06 0.01 -0.04 3.23 3.14 2og9A1 TRP 104 HD1 0.05 0.08 -0.19 -0.04 7.22 7.12 2og9A1 TRP 104 HE1 0.06 -0.04 -0.03 -0.04 10.20 10.15 2og9A1 TRP 104 HE3 0.01 -0.02 0.07 -0.04 7.59 7.61 2og9A1 TRP 104 HZ2 0.04 -0.01 -0.02 -0.04 7.44 7.41 2og9A1 TRP 104 HZ3 0.02 -0.02 0.00 -0.04 7.13 7.09 2og9A1 TRP 104 HH2 0.03 -0.02 -0.01 -0.04 7.19 7.15 2og9A1 ALA 105 H 0.11 0.49 -0.32 -0.55 8.40 8.13 2og9A1 ALA 105 HA 0.08 -0.02 0.38 -0.75 4.34 4.03 2og9A1 ALA 105 HB3 -0.01 0.05 0.10 -0.04 1.41 1.51 2og9A1 GLY 106 H 0.03 0.40 -0.82 -0.55 8.43 7.50 2og9A1 GLY 106 HA2 0.08 0.10 0.75 -0.51 4.01 4.43 2og9A1 GLY 106 HA3 0.14 -0.02 0.31 -0.51 4.01 3.93 2og9A1 ALA 107 H 0.08 0.48 -0.11 -0.55 8.40 8.31 2og9A1 ALA 107 HA -0.12 0.15 0.38 -0.75 4.34 4.00 2og9A1 ALA 107 HB3 0.13 -0.00 0.13 -0.04 1.41 1.62 2og9A1 SER 108 H 0.03 0.14 -0.22 -0.55 8.46 7.86 2og9A1 SER 108 HA 0.00 0.08 0.46 -0.75 4.49 4.29 2og9A1 SER 108 HB2 0.01 -0.01 0.12 -0.04 3.95 4.04 2og9A1 SER 108 HB3 0.03 -0.01 0.08 -0.04 3.93 3.99 2og9A1 ALA 109 H -0.03 0.56 -0.47 -0.55 8.40 7.91 2og9A1 ALA 109 HA -0.06 0.06 0.67 -0.75 4.34 4.25 2og9A1 ALA 109 HB3 -0.13 0.02 0.11 -0.04 1.41 1.37 2og9A1 GLY 110 H -0.07 0.41 -0.17 -0.55 8.43 8.05 2og9A1 GLY 110 HA2 -0.07 0.04 0.32 -0.51 4.01 3.79 2og9A1 GLY 110 HA3 -0.05 0.05 0.60 -0.51 4.01 4.10 2og9A1 ARG 111 H -0.02 0.10 0.14 -0.55 8.46 8.12 2og9A1 ARG 111 HA -0.00 0.27 0.89 -0.75 4.34 4.74 2og9A1 ARG 111 HB2 0.04 -0.05 0.11 -0.04 1.90 1.96 2og9A1 ARG 111 HB3 0.16 -0.02 0.24 -0.04 1.80 2.14 2og9A1 ARG 111 HG2 -0.04 0.09 -0.07 -0.04 1.67 1.61 2og9A1 ARG 111 HG3 -0.08 -0.03 -0.10 -0.04 1.67 1.42 2og9A1 ARG 111 HD2 0.00 -0.03 0.01 -0.04 3.22 3.16 2og9A1 ARG 111 HD3 0.08 -0.02 0.03 -0.04 3.22 3.26 2og9A1 SER 112 H -0.01 0.32 -0.06 -0.55 8.46 8.16 2og9A1 SER 112 HA 0.09 0.28 0.65 -0.75 4.49 4.76 2og9A1 SER 112 HB2 0.06 0.03 0.02 -0.04 3.95 4.02 2og9A1 SER 112 HB3 0.07 -0.02 -0.21 -0.04 3.93 3.72 2og9A1 GLY 113 H 0.03 0.35 0.22 -0.55 8.43 8.49 2og9A1 GLY 113 HA2 -0.01 0.09 0.38 -0.51 4.01 3.97 2og9A1 GLY 113 HA3 -0.03 0.14 0.77 -0.51 4.01 4.38 2og9A1 LEU 114 H -0.06 0.18 0.18 -0.55 8.37 8.13 2og9A1 LEU 114 HA -0.05 0.09 0.34 -0.75 4.35 3.97 2og9A1 LEU 114 HB2 -0.09 0.04 0.09 -0.04 1.64 1.63 2og9A1 LEU 114 HB3 -0.05 0.01 -0.11 -0.04 1.64 1.45 2og9A1 LEU 114 HG -0.04 0.00 0.11 -0.04 1.64 1.68 2og9A1 LEU 114 HD13 -0.02 -0.02 0.00 -0.04 0.93 0.86 2og9A1 LEU 114 HD23 -0.03 0.02 0.05 -0.04 0.89 0.89 2og9A1 SER 115 H -0.18 0.21 -0.19 -0.55 8.46 7.75 2og9A1 SER 115 HA -0.32 0.07 0.40 -0.75 4.49 3.88 2og9A1 SER 115 HB2 -0.36 0.08 -0.03 -0.04 3.95 3.59 2og9A1 SER 115 HB3 -0.64 -0.01 0.06 -0.04 3.93 3.30 2og9A1 THR 116 H -0.08 0.19 -0.40 -0.55 8.28 7.44 2og9A1 THR 116 HA -0.19 0.10 0.42 -0.75 4.39 3.96 2og9A1 THR 116 HB 0.25 0.05 -0.04 -0.04 4.32 4.54 2og9A1 THR 116 HG23 -0.12 0.05 -0.21 -0.04 1.22 0.90 2og9A1 GLN 117 H -0.02 0.39 -0.33 -0.55 8.47 7.96 2og9A1 GLN 117 HA 0.04 0.10 0.51 -0.75 4.36 4.27 2og9A1 GLN 117 HB2 -0.04 0.01 0.08 -0.04 2.15 2.17 2og9A1 GLN 117 HB3 -0.05 -0.06 0.07 -0.04 2.02 1.94 2og9A1 GLN 117 HG2 -0.00 0.13 0.09 -0.04 2.40 2.57 2og9A1 GLN 117 HG3 -0.00 0.35 0.07 -0.04 2.39 2.76 2og9A1 GLN 117 HE21 -0.07 -0.07 0.06 -0.04 6.97 6.84 2og9A1 GLN 117 HE22 -0.02 0.39 0.22 -0.04 7.69 8.24 2og9A1 ALA 118 H -0.01 0.45 -0.25 -0.55 8.40 8.05 2og9A1 ALA 118 HA -0.06 -0.01 0.37 -0.75 4.34 3.88 2og9A1 ALA 118 HB3 0.08 0.05 0.10 -0.04 1.41 1.61 2og9A1 ILE 119 H -0.00 0.46 -0.22 -0.55 8.25 7.93 2og9A1 ILE 119 HA 0.24 0.01 0.31 -0.75 4.18 3.99 2og9A1 ILE 119 HB -0.29 0.13 0.15 -0.04 1.89 1.84 2og9A1 ILE 119 HG12 -0.13 -0.05 -0.08 -0.04 1.49 1.18 2og9A1 ILE 119 HG13 -0.07 0.21 -0.00 -0.04 1.21 1.31 2og9A1 ILE 119 HG23 -0.70 -0.00 -0.08 -0.04 0.93 0.11 2og9A1 ILE 119 HD13 -0.54 0.03 -0.26 -0.04 0.88 0.07 2og9A1 GLY 120 H 0.07 0.47 -0.46 -0.55 8.43 7.96 2og9A1 GLY 120 HA2 0.27 0.08 0.16 -0.51 4.01 4.00 2og9A1 GLY 120 HA3 0.13 0.03 -0.02 -0.51 4.01 3.64 2og9A1 ALA 121 H -0.08 0.50 -0.42 -0.55 8.40 7.84 2og9A1 ALA 121 HA -0.05 -0.01 0.21 -0.75 4.34 3.73 2og9A1 ALA 121 HB3 -0.25 0.04 -0.10 -0.04 1.41 1.06 2og9A1 PHE 122 H -0.16 0.41 -0.26 -0.55 8.34 7.78 2og9A1 PHE 122 HA 0.06 0.02 0.33 -0.75 4.62 4.28 2og9A1 PHE 122 HB2 0.02 0.19 0.08 -0.04 3.15 3.40 2og9A1 PHE 122 HB3 0.02 -0.04 -0.08 -0.04 3.06 2.92 2og9A1 PHE 122 HD2 -0.03 -0.02 -0.08 -0.04 7.28 7.11 2og9A1 PHE 122 HE2 -0.08 -0.03 -0.14 -0.04 7.38 7.10 2og9A1 PHE 122 HZ -0.10 0.09 -0.10 -0.04 7.32 7.17 2og9A1 ASP 123 H 0.26 0.64 -0.07 -0.55 8.40 8.67 2og9A1 ASP 123 HA 0.28 0.03 0.35 -0.75 4.63 4.53 2og9A1 ASP 123 HB2 0.50 0.15 0.07 -0.04 2.71 3.39 2og9A1 ASP 123 HB3 0.32 0.07 0.21 -0.04 2.70 3.26 2og9A1 VAL 124 H 0.15 0.71 -0.15 -0.55 8.24 8.40 2og9A1 VAL 124 HA 0.20 -0.04 0.47 -0.75 4.13 4.00 2og9A1 VAL 124 HB 0.00 0.04 0.27 -0.04 2.12 2.39 2og9A1 VAL 124 HG13 -0.07 0.03 0.07 -0.04 0.97 0.96 2og9A1 VAL 124 HG23 -0.10 0.08 0.13 -0.04 0.95 1.02 2og9A1 ALA 125 H 0.14 0.43 -0.31 -0.55 8.40 8.12 2og9A1 ALA 125 HA 0.13 0.07 0.01 -0.75 4.34 3.80 2og9A1 ALA 125 HB3 0.16 0.06 -0.14 -0.04 1.41 1.45 2og9A1 LEU 126 H 0.15 0.58 -0.24 -0.55 8.37 8.31 2og9A1 LEU 126 HA 0.02 -0.01 0.35 -0.75 4.35 3.97 2og9A1 LEU 126 HB2 0.01 0.09 0.13 -0.04 1.64 1.83 2og9A1 LEU 126 HB3 -0.14 0.04 -0.00 -0.04 1.64 1.50 2og9A1 LEU 126 HG 0.10 0.14 -0.06 -0.04 1.64 1.78 2og9A1 LEU 126 HD13 0.03 -0.01 -0.12 -0.04 0.93 0.79 2og9A1 LEU 126 HD23 0.00 0.01 -0.05 -0.04 0.89 0.81 2og9A1 TRP 127 H 0.26 0.48 -0.15 -0.55 7.97 8.01 2og9A1 TRP 127 HA 0.01 0.04 0.49 -0.75 4.62 4.40 2og9A1 TRP 127 HB2 -0.01 0.10 0.22 -0.04 3.23 3.50 2og9A1 TRP 127 HB3 -0.03 -0.00 -0.01 -0.04 3.23 3.15 2og9A1 TRP 127 HD1 0.04 0.12 -0.04 -0.04 7.22 7.31 2og9A1 TRP 127 HE1 0.03 -0.11 -0.08 -0.04 10.20 9.99 2og9A1 TRP 127 HE3 -0.01 -0.02 0.01 -0.04 7.59 7.54 2og9A1 TRP 127 HZ2 0.01 -0.05 -0.05 -0.04 7.44 7.31 2og9A1 TRP 127 HZ3 0.00 0.10 -0.07 -0.04 7.13 7.12 2og9A1 TRP 127 HH2 0.01 0.06 -0.03 -0.04 7.19 7.19 2og9A1 ASP 128 H 0.19 0.64 -0.05 -0.55 8.40 8.63 2og9A1 ASP 128 HA 0.07 -0.09 0.55 -0.75 4.63 4.40 2og9A1 ASP 128 HB2 0.08 0.13 0.29 -0.04 2.71 3.16 2og9A1 ASP 128 HB3 0.10 0.09 0.37 -0.04 2.70 3.22 2og9A1 LEU 129 H 0.07 0.57 -0.13 -0.55 8.37 8.33 2og9A1 LEU 129 HA 0.06 0.18 0.45 -0.75 4.35 4.28 2og9A1 LEU 129 HB2 0.07 -0.01 -0.13 -0.04 1.64 1.53 2og9A1 LEU 129 HB3 0.01 0.12 0.07 -0.04 1.64 1.80 2og9A1 LEU 129 HG 0.10 -0.05 -0.21 -0.04 1.64 1.44 2og9A1 LEU 129 HD13 0.08 -0.02 -0.33 -0.04 0.93 0.63 2og9A1 LEU 129 HD23 -0.08 -0.01 -0.36 -0.04 0.89 0.40 2og9A1 LYS 130 H -0.03 0.56 -0.13 -0.55 8.42 8.25 2og9A1 LYS 130 HA -0.10 -0.01 0.39 -0.75 4.32 3.84 2og9A1 LYS 130 HB2 -0.22 0.00 0.09 -0.04 1.87 1.71 2og9A1 LYS 130 HB3 -0.12 0.07 0.15 -0.04 1.79 1.85 2og9A1 LYS 130 HG2 -0.04 0.05 -0.21 -0.04 1.46 1.22 2og9A1 LYS 130 HG3 -0.11 -0.06 0.04 -0.04 1.46 1.28 2og9A1 LYS 130 HD2 -0.42 -0.00 -0.00 -0.04 1.69 1.23 2og9A1 LYS 130 HD3 -0.14 0.02 -0.01 -0.04 1.68 1.52 2og9A1 LYS 130 HE2 -0.19 -0.08 0.06 -0.04 2.99 2.73 2og9A1 LYS 130 HE3 -0.36 0.01 0.06 -0.04 2.99 2.66 2og9A1 ALA 131 H 0.07 0.57 -0.13 -0.55 8.40 8.37 2og9A1 ALA 131 HA 0.06 0.05 0.42 -0.75 4.34 4.11 2og9A1 ALA 131 HB3 0.06 0.06 0.08 -0.04 1.41 1.56 2og9A1 LYS 132 H 0.04 0.58 -0.04 -0.55 8.42 8.45 2og9A1 LYS 132 HA 0.04 -0.04 0.41 -0.75 4.32 3.98 2og9A1 LYS 132 HB2 0.07 0.14 0.21 -0.04 1.87 2.25 2og9A1 LYS 132 HB3 0.08 -0.04 0.04 -0.04 1.79 1.83 2og9A1 LYS 132 HG2 0.04 -0.05 -0.13 -0.04 1.46 1.28 2og9A1 LYS 132 HG3 0.04 0.03 0.01 -0.04 1.46 1.49 2og9A1 LYS 132 HD2 0.07 0.14 0.02 -0.04 1.69 1.87 2og9A1 LYS 132 HD3 0.06 -0.04 0.03 -0.04 1.68 1.70 2og9A1 LYS 132 HE2 0.04 0.04 -0.03 -0.04 2.99 2.99 2og9A1 LYS 132 HE3 0.04 -0.16 0.05 -0.04 2.99 2.87 2og9A1 ARG 133 H 0.00 0.44 -0.33 -0.55 8.46 8.03 2og9A1 ARG 133 HA 0.08 -0.02 0.41 -0.75 4.34 4.06 2og9A1 ARG 133 HB2 -0.24 0.00 0.13 -0.04 1.90 1.74 2og9A1 ARG 133 HB3 -0.10 0.23 0.16 -0.04 1.80 2.05 2og9A1 ARG 133 HG2 -0.08 0.03 -0.05 -0.04 1.67 1.52 2og9A1 ARG 133 HG3 -0.42 -0.06 0.05 -0.04 1.67 1.19 2og9A1 ARG 133 HD2 -0.13 0.05 -0.02 -0.04 3.22 3.08 2og9A1 ARG 133 HD3 -0.14 -0.03 -0.03 -0.04 3.22 2.98 2og9A1 ALA 134 H 0.01 0.40 -0.30 -0.55 8.40 7.96 2og9A1 ALA 134 HA 0.01 0.10 0.71 -0.75 4.34 4.41 2og9A1 ALA 134 HB3 0.01 -0.01 0.10 -0.04 1.41 1.48 2og9A1 GLY 135 H 0.03 0.38 -0.38 -0.55 8.43 7.92 2og9A1 GLY 135 HA2 0.03 -0.02 0.33 -0.51 4.01 3.85 2og9A1 GLY 135 HA3 0.03 0.01 0.44 -0.51 4.01 3.97 2og9A1 LEU 136 H 0.03 0.46 -0.10 -0.55 8.37 8.22 2og9A1 LEU 136 HA 0.03 0.22 0.93 -0.75 4.35 4.77 2og9A1 LEU 136 HB2 0.03 -0.04 -0.05 -0.04 1.64 1.54 2og9A1 LEU 136 HB3 0.03 -0.07 -0.07 -0.04 1.64 1.49 2og9A1 LEU 136 HG 0.02 0.19 -0.35 -0.04 1.64 1.47 2og9A1 LEU 136 HD13 0.03 -0.00 -0.17 -0.04 0.93 0.74 2og9A1 LEU 136 HD23 0.02 0.02 -0.09 -0.04 0.89 0.80 2og9A1 SER 137 H 0.03 0.16 0.05 -0.55 8.46 8.15 2og9A1 SER 137 HA -0.00 0.30 0.47 -0.75 4.49 4.50 2og9A1 SER 137 HB2 0.19 0.05 0.04 -0.04 3.95 4.19 2og9A1 SER 137 HB3 0.08 0.17 -0.12 -0.04 3.93 4.02 2og9A1 LEU 138 H -0.35 0.62 0.13 -0.55 8.37 8.22 2og9A1 LEU 138 HA -0.03 0.04 0.38 -0.75 4.35 3.99 2og9A1 LEU 138 HB2 -0.28 -0.07 -0.11 -0.04 1.64 1.13 2og9A1 LEU 138 HB3 -0.70 0.06 0.04 -0.04 1.64 0.99 2og9A1 LEU 138 HG -0.13 0.07 -0.29 -0.04 1.64 1.24 2og9A1 LEU 138 HD13 -0.01 -0.02 -0.04 -0.04 0.93 0.83 2og9A1 LEU 138 HD23 -0.19 -0.01 -0.04 -0.04 0.89 0.60 2og9A1 ALA 139 H 0.25 0.16 -0.18 -0.55 8.40 8.08 2og9A1 ALA 139 HA 0.08 0.18 0.25 -0.75 4.34 4.10 2og9A1 ALA 139 HB3 0.16 0.02 0.01 -0.04 1.41 1.55 2og9A1 LYS 140 H 0.06 0.08 -0.41 -0.55 8.42 7.60 2og9A1 LYS 140 HA 0.02 0.06 0.46 -0.75 4.32 4.11 2og9A1 LYS 140 HB2 0.03 -0.05 0.05 -0.04 1.87 1.87 2og9A1 LYS 140 HB3 0.02 0.04 0.00 -0.04 1.79 1.81 2og9A1 LYS 140 HG2 0.04 -0.02 -0.04 -0.04 1.46 1.40 2og9A1 LYS 140 HG3 0.03 0.03 0.03 -0.04 1.46 1.50 2og9A1 LYS 140 HD2 0.01 0.01 0.01 -0.04 1.69 1.67 2og9A1 LYS 140 HD3 0.01 -0.03 -0.04 -0.04 1.68 1.58 2og9A1 LYS 140 HE2 0.02 0.04 -0.08 -0.04 2.99 2.92 2og9A1 LYS 140 HE3 0.01 0.00 -0.03 -0.04 2.99 2.94 2og9A1 LEU 141 H 0.04 0.39 -0.31 -0.55 8.37 7.95 2og9A1 LEU 141 HA 0.06 0.04 0.39 -0.75 4.35 4.08 2og9A1 LEU 141 HB2 0.08 -0.02 0.04 -0.04 1.64 1.70 2og9A1 LEU 141 HB3 0.11 0.07 0.13 -0.04 1.64 1.91 2og9A1 LEU 141 HG 0.25 0.03 -0.28 -0.04 1.64 1.60 2og9A1 LEU 141 HD13 0.07 0.00 -0.02 -0.04 0.93 0.95 2og9A1 LEU 141 HD23 0.27 -0.05 -0.09 -0.04 0.89 0.99 2og9A1 LEU 142 H 0.04 0.45 -0.20 -0.55 8.37 8.11 2og9A1 LEU 142 HA 0.07 -0.05 0.43 -0.75 4.35 4.05 2og9A1 LEU 142 HB2 0.00 0.15 0.00 -0.04 1.64 1.76 2og9A1 LEU 142 HB3 -0.01 0.01 0.02 -0.04 1.64 1.62 2og9A1 LEU 142 HG -0.08 0.06 -0.01 -0.04 1.64 1.57 2og9A1 LEU 142 HD13 -0.18 -0.02 -0.13 -0.04 0.93 0.56 2og9A1 LEU 142 HD23 -0.35 -0.04 -0.05 -0.04 0.89 0.42 2og9A1 GLY 143 H 0.02 0.14 -0.50 -0.55 8.43 7.54 2og9A1 GLY 143 HA2 -0.03 -0.06 0.34 -0.51 4.01 3.75 2og9A1 GLY 143 HA3 -0.04 0.10 0.71 -0.51 4.01 4.27 2og9A1 SER 144 H -0.05 0.00 0.09 -0.55 8.46 7.95 2og9A1 SER 144 HA 0.04 0.34 0.88 -0.75 4.49 4.99 2og9A1 SER 144 HB2 0.04 0.07 0.05 -0.04 3.95 4.08 2og9A1 SER 144 HB3 0.03 -0.06 -0.23 -0.04 3.93 3.63 2og9A1 TYR 145 H 0.18 0.75 0.32 -0.55 8.29 9.00 2og9A1 TYR 145 HA 0.00 0.08 0.84 -0.75 4.56 4.72 2og9A1 TYR 145 HB2 0.01 0.28 0.01 -0.04 3.06 3.31 2og9A1 TYR 145 HB3 -0.00 -0.06 0.05 -0.04 2.98 2.93 2og9A1 TYR 145 HD2 -0.00 0.01 -0.24 -0.04 7.15 6.88 2og9A1 TYR 145 HE2 -0.03 0.00 -0.07 -0.04 6.85 6.72 2og9A1 ARG 146 H 0.09 0.22 0.19 -0.55 8.46 8.40 2og9A1 ARG 146 HA 0.04 0.07 0.65 -0.75 4.34 4.34 2og9A1 ARG 146 HB2 0.02 -0.06 0.16 -0.04 1.90 1.97 2og9A1 ARG 146 HB3 0.05 0.13 -0.12 -0.04 1.80 1.82 2og9A1 ARG 146 HG2 0.08 0.03 0.06 -0.04 1.67 1.80 2og9A1 ARG 146 HG3 0.03 -0.09 -0.21 -0.04 1.67 1.35 2og9A1 ARG 146 HD2 0.03 -0.00 -0.08 -0.04 3.22 3.13 2og9A1 ARG 146 HD3 -0.01 0.07 0.09 -0.04 3.22 3.33 2og9A1 ASP 147 H 0.01 0.16 0.15 -0.55 8.40 8.16 2og9A1 ASP 147 HA 0.00 0.20 0.83 -0.75 4.63 4.91 2og9A1 ASP 147 HB2 -0.00 0.00 0.06 -0.04 2.71 2.73 2og9A1 ASP 147 HB3 -0.00 0.01 0.14 -0.04 2.70 2.81 2og9A1 SER 148 H -0.01 0.26 -0.04 -0.55 8.46 8.12 2og9A1 SER 148 HA -0.03 0.05 0.58 -0.75 4.49 4.35 2og9A1 SER 148 HB2 -0.03 0.07 -0.04 -0.04 3.95 3.91 2og9A1 SER 148 HB3 -0.02 0.03 -0.21 -0.04 3.93 3.69 2og9A1 VAL 149 H -0.03 0.22 0.10 -0.55 8.24 7.98 2og9A1 VAL 149 HA -0.06 0.22 0.92 -0.75 4.13 4.46 2og9A1 VAL 149 HB -0.00 -0.07 -0.06 -0.04 2.12 1.94 2og9A1 VAL 149 HG13 0.02 0.09 -0.26 -0.04 0.97 0.78 2og9A1 VAL 149 HG23 0.00 -0.00 -0.32 -0.04 0.95 0.59 2og9A1 ARG 150 H -0.22 0.24 0.15 -0.55 8.46 8.08 2og9A1 ARG 150 HA -0.24 0.15 0.53 -0.75 4.34 4.02 2og9A1 ARG 150 HB2 -1.08 0.14 0.21 -0.04 1.90 1.13 2og9A1 ARG 150 HB3 -1.48 0.03 0.10 -0.04 1.80 0.41 2og9A1 ARG 150 HG2 -0.40 -0.04 0.07 -0.04 1.67 1.26 2og9A1 ARG 150 HG3 -0.46 0.03 0.12 -0.04 1.67 1.33 2og9A1 ARG 150 HD2 -0.41 -0.05 0.02 -0.04 3.22 2.73 2og9A1 ARG 150 HD3 -1.32 0.05 -0.02 -0.04 3.22 1.89 2og9A1 CYS 151 H 0.04 0.52 0.42 -0.55 8.50 8.92 2og9A1 CYS 151 HA 0.31 0.34 1.05 -0.75 4.58 5.53 2og9A1 CYS 151 HB2 0.09 -0.08 0.09 -0.04 2.97 3.03 2og9A1 CYS 151 HB3 0.07 0.09 -0.10 -0.04 2.97 2.99 2og9A1 TYR 152 H -0.05 0.39 0.34 -0.55 8.29 8.42 2og9A1 TYR 152 HA 0.09 0.10 0.74 -0.75 4.56 4.73 2og9A1 TYR 152 HB2 -0.16 -0.01 -0.37 -0.04 3.06 2.48 2og9A1 TYR 152 HB3 -0.01 0.14 -0.40 -0.04 2.98 2.67 2og9A1 TYR 152 HD2 0.17 0.01 -0.41 -0.04 7.15 6.88 2og9A1 TYR 152 HE2 0.24 0.01 -0.41 -0.04 6.85 6.65 2og9A1 ASN 153 H 0.10 0.73 0.36 -0.55 8.53 9.18 2og9A1 ASN 153 HA -0.06 0.09 0.66 -0.75 4.76 4.68 2og9A1 ASN 153 HB2 0.06 -0.03 0.29 -0.04 2.88 3.16 2og9A1 ASN 153 HB3 0.03 0.10 -0.11 -0.04 2.79 2.77 2og9A1 ASN 153 HD21 0.01 0.07 0.03 -0.04 7.03 7.10 2og9A1 ASN 153 HD22 0.05 0.05 0.07 -0.04 7.74 7.86 2og9A1 THR 154 H -0.00 0.10 0.24 -0.55 8.28 8.06 2og9A1 THR 154 HA -0.04 0.39 0.89 -0.75 4.39 4.88 2og9A1 THR 154 HB -0.14 0.18 0.23 -0.04 4.32 4.55 2og9A1 THR 154 HG23 -0.03 0.02 -0.01 -0.04 1.22 1.16 2og9A1 SER 155 H 0.01 0.02 0.02 -0.55 8.46 7.96 2og9A1 SER 155 HA 0.02 0.05 0.27 -0.75 4.49 4.06 2og9A1 SER 155 HB2 -0.02 0.24 -0.14 -0.04 3.95 3.98 2og9A1 SER 155 HB3 0.00 -0.03 -0.15 -0.04 3.93 3.71 2og9A1 GLY 156 H -0.02 -0.06 -0.16 -0.55 8.43 7.64 2og9A1 GLY 156 HA2 -0.07 -0.04 0.21 -0.51 4.01 3.60 2og9A1 GLY 156 HA3 0.01 0.07 0.32 -0.51 4.01 3.91 2og9A1 GLY 157 H -0.25 0.18 -0.44 -0.55 8.43 7.38 2og9A1 GLY 157 HA2 -0.19 0.09 0.80 -0.51 4.01 4.21 2og9A1 GLY 157 HA3 -0.17 0.13 0.28 -0.51 4.01 3.75 2og9A1 PHE 158 H -0.13 0.18 0.22 -0.55 8.34 8.06 2og9A1 PHE 158 HA -0.10 0.21 0.80 -0.75 4.62 4.78 2og9A1 PHE 158 HB2 -0.92 -0.04 0.02 -0.04 3.15 2.16 2og9A1 PHE 158 HB3 -0.34 -0.09 0.14 -0.04 3.06 2.73 2og9A1 PHE 158 HD2 0.03 0.00 -0.05 -0.04 7.28 7.22 2og9A1 PHE 158 HE2 0.20 0.01 -0.10 -0.04 7.38 7.45 2og9A1 PHE 158 HZ 0.37 -0.02 -0.12 -0.04 7.32 7.50 2og9A1 LEU 159 H 0.04 0.17 0.11 -0.55 8.37 8.14 2og9A1 LEU 159 HA 0.01 0.19 0.37 -0.75 4.35 4.15 2og9A1 LEU 159 HB2 0.04 -0.04 0.06 -0.04 1.64 1.66 2og9A1 LEU 159 HB3 0.04 -0.01 -0.05 -0.04 1.64 1.58 2og9A1 LEU 159 HG 0.02 -0.01 -0.12 -0.04 1.64 1.49 2og9A1 LEU 159 HD13 0.02 0.03 -0.18 -0.04 0.93 0.76 2og9A1 LEU 159 HD23 0.02 -0.01 -0.20 -0.04 0.89 0.67 2og9A1 HIS 160 H -0.32 0.00 -0.27 -0.55 8.41 7.28 2og9A1 HIS 160 HA 0.05 0.14 0.53 -0.75 4.63 4.60 2og9A1 HIS 160 HB2 0.04 0.02 0.07 -0.04 3.26 3.36 2og9A1 HIS 160 HB3 0.04 -0.03 0.02 -0.04 3.20 3.19 2og9A1 HIS 160 HD2 -0.02 -0.02 -0.01 -0.04 6.97 6.88 2og9A1 HIS 160 HE1 0.20 0.08 -0.07 -0.04 7.75 7.91 2og9A1 THR 161 H -0.08 0.27 -0.40 -0.55 8.28 7.52 2og9A1 THR 161 HA 0.16 0.10 0.50 -0.75 4.39 4.39 2og9A1 THR 161 HB -0.02 0.12 0.19 -0.04 4.32 4.57 2og9A1 THR 161 HG23 0.03 0.04 -0.13 -0.04 1.22 1.12 2og9A1 PRO 162 HA 0.04 0.03 0.45 -0.51 4.44 4.44 2og9A1 PRO 162 HB2 0.03 -0.09 0.12 -0.04 2.28 2.30 2og9A1 PRO 162 HB3 0.03 0.01 0.11 -0.04 2.02 2.12 2og9A1 PRO 162 HG2 0.04 0.02 0.12 -0.04 2.03 2.17 2og9A1 PRO 162 HG3 0.05 0.08 0.13 -0.04 2.03 2.25 2og9A1 PRO 162 HD2 0.07 0.05 0.23 -0.04 3.68 3.99 2og9A1 PRO 162 HD3 0.12 0.32 0.37 -0.04 3.65 4.41 2og9A1 ILE 163 H 0.02 0.13 0.20 -0.55 8.25 8.05 2og9A1 ILE 163 HA -0.00 0.13 0.36 -0.75 4.18 3.91 2og9A1 ILE 163 HB -0.00 -0.10 0.13 -0.04 1.89 1.88 2og9A1 ILE 163 HG12 0.01 0.06 0.12 -0.04 1.49 1.64 2og9A1 ILE 163 HG13 0.02 -0.05 0.18 -0.04 1.21 1.32 2og9A1 ILE 163 HG23 -0.01 0.04 -0.09 -0.04 0.93 0.83 2og9A1 ILE 163 HD13 0.02 0.00 0.01 -0.04 0.88 0.87 2og9A1 ASP 164 H -0.01 0.02 -0.14 -0.55 8.40 7.72 2og9A1 ASP 164 HA -0.09 0.12 0.35 -0.75 4.63 4.26 2og9A1 ASP 164 HB2 -0.02 -0.07 0.04 -0.04 2.71 2.61 2og9A1 ASP 164 HB3 -0.04 0.06 -0.00 -0.04 2.70 2.67 2og9A1 GLN 165 H -0.00 0.18 -0.32 -0.55 8.47 7.79 2og9A1 GLN 165 HA -0.00 0.05 0.52 -0.75 4.36 4.18 2og9A1 GLN 165 HB2 0.02 0.14 0.12 -0.04 2.15 2.39 2og9A1 GLN 165 HB3 0.02 -0.01 -0.03 -0.04 2.02 1.97 2og9A1 GLN 165 HG2 0.02 0.01 0.02 -0.04 2.40 2.40 2og9A1 GLN 165 HG3 0.02 -0.09 0.02 -0.04 2.39 2.29 2og9A1 GLN 165 HE21 0.04 -0.00 0.04 -0.04 6.97 7.01 2og9A1 GLN 165 HE22 0.03 -0.05 0.04 -0.04 7.69 7.67 2og9A1 LEU 166 H -0.00 0.44 -0.13 -0.55 8.37 8.13 2og9A1 LEU 166 HA -0.01 0.05 0.26 -0.75 4.35 3.89 2og9A1 LEU 166 HB2 -0.02 -0.03 -0.03 -0.04 1.64 1.52 2og9A1 LEU 166 HB3 -0.02 0.14 0.09 -0.04 1.64 1.82 2og9A1 LEU 166 HG -0.05 0.03 0.05 -0.04 1.64 1.64 2og9A1 LEU 166 HD13 -0.05 -0.03 -0.00 -0.04 0.93 0.81 2og9A1 LEU 166 HD23 -0.02 -0.01 0.04 -0.04 0.89 0.85 2og9A1 VAL 168 HA 0.13 -0.08 0.31 -0.75 4.13 3.73 2og9A1 VAL 168 HB 0.04 -0.08 0.04 -0.04 2.12 2.08 2og9A1 VAL 168 HG13 -0.00 0.03 0.11 -0.04 0.97 1.07 2og9A1 VAL 168 HG23 0.01 0.02 0.10 -0.04 0.95 1.04 2og9A1 ASN 169 H 0.02 0.65 -0.86 -0.55 8.53 7.79 2og9A1 ASN 169 HA 0.03 -0.02 0.46 -0.75 4.76 4.48 2og9A1 ASN 169 HB2 0.01 0.06 0.14 -0.04 2.88 3.05 2og9A1 ASN 169 HB3 0.01 0.03 0.05 -0.04 2.79 2.85 2og9A1 ASN 169 HD21 0.03 -0.11 -0.05 -0.04 7.03 6.86 2og9A1 ASN 169 HD22 0.02 0.24 -0.00 -0.04 7.74 7.96 2og9A1 ALA 170 H 0.03 0.70 0.32 -0.55 8.40 8.91 2og9A1 ALA 170 HA 0.01 -0.03 0.41 -0.75 4.34 3.98 2og9A1 ALA 170 HB3 0.03 0.03 0.05 -0.04 1.41 1.48 2og9A1 SER 171 H 0.10 0.20 -0.16 -0.55 8.46 8.05 2og9A1 SER 171 HA -0.00 0.08 0.33 -0.75 4.49 4.14 2og9A1 SER 171 HB2 0.00 -0.01 0.01 -0.04 3.95 3.92 2og9A1 SER 171 HB3 0.02 0.04 0.03 -0.04 3.93 3.99 2og9A1 ALA 172 H 0.03 0.33 -0.62 -0.55 8.40 7.60 2og9A1 ALA 172 HA 0.01 0.01 0.46 -0.75 4.34 4.06 2og9A1 ALA 172 HB3 0.02 0.06 0.13 -0.04 1.41 1.58 2og9A1 SER 173 H 0.01 0.55 -0.01 -0.55 8.46 8.46 2og9A1 SER 173 HA -0.02 -0.02 0.42 -0.75 4.49 4.11 2og9A1 SER 173 HB2 -0.00 0.20 0.15 -0.04 3.95 4.26 2og9A1 SER 173 HB3 -0.02 -0.10 0.03 -0.04 3.93 3.80 2og9A1 ILE 174 H -0.00 0.49 -0.32 -0.55 8.25 7.88 2og9A1 ILE 174 HA -0.00 0.16 0.43 -0.75 4.18 4.01 2og9A1 ILE 174 HB -0.01 0.11 0.10 -0.04 1.89 2.05 2og9A1 ILE 174 HG12 -0.00 0.19 -0.07 -0.04 1.49 1.57 2og9A1 ILE 174 HG13 -0.01 -0.02 -0.10 -0.04 1.21 1.04 2og9A1 ILE 174 HG23 -0.01 0.01 -0.10 -0.04 0.93 0.79 2og9A1 ILE 174 HD13 0.01 -0.01 -0.19 -0.04 0.88 0.64 2og9A1 GLU 175 H -0.01 0.42 -0.16 -0.55 8.60 8.30 2og9A1 GLU 175 HA -0.01 0.05 0.45 -0.75 4.29 4.02 2og9A1 GLU 175 HB2 -0.00 -0.09 0.12 -0.04 2.09 2.08 2og9A1 GLU 175 HB3 -0.00 0.05 0.15 -0.04 1.99 2.14 2og9A1 GLU 175 HG2 0.00 0.39 0.29 -0.04 2.34 2.98 2og9A1 GLU 175 HG3 -0.00 -0.06 -0.15 -0.04 2.34 2.09 2og9A1 ARG 176 H -0.02 0.30 -0.46 -0.55 8.46 7.73 2og9A1 ARG 176 HA -0.02 0.09 0.66 -0.75 4.34 4.31 2og9A1 ARG 176 HB2 -0.03 -0.06 0.13 -0.04 1.90 1.89 2og9A1 ARG 176 HB3 -0.02 -0.01 0.06 -0.04 1.80 1.79 2og9A1 ARG 176 HG2 -0.04 0.17 0.22 -0.04 1.67 1.99 2og9A1 ARG 176 HG3 -0.08 -0.06 -0.17 -0.04 1.67 1.32 2og9A1 ARG 176 HD2 -0.02 -0.00 -0.06 -0.04 3.22 3.09 2og9A1 ARG 176 HD3 -0.06 -0.10 0.02 -0.04 3.22 3.05 2og9A1 GLY 177 H -0.02 0.41 -0.45 -0.55 8.43 7.82 2og9A1 GLY 177 HA2 -0.02 -0.04 0.25 -0.51 4.01 3.69 2og9A1 GLY 177 HA3 -0.03 0.16 0.77 -0.51 4.01 4.40 2og9A1 ILE 178 H -0.04 0.50 0.07 -0.55 8.25 8.23 2og9A1 ILE 178 HA -0.03 -0.01 0.30 -0.75 4.18 3.69 2og9A1 ILE 178 HB -0.01 0.02 -0.25 -0.04 1.89 1.61 2og9A1 ILE 178 HG12 -0.11 0.11 -0.00 -0.04 1.49 1.44 2og9A1 ILE 178 HG13 -0.07 -0.13 -0.02 -0.04 1.21 0.95 2og9A1 ILE 178 HG23 0.04 -0.12 -0.08 -0.04 0.93 0.73 2og9A1 ILE 178 HD13 -0.26 -0.01 -0.14 -0.04 0.88 0.42 2og9A1 GLY 179 H 0.11 0.20 0.12 -0.55 8.43 8.31 2og9A1 GLY 179 HA2 0.08 0.09 0.76 -0.51 4.01 4.44 2og9A1 GLY 179 HA3 0.14 0.20 0.59 -0.51 4.01 4.43 2og9A1 GLY 180 H 0.14 0.03 0.05 -0.55 8.43 8.10 2og9A1 GLY 180 HA2 0.01 0.24 0.46 -0.51 4.01 4.22 2og9A1 GLY 180 HA3 -0.00 0.04 0.31 -0.51 4.01 3.84 2og9A1 ILE 181 H -0.16 0.66 0.22 -0.55 8.25 8.43 2og9A1 ILE 181 HA -0.01 0.28 1.12 -0.75 4.18 4.81 2og9A1 ILE 181 HB -0.08 0.05 0.08 -0.04 1.89 1.90 2og9A1 ILE 181 HG12 -0.02 0.01 -0.35 -0.04 1.49 1.08 2og9A1 ILE 181 HG13 -0.02 -0.02 -0.14 -0.04 1.21 0.99 2og9A1 ILE 181 HG23 -0.05 -0.03 -0.22 -0.04 0.93 0.58 2og9A1 ILE 181 HD13 -0.00 0.03 -0.11 -0.04 0.88 0.75 2og9A1 LYS 182 H -0.00 0.51 0.13 -0.55 8.42 8.50 2og9A1 LYS 182 HA -0.27 0.22 0.91 -0.75 4.32 4.43 2og9A1 LYS 182 HB2 -0.07 0.03 -0.18 -0.04 1.87 1.61 2og9A1 LYS 182 HB3 0.08 -0.13 -0.10 -0.04 1.79 1.60 2og9A1 LYS 182 HG2 -0.02 -0.09 -0.38 -0.04 1.46 0.93 2og9A1 LYS 182 HG3 -0.13 0.14 -0.16 -0.04 1.46 1.26 2og9A1 LYS 182 HD2 0.16 -0.00 -0.25 -0.04 1.69 1.56 2og9A1 LYS 182 HD3 0.12 0.08 -0.22 -0.04 1.68 1.61 2og9A1 LYS 182 HE2 0.39 0.02 -0.17 -0.04 2.99 3.19 2og9A1 LYS 182 HE3 0.26 -0.06 -0.18 -0.04 2.99 2.97 2og9A1 LEU 183 H -0.19 0.28 0.17 -0.55 8.37 8.08 2og9A1 LEU 183 HA -0.09 0.17 0.88 -0.75 4.35 4.55 2og9A1 LEU 183 HB2 -0.15 -0.01 0.05 -0.04 1.64 1.49 2og9A1 LEU 183 HB3 -0.08 0.03 -0.07 -0.04 1.64 1.48 2og9A1 LEU 183 HG -0.12 0.05 -0.17 -0.04 1.64 1.36 2og9A1 LEU 183 HD13 -0.08 0.00 -0.06 -0.04 0.93 0.75 2og9A1 LEU 183 HD23 -0.06 0.02 -0.12 -0.04 0.89 0.70 2og9A1 LYS 184 H -0.07 0.17 0.07 -0.55 8.42 8.04 2og9A1 LYS 184 HA -0.06 0.15 0.67 -0.75 4.32 4.32 2og9A1 LYS 184 HB2 -0.01 -0.10 0.01 -0.04 1.87 1.74 2og9A1 LYS 184 HB3 0.01 0.03 0.03 -0.04 1.79 1.82 2og9A1 LYS 184 HG2 -0.04 0.08 0.03 -0.04 1.46 1.49 2og9A1 LYS 184 HG3 0.11 -0.06 0.11 -0.04 1.46 1.58 2og9A1 LYS 184 HD2 0.04 0.01 0.01 -0.04 1.69 1.71 2og9A1 LYS 184 HD3 -0.01 0.04 -0.04 -0.04 1.68 1.63 2og9A1 LYS 184 HE2 0.07 -0.03 -0.05 -0.04 2.99 2.94 2og9A1 LYS 184 HE3 0.04 0.02 -0.06 -0.04 2.99 2.95 2og9A1 VAL 185 H -0.11 0.80 0.33 -0.55 8.24 8.70 2og9A1 VAL 185 HA 0.02 0.09 0.71 -0.75 4.13 4.20 2og9A1 VAL 185 HB 0.22 -0.20 0.12 -0.04 2.12 2.22 2og9A1 VAL 185 HG13 0.02 0.03 -0.31 -0.04 0.97 0.67 2og9A1 VAL 185 HG23 -0.16 0.02 -0.33 -0.04 0.95 0.44 2og9A1 GLY 186 H 0.17 0.05 0.13 -0.55 8.43 8.23 2og9A1 GLY 186 HA2 -0.16 0.01 0.26 -0.51 4.01 3.61 2og9A1 GLY 186 HA3 -0.35 0.34 0.85 -0.51 4.01 4.35 2og9A1 GLN 187 H 0.13 -0.03 0.03 -0.55 8.47 8.05 2og9A1 GLN 187 HA 0.06 0.28 0.76 -0.75 4.36 4.70 2og9A1 GLN 187 HB2 0.06 -0.01 0.03 -0.04 2.15 2.19 2og9A1 GLN 187 HB3 0.05 0.07 -0.04 -0.04 2.02 2.06 2og9A1 GLN 187 HG2 0.10 -0.08 0.04 -0.04 2.40 2.41 2og9A1 GLN 187 HG3 0.09 -0.08 -0.16 -0.04 2.39 2.19 2og9A1 GLN 187 HE21 0.05 0.11 -0.03 -0.04 6.97 7.06 2og9A1 GLN 187 HE22 0.05 -0.01 -0.04 -0.04 7.69 7.66 2og9A1 PRO 188 HA 0.09 0.09 0.36 -0.51 4.44 4.47 2og9A1 PRO 188 HB2 0.04 -0.02 0.05 -0.04 2.28 2.32 2og9A1 PRO 188 HB3 0.04 0.03 0.10 -0.04 2.02 2.16 2og9A1 PRO 188 HG2 0.04 0.04 0.09 -0.04 2.03 2.16 2og9A1 PRO 188 HG3 0.05 0.09 0.11 -0.04 2.03 2.25 2og9A1 PRO 188 HD2 0.05 0.07 0.18 -0.04 3.68 3.94 2og9A1 PRO 188 HD3 0.05 0.25 0.25 -0.04 3.65 4.16 2og9A1 ASP 189 H 0.06 0.08 -0.51 -0.55 8.40 7.49 2og9A1 ASP 189 HA 0.03 0.19 0.86 -0.75 4.63 4.96 2og9A1 ASP 189 HB2 0.03 0.06 0.04 -0.04 2.71 2.80 2og9A1 ASP 189 HB3 0.04 -0.01 0.19 -0.04 2.70 2.88 2og9A1 GLY 190 H 0.03 0.38 0.04 -0.55 8.43 8.33 2og9A1 GLY 190 HA2 0.09 0.03 0.34 -0.51 4.01 3.97 2og9A1 GLY 190 HA3 -0.02 0.13 0.31 -0.51 4.01 3.93 2og9A1 ALA 191 H -0.00 0.09 -0.32 -0.55 8.40 7.62 2og9A1 ALA 191 HA -0.02 0.10 0.38 -0.75 4.34 4.04 2og9A1 ALA 191 HB3 -0.00 0.02 0.03 -0.04 1.41 1.42 2og9A1 LEU 192 H 0.03 0.44 -0.20 -0.55 8.37 8.10 2og9A1 LEU 192 HA 0.03 0.05 0.45 -0.75 4.35 4.13 2og9A1 LEU 192 HB2 0.05 0.27 0.22 -0.04 1.64 2.13 2og9A1 LEU 192 HB3 0.05 0.03 -0.02 -0.04 1.64 1.65 2og9A1 LEU 192 HG 0.04 -0.00 0.04 -0.04 1.64 1.67 2og9A1 LEU 192 HD13 0.03 0.01 0.04 -0.04 0.93 0.97 2og9A1 LEU 192 HD23 0.02 -0.02 -0.00 -0.04 0.89 0.85 2og9A1 ASP 193 H 0.07 0.22 -0.07 -0.55 8.40 8.08 2og9A1 ASP 193 HA 0.08 0.08 0.42 -0.75 4.63 4.45 2og9A1 ASP 193 HB2 0.17 0.13 0.17 -0.04 2.71 3.14 2og9A1 ASP 193 HB3 0.26 0.06 0.02 -0.04 2.70 3.00 2og9A1 ILE 194 H 0.01 0.52 -0.10 -0.55 8.25 8.13 2og9A1 ILE 194 HA -0.02 0.05 0.31 -0.75 4.18 3.76 2og9A1 ILE 194 HB -0.02 0.07 0.08 -0.04 1.89 1.98 2og9A1 ILE 194 HG12 -0.48 0.00 -0.03 -0.04 1.49 0.94 2og9A1 ILE 194 HG13 -0.15 0.21 0.07 -0.04 1.21 1.29 2og9A1 ILE 194 HG23 0.06 0.00 -0.08 -0.04 0.93 0.87 2og9A1 ILE 194 HD13 -0.18 -0.02 -0.08 -0.04 0.88 0.56 2og9A1 ALA 195 H 0.04 0.38 -0.39 -0.55 8.40 7.89 2og9A1 ALA 195 HA 0.07 0.03 0.48 -0.75 4.34 4.16 2og9A1 ALA 195 HB3 0.04 0.02 0.15 -0.04 1.41 1.57 2og9A1 ARG 196 H 0.05 0.72 0.11 -0.55 8.46 8.78 2og9A1 ARG 196 HA 0.03 -0.04 0.45 -0.75 4.34 4.03 2og9A1 ARG 196 HB2 0.04 0.08 0.21 -0.04 1.90 2.18 2og9A1 ARG 196 HB3 0.02 -0.00 0.04 -0.04 1.80 1.81 2og9A1 ARG 196 HG2 0.02 -0.09 0.08 -0.04 1.67 1.65 2og9A1 ARG 196 HG3 0.03 0.06 0.11 -0.04 1.67 1.84 2og9A1 ARG 196 HD2 0.03 -0.06 -0.02 -0.04 3.22 3.13 2og9A1 ARG 196 HD3 0.04 -0.08 -0.13 -0.04 3.22 3.01 2og9A1 VAL 197 H 0.04 0.76 -0.07 -0.55 8.24 8.42 2og9A1 VAL 197 HA -0.02 0.03 0.42 -0.75 4.13 3.80 2og9A1 VAL 197 HB -0.09 0.06 0.04 -0.04 2.12 2.08 2og9A1 VAL 197 HG13 -0.36 0.01 -0.12 -0.04 0.97 0.46 2og9A1 VAL 197 HG23 -0.06 0.02 -0.05 -0.04 0.95 0.83 2og9A1 THR 198 H 0.15 0.47 -0.24 -0.55 8.28 8.11 2og9A1 THR 198 HA 0.43 0.04 0.41 -0.75 4.39 4.52 2og9A1 THR 198 HB 0.14 0.08 0.21 -0.04 4.32 4.70 2og9A1 THR 198 HG23 0.09 -0.03 -0.06 -0.04 1.22 1.18 2og9A1 ALA 199 H 0.08 0.59 -0.17 -0.55 8.40 8.36 2og9A1 ALA 199 HA 0.06 -0.01 0.38 -0.75 4.34 4.02 2og9A1 ALA 199 HB3 0.03 0.02 0.08 -0.04 1.41 1.50 2og9A1 VAL 200 H 0.06 0.52 -0.14 -0.55 8.24 8.13 2og9A1 VAL 200 HA 0.08 0.01 0.42 -0.75 4.13 3.89 2og9A1 VAL 200 HB 0.02 0.09 0.14 -0.04 2.12 2.33 2og9A1 VAL 200 HG13 0.01 -0.01 -0.13 -0.04 0.97 0.81 2og9A1 VAL 200 HG23 0.00 0.07 0.03 -0.04 0.95 1.02 2og9A1 ARG 201 H 0.11 0.64 -0.11 -0.55 8.46 8.55 2og9A1 ARG 201 HA 0.06 0.09 0.34 -0.75 4.34 4.08 2og9A1 ARG 201 HB2 0.20 0.02 0.08 -0.04 1.90 2.15 2og9A1 ARG 201 HB3 0.21 0.06 0.16 -0.04 1.80 2.19 2og9A1 ARG 201 HG2 0.10 -0.00 -0.06 -0.04 1.67 1.67 2og9A1 ARG 201 HG3 0.06 -0.06 -0.34 -0.04 1.67 1.29 2og9A1 ARG 201 HD2 0.03 -0.10 -0.18 -0.04 3.22 2.93 2og9A1 ARG 201 HD3 0.04 -0.05 -0.13 -0.04 3.22 3.04 2og9A1 LYS 202 H 0.09 0.52 -0.21 -0.55 8.42 8.27 2og9A1 LYS 202 HA 0.04 -0.00 0.39 -0.75 4.32 4.00 2og9A1 LYS 202 HB2 0.05 0.01 0.09 -0.04 1.87 1.98 2og9A1 LYS 202 HB3 0.07 0.06 0.07 -0.04 1.79 1.96 2og9A1 LYS 202 HG2 0.05 0.02 -0.13 -0.04 1.46 1.36 2og9A1 LYS 202 HG3 0.03 -0.04 0.05 -0.04 1.46 1.46 2og9A1 LYS 202 HD2 0.03 -0.02 -0.02 -0.04 1.69 1.64 2og9A1 LYS 202 HD3 0.04 -0.01 -0.04 -0.04 1.68 1.63 2og9A1 LYS 202 HE2 0.03 0.01 -0.03 -0.04 2.99 2.96 2og9A1 LYS 202 HE3 0.02 -0.01 -0.01 -0.04 2.99 2.95 2og9A1 HIS 203 H 0.15 0.36 -0.33 -0.55 8.41 8.05 2og9A1 HIS 203 HA 0.01 -0.01 0.47 -0.75 4.63 4.35 2og9A1 HIS 203 HB2 0.01 0.02 0.10 -0.04 3.26 3.36 2og9A1 HIS 203 HB3 0.01 0.07 0.16 -0.04 3.20 3.40 2og9A1 HIS 203 HD2 0.00 -0.04 -0.14 -0.04 6.97 6.75 2og9A1 HIS 203 HE1 0.01 -0.06 0.01 -0.04 7.75 7.66 2og9A1 LEU 204 H 0.06 0.60 0.04 -0.55 8.37 8.53 2og9A1 LEU 204 HA -0.16 0.01 0.51 -0.75 4.35 3.95 2og9A1 LEU 204 HB2 0.00 0.14 0.05 -0.04 1.64 1.79 2og9A1 LEU 204 HB3 -0.03 -0.04 -0.01 -0.04 1.64 1.52 2og9A1 LEU 204 HG 0.07 0.05 0.01 -0.04 1.64 1.74 2og9A1 LEU 204 HD13 0.01 -0.01 -0.13 -0.04 0.93 0.75 2og9A1 LEU 204 HD23 -0.03 -0.04 -0.16 -0.04 0.89 0.62 2og9A1 GLY 205 H 0.01 0.48 -0.16 -0.55 8.43 8.21 2og9A1 GLY 205 HA2 -0.00 0.02 0.31 -0.51 4.01 3.83 2og9A1 GLY 205 HA3 -0.02 0.10 0.80 -0.51 4.01 4.38 2og9A1 ASP 206 H -0.00 0.09 0.14 -0.55 8.40 8.08 2og9A1 ASP 206 HA 0.01 0.20 0.44 -0.75 4.63 4.52 2og9A1 ASP 206 HB2 -0.00 -0.06 0.07 -0.04 2.71 2.67 2og9A1 ASP 206 HB3 0.00 0.06 0.10 -0.04 2.70 2.82 2og9A1 ALA 207 H -0.00 0.01 -0.41 -0.55 8.40 7.45 2og9A1 ALA 207 HA 0.01 0.16 0.59 -0.75 4.34 4.35 2og9A1 ALA 207 HB3 0.00 -0.01 0.03 -0.04 1.41 1.39 2og9A1 VAL 208 H -0.00 0.31 -0.40 -0.55 8.24 7.59 2og9A1 VAL 208 HA 0.01 0.20 0.76 -0.75 4.13 4.35 2og9A1 VAL 208 HB -0.01 0.03 -0.03 -0.04 2.12 2.06 2og9A1 VAL 208 HG13 -0.01 0.02 -0.19 -0.04 0.97 0.74 2og9A1 VAL 208 HG23 -0.01 -0.03 -0.15 -0.04 0.95 0.72 2og9A1 PRO 209 HA -0.08 0.08 0.44 -0.51 4.44 4.36 2og9A1 PRO 209 HB2 -0.08 -0.07 0.20 -0.04 2.28 2.29 2og9A1 PRO 209 HB3 -0.09 0.00 0.11 -0.04 2.02 2.00 2og9A1 PRO 209 HG2 0.30 0.12 0.20 -0.04 2.03 2.61 2og9A1 PRO 209 HG3 0.11 0.02 0.09 -0.04 2.03 2.21 2og9A1 PRO 209 HD2 0.07 0.16 0.24 -0.04 3.68 4.10 2og9A1 PRO 209 HD3 0.05 0.33 0.34 -0.04 3.65 4.32 2og9A1 LEU 210 H -0.21 0.26 0.19 -0.55 8.37 8.07 2og9A1 LEU 210 HA -0.28 0.30 0.92 -0.75 4.35 4.53 2og9A1 LEU 210 HB2 -0.13 0.04 0.10 -0.04 1.64 1.61 2og9A1 LEU 210 HB3 -0.18 -0.06 0.10 -0.04 1.64 1.46 2og9A1 LEU 210 HG -0.06 0.34 -0.18 -0.04 1.64 1.70 2og9A1 LEU 210 HD13 0.01 -0.03 -0.06 -0.04 0.93 0.80 2og9A1 LEU 210 HD23 -0.08 0.00 -0.10 -0.04 0.89 0.68 2og9A1 VAL 212 HA -0.22 0.01 0.38 -0.75 4.13 3.55 2og9A1 VAL 212 HB -0.26 -0.07 -0.05 -0.04 2.12 1.71 2og9A1 VAL 212 HG13 -0.53 -0.01 -0.06 -0.04 0.97 0.33 2og9A1 VAL 212 HG23 -0.40 0.00 -0.01 -0.04 0.95 0.50 2og9A1 ASP 213 H -0.13 0.54 0.23 -0.55 8.40 8.49 2og9A1 ASP 213 HA -0.09 0.15 0.92 -0.75 4.63 4.86 2og9A1 ASP 213 HB2 -0.01 0.06 -0.17 -0.04 2.71 2.55 2og9A1 ASP 213 HB3 -0.06 -0.05 0.07 -0.04 2.70 2.63 2og9A1 ALA 214 H -0.29 0.74 0.13 -0.55 8.40 8.43 2og9A1 ALA 214 HA -0.51 0.17 0.44 -0.75 4.34 3.68 2og9A1 ALA 214 HB3 -1.36 0.01 -0.05 -0.04 1.41 -0.03 2og9A1 ASN 215 H -0.20 0.07 -0.14 -0.55 8.53 7.71 2og9A1 ASN 215 HA -0.13 -0.04 0.29 -0.75 4.76 4.14 2og9A1 ASN 215 HB2 -0.11 0.16 -0.07 -0.04 2.88 2.81 2og9A1 ASN 215 HB3 -0.07 -0.04 0.12 -0.04 2.79 2.77 2og9A1 ASN 215 HD21 -0.00 -0.01 -0.05 -0.04 7.03 6.93 2og9A1 ASN 215 HD22 -0.02 -0.02 -0.02 -0.04 7.74 7.64 2og9A1 GLN 216 H -0.14 0.60 -0.01 -0.55 8.47 8.36 2og9A1 GLN 216 HA -0.05 0.09 -0.15 -0.75 4.36 3.50 2og9A1 GLN 216 HB2 -0.04 0.17 -0.05 -0.04 2.15 2.19 2og9A1 GLN 216 HB3 -0.01 -0.17 0.01 -0.04 2.02 1.80 2og9A1 GLN 216 HG2 -0.02 0.22 0.04 -0.04 2.40 2.59 2og9A1 GLN 216 HG3 -0.06 -0.06 -0.25 -0.04 2.39 1.98 2og9A1 GLN 216 HE21 -0.01 -0.00 -0.02 -0.04 6.97 6.90 2og9A1 GLN 216 HE22 -0.05 0.05 -0.08 -0.04 7.69 7.58 2og9A1 GLN 217 H -0.30 0.34 -0.44 -0.55 8.47 7.52 2og9A1 GLN 217 HA -0.04 0.09 0.67 -0.75 4.36 4.33 2og9A1 GLN 217 HB2 -0.40 -0.01 0.19 -0.04 2.15 1.89 2og9A1 GLN 217 HB3 -0.06 -0.06 0.15 -0.04 2.02 2.00 2og9A1 GLN 217 HG2 -0.15 0.24 0.09 -0.04 2.40 2.53 2og9A1 GLN 217 HG3 -0.09 0.00 0.11 -0.04 2.39 2.37 2og9A1 GLN 217 HE21 -0.01 -0.10 0.04 -0.04 6.97 6.86 2og9A1 GLN 217 HE22 -0.01 0.02 0.07 -0.04 7.69 7.73 2og9A1 TRP 218 H -0.01 0.27 -0.09 -0.55 7.97 7.58 2og9A1 TRP 218 HA 0.00 0.11 0.89 -0.75 4.62 4.86 2og9A1 TRP 218 HB2 0.01 0.36 0.12 -0.04 3.23 3.67 2og9A1 TRP 218 HB3 0.00 -0.12 -0.02 -0.04 3.23 3.06 2og9A1 TRP 218 HD1 0.01 0.06 -0.25 -0.04 7.22 6.99 2og9A1 TRP 218 HE1 0.03 -0.10 -0.10 -0.04 10.20 9.99 2og9A1 TRP 218 HE3 0.03 -0.00 0.03 -0.04 7.59 7.60 2og9A1 TRP 218 HZ2 0.15 -0.13 -0.05 -0.04 7.44 7.37 2og9A1 TRP 218 HZ3 0.05 0.06 -0.04 -0.04 7.13 7.17 2og9A1 TRP 218 HH2 0.28 0.03 -0.09 -0.04 7.19 7.38 2og9A1 ASP 219 H 0.16 0.05 0.19 -0.55 8.40 8.25 2og9A1 ASP 219 HA 0.07 0.16 0.70 -0.75 4.63 4.80 2og9A1 ASP 219 HB2 0.03 -0.03 0.17 -0.04 2.71 2.84 2og9A1 ASP 219 HB3 0.05 0.10 0.11 -0.04 2.70 2.92 2og9A1 ARG 220 H 0.02 0.13 0.14 -0.55 8.46 8.19 2og9A1 ARG 220 HA 0.03 0.11 0.29 -0.75 4.34 4.02 2og9A1 ARG 220 HB2 0.01 -0.01 0.14 -0.04 1.90 2.00 2og9A1 ARG 220 HB3 0.01 0.07 -0.02 -0.04 1.80 1.83 2og9A1 ARG 220 HG2 -0.01 0.05 0.04 -0.04 1.67 1.70 2og9A1 ARG 220 HG3 -0.01 -0.06 0.10 -0.04 1.67 1.67 2og9A1 ARG 220 HD2 0.00 0.00 0.03 -0.04 3.22 3.21 2og9A1 ARG 220 HD3 0.01 0.08 -0.00 -0.04 3.22 3.26 2og9A1 PRO 221 HA -0.01 0.13 0.43 -0.51 4.44 4.47 2og9A1 PRO 221 HB2 -0.02 -0.02 0.04 -0.04 2.28 2.24 2og9A1 PRO 221 HB3 -0.02 0.07 0.05 -0.04 2.02 2.09 2og9A1 PRO 221 HG2 -0.00 0.05 0.05 -0.04 2.03 2.09 2og9A1 PRO 221 HG3 -0.00 0.08 0.03 -0.04 2.03 2.11 2og9A1 PRO 221 HD2 0.01 0.01 -0.03 -0.04 3.68 3.63 2og9A1 PRO 221 HD3 0.01 0.07 0.12 -0.04 3.65 3.81 2og9A1 THR 222 H -0.03 0.06 -0.20 -0.55 8.28 7.56 2og9A1 THR 222 HA -0.19 0.05 0.41 -0.75 4.39 3.91 2og9A1 THR 222 HB -0.03 -0.05 0.16 -0.04 4.32 4.35 2og9A1 THR 222 HG23 -0.42 0.02 -0.06 -0.04 1.22 0.73 2og9A1 ALA 223 H -0.03 0.60 -0.15 -0.55 8.40 8.28 2og9A1 ALA 223 HA -0.51 0.01 0.33 -0.75 4.34 3.41 2og9A1 ALA 223 HB3 0.20 0.02 -0.10 -0.04 1.41 1.49 2og9A1 GLN 224 H -0.04 0.39 -0.31 -0.55 8.47 7.96 2og9A1 GLN 224 HA 0.15 0.04 0.35 -0.75 4.36 4.15 2og9A1 GLN 224 HB2 0.05 0.05 0.11 -0.04 2.15 2.32 2og9A1 GLN 224 HB3 0.00 0.09 0.14 -0.04 2.02 2.21 2og9A1 GLN 224 HG2 0.05 -0.08 -0.04 -0.04 2.40 2.30 2og9A1 GLN 224 HG3 0.15 -0.01 -0.14 -0.04 2.39 2.35 2og9A1 GLN 224 HE21 -0.10 0.05 -0.04 -0.04 6.97 6.84 2og9A1 GLN 224 HE22 0.08 -0.02 -0.04 -0.04 7.69 7.66 2og9A1 ARG 225 H -0.15 0.36 -0.17 -0.55 8.46 7.95 2og9A1 ARG 225 HA -0.08 0.03 0.33 -0.75 4.34 3.87 2og9A1 ARG 225 HB2 -0.19 0.11 0.19 -0.04 1.90 1.97 2og9A1 ARG 225 HB3 -0.18 -0.08 0.14 -0.04 1.80 1.64 2og9A1 ARG 225 HG2 -0.08 -0.07 0.03 -0.04 1.67 1.51 2og9A1 ARG 225 HG3 -0.07 -0.02 0.04 -0.04 1.67 1.58 2og9A1 ARG 225 HD2 -0.03 -0.03 -0.09 -0.04 3.22 3.03 2og9A1 ARG 225 HD3 -0.06 0.13 0.04 -0.04 3.22 3.28 2og9A1 CYS 227 HA -0.10 -0.09 0.27 -0.75 4.58 3.91 2og9A1 CYS 227 HB2 -0.95 0.10 0.07 -0.04 2.97 2.14 2og9A1 CYS 227 HB3 -1.34 -0.02 -0.07 -0.04 2.97 1.50 2og9A1 ARG 228 H -0.32 0.50 -0.94 -0.55 8.46 7.15 2og9A1 ARG 228 HA 0.12 0.01 0.40 -0.75 4.34 4.12 2og9A1 ARG 228 HB2 0.18 0.10 0.12 -0.04 1.90 2.26 2og9A1 ARG 228 HB3 -0.04 0.15 0.20 -0.04 1.80 2.07 2og9A1 ARG 228 HG2 0.05 -0.08 -0.00 -0.04 1.67 1.60 2og9A1 ARG 228 HG3 0.04 -0.03 -0.17 -0.04 1.67 1.47 2og9A1 ARG 228 HD2 0.10 -0.06 0.01 -0.04 3.22 3.23 2og9A1 ARG 228 HD3 0.23 0.02 0.10 -0.04 3.22 3.52 2og9A1 ILE 229 H -0.19 0.48 0.26 -0.55 8.25 8.26 2og9A1 ILE 229 HA -0.04 0.03 0.45 -0.75 4.18 3.86 2og9A1 ILE 229 HB -0.43 -0.01 0.01 -0.04 1.89 1.42 2og9A1 ILE 229 HG12 -0.11 -0.06 0.05 -0.04 1.49 1.33 2og9A1 ILE 229 HG13 -0.16 0.27 0.16 -0.04 1.21 1.43 2og9A1 ILE 229 HG23 -0.13 -0.02 -0.09 -0.04 0.93 0.64 2og9A1 ILE 229 HD13 -0.20 -0.04 -0.01 -0.04 0.88 0.59 2og9A1 PHE 230 H -0.10 0.15 -0.29 -0.55 8.34 7.55 2og9A1 PHE 230 HA 0.29 0.02 0.40 -0.75 4.62 4.58 2og9A1 PHE 230 HB2 -0.07 0.12 0.04 -0.04 3.15 3.20 2og9A1 PHE 230 HB3 -0.03 0.00 -0.01 -0.04 3.06 2.98 2og9A1 PHE 230 HD2 -0.40 0.07 -0.04 -0.04 7.28 6.88 2og9A1 PHE 230 HE2 -0.08 -0.04 -0.10 -0.04 7.38 7.12 2og9A1 PHE 230 HZ -0.01 -0.12 -0.16 -0.04 7.32 6.99 2og9A1 GLU 231 H 0.11 0.39 -0.39 -0.55 8.60 8.15 2og9A1 GLU 231 HA 0.14 -0.04 0.35 -0.75 4.29 3.99 2og9A1 GLU 231 HB2 0.11 0.22 0.18 -0.04 2.09 2.56 2og9A1 GLU 231 HB3 0.12 -0.08 0.00 -0.04 1.99 1.99 2og9A1 GLU 231 HG2 0.08 0.27 0.10 -0.04 2.34 2.75 2og9A1 GLU 231 HG3 0.29 -0.03 0.10 -0.04 2.34 2.65 2og9A1 PRO 232 HA 0.02 0.05 0.46 -0.51 4.44 4.46 2og9A1 PRO 232 HB2 -0.16 0.03 -0.02 -0.04 2.28 2.09 2og9A1 PRO 232 HB3 -0.07 -0.04 0.08 -0.04 2.02 1.95 2og9A1 PRO 232 HG2 -0.01 -0.00 0.07 -0.04 2.03 2.05 2og9A1 PRO 232 HG3 0.02 -0.03 0.05 -0.04 2.03 2.03 2og9A1 PRO 232 HD2 0.15 0.46 -0.07 -0.04 3.68 4.18 2og9A1 PRO 232 HD3 0.09 0.16 0.08 -0.04 3.65 3.94 2og9A1 PHE 233 H 0.35 0.36 -0.37 -0.55 8.34 8.13 2og9A1 PHE 233 HA 0.04 -0.00 0.35 -0.75 4.62 4.25 2og9A1 PHE 233 HB2 0.12 0.31 0.13 -0.04 3.15 3.68 2og9A1 PHE 233 HB3 0.03 -0.03 -0.06 -0.04 3.06 2.96 2og9A1 PHE 233 HD2 0.12 0.07 0.02 -0.04 7.28 7.45 2og9A1 PHE 233 HE2 0.04 -0.02 -0.15 -0.04 7.38 7.21 2og9A1 PHE 233 HZ 0.06 -0.01 -0.01 -0.04 7.32 7.31 2og9A1 ASN 234 H 0.14 0.34 -0.32 -0.55 8.53 8.15 2og9A1 ASN 234 HA 0.07 0.03 0.29 -0.75 4.76 4.39 2og9A1 ASN 234 HB2 0.04 0.17 -0.10 -0.04 2.88 2.95 2og9A1 ASN 234 HB3 0.04 -0.04 0.20 -0.04 2.79 2.95 2og9A1 ASN 234 HD21 0.02 -0.11 -0.01 -0.04 7.03 6.89 2og9A1 ASN 234 HD22 0.02 0.00 -0.06 -0.04 7.74 7.66 2og9A1 LEU 235 H 0.05 -0.01 -0.15 -0.55 8.37 7.72 2og9A1 LEU 235 HA -0.13 0.14 0.47 -0.75 4.35 4.08 2og9A1 LEU 235 HB2 -0.11 -0.07 -0.08 -0.04 1.64 1.34 2og9A1 LEU 235 HB3 -0.28 0.11 0.26 -0.04 1.64 1.69 2og9A1 LEU 235 HG -0.04 -0.05 -0.10 -0.04 1.64 1.42 2og9A1 LEU 235 HD13 -0.60 -0.00 -0.09 -0.04 0.93 0.20 2og9A1 LEU 235 HD23 -0.23 -0.00 -0.17 -0.04 0.89 0.44 2og9A1 VAL 236 H -0.40 0.63 0.25 -0.55 8.24 8.17 2og9A1 VAL 236 HA -0.13 0.08 0.43 -0.75 4.13 3.75 2og9A1 VAL 236 HB -1.24 -0.07 -0.01 -0.04 2.12 0.76 2og9A1 VAL 236 HG13 -0.83 -0.01 -0.14 -0.04 0.97 -0.05 2og9A1 VAL 236 HG23 -0.56 0.00 0.04 -0.04 0.95 0.40 2og9A1 TRP 237 H -0.49 0.22 -0.05 -0.55 7.97 7.11 2og9A1 TRP 237 HA -0.07 0.26 0.27 -0.75 4.62 4.33 2og9A1 TRP 237 HB2 -0.10 -0.08 -0.22 -0.04 3.23 2.78 2og9A1 TRP 237 HB3 -0.31 0.18 -0.33 -0.04 3.23 2.74 2og9A1 TRP 237 HD1 -0.26 0.03 -0.74 -0.04 7.22 6.20 2og9A1 TRP 237 HE1 -0.34 -0.09 -0.23 -0.04 10.20 9.50 2og9A1 TRP 237 HE3 -1.77 0.13 -0.29 -0.04 7.59 5.62 2og9A1 TRP 237 HZ2 -0.62 -0.10 -0.24 -0.04 7.44 6.44 2og9A1 TRP 237 HZ3 -0.98 0.10 -0.19 -0.04 7.13 6.02 2og9A1 TRP 237 HH2 -0.50 -0.01 -0.25 -0.04 7.19 6.39 2og9A1 ILE 238 H 0.20 0.65 0.21 -0.55 8.25 8.76 2og9A1 ILE 238 HA 0.03 0.21 0.84 -0.75 4.18 4.51 2og9A1 ILE 238 HB 0.12 0.05 0.13 -0.04 1.89 2.15 2og9A1 ILE 238 HG12 -0.11 -0.00 -0.04 -0.04 1.49 1.29 2og9A1 ILE 238 HG13 0.01 0.04 -0.30 -0.04 1.21 0.91 2og9A1 ILE 238 HG23 0.21 -0.04 -0.14 -0.04 0.93 0.92 2og9A1 ILE 238 HD13 0.10 -0.00 -0.06 -0.04 0.88 0.87 2og9A1 GLU 239 H 0.09 0.83 0.27 -0.55 8.60 9.24 2og9A1 GLU 239 HA -0.17 0.26 0.96 -0.75 4.29 4.58 2og9A1 GLU 239 HB2 0.04 0.11 -0.03 -0.04 2.09 2.16 2og9A1 GLU 239 HB3 0.02 -0.06 0.24 -0.04 1.99 2.15 2og9A1 GLU 239 HG2 -0.17 -0.14 -0.19 -0.04 2.34 1.80 2og9A1 GLU 239 HG3 -0.32 0.04 -0.10 -0.04 2.34 1.92 2og9A1 GLU 240 H -0.17 0.74 0.42 -0.55 8.60 9.03 2og9A1 GLU 240 HA -0.05 0.08 0.43 -0.75 4.29 3.99 2og9A1 GLU 240 HB2 -0.14 -0.04 -0.13 -0.04 2.09 1.73 2og9A1 GLU 240 HB3 -0.10 -0.14 0.24 -0.04 1.99 1.95 2og9A1 GLU 240 HG2 -0.20 0.08 0.09 -0.04 2.34 2.27 2og9A1 GLU 240 HG3 -0.17 -0.00 0.00 -0.04 2.34 2.13 2og9A1 PRO 241 HA -0.12 0.02 0.39 -0.51 4.44 4.21 2og9A1 PRO 241 HB2 0.44 0.01 -0.08 -0.04 2.28 2.61 2og9A1 PRO 241 HB3 0.41 0.09 -0.04 -0.04 2.02 2.43 2og9A1 PRO 241 HG2 0.33 -0.06 -0.03 -0.04 2.03 2.23 2og9A1 PRO 241 HG3 0.28 0.16 -0.03 -0.04 2.03 2.40 2og9A1 PRO 241 HD2 0.17 0.07 0.12 -0.04 3.68 4.00 2og9A1 PRO 241 HD3 0.09 0.26 -0.27 -0.04 3.65 3.69 2og9A1 LEU 242 H 0.29 0.11 -0.30 -0.55 8.37 7.93 2og9A1 LEU 242 HA 0.04 0.41 0.81 -0.75 4.35 4.85 2og9A1 LEU 242 HB2 -0.72 0.06 -0.10 -0.04 1.64 0.83 2og9A1 LEU 242 HB3 -0.16 -0.16 0.10 -0.04 1.64 1.38 2og9A1 LEU 242 HG -0.02 -0.02 -0.44 -0.04 1.64 1.11 2og9A1 LEU 242 HD13 -0.24 0.01 -0.22 -0.04 0.93 0.44 2og9A1 LEU 242 HD23 0.06 0.07 -0.33 -0.04 0.89 0.65 2og9A1 ASP 243 H -0.02 0.12 0.12 -0.55 8.40 8.07 2og9A1 ASP 243 HA 0.02 0.13 0.45 -0.75 4.63 4.48 2og9A1 ASP 243 HB2 0.01 0.13 0.15 -0.04 2.71 2.97 2og9A1 ASP 243 HB3 -0.00 -0.08 0.13 -0.04 2.70 2.71 2og9A1 ALA 244 H 0.01 0.18 0.19 -0.55 8.40 8.23 2og9A1 ALA 244 HA -0.03 0.10 0.33 -0.75 4.34 3.98 2og9A1 ALA 244 HB3 -0.21 0.02 0.08 -0.04 1.41 1.26 2og9A1 TYR 245 H 0.07 -0.01 -0.49 -0.55 8.29 7.31 2og9A1 TYR 245 HA -0.33 0.26 0.82 -0.75 4.56 4.55 2og9A1 TYR 245 HB2 -0.12 -0.02 0.01 -0.04 3.06 2.89 2og9A1 TYR 245 HB3 -0.22 0.00 0.12 -0.04 2.98 2.84 2og9A1 TYR 245 HD2 -0.11 -0.02 -0.01 -0.04 7.15 6.98 2og9A1 TYR 245 HE2 -0.04 -0.01 -0.02 -0.04 6.85 6.74 2og9A1 ASP 246 H -0.03 0.63 -0.27 -0.55 8.40 8.19 2og9A1 ASP 246 HA -0.09 0.09 0.63 -0.75 4.63 4.50 2og9A1 ASP 246 HB2 -0.06 -0.03 0.10 -0.04 2.71 2.68 2og9A1 ASP 246 HB3 -0.17 0.13 0.18 -0.04 2.70 2.79 2og9A1 HIS 247 H -0.30 0.45 -0.05 -0.55 8.41 7.96 2og9A1 HIS 247 HA -0.02 0.13 0.32 -0.75 4.63 4.31 2og9A1 HIS 247 HB2 -0.75 -0.04 0.07 -0.04 3.26 2.51 2og9A1 HIS 247 HB3 -0.69 0.10 -0.03 -0.04 3.20 2.54 2og9A1 HIS 247 HD2 -0.10 0.04 -0.18 -0.04 6.97 6.68 2og9A1 HIS 247 HE1 -0.03 -0.04 0.03 -0.04 7.75 7.66 2og9A1 GLU 248 H -0.01 0.07 -0.07 -0.55 8.60 8.05 2og9A1 GLU 248 HA 0.20 0.20 0.43 -0.75 4.29 4.37 2og9A1 GLU 248 HB2 0.05 -0.10 0.07 -0.04 2.09 2.07 2og9A1 GLU 248 HB3 0.08 0.05 -0.05 -0.04 1.99 2.03 2og9A1 GLU 248 HG2 0.23 0.10 0.02 -0.04 2.34 2.66 2og9A1 GLU 248 HG3 0.23 -0.04 0.04 -0.04 2.34 2.52 2og9A1 GLY 249 H -0.01 -0.01 -0.35 -0.55 8.43 7.52 2og9A1 GLY 249 HA2 0.00 0.05 0.36 -0.51 4.01 3.92 2og9A1 GLY 249 HA3 -0.07 -0.01 0.25 -0.51 4.01 3.67 2og9A1 HIS 250 H 0.01 0.46 -0.12 -0.55 8.41 8.21 2og9A1 HIS 250 HA 0.07 -0.01 0.40 -0.75 4.63 4.34 2og9A1 HIS 250 HB2 0.03 0.00 0.13 -0.04 3.26 3.38 2og9A1 HIS 250 HB3 0.02 0.36 0.06 -0.04 3.20 3.59 2og9A1 HIS 250 HD2 0.04 0.06 -0.01 -0.04 6.97 7.02 2og9A1 HIS 250 HE1 -0.05 0.09 -0.40 -0.04 7.75 7.34 2og9A1 ALA 251 H 0.14 0.47 -0.19 -0.55 8.40 8.28 2og9A1 ALA 251 HA 0.09 0.22 0.39 -0.75 4.34 4.29 2og9A1 ALA 251 HB3 0.12 -0.01 -0.00 -0.04 1.41 1.48 2og9A1 ALA 252 H 0.08 0.42 -0.26 -0.55 8.40 8.09 2og9A1 ALA 252 HA 0.03 0.03 0.42 -0.75 4.34 4.07 2og9A1 ALA 252 HB3 0.04 0.00 0.08 -0.04 1.41 1.49 2og9A1 LEU 253 H 0.12 0.39 -0.18 -0.55 8.37 8.14 2og9A1 LEU 253 HA 0.26 -0.01 0.45 -0.75 4.35 4.29 2og9A1 LEU 253 HB2 0.20 0.13 0.16 -0.04 1.64 2.09 2og9A1 LEU 253 HB3 0.29 0.02 -0.04 -0.04 1.64 1.87 2og9A1 LEU 253 HG 0.13 0.04 0.01 -0.04 1.64 1.78 2og9A1 LEU 253 HD13 0.14 -0.04 -0.13 -0.04 0.93 0.86 2og9A1 LEU 253 HD23 0.28 -0.01 -0.13 -0.04 0.89 0.99 2og9A1 ALA 254 H 0.13 0.54 -0.11 -0.55 8.40 8.42 2og9A1 ALA 254 HA 0.14 0.09 0.36 -0.75 4.34 4.17 2og9A1 ALA 254 HB3 0.07 0.01 0.02 -0.04 1.41 1.47 2og9A1 LEU 255 H 0.05 0.37 -0.29 -0.55 8.37 7.95 2og9A1 LEU 255 HA 0.01 0.06 0.45 -0.75 4.35 4.12 2og9A1 LEU 255 HB2 0.01 0.05 0.10 -0.04 1.64 1.76 2og9A1 LEU 255 HB3 -0.01 0.02 0.13 -0.04 1.64 1.75 2og9A1 LEU 255 HG -0.03 -0.02 -0.18 -0.04 1.64 1.37 2og9A1 LEU 255 HD13 -0.01 -0.00 0.05 -0.04 0.93 0.92 2og9A1 LEU 255 HD23 -0.01 -0.04 -0.02 -0.04 0.89 0.78 2og9A1 GLN 256 H -0.06 0.33 -0.23 -0.55 8.47 7.97 2og9A1 GLN 256 HA -0.20 -0.01 0.50 -0.75 4.36 3.90 2og9A1 GLN 256 HB2 -0.25 -0.07 0.10 -0.04 2.15 1.89 2og9A1 GLN 256 HB3 -0.49 0.10 0.18 -0.04 2.02 1.76 2og9A1 GLN 256 HG2 -0.75 -0.09 -0.03 -0.04 2.40 1.49 2og9A1 GLN 256 HG3 -1.52 0.02 -0.25 -0.04 2.39 0.60 2og9A1 GLN 256 HE21 -0.14 -0.07 0.00 -0.04 6.97 6.72 2og9A1 GLN 256 HE22 -0.18 0.02 0.00 -0.04 7.69 7.49 2og9A1 PHE 257 H 0.06 0.61 -0.01 -0.55 8.34 8.45 2og9A1 PHE 257 HA 0.04 0.10 0.92 -0.75 4.62 4.93 2og9A1 PHE 257 HB2 0.07 0.16 -0.00 -0.04 3.15 3.34 2og9A1 PHE 257 HB3 0.07 -0.15 0.00 -0.04 3.06 2.94 2og9A1 PHE 257 HD2 0.05 0.06 -0.01 -0.04 7.28 7.35 2og9A1 PHE 257 HE2 0.02 -0.08 -0.04 -0.04 7.38 7.24 2og9A1 PHE 257 HZ -0.01 0.04 0.02 -0.04 7.32 7.33 2og9A1 ASP 258 H 0.23 0.04 0.15 -0.55 8.40 8.26 2og9A1 ASP 258 HA 0.10 0.12 0.44 -0.75 4.63 4.53 2og9A1 ASP 258 HB2 0.12 -0.06 0.13 -0.04 2.71 2.86 2og9A1 ASP 258 HB3 0.09 0.03 -0.01 -0.04 2.70 2.77 2og9A1 THR 259 H 0.18 -0.08 -0.09 -0.55 8.28 7.74 2og9A1 THR 259 HA 0.12 0.18 0.34 -0.75 4.39 4.27 2og9A1 THR 259 HB 0.10 -0.08 -0.05 -0.04 4.32 4.24 2og9A1 THR 259 HG23 0.07 0.08 -0.27 -0.04 1.22 1.06 2og9A1 PRO 260 HA 0.14 0.05 0.45 -0.51 4.44 4.57 2og9A1 PRO 260 HB2 0.49 0.03 0.12 -0.04 2.28 2.88 2og9A1 PRO 260 HB3 0.26 -0.07 0.06 -0.04 2.02 2.24 2og9A1 PRO 260 HG2 0.34 0.11 0.14 -0.04 2.03 2.57 2og9A1 PRO 260 HG3 0.15 0.03 0.11 -0.04 2.03 2.28 2og9A1 PRO 260 HD2 0.16 0.24 0.06 -0.04 3.68 4.10 2og9A1 PRO 260 HD3 0.14 0.16 0.24 -0.04 3.65 4.14 2og9A1 ILE 261 H 0.10 0.13 0.24 -0.55 8.25 8.17 2og9A1 ILE 261 HA 0.09 0.25 0.93 -0.75 4.18 4.68 2og9A1 ILE 261 HB 0.06 -0.06 0.13 -0.04 1.89 1.98 2og9A1 ILE 261 HG12 0.15 0.16 -0.11 -0.04 1.49 1.65 2og9A1 ILE 261 HG13 0.17 -0.06 -0.11 -0.04 1.21 1.17 2og9A1 ILE 261 HG23 0.06 -0.02 -0.05 -0.04 0.93 0.89 2og9A1 ILE 261 HD13 0.16 0.01 -0.13 -0.04 0.88 0.88 2og9A1 ALA 262 H -0.12 0.61 0.29 -0.55 8.40 8.63 2og9A1 ALA 262 HA -0.24 0.32 1.08 -0.75 4.34 4.74 2og9A1 ALA 262 HB3 -0.92 0.00 -0.08 -0.04 1.41 0.36 2og9A1 THR 263 H -0.27 0.62 0.33 -0.55 8.28 8.42 2og9A1 THR 263 HA -0.29 -0.05 0.58 -0.75 4.39 3.87 2og9A1 THR 263 HB -0.55 0.08 -0.14 -0.04 4.32 3.67 2og9A1 THR 263 HG23 -0.37 0.03 -0.23 -0.04 1.22 0.60 2og9A1 GLY 264 H -0.24 0.08 0.16 -0.55 8.43 7.88 2og9A1 GLY 264 HA2 -0.28 0.03 0.35 -0.51 4.01 3.59 2og9A1 GLY 264 HA3 -0.11 0.25 0.92 -0.51 4.01 4.57 2og9A1 GLU 265 H -0.20 0.05 -0.11 -0.55 8.60 7.80 2og9A1 GLU 265 HA -0.01 0.10 0.10 -0.75 4.29 3.72 2og9A1 GLU 265 HB2 -0.50 -0.01 0.02 -0.04 2.09 1.56 2og9A1 GLU 265 HB3 -0.37 0.09 -0.04 -0.04 1.99 1.62 2og9A1 GLU 265 HG2 -0.26 -0.11 0.04 -0.04 2.34 1.98 2og9A1 GLU 265 HG3 -0.25 0.02 0.01 -0.04 2.34 2.08 2og9A1 LEU 267 HA -0.07 -0.14 0.28 -0.75 4.35 3.66 2og9A1 LEU 267 HB2 -0.47 0.14 0.02 -0.04 1.64 1.28 2og9A1 LEU 267 HB3 -0.28 -0.19 0.03 -0.04 1.64 1.16 2og9A1 LEU 267 HG -0.38 -0.05 0.09 -0.04 1.64 1.26 2og9A1 LEU 267 HD13 -0.61 0.00 -0.14 -0.04 0.93 0.14 2og9A1 LEU 267 HD23 -0.49 0.01 -0.01 -0.04 0.89 0.36 2og9A1 THR 268 H 0.06 0.00 0.13 -0.55 8.28 7.92 2og9A1 THR 268 HA 0.09 0.38 0.95 -0.75 4.39 5.06 2og9A1 THR 268 HB 0.05 -0.05 0.37 -0.04 4.32 4.64 2og9A1 THR 268 HG23 0.03 0.02 -0.07 -0.04 1.22 1.16 2og9A1 SER 269 H 0.12 0.20 0.06 -0.55 8.46 8.29 2og9A1 SER 269 HA 0.12 0.37 0.65 -0.75 4.49 4.87 2og9A1 SER 269 HB2 0.09 0.05 0.22 -0.04 3.95 4.27 2og9A1 SER 269 HB3 0.09 0.15 -0.10 -0.04 3.93 4.03 2og9A1 ALA 270 H 0.03 0.30 0.20 -0.55 8.40 8.38 2og9A1 ALA 270 HA 0.02 0.14 0.42 -0.75 4.34 4.16 2og9A1 ALA 270 HB3 -0.06 0.04 0.09 -0.04 1.41 1.44 2og9A1 ALA 271 H 0.04 0.11 -0.10 -0.55 8.40 7.90 2og9A1 ALA 271 HA 0.03 0.14 0.40 -0.75 4.34 4.15 2og9A1 ALA 271 HB3 0.04 0.02 0.04 -0.04 1.41 1.47 2og9A1 GLU 272 H 0.06 0.09 -0.28 -0.55 8.60 7.92 2og9A1 GLU 272 HA 0.08 0.08 0.45 -0.75 4.29 4.14 2og9A1 GLU 272 HB2 -0.03 0.06 0.11 -0.04 2.09 2.19 2og9A1 GLU 272 HB3 0.01 0.07 0.05 -0.04 1.99 2.07 2og9A1 GLU 272 HG2 0.14 0.05 0.01 -0.04 2.34 2.49 2og9A1 GLU 272 HG3 0.08 -0.06 0.02 -0.04 2.34 2.34 2og9A1 HIS 273 H 0.08 0.36 -0.17 -0.55 8.41 8.13 2og9A1 HIS 273 HA -0.12 0.06 0.46 -0.75 4.63 4.28 2og9A1 HIS 273 HB2 -0.08 0.07 0.15 -0.04 3.26 3.36 2og9A1 HIS 273 HB3 -0.11 0.05 -0.02 -0.04 3.20 3.07 2og9A1 HIS 273 HD2 -0.05 0.08 -0.10 -0.04 6.97 6.85 2og9A1 HIS 273 HE1 -0.13 0.04 0.03 -0.04 7.75 7.65 2og9A1 GLY 274 H 0.04 0.40 -0.26 -0.55 8.43 8.07 2og9A1 GLY 274 HA2 -0.00 0.08 0.39 -0.51 4.01 3.97 2og9A1 GLY 274 HA3 0.01 0.05 0.29 -0.51 4.01 3.85 2og9A1 ASP 275 H -0.00 0.37 -0.24 -0.55 8.40 7.98 2og9A1 ASP 275 HA 0.07 0.04 0.41 -0.75 4.63 4.40 2og9A1 ASP 275 HB2 0.09 0.05 0.15 -0.04 2.71 2.95 2og9A1 ASP 275 HB3 0.06 0.09 0.13 -0.04 2.70 2.95 2og9A1 LEU 276 H -0.30 0.45 -0.14 -0.55 8.37 7.84 2og9A1 LEU 276 HA -0.80 -0.04 0.37 -0.75 4.35 3.13 2og9A1 LEU 276 HB2 -0.54 0.01 0.11 -0.04 1.64 1.18 2og9A1 LEU 276 HB3 -0.25 0.16 0.14 -0.04 1.64 1.65 2og9A1 LEU 276 HG -0.27 -0.05 -0.10 -0.04 1.64 1.18 2og9A1 LEU 276 HD13 -0.24 -0.00 -0.15 -0.04 0.93 0.49 2og9A1 LEU 276 HD23 -0.13 -0.00 -0.40 -0.04 0.89 0.31 2og9A1 ILE 277 H -0.09 0.57 -0.23 -0.55 8.25 7.95 2og9A1 ILE 277 HA -0.04 0.02 0.39 -0.75 4.18 3.80 2og9A1 ILE 277 HB -0.02 0.04 0.11 -0.04 1.89 1.98 2og9A1 ILE 277 HG12 -0.04 0.02 -0.05 -0.04 1.49 1.39 2og9A1 ILE 277 HG13 -0.03 0.08 0.03 -0.04 1.21 1.25 2og9A1 ILE 277 HG23 -0.01 0.01 -0.14 -0.04 0.93 0.76 2og9A1 ILE 277 HD13 -0.03 -0.03 -0.21 -0.04 0.88 0.57 2og9A1 ARG 278 H 0.00 0.45 -0.22 -0.55 8.46 8.14 2og9A1 ARG 278 HA -0.01 0.04 0.42 -0.75 4.34 4.05 2og9A1 ARG 278 HB2 0.01 0.04 0.13 -0.04 1.90 2.04 2og9A1 ARG 278 HB3 0.06 0.08 0.16 -0.04 1.80 2.06 2og9A1 ARG 278 HG2 -0.11 -0.01 -0.13 -0.04 1.67 1.38 2og9A1 ARG 278 HG3 -0.03 -0.00 0.05 -0.04 1.67 1.65 2og9A1 ARG 278 HD2 -0.03 -0.04 -0.02 -0.04 3.22 3.09 2og9A1 ARG 278 HD3 0.00 -0.02 -0.01 -0.04 3.22 3.15 2og9A1 HIS 279 H 0.16 0.37 -0.30 -0.55 8.41 8.09 2og9A1 HIS 279 HA 0.00 0.05 0.47 -0.75 4.63 4.39 2og9A1 HIS 279 HB2 -0.05 0.09 0.04 -0.04 3.26 3.31 2og9A1 HIS 279 HB3 0.03 0.00 -0.10 -0.04 3.20 3.10 2og9A1 HIS 279 HD2 0.07 -0.03 -0.15 -0.04 6.97 6.81 2og9A1 HIS 279 HE1 0.11 -0.05 -0.03 -0.04 7.75 7.74 2og9A1 ARG 280 H 0.02 0.29 -0.55 -0.55 8.46 7.67 2og9A1 ARG 280 HA -0.00 0.07 0.29 -0.75 4.34 3.94 2og9A1 ARG 280 HB2 0.02 0.16 0.10 -0.04 1.90 2.14 2og9A1 ARG 280 HB3 0.00 -0.01 0.16 -0.04 1.80 1.92 2og9A1 ARG 280 HG2 -0.01 0.06 0.02 -0.04 1.67 1.69 2og9A1 ARG 280 HG3 -0.01 0.07 -0.27 -0.04 1.67 1.42 2og9A1 ARG 280 HD2 -0.02 -0.05 -0.02 -0.04 3.22 3.10 2og9A1 ARG 280 HD3 -0.01 -0.05 -0.06 -0.04 3.22 3.07 2og9A1 ALA 281 H -0.01 0.41 -0.07 -0.55 8.40 8.18 2og9A1 ALA 281 HA 0.07 0.17 0.39 -0.75 4.34 4.21 2og9A1 ALA 281 HB3 0.02 -0.04 0.02 -0.04 1.41 1.37 2og9A1 ALA 282 H -0.04 0.20 -0.36 -0.55 8.40 7.66 2og9A1 ALA 282 HA -0.06 0.14 0.59 -0.75 4.34 4.25 2og9A1 ALA 282 HB3 -0.13 0.01 -0.27 -0.04 1.41 0.97 2og9A1 ASP 283 H -0.03 0.46 0.27 -0.55 8.40 8.55 2og9A1 ASP 283 HA -0.09 0.13 0.58 -0.75 4.63 4.49 2og9A1 ASP 283 HB2 0.04 -0.04 0.19 -0.04 2.71 2.85 2og9A1 ASP 283 HB3 -0.12 0.08 0.08 -0.04 2.70 2.69 2og9A1 TYR 284 H -0.01 0.34 0.13 -0.55 8.29 8.20 2og9A1 TYR 284 HA -0.11 0.28 0.82 -0.75 4.56 4.79 2og9A1 TYR 284 HB2 -0.45 -0.13 0.04 -0.04 3.06 2.48 2og9A1 TYR 284 HB3 -0.48 0.01 -0.11 -0.04 2.98 2.37 2og9A1 TYR 284 HD2 0.05 -0.02 -0.21 -0.04 7.15 6.93 2og9A1 TYR 284 HE2 0.35 0.16 -0.06 -0.04 6.85 7.26 2og9A1 LEU 285 H -0.10 0.28 -0.05 -0.55 8.37 7.95 2og9A1 LEU 285 HA -0.13 0.21 0.52 -0.75 4.35 4.20 2og9A1 LEU 285 HB2 -0.10 0.06 -0.08 -0.04 1.64 1.48 2og9A1 LEU 285 HB3 -0.16 0.03 -0.06 -0.04 1.64 1.40 2og9A1 LEU 285 HG -0.06 0.01 -0.06 -0.04 1.64 1.49 2og9A1 LEU 285 HD13 0.03 0.02 -0.03 -0.04 0.93 0.90 2og9A1 LEU 285 HD23 -0.13 -0.02 -0.12 -0.04 0.89 0.58 2og9A1 PRO 287 HA 0.04 0.01 0.12 -0.51 4.44 4.10 2og9A1 PRO 287 HB2 -0.45 -0.08 -0.19 -0.04 2.28 1.52 2og9A1 PRO 287 HB3 -0.86 -0.02 -0.10 -0.04 2.02 1.00 2og9A1 PRO 287 HG2 -0.23 -0.04 -0.02 -0.04 2.03 1.69 2og9A1 PRO 287 HG3 -0.71 0.04 -0.23 -0.04 2.03 1.09 2og9A1 PRO 287 HD2 -0.18 0.19 0.89 -0.04 3.68 4.54 2og9A1 PRO 287 HD3 -0.24 -0.07 -1.61 -0.04 3.65 1.69 2og9A1 ASP 288 H 0.17 0.27 -0.03 -0.55 8.40 8.26 2og9A1 ASP 288 HA 0.28 0.25 0.85 -0.75 4.63 5.26 2og9A1 ASP 288 HB2 0.28 0.07 0.02 -0.04 2.71 3.04 2og9A1 ASP 288 HB3 0.23 0.06 0.19 -0.04 2.70 3.14 2og9A1 ALA 289 H 0.78 0.28 0.00 -0.55 8.40 8.91 2og9A1 ALA 289 HA 0.34 0.08 0.25 -0.75 4.34 4.25 2og9A1 ALA 289 HB3 -0.20 0.01 -0.06 -0.04 1.41 1.13 2og9A1 PRO 290 HA 0.03 0.05 0.49 -0.51 4.44 4.50 2og9A1 PRO 290 HB2 0.39 0.03 0.01 -0.04 2.28 2.67 2og9A1 PRO 290 HB3 0.14 -0.00 0.16 -0.04 2.02 2.28 2og9A1 PRO 290 HG2 0.18 0.04 -0.01 -0.04 2.03 2.20 2og9A1 PRO 290 HG3 -0.26 0.11 0.06 -0.04 2.03 1.90 2og9A1 PRO 290 HD2 0.31 0.13 -0.04 -0.04 3.68 4.04 2og9A1 PRO 290 HD3 -0.13 0.10 0.10 -0.04 3.65 3.68 2og9A1 ARG 291 H 0.19 0.15 -0.35 -0.55 8.46 7.90 2og9A1 ARG 291 HA -0.06 0.04 0.53 -0.75 4.34 4.10 2og9A1 ARG 291 HB2 0.06 -0.10 0.11 -0.04 1.90 1.93 2og9A1 ARG 291 HB3 0.14 0.15 0.16 -0.04 1.80 2.20 2og9A1 ARG 291 HG2 0.05 0.09 0.04 -0.04 1.67 1.80 2og9A1 ARG 291 HG3 -0.05 -0.12 0.13 -0.04 1.67 1.58 2og9A1 ARG 291 HD2 0.08 0.35 0.24 -0.04 3.22 3.85 2og9A1 ARG 291 HD3 0.02 -0.11 0.03 -0.04 3.22 3.12 2og9A1 VAL 292 H 0.15 0.45 -0.12 -0.55 8.24 8.17 2og9A1 VAL 292 HA 0.12 0.15 0.54 -0.75 4.13 4.19 2og9A1 VAL 292 HB 0.10 -0.18 -0.17 -0.04 2.12 1.83 2og9A1 VAL 292 HG13 0.14 0.02 -0.20 -0.04 0.97 0.89 2og9A1 VAL 292 HG23 0.13 0.03 -0.22 -0.04 0.95 0.85 2og9A1 GLY 293 H 0.14 0.24 -0.29 -0.55 8.43 7.97 2og9A1 GLY 293 HA2 0.25 0.18 0.14 -0.51 4.01 4.06 2og9A1 GLY 293 HA3 0.46 0.14 0.88 -0.51 4.01 4.98 2og9A1 GLY 294 H 0.14 0.61 0.15 -0.55 8.43 8.79 2og9A1 GLY 294 HA2 0.06 0.05 0.22 -0.51 4.01 3.83 2og9A1 GLY 294 HA3 0.22 0.14 0.89 -0.51 4.01 4.75 2og9A1 ILE 295 H 0.05 0.16 0.06 -0.55 8.25 7.97 2og9A1 ILE 295 HA -0.16 0.10 0.40 -0.75 4.18 3.76 2og9A1 ILE 295 HB -0.46 -0.01 0.05 -0.04 1.89 1.42 2og9A1 ILE 295 HG12 -0.39 0.06 -0.01 -0.04 1.49 1.12 2og9A1 ILE 295 HG13 -0.19 -0.10 0.03 -0.04 1.21 0.90 2og9A1 ILE 295 HG23 -1.11 0.03 -0.15 -0.04 0.93 -0.33 2og9A1 ILE 295 HD13 -0.20 0.03 0.04 -0.04 0.88 0.70 2og9A1 THR 296 H 0.17 0.08 -0.15 -0.55 8.28 7.84 2og9A1 THR 296 HA 0.12 0.09 0.32 -0.75 4.39 4.17 2og9A1 THR 296 HB -0.15 0.09 0.03 -0.04 4.32 4.24 2og9A1 THR 296 HG23 -0.22 0.00 -0.15 -0.04 1.22 0.81 2og9A1 PRO 297 HA -0.26 0.05 0.49 -0.51 4.44 4.20 2og9A1 PRO 297 HB2 -0.09 0.01 -0.11 -0.04 2.28 2.05 2og9A1 PRO 297 HB3 -0.42 -0.01 0.05 -0.04 2.02 1.60 2og9A1 PRO 297 HG2 0.06 0.12 -0.47 -0.04 2.03 1.70 2og9A1 PRO 297 HG3 0.11 0.16 -0.18 -0.04 2.03 2.09 2og9A1 PRO 297 HD2 -0.03 -0.09 -0.41 -0.04 3.68 3.11 2og9A1 PRO 297 HD3 -0.90 0.11 -0.08 -0.04 3.65 2.74 2og9A1 PHE 298 H 0.08 0.38 -0.47 -0.55 8.34 7.77 2og9A1 PHE 298 HA -0.12 -0.01 0.28 -0.75 4.62 4.01 2og9A1 PHE 298 HB2 -0.05 0.04 0.03 -0.04 3.15 3.12 2og9A1 PHE 298 HB3 -0.12 0.10 0.10 -0.04 3.06 3.10 2og9A1 PHE 298 HD2 -0.04 -0.02 -0.36 -0.04 7.28 6.81 2og9A1 PHE 298 HE2 -0.09 0.14 -0.17 -0.04 7.38 7.23 2og9A1 PHE 298 HZ -0.10 0.12 -0.10 -0.04 7.32 7.20 2og9A1 LEU 299 H 0.04 0.60 -0.18 -0.55 8.37 8.28 2og9A1 LEU 299 HA 0.07 0.09 0.40 -0.75 4.35 4.16 2og9A1 LEU 299 HB2 -0.02 0.07 0.10 -0.04 1.64 1.75 2og9A1 LEU 299 HB3 -0.01 0.01 0.00 -0.04 1.64 1.60 2og9A1 LEU 299 HG -0.18 0.18 0.03 -0.04 1.64 1.63 2og9A1 LEU 299 HD13 -0.33 -0.02 -0.06 -0.04 0.93 0.48 2og9A1 LEU 299 HD23 -0.04 0.01 -0.04 -0.04 0.89 0.78 2og9A1 LYS 300 H -0.08 0.30 -0.29 -0.55 8.42 7.79 2og9A1 LYS 300 HA -0.05 0.06 0.45 -0.75 4.32 4.02 2og9A1 LYS 300 HB2 -0.12 0.10 0.15 -0.04 1.87 1.96 2og9A1 LYS 300 HB3 -0.08 -0.05 0.03 -0.04 1.79 1.64 2og9A1 LYS 300 HG2 -0.06 -0.01 0.02 -0.04 1.46 1.36 2og9A1 LYS 300 HG3 -0.09 0.17 0.08 -0.04 1.46 1.57 2og9A1 LYS 300 HD2 -0.23 -0.05 -0.01 -0.04 1.69 1.36 2og9A1 LYS 300 HD3 -0.12 -0.03 -0.01 -0.04 1.68 1.48 2og9A1 LYS 300 HE2 -0.08 0.00 -0.03 -0.04 2.99 2.84 2og9A1 LYS 300 HE3 -0.15 0.02 -0.09 -0.04 2.99 2.74 2og9A1 ILE 301 H -0.19 0.47 -0.20 -0.55 8.25 7.78 2og9A1 ILE 301 HA -0.15 -0.01 0.40 -0.75 4.18 3.66 2og9A1 ILE 301 HB -0.53 0.17 0.11 -0.04 1.89 1.60 2og9A1 ILE 301 HG12 -0.16 -0.06 0.04 -0.04 1.49 1.26 2og9A1 ILE 301 HG13 -0.18 0.10 0.05 -0.04 1.21 1.14 2og9A1 ILE 301 HG23 -0.56 -0.01 -0.16 -0.04 0.93 0.15 2og9A1 ILE 301 HD13 -0.35 -0.04 -0.25 -0.04 0.88 0.20 2og9A1 ALA 302 H -0.28 0.60 -0.13 -0.55 8.40 8.04 2og9A1 ALA 302 HA -0.14 0.04 0.34 -0.75 4.34 3.83 2og9A1 ALA 302 HB3 0.00 0.04 0.04 -0.04 1.41 1.45 2og9A1 SER 303 H -0.04 0.45 -0.31 -0.55 8.46 8.02 2og9A1 SER 303 HA 0.02 0.07 0.45 -0.75 4.49 4.29 2og9A1 SER 303 HB2 -0.03 0.08 0.12 -0.04 3.95 4.09 2og9A1 SER 303 HB3 -0.01 -0.07 0.03 -0.04 3.93 3.84 2og9A1 LEU 304 H -0.04 0.42 -0.19 -0.55 8.37 8.02 2og9A1 LEU 304 HA 0.02 0.01 0.46 -0.75 4.35 4.09 2og9A1 LEU 304 HB2 -0.04 0.13 0.16 -0.04 1.64 1.84 2og9A1 LEU 304 HB3 -0.01 -0.03 -0.02 -0.04 1.64 1.54 2og9A1 LEU 304 HG -0.04 0.19 0.06 -0.04 1.64 1.81 2og9A1 LEU 304 HD13 -0.02 -0.04 -0.04 -0.04 0.93 0.78 2og9A1 LEU 304 HD23 -0.02 -0.02 -0.01 -0.04 0.89 0.81 2og9A1 ALA 305 H -0.02 0.56 -0.12 -0.55 8.40 8.28 2og9A1 ALA 305 HA 0.01 0.01 0.38 -0.75 4.34 3.98 2og9A1 ALA 305 HB3 -0.02 0.01 -0.01 -0.04 1.41 1.35 2og9A1 GLU 306 H 0.11 0.53 -0.22 -0.55 8.60 8.48 2og9A1 GLU 306 HA -0.01 0.12 0.42 -0.75 4.29 4.07 2og9A1 GLU 306 HB2 -0.01 0.19 0.20 -0.04 2.09 2.43 2og9A1 GLU 306 HB3 -0.00 0.00 0.16 -0.04 1.99 2.11 2og9A1 GLU 306 HG2 -0.45 0.01 0.09 -0.04 2.34 1.95 2og9A1 GLU 306 HG3 -0.20 -0.02 0.05 -0.04 2.34 2.13 2og9A1 HIS 307 H 0.11 0.49 -0.12 -0.55 8.41 8.35 2og9A1 HIS 307 HA -0.03 0.01 0.42 -0.75 4.63 4.27 2og9A1 HIS 307 HB2 -0.02 0.02 0.15 -0.04 3.26 3.38 2og9A1 HIS 307 HB3 -0.02 0.08 0.13 -0.04 3.20 3.35 2og9A1 HIS 307 HD2 -0.01 0.00 -0.08 -0.04 6.97 6.83 2og9A1 HIS 307 HE1 -0.01 -0.05 0.02 -0.04 7.75 7.66 2og9A1 ALA 308 H 0.04 0.38 -0.32 -0.55 8.40 7.95 2og9A1 ALA 308 HA -0.10 0.02 0.50 -0.75 4.34 4.01 2og9A1 ALA 308 HB3 -0.01 -0.02 0.10 -0.04 1.41 1.45 2og9A1 GLY 309 H -0.04 0.36 -0.67 -0.55 8.43 7.53 2og9A1 GLY 309 HA2 -0.05 0.05 0.31 -0.51 4.01 3.80 2og9A1 GLY 309 HA3 -0.06 -0.03 0.45 -0.51 4.01 3.86 2og9A1 LEU 310 H 0.01 0.43 -0.12 -0.55 8.37 8.15 2og9A1 LEU 310 HA -0.06 0.24 0.55 -0.75 4.35 4.33 2og9A1 LEU 310 HB2 -0.01 -0.11 0.02 -0.04 1.64 1.50 2og9A1 LEU 310 HB3 -0.07 0.07 0.01 -0.04 1.64 1.61 2og9A1 LEU 310 HG -0.02 -0.03 -0.14 -0.04 1.64 1.41 2og9A1 LEU 310 HD13 -0.05 -0.05 -0.06 -0.04 0.93 0.73 2og9A1 LEU 310 HD23 -0.05 0.07 -0.06 -0.04 0.89 0.81 2og9A1 LEU 312 HA -0.18 -0.10 0.22 -0.75 4.35 3.54 2og9A1 LEU 312 HB2 -1.33 -0.01 -0.02 -0.04 1.64 0.25 2og9A1 LEU 312 HB3 -0.45 0.05 0.07 -0.04 1.64 1.27 2og9A1 LEU 312 HG -0.17 0.01 -0.12 -0.04 1.64 1.32 2og9A1 LEU 312 HD13 -0.43 -0.01 -0.14 -0.04 0.93 0.31 2og9A1 LEU 312 HD23 -0.30 -0.02 -0.08 -0.04 0.89 0.45 2og9A1 ALA 313 H -0.09 0.52 -0.03 -0.55 8.40 8.25 2og9A1 ALA 313 HA 0.17 0.36 0.81 -0.75 4.34 4.92 2og9A1 ALA 313 HB3 -0.19 -0.04 -0.08 -0.04 1.41 1.06 2og9A1 PRO 314 HA -0.11 0.22 0.52 -0.51 4.44 4.55 2og9A1 PRO 314 HB2 -0.29 -0.06 0.01 -0.04 2.28 1.90 2og9A1 PRO 314 HB3 -0.58 -0.07 0.12 -0.04 2.02 1.45 2og9A1 PRO 314 HG2 0.07 0.00 -0.01 -0.04 2.03 2.06 2og9A1 PRO 314 HG3 0.15 0.01 0.02 -0.04 2.03 2.17 2og9A1 PRO 314 HD2 0.07 0.21 0.10 -0.04 3.68 4.02 2og9A1 PRO 314 HD3 0.01 0.15 -0.22 -0.04 3.65 3.55 2og9A1 HIS 315 H -0.05 0.35 0.17 -0.55 8.41 8.33 2og9A1 HIS 315 HA -0.01 0.15 0.89 -0.75 4.63 4.90 2og9A1 HIS 315 HB2 -0.05 0.09 -0.10 -0.04 3.26 3.16 2og9A1 HIS 315 HB3 0.02 -0.04 -0.02 -0.04 3.20 3.12 2og9A1 HIS 315 HD2 -0.02 0.09 -0.02 -0.04 6.97 6.97 2og9A1 HIS 315 HE1 -0.08 -0.02 -0.06 -0.04 7.75 7.54 2og9A1 PHE 316 H -0.46 0.10 0.12 -0.55 8.34 7.56 2og9A1 PHE 316 HA -0.63 0.00 0.30 -0.75 4.62 3.54 2og9A1 PHE 316 HB2 -0.73 -0.00 -0.12 -0.04 3.15 2.25 2og9A1 PHE 316 HB3 -0.12 0.24 0.05 -0.04 3.06 3.18 2og9A1 PHE 316 HD2 -0.51 0.05 0.00 -0.04 7.28 6.78 2og9A1 PHE 316 HE2 -0.01 0.01 -0.07 -0.04 7.38 7.27 2og9A1 PHE 316 HZ -0.13 0.04 -0.08 -0.04 7.32 7.11 2og9A1 ALA 317 H -2.49 0.07 0.07 -0.55 8.40 5.49 2og9A1 ALA 317 HA -0.52 0.08 0.24 -0.75 4.34 3.39 2og9A1 ALA 317 HB3 -0.13 0.01 -0.04 -0.04 1.41 1.21 2og9A1 GLU 319 HA -0.07 0.07 0.26 -0.75 4.29 3.80 2og9A1 GLU 319 HB2 -0.03 -0.11 -0.17 -0.04 2.09 1.74 2og9A1 GLU 319 HB3 -0.18 0.06 -0.11 -0.04 1.99 1.72 2og9A1 GLU 319 HG2 -0.17 0.03 -0.09 -0.04 2.34 2.07 2og9A1 GLU 319 HG3 -0.08 0.06 -0.01 -0.04 2.34 2.27 2og9A1 LEU 320 H -0.11 0.34 -0.27 -0.55 8.37 7.78 2og9A1 LEU 320 HA -0.03 0.17 0.91 -0.75 4.35 4.64 2og9A1 LEU 320 HB2 -0.22 -0.03 0.02 -0.04 1.64 1.37 2og9A1 LEU 320 HB3 -0.40 0.10 0.16 -0.04 1.64 1.45 2og9A1 LEU 320 HG -0.51 0.02 -0.23 -0.04 1.64 0.87 2og9A1 LEU 320 HD13 -0.23 -0.01 0.05 -0.04 0.93 0.70 2og9A1 LEU 320 HD23 -0.43 -0.03 -0.02 -0.04 0.89 0.37 2og9A1 HIS 321 H -0.25 0.76 0.37 -0.55 8.41 8.74 2og9A1 HIS 321 HA -0.20 -0.04 0.39 -0.75 4.63 4.03 2og9A1 HIS 321 HB2 -0.06 0.12 0.01 -0.04 3.26 3.30 2og9A1 HIS 321 HB3 -0.03 0.05 -0.00 -0.04 3.20 3.17 2og9A1 HIS 321 HD2 -0.48 -0.02 -0.02 -0.04 6.97 6.41 2og9A1 HIS 321 HE1 0.13 -0.02 0.07 -0.04 7.75 7.88 2og9A1 VAL 322 H -0.03 0.15 -0.45 -0.55 8.24 7.36 2og9A1 VAL 322 HA -0.02 0.12 0.27 -0.75 4.13 3.75 2og9A1 VAL 322 HB -0.07 0.01 -0.07 -0.04 2.12 1.95 2og9A1 VAL 322 HG13 -0.32 0.00 -0.14 -0.04 0.97 0.47 2og9A1 VAL 322 HG23 -0.12 0.05 -0.14 -0.04 0.95 0.70 2og9A1 HIS 323 H -0.04 0.25 -0.35 -0.55 8.41 7.73 2og9A1 HIS 323 HA -0.02 0.10 0.44 -0.75 4.63 4.39 2og9A1 HIS 323 HB2 -0.11 0.17 0.12 -0.04 3.26 3.41 2og9A1 HIS 323 HB3 -0.07 -0.09 -0.14 -0.04 3.20 2.86 2og9A1 HIS 323 HD2 -0.07 0.19 0.20 -0.04 6.97 7.24 2og9A1 HIS 323 HE1 -0.01 0.16 -0.01 -0.04 7.75 7.85 2og9A1 LEU 324 H -0.03 0.23 -0.10 -0.55 8.37 7.91 2og9A1 LEU 324 HA -0.04 0.07 0.37 -0.75 4.35 4.00 2og9A1 LEU 324 HB2 -0.21 0.04 0.08 -0.04 1.64 1.50 2og9A1 LEU 324 HB3 -0.29 0.02 -0.05 -0.04 1.64 1.28 2og9A1 LEU 324 HG -0.27 0.08 -0.02 -0.04 1.64 1.39 2og9A1 LEU 324 HD13 -1.01 -0.04 -0.10 -0.04 0.93 -0.26 2og9A1 LEU 324 HD23 -0.32 -0.00 -0.08 -0.04 0.89 0.44 2og9A1 ALA 325 H 0.04 0.74 -0.14 -0.55 8.40 8.49 2og9A1 ALA 325 HA 0.12 0.05 0.36 -0.75 4.34 4.12 2og9A1 ALA 325 HB3 0.07 0.00 -0.04 -0.04 1.41 1.40 2og9A1 ALA 326 H 0.05 0.28 -0.46 -0.55 8.40 7.72 2og9A1 ALA 326 HA 0.08 0.05 0.35 -0.75 4.34 4.06 2og9A1 ALA 326 HB3 0.04 0.04 0.09 -0.04 1.41 1.53 2og9A1 ALA 327 H 0.12 0.24 -0.53 -0.55 8.40 7.68 2og9A1 ALA 327 HA 0.20 0.12 0.69 -0.75 4.34 4.59 2og9A1 ALA 327 HB3 0.09 -0.02 0.04 -0.04 1.41 1.49 2og9A1 TYR 328 H 0.25 0.39 -0.37 -0.55 8.29 8.01 2og9A1 TYR 328 HA 0.03 0.03 0.62 -0.75 4.56 4.49 2og9A1 TYR 328 HB2 0.07 -0.09 0.09 -0.04 3.06 3.08 2og9A1 TYR 328 HB3 0.01 0.20 0.10 -0.04 2.98 3.25 2og9A1 TYR 328 HD2 -0.01 0.16 0.00 -0.04 7.15 7.26 2og9A1 TYR 328 HE2 -0.05 0.11 0.18 -0.04 6.85 7.05 2og9A1 PRO 329 HA -1.80 0.04 0.35 -0.51 4.44 2.53 2og9A1 PRO 329 HB2 -0.53 0.02 0.06 -0.04 2.28 1.79 2og9A1 PRO 329 HB3 -0.53 -0.04 0.07 -0.04 2.02 1.47 2og9A1 PRO 329 HG2 -0.36 -0.03 0.09 -0.04 2.03 1.69 2og9A1 PRO 329 HG3 -0.30 0.05 0.08 -0.04 2.03 1.82 2og9A1 PRO 329 HD2 -1.44 0.08 0.20 -0.04 3.68 2.48 2og9A1 PRO 329 HD3 -0.35 0.18 0.29 -0.04 3.65 3.73 2og9A1 ARG 330 H -0.46 0.10 -0.14 -0.55 8.46 7.41 2og9A1 ARG 330 HA -0.10 0.08 0.84 -0.75 4.34 4.40 2og9A1 ARG 330 HB2 0.10 0.08 -0.02 -0.04 1.90 2.02 2og9A1 ARG 330 HB3 0.05 0.05 -0.09 -0.04 1.80 1.77 2og9A1 ARG 330 HG2 -0.08 -0.05 -0.03 -0.04 1.67 1.47 2og9A1 ARG 330 HG3 -0.18 -0.10 -0.11 -0.04 1.67 1.25 2og9A1 ARG 330 HD2 -0.00 0.03 -0.07 -0.04 3.22 3.14 2og9A1 ARG 330 HD3 -0.05 -0.08 -0.03 -0.04 3.22 3.02 2og9A1 GLU 331 H 0.01 0.02 0.12 -0.55 8.60 8.19 2og9A1 GLU 331 HA 0.01 0.09 0.36 -0.75 4.29 4.00 2og9A1 GLU 331 HB2 0.01 -0.06 0.18 -0.04 2.09 2.18 2og9A1 GLU 331 HB3 -0.09 0.05 0.05 -0.04 1.99 1.96 2og9A1 GLU 331 HG2 -0.02 -0.02 0.11 -0.04 2.34 2.37 2og9A1 GLU 331 HG3 -0.04 -0.06 0.07 -0.04 2.34 2.27 2og9A1 PRO 332 HA 0.24 0.31 0.75 -0.51 4.44 5.23 2og9A1 PRO 332 HB2 0.12 -0.07 0.07 -0.04 2.28 2.35 2og9A1 PRO 332 HB3 0.08 0.03 0.14 -0.04 2.02 2.23 2og9A1 PRO 332 HG2 0.06 -0.16 -0.11 -0.04 2.03 1.78 2og9A1 PRO 332 HG3 0.11 0.18 0.06 -0.04 2.03 2.34 2og9A1 PRO 332 HD2 0.03 -0.09 0.18 -0.04 3.68 3.76 2og9A1 PRO 332 HD3 0.13 0.50 0.20 -0.04 3.65 4.44 2og9A1 TRP 333 H 0.40 0.49 0.36 -0.55 7.97 8.67 2og9A1 TRP 333 HA 0.18 0.25 0.76 -0.75 4.62 5.06 2og9A1 TRP 333 HB2 0.39 -0.02 -0.00 -0.04 3.23 3.56 2og9A1 TRP 333 HB3 0.43 -0.11 -0.21 -0.04 3.23 3.30 2og9A1 TRP 333 HD1 0.32 0.08 -0.20 -0.04 7.22 7.38 2og9A1 TRP 333 HE1 0.11 0.01 -0.10 -0.04 10.20 10.18 2og9A1 TRP 333 HE3 0.26 -0.08 -0.47 -0.04 7.59 7.26 2og9A1 TRP 333 HZ2 -0.06 -0.00 -0.03 -0.04 7.44 7.31 2og9A1 TRP 333 HZ3 0.02 0.13 -0.39 -0.04 7.13 6.84 2og9A1 TRP 333 HH2 -0.07 0.16 0.01 -0.04 7.19 7.25 2og9A1 VAL 334 H 0.38 0.66 0.21 -0.55 8.24 8.95 2og9A1 VAL 334 HA 0.22 0.22 0.79 -0.75 4.13 4.60 2og9A1 VAL 334 HB 0.09 0.06 -0.10 -0.04 2.12 2.12 2og9A1 VAL 334 HG13 0.04 -0.02 -0.28 -0.04 0.97 0.66 2og9A1 VAL 334 HG23 0.10 0.00 -0.33 -0.04 0.95 0.67 2og9A1 GLU 335 H -0.05 0.21 0.05 -0.55 8.60 8.27 2og9A1 GLU 335 HA -0.99 0.18 0.68 -0.75 4.29 3.40 2og9A1 GLU 335 HB2 -0.50 0.06 -0.03 -0.04 2.09 1.57 2og9A1 GLU 335 HB3 -0.23 -0.09 0.10 -0.04 1.99 1.73 2og9A1 GLU 335 HG2 -0.21 -0.10 -0.45 -0.04 2.34 1.54 2og9A1 GLU 335 HG3 -0.41 0.10 -0.08 -0.04 2.34 1.90 2og9A1 HIS 336 H -0.14 0.74 0.34 -0.55 8.41 8.81 2og9A1 HIS 336 HA -0.04 0.16 0.78 -0.75 4.63 4.78 2og9A1 HIS 336 HB2 -0.04 0.09 -0.02 -0.04 3.26 3.25 2og9A1 HIS 336 HB3 -0.05 -0.02 0.10 -0.04 3.20 3.19 2og9A1 HIS 336 HD2 -0.02 0.09 -0.20 -0.04 6.97 6.80 2og9A1 HIS 336 HE1 -0.01 -0.06 -0.13 -0.04 7.75 7.51 2og9A1 PHE 337 H -0.06 0.35 0.07 -0.55 8.34 8.15 2og9A1 PHE 337 HA -0.13 0.11 0.89 -0.75 4.62 4.74 2og9A1 PHE 337 HB2 -0.38 -0.02 0.07 -0.04 3.15 2.78 2og9A1 PHE 337 HB3 -0.31 0.04 -0.29 -0.04 3.06 2.47 2og9A1 PHE 337 HD2 -1.05 0.10 -0.01 -0.04 7.28 6.28 2og9A1 PHE 337 HE2 -1.21 -0.01 -0.03 -0.04 7.38 6.09 2og9A1 PHE 337 HZ 0.45 0.02 -0.04 -0.04 7.32 7.71 2og9A1 GLU 338 H -0.09 0.17 0.12 -0.55 8.60 8.25 2og9A1 GLU 338 HA -0.32 0.16 0.52 -0.75 4.29 3.90 2og9A1 GLU 338 HB2 0.01 0.05 0.12 -0.04 2.09 2.22 2og9A1 GLU 338 HB3 0.02 0.07 0.06 -0.04 1.99 2.10 2og9A1 GLU 338 HG2 0.22 0.01 -0.15 -0.04 2.34 2.38 2og9A1 GLU 338 HG3 0.13 0.07 -0.01 -0.04 2.34 2.48 2og9A1 TRP 339 H -0.64 0.07 -0.19 -0.55 7.97 6.66 2og9A1 TRP 339 HA -0.14 0.08 0.20 -0.75 4.62 4.01 2og9A1 TRP 339 HB2 -0.17 -0.03 -0.01 -0.04 3.23 2.98 2og9A1 TRP 339 HB3 0.01 0.07 -0.04 -0.04 3.23 3.22 2og9A1 TRP 339 HD1 -0.02 -0.09 -0.02 -0.04 7.22 7.05 2og9A1 TRP 339 HE1 0.24 0.01 -0.01 -0.04 10.20 10.40 2og9A1 TRP 339 HE3 0.33 -0.00 -0.09 -0.04 7.59 7.79 2og9A1 TRP 339 HZ2 0.39 0.02 -0.05 -0.04 7.44 7.75 2og9A1 TRP 339 HZ3 0.09 0.00 -0.07 -0.04 7.13 7.11 2og9A1 TRP 339 HH2 0.17 0.01 -0.06 -0.04 7.19 7.27 2og9A1 LEU 340 H -0.37 0.11 -0.19 -0.55 8.37 7.36 2og9A1 LEU 340 HA -0.03 0.17 0.64 -0.75 4.35 4.38 2og9A1 LEU 340 HB2 -0.07 0.07 -0.02 -0.04 1.64 1.58 2og9A1 LEU 340 HB3 -0.03 -0.00 0.05 -0.04 1.64 1.61 2og9A1 LEU 340 HG -0.22 -0.04 -0.01 -0.04 1.64 1.33 2og9A1 LEU 340 HD13 -0.28 -0.00 -0.04 -0.04 0.93 0.57 2og9A1 LEU 340 HD23 0.27 0.00 -0.16 -0.04 0.89 0.96 2og9A1 GLU 341 H -0.08 0.32 -0.18 -0.55 8.60 8.12 2og9A1 GLU 341 HA 0.09 0.02 0.34 -0.75 4.29 3.99 2og9A1 GLU 341 HB2 0.01 0.08 0.11 -0.04 2.09 2.25 2og9A1 GLU 341 HB3 0.03 0.02 0.03 -0.04 1.99 2.03 2og9A1 GLU 341 HG2 -0.03 -0.02 0.09 -0.04 2.34 2.34 2og9A1 GLU 341 HG3 -0.11 -0.01 0.14 -0.04 2.34 2.32 2og9A1 PRO 342 HA 0.04 0.07 0.41 -0.51 4.44 4.46 2og9A1 PRO 342 HB2 0.40 0.03 -0.04 -0.04 2.28 2.63 2og9A1 PRO 342 HB3 0.31 -0.03 0.07 -0.04 2.02 2.34 2og9A1 PRO 342 HG2 0.12 0.08 0.04 -0.04 2.03 2.23 2og9A1 PRO 342 HG3 0.10 -0.01 0.03 -0.04 2.03 2.12 2og9A1 PRO 342 HD2 0.03 0.24 -0.27 -0.04 3.68 3.64 2og9A1 PRO 342 HD3 0.03 0.10 -0.01 -0.04 3.65 3.73 2og9A1 LEU 343 H -0.19 0.56 -0.35 -0.55 8.37 7.85 2og9A1 LEU 343 HA -0.12 -0.03 0.51 -0.75 4.35 3.97 2og9A1 LEU 343 HB2 -1.34 0.14 0.04 -0.04 1.64 0.43 2og9A1 LEU 343 HB3 -0.48 -0.11 0.04 -0.04 1.64 1.05 2og9A1 LEU 343 HG -0.08 0.07 0.03 -0.04 1.64 1.62 2og9A1 LEU 343 HD13 -0.17 -0.02 -0.01 -0.04 0.93 0.69 2og9A1 LEU 343 HD23 0.28 -0.02 -0.09 -0.04 0.89 1.02 2og9A1 PHE 344 H -0.18 0.55 -0.07 -0.55 8.34 8.08 2og9A1 PHE 344 HA -0.03 0.25 1.13 -0.75 4.62 5.21 2og9A1 PHE 344 HB2 -0.01 0.20 0.07 -0.04 3.15 3.36 2og9A1 PHE 344 HB3 -0.00 -0.19 0.18 -0.04 3.06 3.01 2og9A1 PHE 344 HD2 -0.03 0.07 -0.21 -0.04 7.28 7.06 2og9A1 PHE 344 HE2 0.01 -0.04 -0.17 -0.04 7.38 7.13 2og9A1 PHE 344 HZ -0.62 -0.04 -0.15 -0.04 7.32 6.47 2og9A1 ASN 345 H 0.15 0.26 0.24 -0.55 8.53 8.64 2og9A1 ASN 345 HA 0.04 0.14 0.67 -0.75 4.76 4.86 2og9A1 ASN 345 HB2 0.04 -0.03 0.02 -0.04 2.88 2.87 2og9A1 ASN 345 HB3 0.02 -0.00 0.08 -0.04 2.79 2.85 2og9A1 ASN 345 HD21 -0.00 0.18 -0.26 -0.04 7.03 6.91 2og9A1 ASN 345 HD22 0.03 -0.07 -0.20 -0.04 7.74 7.45 2og9A1 GLU 346 H 0.12 -0.04 -0.01 -0.55 8.60 8.13 2og9A1 GLU 346 HA 0.04 0.18 0.84 -0.75 4.29 4.59 2og9A1 GLU 346 HB2 0.01 -0.01 0.11 -0.04 2.09 2.15 2og9A1 GLU 346 HB3 0.01 0.05 0.14 -0.04 1.99 2.15 2og9A1 GLU 346 HG2 0.01 0.22 0.03 -0.04 2.34 2.56 2og9A1 GLU 346 HG3 0.02 -0.00 -0.09 -0.04 2.34 2.24 2og9A1 ARG 347 H 0.02 0.23 0.19 -0.55 8.46 8.35 2og9A1 ARG 347 HA 0.03 0.13 0.84 -0.75 4.34 4.58 2og9A1 ARG 347 HB2 0.03 -0.03 -0.04 -0.04 1.90 1.82 2og9A1 ARG 347 HB3 0.03 0.09 0.01 -0.04 1.80 1.88 2og9A1 ARG 347 HG2 0.04 0.00 -0.64 -0.04 1.67 1.03 2og9A1 ARG 347 HG3 0.03 -0.03 -0.12 -0.04 1.67 1.51 2og9A1 ARG 347 HD2 0.03 -0.03 0.01 -0.04 3.22 3.19 2og9A1 ARG 347 HD3 0.04 0.07 0.10 -0.04 3.22 3.39 2og9A1 ILE 348 H 0.00 0.09 0.13 -0.55 8.25 7.93 2og9A1 ILE 348 HA -0.01 0.17 0.71 -0.75 4.18 4.30 2og9A1 ILE 348 HB -0.01 -0.10 0.03 -0.04 1.89 1.78 2og9A1 ILE 348 HG12 -0.05 -0.12 -0.02 -0.04 1.49 1.26 2og9A1 ILE 348 HG13 -0.07 -0.01 -0.01 -0.04 1.21 1.08 2og9A1 ILE 348 HG23 0.02 0.06 -0.16 -0.04 0.93 0.81 2og9A1 ILE 348 HD13 -0.06 0.04 -0.01 -0.04 0.88 0.82 2og9A1 GLU 349 H 0.01 0.28 0.18 -0.55 8.60 8.53 2og9A1 GLU 349 HA 0.03 0.10 0.89 -0.75 4.29 4.56 2og9A1 GLU 349 HB2 0.01 -0.05 0.00 -0.04 2.09 2.01 2og9A1 GLU 349 HB3 0.00 0.06 0.07 -0.04 1.99 2.08 2og9A1 GLU 349 HG2 0.00 0.11 -0.09 -0.04 2.34 2.33 2og9A1 GLU 349 HG3 0.01 -0.03 0.05 -0.04 2.34 2.32 2og9A1 ILE 350 H 0.00 0.16 0.17 -0.55 8.25 8.03 2og9A1 ILE 350 HA -0.00 0.45 0.93 -0.75 4.18 4.80 2og9A1 ILE 350 HB -0.06 0.03 -0.14 -0.04 1.89 1.68 2og9A1 ILE 350 HG12 -0.07 -0.09 0.02 -0.04 1.49 1.31 2og9A1 ILE 350 HG13 -0.06 0.14 -0.08 -0.04 1.21 1.16 2og9A1 ILE 350 HG23 0.01 -0.02 -0.36 -0.04 0.93 0.52 2og9A1 ILE 350 HD13 -0.29 -0.04 -0.25 -0.04 0.88 0.25 2og9A1 ARG 351 H -0.02 0.81 0.26 -0.55 8.46 8.97 2og9A1 ARG 351 HA -0.02 0.06 0.56 -0.75 4.34 4.19 2og9A1 ARG 351 HB2 -0.01 -0.06 0.08 -0.04 1.90 1.86 2og9A1 ARG 351 HB3 -0.01 0.13 -0.09 -0.04 1.80 1.79 2og9A1 ARG 351 HG2 -0.01 0.07 -0.12 -0.04 1.67 1.57 2og9A1 ARG 351 HG3 -0.01 -0.00 -0.16 -0.04 1.67 1.46 2og9A1 ARG 351 HD2 -0.01 -0.04 -0.07 -0.04 3.22 3.07 2og9A1 ARG 351 HD3 -0.01 -0.01 -0.12 -0.04 3.22 3.05 2og9A1 ASP 352 H -0.01 0.15 0.15 -0.55 8.40 8.14 2og9A1 ASP 352 HA -0.01 0.04 0.35 -0.75 4.63 4.25 2og9A1 ASP 352 HB2 -0.02 0.13 -0.13 -0.04 2.71 2.65 2og9A1 ASP 352 HB3 -0.01 0.01 0.20 -0.04 2.70 2.86 2og9A1 GLY 353 H -0.01 0.33 -0.15 -0.55 8.43 8.05 2og9A1 GLY 353 HA2 0.01 0.05 -0.04 -0.51 4.01 3.52 2og9A1 GLY 353 HA3 -0.00 0.07 0.45 -0.51 4.01 4.02 2og9A1 ARG 354 H -0.02 0.42 -0.35 -0.55 8.46 7.95 2og9A1 ARG 354 HA -0.04 0.22 0.77 -0.75 4.34 4.54 2og9A1 ARG 354 HB2 -0.04 0.02 -0.08 -0.04 1.90 1.76 2og9A1 ARG 354 HB3 -0.05 -0.07 -0.29 -0.04 1.80 1.35 2og9A1 ARG 354 HG2 -0.12 0.02 -0.34 -0.04 1.67 1.19 2og9A1 ARG 354 HG3 -0.06 0.10 -0.48 -0.04 1.67 1.19 2og9A1 ARG 354 HD2 -0.07 0.01 -0.10 -0.04 3.22 3.02 2og9A1 ARG 354 HD3 -0.04 -0.04 -0.14 -0.04 3.22 2.96 2og9A1 LEU 356 HA -0.02 -0.08 0.34 -0.75 4.35 3.84 2og9A1 LEU 356 HB2 -0.01 -0.13 0.07 -0.04 1.64 1.53 2og9A1 LEU 356 HB3 -0.01 0.06 -0.03 -0.04 1.64 1.61 2og9A1 LEU 356 HG -0.01 0.06 -0.01 -0.04 1.64 1.65 2og9A1 LEU 356 HD13 -0.00 -0.03 -0.05 -0.04 0.93 0.80 2og9A1 LEU 356 HD23 -0.01 -0.01 -0.12 -0.04 0.89 0.71 2og9A1 VAL 357 H -0.04 0.52 0.18 -0.55 8.24 8.35 2og9A1 VAL 357 HA -0.16 0.04 0.52 -0.75 4.13 3.77 2og9A1 VAL 357 HB -0.03 0.02 0.09 -0.04 2.12 2.15 2og9A1 VAL 357 HG13 -0.12 0.03 -0.12 -0.04 0.97 0.72 2og9A1 VAL 357 HG23 -0.05 0.01 -0.24 -0.04 0.95 0.63 2og9A1 PRO 358 HA -0.00 -0.01 0.44 -0.51 4.44 4.36 2og9A1 PRO 358 HB2 0.15 0.03 0.02 -0.04 2.28 2.45 2og9A1 PRO 358 HB3 0.04 -0.04 0.12 -0.04 2.02 2.10 2og9A1 PRO 358 HG2 -0.05 0.07 0.10 -0.04 2.03 2.11 2og9A1 PRO 358 HG3 -0.05 0.06 0.11 -0.04 2.03 2.12 2og9A1 PRO 358 HD2 -0.58 -0.02 0.17 -0.04 3.68 3.21 2og9A1 PRO 358 HD3 -0.19 0.33 0.34 -0.04 3.65 4.09 2og9A1 THR 359 H 0.03 0.05 0.19 -0.55 8.28 8.00 2og9A1 THR 359 HA 0.05 0.22 0.92 -0.75 4.39 4.83 2og9A1 THR 359 HB 0.02 -0.02 0.11 -0.04 4.32 4.39 2og9A1 THR 359 HG23 0.01 0.03 -0.03 -0.04 1.22 1.20 2og9A1 ARG 360 H 0.05 -0.03 -0.01 -0.55 8.46 7.92 2og9A1 ARG 360 HA 0.03 0.11 0.43 -0.75 4.34 4.16 2og9A1 ARG 360 HB2 0.03 0.07 -0.03 -0.04 1.90 1.92 2og9A1 ARG 360 HB3 0.02 -0.02 0.08 -0.04 1.80 1.84 2og9A1 ARG 360 HG2 0.03 -0.16 0.13 -0.04 1.67 1.63 2og9A1 ARG 360 HG3 0.05 0.06 -0.01 -0.04 1.67 1.72 2og9A1 ARG 360 HD2 0.02 0.03 0.01 -0.04 3.22 3.24 2og9A1 ARG 360 HD3 0.02 -0.02 0.02 -0.04 3.22 3.20 2og9A1 PRO 361 HA 0.02 0.12 -0.14 -0.51 4.44 3.93 2og9A1 PRO 361 HB2 0.03 -0.06 0.00 -0.04 2.28 2.21 2og9A1 PRO 361 HB3 0.03 0.04 -0.02 -0.04 2.02 2.03 2og9A1 PRO 361 HG2 0.02 0.02 0.03 -0.04 2.03 2.07 2og9A1 PRO 361 HG3 0.02 0.16 -0.10 -0.04 2.03 2.07 2og9A1 PRO 361 HD2 0.02 0.03 0.13 -0.04 3.68 3.83 2og9A1 PRO 361 HD3 0.02 0.15 0.15 -0.04 3.65 3.93 2og9A1 GLY 362 H -0.00 0.71 0.13 -0.55 8.43 8.72 2og9A1 GLY 362 HA2 -0.03 0.04 0.39 -0.51 4.01 3.90 2og9A1 GLY 362 HA3 -0.01 0.02 0.56 -0.51 4.01 4.07 2og9A1 LEU 363 H -0.04 0.10 0.29 -0.55 8.37 8.17 2og9A1 LEU 363 HA -0.34 0.08 0.56 -0.75 4.35 3.89 2og9A1 LEU 363 HB2 -0.02 -0.05 0.18 -0.04 1.64 1.71 2og9A1 LEU 363 HB3 -0.04 0.06 -0.01 -0.04 1.64 1.61 2og9A1 LEU 363 HG -0.03 -0.05 0.14 -0.04 1.64 1.65 2og9A1 LEU 363 HD13 0.03 0.02 0.03 -0.04 0.93 0.97 2og9A1 LEU 363 HD23 -0.13 0.01 0.09 -0.04 0.89 0.82 2og9A1 GLY 364 H -0.02 0.12 -0.13 -0.55 8.43 7.86 2og9A1 GLY 364 HA2 0.01 0.07 0.14 -0.51 4.01 3.72 2og9A1 GLY 364 HA3 0.04 0.10 0.38 -0.51 4.01 4.02 2og9A1 LEU 365 H -0.02 0.06 -0.03 -0.55 8.37 7.83 2og9A1 LEU 365 HA -0.06 0.17 0.94 -0.75 4.35 4.64 2og9A1 LEU 365 HB2 -0.12 -0.06 -0.09 -0.04 1.64 1.32 2og9A1 LEU 365 HB3 -0.44 -0.00 -0.12 -0.04 1.64 1.04 2og9A1 LEU 365 HG -0.17 0.13 -0.54 -0.04 1.64 1.01 2og9A1 LEU 365 HD13 -0.52 -0.02 -0.20 -0.04 0.93 0.16 2og9A1 LEU 365 HD23 -0.54 0.04 -0.13 -0.04 0.89 0.22 2og9A1 THR 366 H 0.08 0.19 0.21 -0.55 8.28 8.21 2og9A1 THR 366 HA 0.06 0.14 0.73 -0.75 4.39 4.57 2og9A1 THR 366 HB 0.03 0.07 0.02 -0.04 4.32 4.39 2og9A1 THR 366 HG23 0.03 0.01 -0.21 -0.04 1.22 1.01 2og9A1 LEU 367 H 0.01 0.11 0.11 -0.55 8.37 8.05 2og9A1 LEU 367 HA -0.04 0.26 0.64 -0.75 4.35 4.45 2og9A1 LEU 367 HB2 -0.10 -0.03 0.10 -0.04 1.64 1.57 2og9A1 LEU 367 HB3 -0.24 0.06 0.06 -0.04 1.64 1.48 2og9A1 LEU 367 HG -0.12 -0.06 0.04 -0.04 1.64 1.45 2og9A1 LEU 367 HD13 -0.23 -0.00 -0.04 -0.04 0.93 0.61 2og9A1 LEU 367 HD23 -0.88 0.01 -0.05 -0.04 0.89 -0.07 2og9A1 SER 368 H -0.12 0.67 0.23 -0.55 8.46 8.69 2og9A1 SER 368 HA -0.05 0.10 0.40 -0.75 4.49 4.19 2og9A1 SER 368 HB2 -0.09 -0.08 0.06 -0.04 3.95 3.80 2og9A1 SER 368 HB3 -0.06 0.14 -0.38 -0.04 3.93 3.59 2og9A1 GLY 369 H -0.10 0.20 0.14 -0.55 8.43 8.13 2og9A1 GLY 369 HA2 -0.10 0.11 0.44 -0.51 4.01 3.95 2og9A1 GLY 369 HA3 -0.11 0.06 0.33 -0.51 4.01 3.79 2og9A1 GLN 370 H -0.24 0.13 -0.26 -0.55 8.47 7.55 2og9A1 GLN 370 HA -0.51 0.07 0.42 -0.75 4.36 3.58 2og9A1 GLN 370 HB2 -0.44 0.15 0.06 -0.04 2.15 1.88 2og9A1 GLN 370 HB3 -1.47 0.04 -0.10 -0.04 2.02 0.45 2og9A1 GLN 370 HG2 -0.34 -0.07 0.00 -0.04 2.40 1.95 2og9A1 GLN 370 HG3 -0.35 0.07 0.02 -0.04 2.39 2.09 2og9A1 GLN 370 HE21 -0.08 0.00 -0.01 -0.04 6.97 6.84 2og9A1 GLN 370 HE22 -0.12 0.02 -0.00 -0.04 7.69 7.55 2og9A1 VAL 371 H -0.22 0.29 -0.39 -0.55 8.24 7.38 2og9A1 VAL 371 HA 0.07 0.05 0.27 -0.75 4.13 3.76 2og9A1 VAL 371 HB -0.13 0.12 0.03 -0.04 2.12 2.10 2og9A1 VAL 371 HG13 -0.03 -0.01 -0.17 -0.04 0.97 0.71 2og9A1 VAL 371 HG23 -0.17 -0.02 0.09 -0.04 0.95 0.82 2og9A1 LYS 372 H -0.12 0.24 -0.30 -0.55 8.42 7.69 2og9A1 LYS 372 HA -0.00 0.02 0.33 -0.75 4.32 3.92 2og9A1 LYS 372 HB2 -0.04 -0.02 0.07 -0.04 1.87 1.84 2og9A1 LYS 372 HB3 -0.09 0.13 0.11 -0.04 1.79 1.90 2og9A1 LYS 372 HG2 -0.04 -0.02 -0.04 -0.04 1.46 1.33 2og9A1 LYS 372 HG3 -0.03 0.04 -0.29 -0.04 1.46 1.15 2og9A1 LYS 372 HD2 0.00 -0.02 -0.01 -0.04 1.69 1.62 2og9A1 LYS 372 HD3 0.00 -0.01 -0.04 -0.04 1.68 1.59 2og9A1 LYS 372 HE2 0.02 0.05 0.02 -0.04 2.99 3.04 2og9A1 LYS 372 HE3 0.02 -0.03 0.06 -0.04 2.99 3.01 2og9A1 ALA 373 H -0.21 0.19 -0.20 -0.55 8.40 7.63 2og9A1 ALA 373 HA -0.04 0.04 0.38 -0.75 4.34 3.96 2og9A1 ALA 373 HB3 -0.28 0.01 0.09 -0.04 1.41 1.20 2og9A1 TRP 374 H 0.03 0.32 -0.45 -0.55 7.97 7.33 2og9A1 TRP 374 HA 0.04 0.17 0.84 -0.75 4.62 4.91 2og9A1 TRP 374 HB2 0.04 -0.01 0.00 -0.04 3.23 3.22 2og9A1 TRP 374 HB3 0.07 0.02 0.11 -0.04 3.23 3.39 2og9A1 TRP 374 HD1 0.01 0.07 -0.15 -0.04 7.22 7.11 2og9A1 TRP 374 HE1 -0.01 -0.05 -0.02 -0.04 10.20 10.08 2og9A1 TRP 374 HE3 -0.01 -0.06 -0.21 -0.04 7.59 7.27 2og9A1 TRP 374 HZ2 -0.02 -0.03 -0.00 -0.04 7.44 7.35 2og9A1 TRP 374 HZ3 -0.06 -0.05 -0.24 -0.04 7.13 6.74 2og9A1 TRP 374 HH2 -0.04 -0.02 -0.03 -0.04 7.19 7.07 2og9A1 THR 375 H 0.15 0.45 -0.19 -0.55 8.28 8.13 2og9A1 THR 375 HA 0.18 0.04 0.74 -0.75 4.39 4.60 2og9A1 THR 375 HB 0.08 0.11 0.17 -0.04 4.32 4.63 2og9A1 THR 375 HG23 0.07 -0.07 -0.15 -0.04 1.22 1.03 2og9A1 ARG 376 H 0.15 0.49 0.47 -0.55 8.46 9.02 2og9A1 ARG 376 HA 0.02 0.21 0.86 -0.75 4.34 4.68 2og9A1 ARG 376 HB2 0.10 -0.04 0.12 -0.04 1.90 2.03 2og9A1 ARG 376 HB3 -0.07 -0.06 0.10 -0.04 1.80 1.74 2og9A1 ARG 376 HG2 -0.03 0.05 -0.07 -0.04 1.67 1.59 2og9A1 ARG 376 HG3 0.12 0.14 -0.03 -0.04 1.67 1.86 2og9A1 ARG 376 HD2 -1.04 -0.08 -0.00 -0.04 3.22 2.06 2og9A1 ARG 376 HD3 -0.33 -0.04 0.00 -0.04 3.22 2.81 2og9A1 GLU 377 H -0.08 0.27 0.27 -0.55 8.60 8.52 2og9A1 GLU 377 HA -0.16 0.19 0.75 -0.75 4.29 4.32 2og9A1 GLU 377 HB2 -0.88 -0.10 0.04 -0.04 2.09 1.11 2og9A1 GLU 377 HB3 -1.31 0.02 0.01 -0.04 1.99 0.67 2og9A1 GLU 377 HG2 -0.16 0.15 0.04 -0.04 2.34 2.33 2og9A1 GLU 377 HG3 -0.16 -0.06 -0.36 -0.04 2.34 1.72 2og9A1 GLU 378 H -0.01 0.33 0.22 -0.55 8.60 8.60 2og9A1 GLU 378 HA 0.29 0.20 0.64 -0.75 4.29 4.66 2og9A1 GLU 378 HB2 0.14 0.08 0.17 -0.04 2.09 2.44 2og9A1 GLU 378 HB3 0.08 0.04 -0.02 -0.04 1.99 2.05 2og9A1 GLU 378 HG2 0.06 -0.03 -0.16 -0.04 2.34 2.16 2og9A1 GLU 378 HG3 0.10 -0.00 -0.19 -0.04 2.34 2.21 2og9A1 ALA 379 H 0.23 0.66 0.43 -0.55 8.40 9.17 2og9A1 ALA 379 HA 0.13 0.10 0.66 -0.75 4.34 4.47 2og9A1 ALA 379 HB3 0.10 0.02 -0.01 -0.04 1.41 1.48 2og9A1 GLN 380 H 0.04 0.30 0.28 -0.55 8.47 8.54 2og9A1 GLN 380 HA -0.18 0.25 0.92 -0.75 4.36 4.60 2og9A1 GLN 380 HB2 -0.09 0.06 0.09 -0.04 2.15 2.17 2og9A1 GLN 380 HB3 -0.06 -0.01 0.05 -0.04 2.02 1.96 2og9A1 GLN 380 HG2 0.12 -0.10 -0.08 -0.04 2.40 2.30 2og9A1 GLN 380 HG3 0.15 0.03 -0.05 -0.04 2.39 2.48 2og9A1 GLN 380 HE21 0.25 -0.00 -0.07 -0.04 6.97 7.11 2og9A1 GLN 380 HE22 0.18 -0.02 -0.11 -0.04 7.69 7.69 2og9A1 VAL 381 H -0.27 0.58 0.40 -0.55 8.24 8.39 2og9A1 VAL 381 HA 0.01 0.13 0.84 -0.75 4.13 4.36 2og9A1 VAL 381 HB -0.06 0.06 -0.09 -0.04 2.12 2.00 2og9A1 VAL 381 HG13 -0.13 -0.01 -0.16 -0.04 0.97 0.63 2og9A1 VAL 381 HG23 -0.03 0.00 0.00 -0.04 0.95 0.88 2og9A1 GLY 382 H 0.06 0.09 0.17 -0.55 8.43 8.20 2og9A1 GLY 382 HA2 0.09 -0.01 0.40 -0.51 4.01 3.98 2og9A1 GLY 382 HA3 0.14 0.33 0.76 -0.51 4.01 4.72 2og9A1 THR 383 H 0.15 0.36 0.23 -0.55 8.28 8.47 2og9A1 THR 383 HA 0.13 0.12 0.93 -0.75 4.39 4.82 2og9A1 THR 383 HB 0.05 -0.01 0.09 -0.04 4.32 4.42 2og9A1 THR 383 HG23 0.01 0.05 -0.09 -0.04 1.22 1.14 2og9A1 ARG 384 H -0.14 0.12 0.04 -0.55 8.46 7.92 2og9A1 ARG 384 HA -0.30 0.05 0.29 -0.75 4.34 3.62 2og9A1 ARG 384 HB2 -1.19 -0.00 0.04 -0.04 1.90 0.70 2og9A1 ARG 384 HB3 -0.46 0.01 0.02 -0.04 1.80 1.32 2og9A1 ARG 384 HG2 -0.54 -0.02 -0.14 -0.04 1.67 0.93 2og9A1 ARG 384 HG3 -1.22 -0.01 -0.05 -0.04 1.67 0.35 2og9A1 ARG 384 HD2 -1.86 -0.01 -0.08 -0.04 3.22 1.24 2og9A1 ARG 384 HD3 -0.64 0.00 -0.07 -0.04 3.22 2.48 2og9A1 PRO 385 HA -0.05 0.12 0.23 -0.51 4.44 4.24 2og9A1 PRO 385 HB2 -0.04 0.04 0.07 -0.04 2.28 2.31 2og9A1 PRO 385 HB3 -0.01 0.05 0.03 -0.04 2.02 2.04 2og9A1 PRO 385 HG2 -0.09 0.03 0.01 -0.04 2.03 1.93 2og9A1 PRO 385 HG3 0.01 0.05 0.02 -0.04 2.03 2.07 2og9A1 PRO 385 HD2 -0.18 0.03 0.08 -0.04 3.68 3.57 2og9A1 PRO 385 HD3 0.04 0.11 -0.00 -0.04 3.65 3.76