============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. PHE 3 1.000 16.187 37.883 23.232 -99.200 -91.000 PHE 9 1.000 8.838 32.718 21.987 -99.200 -91.000 TRP 11 1.040 6.635 38.839 21.337 -99.200 -91.000 TRP6 11 1.020 7.455 37.695 19.465 -99.200 -91.000 HIS 13 0.900 -1.382 39.459 24.267 -99.200 -91.000 PHE 32 1.000 24.583 18.087 33.786 -99.200 -91.000 TRP 41 1.040 14.658 38.994 27.289 -99.200 -91.000 TRP6 41 1.020 16.991 38.938 27.643 -99.200 -91.000 PHE 61 1.000 9.567 29.672 34.187 -99.200 -91.000 TRP 66 1.040 1.584 39.384 29.262 -99.200 -91.000 TRP6 66 1.020 3.790 40.199 29.415 -99.200 -91.000 HIS 68 0.900 -5.269 37.333 24.841 -99.200 -91.000 TYR 85 0.840 6.212 33.929 37.273 -99.200 -91.000 PHE 100 1.000 -2.818 29.328 42.076 -99.200 -91.000 HIS 103 0.900 -1.970 20.521 36.513 -99.200 -91.000 PHE 112 1.000 -3.180 33.826 31.142 -99.200 -91.000 PHE 130 1.000 -6.614 20.544 37.213 -99.200 -91.000 TRP 132 1.040 -5.510 27.518 36.573 -99.200 -91.000 TRP6 132 1.020 -4.938 26.483 38.610 -99.200 -91.000 TYR 144 0.840 -9.581 29.024 41.961 -99.200 -91.000 TRP 164 1.040 -10.086 28.894 25.760 -99.200 -91.000 TRP6 164 1.020 -8.449 28.661 27.413 -99.200 -91.000 HIS 170 0.900 -19.911 27.424 24.480 -99.200 -91.000 PHE 172 1.000 -10.372 23.584 26.579 -99.200 -91.000 PHE 180 1.000 -8.463 8.770 18.896 -99.200 -91.000 TRP 184 1.040 -11.304 19.370 25.533 -99.200 -91.000 TRP6 184 1.020 -11.967 17.758 27.110 -99.200 -91.000 HIS 194 0.900 -11.942 10.944 20.608 -99.200 -91.000 TYR 197 0.840 -4.827 12.951 7.594 -99.200 -91.000 TRP 213 1.040 -9.655 26.082 18.394 -99.200 -91.000 TRP6 213 1.020 -11.953 25.631 18.064 -99.200 -91.000 HIS 214 0.900 -10.287 31.313 10.586 -99.200 -91.000 TRP 236 1.040 -8.792 18.290 11.583 -99.200 -91.000 TRP6 236 1.020 -9.775 16.149 11.368 -99.200 -91.000 HIS 252 0.900 7.839 21.981 9.430 -99.200 -91.000 TRP 261 1.040 -4.926 30.498 11.264 -99.200 -91.000 TRP6 261 1.020 -6.276 28.593 10.910 -99.200 -91.000 HIS 263 0.900 -6.903 37.853 16.535 -99.200 -91.000 HIS 267 0.900 -6.706 34.434 3.881 -99.200 -91.000 TRP 281 1.040 2.961 25.695 6.544 -99.200 -91.000 TRP6 281 1.020 3.167 23.889 5.064 -99.200 -91.000 PHE 292 1.000 10.101 33.200 7.804 -99.200 -91.000 TRP 298 1.040 13.234 19.846 19.790 -99.200 -91.000 TRP6 298 1.020 12.887 17.509 19.696 -99.200 -91.000 PHE 300 1.000 11.694 25.421 23.206 -99.200 -91.000 PHE 304 1.000 2.443 34.960 12.546 -99.200 -91.000 PHE 312 1.000 9.257 34.340 12.470 -99.200 -91.000 PHE 317 1.000 13.975 21.732 24.050 -99.200 -91.000 PHE 343 1.000 3.879 27.392 -4.755 -99.200 -91.000 HIS 344 0.900 5.213 37.755 -2.563 -99.200 -91.000 TRP 350 1.040 0.004 43.376 8.871 -99.200 -91.000 TRP6 350 1.020 0.066 41.048 9.274 -99.200 -91.000 TYR 351 0.840 2.290 45.324 4.764 -99.200 -91.000 HIS 359 0.900 -1.784 61.206 -3.286 -99.200 -91.000 TRP 360 1.040 -5.766 68.386 -1.140 -99.200 -91.000 TRP6 360 1.020 -7.900 69.278 -1.655 -99.200 -91.000 PHE 362 1.000 -2.643 72.334 -13.562 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2pm9A1 ALA 5 HA -0.17 -0.03 0.14 -0.75 4.34 3.52 2pm9A1 ALA 5 HB3 -0.19 -0.02 -0.02 -0.04 1.41 1.13 2pm9A1 GLU 6 H -0.47 0.35 0.14 -0.55 8.60 8.07 2pm9A1 GLU 6 HA -0.88 0.12 0.59 -0.75 4.29 3.37 2pm9A1 GLU 6 HB2 -0.28 0.12 -0.10 -0.04 2.09 1.79 2pm9A1 GLU 6 HB3 -0.23 -0.04 -0.07 -0.04 1.99 1.61 2pm9A1 GLU 6 HG2 -0.14 -0.05 -0.09 -0.04 2.34 2.03 2pm9A1 GLU 6 HG3 -0.21 0.09 -0.09 -0.04 2.34 2.08 2pm9A1 PHE 7 H -0.39 0.23 0.07 -0.55 8.34 7.70 2pm9A1 PHE 7 HA -0.18 0.20 0.67 -0.75 4.62 4.56 2pm9A1 PHE 7 HB2 -0.89 -0.44 0.19 -0.04 3.15 1.97 2pm9A1 PHE 7 HB3 -0.52 0.22 0.06 -0.04 3.06 2.79 2pm9A1 PHE 7 HD2 -0.49 0.12 -0.12 -0.04 7.28 6.76 2pm9A1 PHE 7 HE2 -0.38 -0.05 -0.23 -0.04 7.38 6.69 2pm9A1 PHE 7 HZ -0.48 -0.06 -0.28 -0.04 7.32 6.46 2pm9A1 SER 8 H -0.12 0.08 0.09 -0.55 8.46 7.96 2pm9A1 SER 8 HA 0.05 0.02 0.39 -0.75 4.49 4.19 2pm9A1 SER 8 HB2 0.17 0.00 0.11 -0.04 3.95 4.19 2pm9A1 SER 8 HB3 0.03 -0.01 0.03 -0.04 3.93 3.93 2pm9A1 ARG 9 H 0.03 0.00 0.12 -0.55 8.46 8.06 2pm9A1 ARG 9 HA 0.02 0.08 0.38 -0.75 4.34 4.06 2pm9A1 ARG 9 HB2 0.03 -0.10 0.13 -0.04 1.90 1.92 2pm9A1 ARG 9 HB3 0.03 -0.10 0.31 -0.04 1.80 2.00 2pm9A1 ARG 9 HG2 0.02 -0.02 -0.16 -0.04 1.67 1.48 2pm9A1 ARG 9 HG3 0.02 -0.07 0.04 -0.04 1.67 1.62 2pm9A1 ARG 9 HD2 0.02 -0.09 0.06 -0.04 3.22 3.17 2pm9A1 ARG 9 HD3 0.02 0.12 0.12 -0.04 3.22 3.44 2pm9A1 THR 10 H 0.04 0.34 0.22 -0.55 8.28 8.34 2pm9A1 THR 10 HA 0.05 0.02 0.33 -0.75 4.39 4.04 2pm9A1 THR 10 HB 0.02 -0.07 0.02 -0.04 4.32 4.25 2pm9A1 THR 10 HG23 -0.02 -0.05 -0.21 -0.04 1.22 0.90 2pm9A1 ALA 11 H 0.15 0.18 0.08 -0.55 8.40 8.26 2pm9A1 ALA 11 HA 0.09 -0.26 0.46 -0.75 4.34 3.88 2pm9A1 ALA 11 HB3 0.03 0.15 -0.09 -0.04 1.41 1.46 2pm9A1 THR 12 H 0.08 0.41 -0.06 -0.55 8.28 8.17 2pm9A1 THR 12 HA -0.20 0.09 1.04 -0.75 4.39 4.57 2pm9A1 THR 12 HB 0.38 -0.05 -0.12 -0.04 4.32 4.50 2pm9A1 THR 12 HG23 0.12 0.00 -0.23 -0.04 1.22 1.07 2pm9A1 PHE 13 H -0.07 0.08 -0.02 -0.55 8.34 7.77 2pm9A1 PHE 13 HA -0.12 0.43 0.53 -0.75 4.62 4.71 2pm9A1 PHE 13 HB2 -0.29 -0.12 -0.07 -0.04 3.15 2.62 2pm9A1 PHE 13 HB3 -0.25 0.01 -0.10 -0.04 3.06 2.67 2pm9A1 PHE 13 HD2 -0.30 -0.02 -0.24 -0.04 7.28 6.68 2pm9A1 PHE 13 HE2 -0.11 -0.06 -0.20 -0.04 7.38 6.96 2pm9A1 PHE 13 HZ -0.03 -0.03 -0.24 -0.04 7.32 6.98 2pm9A1 ALA 14 H 0.20 0.07 0.13 -0.55 8.40 8.26 2pm9A1 ALA 14 HA 0.14 0.10 0.56 -0.75 4.34 4.38 2pm9A1 ALA 14 HB3 0.18 0.03 -0.12 -0.04 1.41 1.46 2pm9A1 TRP 15 H 0.45 0.17 0.17 -0.55 7.97 8.21 2pm9A1 TRP 15 HA 0.10 0.19 0.86 -0.75 4.62 5.01 2pm9A1 TRP 15 HB2 0.13 0.00 0.12 -0.04 3.23 3.44 2pm9A1 TRP 15 HB3 -0.10 0.10 0.06 -0.04 3.23 3.26 2pm9A1 TRP 15 HD1 -0.08 -0.06 0.14 -0.04 7.22 7.17 2pm9A1 TRP 15 HE1 -0.03 0.00 -0.28 -0.04 10.20 9.85 2pm9A1 TRP 15 HE3 0.15 0.02 -0.33 -0.04 7.59 7.39 2pm9A1 TRP 15 HZ2 -0.10 0.07 -0.23 -0.04 7.44 7.13 2pm9A1 TRP 15 HZ3 -0.03 0.10 0.11 -0.04 7.13 7.27 2pm9A1 TRP 15 HH2 -0.19 0.04 -0.79 -0.04 7.19 6.22 2pm9A1 SER 16 H 0.16 0.21 0.29 -0.55 8.46 8.57 2pm9A1 SER 16 HA -1.51 0.13 0.48 -0.75 4.49 2.84 2pm9A1 SER 16 HB2 -0.84 -0.34 0.34 -0.04 3.95 3.07 2pm9A1 SER 16 HB3 -1.52 0.07 0.17 -0.04 3.93 2.61 2pm9A1 HIS 17 H -0.52 0.02 0.20 -0.55 8.41 7.56 2pm9A1 HIS 17 HA -0.24 0.12 0.47 -0.75 4.63 4.24 2pm9A1 HIS 17 HB2 -0.28 -0.09 -0.01 -0.04 3.26 2.83 2pm9A1 HIS 17 HB3 -0.21 0.03 0.13 -0.04 3.20 3.11 2pm9A1 HIS 17 HD2 -0.16 -0.12 -0.06 -0.04 6.97 6.59 2pm9A1 HIS 17 HE1 -0.09 -0.04 0.06 -0.04 7.75 7.64 2pm9A1 ASP 18 H -0.23 0.03 0.14 -0.55 8.40 7.80 2pm9A1 ASP 18 HA -0.09 0.23 0.79 -0.75 4.63 4.81 2pm9A1 ASP 18 HB2 -0.08 -0.04 -0.03 -0.04 2.71 2.53 2pm9A1 ASP 18 HB3 -0.07 0.09 0.11 -0.04 2.70 2.79 2pm9A1 LYS 19 H -0.07 0.20 0.09 -0.55 8.42 8.08 2pm9A1 LYS 19 HA -0.12 0.12 0.28 -0.75 4.32 3.84 2pm9A1 LYS 19 HB2 -0.05 -0.01 -0.01 -0.04 1.87 1.76 2pm9A1 LYS 19 HB3 -0.08 0.07 0.12 -0.04 1.79 1.86 2pm9A1 LYS 19 HG2 -0.07 -0.10 0.12 -0.04 1.46 1.36 2pm9A1 LYS 19 HG3 -0.06 0.01 0.06 -0.04 1.46 1.44 2pm9A1 LYS 19 HD2 -0.09 0.03 0.07 -0.04 1.69 1.66 2pm9A1 LYS 19 HD3 -0.11 0.07 0.02 -0.04 1.68 1.62 2pm9A1 LYS 19 HE2 -0.08 -0.00 0.02 -0.04 2.99 2.89 2pm9A1 LYS 19 HE3 -0.06 -0.03 0.04 -0.04 2.99 2.90 2pm9A1 ILE 20 H -0.06 -0.04 -0.72 -0.55 8.25 6.88 2pm9A1 ILE 20 HA -0.01 0.19 0.67 -0.75 4.18 4.27 2pm9A1 ILE 20 HB -0.00 0.05 0.02 -0.04 1.89 1.93 2pm9A1 ILE 20 HG12 0.02 0.00 -0.02 -0.04 1.49 1.45 2pm9A1 ILE 20 HG13 0.01 -0.07 0.02 -0.04 1.21 1.13 2pm9A1 ILE 20 HG23 -0.02 -0.03 -0.02 -0.04 0.93 0.82 2pm9A1 ILE 20 HD13 0.05 0.03 -0.10 -0.04 0.88 0.82 2pm9A1 PRO 21 HA -0.01 -0.08 0.43 -0.51 4.44 4.27 2pm9A1 PRO 21 HB2 0.19 0.01 0.01 -0.04 2.28 2.46 2pm9A1 PRO 21 HB3 -0.07 -0.02 -0.01 -0.04 2.02 1.88 2pm9A1 PRO 21 HG2 -0.15 0.06 0.02 -0.04 2.03 1.92 2pm9A1 PRO 21 HG3 -0.24 -0.01 -0.08 -0.04 2.03 1.66 2pm9A1 PRO 21 HD2 -0.00 0.05 0.12 -0.04 3.68 3.80 2pm9A1 PRO 21 HD3 -0.07 0.72 -0.43 -0.04 3.65 3.83 2pm9A1 LEU 22 H 0.12 0.02 0.32 -0.55 8.37 8.29 2pm9A1 LEU 22 HA 0.17 0.36 1.05 -0.75 4.35 5.17 2pm9A1 LEU 22 HB2 -0.06 -0.14 0.20 -0.04 1.64 1.59 2pm9A1 LEU 22 HB3 0.17 0.02 0.07 -0.04 1.64 1.86 2pm9A1 LEU 22 HG 0.04 0.26 -0.18 -0.04 1.64 1.72 2pm9A1 LEU 22 HD13 0.02 -0.05 0.05 -0.04 0.93 0.91 2pm9A1 LEU 22 HD23 0.09 0.01 0.01 -0.04 0.89 0.96 2pm9A1 LEU 23 H 0.22 0.44 0.29 -0.55 8.37 8.77 2pm9A1 LEU 23 HA 0.00 0.30 1.04 -0.75 4.35 4.93 2pm9A1 LEU 23 HB2 -0.10 0.04 -0.19 -0.04 1.64 1.35 2pm9A1 LEU 23 HB3 0.07 -0.03 -0.16 -0.04 1.64 1.48 2pm9A1 LEU 23 HG -0.16 -0.05 -0.25 -0.04 1.64 1.13 2pm9A1 LEU 23 HD13 -0.91 0.06 -0.21 -0.04 0.93 -0.17 2pm9A1 LEU 23 HD23 -0.55 0.02 -0.26 -0.04 0.89 0.05 2pm9A1 VAL 24 H 0.14 0.22 0.11 -0.55 8.24 8.16 2pm9A1 VAL 24 HA 0.11 0.28 0.85 -0.75 4.13 4.62 2pm9A1 VAL 24 HB 0.12 -0.03 0.10 -0.04 2.12 2.27 2pm9A1 VAL 24 HG13 -0.07 -0.00 -0.21 -0.04 0.97 0.65 2pm9A1 VAL 24 HG23 0.36 0.03 -0.24 -0.04 0.95 1.06 2pm9A1 SER 25 H 0.22 0.67 -0.09 -0.55 8.46 8.71 2pm9A1 SER 25 HA 0.01 0.18 0.75 -0.75 4.49 4.67 2pm9A1 SER 25 HB2 -0.03 0.08 -0.16 -0.04 3.95 3.80 2pm9A1 SER 25 HB3 -0.13 -0.05 -0.22 -0.04 3.93 3.49 2pm9A1 GLY 26 H -0.18 0.40 -0.13 -0.55 8.43 7.97 2pm9A1 GLY 26 HA2 -0.23 -0.11 0.66 -0.51 4.01 3.82 2pm9A1 GLY 26 HA3 -0.94 0.13 0.23 -0.51 4.01 2.92 2pm9A1 THR 27 H 0.34 0.03 0.18 -0.55 8.28 8.27 2pm9A1 THR 27 HA 0.11 0.24 0.66 -0.75 4.39 4.65 2pm9A1 THR 27 HB 0.17 -0.03 0.15 -0.04 4.32 4.57 2pm9A1 THR 27 HG23 0.07 0.15 -0.04 -0.04 1.22 1.36 2pm9A1 VAL 28 H 0.08 0.14 -0.04 -0.55 8.24 7.87 2pm9A1 VAL 28 HA 0.14 0.32 0.52 -0.75 4.13 4.36 2pm9A1 VAL 28 HB 0.03 -0.09 -0.08 -0.04 2.12 1.94 2pm9A1 VAL 28 HG13 -0.22 -0.06 -0.20 -0.04 0.97 0.46 2pm9A1 VAL 28 HG23 -0.26 -0.07 0.04 -0.04 0.95 0.61 2pm9A1 SER 29 H 0.04 0.17 0.16 -0.55 8.46 8.28 2pm9A1 SER 29 HA 0.04 0.23 0.91 -0.75 4.49 4.92 2pm9A1 SER 29 HB2 0.03 -0.03 0.14 -0.04 3.95 4.05 2pm9A1 SER 29 HB3 0.03 -0.02 -0.27 -0.04 3.93 3.63 2pm9A1 GLY 30 H 0.11 -0.09 -0.06 -0.55 8.43 7.84 2pm9A1 GLY 30 HA2 0.06 0.25 0.95 -0.51 4.01 4.76 2pm9A1 GLY 30 HA3 0.52 -0.05 0.31 -0.51 4.01 4.28 2pm9A1 THR 31 H 0.19 -0.11 0.04 -0.55 8.28 7.86 2pm9A1 THR 31 HA -0.03 0.17 0.52 -0.75 4.39 4.30 2pm9A1 THR 31 HB 0.04 -0.07 0.01 -0.04 4.32 4.26 2pm9A1 THR 31 HG23 -0.03 0.02 0.12 -0.04 1.22 1.29 2pm9A1 VAL 32 H -0.09 0.40 0.22 -0.55 8.24 8.22 2pm9A1 VAL 32 HA -0.10 0.05 0.49 -0.75 4.13 3.82 2pm9A1 VAL 32 HB -0.31 0.01 -0.03 -0.04 2.12 1.75 2pm9A1 VAL 32 HG13 -0.99 0.02 -0.09 -0.04 0.97 -0.13 2pm9A1 VAL 32 HG23 -0.06 0.08 -0.11 -0.04 0.95 0.82 2pm9A1 ASP 33 H -0.11 0.04 0.14 -0.55 8.40 7.92 2pm9A1 ASP 33 HA -0.06 0.19 0.38 -0.75 4.63 4.38 2pm9A1 ASP 33 HB2 -0.04 -0.12 0.11 -0.04 2.71 2.62 2pm9A1 ASP 33 HB3 -0.02 -0.12 0.27 -0.04 2.70 2.79 2pm9A1 ALA 34 H -0.03 0.09 0.23 -0.55 8.40 8.14 2pm9A1 ALA 34 HA -0.07 0.25 0.76 -0.75 4.34 4.53 2pm9A1 ALA 34 HB3 -0.01 0.02 0.10 -0.04 1.41 1.48 2pm9A1 ASN 35 H -0.00 -0.18 0.07 -0.55 8.53 7.87 2pm9A1 ASN 35 HA 0.12 0.27 0.74 -0.75 4.76 5.13 2pm9A1 ASN 35 HB2 0.06 0.06 0.14 -0.04 2.88 3.10 2pm9A1 ASN 35 HB3 0.05 0.07 -0.01 -0.04 2.79 2.86 2pm9A1 ASN 35 HD21 0.02 0.02 0.01 -0.04 7.03 7.04 2pm9A1 ASN 35 HD22 0.02 0.08 -0.05 -0.04 7.74 7.75 2pm9A1 PHE 36 H -0.08 0.09 -0.38 -0.55 8.34 7.42 2pm9A1 PHE 36 HA 0.01 -0.04 0.32 -0.75 4.62 4.14 2pm9A1 PHE 36 HB2 0.00 0.05 -0.34 -0.04 3.15 2.81 2pm9A1 PHE 36 HB3 0.00 0.06 0.17 -0.04 3.06 3.26 2pm9A1 PHE 36 HD2 -0.00 0.01 -0.11 -0.04 7.28 7.14 2pm9A1 PHE 36 HE2 -0.01 0.01 -0.04 -0.04 7.38 7.30 2pm9A1 PHE 36 HZ -0.01 -0.00 -0.03 -0.04 7.32 7.24 2pm9A1 SER 37 H 0.03 -0.19 0.03 -0.55 8.46 7.78 2pm9A1 SER 37 HA 0.07 0.12 0.41 -0.75 4.49 4.33 2pm9A1 SER 37 HB2 0.03 -0.05 0.08 -0.04 3.95 3.98 2pm9A1 SER 37 HB3 0.03 0.00 -0.01 -0.04 3.93 3.91 2pm9A1 THR 38 H 0.05 0.01 0.12 -0.55 8.28 7.91 2pm9A1 THR 38 HA 0.06 0.27 1.05 -0.75 4.39 5.02 2pm9A1 THR 38 HB 0.04 -0.10 0.12 -0.04 4.32 4.33 2pm9A1 THR 38 HG23 0.03 0.01 -0.12 -0.04 1.22 1.10 2pm9A1 ASP 39 H 0.03 0.03 0.15 -0.55 8.40 8.07 2pm9A1 ASP 39 HA 0.03 0.18 0.58 -0.75 4.63 4.66 2pm9A1 ASP 39 HB2 0.02 -0.06 0.18 -0.04 2.71 2.80 2pm9A1 ASP 39 HB3 0.02 -0.07 0.12 -0.04 2.70 2.74 2pm9A1 SER 40 H 0.04 0.25 0.15 -0.55 8.46 8.36 2pm9A1 SER 40 HA 0.09 0.03 0.49 -0.75 4.49 4.35 2pm9A1 SER 40 HB2 0.26 -0.31 0.15 -0.04 3.95 4.00 2pm9A1 SER 40 HB3 0.10 0.09 0.06 -0.04 3.93 4.13 2pm9A1 SER 41 H 0.10 0.04 0.20 -0.55 8.46 8.25 2pm9A1 SER 41 HA 0.03 0.24 1.01 -0.75 4.49 5.01 2pm9A1 SER 41 HB2 0.04 0.02 0.10 -0.04 3.95 4.07 2pm9A1 SER 41 HB3 -0.02 -0.09 -0.06 -0.04 3.93 3.72 2pm9A1 LEU 42 H 0.04 0.06 0.21 -0.55 8.37 8.13 2pm9A1 LEU 42 HA -0.17 -0.00 0.04 -0.75 4.35 3.47 2pm9A1 LEU 42 HB2 -0.02 -0.07 -0.37 -0.04 1.64 1.14 2pm9A1 LEU 42 HB3 -0.14 0.35 0.13 -0.04 1.64 1.94 2pm9A1 LEU 42 HG -0.25 -0.02 -0.00 -0.04 1.64 1.33 2pm9A1 LEU 42 HD13 -0.51 -0.02 -0.18 -0.04 0.93 0.19 2pm9A1 LEU 42 HD23 -0.68 0.01 -0.14 -0.04 0.89 0.05 2pm9A1 GLU 43 H -0.01 0.06 -0.09 -0.55 8.60 8.01 2pm9A1 GLU 43 HA -0.25 0.07 0.30 -0.75 4.29 3.66 2pm9A1 GLU 43 HB2 0.03 0.03 -0.06 -0.04 2.09 2.05 2pm9A1 GLU 43 HB3 -0.63 0.01 0.00 -0.04 1.99 1.33 2pm9A1 GLU 43 HG2 -0.11 -0.01 -0.05 -0.04 2.34 2.13 2pm9A1 GLU 43 HG3 0.00 -0.16 -0.03 -0.04 2.34 2.11 2pm9A1 LEU 44 H -0.59 0.05 0.03 -0.55 8.37 7.31 2pm9A1 LEU 44 HA -0.16 0.39 0.97 -0.75 4.35 4.80 2pm9A1 LEU 44 HB2 -0.12 0.12 0.02 -0.04 1.64 1.62 2pm9A1 LEU 44 HB3 -0.24 -0.20 0.13 -0.04 1.64 1.29 2pm9A1 LEU 44 HG -0.02 0.00 -0.07 -0.04 1.64 1.51 2pm9A1 LEU 44 HD13 0.19 0.09 -0.02 -0.04 0.93 1.14 2pm9A1 LEU 44 HD23 -0.01 -0.06 -0.12 -0.04 0.89 0.66 2pm9A1 TRP 45 H 0.14 0.47 0.32 -0.55 7.97 8.35 2pm9A1 TRP 45 HA -0.01 0.08 0.85 -0.75 4.62 4.78 2pm9A1 TRP 45 HB2 -0.05 -0.04 -0.16 -0.04 3.23 2.93 2pm9A1 TRP 45 HB3 0.04 0.13 -0.04 -0.04 3.23 3.32 2pm9A1 TRP 45 HD1 -0.28 0.02 -0.44 -0.04 7.22 6.48 2pm9A1 TRP 45 HE1 -0.33 -0.00 -0.38 -0.04 10.20 9.45 2pm9A1 TRP 45 HE3 0.05 0.08 -0.29 -0.04 7.59 7.40 2pm9A1 TRP 45 HZ2 -0.21 -0.02 -0.11 -0.04 7.44 7.06 2pm9A1 TRP 45 HZ3 0.04 0.11 -0.45 -0.04 7.13 6.79 2pm9A1 TRP 45 HH2 -0.06 0.01 -0.07 -0.04 7.19 7.03 2pm9A1 SER 46 H 0.26 0.33 0.21 -0.55 8.46 8.71 2pm9A1 SER 46 HA 0.17 0.31 0.98 -0.75 4.49 5.20 2pm9A1 SER 46 HB2 0.09 0.02 -0.05 -0.04 3.95 3.96 2pm9A1 SER 46 HB3 0.10 -0.07 0.10 -0.04 3.93 4.02 2pm9A1 LEU 47 H 0.13 0.28 0.12 -0.55 8.37 8.36 2pm9A1 LEU 47 HA 0.12 0.17 0.42 -0.75 4.35 4.31 2pm9A1 LEU 47 HB2 0.08 -0.02 0.03 -0.04 1.64 1.69 2pm9A1 LEU 47 HB3 0.07 0.09 0.11 -0.04 1.64 1.88 2pm9A1 LEU 47 HG 0.17 0.05 0.05 -0.04 1.64 1.87 2pm9A1 LEU 47 HD13 0.13 -0.01 -0.02 -0.04 0.93 0.99 2pm9A1 LEU 47 HD23 0.18 0.01 -0.18 -0.04 0.89 0.85 2pm9A1 LEU 48 H 0.09 -0.13 -0.49 -0.55 8.37 7.29 2pm9A1 LEU 48 HA 0.05 0.22 0.77 -0.75 4.35 4.62 2pm9A1 LEU 48 HB2 0.05 -0.15 0.12 -0.04 1.64 1.61 2pm9A1 LEU 48 HB3 0.04 0.04 -0.00 -0.04 1.64 1.67 2pm9A1 LEU 48 HG 0.05 -0.12 -0.04 -0.04 1.64 1.49 2pm9A1 LEU 48 HD13 0.03 0.01 -0.01 -0.04 0.93 0.91 2pm9A1 LEU 48 HD23 0.03 0.04 -0.12 -0.04 0.89 0.81 2pm9A1 ALA 49 H 0.06 -0.04 0.03 -0.55 8.40 7.91 2pm9A1 ALA 49 HA 0.04 -0.01 0.34 -0.75 4.34 3.96 2pm9A1 ALA 49 HB3 0.07 0.03 0.07 -0.04 1.41 1.54 2pm9A1 ALA 50 H 0.04 0.08 0.15 -0.55 8.40 8.12 2pm9A1 ALA 50 HA 0.04 0.05 0.44 -0.75 4.34 4.11 2pm9A1 ALA 50 HB3 0.03 0.01 0.13 -0.04 1.41 1.54 2pm9A1 ASP 51 H 0.04 0.17 0.25 -0.55 8.40 8.31 2pm9A1 ASP 51 HA 0.03 0.07 0.34 -0.75 4.63 4.32 2pm9A1 ASP 51 HB2 0.03 -0.09 -0.19 -0.04 2.71 2.42 2pm9A1 ASP 51 HB3 0.05 0.01 0.10 -0.04 2.70 2.82 2pm9A1 SER 52 H 0.09 0.44 -0.70 -0.55 8.46 7.75 2pm9A1 SER 52 HA 0.22 -0.05 0.15 -0.75 4.49 4.05 2pm9A1 SER 52 HB2 0.08 0.02 -0.13 -0.04 3.95 3.88 2pm9A1 SER 52 HB3 0.31 -0.09 0.08 -0.04 3.93 4.19 2pm9A1 GLU 53 H 0.14 0.18 -0.30 -0.55 8.60 8.08 2pm9A1 GLU 53 HA 0.21 0.18 0.86 -0.75 4.29 4.79 2pm9A1 GLU 53 HB2 0.09 -0.03 -0.01 -0.04 2.09 2.10 2pm9A1 GLU 53 HB3 0.10 -0.09 0.09 -0.04 1.99 2.05 2pm9A1 GLU 53 HG2 0.07 0.01 0.04 -0.04 2.34 2.42 2pm9A1 GLU 53 HG3 0.07 0.42 0.01 -0.04 2.34 2.80 2pm9A1 LYS 54 H 0.18 0.07 -0.03 -0.55 8.42 8.08 2pm9A1 LYS 54 HA 0.08 0.23 0.95 -0.75 4.32 4.83 2pm9A1 LYS 54 HB2 0.04 -0.07 0.05 -0.04 1.87 1.85 2pm9A1 LYS 54 HB3 -0.02 0.12 -0.03 -0.04 1.79 1.82 2pm9A1 LYS 54 HG2 0.03 0.05 -0.03 -0.04 1.46 1.48 2pm9A1 LYS 54 HG3 0.06 -0.06 -0.29 -0.04 1.46 1.13 2pm9A1 LYS 54 HD2 0.02 -0.04 -0.02 -0.04 1.69 1.61 2pm9A1 LYS 54 HD3 0.00 0.03 -0.01 -0.04 1.68 1.65 2pm9A1 LYS 54 HE2 0.02 0.01 -0.02 -0.04 2.99 2.96 2pm9A1 LYS 54 HE3 0.03 -0.01 -0.05 -0.04 2.99 2.93 2pm9A1 PRO 55 HA -0.98 0.16 0.57 -0.51 4.44 3.68 2pm9A1 PRO 55 HB2 -0.80 -0.18 -0.05 -0.04 2.28 1.21 2pm9A1 PRO 55 HB3 -1.74 0.01 0.03 -0.04 2.02 0.27 2pm9A1 PRO 55 HG2 -0.29 0.04 -0.02 -0.04 2.03 1.72 2pm9A1 PRO 55 HG3 -0.30 -0.00 0.02 -0.04 2.03 1.70 2pm9A1 PRO 55 HD2 -0.10 0.11 0.21 -0.04 3.68 3.85 2pm9A1 PRO 55 HD3 -0.14 0.17 0.11 -0.04 3.65 3.75 2pm9A1 ILE 56 H -0.40 0.34 0.13 -0.55 8.25 7.77 2pm9A1 ILE 56 HA -0.11 0.09 0.39 -0.75 4.18 3.80 2pm9A1 ILE 56 HB -0.15 -0.15 -0.04 -0.04 1.89 1.51 2pm9A1 ILE 56 HG12 -0.02 0.06 0.03 -0.04 1.49 1.51 2pm9A1 ILE 56 HG13 -0.07 -0.05 -0.03 -0.04 1.21 1.03 2pm9A1 ILE 56 HG23 -0.05 -0.04 -0.31 -0.04 0.93 0.49 2pm9A1 ILE 56 HD13 0.02 -0.03 -0.12 -0.04 0.88 0.71 2pm9A1 ALA 57 H -0.28 0.01 -0.11 -0.55 8.40 7.46 2pm9A1 ALA 57 HA -0.15 0.11 0.45 -0.75 4.34 4.00 2pm9A1 ALA 57 HB3 -0.09 0.05 -0.01 -0.04 1.41 1.32 2pm9A1 SER 58 H -0.16 0.15 0.05 -0.55 8.46 7.96 2pm9A1 SER 58 HA -0.19 0.16 0.58 -0.75 4.49 4.28 2pm9A1 SER 58 HB2 -0.10 -0.06 0.03 -0.04 3.95 3.78 2pm9A1 SER 58 HB3 -0.18 -0.06 0.00 -0.04 3.93 3.65 2pm9A1 LEU 59 H -0.10 0.29 -0.07 -0.55 8.37 7.94 2pm9A1 LEU 59 HA -0.09 0.02 0.46 -0.75 4.35 3.99 2pm9A1 LEU 59 HB2 -0.15 0.20 -0.25 -0.04 1.64 1.41 2pm9A1 LEU 59 HB3 -0.20 0.01 -0.05 -0.04 1.64 1.35 2pm9A1 LEU 59 HG -0.15 0.11 -0.03 -0.04 1.64 1.52 2pm9A1 LEU 59 HD13 -0.08 0.03 0.08 -0.04 0.93 0.92 2pm9A1 LEU 59 HD23 -0.31 -0.04 -0.23 -0.04 0.89 0.27 2pm9A1 GLN 60 H -0.05 -0.00 0.08 -0.55 8.47 7.96 2pm9A1 GLN 60 HA -0.01 0.07 0.48 -0.75 4.36 4.15 2pm9A1 GLN 60 HB2 -0.02 -0.03 0.04 -0.04 2.15 2.10 2pm9A1 GLN 60 HB3 -0.01 0.07 0.03 -0.04 2.02 2.08 2pm9A1 GLN 60 HG2 -0.02 -0.08 0.12 -0.04 2.40 2.38 2pm9A1 GLN 60 HG3 -0.02 -0.01 0.05 -0.04 2.39 2.37 2pm9A1 GLN 60 HE21 0.00 -0.01 0.00 -0.04 6.97 6.93 2pm9A1 GLN 60 HE22 -0.01 -0.05 0.01 -0.04 7.69 7.60 2pm9A1 VAL 61 H 0.02 0.45 0.23 -0.55 8.24 8.40 2pm9A1 VAL 61 HA -0.01 0.17 0.91 -0.75 4.13 4.45 2pm9A1 VAL 61 HB -0.02 -0.04 -0.04 -0.04 2.12 1.98 2pm9A1 VAL 61 HG13 0.05 0.05 -0.09 -0.04 0.97 0.94 2pm9A1 VAL 61 HG23 0.21 0.00 -0.25 -0.04 0.95 0.87 2pm9A1 ASP 62 H -0.02 0.10 0.11 -0.55 8.40 8.05 2pm9A1 ASP 62 HA -0.01 0.07 0.42 -0.75 4.63 4.36 2pm9A1 ASP 62 HB2 -0.03 -0.07 0.12 -0.04 2.71 2.69 2pm9A1 ASP 62 HB3 -0.01 0.02 0.07 -0.04 2.70 2.74 2pm9A1 SER 63 H -0.08 0.03 0.05 -0.55 8.46 7.92 2pm9A1 SER 63 HA -0.04 0.28 0.87 -0.75 4.49 4.84 2pm9A1 SER 63 HB2 -0.09 -0.03 0.08 -0.04 3.95 3.86 2pm9A1 SER 63 HB3 -0.07 -0.09 0.22 -0.04 3.93 3.96 2pm9A1 LYS 64 H -0.07 0.11 0.17 -0.55 8.42 8.08 2pm9A1 LYS 64 HA -0.12 0.14 0.83 -0.75 4.32 4.41 2pm9A1 LYS 64 HB2 0.00 -0.05 0.02 -0.04 1.87 1.80 2pm9A1 LYS 64 HB3 0.05 0.27 -0.23 -0.04 1.79 1.83 2pm9A1 LYS 64 HG2 0.03 -0.09 -0.08 -0.04 1.46 1.28 2pm9A1 LYS 64 HG3 0.01 -0.07 0.02 -0.04 1.46 1.37 2pm9A1 LYS 64 HD2 0.03 -0.00 0.04 -0.04 1.69 1.72 2pm9A1 LYS 64 HD3 0.05 0.08 -0.02 -0.04 1.68 1.75 2pm9A1 LYS 64 HE2 0.04 0.17 0.00 -0.04 2.99 3.17 2pm9A1 LYS 64 HE3 0.04 -0.05 0.06 -0.04 2.99 3.00 2pm9A1 PHE 65 H 0.20 0.72 0.25 -0.55 8.34 8.96 2pm9A1 PHE 65 HA 0.06 0.13 0.72 -0.75 4.62 4.78 2pm9A1 PHE 65 HB2 0.06 0.13 -0.14 -0.04 3.15 3.16 2pm9A1 PHE 65 HB3 0.06 -0.04 0.00 -0.04 3.06 3.05 2pm9A1 PHE 65 HD2 0.06 0.03 0.06 -0.04 7.28 7.39 2pm9A1 PHE 65 HE2 0.15 -0.02 -0.11 -0.04 7.38 7.35 2pm9A1 PHE 65 HZ 0.09 0.06 -0.14 -0.04 7.32 7.29 2pm9A1 ASN 66 H 0.19 0.76 0.52 -0.55 8.53 9.46 2pm9A1 ASN 66 HA 0.12 -0.02 0.86 -0.75 4.76 4.98 2pm9A1 ASN 66 HB2 0.08 0.18 -0.03 -0.04 2.88 3.06 2pm9A1 ASN 66 HB3 0.09 0.14 0.17 -0.04 2.79 3.14 2pm9A1 ASN 66 HD21 0.04 -0.09 -0.05 -0.04 7.03 6.89 2pm9A1 ASN 66 HD22 0.04 0.31 -0.10 -0.04 7.74 7.95 2pm9A1 ASP 67 H 0.24 0.07 0.35 -0.55 8.40 8.51 2pm9A1 ASP 67 HA 0.10 0.09 0.47 -0.75 4.63 4.53 2pm9A1 ASP 67 HB2 0.10 0.49 -0.25 -0.04 2.71 3.00 2pm9A1 ASP 67 HB3 0.08 -0.14 -0.13 -0.04 2.70 2.47 2pm9A1 LEU 68 H 0.03 0.29 0.17 -0.55 8.37 8.32 2pm9A1 LEU 68 HA 0.06 0.43 0.80 -0.75 4.35 4.89 2pm9A1 LEU 68 HB2 -0.05 0.17 -0.11 -0.04 1.64 1.61 2pm9A1 LEU 68 HB3 0.01 -0.07 -0.14 -0.04 1.64 1.39 2pm9A1 LEU 68 HG -0.15 0.03 -0.15 -0.04 1.64 1.32 2pm9A1 LEU 68 HD13 -0.36 0.03 -0.10 -0.04 0.93 0.46 2pm9A1 LEU 68 HD23 -0.03 0.04 -0.15 -0.04 0.89 0.71 2pm9A1 ASP 69 H 0.10 0.47 0.26 -0.55 8.40 8.68 2pm9A1 ASP 69 HA 0.26 0.15 0.97 -0.75 4.63 5.25 2pm9A1 ASP 69 HB2 0.15 0.26 0.04 -0.04 2.71 3.11 2pm9A1 ASP 69 HB3 0.16 -0.13 -0.04 -0.04 2.70 2.65 2pm9A1 TRP 70 H 0.52 0.24 0.15 -0.55 7.97 8.33 2pm9A1 TRP 70 HA 0.15 0.13 0.78 -0.75 4.62 4.92 2pm9A1 TRP 70 HB2 0.14 -0.03 -0.05 -0.04 3.23 3.25 2pm9A1 TRP 70 HB3 0.20 0.14 0.21 -0.04 3.23 3.74 2pm9A1 TRP 70 HD1 0.05 0.55 -0.20 -0.04 7.22 7.57 2pm9A1 TRP 70 HE1 0.04 -0.07 -0.10 -0.04 10.20 10.02 2pm9A1 TRP 70 HE3 0.10 0.12 -0.33 -0.04 7.59 7.43 2pm9A1 TRP 70 HZ2 0.04 0.02 -0.01 -0.04 7.44 7.46 2pm9A1 TRP 70 HZ3 0.06 0.02 -0.25 -0.04 7.13 6.93 2pm9A1 TRP 70 HH2 0.04 -0.06 -0.09 -0.04 7.19 7.04 2pm9A1 SER 71 H -0.42 0.67 0.34 -0.55 8.46 8.50 2pm9A1 SER 71 HA -1.59 0.04 0.31 -0.75 4.49 2.50 2pm9A1 SER 71 HB2 -0.84 0.16 0.10 -0.04 3.95 3.33 2pm9A1 SER 71 HB3 -1.78 0.02 0.09 -0.04 3.93 2.22 2pm9A1 HIS 72 H -0.33 0.25 0.17 -0.55 8.41 7.95 2pm9A1 HIS 72 HA -0.64 0.16 0.49 -0.75 4.63 3.89 2pm9A1 HIS 72 HB2 -0.24 -0.01 0.30 -0.04 3.26 3.27 2pm9A1 HIS 72 HB3 -0.34 -0.01 0.19 -0.04 3.20 3.00 2pm9A1 HIS 72 HD2 -0.19 0.15 0.21 -0.04 6.97 7.09 2pm9A1 HIS 72 HE1 0.07 0.00 -0.03 -0.04 7.75 7.75 2pm9A1 ASN 73 H 0.26 0.84 0.47 -0.55 8.53 9.55 2pm9A1 ASN 73 HA 0.09 -0.01 0.31 -0.75 4.76 4.39 2pm9A1 ASN 73 HB2 -0.03 0.05 -0.10 -0.04 2.88 2.75 2pm9A1 ASN 73 HB3 -0.00 0.13 0.08 -0.04 2.79 2.96 2pm9A1 ASN 73 HD21 -0.04 -0.08 -0.04 -0.04 7.03 6.83 2pm9A1 ASN 73 HD22 -0.04 0.13 -0.07 -0.04 7.74 7.72 2pm9A1 ASN 74 H 0.04 0.13 -1.32 -0.55 8.53 6.84 2pm9A1 ASN 74 HA 0.04 0.07 0.20 -0.75 4.76 4.32 2pm9A1 ASN 74 HB2 -0.11 -0.04 -0.11 -0.04 2.88 2.58 2pm9A1 ASN 74 HB3 -0.04 0.02 0.06 -0.04 2.79 2.79 2pm9A1 ASN 74 HD21 -0.06 -0.05 -0.05 -0.04 7.03 6.82 2pm9A1 ASN 74 HD22 -0.06 -0.03 -0.08 -0.04 7.74 7.53 2pm9A1 LYS 75 H 0.40 1.24 -0.57 -0.55 8.42 8.93 2pm9A1 LYS 75 HA 0.35 -0.11 0.28 -0.75 4.32 4.08 2pm9A1 LYS 75 HB2 0.06 -0.03 -0.04 -0.04 1.87 1.82 2pm9A1 LYS 75 HB3 0.07 0.48 0.37 -0.04 1.79 2.67 2pm9A1 LYS 75 HG2 0.16 0.07 0.12 -0.04 1.46 1.78 2pm9A1 LYS 75 HG3 0.11 -0.09 0.11 -0.04 1.46 1.54 2pm9A1 LYS 75 HD2 0.25 0.12 0.14 -0.04 1.69 2.16 2pm9A1 LYS 75 HD3 0.54 -0.00 0.14 -0.04 1.68 2.32 2pm9A1 LYS 75 HE2 0.14 0.12 0.12 -0.04 2.99 3.32 2pm9A1 LYS 75 HE3 0.12 -0.08 0.16 -0.04 2.99 3.15 2pm9A1 ILE 76 H -0.19 0.03 -0.40 -0.55 8.25 7.14 2pm9A1 ILE 76 HA -0.18 0.44 0.82 -0.75 4.18 4.50 2pm9A1 ILE 76 HB -0.28 -0.16 -0.01 -0.04 1.89 1.39 2pm9A1 ILE 76 HG12 -0.08 0.52 -0.34 -0.04 1.49 1.55 2pm9A1 ILE 76 HG13 -0.08 -0.13 -0.06 -0.04 1.21 0.90 2pm9A1 ILE 76 HG23 0.06 -0.03 -0.18 -0.04 0.93 0.74 2pm9A1 ILE 76 HD13 -0.06 0.03 0.13 -0.04 0.88 0.94 2pm9A1 ILE 77 H -0.27 0.31 0.05 -0.55 8.25 7.79 2pm9A1 ILE 77 HA -0.20 0.22 0.94 -0.75 4.18 4.39 2pm9A1 ILE 77 HB -0.13 -0.06 0.02 -0.04 1.89 1.68 2pm9A1 ILE 77 HG12 -1.60 0.03 -0.28 -0.04 1.49 -0.40 2pm9A1 ILE 77 HG13 -0.97 -0.02 -0.39 -0.04 1.21 -0.22 2pm9A1 ILE 77 HG23 -0.08 0.02 -0.30 -0.04 0.93 0.52 2pm9A1 ILE 77 HD13 -0.65 -0.00 -0.21 -0.04 0.88 -0.03 2pm9A1 ALA 78 H 0.22 0.69 0.25 -0.55 8.40 9.01 2pm9A1 ALA 78 HA -0.21 0.20 0.79 -0.75 4.34 4.37 2pm9A1 ALA 78 HB3 -0.24 -0.01 -0.03 -0.04 1.41 1.09 2pm9A1 GLY 79 H -0.18 0.55 0.33 -0.55 8.43 8.58 2pm9A1 GLY 79 HA2 0.17 0.36 1.09 -0.51 4.01 5.12 2pm9A1 GLY 79 HA3 0.34 0.01 0.32 -0.51 4.01 4.17 2pm9A1 ALA 80 H 0.21 0.57 0.16 -0.55 8.40 8.79 2pm9A1 ALA 80 HA 0.06 0.07 0.68 -0.75 4.34 4.40 2pm9A1 ALA 80 HB3 0.09 -0.00 -0.36 -0.04 1.41 1.09 2pm9A1 LEU 81 H 0.01 0.36 0.06 -0.55 8.37 8.25 2pm9A1 LEU 81 HA -0.16 0.23 0.78 -0.75 4.35 4.44 2pm9A1 LEU 81 HB2 -0.06 0.14 -0.02 -0.04 1.64 1.66 2pm9A1 LEU 81 HB3 -0.17 -0.14 -0.04 -0.04 1.64 1.25 2pm9A1 LEU 81 HG -0.11 -0.07 -0.26 -0.04 1.64 1.16 2pm9A1 LEU 81 HD13 -0.03 0.01 -0.14 -0.04 0.93 0.73 2pm9A1 LEU 81 HD23 -0.89 -0.00 -0.32 -0.04 0.89 -0.36 2pm9A1 ASP 82 H -0.11 0.56 0.21 -0.55 8.40 8.52 2pm9A1 ASP 82 HA -0.00 0.11 0.35 -0.75 4.63 4.33 2pm9A1 ASP 82 HB2 -0.05 -0.17 0.21 -0.04 2.71 2.66 2pm9A1 ASP 82 HB3 -0.01 0.04 -0.01 -0.04 2.70 2.67 2pm9A1 ASN 83 H -0.03 0.05 -0.17 -0.55 8.53 7.84 2pm9A1 ASN 83 HA 0.01 0.13 0.48 -0.75 4.76 4.62 2pm9A1 ASN 83 HB2 0.01 0.06 0.07 -0.04 2.88 2.98 2pm9A1 ASN 83 HB3 -0.00 0.01 0.05 -0.04 2.79 2.81 2pm9A1 ASN 83 HD21 -0.03 -0.05 0.00 -0.04 7.03 6.91 2pm9A1 ASN 83 HD22 -0.02 0.04 0.00 -0.04 7.74 7.73 2pm9A1 GLY 84 H 0.03 0.42 0.01 -0.55 8.43 8.35 2pm9A1 GLY 84 HA2 0.09 -0.00 0.07 -0.51 4.01 3.66 2pm9A1 GLY 84 HA3 0.08 -0.38 0.24 -0.51 4.01 3.44 2pm9A1 SER 85 H 0.06 0.21 -0.30 -0.55 8.46 7.89 2pm9A1 SER 85 HA 0.12 -0.06 0.78 -0.75 4.49 4.58 2pm9A1 SER 85 HB2 0.06 0.43 0.24 -0.04 3.95 4.64 2pm9A1 SER 85 HB3 0.06 0.06 -0.03 -0.04 3.93 3.98 2pm9A1 LEU 86 H 0.06 0.06 0.02 -0.55 8.37 7.97 2pm9A1 LEU 86 HA -0.01 0.35 1.03 -0.75 4.35 4.97 2pm9A1 LEU 86 HB2 -0.12 0.15 0.02 -0.04 1.64 1.65 2pm9A1 LEU 86 HB3 -0.00 -0.09 -0.07 -0.04 1.64 1.44 2pm9A1 LEU 86 HG -0.51 0.02 -0.40 -0.04 1.64 0.72 2pm9A1 LEU 86 HD13 -0.62 -0.01 -0.20 -0.04 0.93 0.06 2pm9A1 LEU 86 HD23 -0.51 -0.04 -0.06 -0.04 0.89 0.24 2pm9A1 GLU 87 H -0.11 0.38 0.31 -0.55 8.60 8.64 2pm9A1 GLU 87 HA -0.05 0.16 1.00 -0.75 4.29 4.64 2pm9A1 GLU 87 HB2 0.03 -0.02 -0.18 -0.04 2.09 1.87 2pm9A1 GLU 87 HB3 -0.02 -0.07 0.00 -0.04 1.99 1.87 2pm9A1 GLU 87 HG2 0.04 0.05 -0.20 -0.04 2.34 2.19 2pm9A1 GLU 87 HG3 0.03 0.24 -0.03 -0.04 2.34 2.54 2pm9A1 LEU 88 H -0.16 0.61 0.22 -0.55 8.37 8.50 2pm9A1 LEU 88 HA -0.40 0.27 0.87 -0.75 4.35 4.33 2pm9A1 LEU 88 HB2 -0.10 -0.06 0.03 -0.04 1.64 1.46 2pm9A1 LEU 88 HB3 -0.14 0.02 -0.00 -0.04 1.64 1.48 2pm9A1 LEU 88 HG -0.13 0.04 -0.13 -0.04 1.64 1.38 2pm9A1 LEU 88 HD13 -0.21 -0.01 -0.14 -0.04 0.93 0.53 2pm9A1 LEU 88 HD23 -0.40 -0.03 -0.42 -0.04 0.89 -0.00 2pm9A1 TYR 89 H -0.30 0.26 0.30 -0.55 8.29 7.99 2pm9A1 TYR 89 HA -0.06 -0.04 1.02 -0.75 4.56 4.72 2pm9A1 TYR 89 HB2 -0.18 -0.06 0.01 -0.04 3.06 2.78 2pm9A1 TYR 89 HB3 -0.11 0.03 0.05 -0.04 2.98 2.90 2pm9A1 TYR 89 HD2 -0.07 -0.06 -0.08 -0.04 7.15 6.90 2pm9A1 TYR 89 HE2 0.10 -0.01 -0.16 -0.04 6.85 6.73 2pm9A1 SER 90 H 0.04 0.77 0.35 -0.55 8.46 9.08 2pm9A1 SER 90 HA -0.07 0.45 1.23 -0.75 4.49 5.35 2pm9A1 SER 90 HB2 -0.01 0.03 -0.12 -0.04 3.95 3.81 2pm9A1 SER 90 HB3 -0.01 -0.00 -0.14 -0.04 3.93 3.73 2pm9A1 THR 91 H -0.02 -0.10 0.24 -0.55 8.28 7.85 2pm9A1 THR 91 HA -0.01 0.18 0.36 -0.75 4.39 4.16 2pm9A1 THR 91 HB -0.06 0.29 -0.32 -0.04 4.32 4.19 2pm9A1 THR 91 HG23 0.19 -0.05 -0.24 -0.04 1.22 1.07 2pm9A1 ASN 92 H 0.01 0.31 0.06 -0.55 8.53 8.36 2pm9A1 ASN 92 HA 0.03 0.18 0.60 -0.75 4.76 4.82 2pm9A1 ASN 92 HB2 0.01 0.01 0.21 -0.04 2.88 3.06 2pm9A1 ASN 92 HB3 0.01 0.02 0.11 -0.04 2.79 2.89 2pm9A1 ASN 92 HD21 -0.01 -0.00 -0.02 -0.04 7.03 6.96 2pm9A1 ASN 92 HD22 -0.01 0.04 0.03 -0.04 7.74 7.77 2pm9A1 GLU 93 H 0.07 0.38 -0.17 -0.55 8.60 8.34 2pm9A1 GLU 93 HA 0.07 -0.05 0.39 -0.75 4.29 3.95 2pm9A1 GLU 93 HB2 0.03 0.28 0.61 -0.04 2.09 2.97 2pm9A1 GLU 93 HB3 0.03 0.02 0.09 -0.04 1.99 2.08 2pm9A1 GLU 93 HG2 0.03 -0.04 -0.51 -0.04 2.34 1.78 2pm9A1 GLU 93 HG3 0.02 -0.00 -0.04 -0.04 2.34 2.28 2pm9A1 ALA 94 H 0.11 0.11 0.10 -0.55 8.40 8.17 2pm9A1 ALA 94 HA 0.16 -0.04 0.32 -0.75 4.34 4.02 2pm9A1 ALA 94 HB3 0.06 0.03 0.10 -0.04 1.41 1.55 2pm9A1 ASN 95 H 0.08 0.06 0.07 -0.55 8.53 8.19 2pm9A1 ASN 95 HA 0.03 -0.06 0.28 -0.75 4.76 4.25 2pm9A1 ASN 95 HB2 0.03 0.50 0.30 -0.04 2.88 3.66 2pm9A1 ASN 95 HB3 0.02 0.00 0.10 -0.04 2.79 2.87 2pm9A1 ASN 95 HD21 0.03 -0.07 -0.01 -0.04 7.03 6.94 2pm9A1 ASN 95 HD22 0.02 0.03 0.03 -0.04 7.74 7.78 2pm9A1 ASN 96 H 0.03 0.39 -0.41 -0.55 8.53 8.00 2pm9A1 ASN 96 HA -0.00 0.19 0.74 -0.75 4.76 4.93 2pm9A1 ASN 96 HB2 0.02 0.02 -0.02 -0.04 2.88 2.85 2pm9A1 ASN 96 HB3 0.00 -0.06 -0.01 -0.04 2.79 2.68 2pm9A1 ASN 96 HD21 0.01 -0.06 -0.06 -0.04 7.03 6.88 2pm9A1 ASN 96 HD22 0.01 -0.01 -0.12 -0.04 7.74 7.58 2pm9A1 ALA 97 H 0.00 0.05 -0.13 -0.55 8.40 7.79 2pm9A1 ALA 97 HA -0.05 0.04 0.27 -0.75 4.34 3.84 2pm9A1 ALA 97 HB3 -0.03 0.10 -0.01 -0.04 1.41 1.43 2pm9A1 ILE 98 H -0.07 0.24 0.02 -0.55 8.25 7.89 2pm9A1 ILE 98 HA -0.05 -0.12 0.57 -0.75 4.18 3.82 2pm9A1 ILE 98 HB -0.10 -0.06 -0.00 -0.04 1.89 1.69 2pm9A1 ILE 98 HG12 -0.16 0.00 -0.76 -0.04 1.49 0.52 2pm9A1 ILE 98 HG13 -0.13 -0.12 -0.18 -0.04 1.21 0.74 2pm9A1 ILE 98 HG23 -0.13 0.02 -0.10 -0.04 0.93 0.68 2pm9A1 ILE 98 HD13 -0.27 0.01 -0.16 -0.04 0.88 0.42 2pm9A1 ASN 99 H -0.04 -0.18 0.35 -0.55 8.53 8.11 2pm9A1 ASN 99 HA -0.05 0.27 0.92 -0.75 4.76 5.15 2pm9A1 ASN 99 HB2 -0.02 0.05 -0.09 -0.04 2.88 2.78 2pm9A1 ASN 99 HB3 -0.01 -0.08 0.02 -0.04 2.79 2.68 2pm9A1 ASN 99 HD21 -0.01 0.03 -0.00 -0.04 7.03 7.00 2pm9A1 ASN 99 HD22 -0.01 -0.04 -0.04 -0.04 7.74 7.61 2pm9A1 SER 100 H -0.01 0.20 0.17 -0.55 8.46 8.27 2pm9A1 SER 100 HA 0.26 0.00 0.92 -0.75 4.49 4.91 2pm9A1 SER 100 HB2 -0.02 0.01 0.02 -0.04 3.95 3.92 2pm9A1 SER 100 HB3 0.02 -0.03 0.15 -0.04 3.93 4.03 2pm9A1 MET 101 H 0.15 0.43 0.32 -0.55 8.47 8.82 2pm9A1 MET 101 HA 0.02 0.13 0.73 -0.75 4.52 4.64 2pm9A1 MET 101 HB2 -0.02 0.16 -0.06 -0.04 2.15 2.19 2pm9A1 MET 101 HB3 -0.00 -0.23 0.19 -0.04 2.03 1.95 2pm9A1 MET 101 HG2 -0.00 0.01 -0.10 -0.04 2.63 2.49 2pm9A1 MET 101 HG3 0.01 -0.11 -0.38 -0.04 2.56 2.04 2pm9A1 MET 101 HE3 -0.02 -0.02 0.00 -0.04 2.10 2.02 2pm9A1 ALA 102 H 0.01 0.03 0.12 -0.55 8.40 8.01 2pm9A1 ALA 102 HA -0.07 0.15 0.52 -0.75 4.34 4.19 2pm9A1 ALA 102 HB3 -0.10 0.01 0.06 -0.04 1.41 1.34 2pm9A1 ARG 103 H -0.28 0.27 0.22 -0.55 8.46 8.12 2pm9A1 ARG 103 HA 0.07 0.13 1.00 -0.75 4.34 4.79 2pm9A1 ARG 103 HB2 0.01 0.04 -0.12 -0.04 1.90 1.79 2pm9A1 ARG 103 HB3 -0.06 -0.03 0.07 -0.04 1.80 1.73 2pm9A1 ARG 103 HG2 -0.00 0.03 -0.21 -0.04 1.67 1.45 2pm9A1 ARG 103 HG3 0.03 0.10 -0.08 -0.04 1.67 1.67 2pm9A1 ARG 103 HD2 0.04 -0.02 -0.08 -0.04 3.22 3.12 2pm9A1 ARG 103 HD3 0.00 -0.02 -0.06 -0.04 3.22 3.10 2pm9A1 PHE 104 H 0.24 0.80 0.36 -0.55 8.34 9.18 2pm9A1 PHE 104 HA 0.01 0.26 0.94 -0.75 4.62 5.07 2pm9A1 PHE 104 HB2 -0.22 -0.07 0.02 -0.04 3.15 2.83 2pm9A1 PHE 104 HB3 0.14 -0.10 0.16 -0.04 3.06 3.22 2pm9A1 PHE 104 HD2 -0.00 0.06 -0.14 -0.04 7.28 7.16 2pm9A1 PHE 104 HE2 -0.03 -0.00 -0.23 -0.04 7.38 7.08 2pm9A1 PHE 104 HZ -0.15 0.15 -0.27 -0.04 7.32 7.01 2pm9A1 SER 105 H 0.30 0.11 0.19 -0.55 8.46 8.52 2pm9A1 SER 105 HA 0.18 0.04 0.60 -0.75 4.49 4.56 2pm9A1 SER 105 HB2 0.11 0.09 0.30 -0.04 3.95 4.40 2pm9A1 SER 105 HB3 0.09 0.14 0.15 -0.04 3.93 4.27 2pm9A1 ASN 106 H 0.38 0.06 0.15 -0.55 8.53 8.57 2pm9A1 ASN 106 HA 0.17 0.15 0.46 -0.75 4.76 4.79 2pm9A1 ASN 106 HB2 0.20 -0.07 0.01 -0.04 2.88 2.98 2pm9A1 ASN 106 HB3 0.06 0.06 0.18 -0.04 2.79 3.05 2pm9A1 ASN 106 HD21 0.35 0.34 0.04 -0.04 7.03 7.73 2pm9A1 ASN 106 HD22 -0.07 -0.07 0.15 -0.04 7.74 7.71 2pm9A1 HIS 107 H 0.27 -0.07 -1.18 -0.55 8.41 6.88 2pm9A1 HIS 107 HA 0.09 0.13 0.64 -0.75 4.63 4.74 2pm9A1 HIS 107 HB2 0.11 0.06 -0.21 -0.04 3.26 3.19 2pm9A1 HIS 107 HB3 0.01 -0.01 -0.21 -0.04 3.20 2.95 2pm9A1 HIS 107 HD2 -0.54 0.12 -0.19 -0.04 6.97 6.31 2pm9A1 HIS 107 HE1 -0.10 -0.05 -0.35 -0.04 7.75 7.21 2pm9A1 SER 108 H -0.02 0.08 0.06 -0.55 8.46 8.03 2pm9A1 SER 108 HA 0.05 0.20 0.77 -0.75 4.49 4.75 2pm9A1 SER 108 HB2 -0.04 -0.14 0.23 -0.04 3.95 3.96 2pm9A1 SER 108 HB3 0.00 0.07 0.08 -0.04 3.93 4.04 2pm9A1 SER 109 H 0.05 0.32 0.01 -0.55 8.46 8.30 2pm9A1 SER 109 HA 0.04 0.03 0.26 -0.75 4.49 4.06 2pm9A1 SER 109 HB2 0.01 0.02 0.14 -0.04 3.95 4.08 2pm9A1 SER 109 HB3 0.02 0.03 0.09 -0.04 3.93 4.03 2pm9A1 SER 110 H 0.04 0.01 -0.20 -0.55 8.46 7.76 2pm9A1 SER 110 HA 0.01 0.09 0.42 -0.75 4.49 4.24 2pm9A1 SER 110 HB2 -0.02 0.50 0.67 -0.04 3.95 5.05 2pm9A1 SER 110 HB3 -0.08 -0.22 0.07 -0.04 3.93 3.66 2pm9A1 VAL 111 H 0.04 0.42 0.10 -0.55 8.24 8.25 2pm9A1 VAL 111 HA 0.06 0.13 0.82 -0.75 4.13 4.40 2pm9A1 VAL 111 HB 0.09 0.09 -0.04 -0.04 2.12 2.23 2pm9A1 VAL 111 HG13 0.12 0.01 -0.30 -0.04 0.97 0.77 2pm9A1 VAL 111 HG23 0.41 -0.07 -0.42 -0.04 0.95 0.83 2pm9A1 LYS 112 H 0.01 0.55 0.23 -0.55 8.42 8.66 2pm9A1 LYS 112 HA 0.05 0.18 0.94 -0.75 4.32 4.74 2pm9A1 LYS 112 HB2 -0.01 0.04 0.06 -0.04 1.87 1.92 2pm9A1 LYS 112 HB3 0.02 0.09 0.13 -0.04 1.79 1.99 2pm9A1 LYS 112 HG2 0.02 -0.06 -0.11 -0.04 1.46 1.27 2pm9A1 LYS 112 HG3 0.03 -0.01 -0.10 -0.04 1.46 1.34 2pm9A1 LYS 112 HD2 0.07 0.04 -0.03 -0.04 1.69 1.73 2pm9A1 LYS 112 HD3 0.07 0.01 0.12 -0.04 1.68 1.85 2pm9A1 LYS 112 HE2 0.07 -0.03 0.01 -0.04 2.99 2.99 2pm9A1 LYS 112 HE3 0.07 -0.01 0.00 -0.04 2.99 3.02 2pm9A1 THR 113 H 0.02 0.19 0.29 -0.55 8.28 8.23 2pm9A1 THR 113 HA 0.06 0.33 1.04 -0.75 4.39 5.06 2pm9A1 THR 113 HB 0.01 -0.09 -0.14 -0.04 4.32 4.07 2pm9A1 THR 113 HG23 0.06 -0.04 -0.05 -0.04 1.22 1.14 2pm9A1 VAL 114 H 0.05 0.26 0.04 -0.55 8.24 8.04 2pm9A1 VAL 114 HA 0.01 0.46 0.92 -0.75 4.13 4.76 2pm9A1 VAL 114 HB 0.02 -0.04 -0.10 -0.04 2.12 1.95 2pm9A1 VAL 114 HG13 -0.17 -0.03 -0.26 -0.04 0.97 0.47 2pm9A1 VAL 114 HG23 0.02 -0.02 -0.61 -0.04 0.95 0.31 2pm9A1 LYS 115 H 0.04 0.49 0.17 -0.55 8.42 8.56 2pm9A1 LYS 115 HA 0.16 0.22 1.05 -0.75 4.32 4.99 2pm9A1 LYS 115 HB2 0.11 0.02 -0.18 -0.04 1.87 1.78 2pm9A1 LYS 115 HB3 0.19 -0.07 -0.13 -0.04 1.79 1.74 2pm9A1 LYS 115 HG2 0.34 -0.15 -0.32 -0.04 1.46 1.29 2pm9A1 LYS 115 HG3 0.53 0.11 -0.28 -0.04 1.46 1.78 2pm9A1 LYS 115 HD2 0.25 -0.05 0.17 -0.04 1.69 2.01 2pm9A1 LYS 115 HD3 0.20 0.17 0.09 -0.04 1.68 2.09 2pm9A1 LYS 115 HE2 0.28 -0.10 0.15 -0.04 2.99 3.29 2pm9A1 LYS 115 HE3 0.30 0.06 0.08 -0.04 2.99 3.40 2pm9A1 PHE 116 H 0.29 0.20 0.10 -0.55 8.34 8.37 2pm9A1 PHE 116 HA -0.11 0.16 0.90 -0.75 4.62 4.82 2pm9A1 PHE 116 HB2 0.04 0.01 -0.10 -0.04 3.15 3.05 2pm9A1 PHE 116 HB3 -0.25 0.06 -0.12 -0.04 3.06 2.72 2pm9A1 PHE 116 HD2 -0.04 0.16 -0.33 -0.04 7.28 7.03 2pm9A1 PHE 116 HE2 -0.08 -0.01 -0.06 -0.04 7.38 7.19 2pm9A1 PHE 116 HZ -0.12 -0.04 -0.16 -0.04 7.32 6.96 2pm9A1 ASN 117 H -0.50 0.61 0.19 -0.55 8.53 8.29 2pm9A1 ASN 117 HA -0.78 -0.02 0.44 -0.75 4.76 3.65 2pm9A1 ASN 117 HB2 -1.97 -0.02 0.00 -0.04 2.88 0.85 2pm9A1 ASN 117 HB3 -0.68 0.08 0.06 -0.04 2.79 2.22 2pm9A1 ASN 117 HD21 -0.38 -0.12 0.16 -0.04 7.03 6.65 2pm9A1 ASN 117 HD22 -0.61 -0.07 0.06 -0.04 7.74 7.08 2pm9A1 ALA 118 H -0.22 0.10 0.13 -0.55 8.40 7.86 2pm9A1 ALA 118 HA 0.07 0.08 0.44 -0.75 4.34 4.17 2pm9A1 ALA 118 HB3 0.06 -0.00 0.10 -0.04 1.41 1.52 2pm9A1 LYS 119 H -0.10 0.09 0.04 -0.55 8.42 7.90 2pm9A1 LYS 119 HA -0.05 0.10 0.57 -0.75 4.32 4.19 2pm9A1 LYS 119 HB2 -0.06 -0.09 0.08 -0.04 1.87 1.76 2pm9A1 LYS 119 HB3 -0.04 0.00 0.01 -0.04 1.79 1.73 2pm9A1 LYS 119 HG2 -0.01 0.09 -0.03 -0.04 1.46 1.47 2pm9A1 LYS 119 HG3 -0.02 0.04 -0.09 -0.04 1.46 1.36 2pm9A1 LYS 119 HD2 -0.00 -0.29 -0.18 -0.04 1.69 1.17 2pm9A1 LYS 119 HD3 -0.01 0.01 -0.05 -0.04 1.68 1.59 2pm9A1 LYS 119 HE2 0.01 0.06 -0.07 -0.04 2.99 2.95 2pm9A1 LYS 119 HE3 0.01 0.04 -0.26 -0.04 2.99 2.75 2pm9A1 GLN 120 H -0.07 0.13 0.14 -0.55 8.47 8.13 2pm9A1 GLN 120 HA -0.07 0.01 0.36 -0.75 4.36 3.90 2pm9A1 GLN 120 HB2 -0.08 -0.07 -0.38 -0.04 2.15 1.57 2pm9A1 GLN 120 HB3 -0.15 0.13 0.39 -0.04 2.02 2.34 2pm9A1 GLN 120 HG2 -0.04 0.05 0.02 -0.04 2.40 2.39 2pm9A1 GLN 120 HG3 -0.05 -0.09 0.05 -0.04 2.39 2.26 2pm9A1 GLN 120 HE21 -0.01 0.03 0.00 -0.04 6.97 6.95 2pm9A1 GLN 120 HE22 -0.02 -0.02 0.00 -0.04 7.69 7.61 2pm9A1 ASP 121 H -0.10 0.10 0.04 -0.55 8.40 7.89 2pm9A1 ASP 121 HA -0.26 0.46 0.32 -0.75 4.63 4.40 2pm9A1 ASP 121 HB2 -0.15 -0.12 0.21 -0.04 2.71 2.62 2pm9A1 ASP 121 HB3 -0.09 0.17 0.22 -0.04 2.70 2.97 2pm9A1 ASN 122 H -0.09 -0.01 -1.05 -0.55 8.53 6.83 2pm9A1 ASN 122 HA -0.04 0.18 0.72 -0.75 4.76 4.87 2pm9A1 ASN 122 HB2 -0.02 -0.17 0.10 -0.04 2.88 2.76 2pm9A1 ASN 122 HB3 -0.04 0.02 -0.03 -0.04 2.79 2.70 2pm9A1 ASN 122 HD21 0.00 0.07 -0.08 -0.04 7.03 6.98 2pm9A1 ASN 122 HD22 0.01 -0.23 -0.04 -0.04 7.74 7.43 2pm9A1 VAL 123 H -0.13 0.52 0.02 -0.55 8.24 8.10 2pm9A1 VAL 123 HA 0.03 0.28 1.09 -0.75 4.13 4.78 2pm9A1 VAL 123 HB -0.39 0.05 0.17 -0.04 2.12 1.90 2pm9A1 VAL 123 HG13 0.03 0.03 -0.03 -0.04 0.97 0.96 2pm9A1 VAL 123 HG23 -0.04 -0.03 -0.01 -0.04 0.95 0.84 2pm9A1 LEU 124 H 0.14 0.39 0.32 -0.55 8.37 8.67 2pm9A1 LEU 124 HA -0.17 0.21 0.99 -0.75 4.35 4.63 2pm9A1 LEU 124 HB2 -0.22 0.00 -0.13 -0.04 1.64 1.26 2pm9A1 LEU 124 HB3 0.21 -0.14 -0.01 -0.04 1.64 1.66 2pm9A1 LEU 124 HG -0.06 -0.01 0.01 -0.04 1.64 1.53 2pm9A1 LEU 124 HD13 -1.51 0.12 -0.21 -0.04 0.93 -0.72 2pm9A1 LEU 124 HD23 -0.52 -0.01 -0.17 -0.04 0.89 0.15 2pm9A1 ALA 125 H 0.03 0.25 0.23 -0.55 8.40 8.36 2pm9A1 ALA 125 HA 0.09 0.42 0.81 -0.75 4.34 4.91 2pm9A1 ALA 125 HB3 -0.12 -0.01 -0.05 -0.04 1.41 1.20 2pm9A1 SER 126 H -0.01 0.45 0.31 -0.55 8.46 8.66 2pm9A1 SER 126 HA 0.05 0.46 0.88 -0.75 4.49 5.14 2pm9A1 SER 126 HB2 0.28 0.01 -0.05 -0.04 3.95 4.15 2pm9A1 SER 126 HB3 0.26 0.02 -0.13 -0.04 3.93 4.04 2pm9A1 GLY 127 H 0.02 0.34 0.27 -0.55 8.43 8.51 2pm9A1 GLY 127 HA2 -0.15 0.43 1.17 -0.51 4.01 4.95 2pm9A1 GLY 127 HA3 -0.08 0.04 0.39 -0.51 4.01 3.85 2pm9A1 GLY 128 H -0.33 0.75 0.29 -0.55 8.43 8.59 2pm9A1 GLY 128 HA2 -0.26 0.25 0.84 -0.51 4.01 4.32 2pm9A1 GLY 128 HA3 -0.59 -0.07 0.45 -0.51 4.01 3.29 2pm9A1 ASN 129 H -0.20 0.24 0.20 -0.55 8.53 8.23 2pm9A1 ASN 129 HA -0.07 0.19 0.80 -0.75 4.76 4.93 2pm9A1 ASN 129 HB2 -0.07 0.09 0.15 -0.04 2.88 3.01 2pm9A1 ASN 129 HB3 -0.04 0.06 0.02 -0.04 2.79 2.78 2pm9A1 ASN 129 HD21 -0.01 0.01 0.03 -0.04 7.03 7.02 2pm9A1 ASN 129 HD22 -0.02 0.02 0.06 -0.04 7.74 7.75 2pm9A1 ASN 130 H -0.13 0.10 0.10 -0.55 8.53 8.05 2pm9A1 ASN 130 HA -0.04 0.21 0.36 -0.75 4.76 4.53 2pm9A1 ASN 130 HB2 -0.05 0.05 0.13 -0.04 2.88 2.97 2pm9A1 ASN 130 HB3 -0.09 -0.07 0.05 -0.04 2.79 2.64 2pm9A1 ASN 130 HD21 -0.00 0.02 0.02 -0.04 7.03 7.02 2pm9A1 ASN 130 HD22 -0.01 -0.01 0.02 -0.04 7.74 7.69 2pm9A1 GLY 131 H -0.10 0.07 -1.43 -0.55 8.43 6.43 2pm9A1 GLY 131 HA2 -0.05 0.14 0.23 -0.51 4.01 3.82 2pm9A1 GLY 131 HA3 -0.03 0.07 0.57 -0.51 4.01 4.11 2pm9A1 GLU 132 H -0.21 -0.16 -0.38 -0.55 8.60 7.31 2pm9A1 GLU 132 HA -0.23 0.14 0.34 -0.75 4.29 3.79 2pm9A1 GLU 132 HB2 -0.66 -0.16 0.12 -0.04 2.09 1.35 2pm9A1 GLU 132 HB3 -0.79 0.13 -0.08 -0.04 1.99 1.21 2pm9A1 GLU 132 HG2 -0.16 0.17 -0.08 -0.04 2.34 2.23 2pm9A1 GLU 132 HG3 -0.21 -0.22 -0.07 -0.04 2.34 1.80 2pm9A1 ILE 133 H -0.21 0.23 0.19 -0.55 8.25 7.92 2pm9A1 ILE 133 HA -0.23 0.42 1.14 -0.75 4.18 4.76 2pm9A1 ILE 133 HB -0.33 -0.07 0.19 -0.04 1.89 1.63 2pm9A1 ILE 133 HG12 -0.22 0.06 -0.39 -0.04 1.49 0.90 2pm9A1 ILE 133 HG13 -0.47 -0.04 -0.01 -0.04 1.21 0.65 2pm9A1 ILE 133 HG23 -0.34 0.01 -0.13 -0.04 0.93 0.42 2pm9A1 ILE 133 HD13 -0.19 -0.00 -0.05 -0.04 0.88 0.60 2pm9A1 PHE 134 H -0.08 0.39 0.26 -0.55 8.34 8.36 2pm9A1 PHE 134 HA -0.32 0.54 1.10 -0.75 4.62 5.19 2pm9A1 PHE 134 HB2 -0.43 -0.09 -0.06 -0.04 3.15 2.53 2pm9A1 PHE 134 HB3 -1.08 -0.04 -0.10 -0.04 3.06 1.80 2pm9A1 PHE 134 HD2 -0.42 0.20 -0.32 -0.04 7.28 6.69 2pm9A1 PHE 134 HE2 -0.05 0.07 -0.25 -0.04 7.38 7.11 2pm9A1 PHE 134 HZ 0.00 0.05 -0.09 -0.04 7.32 7.24 2pm9A1 ILE 135 H -0.36 0.33 0.20 -0.55 8.25 7.87 2pm9A1 ILE 135 HA -0.01 0.35 0.98 -0.75 4.18 4.74 2pm9A1 ILE 135 HB -0.04 -0.10 0.15 -0.04 1.89 1.86 2pm9A1 ILE 135 HG12 -0.02 0.10 -0.12 -0.04 1.49 1.40 2pm9A1 ILE 135 HG13 -0.08 -0.02 -0.44 -0.04 1.21 0.63 2pm9A1 ILE 135 HG23 0.16 0.03 -0.12 -0.04 0.93 0.96 2pm9A1 ILE 135 HD13 0.16 -0.01 -0.16 -0.04 0.88 0.83 2pm9A1 TRP 136 H 0.33 0.16 0.00 -0.55 7.97 7.91 2pm9A1 TRP 136 HA 0.14 0.20 0.83 -0.75 4.62 5.03 2pm9A1 TRP 136 HB2 -0.10 -0.02 -0.18 -0.04 3.23 2.89 2pm9A1 TRP 136 HB3 -0.01 0.05 -0.11 -0.04 3.23 3.12 2pm9A1 TRP 136 HD1 -0.11 -0.04 -0.25 -0.04 7.22 6.79 2pm9A1 TRP 136 HE1 -0.11 0.02 -0.28 -0.04 10.20 9.79 2pm9A1 TRP 136 HE3 0.12 0.04 -0.18 -0.04 7.59 7.53 2pm9A1 TRP 136 HZ2 -0.17 -0.02 -0.18 -0.04 7.44 7.02 2pm9A1 TRP 136 HZ3 0.10 0.17 -0.08 -0.04 7.13 7.28 2pm9A1 TRP 136 HH2 0.00 -0.16 -0.06 -0.04 7.19 6.93 2pm9A1 ASP 137 H 0.29 0.22 0.03 -0.55 8.40 8.40 2pm9A1 ASP 137 HA 0.08 0.28 0.82 -0.75 4.63 5.05 2pm9A1 ASP 137 HB2 0.11 0.11 0.05 -0.04 2.71 2.93 2pm9A1 ASP 137 HB3 0.08 -0.01 0.17 -0.04 2.70 2.90 2pm9A1 MET 138 H 0.06 0.98 0.22 -0.55 8.47 9.18 2pm9A1 MET 138 HA -0.05 -0.03 0.22 -0.75 4.52 3.91 2pm9A1 MET 138 HB2 0.08 0.15 0.03 -0.04 2.15 2.38 2pm9A1 MET 138 HB3 -0.01 -0.00 -0.01 -0.04 2.03 1.97 2pm9A1 MET 138 HG2 0.05 0.05 -0.05 -0.04 2.63 2.64 2pm9A1 MET 138 HG3 -0.02 -0.00 0.03 -0.04 2.56 2.52 2pm9A1 MET 138 HE3 0.12 0.00 -0.22 -0.04 2.10 1.97 2pm9A1 ASN 139 H -0.02 0.06 -0.52 -0.55 8.53 7.50 2pm9A1 ASN 139 HA -0.03 0.15 0.54 -0.75 4.76 4.67 2pm9A1 ASN 139 HB2 -0.01 -0.04 0.06 -0.04 2.88 2.85 2pm9A1 ASN 139 HB3 -0.02 0.05 -0.02 -0.04 2.79 2.76 2pm9A1 ASN 139 HD21 -0.02 -0.00 -0.02 -0.04 7.03 6.94 2pm9A1 ASN 139 HD22 -0.01 0.01 -0.01 -0.04 7.74 7.70 2pm9A1 LYS 140 H -0.06 0.21 -0.02 -0.55 8.42 7.99 2pm9A1 LYS 140 HA -0.06 0.16 0.74 -0.75 4.32 4.40 2pm9A1 LYS 140 HB2 -0.05 0.03 0.11 -0.04 1.87 1.92 2pm9A1 LYS 140 HB3 -0.02 0.02 0.18 -0.04 1.79 1.93 2pm9A1 LYS 140 HG2 -0.00 0.05 -0.04 -0.04 1.46 1.43 2pm9A1 LYS 140 HG3 -0.01 -0.13 -0.08 -0.04 1.46 1.19 2pm9A1 LYS 140 HD2 0.05 0.00 0.03 -0.04 1.69 1.72 2pm9A1 LYS 140 HD3 0.04 0.03 0.02 -0.04 1.68 1.73 2pm9A1 LYS 140 HE2 0.02 0.02 -0.02 -0.04 2.99 2.97 2pm9A1 LYS 140 HE3 0.01 -0.04 -0.02 -0.04 2.99 2.90 2pm9A1 CYS 141 H -0.14 0.18 -0.70 -0.55 8.50 7.29 2pm9A1 CYS 141 HA -0.60 0.16 0.68 -0.75 4.58 4.06 2pm9A1 CYS 141 HB2 -0.22 0.08 -0.30 -0.04 2.97 2.49 2pm9A1 CYS 141 HB3 -0.13 0.07 -0.06 -0.04 2.97 2.81 2pm9A1 THR 142 H -0.05 0.27 -0.04 -0.55 8.28 7.90 2pm9A1 THR 142 HA 0.04 0.02 0.33 -0.75 4.39 4.02 2pm9A1 THR 142 HB -0.02 0.05 0.01 -0.04 4.32 4.32 2pm9A1 THR 142 HG23 -0.01 -0.01 0.03 -0.04 1.22 1.19 2pm9A1 GLU 143 H -0.05 -0.06 -0.76 -0.55 8.60 7.18 2pm9A1 GLU 143 HA -0.01 0.02 0.22 -0.75 4.29 3.76 2pm9A1 GLU 143 HB2 -0.04 -0.05 -0.06 -0.04 2.09 1.90 2pm9A1 GLU 143 HB3 -0.02 -0.01 -0.03 -0.04 1.99 1.88 2pm9A1 GLU 143 HG2 0.02 -0.03 -0.04 -0.04 2.34 2.26 2pm9A1 GLU 143 HG3 0.00 0.00 -0.06 -0.04 2.34 2.25 2pm9A1 SER 144 H 0.03 0.17 -0.07 -0.55 8.46 8.03 2pm9A1 SER 144 HA -0.01 0.34 1.02 -0.75 4.49 5.08 2pm9A1 SER 144 HB2 0.02 -0.07 0.07 -0.04 3.95 3.93 2pm9A1 SER 144 HB3 0.01 0.08 -0.06 -0.04 3.93 3.92 2pm9A1 PRO 145 HA -0.31 0.07 0.39 -0.51 4.44 4.08 2pm9A1 PRO 145 HB2 -0.19 0.03 -0.00 -0.04 2.28 2.08 2pm9A1 PRO 145 HB3 -0.50 0.11 0.14 -0.04 2.02 1.73 2pm9A1 PRO 145 HG2 -0.17 0.04 0.08 -0.04 2.03 1.94 2pm9A1 PRO 145 HG3 -0.27 0.03 0.03 -0.04 2.03 1.78 2pm9A1 PRO 145 HD2 -0.07 0.07 0.19 -0.04 3.68 3.83 2pm9A1 PRO 145 HD3 -0.07 0.40 0.05 -0.04 3.65 4.00 2pm9A1 SER 146 H -0.02 -0.01 -0.79 -0.55 8.46 7.09 2pm9A1 SER 146 HA -0.01 0.02 0.28 -0.75 4.49 4.04 2pm9A1 SER 146 HB2 0.02 0.03 -0.03 -0.04 3.95 3.93 2pm9A1 SER 146 HB3 0.02 -0.02 0.03 -0.04 3.93 3.92 2pm9A1 ASN 147 H 0.10 -0.29 -0.31 -0.55 8.53 7.49 2pm9A1 ASN 147 HA 0.10 0.06 0.36 -0.75 4.76 4.53 2pm9A1 ASN 147 HB2 0.03 0.37 0.32 -0.04 2.88 3.57 2pm9A1 ASN 147 HB3 0.04 -0.11 -0.12 -0.04 2.79 2.56 2pm9A1 ASN 147 HD21 0.03 -0.02 0.05 -0.04 7.03 7.04 2pm9A1 ASN 147 HD22 0.02 -0.03 0.03 -0.04 7.74 7.71 2pm9A1 TYR 148 H 0.25 0.00 0.02 -0.55 8.29 8.02 2pm9A1 TYR 148 HA 0.09 -0.03 0.37 -0.75 4.56 4.24 2pm9A1 TYR 148 HB2 0.19 0.10 0.15 -0.04 3.06 3.45 2pm9A1 TYR 148 HB3 0.45 -0.04 0.05 -0.04 2.98 3.39 2pm9A1 TYR 148 HD2 0.32 -0.04 -0.07 -0.04 7.15 7.32 2pm9A1 TYR 148 HE2 0.21 -0.09 -0.08 -0.04 6.85 6.85 2pm9A1 THR 149 H -0.45 0.06 0.17 -0.55 8.28 7.52 2pm9A1 THR 149 HA -0.37 0.27 1.10 -0.75 4.39 4.64 2pm9A1 THR 149 HB -0.28 -0.08 0.20 -0.04 4.32 4.12 2pm9A1 THR 149 HG23 -0.29 0.06 -0.00 -0.04 1.22 0.94 2pm9A1 PRO 150 HA -0.47 0.08 0.47 -0.51 4.44 4.02 2pm9A1 PRO 150 HB2 -1.16 -0.12 -0.09 -0.04 2.28 0.86 2pm9A1 PRO 150 HB3 -1.44 -0.06 -0.13 -0.04 2.02 0.35 2pm9A1 PRO 150 HG2 -1.59 0.07 -0.13 -0.04 2.03 0.35 2pm9A1 PRO 150 HG3 -1.75 -0.05 -0.07 -0.04 2.03 0.12 2pm9A1 PRO 150 HD2 -0.60 0.13 0.24 -0.04 3.68 3.41 2pm9A1 PRO 150 HD3 -0.42 0.23 0.10 -0.04 3.65 3.52 2pm9A1 LEU 151 H -0.33 0.35 0.28 -0.55 8.37 8.12 2pm9A1 LEU 151 HA -0.25 0.24 0.93 -0.75 4.35 4.52 2pm9A1 LEU 151 HB2 -0.09 0.01 0.07 -0.04 1.64 1.59 2pm9A1 LEU 151 HB3 -0.08 -0.03 0.12 -0.04 1.64 1.61 2pm9A1 LEU 151 HG -0.02 0.04 -0.21 -0.04 1.64 1.41 2pm9A1 LEU 151 HD13 -0.05 -0.07 0.16 -0.04 0.93 0.93 2pm9A1 LEU 151 HD23 0.03 -0.01 -0.00 -0.04 0.89 0.87 2pm9A1 THR 152 H -0.10 0.25 0.21 -0.55 8.28 8.09 2pm9A1 THR 152 HA -0.01 0.32 0.92 -0.75 4.39 4.86 2pm9A1 THR 152 HB -0.03 0.01 0.05 -0.04 4.32 4.30 2pm9A1 THR 152 HG23 0.04 -0.01 -0.14 -0.04 1.22 1.07 2pm9A1 PRO 153 HA 0.13 0.16 0.60 -0.51 4.44 4.82 2pm9A1 PRO 153 HB2 -0.11 -0.07 -0.01 -0.04 2.28 2.04 2pm9A1 PRO 153 HB3 0.30 0.01 -0.09 -0.04 2.02 2.20 2pm9A1 PRO 153 HG2 -0.39 0.02 -0.07 -0.04 2.03 1.55 2pm9A1 PRO 153 HG3 0.03 0.05 -0.18 -0.04 2.03 1.89 2pm9A1 PRO 153 HD2 -0.23 0.02 0.24 -0.04 3.68 3.67 2pm9A1 PRO 153 HD3 -0.07 0.33 0.21 -0.04 3.65 4.07 2pm9A1 GLY 154 H 0.10 0.05 0.06 -0.55 8.43 8.10 2pm9A1 GLY 154 HA2 0.18 -0.04 0.34 -0.51 4.01 3.98 2pm9A1 GLY 154 HA3 0.13 0.18 0.36 -0.51 4.01 4.17 2pm9A1 GLN 155 H 0.32 0.17 0.10 -0.55 8.47 8.51 2pm9A1 GLN 155 HA 0.03 0.10 0.43 -0.75 4.36 4.17 2pm9A1 GLN 155 HB2 -0.23 -0.26 -0.20 -0.04 2.15 1.43 2pm9A1 GLN 155 HB3 -0.22 0.03 -0.09 -0.04 2.02 1.69 2pm9A1 GLN 155 HG2 0.03 0.98 0.42 -0.04 2.40 3.80 2pm9A1 GLN 155 HG3 -0.13 -0.00 0.09 -0.04 2.39 2.30 2pm9A1 GLN 155 HE21 -0.09 -0.06 0.04 -0.04 6.97 6.83 2pm9A1 GLN 155 HE22 -0.12 0.16 0.03 -0.04 7.69 7.73 2pm9A1 SER 156 H -0.07 0.17 0.10 -0.55 8.46 8.11 2pm9A1 SER 156 HA -0.10 0.03 0.41 -0.75 4.49 4.09 2pm9A1 SER 156 HB2 -0.29 -0.03 -0.23 -0.04 3.95 3.36 2pm9A1 SER 156 HB3 -0.04 -0.11 0.20 -0.04 3.93 3.93 2pm9A1 MET 157 H 0.05 0.19 0.23 -0.55 8.47 8.39 2pm9A1 MET 157 HA -0.03 0.21 1.22 -0.75 4.52 5.17 2pm9A1 MET 157 HB2 -0.14 -0.02 -0.05 -0.04 2.15 1.89 2pm9A1 MET 157 HB3 -0.09 -0.02 0.11 -0.04 2.03 2.00 2pm9A1 MET 157 HG2 -0.05 0.08 -0.17 -0.04 2.63 2.45 2pm9A1 MET 157 HG3 -0.11 0.03 0.02 -0.04 2.56 2.46 2pm9A1 MET 157 HE3 -0.12 0.01 -0.02 -0.04 2.10 1.92 2pm9A1 SER 158 H -0.01 0.26 0.19 -0.55 8.46 8.35 2pm9A1 SER 158 HA 0.02 0.12 0.63 -0.75 4.49 4.51 2pm9A1 SER 158 HB2 0.00 0.03 0.08 -0.04 3.95 4.02 2pm9A1 SER 158 HB3 0.04 0.06 -0.11 -0.04 3.93 3.87 2pm9A1 SER 159 H -0.01 0.22 -0.08 -0.55 8.46 8.05 2pm9A1 SER 159 HA -0.01 0.09 0.39 -0.75 4.49 4.21 2pm9A1 SER 159 HB2 -0.00 0.04 0.05 -0.04 3.95 4.00 2pm9A1 SER 159 HB3 -0.01 0.28 0.26 -0.04 3.93 4.42 2pm9A1 VAL 160 H -0.01 -0.19 0.19 -0.55 8.24 7.69 2pm9A1 VAL 160 HA -0.02 0.14 0.44 -0.75 4.13 3.94 2pm9A1 VAL 160 HB -0.01 0.06 -0.19 -0.04 2.12 1.95 2pm9A1 VAL 160 HG13 -0.00 -0.02 -0.15 -0.04 0.97 0.76 2pm9A1 VAL 160 HG23 -0.01 -0.00 0.08 -0.04 0.95 0.97 2pm9A1 ASP 161 H -0.00 -0.23 0.14 -0.55 8.40 7.76 2pm9A1 ASP 161 HA 0.01 0.09 0.56 -0.75 4.63 4.52 2pm9A1 ASP 161 HB2 0.01 0.01 0.06 -0.04 2.71 2.75 2pm9A1 ASP 161 HB3 0.01 0.02 0.11 -0.04 2.70 2.80 2pm9A1 GLU 162 H -0.00 0.14 0.26 -0.55 8.60 8.45 2pm9A1 GLU 162 HA -0.05 0.12 0.94 -0.75 4.29 4.55 2pm9A1 GLU 162 HB2 -0.04 0.14 -0.20 -0.04 2.09 1.95 2pm9A1 GLU 162 HB3 -0.03 -0.07 0.09 -0.04 1.99 1.93 2pm9A1 GLU 162 HG2 0.00 -0.06 0.15 -0.04 2.34 2.40 2pm9A1 GLU 162 HG3 0.01 -0.00 -0.05 -0.04 2.34 2.26 2pm9A1 VAL 163 H -0.06 0.18 0.13 -0.55 8.24 7.95 2pm9A1 VAL 163 HA 0.01 0.05 0.38 -0.75 4.13 3.81 2pm9A1 VAL 163 HB -0.07 -0.13 0.17 -0.04 2.12 2.04 2pm9A1 VAL 163 HG13 -0.02 -0.05 -0.07 -0.04 0.97 0.80 2pm9A1 VAL 163 HG23 -0.05 -0.00 -0.07 -0.04 0.95 0.78 2pm9A1 ILE 164 H 0.03 0.49 0.55 -0.55 8.25 8.76 2pm9A1 ILE 164 HA 0.03 0.09 0.87 -0.75 4.18 4.42 2pm9A1 ILE 164 HB 0.06 -0.01 0.20 -0.04 1.89 2.10 2pm9A1 ILE 164 HG12 0.04 -0.06 0.34 -0.04 1.49 1.77 2pm9A1 ILE 164 HG13 0.05 0.18 -0.02 -0.04 1.21 1.37 2pm9A1 ILE 164 HG23 0.03 0.08 -0.15 -0.04 0.93 0.85 2pm9A1 ILE 164 HD13 0.04 0.02 -0.03 -0.04 0.88 0.86 2pm9A1 SER 165 H 0.03 0.11 0.03 -0.55 8.46 8.10 2pm9A1 SER 165 HA 0.07 0.05 0.67 -0.75 4.49 4.52 2pm9A1 SER 165 HB2 0.06 0.28 -0.00 -0.04 3.95 4.25 2pm9A1 SER 165 HB3 0.06 -0.05 0.12 -0.04 3.93 4.02 2pm9A1 LEU 166 H 0.06 0.21 0.14 -0.55 8.37 8.23 2pm9A1 LEU 166 HA 0.01 0.38 0.96 -0.75 4.35 4.94 2pm9A1 LEU 166 HB2 -0.01 -0.05 -0.09 -0.04 1.64 1.45 2pm9A1 LEU 166 HB3 -0.21 -0.01 -0.12 -0.04 1.64 1.26 2pm9A1 LEU 166 HG -0.05 -0.08 -0.41 -0.04 1.64 1.05 2pm9A1 LEU 166 HD13 -0.13 -0.02 -0.55 -0.04 0.93 0.19 2pm9A1 LEU 166 HD23 -0.25 0.07 -0.06 -0.04 0.89 0.61 2pm9A1 ALA 167 H 0.09 0.36 0.24 -0.55 8.40 8.54 2pm9A1 ALA 167 HA 0.25 0.06 0.65 -0.75 4.34 4.55 2pm9A1 ALA 167 HB3 0.37 0.04 -0.00 -0.04 1.41 1.77 2pm9A1 TRP 168 H 0.38 0.16 0.11 -0.55 7.97 8.08 2pm9A1 TRP 168 HA 0.07 0.11 0.93 -0.75 4.62 4.97 2pm9A1 TRP 168 HB2 -0.01 -0.01 0.06 -0.04 3.23 3.22 2pm9A1 TRP 168 HB3 -0.10 0.14 0.08 -0.04 3.23 3.31 2pm9A1 TRP 168 HD1 0.01 0.17 0.06 -0.04 7.22 7.42 2pm9A1 TRP 168 HE1 0.12 0.08 -0.13 -0.04 10.20 10.23 2pm9A1 TRP 168 HE3 -0.03 -0.01 -0.44 -0.04 7.59 7.07 2pm9A1 TRP 168 HZ2 -0.15 0.01 -0.12 -0.04 7.44 7.13 2pm9A1 TRP 168 HZ3 -0.13 0.33 -0.50 -0.04 7.13 6.79 2pm9A1 TRP 168 HH2 -0.19 0.26 -0.86 -0.04 7.19 6.37 2pm9A1 ASN 169 H -0.00 0.62 0.37 -0.55 8.53 8.96 2pm9A1 ASN 169 HA -1.54 0.09 0.58 -0.75 4.76 3.14 2pm9A1 ASN 169 HB2 -0.94 0.01 0.02 -0.04 2.88 1.93 2pm9A1 ASN 169 HB3 -0.23 0.28 0.28 -0.04 2.79 3.08 2pm9A1 ASN 169 HD21 -0.10 0.06 -0.05 -0.04 7.03 6.90 2pm9A1 ASN 169 HD22 -0.48 -0.07 0.19 -0.04 7.74 7.34 2pm9A1 GLN 170 H -0.16 0.28 0.05 -0.55 8.47 8.10 2pm9A1 GLN 170 HA 0.00 0.11 0.69 -0.75 4.36 4.41 2pm9A1 GLN 170 HB2 0.05 0.11 -0.03 -0.04 2.15 2.24 2pm9A1 GLN 170 HB3 0.09 0.07 -0.09 -0.04 2.02 2.04 2pm9A1 GLN 170 HG2 0.17 0.07 0.06 -0.04 2.40 2.66 2pm9A1 GLN 170 HG3 0.10 -0.04 0.10 -0.04 2.39 2.50 2pm9A1 GLN 170 HE21 0.13 -0.03 -0.00 -0.04 6.97 7.02 2pm9A1 GLN 170 HE22 0.06 0.07 0.01 -0.04 7.69 7.79 2pm9A1 SER 171 H -0.08 -0.14 -0.39 -0.55 8.46 7.30 2pm9A1 SER 171 HA 0.02 0.22 0.69 -0.75 4.49 4.67 2pm9A1 SER 171 HB2 0.04 0.30 -0.31 -0.04 3.95 3.94 2pm9A1 SER 171 HB3 0.02 -0.14 -0.16 -0.04 3.93 3.61 2pm9A1 LEU 172 H -0.04 0.08 -0.22 -0.55 8.37 7.64 2pm9A1 LEU 172 HA 0.04 0.15 0.62 -0.75 4.35 4.41 2pm9A1 LEU 172 HB2 0.03 -0.06 0.20 -0.04 1.64 1.78 2pm9A1 LEU 172 HB3 0.14 -0.00 0.15 -0.04 1.64 1.88 2pm9A1 LEU 172 HG 0.02 -0.12 -0.46 -0.04 1.64 1.04 2pm9A1 LEU 172 HD13 0.11 0.01 0.01 -0.04 0.93 1.02 2pm9A1 LEU 172 HD23 0.05 0.15 0.10 -0.04 0.89 1.15 2pm9A1 ALA 173 H 0.03 0.22 0.06 -0.55 8.40 8.17 2pm9A1 ALA 173 HA 0.00 0.13 0.42 -0.75 4.34 4.14 2pm9A1 ALA 173 HB3 -0.04 0.01 0.01 -0.04 1.41 1.35 2pm9A1 HIS 174 H 0.20 -0.16 -1.01 -0.55 8.41 6.90 2pm9A1 HIS 174 HA 0.13 0.04 0.39 -0.75 4.63 4.44 2pm9A1 HIS 174 HB2 0.05 -0.02 0.05 -0.04 3.26 3.30 2pm9A1 HIS 174 HB3 0.05 0.03 0.05 -0.04 3.20 3.28 2pm9A1 HIS 174 HD2 0.08 0.03 0.10 -0.04 6.97 7.13 2pm9A1 HIS 174 HE1 0.04 0.07 -0.01 -0.04 7.75 7.81 2pm9A1 VAL 175 H 0.11 0.46 0.03 -0.55 8.24 8.30 2pm9A1 VAL 175 HA 0.01 0.35 1.21 -0.75 4.13 4.95 2pm9A1 VAL 175 HB -0.25 -0.06 0.04 -0.04 2.12 1.81 2pm9A1 VAL 175 HG13 0.19 0.07 -0.03 -0.04 0.97 1.15 2pm9A1 VAL 175 HG23 -0.08 -0.03 -0.07 -0.04 0.95 0.72 2pm9A1 PHE 176 H -0.12 0.47 0.37 -0.55 8.34 8.51 2pm9A1 PHE 176 HA -0.13 0.06 0.59 -0.75 4.62 4.38 2pm9A1 PHE 176 HB2 -0.77 0.11 0.08 -0.04 3.15 2.52 2pm9A1 PHE 176 HB3 -1.36 0.04 -0.21 -0.04 3.06 1.48 2pm9A1 PHE 176 HD2 -0.24 0.06 -0.24 -0.04 7.28 6.81 2pm9A1 PHE 176 HE2 -0.43 0.00 -0.22 -0.04 7.38 6.69 2pm9A1 PHE 176 HZ -0.77 -0.01 -0.17 -0.04 7.32 6.33 2pm9A1 ALA 177 H 0.51 0.64 0.35 -0.55 8.40 9.35 2pm9A1 ALA 177 HA 0.40 0.23 1.09 -0.75 4.34 5.31 2pm9A1 ALA 177 HB3 0.26 -0.01 -0.10 -0.04 1.41 1.52 2pm9A1 SER 178 H 0.40 0.60 0.36 -0.55 8.46 9.27 2pm9A1 SER 178 HA 0.16 0.26 0.97 -0.75 4.49 5.13 2pm9A1 SER 178 HB2 0.64 -0.08 0.14 -0.04 3.95 4.60 2pm9A1 SER 178 HB3 0.21 0.01 0.01 -0.04 3.93 4.12 2pm9A1 ALA 179 H 0.08 0.36 0.32 -0.55 8.40 8.61 2pm9A1 ALA 179 HA 0.06 0.10 0.73 -0.75 4.34 4.48 2pm9A1 ALA 179 HB3 0.04 0.07 -0.32 -0.04 1.41 1.15 2pm9A1 GLY 180 H 0.04 0.22 0.08 -0.55 8.43 8.23 2pm9A1 GLY 180 HA2 0.04 0.15 0.94 -0.51 4.01 4.62 2pm9A1 GLY 180 HA3 0.03 -0.07 0.34 -0.51 4.01 3.80 2pm9A1 SER 181 H 0.03 0.05 0.14 -0.55 8.46 8.13 2pm9A1 SER 181 HA 0.03 0.25 0.85 -0.75 4.49 4.87 2pm9A1 SER 181 HB2 0.03 -0.05 0.03 -0.04 3.95 3.92 2pm9A1 SER 181 HB3 0.03 0.02 0.14 -0.04 3.93 4.08 2pm9A1 SER 182 H 0.05 -0.00 0.03 -0.55 8.46 7.99 2pm9A1 SER 182 HA 0.07 0.20 0.70 -0.75 4.49 4.71 2pm9A1 SER 182 HB2 0.13 0.01 0.12 -0.04 3.95 4.17 2pm9A1 SER 182 HB3 0.06 -0.02 0.07 -0.04 3.93 3.99 2pm9A1 ASN 183 H 0.21 0.17 0.10 -0.55 8.53 8.46 2pm9A1 ASN 183 HA -0.04 0.07 0.63 -0.75 4.76 4.66 2pm9A1 ASN 183 HB2 -0.31 -0.00 0.08 -0.04 2.88 2.61 2pm9A1 ASN 183 HB3 -0.13 0.21 0.06 -0.04 2.79 2.89 2pm9A1 ASN 183 HD21 0.04 -0.01 -0.05 -0.04 7.03 6.97 2pm9A1 ASN 183 HD22 -0.00 0.09 -0.24 -0.04 7.74 7.55 2pm9A1 PHE 184 H 0.16 0.02 -0.77 -0.55 8.34 7.20 2pm9A1 PHE 184 HA -0.23 0.43 1.05 -0.75 4.62 5.12 2pm9A1 PHE 184 HB2 -0.24 -0.11 0.01 -0.04 3.15 2.76 2pm9A1 PHE 184 HB3 -0.66 0.05 -0.10 -0.04 3.06 2.32 2pm9A1 PHE 184 HD2 -0.71 -0.14 -0.19 -0.04 7.28 6.21 2pm9A1 PHE 184 HE2 -0.03 -0.02 -0.07 -0.04 7.38 7.22 2pm9A1 PHE 184 HZ -0.03 -0.01 -0.05 -0.04 7.32 7.19 2pm9A1 ALA 185 H -0.22 0.58 0.19 -0.55 8.40 8.41 2pm9A1 ALA 185 HA -0.03 0.23 0.85 -0.75 4.34 4.64 2pm9A1 ALA 185 HB3 -0.23 -0.02 0.01 -0.04 1.41 1.12 2pm9A1 SER 186 H 0.09 0.70 0.35 -0.55 8.46 9.06 2pm9A1 SER 186 HA -0.12 0.29 1.14 -0.75 4.49 5.04 2pm9A1 SER 186 HB2 0.50 -0.03 0.16 -0.04 3.95 4.54 2pm9A1 SER 186 HB3 -0.39 -0.03 -0.04 -0.04 3.93 3.43 2pm9A1 ILE 187 H -0.40 0.40 0.36 -0.55 8.25 8.06 2pm9A1 ILE 187 HA -0.06 0.27 0.90 -0.75 4.18 4.54 2pm9A1 ILE 187 HB -0.24 -0.10 0.21 -0.04 1.89 1.72 2pm9A1 ILE 187 HG12 -0.27 0.01 -0.21 -0.04 1.49 0.98 2pm9A1 ILE 187 HG13 -0.23 -0.03 -0.11 -0.04 1.21 0.80 2pm9A1 ILE 187 HG23 -0.03 -0.01 -0.20 -0.04 0.93 0.65 2pm9A1 ILE 187 HD13 -0.26 0.03 -0.12 -0.04 0.88 0.50 2pm9A1 TRP 188 H -0.06 0.84 0.34 -0.55 7.97 8.55 2pm9A1 TRP 188 HA -0.26 0.18 1.16 -0.75 4.62 4.94 2pm9A1 TRP 188 HB2 -2.02 -0.04 -0.05 -0.04 3.23 1.08 2pm9A1 TRP 188 HB3 -0.67 0.05 -0.23 -0.04 3.23 2.34 2pm9A1 TRP 188 HD1 -0.41 0.12 -0.29 -0.04 7.22 6.60 2pm9A1 TRP 188 HE1 -0.03 -0.02 -0.08 -0.04 10.20 10.03 2pm9A1 TRP 188 HE3 -0.12 0.06 -0.30 -0.04 7.59 7.18 2pm9A1 TRP 188 HZ2 -0.00 0.07 -0.02 -0.04 7.44 7.45 2pm9A1 TRP 188 HZ3 -0.03 -0.00 -0.33 -0.04 7.13 6.73 2pm9A1 TRP 188 HH2 -0.01 -0.01 0.04 -0.04 7.19 7.16 2pm9A1 ASP 189 H -0.07 0.50 0.14 -0.55 8.40 8.42 2pm9A1 ASP 189 HA -0.22 0.13 0.75 -0.75 4.63 4.54 2pm9A1 ASP 189 HB2 -0.11 0.04 0.00 -0.04 2.71 2.60 2pm9A1 ASP 189 HB3 -0.06 0.16 0.09 -0.04 2.70 2.85 2pm9A1 LEU 190 H -0.07 0.54 0.27 -0.55 8.37 8.56 2pm9A1 LEU 190 HA 0.13 0.18 0.87 -0.75 4.35 4.77 2pm9A1 LEU 190 HB2 0.23 0.15 0.18 -0.04 1.64 2.16 2pm9A1 LEU 190 HB3 0.19 -0.01 0.08 -0.04 1.64 1.86 2pm9A1 LEU 190 HG 0.25 -0.05 -0.24 -0.04 1.64 1.56 2pm9A1 LEU 190 HD13 0.50 0.03 -0.09 -0.04 0.93 1.33 2pm9A1 LEU 190 HD23 0.25 -0.00 -0.11 -0.04 0.89 0.99 2pm9A1 LYS 191 H 0.15 0.06 0.05 -0.55 8.42 8.12 2pm9A1 LYS 191 HA 0.15 0.20 0.66 -0.75 4.32 4.57 2pm9A1 LYS 191 HB2 0.83 -0.06 0.09 -0.04 1.87 2.69 2pm9A1 LYS 191 HB3 0.17 0.06 0.03 -0.04 1.79 2.01 2pm9A1 LYS 191 HG2 0.09 0.06 0.04 -0.04 1.46 1.61 2pm9A1 LYS 191 HG3 0.27 -0.04 -0.02 -0.04 1.46 1.63 2pm9A1 LYS 191 HD2 -0.74 -0.04 0.02 -0.04 1.69 0.88 2pm9A1 LYS 191 HD3 -0.11 0.03 0.01 -0.04 1.68 1.58 2pm9A1 LYS 191 HE2 -0.03 0.03 -0.00 -0.04 2.99 2.95 2pm9A1 LYS 191 HE3 -0.03 -0.02 -0.02 -0.04 2.99 2.88 2pm9A1 ALA 192 H 0.07 -0.06 -0.30 -0.55 8.40 7.57 2pm9A1 ALA 192 HA 0.05 0.16 0.59 -0.75 4.34 4.39 2pm9A1 ALA 192 HB3 0.02 0.01 -0.01 -0.04 1.41 1.38 2pm9A1 LYS 193 H 0.08 -0.14 -0.89 -0.55 8.42 6.92 2pm9A1 LYS 193 HA 0.11 -0.04 0.37 -0.75 4.32 4.00 2pm9A1 LYS 193 HB2 0.05 0.03 -0.09 -0.04 1.87 1.82 2pm9A1 LYS 193 HB3 0.07 0.05 0.17 -0.04 1.79 2.04 2pm9A1 LYS 193 HG2 0.07 0.00 0.07 -0.04 1.46 1.56 2pm9A1 LYS 193 HG3 0.08 0.01 -0.21 -0.04 1.46 1.29 2pm9A1 LYS 193 HD2 0.04 -0.00 -0.08 -0.04 1.69 1.60 2pm9A1 LYS 193 HD3 0.04 -0.03 0.02 -0.04 1.68 1.66 2pm9A1 LYS 193 HE2 0.05 -0.04 0.03 -0.04 2.99 2.99 2pm9A1 LYS 193 HE3 0.06 0.07 0.02 -0.04 2.99 3.10 2pm9A1 LYS 194 H 0.14 0.28 0.02 -0.55 8.42 8.30 2pm9A1 LYS 194 HA 0.22 0.01 0.12 -0.75 4.32 3.92 2pm9A1 LYS 194 HB2 -0.03 -0.09 0.14 -0.04 1.87 1.84 2pm9A1 LYS 194 HB3 0.04 0.44 0.53 -0.04 1.79 2.76 2pm9A1 LYS 194 HG2 0.00 0.52 -0.31 -0.04 1.46 1.63 2pm9A1 LYS 194 HG3 -0.04 -0.23 -0.32 -0.04 1.46 0.83 2pm9A1 LYS 194 HD2 -0.09 0.14 -0.05 -0.04 1.69 1.65 2pm9A1 LYS 194 HD3 -0.03 -0.04 0.01 -0.04 1.68 1.57 2pm9A1 LYS 194 HE2 -0.02 0.01 -0.02 -0.04 2.99 2.92 2pm9A1 LYS 194 HE3 -0.05 -0.10 -0.07 -0.04 2.99 2.73 2pm9A1 GLU 195 H -0.32 0.11 -0.08 -0.55 8.60 7.76 2pm9A1 GLU 195 HA -1.13 0.13 0.53 -0.75 4.29 3.06 2pm9A1 GLU 195 HB2 -2.01 -0.01 0.01 -0.04 2.09 0.04 2pm9A1 GLU 195 HB3 -0.62 -0.05 -0.01 -0.04 1.99 1.27 2pm9A1 GLU 195 HG2 -0.51 -0.05 -0.22 -0.04 2.34 1.52 2pm9A1 GLU 195 HG3 -0.83 -0.01 0.14 -0.04 2.34 1.59 2pm9A1 VAL 196 H -0.45 0.37 0.40 -0.55 8.24 8.02 2pm9A1 VAL 196 HA -0.19 0.24 0.92 -0.75 4.13 4.35 2pm9A1 VAL 196 HB -0.10 -0.00 0.09 -0.04 2.12 2.07 2pm9A1 VAL 196 HG13 -0.13 0.01 -0.13 -0.04 0.97 0.67 2pm9A1 VAL 196 HG23 -0.12 -0.01 -0.20 -0.04 0.95 0.58 2pm9A1 ILE 197 H -0.33 0.12 0.30 -0.55 8.25 7.80 2pm9A1 ILE 197 HA -0.13 0.18 0.67 -0.75 4.18 4.15 2pm9A1 ILE 197 HB -0.18 -0.09 -0.00 -0.04 1.89 1.58 2pm9A1 ILE 197 HG12 -0.07 0.10 0.04 -0.04 1.49 1.52 2pm9A1 ILE 197 HG13 -0.11 -0.08 -0.94 -0.04 1.21 0.04 2pm9A1 ILE 197 HG23 -0.13 0.00 -0.11 -0.04 0.93 0.65 2pm9A1 ILE 197 HD13 -0.05 -0.01 -0.08 -0.04 0.88 0.70 2pm9A1 HIS 198 H -0.01 0.22 0.06 -0.55 8.41 8.13 2pm9A1 HIS 198 HA -0.11 0.27 1.00 -0.75 4.63 5.03 2pm9A1 HIS 198 HB2 -0.02 -0.05 0.06 -0.04 3.26 3.21 2pm9A1 HIS 198 HB3 0.10 0.05 0.13 -0.04 3.20 3.44 2pm9A1 HIS 198 HD2 -0.10 0.10 -0.03 -0.04 6.97 6.90 2pm9A1 HIS 198 HE1 -0.49 -0.02 -0.06 -0.04 7.75 7.14 2pm9A1 LEU 199 H -0.30 0.43 0.12 -0.55 8.37 8.07 2pm9A1 LEU 199 HA -0.78 0.08 0.50 -0.75 4.35 3.39 2pm9A1 LEU 199 HB2 -0.68 -0.02 0.08 -0.04 1.64 0.98 2pm9A1 LEU 199 HB3 -1.85 0.00 -0.04 -0.04 1.64 -0.29 2pm9A1 LEU 199 HG -0.57 0.03 -0.13 -0.04 1.64 0.93 2pm9A1 LEU 199 HD13 -1.44 -0.00 -0.15 -0.04 0.93 -0.70 2pm9A1 LEU 199 HD23 -0.56 -0.04 -0.18 -0.04 0.89 0.08 2pm9A1 SER 200 H -0.32 0.16 0.05 -0.55 8.46 7.81 2pm9A1 SER 200 HA -0.24 0.08 0.54 -0.75 4.49 4.11 2pm9A1 SER 200 HB2 -0.69 0.09 0.12 -0.04 3.95 3.43 2pm9A1 SER 200 HB3 -0.72 0.07 -0.18 -0.04 3.93 3.06 2pm9A1 TYR 201 H 0.21 0.20 0.09 -0.55 8.29 8.25 2pm9A1 TYR 201 HA 0.15 0.11 0.69 -0.75 4.56 4.75 2pm9A1 TYR 201 HB2 0.31 0.04 -0.01 -0.04 3.06 3.35 2pm9A1 TYR 201 HB3 0.07 0.05 -0.01 -0.04 2.98 3.05 2pm9A1 TYR 201 HD2 -0.05 0.07 -0.03 -0.04 7.15 7.10 2pm9A1 TYR 201 HE2 -0.10 0.08 -0.08 -0.04 6.85 6.71 2pm9A1 THR 202 H -0.40 -0.16 0.28 -0.55 8.28 7.45 2pm9A1 THR 202 HA -0.20 0.11 0.55 -0.75 4.39 4.10 2pm9A1 THR 202 HB -0.11 0.04 -0.07 -0.04 4.32 4.14 2pm9A1 THR 202 HG23 -0.09 -0.03 -0.05 -0.04 1.22 1.01 2pm9A1 SER 203 H -0.96 -0.11 0.19 -0.55 8.46 7.03 2pm9A1 SER 203 HA -0.25 0.16 0.61 -0.75 4.49 4.25 2pm9A1 SER 203 HB2 -0.31 0.03 0.14 -0.04 3.95 3.77 2pm9A1 SER 203 HB3 -0.14 0.03 0.24 -0.04 3.93 4.02 2pm9A1 PRO 204 HA -0.07 0.11 0.28 -0.51 4.44 4.26 2pm9A1 PRO 204 HB2 -0.09 -0.19 -0.17 -0.04 2.28 1.80 2pm9A1 PRO 204 HB3 -0.03 0.15 0.03 -0.04 2.02 2.12 2pm9A1 PRO 204 HG2 -0.11 0.42 0.03 -0.04 2.03 2.33 2pm9A1 PRO 204 HG3 -0.08 0.07 -0.02 -0.04 2.03 1.95 2pm9A1 PRO 204 HD2 -0.33 0.57 -1.03 -0.04 3.68 2.85 2pm9A1 PRO 204 HD3 -0.87 -0.04 -0.36 -0.04 3.65 2.33 2pm9A1 ASN 205 H -0.12 -0.02 -1.02 -0.55 8.53 6.83 2pm9A1 ASN 205 HA -0.05 0.01 0.32 -0.75 4.76 4.28 2pm9A1 ASN 205 HB2 -0.02 0.14 0.30 -0.04 2.88 3.27 2pm9A1 ASN 205 HB3 -0.02 -0.06 0.18 -0.04 2.79 2.85 2pm9A1 ASN 205 HD21 0.04 -0.10 -0.13 -0.04 7.03 6.80 2pm9A1 ASN 205 HD22 0.01 0.08 -0.04 -0.04 7.74 7.75 2pm9A1 SER 206 H -0.06 -0.09 -0.83 -0.55 8.46 6.93 2pm9A1 SER 206 HA -0.02 0.17 0.56 -0.75 4.49 4.44 2pm9A1 SER 206 HB2 -0.01 0.01 0.05 -0.04 3.95 3.95 2pm9A1 SER 206 HB3 -0.01 0.06 -0.12 -0.04 3.93 3.82 2pm9A1 GLY 207 H -0.07 -0.05 -0.19 -0.55 8.43 7.57 2pm9A1 GLY 207 HA2 -0.09 0.12 0.34 -0.51 4.01 3.87 2pm9A1 GLY 207 HA3 -0.05 0.03 0.27 -0.51 4.01 3.76 2pm9A1 ILE 208 H -0.09 0.14 -0.09 -0.55 8.25 7.66 2pm9A1 ILE 208 HA -0.03 0.12 0.85 -0.75 4.18 4.36 2pm9A1 ILE 208 HB -0.03 -0.07 -0.00 -0.04 1.89 1.75 2pm9A1 ILE 208 HG12 -0.02 0.03 -0.03 -0.04 1.49 1.42 2pm9A1 ILE 208 HG13 -0.03 0.36 -0.54 -0.04 1.21 0.96 2pm9A1 ILE 208 HG23 -0.01 0.02 -0.11 -0.04 0.93 0.79 2pm9A1 ILE 208 HD13 -0.01 -0.03 -0.06 -0.04 0.88 0.74 2pm9A1 LYS 209 H -0.03 0.12 0.10 -0.55 8.42 8.05 2pm9A1 LYS 209 HA -0.07 0.03 0.53 -0.75 4.32 4.05 2pm9A1 LYS 209 HB2 -0.01 -0.05 0.15 -0.04 1.87 1.92 2pm9A1 LYS 209 HB3 -0.05 0.09 0.06 -0.04 1.79 1.85 2pm9A1 LYS 209 HG2 -0.03 -0.04 0.11 -0.04 1.46 1.46 2pm9A1 LYS 209 HG3 -0.00 -0.01 0.06 -0.04 1.46 1.46 2pm9A1 LYS 209 HD2 -0.06 0.05 0.01 -0.04 1.69 1.65 2pm9A1 LYS 209 HD3 -0.06 -0.01 0.03 -0.04 1.68 1.60 2pm9A1 LYS 209 HE2 -0.02 -0.01 -0.01 -0.04 2.99 2.91 2pm9A1 LYS 209 HE3 0.01 -0.01 0.00 -0.04 2.99 2.95 2pm9A1 GLN 210 H -0.03 0.29 0.32 -0.55 8.47 8.51 2pm9A1 GLN 210 HA 0.02 0.08 0.80 -0.75 4.36 4.50 2pm9A1 GLN 210 HB2 0.17 -0.04 0.01 -0.04 2.15 2.25 2pm9A1 GLN 210 HB3 0.10 -0.03 0.05 -0.04 2.02 2.10 2pm9A1 GLN 210 HG2 0.02 0.12 -0.06 -0.04 2.40 2.44 2pm9A1 GLN 210 HG3 0.03 -0.10 -0.04 -0.04 2.39 2.25 2pm9A1 GLN 210 HE21 0.06 0.45 0.07 -0.04 6.97 7.50 2pm9A1 GLN 210 HE22 0.04 -0.08 0.04 -0.04 7.69 7.65 2pm9A1 GLN 211 H 0.02 -0.01 0.20 -0.55 8.47 8.14 2pm9A1 GLN 211 HA -0.01 0.14 0.68 -0.75 4.36 4.42 2pm9A1 GLN 211 HB2 0.01 -0.20 0.02 -0.04 2.15 1.95 2pm9A1 GLN 211 HB3 0.02 0.19 -0.30 -0.04 2.02 1.88 2pm9A1 GLN 211 HG2 0.02 0.00 -0.24 -0.04 2.40 2.15 2pm9A1 GLN 211 HG3 0.02 -0.07 0.00 -0.04 2.39 2.30 2pm9A1 GLN 211 HE21 0.03 -0.02 0.03 -0.04 6.97 6.96 2pm9A1 GLN 211 HE22 0.03 -0.06 -0.02 -0.04 7.69 7.60 2pm9A1 LEU 212 H -0.01 0.39 0.05 -0.55 8.37 8.25 2pm9A1 LEU 212 HA 0.01 0.40 0.87 -0.75 4.35 4.88 2pm9A1 LEU 212 HB2 -0.05 -0.05 -0.09 -0.04 1.64 1.40 2pm9A1 LEU 212 HB3 -0.04 0.06 -0.11 -0.04 1.64 1.51 2pm9A1 LEU 212 HG -0.06 0.03 -0.27 -0.04 1.64 1.29 2pm9A1 LEU 212 HD13 -0.16 -0.07 -0.23 -0.04 0.93 0.44 2pm9A1 LEU 212 HD23 0.08 0.03 -0.54 -0.04 0.89 0.41 2pm9A1 SER 213 H 0.01 0.27 -0.07 -0.55 8.46 8.12 2pm9A1 SER 213 HA 0.02 0.30 0.64 -0.75 4.49 4.70 2pm9A1 SER 213 HB2 0.01 0.03 0.00 -0.04 3.95 3.95 2pm9A1 SER 213 HB3 0.01 -0.09 -0.04 -0.04 3.93 3.77 2pm9A1 VAL 214 H 0.02 0.25 -0.07 -0.55 8.24 7.89 2pm9A1 VAL 214 HA 0.05 0.28 1.01 -0.75 4.13 4.73 2pm9A1 VAL 214 HB 0.04 -0.17 -0.14 -0.04 2.12 1.81 2pm9A1 VAL 214 HG13 0.08 -0.01 -0.04 -0.04 0.97 0.96 2pm9A1 VAL 214 HG23 0.02 0.03 -0.41 -0.04 0.95 0.54 2pm9A1 VAL 215 H 0.10 0.26 0.04 -0.55 8.24 8.08 2pm9A1 VAL 215 HA 0.06 0.52 0.96 -0.75 4.13 4.92 2pm9A1 VAL 215 HB 0.08 -0.06 -0.18 -0.04 2.12 1.92 2pm9A1 VAL 215 HG13 -0.04 0.02 -0.29 -0.04 0.97 0.62 2pm9A1 VAL 215 HG23 0.12 -0.04 -0.38 -0.04 0.95 0.62 2pm9A1 GLU 216 H 0.18 0.49 0.20 -0.55 8.60 8.93 2pm9A1 GLU 216 HA 0.35 0.11 0.76 -0.75 4.29 4.76 2pm9A1 GLU 216 HB2 0.24 -0.05 -0.21 -0.04 2.09 2.03 2pm9A1 GLU 216 HB3 0.44 -0.03 -0.02 -0.04 1.99 2.33 2pm9A1 GLU 216 HG2 0.26 0.12 0.17 -0.04 2.34 2.85 2pm9A1 GLU 216 HG3 0.31 -0.06 -0.19 -0.04 2.34 2.35 2pm9A1 TRP 217 H 0.60 0.17 0.12 -0.55 7.97 8.31 2pm9A1 TRP 217 HA 0.13 0.03 0.97 -0.75 4.62 5.00 2pm9A1 TRP 217 HB2 0.07 0.09 0.11 -0.04 3.23 3.45 2pm9A1 TRP 217 HB3 0.00 0.04 0.22 -0.04 3.23 3.45 2pm9A1 TRP 217 HD1 0.14 -0.09 -0.25 -0.04 7.22 6.98 2pm9A1 TRP 217 HE1 0.10 0.02 -0.36 -0.04 10.20 9.91 2pm9A1 TRP 217 HE3 0.04 0.07 -0.06 -0.04 7.59 7.60 2pm9A1 TRP 217 HZ2 0.00 0.07 -0.25 -0.04 7.44 7.23 2pm9A1 TRP 217 HZ3 0.04 0.14 -0.22 -0.04 7.13 7.05 2pm9A1 TRP 217 HH2 0.00 -0.01 -0.12 -0.04 7.19 7.02 2pm9A1 HIS 218 H 0.07 0.61 0.37 -0.55 8.41 8.92 2pm9A1 HIS 218 HA -2.92 0.15 0.51 -0.75 4.63 1.62 2pm9A1 HIS 218 HB2 -0.55 0.01 0.11 -0.04 3.26 2.79 2pm9A1 HIS 218 HB3 -0.17 0.07 0.28 -0.04 3.20 3.34 2pm9A1 HIS 218 HD2 0.45 0.07 -0.02 -0.04 6.97 7.42 2pm9A1 HIS 218 HE1 0.02 0.09 -0.02 -0.04 7.75 7.80 2pm9A1 PRO 219 HA 0.02 0.05 0.45 -0.51 4.44 4.45 2pm9A1 PRO 219 HB2 -0.04 0.01 0.24 -0.04 2.28 2.46 2pm9A1 PRO 219 HB3 0.04 0.16 0.23 -0.04 2.02 2.40 2pm9A1 PRO 219 HG2 -0.33 -0.18 -0.04 -0.04 2.03 1.45 2pm9A1 PRO 219 HG3 -0.11 0.52 0.17 -0.04 2.03 2.56 2pm9A1 PRO 219 HD2 -1.90 -0.06 0.25 -0.04 3.68 1.93 2pm9A1 PRO 219 HD3 -1.80 0.27 0.25 -0.04 3.65 2.33 2pm9A1 LYS 220 H 0.74 -0.10 -0.47 -0.55 8.42 8.04 2pm9A1 LYS 220 HA 0.08 0.26 0.72 -0.75 4.32 4.62 2pm9A1 LYS 220 HB2 0.32 -0.11 -0.02 -0.04 1.87 2.02 2pm9A1 LYS 220 HB3 0.08 -0.02 -0.02 -0.04 1.79 1.79 2pm9A1 LYS 220 HG2 -0.02 0.07 -0.03 -0.04 1.46 1.43 2pm9A1 LYS 220 HG3 -0.01 0.02 -0.79 -0.04 1.46 0.64 2pm9A1 LYS 220 HD2 0.12 -0.10 -0.10 -0.04 1.69 1.57 2pm9A1 LYS 220 HD3 0.04 -0.03 -0.06 -0.04 1.68 1.59 2pm9A1 LYS 220 HE2 -0.07 0.04 -0.06 -0.04 2.99 2.85 2pm9A1 LYS 220 HE3 -0.08 0.17 -0.23 -0.04 2.99 2.80 2pm9A1 ASN 221 H -0.29 0.04 0.04 -0.55 8.53 7.76 2pm9A1 ASN 221 HA -0.06 0.09 0.53 -0.75 4.76 4.56 2pm9A1 ASN 221 HB2 -0.47 0.07 0.07 -0.04 2.88 2.52 2pm9A1 ASN 221 HB3 -0.73 0.01 0.11 -0.04 2.79 2.14 2pm9A1 ASN 221 HD21 -0.01 0.04 -0.07 -0.04 7.03 6.94 2pm9A1 ASN 221 HD22 -0.10 0.06 -0.05 -0.04 7.74 7.61 2pm9A1 SER 222 H 0.03 0.21 0.15 -0.55 8.46 8.31 2pm9A1 SER 222 HA 0.12 0.05 0.35 -0.75 4.49 4.26 2pm9A1 SER 222 HB2 0.09 -0.02 0.10 -0.04 3.95 4.09 2pm9A1 SER 222 HB3 0.05 0.09 0.06 -0.04 3.93 4.09 2pm9A1 THR 223 H 0.10 0.05 -0.72 -0.55 8.28 7.16 2pm9A1 THR 223 HA 0.25 0.26 0.86 -0.75 4.39 5.01 2pm9A1 THR 223 HB 0.07 0.00 0.04 -0.04 4.32 4.40 2pm9A1 THR 223 HG23 0.08 -0.03 -0.13 -0.04 1.22 1.10 2pm9A1 ARG 224 H 0.28 0.33 -0.03 -0.55 8.46 8.49 2pm9A1 ARG 224 HA 0.09 0.37 0.97 -0.75 4.34 5.01 2pm9A1 ARG 224 HB2 0.12 -0.08 0.12 -0.04 1.90 2.02 2pm9A1 ARG 224 HB3 0.33 0.09 0.02 -0.04 1.80 2.19 2pm9A1 ARG 224 HG2 0.11 0.19 0.09 -0.04 1.67 2.01 2pm9A1 ARG 224 HG3 0.03 -0.24 -0.49 -0.04 1.67 0.93 2pm9A1 ARG 224 HD2 0.15 -0.04 -0.06 -0.04 3.22 3.23 2pm9A1 ARG 224 HD3 0.21 0.08 -0.09 -0.04 3.22 3.39 2pm9A1 VAL 225 H 0.03 0.39 0.23 -0.55 8.24 8.34 2pm9A1 VAL 225 HA -0.11 0.14 1.04 -0.75 4.13 4.45 2pm9A1 VAL 225 HB -0.43 -0.03 -0.10 -0.04 2.12 1.52 2pm9A1 VAL 225 HG13 -0.60 0.08 -0.20 -0.04 0.97 0.21 2pm9A1 VAL 225 HG23 -1.85 -0.02 -0.30 -0.04 0.95 -1.27 2pm9A1 ALA 226 H 0.25 0.86 0.35 -0.55 8.40 9.30 2pm9A1 ALA 226 HA 0.19 0.21 0.79 -0.75 4.34 4.77 2pm9A1 ALA 226 HB3 0.25 -0.04 0.04 -0.04 1.41 1.62 2pm9A1 THR 227 H 0.12 0.74 0.26 -0.55 8.28 8.86 2pm9A1 THR 227 HA 0.02 0.37 0.97 -0.75 4.39 5.01 2pm9A1 THR 227 HB 0.43 0.05 0.09 -0.04 4.32 4.85 2pm9A1 THR 227 HG23 0.07 -0.04 -0.17 -0.04 1.22 1.03 2pm9A1 ALA 228 H 0.02 0.32 0.08 -0.55 8.40 8.27 2pm9A1 ALA 228 HA -0.04 0.29 0.73 -0.75 4.34 4.56 2pm9A1 ALA 228 HB3 -0.01 -0.03 -0.01 -0.04 1.41 1.31 2pm9A1 THR 229 H -0.02 0.26 0.32 -0.55 8.28 8.29 2pm9A1 THR 229 HA 0.02 0.50 0.91 -0.75 4.39 5.07 2pm9A1 THR 229 HB 0.01 -0.29 0.23 -0.04 4.32 4.23 2pm9A1 THR 229 HG23 0.04 0.03 0.09 -0.04 1.22 1.34 2pm9A1 GLY 230 H 0.01 0.16 0.27 -0.55 8.43 8.33 2pm9A1 GLY 230 HA2 -0.03 0.23 0.88 -0.51 4.01 4.57 2pm9A1 GLY 230 HA3 -0.01 0.04 0.30 -0.51 4.01 3.83 2pm9A1 SER 231 H 0.01 -0.04 0.16 -0.55 8.46 8.05 2pm9A1 SER 231 HA 0.01 0.00 0.38 -0.75 4.49 4.13 2pm9A1 SER 231 HB2 0.02 0.01 0.16 -0.04 3.95 4.09 2pm9A1 SER 231 HB3 0.03 0.08 0.02 -0.04 3.93 4.01 2pm9A1 ASP 232 H 0.01 0.13 0.18 -0.55 8.40 8.17 2pm9A1 ASP 232 HA -0.00 -0.22 0.58 -0.75 4.63 4.24 2pm9A1 ASP 232 HB2 0.02 0.00 0.19 -0.04 2.71 2.88 2pm9A1 ASP 232 HB3 0.02 0.05 0.09 -0.04 2.70 2.82 2pm9A1 ASN 233 H 0.02 -0.01 -0.82 -0.55 8.53 7.18 2pm9A1 ASN 233 HA 0.03 0.33 0.58 -0.75 4.76 4.95 2pm9A1 ASN 233 HB2 0.02 -0.11 -0.12 -0.04 2.88 2.63 2pm9A1 ASN 233 HB3 0.02 0.00 -0.10 -0.04 2.79 2.67 2pm9A1 ASN 233 HD21 0.02 -0.02 -0.06 -0.04 7.03 6.93 2pm9A1 ASN 233 HD22 0.02 -0.08 -0.13 -0.04 7.74 7.50 2pm9A1 ASP 234 H 0.04 0.23 0.06 -0.55 8.40 8.19 2pm9A1 ASP 234 HA 0.05 0.02 0.33 -0.75 4.63 4.27 2pm9A1 ASP 234 HB2 0.03 -0.04 -0.05 -0.04 2.71 2.61 2pm9A1 ASP 234 HB3 0.04 0.13 0.29 -0.04 2.70 3.12 2pm9A1 PRO 235 HA 0.04 0.02 0.40 -0.51 4.44 4.39 2pm9A1 PRO 235 HB2 0.07 -0.05 -0.20 -0.04 2.28 2.06 2pm9A1 PRO 235 HB3 0.04 0.17 -0.36 -0.04 2.02 1.82 2pm9A1 PRO 235 HG2 0.17 -0.20 -0.11 -0.04 2.03 1.85 2pm9A1 PRO 235 HG3 0.16 0.05 -0.62 -0.04 2.03 1.58 2pm9A1 PRO 235 HD2 0.08 0.05 0.15 -0.04 3.68 3.93 2pm9A1 PRO 235 HD3 0.07 0.26 -0.19 -0.04 3.65 3.74 2pm9A1 SER 236 H -0.01 0.12 0.18 -0.55 8.46 8.21 2pm9A1 SER 236 HA -0.10 0.31 0.73 -0.75 4.49 4.67 2pm9A1 SER 236 HB2 -0.07 0.01 -0.13 -0.04 3.95 3.71 2pm9A1 SER 236 HB3 -0.16 -0.16 -0.04 -0.04 3.93 3.52 2pm9A1 ILE 237 H -0.32 0.14 0.17 -0.55 8.25 7.69 2pm9A1 ILE 237 HA -0.17 0.22 0.94 -0.75 4.18 4.41 2pm9A1 ILE 237 HB -0.57 -0.11 0.07 -0.04 1.89 1.23 2pm9A1 ILE 237 HG12 -0.67 0.03 -0.16 -0.04 1.49 0.65 2pm9A1 ILE 237 HG13 -0.25 0.03 -0.14 -0.04 1.21 0.81 2pm9A1 ILE 237 HG23 -0.28 0.00 -0.31 -0.04 0.93 0.30 2pm9A1 ILE 237 HD13 -0.49 -0.02 -0.40 -0.04 0.88 -0.08 2pm9A1 LEU 238 H -0.30 -0.23 0.15 -0.55 8.37 7.44 2pm9A1 LEU 238 HA -0.37 0.14 0.65 -0.75 4.35 4.02 2pm9A1 LEU 238 HB2 -0.05 0.35 -0.13 -0.04 1.64 1.78 2pm9A1 LEU 238 HB3 -0.54 -0.04 -0.07 -0.04 1.64 0.94 2pm9A1 LEU 238 HG -0.44 -0.13 -0.24 -0.04 1.64 0.79 2pm9A1 LEU 238 HD13 -0.37 0.03 -0.17 -0.04 0.93 0.39 2pm9A1 LEU 238 HD23 -1.19 -0.01 -0.05 -0.04 0.89 -0.40 2pm9A1 ILE 239 H -0.26 0.95 0.26 -0.55 8.25 8.65 2pm9A1 ILE 239 HA 0.08 0.22 0.76 -0.75 4.18 4.48 2pm9A1 ILE 239 HB -0.07 -0.04 0.02 -0.04 1.89 1.76 2pm9A1 ILE 239 HG12 -0.18 -0.13 -0.22 -0.04 1.49 0.92 2pm9A1 ILE 239 HG13 -0.12 0.18 -0.10 -0.04 1.21 1.13 2pm9A1 ILE 239 HG23 0.22 0.00 -0.20 -0.04 0.93 0.91 2pm9A1 ILE 239 HD13 -0.17 0.01 -0.36 -0.04 0.88 0.32 2pm9A1 TRP 240 H 0.33 0.66 0.34 -0.55 7.97 8.75 2pm9A1 TRP 240 HA -0.05 0.04 0.93 -0.75 4.62 4.78 2pm9A1 TRP 240 HB2 -0.13 -0.02 0.07 -0.04 3.23 3.12 2pm9A1 TRP 240 HB3 -0.09 -0.03 -0.12 -0.04 3.23 2.94 2pm9A1 TRP 240 HD1 -0.11 0.30 -0.04 -0.04 7.22 7.32 2pm9A1 TRP 240 HE1 -0.16 0.10 -0.12 -0.04 10.20 9.98 2pm9A1 TRP 240 HE3 -0.06 -0.00 -0.21 -0.04 7.59 7.28 2pm9A1 TRP 240 HZ2 -0.06 -0.03 -0.22 -0.04 7.44 7.08 2pm9A1 TRP 240 HZ3 -0.02 0.15 -0.53 -0.04 7.13 6.69 2pm9A1 TRP 240 HH2 0.00 0.18 -0.37 -0.04 7.19 6.96 2pm9A1 ASP 241 H 0.12 0.32 0.15 -0.55 8.40 8.44 2pm9A1 ASP 241 HA 0.10 0.52 1.08 -0.75 4.63 5.57 2pm9A1 ASP 241 HB2 0.06 0.05 0.08 -0.04 2.71 2.86 2pm9A1 ASP 241 HB3 0.05 -0.01 0.29 -0.04 2.70 2.99 2pm9A1 LEU 242 H 0.06 0.33 -0.13 -0.55 8.37 8.08 2pm9A1 LEU 242 HA 0.08 0.02 0.14 -0.75 4.35 3.83 2pm9A1 LEU 242 HB2 0.05 0.05 -0.04 -0.04 1.64 1.65 2pm9A1 LEU 242 HB3 -0.00 0.02 0.05 -0.04 1.64 1.67 2pm9A1 LEU 242 HG -0.08 0.01 -0.22 -0.04 1.64 1.30 2pm9A1 LEU 242 HD13 -0.17 0.02 -0.12 -0.04 0.93 0.61 2pm9A1 LEU 242 HD23 -0.10 -0.03 -0.23 -0.04 0.89 0.50 2pm9A1 ARG 243 H 0.06 0.10 -1.36 -0.55 8.46 6.71 2pm9A1 ARG 243 HA 0.04 0.07 0.54 -0.75 4.34 4.24 2pm9A1 ARG 243 HB2 0.05 -0.02 0.04 -0.04 1.90 1.92 2pm9A1 ARG 243 HB3 0.04 0.03 0.00 -0.04 1.80 1.82 2pm9A1 ARG 243 HG2 0.03 0.01 0.04 -0.04 1.67 1.71 2pm9A1 ARG 243 HG3 0.04 0.01 0.00 -0.04 1.67 1.68 2pm9A1 ARG 243 HD2 0.04 -0.03 -0.03 -0.04 3.22 3.16 2pm9A1 ARG 243 HD3 0.03 0.02 -0.01 -0.04 3.22 3.23 2pm9A1 ASN 244 H 0.07 0.87 0.17 -0.55 8.53 9.09 2pm9A1 ASN 244 HA 0.05 0.10 0.54 -0.75 4.76 4.70 2pm9A1 ASN 244 HB2 0.03 0.09 -0.13 -0.04 2.88 2.83 2pm9A1 ASN 244 HB3 0.04 0.03 0.20 -0.04 2.79 3.02 2pm9A1 ASN 244 HD21 0.02 0.00 -0.01 -0.04 7.03 7.00 2pm9A1 ASN 244 HD22 0.01 0.04 0.01 -0.04 7.74 7.76 2pm9A1 ALA 245 H 0.08 0.24 -0.04 -0.55 8.40 8.13 2pm9A1 ALA 245 HA 0.36 0.11 0.42 -0.75 4.34 4.47 2pm9A1 ALA 245 HB3 0.03 0.01 0.06 -0.04 1.41 1.47 2pm9A1 ASN 246 H 0.14 0.17 -0.57 -0.55 8.53 7.73 2pm9A1 ASN 246 HA 0.19 0.26 0.97 -0.75 4.76 5.42 2pm9A1 ASN 246 HB2 0.05 0.02 -0.06 -0.04 2.88 2.86 2pm9A1 ASN 246 HB3 0.07 0.02 0.05 -0.04 2.79 2.88 2pm9A1 ASN 246 HD21 0.05 -0.00 -0.17 -0.04 7.03 6.88 2pm9A1 ASN 246 HD22 0.09 0.19 -0.36 -0.04 7.74 7.62 2pm9A1 THR 247 H 0.04 0.26 0.10 -0.55 8.28 8.14 2pm9A1 THR 247 HA -0.17 0.17 0.67 -0.75 4.39 4.30 2pm9A1 THR 247 HB -0.08 -0.02 -0.05 -0.04 4.32 4.13 2pm9A1 THR 247 HG23 -0.09 0.03 0.01 -0.04 1.22 1.12 2pm9A1 PRO 248 HA -0.87 0.02 0.57 -0.51 4.44 3.65 2pm9A1 PRO 248 HB2 -0.63 0.11 -0.02 -0.04 2.28 1.70 2pm9A1 PRO 248 HB3 -1.38 0.01 -0.04 -0.04 2.02 0.57 2pm9A1 PRO 248 HG2 -0.33 0.04 0.07 -0.04 2.03 1.78 2pm9A1 PRO 248 HG3 -0.59 -0.01 0.01 -0.04 2.03 1.40 2pm9A1 PRO 248 HD2 -0.23 0.11 0.20 -0.04 3.68 3.72 2pm9A1 PRO 248 HD3 -0.73 0.11 0.05 -0.04 3.65 3.04 2pm9A1 LEU 249 H -0.23 0.12 0.45 -0.55 8.37 8.17 2pm9A1 LEU 249 HA -0.10 0.03 0.45 -0.75 4.35 3.98 2pm9A1 LEU 249 HB2 -0.03 -0.07 0.18 -0.04 1.64 1.68 2pm9A1 LEU 249 HB3 -0.03 0.03 -0.03 -0.04 1.64 1.57 2pm9A1 LEU 249 HG -0.02 0.00 0.15 -0.04 1.64 1.74 2pm9A1 LEU 249 HD13 0.03 -0.02 0.02 -0.04 0.93 0.92 2pm9A1 LEU 249 HD23 0.02 0.01 -0.16 -0.04 0.89 0.71 2pm9A1 GLN 250 H -0.26 0.22 -0.41 -0.55 8.47 7.47 2pm9A1 GLN 250 HA -0.12 0.11 0.41 -0.75 4.36 4.00 2pm9A1 GLN 250 HB2 -0.06 0.25 -0.01 -0.04 2.15 2.29 2pm9A1 GLN 250 HB3 -0.10 -0.16 -0.09 -0.04 2.02 1.63 2pm9A1 GLN 250 HG2 -0.08 0.34 -0.10 -0.04 2.40 2.52 2pm9A1 GLN 250 HG3 -0.13 -0.28 -0.25 -0.04 2.39 1.68 2pm9A1 GLN 250 HE21 -0.05 -0.18 0.12 -0.04 6.97 6.82 2pm9A1 GLN 250 HE22 -0.05 0.09 0.22 -0.04 7.69 7.91 2pm9A1 THR 251 H -0.14 0.34 0.08 -0.55 8.28 8.02 2pm9A1 THR 251 HA -0.28 -0.06 0.99 -0.75 4.39 4.29 2pm9A1 THR 251 HB -0.12 0.05 0.10 -0.04 4.32 4.31 2pm9A1 THR 251 HG23 -0.19 0.00 -0.17 -0.04 1.22 0.82 2pm9A1 LEU 252 H -0.34 -0.07 0.09 -0.55 8.37 7.51 2pm9A1 LEU 252 HA -0.17 0.20 0.60 -0.75 4.35 4.23 2pm9A1 LEU 252 HB2 -1.00 -0.14 0.14 -0.04 1.64 0.60 2pm9A1 LEU 252 HB3 -1.64 0.14 -0.05 -0.04 1.64 0.04 2pm9A1 LEU 252 HG -0.44 -0.06 -0.13 -0.04 1.64 0.96 2pm9A1 LEU 252 HD13 -0.76 0.01 -0.20 -0.04 0.93 -0.06 2pm9A1 LEU 252 HD23 -0.08 0.04 -0.25 -0.04 0.89 0.56 2pm9A1 ASN 253 H 0.03 0.24 0.16 -0.55 8.53 8.41 2pm9A1 ASN 253 HA -0.01 0.20 0.76 -0.75 4.76 4.96 2pm9A1 ASN 253 HB2 0.01 0.07 0.01 -0.04 2.88 2.93 2pm9A1 ASN 253 HB3 0.06 0.05 -0.02 -0.04 2.79 2.84 2pm9A1 ASN 253 HD21 0.05 0.04 -0.08 -0.04 7.03 7.00 2pm9A1 ASN 253 HD22 -0.00 -0.02 -0.12 -0.04 7.74 7.55 2pm9A1 GLN 254 H 0.08 0.12 0.10 -0.55 8.47 8.22 2pm9A1 GLN 254 HA 0.09 0.06 0.33 -0.75 4.36 4.09 2pm9A1 GLN 254 HB2 0.08 0.02 -0.05 -0.04 2.15 2.16 2pm9A1 GLN 254 HB3 0.05 0.03 0.11 -0.04 2.02 2.17 2pm9A1 GLN 254 HG2 0.04 0.03 0.05 -0.04 2.40 2.48 2pm9A1 GLN 254 HG3 0.06 -0.07 0.06 -0.04 2.39 2.40 2pm9A1 GLN 254 HE21 0.03 -0.01 -0.01 -0.04 6.97 6.94 2pm9A1 GLN 254 HE22 0.03 0.01 0.00 -0.04 7.69 7.69 2pm9A1 GLY 255 H 0.22 0.06 -0.15 -0.55 8.43 8.02 2pm9A1 GLY 255 HA2 -0.04 0.20 0.93 -0.51 4.01 4.59 2pm9A1 GLY 255 HA3 0.34 -0.03 0.16 -0.51 4.01 3.98 2pm9A1 HIS 256 H 0.23 0.07 -0.00 -0.55 8.41 8.16 2pm9A1 HIS 256 HA 0.08 0.10 0.57 -0.75 4.63 4.62 2pm9A1 HIS 256 HB2 0.10 -0.01 -0.12 -0.04 3.26 3.19 2pm9A1 HIS 256 HB3 0.06 0.16 -0.09 -0.04 3.20 3.28 2pm9A1 HIS 256 HD2 0.24 -0.00 -0.21 -0.04 6.97 6.95 2pm9A1 HIS 256 HE1 0.10 0.19 -0.23 -0.04 7.75 7.77 2pm9A1 GLN 257 H 0.16 -0.00 0.08 -0.55 8.47 8.16 2pm9A1 GLN 257 HA 0.07 0.13 0.81 -0.75 4.36 4.62 2pm9A1 GLN 257 HB2 0.07 -0.13 0.16 -0.04 2.15 2.21 2pm9A1 GLN 257 HB3 0.05 0.03 0.02 -0.04 2.02 2.08 2pm9A1 GLN 257 HG2 0.04 0.05 -0.16 -0.04 2.40 2.29 2pm9A1 GLN 257 HG3 0.05 0.00 -0.12 -0.04 2.39 2.28 2pm9A1 GLN 257 HE21 0.02 -0.01 -0.03 -0.04 6.97 6.90 2pm9A1 GLN 257 HE22 0.02 0.01 -0.06 -0.04 7.69 7.62 2pm9A1 LYS 258 H 0.06 -0.08 0.10 -0.55 8.42 7.95 2pm9A1 LYS 258 HA 0.02 0.49 0.70 -0.75 4.32 4.78 2pm9A1 LYS 258 HB2 0.01 -0.06 -0.04 -0.04 1.87 1.74 2pm9A1 LYS 258 HB3 0.01 -0.04 0.18 -0.04 1.79 1.90 2pm9A1 LYS 258 HG2 0.04 0.12 0.04 -0.04 1.46 1.61 2pm9A1 LYS 258 HG3 0.05 -0.11 0.05 -0.04 1.46 1.40 2pm9A1 LYS 258 HD2 0.07 0.04 0.05 -0.04 1.69 1.80 2pm9A1 LYS 258 HD3 0.06 0.01 0.06 -0.04 1.68 1.77 2pm9A1 LYS 258 HE2 0.05 0.02 0.02 -0.04 2.99 3.04 2pm9A1 LYS 258 HE3 0.05 -0.03 0.02 -0.04 2.99 3.00 2pm9A1 GLY 259 H -0.04 0.00 0.11 -0.55 8.43 7.96 2pm9A1 GLY 259 HA2 -0.03 0.20 0.08 -0.51 4.01 3.74 2pm9A1 GLY 259 HA3 -0.09 0.21 0.27 -0.51 4.01 3.90 2pm9A1 ILE 260 H -0.08 0.37 0.19 -0.55 8.25 8.18 2pm9A1 ILE 260 HA -0.27 -0.01 0.86 -0.75 4.18 4.00 2pm9A1 ILE 260 HB -0.06 0.18 0.13 -0.04 1.89 2.10 2pm9A1 ILE 260 HG12 -0.35 -0.02 -0.14 -0.04 1.49 0.94 2pm9A1 ILE 260 HG13 -0.07 -0.01 -0.22 -0.04 1.21 0.87 2pm9A1 ILE 260 HG23 -0.06 -0.02 -0.19 -0.04 0.93 0.62 2pm9A1 ILE 260 HD13 0.08 -0.00 -0.18 -0.04 0.88 0.74 2pm9A1 LEU 261 H -0.14 0.50 0.49 -0.55 8.37 8.67 2pm9A1 LEU 261 HA -0.08 0.17 0.99 -0.75 4.35 4.67 2pm9A1 LEU 261 HB2 -0.19 -0.16 -0.08 -0.04 1.64 1.17 2pm9A1 LEU 261 HB3 -0.02 0.20 0.03 -0.04 1.64 1.82 2pm9A1 LEU 261 HG -0.03 -0.05 -0.08 -0.04 1.64 1.44 2pm9A1 LEU 261 HD13 -0.24 0.02 -0.06 -0.04 0.93 0.61 2pm9A1 LEU 261 HD23 -0.88 -0.04 -0.51 -0.04 0.89 -0.59 2pm9A1 SER 262 H -0.02 0.74 0.48 -0.55 8.46 9.11 2pm9A1 SER 262 HA 0.05 0.17 1.08 -0.75 4.49 5.04 2pm9A1 SER 262 HB2 0.06 0.34 0.21 -0.04 3.95 4.52 2pm9A1 SER 262 HB3 0.05 -0.04 0.06 -0.04 3.93 3.96 2pm9A1 LEU 263 H 0.09 0.25 0.17 -0.55 8.37 8.33 2pm9A1 LEU 263 HA 0.08 0.32 1.02 -0.75 4.35 5.01 2pm9A1 LEU 263 HB2 0.13 -0.03 -0.03 -0.04 1.64 1.67 2pm9A1 LEU 263 HB3 0.13 0.01 -0.11 -0.04 1.64 1.63 2pm9A1 LEU 263 HG 0.04 -0.05 -0.40 -0.04 1.64 1.18 2pm9A1 LEU 263 HD13 0.05 -0.01 -0.26 -0.04 0.93 0.67 2pm9A1 LEU 263 HD23 -0.01 0.03 -0.05 -0.04 0.89 0.83 2pm9A1 ASP 264 H 0.08 0.40 0.14 -0.55 8.40 8.48 2pm9A1 ASP 264 HA 0.24 0.17 0.94 -0.75 4.63 5.23 2pm9A1 ASP 264 HB2 0.10 0.19 0.14 -0.04 2.71 3.10 2pm9A1 ASP 264 HB3 -0.13 -0.07 0.23 -0.04 2.70 2.69 2pm9A1 TRP 265 H 0.47 0.23 0.07 -0.55 7.97 8.20 2pm9A1 TRP 265 HA 0.25 0.07 0.86 -0.75 4.62 5.05 2pm9A1 TRP 265 HB2 0.17 -0.08 -0.02 -0.04 3.23 3.25 2pm9A1 TRP 265 HB3 0.20 0.12 0.22 -0.04 3.23 3.73 2pm9A1 TRP 265 HD1 0.11 0.20 -0.26 -0.04 7.22 7.23 2pm9A1 TRP 265 HE1 -0.09 0.14 0.13 -0.04 10.20 10.34 2pm9A1 TRP 265 HE3 0.15 0.07 -0.31 -0.04 7.59 7.46 2pm9A1 TRP 265 HZ2 0.13 0.00 -0.04 -0.04 7.44 7.48 2pm9A1 TRP 265 HZ3 0.13 -0.04 -0.35 -0.04 7.13 6.83 2pm9A1 TRP 265 HH2 0.23 -0.02 -0.15 -0.04 7.19 7.21 2pm9A1 CYS 266 H 0.72 0.44 0.29 -0.55 8.50 9.40 2pm9A1 CYS 266 HA 0.30 -0.09 0.35 -0.75 4.58 4.39 2pm9A1 CYS 266 HB2 0.15 0.29 0.25 -0.04 2.97 3.61 2pm9A1 CYS 266 HB3 0.15 0.06 0.02 -0.04 2.97 3.15 2pm9A1 HIS 267 H 0.11 -0.01 0.24 -0.55 8.41 8.20 2pm9A1 HIS 267 HA 0.02 0.27 0.90 -0.75 4.63 5.07 2pm9A1 HIS 267 HB2 0.03 0.01 0.15 -0.04 3.26 3.41 2pm9A1 HIS 267 HB3 -0.05 -0.04 0.20 -0.04 3.20 3.26 2pm9A1 HIS 267 HD2 -0.06 -0.01 -0.01 -0.04 6.97 6.84 2pm9A1 HIS 267 HE1 -0.00 0.09 0.13 -0.04 7.75 7.92 2pm9A1 GLN 268 H -0.05 0.04 0.18 -0.55 8.47 8.09 2pm9A1 GLN 268 HA -0.07 0.10 0.40 -0.75 4.36 4.04 2pm9A1 GLN 268 HB2 0.27 -0.06 -0.06 -0.04 2.15 2.26 2pm9A1 GLN 268 HB3 -0.15 0.05 0.10 -0.04 2.02 1.98 2pm9A1 GLN 268 HG2 -0.34 -0.15 0.20 -0.04 2.40 2.07 2pm9A1 GLN 268 HG3 -1.19 0.01 0.06 -0.04 2.39 1.22 2pm9A1 GLN 268 HE21 -0.04 0.11 0.07 -0.04 6.97 7.08 2pm9A1 GLN 268 HE22 -0.08 -0.08 0.02 -0.04 7.69 7.51 2pm9A1 ASP 269 H 0.16 0.04 -0.38 -0.55 8.40 7.67 2pm9A1 ASP 269 HA 0.05 0.19 0.84 -0.75 4.63 4.95 2pm9A1 ASP 269 HB2 0.35 -0.04 -0.09 -0.04 2.71 2.89 2pm9A1 ASP 269 HB3 0.18 0.06 -0.09 -0.04 2.70 2.82 2pm9A1 GLU 270 H -0.13 0.11 0.11 -0.55 8.60 8.14 2pm9A1 GLU 270 HA 0.31 0.41 0.84 -0.75 4.29 5.09 2pm9A1 GLU 270 HB2 -0.25 -0.02 0.09 -0.04 2.09 1.86 2pm9A1 GLU 270 HB3 -0.02 0.05 -0.04 -0.04 1.99 1.94 2pm9A1 GLU 270 HG2 -0.26 -0.04 -0.09 -0.04 2.34 1.91 2pm9A1 GLU 270 HG3 0.53 -0.00 -0.31 -0.04 2.34 2.52 2pm9A1 HIS 271 H 0.03 -0.01 -0.07 -0.55 8.41 7.82 2pm9A1 HIS 271 HA 0.09 0.16 0.69 -0.75 4.63 4.81 2pm9A1 HIS 271 HB2 0.03 0.05 0.05 -0.04 3.26 3.35 2pm9A1 HIS 271 HB3 0.04 -0.02 0.14 -0.04 3.20 3.32 2pm9A1 HIS 271 HD2 0.02 0.06 -0.01 -0.04 6.97 7.00 2pm9A1 HIS 271 HE1 0.14 0.04 -0.08 -0.04 7.75 7.80 2pm9A1 LEU 272 H 0.22 0.19 -0.64 -0.55 8.37 7.59 2pm9A1 LEU 272 HA 0.14 0.37 0.85 -0.75 4.35 4.95 2pm9A1 LEU 272 HB2 0.11 -0.13 0.03 -0.04 1.64 1.61 2pm9A1 LEU 272 HB3 0.20 0.05 -0.04 -0.04 1.64 1.81 2pm9A1 LEU 272 HG 0.02 -0.19 -0.45 -0.04 1.64 0.98 2pm9A1 LEU 272 HD13 -0.12 0.00 -0.06 -0.04 0.93 0.72 2pm9A1 LEU 272 HD23 0.06 0.13 0.03 -0.04 0.89 1.07 2pm9A1 LEU 273 H 0.13 0.74 0.16 -0.55 8.37 8.85 2pm9A1 LEU 273 HA 0.17 0.18 1.21 -0.75 4.35 5.16 2pm9A1 LEU 273 HB2 -0.54 -0.01 -0.13 -0.04 1.64 0.92 2pm9A1 LEU 273 HB3 -0.06 -0.09 -0.00 -0.04 1.64 1.45 2pm9A1 LEU 273 HG -0.04 0.05 -0.34 -0.04 1.64 1.27 2pm9A1 LEU 273 HD13 0.08 0.02 -0.14 -0.04 0.93 0.84 2pm9A1 LEU 273 HD23 -0.48 -0.02 -0.17 -0.04 0.89 0.18 2pm9A1 LEU 274 H 0.13 0.79 0.41 -0.55 8.37 9.16 2pm9A1 LEU 274 HA 0.02 0.23 0.92 -0.75 4.35 4.77 2pm9A1 LEU 274 HB2 -0.47 0.06 0.21 -0.04 1.64 1.40 2pm9A1 LEU 274 HB3 -0.25 0.01 -0.03 -0.04 1.64 1.33 2pm9A1 LEU 274 HG -0.55 -0.05 -0.10 -0.04 1.64 0.90 2pm9A1 LEU 274 HD13 -1.24 -0.02 -0.23 -0.04 0.93 -0.60 2pm9A1 LEU 274 HD23 -0.47 0.04 -0.03 -0.04 0.89 0.39 2pm9A1 SER 275 H 0.10 0.53 0.32 -0.55 8.46 8.86 2pm9A1 SER 275 HA 0.13 0.30 0.92 -0.75 4.49 5.09 2pm9A1 SER 275 HB2 0.38 0.03 -0.38 -0.04 3.95 3.94 2pm9A1 SER 275 HB3 0.70 -0.08 -0.02 -0.04 3.93 4.50 2pm9A1 SER 276 H 0.05 0.70 0.39 -0.55 8.46 9.06 2pm9A1 SER 276 HA 0.08 0.23 1.05 -0.75 4.49 5.09 2pm9A1 SER 276 HB2 0.09 -0.01 -0.08 -0.04 3.95 3.91 2pm9A1 SER 276 HB3 0.05 -0.03 0.02 -0.04 3.93 3.92 2pm9A1 GLY 277 H -0.11 0.27 0.27 -0.55 8.43 8.31 2pm9A1 GLY 277 HA2 -0.24 0.09 0.93 -0.51 4.01 4.27 2pm9A1 GLY 277 HA3 -0.38 0.15 0.52 -0.51 4.01 3.79 2pm9A1 ARG 278 H -0.27 0.98 0.08 -0.55 8.46 8.70 2pm9A1 ARG 278 HA -0.66 0.07 0.56 -0.75 4.34 3.56 2pm9A1 ARG 278 HB2 -0.20 0.02 -0.02 -0.04 1.90 1.66 2pm9A1 ARG 278 HB3 -0.20 -0.04 0.17 -0.04 1.80 1.69 2pm9A1 ARG 278 HG2 -1.59 -0.01 -0.08 -0.04 1.67 -0.04 2pm9A1 ARG 278 HG3 -0.53 0.10 -0.20 -0.04 1.67 1.00 2pm9A1 ARG 278 HD2 -0.15 -0.10 0.04 -0.04 3.22 2.97 2pm9A1 ARG 278 HD3 -0.15 -0.02 0.02 -0.04 3.22 3.02 2pm9A1 ASP 279 H -0.05 0.13 -0.42 -0.55 8.40 7.52 2pm9A1 ASP 279 HA 0.09 0.28 1.01 -0.75 4.63 5.26 2pm9A1 ASP 279 HB2 0.09 0.03 0.10 -0.04 2.71 2.89 2pm9A1 ASP 279 HB3 0.07 -0.00 -0.01 -0.04 2.70 2.71 2pm9A1 ASN 280 H 0.10 0.27 0.08 -0.55 8.53 8.43 2pm9A1 ASN 280 HA 0.13 -0.07 0.29 -0.75 4.76 4.34 2pm9A1 ASN 280 HB2 0.08 0.03 -0.00 -0.04 2.88 2.95 2pm9A1 ASN 280 HB3 0.10 0.27 -0.95 -0.04 2.79 2.17 2pm9A1 ASN 280 HD21 0.05 -0.01 0.02 -0.04 7.03 7.05 2pm9A1 ASN 280 HD22 0.05 0.03 0.06 -0.04 7.74 7.84 2pm9A1 THR 281 H 0.13 0.56 -0.62 -0.55 8.28 7.80 2pm9A1 THR 281 HA 0.12 0.28 0.86 -0.75 4.39 4.89 2pm9A1 THR 281 HB 0.09 -0.11 -0.35 -0.04 4.32 3.91 2pm9A1 THR 281 HG23 0.22 -0.02 -0.31 -0.04 1.22 1.07 2pm9A1 VAL 282 H 0.17 0.70 0.15 -0.55 8.24 8.71 2pm9A1 VAL 282 HA 0.20 0.21 0.99 -0.75 4.13 4.78 2pm9A1 VAL 282 HB 0.28 0.02 0.04 -0.04 2.12 2.42 2pm9A1 VAL 282 HG13 0.07 -0.00 -0.14 -0.04 0.97 0.86 2pm9A1 VAL 282 HG23 0.18 -0.01 -0.27 -0.04 0.95 0.80 2pm9A1 LEU 283 H 0.22 0.76 0.37 -0.55 8.37 9.18 2pm9A1 LEU 283 HA -0.02 0.32 1.19 -0.75 4.35 5.08 2pm9A1 LEU 283 HB2 0.15 -0.04 -0.03 -0.04 1.64 1.68 2pm9A1 LEU 283 HB3 -0.76 -0.02 -0.08 -0.04 1.64 0.74 2pm9A1 LEU 283 HG -0.26 -0.06 -0.40 -0.04 1.64 0.89 2pm9A1 LEU 283 HD13 -0.67 0.01 -0.25 -0.04 0.93 -0.01 2pm9A1 LEU 283 HD23 -0.31 0.05 -0.11 -0.04 0.89 0.48 2pm9A1 LEU 284 H -0.20 0.45 0.26 -0.55 8.37 8.34 2pm9A1 LEU 284 HA 0.12 0.27 0.87 -0.75 4.35 4.86 2pm9A1 LEU 284 HB2 0.17 0.02 -0.06 -0.04 1.64 1.73 2pm9A1 LEU 284 HB3 0.17 0.01 0.17 -0.04 1.64 1.95 2pm9A1 LEU 284 HG 0.07 -0.08 -0.22 -0.04 1.64 1.38 2pm9A1 LEU 284 HD13 0.22 0.02 -0.14 -0.04 0.93 0.99 2pm9A1 LEU 284 HD23 0.17 0.01 -0.07 -0.04 0.89 0.96 2pm9A1 TRP 285 H 0.41 0.79 0.27 -0.55 7.97 8.89 2pm9A1 TRP 285 HA -0.01 0.09 1.04 -0.75 4.62 4.98 2pm9A1 TRP 285 HB2 -0.09 -0.04 -0.14 -0.04 3.23 2.92 2pm9A1 TRP 285 HB3 -0.06 0.01 -0.14 -0.04 3.23 3.00 2pm9A1 TRP 285 HD1 -0.01 0.24 -0.26 -0.04 7.22 7.15 2pm9A1 TRP 285 HE1 0.05 -0.01 -0.23 -0.04 10.20 9.97 2pm9A1 TRP 285 HE3 -0.03 0.15 -0.22 -0.04 7.59 7.45 2pm9A1 TRP 285 HZ2 -0.14 -0.09 -0.20 -0.04 7.44 6.97 2pm9A1 TRP 285 HZ3 -0.03 0.11 -0.15 -0.04 7.13 7.02 2pm9A1 TRP 285 HH2 -0.06 0.11 -0.32 -0.04 7.19 6.87 2pm9A1 ASN 286 H 0.24 0.54 -0.02 -0.55 8.53 8.74 2pm9A1 ASN 286 HA 0.08 0.36 0.80 -0.75 4.76 5.24 2pm9A1 ASN 286 HB2 0.06 0.15 0.01 -0.04 2.88 3.06 2pm9A1 ASN 286 HB3 0.07 -0.00 0.18 -0.04 2.79 2.99 2pm9A1 ASN 286 HD21 -0.09 -0.05 0.10 -0.04 7.03 6.96 2pm9A1 ASN 286 HD22 -0.01 -0.18 0.20 -0.04 7.74 7.71 2pm9A1 PRO 287 HA -0.15 0.05 0.05 -0.51 4.44 3.88 2pm9A1 PRO 287 HB2 -0.47 0.06 -0.13 -0.04 2.28 1.70 2pm9A1 PRO 287 HB3 -0.60 -0.01 -0.11 -0.04 2.02 1.26 2pm9A1 PRO 287 HG2 -0.15 0.13 -0.07 -0.04 2.03 1.90 2pm9A1 PRO 287 HG3 -0.81 0.05 -0.21 -0.04 2.03 1.02 2pm9A1 PRO 287 HD2 -0.01 0.30 -0.15 -0.04 3.68 3.79 2pm9A1 PRO 287 HD3 -0.09 0.07 -0.43 -0.04 3.65 3.15 2pm9A1 GLU 288 H -0.04 0.00 -0.82 -0.55 8.60 7.20 2pm9A1 GLU 288 HA 0.03 0.08 0.41 -0.75 4.29 4.06 2pm9A1 GLU 288 HB2 -0.29 -0.03 0.01 -0.04 2.09 1.75 2pm9A1 GLU 288 HB3 -0.16 -0.20 0.14 -0.04 1.99 1.73 2pm9A1 GLU 288 HG2 -0.09 0.02 -0.06 -0.04 2.34 2.17 2pm9A1 GLU 288 HG3 -0.02 0.02 -0.02 -0.04 2.34 2.28 2pm9A1 SER 289 H -0.07 0.01 0.04 -0.55 8.46 7.90 2pm9A1 SER 289 HA -0.04 0.11 0.44 -0.75 4.49 4.25 2pm9A1 SER 289 HB2 -0.05 0.05 0.08 -0.04 3.95 3.99 2pm9A1 SER 289 HB3 -0.06 0.02 0.15 -0.04 3.93 4.00 2pm9A1 ALA 290 H 0.01 -0.24 0.21 -0.55 8.40 7.84 2pm9A1 ALA 290 HA 0.06 0.02 -0.02 -0.75 4.34 3.65 2pm9A1 ALA 290 HB3 0.03 0.06 0.07 -0.04 1.41 1.53 2pm9A1 GLU 291 H 0.04 -0.17 0.18 -0.55 8.60 8.11 2pm9A1 GLU 291 HA 0.23 0.06 0.36 -0.75 4.29 4.18 2pm9A1 GLU 291 HB2 0.09 0.01 0.00 -0.04 2.09 2.15 2pm9A1 GLU 291 HB3 0.25 0.10 0.01 -0.04 1.99 2.31 2pm9A1 GLU 291 HG2 -0.24 0.03 0.07 -0.04 2.34 2.17 2pm9A1 GLU 291 HG3 -0.06 -0.17 0.16 -0.04 2.34 2.23 2pm9A1 GLN 292 H 0.23 0.12 0.17 -0.55 8.47 8.45 2pm9A1 GLN 292 HA -0.33 0.06 0.65 -0.75 4.36 3.98 2pm9A1 GLN 292 HB2 -0.23 -0.00 0.16 -0.04 2.15 2.04 2pm9A1 GLN 292 HB3 -0.41 -0.03 0.02 -0.04 2.02 1.57 2pm9A1 GLN 292 HG2 -1.46 -0.01 -0.08 -0.04 2.40 0.81 2pm9A1 GLN 292 HG3 -1.83 0.03 -0.07 -0.04 2.39 0.48 2pm9A1 GLN 292 HE21 -0.25 0.09 0.12 -0.04 6.97 6.89 2pm9A1 GLN 292 HE22 -0.23 0.03 0.01 -0.04 7.69 7.45 2pm9A1 LEU 293 H -0.13 0.33 0.28 -0.55 8.37 8.30 2pm9A1 LEU 293 HA -0.03 0.09 0.28 -0.75 4.35 3.94 2pm9A1 LEU 293 HB2 -0.04 0.09 0.05 -0.04 1.64 1.69 2pm9A1 LEU 293 HB3 -0.06 0.01 -0.05 -0.04 1.64 1.51 2pm9A1 LEU 293 HG 0.04 -0.05 -0.15 -0.04 1.64 1.44 2pm9A1 LEU 293 HD13 0.04 -0.00 -0.27 -0.04 0.93 0.66 2pm9A1 LEU 293 HD23 0.05 -0.05 -0.29 -0.04 0.89 0.56 2pm9A1 SER 294 H -0.20 0.33 0.24 -0.55 8.46 8.28 2pm9A1 SER 294 HA -0.28 -0.18 0.50 -0.75 4.49 3.78 2pm9A1 SER 294 HB2 -0.42 0.15 0.11 -0.04 3.95 3.74 2pm9A1 SER 294 HB3 -0.27 0.15 -0.13 -0.04 3.93 3.63 2pm9A1 GLN 295 H -0.31 0.69 0.20 -0.55 8.47 8.50 2pm9A1 GLN 295 HA -0.11 0.23 1.10 -0.75 4.36 4.83 2pm9A1 GLN 295 HB2 -0.22 -0.09 -0.09 -0.04 2.15 1.71 2pm9A1 GLN 295 HB3 -0.17 0.01 0.13 -0.04 2.02 1.94 2pm9A1 GLN 295 HG2 -0.04 0.04 -0.32 -0.04 2.40 2.04 2pm9A1 GLN 295 HG3 -0.08 0.01 -0.13 -0.04 2.39 2.14 2pm9A1 GLN 295 HE21 -0.08 -0.01 -0.08 -0.04 6.97 6.75 2pm9A1 GLN 295 HE22 -0.11 0.00 -0.14 -0.04 7.69 7.40 2pm9A1 PHE 296 H 0.39 0.37 0.14 -0.55 8.34 8.68 2pm9A1 PHE 296 HA 0.03 0.11 0.51 -0.75 4.62 4.52 2pm9A1 PHE 296 HB2 0.16 -0.10 -0.01 -0.04 3.15 3.17 2pm9A1 PHE 296 HB3 0.17 0.09 -0.03 -0.04 3.06 3.25 2pm9A1 PHE 296 HD2 0.09 0.08 -0.14 -0.04 7.28 7.27 2pm9A1 PHE 296 HE2 0.03 0.06 -0.19 -0.04 7.38 7.24 2pm9A1 PHE 296 HZ -0.02 0.05 -0.06 -0.04 7.32 7.25 2pm9A1 PRO 297 HA 0.08 0.06 0.47 -0.51 4.44 4.53 2pm9A1 PRO 297 HB2 0.05 0.06 -0.07 -0.04 2.28 2.28 2pm9A1 PRO 297 HB3 0.04 -0.05 0.03 -0.04 2.02 1.99 2pm9A1 PRO 297 HG2 0.09 0.02 -0.08 -0.04 2.03 2.02 2pm9A1 PRO 297 HG3 0.04 0.20 -0.26 -0.04 2.03 1.97 2pm9A1 PRO 297 HD2 0.12 0.14 0.09 -0.04 3.68 3.99 2pm9A1 PRO 297 HD3 0.02 0.08 0.01 -0.04 3.65 3.71 2pm9A1 ALA 298 H 0.08 0.29 0.15 -0.55 8.40 8.38 2pm9A1 ALA 298 HA 0.10 0.29 0.87 -0.75 4.34 4.85 2pm9A1 ALA 298 HB3 0.12 -0.06 -0.35 -0.04 1.41 1.07 2pm9A1 ARG 299 H 0.08 0.20 0.01 -0.55 8.46 8.20 2pm9A1 ARG 299 HA 0.04 0.12 0.24 -0.75 4.34 3.99 2pm9A1 ARG 299 HB2 0.07 0.13 0.08 -0.04 1.90 2.15 2pm9A1 ARG 299 HB3 0.12 -0.11 -0.07 -0.04 1.80 1.71 2pm9A1 ARG 299 HG2 0.07 -0.15 0.08 -0.04 1.67 1.63 2pm9A1 ARG 299 HG3 0.06 0.03 0.04 -0.04 1.67 1.76 2pm9A1 ARG 299 HD2 0.02 0.08 0.06 -0.04 3.22 3.34 2pm9A1 ARG 299 HD3 -0.00 0.16 0.05 -0.04 3.22 3.39 2pm9A1 GLY 300 H 0.10 -0.12 -0.77 -0.55 8.43 7.10 2pm9A1 GLY 300 HA2 0.07 0.10 0.35 -0.51 4.01 4.02 2pm9A1 GLY 300 HA3 0.08 0.15 0.62 -0.51 4.01 4.34 2pm9A1 ASN 301 H 0.16 0.06 -0.21 -0.55 8.53 7.99 2pm9A1 ASN 301 HA 0.16 -0.15 0.05 -0.75 4.76 4.07 2pm9A1 ASN 301 HB2 0.11 0.60 0.58 -0.04 2.88 4.13 2pm9A1 ASN 301 HB3 0.15 -0.01 -0.07 -0.04 2.79 2.82 2pm9A1 ASN 301 HD21 0.11 0.01 0.12 -0.04 7.03 7.23 2pm9A1 ASN 301 HD22 0.09 0.09 0.16 -0.04 7.74 8.04 2pm9A1 TRP 302 H 0.22 0.14 -0.44 -0.55 7.97 7.34 2pm9A1 TRP 302 HA 0.12 0.16 0.34 -0.75 4.62 4.49 2pm9A1 TRP 302 HB2 0.05 0.03 -0.31 -0.04 3.23 2.95 2pm9A1 TRP 302 HB3 0.13 0.08 0.44 -0.04 3.23 3.84 2pm9A1 TRP 302 HD1 0.54 -0.22 -0.37 -0.04 7.22 7.13 2pm9A1 TRP 302 HE1 -0.03 -0.01 -0.12 -0.04 10.20 10.01 2pm9A1 TRP 302 HE3 -0.03 0.04 -0.02 -0.04 7.59 7.53 2pm9A1 TRP 302 HZ2 -0.17 0.02 -0.05 -0.04 7.44 7.20 2pm9A1 TRP 302 HZ3 -0.06 -0.01 0.00 -0.04 7.13 7.02 2pm9A1 TRP 302 HH2 -0.09 0.00 -0.02 -0.04 7.19 7.04 2pm9A1 CYS 303 H 0.09 0.59 0.16 -0.55 8.50 8.79 2pm9A1 CYS 303 HA 0.48 0.07 1.08 -0.75 4.58 5.45 2pm9A1 CYS 303 HB2 0.12 -0.05 0.08 -0.04 2.97 3.08 2pm9A1 CYS 303 HB3 0.14 0.29 0.01 -0.04 2.97 3.37 2pm9A1 PHE 304 H 1.59 0.00 -0.04 -0.55 8.34 9.34 2pm9A1 PHE 304 HA 0.10 0.14 0.50 -0.75 4.62 4.60 2pm9A1 PHE 304 HB2 0.15 0.09 -0.07 -0.04 3.15 3.28 2pm9A1 PHE 304 HB3 0.47 0.02 0.01 -0.04 3.06 3.51 2pm9A1 PHE 304 HD2 0.17 0.06 -0.01 -0.04 7.28 7.46 2pm9A1 PHE 304 HE2 -0.15 -0.14 -0.32 -0.04 7.38 6.73 2pm9A1 PHE 304 HZ -0.32 -0.06 -0.23 -0.04 7.32 6.67 2pm9A1 LYS 305 H -0.69 0.02 0.03 -0.55 8.42 7.22 2pm9A1 LYS 305 HA -0.04 0.27 0.95 -0.75 4.32 4.74 2pm9A1 LYS 305 HB2 -0.52 -0.03 0.03 -0.04 1.87 1.31 2pm9A1 LYS 305 HB3 -0.73 -0.10 -0.03 -0.04 1.79 0.89 2pm9A1 LYS 305 HG2 -0.27 -0.06 -0.05 -0.04 1.46 1.04 2pm9A1 LYS 305 HG3 -0.13 0.08 0.04 -0.04 1.46 1.41 2pm9A1 LYS 305 HD2 -0.35 -0.03 0.01 -0.04 1.69 1.28 2pm9A1 LYS 305 HD3 -1.04 0.05 -0.05 -0.04 1.68 0.59 2pm9A1 LYS 305 HE2 -0.10 -0.08 0.05 -0.04 2.99 2.82 2pm9A1 LYS 305 HE3 -0.05 -0.00 0.08 -0.04 2.99 2.97 2pm9A1 THR 306 H 0.09 0.23 -0.01 -0.55 8.28 8.05 2pm9A1 THR 306 HA 0.31 0.48 0.77 -0.75 4.39 5.20 2pm9A1 THR 306 HB 0.09 -0.07 -0.09 -0.04 4.32 4.21 2pm9A1 THR 306 HG23 0.13 0.00 -0.27 -0.04 1.22 1.04 2pm9A1 LYS 307 H 0.50 0.33 0.21 -0.55 8.42 8.91 2pm9A1 LYS 307 HA 0.11 0.18 0.96 -0.75 4.32 4.82 2pm9A1 LYS 307 HB2 0.77 -0.08 -0.05 -0.04 1.87 2.47 2pm9A1 LYS 307 HB3 0.39 0.12 0.08 -0.04 1.79 2.34 2pm9A1 LYS 307 HG2 0.28 -0.16 -0.35 -0.04 1.46 1.18 2pm9A1 LYS 307 HG3 0.27 0.03 -0.04 -0.04 1.46 1.68 2pm9A1 LYS 307 HD2 0.21 0.00 0.05 -0.04 1.69 1.91 2pm9A1 LYS 307 HD3 0.16 0.40 -0.09 -0.04 1.68 2.11 2pm9A1 LYS 307 HE2 0.08 -0.18 -0.07 -0.04 2.99 2.77 2pm9A1 LYS 307 HE3 0.11 0.01 0.02 -0.04 2.99 3.09 2pm9A1 PHE 308 H 0.15 0.12 0.14 -0.55 8.34 8.20 2pm9A1 PHE 308 HA 0.07 0.21 0.64 -0.75 4.62 4.78 2pm9A1 PHE 308 HB2 0.03 -0.08 0.00 -0.04 3.15 3.06 2pm9A1 PHE 308 HB3 -0.08 0.07 -0.02 -0.04 3.06 2.98 2pm9A1 PHE 308 HD2 0.11 0.04 -0.09 -0.04 7.28 7.30 2pm9A1 PHE 308 HE2 0.07 -0.00 0.01 -0.04 7.38 7.42 2pm9A1 PHE 308 HZ 0.07 -0.02 -0.20 -0.04 7.32 7.13 2pm9A1 ALA 309 H -0.60 0.91 0.19 -0.55 8.40 8.36 2pm9A1 ALA 309 HA -1.69 0.04 0.37 -0.75 4.34 2.30 2pm9A1 ALA 309 HB3 -1.32 -0.02 0.01 -0.04 1.41 0.04 2pm9A1 PRO 310 HA -0.05 0.04 0.37 -0.51 4.44 4.29 2pm9A1 PRO 310 HB2 0.00 0.00 0.03 -0.04 2.28 2.27 2pm9A1 PRO 310 HB3 -0.09 0.05 0.17 -0.04 2.02 2.12 2pm9A1 PRO 310 HG2 -0.34 -0.20 -0.12 -0.04 2.03 1.33 2pm9A1 PRO 310 HG3 -0.63 0.93 0.08 -0.04 2.03 2.37 2pm9A1 PRO 310 HD2 -0.64 -0.06 0.12 -0.04 3.68 3.06 2pm9A1 PRO 310 HD3 -0.04 0.16 0.21 -0.04 3.65 3.95 2pm9A1 GLU 311 H -0.31 0.01 -0.52 -0.55 8.60 7.23 2pm9A1 GLU 311 HA -0.20 0.21 0.85 -0.75 4.29 4.41 2pm9A1 GLU 311 HB2 -0.15 -0.05 -0.34 -0.04 2.09 1.51 2pm9A1 GLU 311 HB3 -0.18 0.01 -0.35 -0.04 1.99 1.43 2pm9A1 GLU 311 HG2 -0.10 -0.01 -0.13 -0.04 2.34 2.05 2pm9A1 GLU 311 HG3 -0.14 -0.01 0.07 -0.04 2.34 2.22 2pm9A1 ALA 312 H -0.35 0.35 -0.20 -0.55 8.40 7.65 2pm9A1 ALA 312 HA -0.27 0.20 0.83 -0.75 4.34 4.36 2pm9A1 ALA 312 HB3 -0.24 0.01 0.08 -0.04 1.41 1.23 2pm9A1 PRO 313 HA -0.26 0.09 0.35 -0.51 4.44 4.11 2pm9A1 PRO 313 HB2 -2.08 0.03 -0.02 -0.04 2.28 0.17 2pm9A1 PRO 313 HB3 -0.93 -0.06 0.12 -0.04 2.02 1.12 2pm9A1 PRO 313 HG2 -1.45 0.06 -0.08 -0.04 2.03 0.51 2pm9A1 PRO 313 HG3 -1.46 0.02 -0.00 -0.04 2.03 0.54 2pm9A1 PRO 313 HD2 -0.48 0.28 -0.38 -0.04 3.68 3.06 2pm9A1 PRO 313 HD3 -0.48 0.17 -0.14 -0.04 3.65 3.16 2pm9A1 ASP 314 H -0.04 0.20 -0.33 -0.55 8.40 7.68 2pm9A1 ASP 314 HA 0.35 0.11 0.74 -0.75 4.63 5.07 2pm9A1 ASP 314 HB2 0.16 0.06 0.08 -0.04 2.71 2.96 2pm9A1 ASP 314 HB3 0.22 -0.07 0.18 -0.04 2.70 3.00 2pm9A1 LEU 315 H -0.02 0.59 0.22 -0.55 8.37 8.62 2pm9A1 LEU 315 HA 0.10 0.32 1.12 -0.75 4.35 5.13 2pm9A1 LEU 315 HB2 -0.27 -0.06 0.20 -0.04 1.64 1.48 2pm9A1 LEU 315 HB3 -0.12 -0.01 0.01 -0.04 1.64 1.48 2pm9A1 LEU 315 HG -0.02 -0.06 -0.02 -0.04 1.64 1.50 2pm9A1 LEU 315 HD13 -0.08 -0.03 0.04 -0.04 0.93 0.82 2pm9A1 LEU 315 HD23 0.04 0.03 -0.01 -0.04 0.89 0.91 2pm9A1 PHE 316 H 0.06 0.75 0.30 -0.55 8.34 8.90 2pm9A1 PHE 316 HA 0.13 0.15 0.82 -0.75 4.62 4.97 2pm9A1 PHE 316 HB2 -0.05 0.06 -0.22 -0.04 3.15 2.90 2pm9A1 PHE 316 HB3 0.10 -0.04 -0.38 -0.04 3.06 2.70 2pm9A1 PHE 316 HD2 -0.07 -0.00 -0.40 -0.04 7.28 6.77 2pm9A1 PHE 316 HE2 -0.37 0.09 -0.36 -0.04 7.38 6.69 2pm9A1 PHE 316 HZ -0.86 0.04 -0.21 -0.04 7.32 6.25 2pm9A1 ALA 317 H 0.65 0.42 0.26 -0.55 8.40 9.19 2pm9A1 ALA 317 HA -0.37 0.35 1.13 -0.75 4.34 4.70 2pm9A1 ALA 317 HB3 -1.28 -0.03 -0.15 -0.04 1.41 -0.10 2pm9A1 CYS 318 H -0.27 0.84 0.24 -0.55 8.50 8.76 2pm9A1 CYS 318 HA 0.12 0.24 1.12 -0.75 4.58 5.30 2pm9A1 CYS 318 HB2 0.03 0.01 -0.17 -0.04 2.97 2.80 2pm9A1 CYS 318 HB3 -0.03 -0.04 0.16 -0.04 2.97 3.02 2pm9A1 ALA 319 H 0.20 0.56 0.18 -0.55 8.40 8.79 2pm9A1 ALA 319 HA -0.06 0.06 0.55 -0.75 4.34 4.13 2pm9A1 ALA 319 HB3 -0.73 -0.07 0.16 -0.04 1.41 0.72 2pm9A1 SER 320 H 0.10 0.28 0.05 -0.55 8.46 8.34 2pm9A1 SER 320 HA 0.60 0.03 0.84 -0.75 4.49 5.22 2pm9A1 SER 320 HB2 0.26 -0.08 -0.05 -0.04 3.95 4.04 2pm9A1 SER 320 HB3 0.20 0.09 -0.20 -0.04 3.93 3.98 2pm9A1 PHE 321 H 0.71 0.31 0.16 -0.55 8.34 8.97 2pm9A1 PHE 321 HA 0.05 -0.06 0.36 -0.75 4.62 4.21 2pm9A1 PHE 321 HB2 -0.17 0.11 0.10 -0.04 3.15 3.15 2pm9A1 PHE 321 HB3 -0.21 0.04 0.03 -0.04 3.06 2.87 2pm9A1 PHE 321 HD2 -0.01 0.01 -0.01 -0.04 7.28 7.23 2pm9A1 PHE 321 HE2 -0.22 -0.07 0.03 -0.04 7.38 7.08 2pm9A1 PHE 321 HZ -0.31 0.08 -0.02 -0.04 7.32 7.03 2pm9A1 ASP 322 H 0.29 0.08 -0.42 -0.55 8.40 7.81 2pm9A1 ASP 322 HA 0.11 0.05 0.24 -0.75 4.63 4.28 2pm9A1 ASP 322 HB2 0.15 -0.12 -0.06 -0.04 2.71 2.64 2pm9A1 ASP 322 HB3 0.09 0.14 -0.13 -0.04 2.70 2.76 2pm9A1 ASN 323 H 0.09 0.03 -0.11 -0.55 8.53 7.99 2pm9A1 ASN 323 HA 0.04 0.22 1.06 -0.75 4.76 5.32 2pm9A1 ASN 323 HB2 0.03 -0.05 0.15 -0.04 2.88 2.97 2pm9A1 ASN 323 HB3 0.02 0.01 0.04 -0.04 2.79 2.81 2pm9A1 ASN 323 HD21 0.03 0.01 -0.08 -0.04 7.03 6.96 2pm9A1 ASN 323 HD22 0.04 0.08 -0.04 -0.04 7.74 7.77 2pm9A1 LYS 324 H 0.02 0.12 0.12 -0.55 8.42 8.13 2pm9A1 LYS 324 HA 0.02 0.17 0.86 -0.75 4.32 4.61 2pm9A1 LYS 324 HB2 -0.05 -0.05 -0.12 -0.04 1.87 1.61 2pm9A1 LYS 324 HB3 -0.01 0.23 -0.15 -0.04 1.79 1.83 2pm9A1 LYS 324 HG2 0.01 -0.07 -0.50 -0.04 1.46 0.85 2pm9A1 LYS 324 HG3 0.01 -0.29 -0.45 -0.04 1.46 0.68 2pm9A1 LYS 324 HD2 -0.03 -0.06 -0.07 -0.04 1.69 1.48 2pm9A1 LYS 324 HD3 -0.03 0.39 -0.01 -0.04 1.68 1.99 2pm9A1 LYS 324 HE2 0.01 -0.08 -0.07 -0.04 2.99 2.81 2pm9A1 LYS 324 HE3 0.00 -0.06 -0.07 -0.04 2.99 2.82 2pm9A1 ILE 325 H 0.02 0.40 0.03 -0.55 8.25 8.16 2pm9A1 ILE 325 HA -0.05 0.09 0.58 -0.75 4.18 4.04 2pm9A1 ILE 325 HB 0.11 -0.00 0.03 -0.04 1.89 1.98 2pm9A1 ILE 325 HG12 -0.04 -0.10 -0.18 -0.04 1.49 1.13 2pm9A1 ILE 325 HG13 0.03 -0.02 -0.07 -0.04 1.21 1.11 2pm9A1 ILE 325 HG23 -0.22 -0.03 -0.33 -0.04 0.93 0.32 2pm9A1 ILE 325 HD13 -0.01 -0.03 -0.23 -0.04 0.88 0.58 2pm9A1 GLU 326 H -0.14 0.46 0.20 -0.55 8.60 8.57 2pm9A1 GLU 326 HA -0.32 0.20 0.91 -0.75 4.29 4.34 2pm9A1 GLU 326 HB2 -0.12 -0.04 -0.04 -0.04 2.09 1.85 2pm9A1 GLU 326 HB3 -0.13 -0.03 0.13 -0.04 1.99 1.92 2pm9A1 GLU 326 HG2 -0.21 0.03 -0.41 -0.04 2.34 1.71 2pm9A1 GLU 326 HG3 -0.18 0.11 0.01 -0.04 2.34 2.23 2pm9A1 VAL 327 H -0.36 0.57 0.25 -0.55 8.24 8.15 2pm9A1 VAL 327 HA -0.31 0.05 1.00 -0.75 4.13 4.12 2pm9A1 VAL 327 HB -0.15 0.17 -0.00 -0.04 2.12 2.10 2pm9A1 VAL 327 HG13 0.11 -0.03 -0.12 -0.04 0.97 0.88 2pm9A1 VAL 327 HG23 -0.34 0.00 -0.22 -0.04 0.95 0.35 2pm9A1 GLN 328 H -0.51 0.86 0.41 -0.55 8.47 8.68 2pm9A1 GLN 328 HA -0.17 0.22 0.91 -0.75 4.36 4.57 2pm9A1 GLN 328 HB2 -1.25 -0.06 -0.12 -0.04 2.15 0.69 2pm9A1 GLN 328 HB3 -0.12 0.07 0.06 -0.04 2.02 1.98 2pm9A1 GLN 328 HG2 -0.06 0.04 -0.03 -0.04 2.40 2.30 2pm9A1 GLN 328 HG3 -0.25 0.02 -0.51 -0.04 2.39 1.61 2pm9A1 GLN 328 HE21 0.19 0.12 -0.12 -0.04 6.97 7.13 2pm9A1 GLN 328 HE22 0.13 0.04 -0.08 -0.04 7.69 7.74 2pm9A1 THR 329 H 0.06 0.26 0.22 -0.55 8.28 8.27 2pm9A1 THR 329 HA 0.15 0.30 1.11 -0.75 4.39 5.20 2pm9A1 THR 329 HB 0.13 0.53 0.29 -0.04 4.32 5.23 2pm9A1 THR 329 HG23 0.13 -0.08 0.12 -0.04 1.22 1.35 2pm9A1 LEU 330 H 0.30 0.69 0.31 -0.55 8.37 9.12 2pm9A1 LEU 330 HA 0.38 0.02 0.29 -0.75 4.35 4.29 2pm9A1 LEU 330 HB2 0.31 0.03 0.20 -0.04 1.64 2.14 2pm9A1 LEU 330 HB3 0.21 -0.05 0.00 -0.04 1.64 1.76 2pm9A1 LEU 330 HG 0.20 0.01 0.03 -0.04 1.64 1.84 2pm9A1 LEU 330 HD13 0.28 0.01 -0.06 -0.04 0.93 1.11 2pm9A1 LEU 330 HD23 0.19 0.04 0.01 -0.04 0.89 1.08 2pm9A1 GLN 331 H 0.22 0.02 -0.59 -0.55 8.47 7.57 2pm9A1 GLN 331 HA 0.11 0.22 0.69 -0.75 4.36 4.63 2pm9A1 GLN 331 HB2 0.10 -0.03 -0.04 -0.04 2.15 2.13 2pm9A1 GLN 331 HB3 0.05 -0.13 0.03 -0.04 2.02 1.93 2pm9A1 GLN 331 HG2 0.01 0.19 -0.12 -0.04 2.40 2.43 2pm9A1 GLN 331 HG3 0.04 -0.04 -0.22 -0.04 2.39 2.13 2pm9A1 GLN 331 HE21 0.02 -0.02 -0.04 -0.04 6.97 6.88 2pm9A1 GLN 331 HE22 -0.01 0.00 -0.06 -0.04 7.69 7.58 2pm9A1 ASN 332 H 0.03 0.11 -0.17 -0.55 8.53 7.96 2pm9A1 ASN 332 HA 0.05 0.02 0.34 -0.75 4.76 4.41 2pm9A1 ASN 332 HB2 0.10 0.23 0.11 -0.04 2.88 3.28 2pm9A1 ASN 332 HB3 0.06 0.06 0.02 -0.04 2.79 2.89 2pm9A1 ASN 332 HD21 0.02 -0.06 0.01 -0.04 7.03 6.97 2pm9A1 ASN 332 HD22 0.04 -0.04 0.08 -0.04 7.74 7.78 2pm9A1 LEU 333 H 0.02 0.09 0.07 -0.55 8.37 8.01 2pm9A1 LEU 333 HA -0.02 0.08 0.51 -0.75 4.35 4.17 2pm9A1 LEU 333 HB2 0.02 0.02 -0.00 -0.04 1.64 1.64 2pm9A1 LEU 333 HB3 0.00 0.07 0.05 -0.04 1.64 1.72 2pm9A1 LEU 333 HG 0.02 -0.03 0.04 -0.04 1.64 1.63 2pm9A1 LEU 333 HD13 0.02 0.01 0.00 -0.04 0.93 0.93 2pm9A1 LEU 333 HD23 -0.03 -0.06 -0.06 -0.04 0.89 0.71 2pm9A1 THR 334 H -0.01 0.08 0.13 -0.55 8.28 7.94 2pm9A1 THR 334 HA -0.00 0.01 0.37 -0.75 4.39 4.01 2pm9A1 THR 334 HB -0.01 0.04 0.09 -0.04 4.32 4.40 2pm9A1 THR 334 HG23 -0.01 -0.00 -0.04 -0.04 1.22 1.13 2pm9A1 ASN 335 H 0.00 0.09 0.18 -0.55 8.53 8.26 2pm9A1 ASN 335 HA 0.01 0.09 0.32 -0.75 4.76 4.43 2pm9A1 ASN 335 HB2 0.00 0.11 0.19 -0.04 2.88 3.14 2pm9A1 ASN 335 HB3 0.01 -0.16 0.21 -0.04 2.79 2.81 2pm9A1 ASN 335 HD21 0.01 0.03 0.05 -0.04 7.03 7.08 2pm9A1 ASN 335 HD22 0.00 0.29 0.14 -0.04 7.74 8.13 2pm9A1 THR 336 H 0.00 0.05 -0.04 -0.55 8.28 7.74 2pm9A1 THR 336 HA 0.00 0.07 0.27 -0.75 4.39 3.98 2pm9A1 THR 336 HB 0.01 -0.12 -0.20 -0.04 4.32 3.96 2pm9A1 THR 336 HG23 0.00 -0.01 -0.17 -0.04 1.22 1.01 2pm9A1 LEU 337 H 0.01 0.10 0.08 -0.55 8.37 8.01 2pm9A1 LEU 337 HA 0.00 0.10 0.41 -0.75 4.35 4.11 2pm9A1 LEU 337 HB2 0.01 -0.18 0.27 -0.04 1.64 1.70 2pm9A1 LEU 337 HB3 0.01 0.06 0.11 -0.04 1.64 1.78 2pm9A1 LEU 337 HG 0.01 -0.03 0.08 -0.04 1.64 1.65 2pm9A1 LEU 337 HD13 0.01 0.02 0.05 -0.04 0.93 0.96 2pm9A1 LEU 337 HD23 0.01 0.02 0.01 -0.04 0.89 0.88 2pm9A1 ASP 338 H 0.00 0.07 0.11 -0.55 8.40 8.04 2pm9A1 ASP 338 HA 0.00 0.15 0.66 -0.75 4.63 4.69 2pm9A1 ASP 338 HB2 0.00 -0.01 0.13 -0.04 2.71 2.79 2pm9A1 ASP 338 HB3 0.00 0.04 -0.01 -0.04 2.70 2.68 2pm9A1 GLU 339 H 0.00 0.19 0.05 -0.55 8.60 8.30 2pm9A1 GLU 339 HA -0.00 0.20 0.62 -0.75 4.29 4.36 2pm9A1 GLU 339 HB2 -0.00 0.09 -0.12 -0.04 2.09 2.02 2pm9A1 GLU 339 HB3 -0.00 0.00 0.06 -0.04 1.99 2.01 2pm9A1 GLU 339 HG2 -0.00 0.00 0.02 -0.04 2.34 2.32 2pm9A1 GLU 339 HG3 -0.00 0.01 -0.04 -0.04 2.34 2.27 2pm9A1 SER 362 HA 0.01 -0.02 0.18 -0.75 4.49 3.90 2pm9A1 SER 362 HB2 0.00 0.04 0.15 -0.04 3.95 4.10 2pm9A1 SER 362 HB3 0.01 -0.02 0.06 -0.04 3.93 3.94 2pm9A1 LYS 363 H 0.00 0.06 0.09 -0.55 8.42 8.02 2pm9A1 LYS 363 HA -0.01 -0.03 0.31 -0.75 4.32 3.84 2pm9A1 LYS 363 HB2 -0.01 0.04 0.04 -0.04 1.87 1.91 2pm9A1 LYS 363 HB3 -0.03 -0.13 0.14 -0.04 1.79 1.74 2pm9A1 LYS 363 HG2 -0.02 -0.02 0.09 -0.04 1.46 1.47 2pm9A1 LYS 363 HG3 -0.01 0.04 0.12 -0.04 1.46 1.57 2pm9A1 LYS 363 HD2 -0.02 0.04 0.03 -0.04 1.69 1.70 2pm9A1 LYS 363 HD3 -0.04 -0.02 0.07 -0.04 1.68 1.65 2pm9A1 LYS 363 HE2 -0.03 -0.02 0.03 -0.04 2.99 2.93 2pm9A1 LYS 363 HE3 -0.02 0.01 0.03 -0.04 2.99 2.97 2pm9A1 GLU 364 H -0.02 -0.03 0.19 -0.55 8.60 8.19 2pm9A1 GLU 364 HA 0.00 0.24 0.84 -0.75 4.29 4.62 2pm9A1 GLU 364 HB2 -0.01 -0.01 0.06 -0.04 2.09 2.10 2pm9A1 GLU 364 HB3 -0.02 -0.11 0.09 -0.04 1.99 1.91 2pm9A1 GLU 364 HG2 -0.01 0.19 -0.17 -0.04 2.34 2.31 2pm9A1 GLU 364 HG3 0.01 0.02 0.05 -0.04 2.34 2.38 2pm9A1 LYS 365 H -0.05 -0.11 0.09 -0.55 8.42 7.80 2pm9A1 LYS 365 HA -0.10 0.14 0.25 -0.75 4.32 3.85 2pm9A1 LYS 365 HB2 -0.01 0.76 0.62 -0.04 1.87 3.20 2pm9A1 LYS 365 HB3 -0.11 -0.10 -0.08 -0.04 1.79 1.46 2pm9A1 LYS 365 HG2 -0.48 -0.01 -0.14 -0.04 1.46 0.79 2pm9A1 LYS 365 HG3 -0.03 0.04 -0.06 -0.04 1.46 1.37 2pm9A1 LYS 365 HD2 -0.49 -0.03 -0.18 -0.04 1.69 0.94 2pm9A1 LYS 365 HD3 -1.33 -0.00 -0.20 -0.04 1.68 0.10 2pm9A1 LYS 365 HE2 -0.03 0.03 -0.24 -0.04 2.99 2.71 2pm9A1 LYS 365 HE3 -0.13 0.01 -0.15 -0.04 2.99 2.68 2pm9A1 PRO 366 HA -0.12 -0.04 0.42 -0.51 4.44 4.20 2pm9A1 PRO 366 HB2 -0.12 0.03 -0.00 -0.04 2.28 2.14 2pm9A1 PRO 366 HB3 -0.09 -0.02 0.14 -0.04 2.02 2.01 2pm9A1 PRO 366 HG2 -0.13 0.15 0.14 -0.04 2.03 2.15 2pm9A1 PRO 366 HG3 -0.08 0.01 0.09 -0.04 2.03 2.01 2pm9A1 PRO 366 HD2 -0.08 0.26 0.19 -0.04 3.68 4.01 2pm9A1 PRO 366 HD3 -0.06 -0.06 0.23 -0.04 3.65 3.71 2pm9A1 SER 367 H -0.14 0.11 0.23 -0.55 8.46 8.11 2pm9A1 SER 367 HA -0.25 -0.01 1.18 -0.75 4.49 4.66 2pm9A1 SER 367 HB2 -0.22 0.21 0.02 -0.04 3.95 3.92 2pm9A1 SER 367 HB3 -0.23 0.07 0.02 -0.04 3.93 3.74 2pm9A1 VAL 368 H -0.24 0.06 0.03 -0.55 8.24 7.54 2pm9A1 VAL 368 HA -0.26 -0.00 0.50 -0.75 4.13 3.62 2pm9A1 VAL 368 HB -0.58 -0.14 0.22 -0.04 2.12 1.57 2pm9A1 VAL 368 HG13 -0.29 -0.02 -0.05 -0.04 0.97 0.57 2pm9A1 VAL 368 HG23 -0.30 0.04 -0.35 -0.04 0.95 0.30 2pm9A1 PHE 369 H -0.72 0.06 0.17 -0.55 8.34 7.30 2pm9A1 PHE 369 HA -0.02 -0.05 0.29 -0.75 4.62 4.08 2pm9A1 PHE 369 HB2 -0.04 0.07 -0.00 -0.04 3.15 3.14 2pm9A1 PHE 369 HB3 -0.01 -0.06 0.19 -0.04 3.06 3.14 2pm9A1 PHE 369 HD2 -0.03 -0.05 0.08 -0.04 7.28 7.23 2pm9A1 PHE 369 HE2 -0.02 -0.01 0.05 -0.04 7.38 7.36 2pm9A1 PHE 369 HZ -0.02 0.01 0.03 -0.04 7.32 7.30 2pm9A1 HIS 370 H 0.04 0.78 0.68 -0.55 8.41 9.37 2pm9A1 HIS 370 HA -0.03 0.03 0.37 -0.75 4.63 4.23 2pm9A1 HIS 370 HB2 0.01 -0.02 -0.03 -0.04 3.26 3.18 2pm9A1 HIS 370 HB3 0.00 0.08 0.34 -0.04 3.20 3.58 2pm9A1 HIS 370 HD2 -0.03 0.07 0.05 -0.04 6.97 7.02 2pm9A1 HIS 370 HE1 -0.07 0.02 -0.13 -0.04 7.75 7.53 2pm9A1 LEU 371 H -1.90 0.05 0.07 -0.55 8.37 6.03 2pm9A1 LEU 371 HA -0.17 0.20 0.62 -0.75 4.35 4.24 2pm9A1 LEU 371 HB2 -0.38 0.02 -0.18 -0.04 1.64 1.07 2pm9A1 LEU 371 HB3 -0.47 -0.08 -0.02 -0.04 1.64 1.02 2pm9A1 LEU 371 HG -0.12 -0.04 0.01 -0.04 1.64 1.45 2pm9A1 LEU 371 HD13 -0.05 0.01 -0.07 -0.04 0.93 0.78 2pm9A1 LEU 371 HD23 -0.09 0.13 0.02 -0.04 0.89 0.92 2pm9A1 GLN 372 H 0.21 0.12 -0.12 -0.55 8.47 8.14 2pm9A1 GLN 372 HA 0.20 -0.07 0.33 -0.75 4.36 4.06 2pm9A1 GLN 372 HB2 0.02 0.02 -0.03 -0.04 2.15 2.11 2pm9A1 GLN 372 HB3 0.06 0.03 0.02 -0.04 2.02 2.09 2pm9A1 GLN 372 HG2 0.01 -0.00 -0.25 -0.04 2.40 2.12 2pm9A1 GLN 372 HG3 -0.04 0.08 -0.11 -0.04 2.39 2.28 2pm9A1 GLN 372 HE21 0.02 -0.10 0.01 -0.04 6.97 6.86 2pm9A1 GLN 372 HE22 0.03 0.01 -0.04 -0.04 7.69 7.64 2pm9A1 ALA 373 H 0.02 -0.01 0.02 -0.55 8.40 7.88 2pm9A1 ALA 373 HA -0.34 0.11 0.32 -0.75 4.34 3.68 2pm9A1 ALA 373 HB3 -0.15 -0.01 0.02 -0.04 1.41 1.23 2pm9A1 PRO 374 HA -0.56 0.04 0.43 -0.51 4.44 3.85 2pm9A1 PRO 374 HB2 -3.48 -0.14 -0.10 -0.04 2.28 -1.47 2pm9A1 PRO 374 HB3 -1.62 0.08 0.04 -0.04 2.02 0.48 2pm9A1 PRO 374 HG2 -1.78 -0.00 -0.04 -0.04 2.03 0.17 2pm9A1 PRO 374 HG3 -1.03 0.06 -0.01 -0.04 2.03 1.01 2pm9A1 PRO 374 HD2 -0.84 0.02 0.17 -0.04 3.68 3.00 2pm9A1 PRO 374 HD3 -0.54 0.31 0.11 -0.04 3.65 3.49 2pm9A1 THR 375 H -0.26 0.09 0.11 -0.55 8.28 7.67 2pm9A1 THR 375 HA -0.08 0.11 0.33 -0.75 4.39 3.99 2pm9A1 THR 375 HB -0.00 0.04 0.15 -0.04 4.32 4.47 2pm9A1 THR 375 HG23 -0.11 -0.01 0.11 -0.04 1.22 1.17 2pm9A1 TRP 376 H -0.14 0.03 -0.57 -0.55 7.97 6.75 2pm9A1 TRP 376 HA 0.04 0.17 0.58 -0.75 4.62 4.66 2pm9A1 TRP 376 HB2 0.04 0.04 0.14 -0.04 3.23 3.41 2pm9A1 TRP 376 HB3 0.01 -0.02 0.02 -0.04 3.23 3.20 2pm9A1 TRP 376 HD1 0.23 0.04 0.03 -0.04 7.22 7.48 2pm9A1 TRP 376 HE1 0.25 0.00 -0.09 -0.04 10.20 10.31 2pm9A1 TRP 376 HE3 -0.06 0.00 -0.20 -0.04 7.59 7.29 2pm9A1 TRP 376 HZ2 -0.07 0.07 -0.35 -0.04 7.44 7.06 2pm9A1 TRP 376 HZ3 -0.18 -0.09 -0.05 -0.04 7.13 6.76 2pm9A1 TRP 376 HH2 -0.30 0.13 -0.04 -0.04 7.19 6.93 2pm9A1 TYR 377 H 0.08 -0.07 -0.91 -0.55 8.29 6.84 2pm9A1 TYR 377 HA -0.00 0.11 0.58 -0.75 4.56 4.49 2pm9A1 TYR 377 HB2 -0.27 0.39 -0.13 -0.04 3.06 3.01 2pm9A1 TYR 377 HB3 -0.10 -0.07 -0.08 -0.04 2.98 2.69 2pm9A1 TYR 377 HD2 -0.24 -0.00 -0.36 -0.04 7.15 6.51 2pm9A1 TYR 377 HE2 0.17 -0.04 -0.04 -0.04 6.85 6.91 2pm9A1 GLY 378 H 0.06 0.11 0.02 -0.55 8.43 8.07 2pm9A1 GLY 378 HA2 0.03 0.01 0.47 -0.51 4.01 4.01 2pm9A1 GLY 378 HA3 0.03 0.03 0.38 -0.51 4.01 3.94 2pm9A1 GLU 379 H 0.02 0.20 0.18 -0.55 8.60 8.45 2pm9A1 GLU 379 HA 0.02 0.14 0.78 -0.75 4.29 4.47 2pm9A1 GLU 379 HB2 0.00 0.05 0.00 -0.04 2.09 2.10 2pm9A1 GLU 379 HB3 0.01 0.03 0.20 -0.04 1.99 2.18 2pm9A1 GLU 379 HG2 0.00 0.11 0.08 -0.04 2.34 2.49 2pm9A1 GLU 379 HG3 0.00 -0.10 0.00 -0.04 2.34 2.21 2pm9A1 PRO 380 HA 0.00 0.09 0.38 -0.51 4.44 4.40 2pm9A1 PRO 380 HB2 0.01 0.00 -0.02 -0.04 2.28 2.23 2pm9A1 PRO 380 HB3 0.01 -0.00 0.03 -0.04 2.02 2.02 2pm9A1 PRO 380 HG2 0.01 -0.03 0.01 -0.04 2.03 1.98 2pm9A1 PRO 380 HG3 0.01 0.02 0.03 -0.04 2.03 2.05 2pm9A1 PRO 380 HD2 0.02 0.30 0.30 -0.04 3.68 4.26 2pm9A1 PRO 380 HD3 0.02 0.04 -0.25 -0.04 3.65 3.42 2pm9A1 SER 381 H 0.01 -0.02 -0.49 -0.55 8.46 7.41 2pm9A1 SER 381 HA -0.00 0.02 0.29 -0.75 4.49 4.05 2pm9A1 SER 381 HB2 -0.00 -0.04 0.06 -0.04 3.95 3.92 2pm9A1 SER 381 HB3 0.00 0.00 0.04 -0.04 3.93 3.94 2pm9A1 PRO 382 HA -0.01 0.23 0.51 -0.51 4.44 4.66 2pm9A1 PRO 382 HB2 -0.03 -0.08 0.05 -0.04 2.28 2.17 2pm9A1 PRO 382 HB3 -0.03 0.06 0.16 -0.04 2.02 2.17 2pm9A1 PRO 382 HG2 -0.02 -0.03 0.06 -0.04 2.03 2.01 2pm9A1 PRO 382 HG3 -0.01 0.15 0.05 -0.04 2.03 2.18 2pm9A1 PRO 382 HD2 -0.01 0.02 0.19 -0.04 3.68 3.84 2pm9A1 PRO 382 HD3 -0.01 0.12 0.12 -0.04 3.65 3.84 2pm9A1 ALA 383 H -0.00 -0.03 -0.54 -0.55 8.40 7.27 2pm9A1 ALA 383 HA 0.02 -0.06 0.28 -0.75 4.34 3.83 2pm9A1 ALA 383 HB3 0.03 0.02 -0.03 -0.04 1.41 1.39 2pm9A1 ALA 384 H -0.02 -0.05 -0.09 -0.55 8.40 7.69 2pm9A1 ALA 384 HA -0.00 0.18 0.42 -0.75 4.34 4.18 2pm9A1 ALA 384 HB3 -0.17 -0.02 0.02 -0.04 1.41 1.21 2pm9A1 HIS 385 H -0.07 0.30 0.10 -0.55 8.41 8.21 2pm9A1 HIS 385 HA -0.07 0.06 0.64 -0.75 4.63 4.51 2pm9A1 HIS 385 HB2 -0.03 -0.06 -0.05 -0.04 3.26 3.08 2pm9A1 HIS 385 HB3 0.02 0.12 -0.04 -0.04 3.20 3.25 2pm9A1 HIS 385 HD2 0.03 -0.03 0.01 -0.04 6.97 6.94 2pm9A1 HIS 385 HE1 -0.01 -0.04 -0.08 -0.04 7.75 7.58 2pm9A1 TRP 386 H 0.16 0.09 0.16 -0.55 7.97 7.84 2pm9A1 TRP 386 HA 0.04 0.22 0.69 -0.75 4.62 4.81 2pm9A1 TRP 386 HB2 0.01 -0.04 0.09 -0.04 3.23 3.25 2pm9A1 TRP 386 HB3 0.01 -0.04 0.02 -0.04 3.23 3.18 2pm9A1 TRP 386 HD1 -0.03 -0.01 0.01 -0.04 7.22 7.16 2pm9A1 TRP 386 HE1 -0.02 0.01 -0.04 -0.04 10.20 10.11 2pm9A1 TRP 386 HE3 0.00 0.02 -0.23 -0.04 7.59 7.34 2pm9A1 TRP 386 HZ2 -0.01 -0.01 -0.05 -0.04 7.44 7.34 2pm9A1 TRP 386 HZ3 -0.01 0.15 -0.06 -0.04 7.13 7.17 2pm9A1 TRP 386 HH2 -0.00 -0.01 -0.07 -0.04 7.19 7.07 2pm9A1 ALA 387 H 0.31 0.44 0.23 -0.55 8.40 8.83 2pm9A1 ALA 387 HA 0.20 -0.04 0.46 -0.75 4.34 4.20 2pm9A1 ALA 387 HB3 0.15 0.06 -0.07 -0.04 1.41 1.50 2pm9A1 PHE 388 H 0.24 0.14 0.12 -0.55 8.34 8.29 2pm9A1 PHE 388 HA 0.05 -0.07 0.45 -0.75 4.62 4.29 2pm9A1 PHE 388 HB2 0.04 0.02 0.12 -0.04 3.15 3.29 2pm9A1 PHE 388 HB3 0.04 0.04 -0.01 -0.04 3.06 3.09 2pm9A1 PHE 388 HD2 0.03 -0.00 0.01 -0.04 7.28 7.27 2pm9A1 PHE 388 HE2 0.02 0.00 -0.02 -0.04 7.38 7.33 2pm9A1 PHE 388 HZ 0.01 0.00 -0.03 -0.04 7.32 7.27 2pm9A1 GLY 389 H -0.24 0.07 0.13 -0.55 8.43 7.85 2pm9A1 GLY 389 HA2 -0.33 0.00 0.35 -0.51 4.01 3.52 2pm9A1 GLY 389 HA3 -0.48 0.17 0.65 -0.51 4.01 3.84 2pm9A1 GLY 390 H -0.00 -0.03 -0.18 -0.55 8.43 7.67 2pm9A1 GLY 390 HA2 0.12 -0.05 0.26 -0.51 4.01 3.83 2pm9A1 GLY 390 HA3 0.04 0.08 0.44 -0.51 4.01 4.06 2pm9A1 LYS 391 H 0.11 0.41 -0.21 -0.55 8.42 8.18 2pm9A1 LYS 391 HA 0.10 0.23 0.86 -0.75 4.32 4.75 2pm9A1 LYS 391 HB2 0.10 -0.07 0.03 -0.04 1.87 1.89 2pm9A1 LYS 391 HB3 0.06 -0.03 0.04 -0.04 1.79 1.82 2pm9A1 LYS 391 HG2 0.03 -0.03 -0.09 -0.04 1.46 1.33 2pm9A1 LYS 391 HG3 0.08 0.46 0.14 -0.04 1.46 2.10 2pm9A1 LYS 391 HD2 0.09 -0.07 -0.04 -0.04 1.69 1.62 2pm9A1 LYS 391 HD3 0.06 -0.06 -0.07 -0.04 1.68 1.57 2pm9A1 LYS 391 HE2 0.13 -0.08 -0.02 -0.04 2.99 2.98 2pm9A1 LYS 391 HE3 0.08 0.01 0.04 -0.04 2.99 3.08 2pm9A1 LEU 392 H 0.00 0.67 0.36 -0.55 8.37 8.85 2pm9A1 LEU 392 HA -0.24 0.18 0.99 -0.75 4.35 4.53 2pm9A1 LEU 392 HB2 -0.56 -0.02 -0.00 -0.04 1.64 1.01 2pm9A1 LEU 392 HB3 -0.20 -0.06 0.13 -0.04 1.64 1.46 2pm9A1 LEU 392 HG -0.32 0.25 -0.17 -0.04 1.64 1.35 2pm9A1 LEU 392 HD13 -1.16 0.01 -0.14 -0.04 0.93 -0.40 2pm9A1 LEU 392 HD23 -0.43 -0.03 -0.06 -0.04 0.89 0.33 2pm9A1 VAL 393 H -0.08 0.60 0.31 -0.55 8.24 8.52 2pm9A1 VAL 393 HA -0.04 0.16 0.74 -0.75 4.13 4.24 2pm9A1 VAL 393 HB -0.02 -0.02 0.10 -0.04 2.12 2.14 2pm9A1 VAL 393 HG13 -0.03 -0.06 0.12 -0.04 0.97 0.97 2pm9A1 VAL 393 HG23 0.03 0.09 0.01 -0.04 0.95 1.03 2pm9A1 GLN 394 H -0.04 0.16 0.33 -0.55 8.47 8.38 2pm9A1 GLN 394 HA -0.04 0.23 0.24 -0.75 4.36 4.04 2pm9A1 GLN 394 HB2 -0.05 -0.07 0.19 -0.04 2.15 2.18 2pm9A1 GLN 394 HB3 -0.08 0.26 0.41 -0.04 2.02 2.56 2pm9A1 GLN 394 HG2 -0.06 0.08 -0.44 -0.04 2.40 1.94 2pm9A1 GLN 394 HG3 -0.04 -0.08 -0.35 -0.04 2.39 1.88 2pm9A1 GLN 394 HE21 -0.03 -0.05 -0.13 -0.04 6.97 6.72 2pm9A1 GLN 394 HE22 -0.03 -0.04 -0.31 -0.04 7.69 7.27 2pm9A1 ILE 395 H -0.03 0.33 0.23 -0.55 8.25 8.23 2pm9A1 ILE 395 HA -0.02 0.06 0.80 -0.75 4.18 4.26 2pm9A1 ILE 395 HB -0.02 0.08 0.08 -0.04 1.89 2.00 2pm9A1 ILE 395 HG12 -0.02 -0.07 -0.13 -0.04 1.49 1.22 2pm9A1 ILE 395 HG13 -0.03 -0.04 -0.52 -0.04 1.21 0.59 2pm9A1 ILE 395 HG23 -0.01 0.02 -0.18 -0.04 0.93 0.71 2pm9A1 ILE 395 HD13 -0.02 0.01 -0.10 -0.04 0.88 0.73 2pm9A1 THR 396 H -0.02 0.77 0.20 -0.55 8.28 8.69 2pm9A1 THR 396 HA -0.02 0.15 0.44 -0.75 4.39 4.21 2pm9A1 THR 396 HB -0.01 -0.01 0.17 -0.04 4.32 4.43 2pm9A1 THR 396 HG23 -0.01 0.06 -0.08 -0.04 1.22 1.15 2pm9A1 PRO 397 HA -0.00 0.17 0.47 -0.51 4.44 4.57 2pm9A1 PRO 397 HB2 -0.00 0.00 0.07 -0.04 2.28 2.30 2pm9A1 PRO 397 HB3 -0.00 0.04 0.16 -0.04 2.02 2.18 2pm9A1 PRO 397 HG2 -0.01 0.03 0.07 -0.04 2.03 2.08 2pm9A1 PRO 397 HG3 -0.01 0.08 0.06 -0.04 2.03 2.12 2pm9A1 PRO 397 HD2 -0.01 0.09 0.17 -0.04 3.68 3.89 2pm9A1 PRO 397 HD3 -0.01 0.16 0.19 -0.04 3.65 3.95 2pm9A1 ASP 398 H -0.01 0.04 -0.91 -0.55 8.40 6.97 2pm9A1 ASP 398 HA -0.00 0.25 0.83 -0.75 4.63 4.96 2pm9A1 ASP 398 HB2 -0.00 0.06 0.11 -0.04 2.71 2.84 2pm9A1 ASP 398 HB3 -0.00 0.01 -0.09 -0.04 2.70 2.57 2pm9A1 GLY 399 H -0.01 0.51 -0.05 -0.55 8.43 8.34 2pm9A1 GLY 399 HA2 -0.01 0.19 0.31 -0.51 4.01 3.99 2pm9A1 GLY 399 HA3 -0.00 0.05 0.25 -0.51 4.01 3.80 2pm9A1 LYS 400 H -0.01 0.03 -0.89 -0.55 8.42 7.00 2pm9A1 LYS 400 HA -0.01 0.24 0.91 -0.75 4.32 4.70 2pm9A1 LYS 400 HB2 -0.01 -0.02 0.03 -0.04 1.87 1.83 2pm9A1 LYS 400 HB3 -0.01 -0.04 0.06 -0.04 1.79 1.76 2pm9A1 LYS 400 HG2 -0.01 -0.01 -0.01 -0.04 1.46 1.39 2pm9A1 LYS 400 HG3 -0.01 0.08 -0.14 -0.04 1.46 1.35 2pm9A1 LYS 400 HD2 -0.00 0.02 0.03 -0.04 1.69 1.69 2pm9A1 LYS 400 HD3 -0.01 -0.05 0.01 -0.04 1.68 1.59 2pm9A1 LYS 400 HE2 -0.01 -0.02 -0.01 -0.04 2.99 2.91 2pm9A1 LYS 400 HE3 -0.00 0.05 -0.02 -0.04 2.99 2.97 2pm9A1 GLY 401 H -0.01 -0.04 -0.08 -0.55 8.43 7.75 2pm9A1 GLY 401 HA2 -0.01 0.17 0.95 -0.51 4.01 4.61 2pm9A1 GLY 401 HA3 -0.01 0.01 0.31 -0.51 4.01 3.81 2pm9A1 VAL 402 H -0.01 0.12 0.15 -0.55 8.24 7.94 2pm9A1 VAL 402 HA -0.02 0.27 0.61 -0.75 4.13 4.23 2pm9A1 VAL 402 HB -0.02 -0.06 0.11 -0.04 2.12 2.12 2pm9A1 VAL 402 HG13 -0.02 0.02 0.01 -0.04 0.97 0.94 2pm9A1 VAL 402 HG23 -0.02 0.04 0.06 -0.04 0.95 0.98 2pm9A1 SER 403 H -0.02 0.36 0.16 -0.55 8.46 8.41 2pm9A1 SER 403 HA -0.01 0.04 0.55 -0.75 4.49 4.31 2pm9A1 SER 403 HB2 -0.02 0.09 -0.31 -0.04 3.95 3.68 2pm9A1 SER 403 HB3 -0.03 -0.03 -0.23 -0.04 3.93 3.60 2pm9A1 ILE 404 H -0.01 0.19 0.13 -0.55 8.25 8.00 2pm9A1 ILE 404 HA -0.01 0.23 0.91 -0.75 4.18 4.56 2pm9A1 ILE 404 HB 0.01 -0.03 0.06 -0.04 1.89 1.89 2pm9A1 ILE 404 HG12 -0.00 -0.13 -0.27 -0.04 1.49 1.04 2pm9A1 ILE 404 HG13 0.01 0.00 -0.05 -0.04 1.21 1.13 2pm9A1 ILE 404 HG23 0.03 0.01 -0.12 -0.04 0.93 0.81 2pm9A1 ILE 404 HD13 0.01 0.02 -0.05 -0.04 0.88 0.82 2pm9A1 THR 405 H -0.01 0.37 0.16 -0.55 8.28 8.25 2pm9A1 THR 405 HA 0.01 0.11 0.55 -0.75 4.39 4.30 2pm9A1 THR 405 HB -0.00 -0.07 -0.00 -0.04 4.32 4.21 2pm9A1 THR 405 HG23 -0.01 0.01 -0.13 -0.04 1.22 1.05 2pm9A1 ASN 406 H 0.02 0.22 0.08 -0.55 8.53 8.30 2pm9A1 ASN 406 HA 0.08 0.29 0.95 -0.75 4.76 5.33 2pm9A1 ASN 406 HB2 0.03 -0.03 -0.06 -0.04 2.88 2.79 2pm9A1 ASN 406 HB3 0.03 -0.07 0.18 -0.04 2.79 2.88 2pm9A1 ASN 406 HD21 0.00 -0.01 0.03 -0.04 7.03 7.01 2pm9A1 ASN 406 HD22 0.01 -0.09 0.01 -0.04 7.74 7.63 2pm9A1 PRO 407 HA 0.05 0.08 0.60 -0.51 4.44 4.65 2pm9A1 PRO 407 HB2 0.11 0.04 -0.04 -0.04 2.28 2.34 2pm9A1 PRO 407 HB3 0.04 0.02 0.03 -0.04 2.02 2.07 2pm9A1 PRO 407 HG2 0.32 0.02 -0.03 -0.04 2.03 2.29 2pm9A1 PRO 407 HG3 0.15 0.03 -0.01 -0.04 2.03 2.16 2pm9A1 PRO 407 HD2 0.20 0.41 0.32 -0.04 3.68 4.57 2pm9A1 PRO 407 HD3 0.04 0.07 -0.04 -0.04 3.65 3.68 2pm9A1 LYS 408 H 0.05 0.15 0.11 -0.55 8.42 8.17 2pm9A1 LYS 408 HA 0.03 0.12 0.71 -0.75 4.32 4.43 2pm9A1 LYS 408 HB2 0.02 -0.05 0.06 -0.04 1.87 1.86 2pm9A1 LYS 408 HB3 0.02 0.05 0.09 -0.04 1.79 1.91 2pm9A1 LYS 408 HG2 0.03 -0.03 0.18 -0.04 1.46 1.60 2pm9A1 LYS 408 HG3 0.03 0.02 0.16 -0.04 1.46 1.64 2pm9A1 LYS 408 HD2 0.02 -0.01 0.03 -0.04 1.69 1.68 2pm9A1 LYS 408 HD3 0.02 0.02 0.05 -0.04 1.68 1.72 2pm9A1 LYS 408 HE2 0.02 0.01 0.04 -0.04 2.99 3.01 2pm9A1 LYS 408 HE3 0.02 0.01 0.03 -0.04 2.99 3.00 2pm9A1 ILE 409 H 0.03 0.25 0.13 -0.55 8.25 8.11 2pm9A1 ILE 409 HA 0.05 0.05 0.30 -0.75 4.18 3.83 2pm9A1 ILE 409 HB -0.01 -0.01 0.06 -0.04 1.89 1.88 2pm9A1 ILE 409 HG12 -0.09 -0.03 0.02 -0.04 1.49 1.36 2pm9A1 ILE 409 HG13 0.01 -0.01 -0.02 -0.04 1.21 1.16 2pm9A1 ILE 409 HG23 -0.04 0.03 -0.01 -0.04 0.93 0.87 2pm9A1 ILE 409 HD13 0.03 0.02 0.07 -0.04 0.88 0.95 2pm9A1 SER 410 H 0.01 -0.08 -0.49 -0.55 8.46 7.36 2pm9A1 SER 410 HA 0.01 0.01 0.10 -0.75 4.49 3.85 2pm9A1 SER 410 HB2 0.01 -0.03 0.04 -0.04 3.95 3.92 2pm9A1 SER 410 HB3 0.02 0.03 -0.15 -0.04 3.93 3.79