============================================================================= 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. TYR 5 0.840 -14.341 13.753 -0.578 -99.200 -91.000 TYR 10 0.840 -5.713 5.278 -8.407 -99.200 -91.000 PHE 24 1.000 -2.756 13.439 -5.911 -99.200 -91.000 PHE 29 1.000 -6.357 14.975 4.938 -99.200 -91.000 HIS 34 0.900 -4.484 25.077 8.530 -99.200 -91.000 PHE 38 1.000 -10.050 20.309 15.724 -99.200 -91.000 TYR 49 0.840 5.264 23.834 17.396 -99.200 -91.000 TRP 53 1.040 2.502 16.279 6.825 -99.200 -91.000 TRP6 53 1.020 0.432 15.100 6.546 -99.200 -91.000 PHE 65 1.000 -2.433 -0.417 -0.882 -99.200 -91.000 TRP 84 1.040 -13.749 6.501 16.467 -99.200 -91.000 TRP6 84 1.020 -14.577 7.021 14.284 -99.200 -91.000 HIS 100 0.900 -8.593 -6.753 -1.093 -99.200 -91.000 TYR 105 0.840 -8.841 -7.445 -5.041 -99.200 -91.000 PHE 109 1.000 3.885 2.061 -1.334 -99.200 -91.000 TYR 113 0.840 4.964 5.494 -5.451 -99.200 -91.000 PHE 117 1.000 -0.501 4.040 -2.695 -99.200 -91.000 HIS 118 0.900 -8.497 3.638 -6.260 -99.200 -91.000 PHE 119 1.000 -6.988 3.343 0.725 -99.200 -91.000 TRP 122 1.040 -23.289 4.275 2.844 -99.200 -91.000 TRP6 122 1.020 -24.442 4.283 0.776 -99.200 -91.000 PHE 124 1.000 -19.811 13.367 1.538 -99.200 -91.000 TRP 127 1.040 -21.238 1.805 -2.059 -99.200 -91.000 TRP6 127 1.020 -19.794 1.064 -0.331 -99.200 -91.000 PHE 145 1.000 -1.682 10.792 13.503 -99.200 -91.000 HIS 147 0.900 2.013 1.425 14.420 -99.200 -91.000 PHE 154 1.000 4.680 2.042 4.598 -99.200 -91.000 TRP 155 1.040 -3.323 -3.147 4.359 -99.200 -91.000 TRP6 155 1.020 -5.473 -2.952 5.364 -99.200 -91.000 TYR 163 0.840 -13.567 6.987 8.487 -99.200 -91.000 TYR 170 0.840 -4.046 11.444 9.822 -99.200 -91.000 PHE 182 1.000 -18.605 -2.284 13.111 -99.200 -91.000 PHE 185 1.000 -14.187 1.326 7.030 -99.200 -91.000 TRP 192 1.040 -27.573 0.181 20.850 -99.200 -91.000 TRP6 192 1.020 -27.390 0.017 23.200 -99.200 -91.000 TYR 193 0.840 -27.848 -7.448 19.672 -99.200 -91.000 TYR 203 0.840 -21.387 -18.352 21.515 -99.200 -91.000 PHE 233 1.000 -8.938 -3.310 40.430 -99.200 -91.000 HIS 240 0.900 -9.283 0.835 23.057 -99.200 -91.000 TYR 242 0.840 -11.058 -4.335 23.952 -99.200 -91.000 TYR 252 0.840 -12.581 -25.795 31.766 -99.200 -91.000 TRP 266 1.040 -4.726 0.739 22.332 -99.200 -91.000 TRP6 266 1.020 -4.643 0.711 24.711 -99.200 -91.000 TRP 271 1.040 -10.011 -12.236 29.652 -99.200 -91.000 TRP6 271 1.020 -11.268 -11.355 31.432 -99.200 -91.000 TRP 275 1.040 -12.133 -19.843 28.888 -99.200 -91.000 TRP6 275 1.020 -11.556 -22.024 28.154 -99.200 -91.000 TYR 280 0.840 -2.597 -22.278 36.029 -99.200 -91.000 TRP 282 1.040 -6.424 -21.207 26.437 -99.200 -91.000 TRP6 282 1.020 -7.873 -21.612 24.581 -99.200 -91.000 TYR 288 0.840 -7.569 -30.384 15.352 -99.200 -91.000 PHE 302 1.000 -8.888 -9.916 24.855 -99.200 -91.000 TRP 303 1.040 -9.618 -17.579 21.646 -99.200 -91.000 TRP6 303 1.020 -11.471 -18.037 20.248 -99.200 -91.000 PHE 306 1.000 -22.295 -14.579 24.776 -99.200 -91.000 PHE 309 1.000 -18.734 -10.067 24.647 -99.200 -91.000 PHE 313 1.000 -15.328 -6.294 26.312 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2r9cA1 ASN 33 HA 0.04 -0.11 0.20 -0.75 4.76 4.14 2r9cA1 ASN 33 HB2 0.05 -0.04 0.03 -0.04 2.88 2.88 2r9cA1 ASN 33 HB3 0.06 0.08 -0.11 -0.04 2.79 2.78 2r9cA1 ASN 33 HD21 0.02 -0.02 0.02 -0.04 7.03 7.01 2r9cA1 ASN 33 HD22 0.02 0.01 0.04 -0.04 7.74 7.77 2r9cA1 ALA 34 H 0.09 0.03 0.03 -0.55 8.40 8.00 2r9cA1 ALA 34 HA 0.24 0.14 0.38 -0.75 4.34 4.34 2r9cA1 ALA 34 HB3 0.19 -0.03 -0.17 -0.04 1.41 1.36 2r9cA1 ILE 35 H 0.18 0.45 0.37 -0.55 8.25 8.71 2r9cA1 ILE 35 HA 0.10 0.15 0.83 -0.75 4.18 4.51 2r9cA1 ILE 35 HB 0.08 -0.06 0.10 -0.04 1.89 1.96 2r9cA1 ILE 35 HG12 0.14 0.15 0.14 -0.04 1.49 1.88 2r9cA1 ILE 35 HG13 0.13 -0.08 -0.17 -0.04 1.21 1.05 2r9cA1 ILE 35 HG23 0.09 0.03 0.04 -0.04 0.93 1.05 2r9cA1 ILE 35 HD13 0.06 -0.00 -0.03 -0.04 0.88 0.88 2r9cA1 LYS 36 H 0.08 0.13 0.13 -0.55 8.42 8.21 2r9cA1 LYS 36 HA 0.14 0.12 0.43 -0.75 4.32 4.26 2r9cA1 LYS 36 HB2 0.05 -0.11 0.04 -0.04 1.87 1.82 2r9cA1 LYS 36 HB3 0.07 0.33 -0.19 -0.04 1.79 1.96 2r9cA1 LYS 36 HG2 0.07 -0.02 -0.03 -0.04 1.46 1.44 2r9cA1 LYS 36 HG3 0.07 -0.01 0.02 -0.04 1.46 1.50 2r9cA1 LYS 36 HD2 0.03 0.01 -0.07 -0.04 1.69 1.61 2r9cA1 LYS 36 HD3 0.03 0.03 -0.40 -0.04 1.68 1.29 2r9cA1 LYS 36 HE2 0.01 -0.02 -0.03 -0.04 2.99 2.91 2r9cA1 LYS 36 HE3 0.02 -0.13 -0.02 -0.04 2.99 2.82 2r9cA1 TYR 37 H 0.28 0.60 0.37 -0.55 8.29 8.99 2r9cA1 TYR 37 HA 0.08 -0.01 0.63 -0.75 4.56 4.50 2r9cA1 TYR 37 HB2 0.13 0.01 0.04 -0.04 3.06 3.20 2r9cA1 TYR 37 HB3 0.11 0.05 0.23 -0.04 2.98 3.32 2r9cA1 TYR 37 HD2 0.14 -0.04 0.01 -0.04 7.15 7.22 2r9cA1 TYR 37 HE2 0.10 0.03 -0.06 -0.04 6.85 6.87 2r9cA1 LEU 38 H -0.19 0.17 0.23 -0.55 8.37 8.03 2r9cA1 LEU 38 HA -0.24 0.04 0.36 -0.75 4.35 3.76 2r9cA1 LEU 38 HB2 -0.25 0.09 0.06 -0.04 1.64 1.50 2r9cA1 LEU 38 HB3 -0.21 -0.00 0.18 -0.04 1.64 1.57 2r9cA1 LEU 38 HG -1.84 -0.08 -0.25 -0.04 1.64 -0.57 2r9cA1 LEU 38 HD13 -0.27 0.02 -0.04 -0.04 0.93 0.60 2r9cA1 LEU 38 HD23 -0.36 0.01 0.04 -0.04 0.89 0.54 2r9cA1 GLY 39 H -0.02 0.48 -0.48 -0.55 8.43 7.86 2r9cA1 GLY 39 HA2 0.01 0.00 0.22 -0.51 4.01 3.73 2r9cA1 GLY 39 HA3 -0.02 0.05 0.45 -0.51 4.01 3.98 2r9cA1 GLN 40 H 0.01 0.45 -0.47 -0.55 8.47 7.91 2r9cA1 GLN 40 HA 0.03 0.04 0.51 -0.75 4.36 4.18 2r9cA1 GLN 40 HB2 0.10 0.10 0.09 -0.04 2.15 2.40 2r9cA1 GLN 40 HB3 0.09 -0.09 -0.09 -0.04 2.02 1.89 2r9cA1 GLN 40 HG2 0.08 -0.03 -0.05 -0.04 2.40 2.37 2r9cA1 GLN 40 HG3 0.01 0.12 -0.06 -0.04 2.39 2.43 2r9cA1 GLN 40 HE21 0.27 -0.11 -0.08 -0.04 6.97 7.01 2r9cA1 GLN 40 HE22 0.24 0.01 -0.04 -0.04 7.69 7.85 2r9cA1 ASP 41 H -0.02 0.17 0.09 -0.55 8.40 8.10 2r9cA1 ASP 41 HA 0.01 0.15 0.59 -0.75 4.63 4.62 2r9cA1 ASP 41 HB2 -0.01 0.20 -0.00 -0.04 2.71 2.85 2r9cA1 ASP 41 HB3 -0.05 -0.03 0.19 -0.04 2.70 2.77 2r9cA1 TYR 42 H 0.06 0.30 0.06 -0.55 8.29 8.15 2r9cA1 TYR 42 HA -0.25 0.06 0.22 -0.75 4.56 3.84 2r9cA1 TYR 42 HB2 -0.24 0.08 -0.04 -0.04 3.06 2.81 2r9cA1 TYR 42 HB3 -0.36 -0.01 0.07 -0.04 2.98 2.63 2r9cA1 TYR 42 HD2 -0.38 -0.02 -0.18 -0.04 7.15 6.54 2r9cA1 TYR 42 HE2 -0.26 0.10 -0.24 -0.04 6.85 6.41 2r9cA1 GLU 43 H -0.12 0.13 -0.11 -0.55 8.60 7.96 2r9cA1 GLU 43 HA -0.62 0.11 0.25 -0.75 4.29 3.28 2r9cA1 GLU 43 HB2 -0.10 0.00 0.06 -0.04 2.09 2.01 2r9cA1 GLU 43 HB3 -0.10 0.00 0.06 -0.04 1.99 1.90 2r9cA1 GLU 43 HG2 -0.08 0.04 -0.02 -0.04 2.34 2.24 2r9cA1 GLU 43 HG3 -0.12 0.00 -0.16 -0.04 2.34 2.01 2r9cA1 ASN 44 H -0.15 0.06 -0.26 -0.55 8.53 7.64 2r9cA1 ASN 44 HA -0.13 0.08 0.43 -0.75 4.76 4.39 2r9cA1 ASN 44 HB2 -0.07 -0.01 0.07 -0.04 2.88 2.82 2r9cA1 ASN 44 HB3 -0.09 0.05 0.09 -0.04 2.79 2.81 2r9cA1 ASN 44 HD21 -0.05 0.03 -0.00 -0.04 7.03 6.97 2r9cA1 ASN 44 HD22 -0.06 -0.02 0.03 -0.04 7.74 7.65 2r9cA1 LEU 45 H -0.23 0.64 -0.08 -0.55 8.37 8.16 2r9cA1 LEU 45 HA -0.14 0.03 0.39 -0.75 4.35 3.87 2r9cA1 LEU 45 HB2 -0.46 0.09 0.04 -0.04 1.64 1.28 2r9cA1 LEU 45 HB3 -0.57 -0.03 -0.06 -0.04 1.64 0.95 2r9cA1 LEU 45 HG -0.13 0.02 0.05 -0.04 1.64 1.55 2r9cA1 LEU 45 HD13 -0.18 -0.02 -0.18 -0.04 0.93 0.51 2r9cA1 LEU 45 HD23 0.05 0.00 -0.01 -0.04 0.89 0.89 2r9cA1 ARG 46 H -0.48 0.61 -0.10 -0.55 8.46 7.94 2r9cA1 ARG 46 HA -0.34 -0.00 0.37 -0.75 4.34 3.62 2r9cA1 ARG 46 HB2 -0.84 0.03 0.07 -0.04 1.90 1.11 2r9cA1 ARG 46 HB3 -0.54 0.05 0.14 -0.04 1.80 1.41 2r9cA1 ARG 46 HG2 -0.28 0.03 -0.06 -0.04 1.67 1.33 2r9cA1 ARG 46 HG3 -0.38 -0.13 0.06 -0.04 1.67 1.18 2r9cA1 ARG 46 HD2 -0.21 0.12 0.02 -0.04 3.22 3.11 2r9cA1 ARG 46 HD3 -0.50 -0.05 -0.03 -0.04 3.22 2.60 2r9cA1 ALA 47 H -0.25 0.61 -0.09 -0.55 8.40 8.13 2r9cA1 ALA 47 HA -0.13 0.02 0.37 -0.75 4.34 3.84 2r9cA1 ALA 47 HB3 -0.12 -0.00 0.12 -0.04 1.41 1.37 2r9cA1 ARG 48 H -0.12 0.54 -0.20 -0.55 8.46 8.13 2r9cA1 ARG 48 HA -0.05 0.02 0.45 -0.75 4.34 4.01 2r9cA1 ARG 48 HB2 -0.06 0.06 0.14 -0.04 1.90 1.99 2r9cA1 ARG 48 HB3 -0.03 -0.04 0.03 -0.04 1.80 1.71 2r9cA1 ARG 48 HG2 -0.04 -0.04 0.01 -0.04 1.67 1.55 2r9cA1 ARG 48 HG3 -0.07 0.08 0.07 -0.04 1.67 1.70 2r9cA1 ARG 48 HD2 -0.04 -0.05 -0.02 -0.04 3.22 3.07 2r9cA1 ARG 48 HD3 -0.05 -0.01 -0.11 -0.04 3.22 3.00 2r9cA1 CYS 49 H -0.09 0.69 -0.02 -0.55 8.50 8.54 2r9cA1 CYS 49 HA -0.01 -0.04 0.45 -0.75 4.58 4.22 2r9cA1 CYS 49 HB2 -0.10 0.06 0.21 -0.04 2.97 3.09 2r9cA1 CYS 49 HB3 -0.03 0.25 0.04 -0.04 2.97 3.19 2r9cA1 LEU 50 H -0.09 0.54 -0.17 -0.55 8.37 8.10 2r9cA1 LEU 50 HA -0.05 0.05 0.37 -0.75 4.35 3.97 2r9cA1 LEU 50 HB2 -0.08 0.10 0.16 -0.04 1.64 1.79 2r9cA1 LEU 50 HB3 -0.04 -0.07 -0.04 -0.04 1.64 1.45 2r9cA1 LEU 50 HG -0.11 0.06 -0.06 -0.04 1.64 1.49 2r9cA1 LEU 50 HD13 -0.08 -0.02 -0.04 -0.04 0.93 0.75 2r9cA1 LEU 50 HD23 -0.03 -0.00 -0.10 -0.04 0.89 0.72 2r9cA1 GLN 51 H -0.05 0.51 -0.08 -0.55 8.47 8.30 2r9cA1 GLN 51 HA -0.02 0.00 0.52 -0.75 4.36 4.10 2r9cA1 GLN 51 HB2 -0.04 0.03 0.16 -0.04 2.15 2.26 2r9cA1 GLN 51 HB3 -0.03 0.09 0.16 -0.04 2.02 2.20 2r9cA1 GLN 51 HG2 -0.02 0.01 -0.11 -0.04 2.40 2.24 2r9cA1 GLN 51 HG3 -0.02 -0.05 0.07 -0.04 2.39 2.35 2r9cA1 GLN 51 HE21 -0.02 -0.04 -0.01 -0.04 6.97 6.87 2r9cA1 GLN 51 HE22 -0.02 -0.01 0.00 -0.04 7.69 7.63 2r9cA1 ASN 52 H -0.02 0.52 -0.21 -0.55 8.53 8.27 2r9cA1 ASN 52 HA -0.01 0.05 0.48 -0.75 4.76 4.53 2r9cA1 ASN 52 HB2 -0.01 0.08 0.10 -0.04 2.88 3.01 2r9cA1 ASN 52 HB3 -0.00 -0.07 0.10 -0.04 2.79 2.77 2r9cA1 ASN 52 HD21 -0.01 -0.08 -0.03 -0.04 7.03 6.87 2r9cA1 ASN 52 HD22 -0.00 -0.03 -0.08 -0.04 7.74 7.58 2r9cA1 GLY 53 H -0.01 0.28 -0.52 -0.55 8.43 7.63 2r9cA1 GLY 53 HA2 0.00 0.04 0.30 -0.51 4.01 3.84 2r9cA1 GLY 53 HA3 0.00 -0.03 0.30 -0.51 4.01 3.77 2r9cA1 VAL 54 H -0.01 0.48 -0.04 -0.55 8.24 8.12 2r9cA1 VAL 54 HA 0.01 0.16 0.90 -0.75 4.13 4.45 2r9cA1 VAL 54 HB 0.01 -0.03 0.06 -0.04 2.12 2.13 2r9cA1 VAL 54 HG13 0.00 0.06 -0.18 -0.04 0.97 0.81 2r9cA1 VAL 54 HG23 0.01 -0.03 -0.19 -0.04 0.95 0.71 2r9cA1 LEU 55 H 0.02 0.12 0.10 -0.55 8.37 8.06 2r9cA1 LEU 55 HA -0.04 0.23 0.77 -0.75 4.35 4.55 2r9cA1 LEU 55 HB2 0.04 -0.02 0.01 -0.04 1.64 1.63 2r9cA1 LEU 55 HB3 0.02 -0.03 -0.08 -0.04 1.64 1.51 2r9cA1 LEU 55 HG 0.05 0.02 -0.13 -0.04 1.64 1.53 2r9cA1 LEU 55 HD13 0.17 -0.02 -0.08 -0.04 0.93 0.97 2r9cA1 LEU 55 HD23 -0.12 0.01 -0.25 -0.04 0.89 0.49 2r9cA1 PHE 56 H 0.11 0.63 0.26 -0.55 8.34 8.78 2r9cA1 PHE 56 HA -0.03 0.01 0.26 -0.75 4.62 4.11 2r9cA1 PHE 56 HB2 -0.08 0.06 -0.02 -0.04 3.15 3.07 2r9cA1 PHE 56 HB3 -0.02 0.10 -0.12 -0.04 3.06 2.98 2r9cA1 PHE 56 HD2 0.04 0.07 -0.12 -0.04 7.28 7.23 2r9cA1 PHE 56 HE2 0.07 -0.03 -0.24 -0.04 7.38 7.15 2r9cA1 PHE 56 HZ 0.07 -0.04 -0.15 -0.04 7.32 7.15 2r9cA1 GLN 57 H -0.40 0.25 0.18 -0.55 8.47 7.95 2r9cA1 GLN 57 HA -0.31 0.09 0.73 -0.75 4.36 4.12 2r9cA1 GLN 57 HB2 -0.19 -0.01 0.11 -0.04 2.15 2.03 2r9cA1 GLN 57 HB3 -0.21 -0.01 -0.03 -0.04 2.02 1.73 2r9cA1 GLN 57 HG2 -0.09 -0.00 0.02 -0.04 2.40 2.29 2r9cA1 GLN 57 HG3 -0.08 0.15 -0.26 -0.04 2.39 2.16 2r9cA1 GLN 57 HE21 -0.04 -0.01 -0.01 -0.04 6.97 6.86 2r9cA1 GLN 57 HE22 -0.04 0.06 -0.02 -0.04 7.69 7.65 2r9cA1 ASP 58 H -0.36 0.20 0.04 -0.55 8.40 7.73 2r9cA1 ASP 58 HA -0.59 0.08 0.31 -0.75 4.63 3.68 2r9cA1 ASP 58 HB2 -0.08 -0.08 -0.03 -0.04 2.71 2.48 2r9cA1 ASP 58 HB3 -0.01 0.24 0.09 -0.04 2.70 2.98 2r9cA1 ASP 59 H -0.11 0.25 0.20 -0.55 8.40 8.19 2r9cA1 ASP 59 HA -0.07 0.08 0.38 -0.75 4.63 4.26 2r9cA1 ASP 59 HB2 0.01 -0.03 0.07 -0.04 2.71 2.72 2r9cA1 ASP 59 HB3 -0.01 0.04 0.01 -0.04 2.70 2.70 2r9cA1 ALA 60 H 0.07 -0.02 -0.46 -0.55 8.40 7.44 2r9cA1 ALA 60 HA 0.07 0.15 0.53 -0.75 4.34 4.33 2r9cA1 ALA 60 HB3 0.08 0.00 -0.01 -0.04 1.41 1.44 2r9cA1 PHE 61 H 0.12 0.28 -0.55 -0.55 8.34 7.63 2r9cA1 PHE 61 HA 0.04 0.14 0.42 -0.75 4.62 4.47 2r9cA1 PHE 61 HB2 0.12 0.07 -0.18 -0.04 3.15 3.12 2r9cA1 PHE 61 HB3 0.10 -0.12 0.14 -0.04 3.06 3.14 2r9cA1 PHE 61 HD2 0.13 0.03 0.07 -0.04 7.28 7.47 2r9cA1 PHE 61 HE2 0.10 0.09 -0.18 -0.04 7.38 7.35 2r9cA1 PHE 61 HZ -0.04 -0.08 -0.15 -0.04 7.32 7.00 2r9cA1 PRO 62 HA -0.27 0.09 0.48 -0.51 4.44 4.23 2r9cA1 PRO 62 HB2 -0.25 -0.02 -0.09 -0.04 2.28 1.88 2r9cA1 PRO 62 HB3 -0.16 0.04 -0.01 -0.04 2.02 1.85 2r9cA1 PRO 62 HG2 -0.13 -0.09 -0.05 -0.04 2.03 1.72 2r9cA1 PRO 62 HG3 -0.07 0.10 0.00 -0.04 2.03 2.02 2r9cA1 PRO 62 HD2 -0.07 0.08 -0.00 -0.04 3.68 3.65 2r9cA1 PRO 62 HD3 0.01 0.23 -0.23 -0.04 3.65 3.61 2r9cA1 PRO 63 HA -2.69 0.14 0.43 -0.51 4.44 1.81 2r9cA1 PRO 63 HB2 -0.68 0.01 0.15 -0.04 2.28 1.72 2r9cA1 PRO 63 HB3 -0.55 0.01 0.04 -0.04 2.02 1.48 2r9cA1 PRO 63 HG2 -0.33 0.04 0.07 -0.04 2.03 1.78 2r9cA1 PRO 63 HG3 -0.24 0.02 0.07 -0.04 2.03 1.84 2r9cA1 PRO 63 HD2 -0.31 0.10 0.07 -0.04 3.68 3.50 2r9cA1 PRO 63 HD3 -0.32 0.05 0.16 -0.04 3.65 3.49 2r9cA1 VAL 64 H -0.75 0.61 0.08 -0.55 8.24 7.63 2r9cA1 VAL 64 HA -0.14 0.23 0.72 -0.75 4.13 4.19 2r9cA1 VAL 64 HB -0.16 -0.14 0.11 -0.04 2.12 1.89 2r9cA1 VAL 64 HG13 -0.19 0.02 -0.23 -0.04 0.97 0.52 2r9cA1 VAL 64 HG23 -0.18 -0.03 -0.22 -0.04 0.95 0.48 2r9cA1 SER 65 H -0.03 0.20 0.14 -0.55 8.46 8.23 2r9cA1 SER 65 HA 0.25 0.08 0.10 -0.75 4.49 4.17 2r9cA1 SER 65 HB2 0.07 0.05 -0.09 -0.04 3.95 3.94 2r9cA1 SER 65 HB3 0.07 0.09 0.06 -0.04 3.93 4.11 2r9cA1 HIS 66 H -0.10 0.05 -0.16 -0.55 8.41 7.65 2r9cA1 HIS 66 HA 0.12 0.26 0.60 -0.75 4.63 4.86 2r9cA1 HIS 66 HB2 0.03 -0.00 0.03 -0.04 3.26 3.28 2r9cA1 HIS 66 HB3 0.08 0.08 0.10 -0.04 3.20 3.41 2r9cA1 HIS 66 HD2 0.08 0.06 0.00 -0.04 6.97 7.07 2r9cA1 HIS 66 HE1 0.03 0.01 0.02 -0.04 7.75 7.76 2r9cA1 SER 67 H 0.07 0.34 -0.25 -0.55 8.46 8.08 2r9cA1 SER 67 HA 0.02 0.23 0.67 -0.75 4.49 4.66 2r9cA1 SER 67 HB2 -0.16 0.06 0.11 -0.04 3.95 3.93 2r9cA1 SER 67 HB3 -1.14 -0.06 0.01 -0.04 3.93 2.70 2r9cA1 LEU 68 H 0.33 0.28 -0.16 -0.55 8.37 8.28 2r9cA1 LEU 68 HA 0.45 -0.02 0.61 -0.75 4.35 4.65 2r9cA1 LEU 68 HB2 0.19 0.30 0.20 -0.04 1.64 2.30 2r9cA1 LEU 68 HB3 0.17 -0.14 0.02 -0.04 1.64 1.65 2r9cA1 LEU 68 HG 0.50 0.05 -0.05 -0.04 1.64 2.10 2r9cA1 LEU 68 HD13 0.05 -0.01 -0.06 -0.04 0.93 0.87 2r9cA1 LEU 68 HD23 -0.12 -0.02 -0.07 -0.04 0.89 0.64 2r9cA1 GLY 69 H 0.23 0.70 0.13 -0.55 8.43 8.94 2r9cA1 GLY 69 HA2 0.28 0.02 0.29 -0.51 4.01 4.08 2r9cA1 GLY 69 HA3 0.02 -0.24 0.29 -0.51 4.01 3.57 2r9cA1 PHE 70 H -0.49 -0.27 0.01 -0.55 8.34 7.05 2r9cA1 PHE 70 HA 0.07 0.25 0.84 -0.75 4.62 5.02 2r9cA1 PHE 70 HB2 0.02 0.05 0.01 -0.04 3.15 3.19 2r9cA1 PHE 70 HB3 0.04 0.16 -0.18 -0.04 3.06 3.03 2r9cA1 PHE 70 HD2 0.05 0.04 -0.19 -0.04 7.28 7.13 2r9cA1 PHE 70 HE2 0.05 0.02 -0.13 -0.04 7.38 7.28 2r9cA1 PHE 70 HZ 0.04 0.11 -0.07 -0.04 7.32 7.35 2r9cA1 LYS 71 H -0.58 -0.24 0.01 -0.55 8.42 7.05 2r9cA1 LYS 71 HA -0.03 0.31 0.84 -0.75 4.32 4.69 2r9cA1 LYS 71 HB2 0.07 0.14 -0.07 -0.04 1.87 1.96 2r9cA1 LYS 71 HB3 -0.31 -0.15 0.18 -0.04 1.79 1.47 2r9cA1 LYS 71 HG2 -0.05 -0.03 -0.11 -0.04 1.46 1.23 2r9cA1 LYS 71 HG3 0.01 0.07 0.02 -0.04 1.46 1.53 2r9cA1 LYS 71 HD2 0.10 0.06 -0.00 -0.04 1.69 1.80 2r9cA1 LYS 71 HD3 0.03 -0.02 0.02 -0.04 1.68 1.67 2r9cA1 LYS 71 HE2 0.04 0.04 -0.00 -0.04 2.99 3.02 2r9cA1 LYS 71 HE3 0.01 -0.03 -0.02 -0.04 2.99 2.91 2r9cA1 GLU 72 H -0.26 0.19 0.16 -0.55 8.60 8.14 2r9cA1 GLU 72 HA -0.08 0.00 0.50 -0.75 4.29 3.96 2r9cA1 GLU 72 HB2 -0.13 -0.03 0.11 -0.04 2.09 2.01 2r9cA1 GLU 72 HB3 -0.06 0.00 0.06 -0.04 1.99 1.95 2r9cA1 GLU 72 HG2 -0.05 0.00 0.06 -0.04 2.34 2.31 2r9cA1 GLU 72 HG3 -0.10 0.00 0.11 -0.04 2.34 2.31 2r9cA1 LEU 73 H -0.20 -0.12 -0.22 -0.55 8.37 7.28 2r9cA1 LEU 73 HA -0.05 0.20 0.67 -0.75 4.35 4.42 2r9cA1 LEU 73 HB2 -0.02 -0.09 -0.14 -0.04 1.64 1.35 2r9cA1 LEU 73 HB3 0.06 0.07 -0.11 -0.04 1.64 1.62 2r9cA1 LEU 73 HG 0.01 -0.09 -0.31 -0.04 1.64 1.21 2r9cA1 LEU 73 HD13 0.11 0.03 -0.05 -0.04 0.93 0.97 2r9cA1 LEU 73 HD23 0.07 0.02 -0.11 -0.04 0.89 0.83 2r9cA1 GLY 74 H -0.08 0.29 -0.61 -0.55 8.43 7.49 2r9cA1 GLY 74 HA2 0.08 0.32 0.10 -0.51 4.01 4.00 2r9cA1 GLY 74 HA3 0.02 0.13 -0.10 -0.51 4.01 3.54 2r9cA1 PRO 75 HA -0.00 0.07 0.23 -0.51 4.44 4.22 2r9cA1 PRO 75 HB2 0.05 0.06 -0.03 -0.04 2.28 2.32 2r9cA1 PRO 75 HB3 0.04 0.00 0.10 -0.04 2.02 2.13 2r9cA1 PRO 75 HG2 0.08 0.01 0.05 -0.04 2.03 2.13 2r9cA1 PRO 75 HG3 0.17 0.07 0.07 -0.04 2.03 2.31 2r9cA1 PRO 75 HD2 0.11 0.12 0.14 -0.04 3.68 4.01 2r9cA1 PRO 75 HD3 0.22 0.20 0.15 -0.04 3.65 4.18 2r9cA1 ASN 76 H -0.04 0.06 -0.42 -0.55 8.53 7.58 2r9cA1 ASN 76 HA -0.19 0.31 0.91 -0.75 4.76 5.03 2r9cA1 ASN 76 HB2 0.02 -0.02 0.04 -0.04 2.88 2.88 2r9cA1 ASN 76 HB3 0.10 0.02 0.14 -0.04 2.79 3.00 2r9cA1 ASN 76 HD21 0.11 -0.00 -0.11 -0.04 7.03 6.99 2r9cA1 ASN 76 HD22 0.23 0.07 -0.08 -0.04 7.74 7.92 2r9cA1 SER 77 H -0.37 0.42 -0.30 -0.55 8.46 7.65 2r9cA1 SER 77 HA -0.13 0.16 0.60 -0.75 4.49 4.36 2r9cA1 SER 77 HB2 -0.10 0.03 0.07 -0.04 3.95 3.91 2r9cA1 SER 77 HB3 -0.11 0.01 -0.11 -0.04 3.93 3.68 2r9cA1 SER 78 H -0.05 0.16 0.17 -0.55 8.46 8.20 2r9cA1 SER 78 HA 0.13 0.12 0.42 -0.75 4.49 4.40 2r9cA1 SER 78 HB2 -0.01 -0.05 0.14 -0.04 3.95 3.99 2r9cA1 SER 78 HB3 0.02 0.00 0.02 -0.04 3.93 3.93 2r9cA1 LYS 79 H -0.07 0.09 -0.12 -0.55 8.42 7.76 2r9cA1 LYS 79 HA -0.05 0.11 0.43 -0.75 4.32 4.05 2r9cA1 LYS 79 HB2 -0.05 0.11 0.15 -0.04 1.87 2.03 2r9cA1 LYS 79 HB3 -0.05 0.03 0.01 -0.04 1.79 1.74 2r9cA1 LYS 79 HG2 -0.04 0.03 0.01 -0.04 1.46 1.42 2r9cA1 LYS 79 HG3 -0.04 -0.10 0.07 -0.04 1.46 1.35 2r9cA1 LYS 79 HD2 -0.03 0.02 0.04 -0.04 1.69 1.68 2r9cA1 LYS 79 HD3 -0.01 0.02 -0.03 -0.04 1.68 1.61 2r9cA1 LYS 79 HE2 -0.01 -0.03 -0.03 -0.04 2.99 2.88 2r9cA1 LYS 79 HE3 -0.03 0.04 -0.02 -0.04 2.99 2.94 2r9cA1 THR 80 H -0.14 0.03 -0.27 -0.55 8.28 7.35 2r9cA1 THR 80 HA -0.06 0.03 0.34 -0.75 4.39 3.94 2r9cA1 THR 80 HB -0.27 0.05 -0.02 -0.04 4.32 4.05 2r9cA1 THR 80 HG23 -0.01 -0.02 -0.19 -0.04 1.22 0.97 2r9cA1 TYR 81 H -0.25 0.42 -0.18 -0.55 8.29 7.73 2r9cA1 TYR 81 HA -0.00 0.04 0.33 -0.75 4.56 4.17 2r9cA1 TYR 81 HB2 -0.02 0.07 0.04 -0.04 3.06 3.11 2r9cA1 TYR 81 HB3 -0.01 -0.04 -0.01 -0.04 2.98 2.88 2r9cA1 TYR 81 HD2 0.00 -0.04 -0.07 -0.04 7.15 7.00 2r9cA1 TYR 81 HE2 0.01 -0.00 -0.08 -0.04 6.85 6.73 2r9cA1 GLY 82 H 0.03 0.30 -0.43 -0.55 8.43 7.77 2r9cA1 GLY 82 HA2 0.01 0.03 0.55 -0.51 4.01 4.09 2r9cA1 GLY 82 HA3 -0.03 -0.05 0.30 -0.51 4.01 3.73 2r9cA1 ILE 83 H -0.04 0.51 -0.19 -0.55 8.25 7.99 2r9cA1 ILE 83 HA -0.17 0.25 0.43 -0.75 4.18 3.93 2r9cA1 ILE 83 HB -0.14 0.12 0.14 -0.04 1.89 1.97 2r9cA1 ILE 83 HG12 -0.35 -0.05 -0.15 -0.04 1.49 0.91 2r9cA1 ILE 83 HG13 -0.18 0.03 -0.08 -0.04 1.21 0.93 2r9cA1 ILE 83 HG23 -0.50 -0.06 -0.19 -0.04 0.93 0.14 2r9cA1 ILE 83 HD13 -0.24 -0.05 -0.12 -0.04 0.88 0.44 2r9cA1 LYS 84 H -0.15 0.67 0.41 -0.55 8.42 8.79 2r9cA1 LYS 84 HA 0.06 0.14 0.84 -0.75 4.32 4.60 2r9cA1 LYS 84 HB2 -0.02 -0.08 0.06 -0.04 1.87 1.78 2r9cA1 LYS 84 HB3 0.04 0.03 -0.01 -0.04 1.79 1.82 2r9cA1 LYS 84 HG2 0.03 0.05 -0.03 -0.04 1.46 1.48 2r9cA1 LYS 84 HG3 -0.01 0.09 -0.30 -0.04 1.46 1.20 2r9cA1 LYS 84 HD2 -0.01 -0.09 -0.03 -0.04 1.69 1.52 2r9cA1 LYS 84 HD3 0.02 -0.00 -0.03 -0.04 1.68 1.63 2r9cA1 LYS 84 HE2 0.01 0.02 -0.02 -0.04 2.99 2.96 2r9cA1 LYS 84 HE3 -0.00 0.04 -0.03 -0.04 2.99 2.95 2r9cA1 TRP 85 H 0.38 0.17 0.06 -0.55 7.97 8.04 2r9cA1 TRP 85 HA 0.02 0.26 0.62 -0.75 4.62 4.76 2r9cA1 TRP 85 HB2 0.01 0.03 0.08 -0.04 3.23 3.32 2r9cA1 TRP 85 HB3 0.04 -0.05 -0.17 -0.04 3.23 3.01 2r9cA1 TRP 85 HD1 -0.00 0.04 -0.12 -0.04 7.22 7.09 2r9cA1 TRP 85 HE1 -0.01 -0.06 -0.38 -0.04 10.20 9.72 2r9cA1 TRP 85 HE3 0.09 -0.03 -0.66 -0.04 7.59 6.95 2r9cA1 TRP 85 HZ2 0.02 0.00 -0.13 -0.04 7.44 7.30 2r9cA1 TRP 85 HZ3 0.22 0.15 -0.10 -0.04 7.13 7.36 2r9cA1 TRP 85 HH2 0.11 0.02 -0.15 -0.04 7.19 7.14 2r9cA1 LYS 86 H 0.15 0.61 0.28 -0.55 8.42 8.91 2r9cA1 LYS 86 HA 0.13 0.11 0.78 -0.75 4.32 4.58 2r9cA1 LYS 86 HB2 0.03 0.02 -0.09 -0.04 1.87 1.79 2r9cA1 LYS 86 HB3 0.04 0.03 -0.10 -0.04 1.79 1.73 2r9cA1 LYS 86 HG2 0.06 0.08 -0.14 -0.04 1.46 1.42 2r9cA1 LYS 86 HG3 0.04 -0.03 -0.65 -0.04 1.46 0.78 2r9cA1 LYS 86 HD2 0.00 -0.05 -0.16 -0.04 1.69 1.44 2r9cA1 LYS 86 HD3 0.02 0.06 -0.14 -0.04 1.68 1.58 2r9cA1 LYS 86 HE2 0.02 0.03 -0.09 -0.04 2.99 2.92 2r9cA1 LYS 86 HE3 0.01 -0.02 -0.15 -0.04 2.99 2.79 2r9cA1 ARG 87 H 0.11 0.14 0.11 -0.55 8.46 8.26 2r9cA1 ARG 87 HA 0.15 0.51 0.72 -0.75 4.34 4.97 2r9cA1 ARG 87 HB2 0.14 -0.05 0.02 -0.04 1.90 1.97 2r9cA1 ARG 87 HB3 0.25 -0.01 0.02 -0.04 1.80 2.03 2r9cA1 ARG 87 HG2 0.23 -0.01 -0.33 -0.04 1.67 1.51 2r9cA1 ARG 87 HG3 0.16 -0.01 -0.04 -0.04 1.67 1.74 2r9cA1 ARG 87 HD2 0.19 0.02 -0.05 -0.04 3.22 3.34 2r9cA1 ARG 87 HD3 0.27 -0.04 -0.05 -0.04 3.22 3.36 2r9cA1 PRO 88 HA -0.51 0.12 0.44 -0.51 4.44 3.98 2r9cA1 PRO 88 HB2 -1.21 0.01 -0.04 -0.04 2.28 1.00 2r9cA1 PRO 88 HB3 -2.52 0.05 0.04 -0.04 2.02 -0.46 2r9cA1 PRO 88 HG2 -0.26 -0.00 0.01 -0.04 2.03 1.73 2r9cA1 PRO 88 HG3 -0.83 0.09 0.04 -0.04 2.03 1.29 2r9cA1 PRO 88 HD2 0.21 -0.01 0.17 -0.04 3.68 4.02 2r9cA1 PRO 88 HD3 0.07 0.54 0.30 -0.04 3.65 4.53 2r9cA1 THR 89 H -0.06 0.06 -0.37 -0.55 8.28 7.36 2r9cA1 THR 89 HA -0.17 0.25 0.42 -0.75 4.39 4.14 2r9cA1 THR 89 HB 0.03 0.09 0.07 -0.04 4.32 4.46 2r9cA1 THR 89 HG23 -0.29 0.01 -0.00 -0.04 1.22 0.90 2r9cA1 GLU 90 H -0.02 0.32 -0.45 -0.55 8.60 7.90 2r9cA1 GLU 90 HA 0.02 0.16 0.72 -0.75 4.29 4.43 2r9cA1 GLU 90 HB2 0.03 0.05 0.10 -0.04 2.09 2.24 2r9cA1 GLU 90 HB3 0.03 0.02 -0.00 -0.04 1.99 1.99 2r9cA1 GLU 90 HG2 0.05 0.07 0.02 -0.04 2.34 2.43 2r9cA1 GLU 90 HG3 0.07 -0.06 -0.13 -0.04 2.34 2.18 2r9cA1 LEU 91 H -0.07 0.16 -0.16 -0.55 8.37 7.76 2r9cA1 LEU 91 HA -0.01 0.07 0.58 -0.75 4.35 4.24 2r9cA1 LEU 91 HB2 -0.05 0.04 0.13 -0.04 1.64 1.72 2r9cA1 LEU 91 HB3 0.03 0.02 -0.01 -0.04 1.64 1.65 2r9cA1 LEU 91 HG -0.02 0.09 -0.19 -0.04 1.64 1.48 2r9cA1 LEU 91 HD13 0.05 -0.00 -0.15 -0.04 0.93 0.78 2r9cA1 LEU 91 HD23 0.00 0.03 -0.13 -0.04 0.89 0.75 2r9cA1 LEU 92 H -0.07 0.49 0.05 -0.55 8.37 8.28 2r9cA1 LEU 92 HA -0.00 0.16 0.84 -0.75 4.35 4.59 2r9cA1 LEU 92 HB2 -0.04 0.07 -0.05 -0.04 1.64 1.58 2r9cA1 LEU 92 HB3 0.01 -0.19 -0.08 -0.04 1.64 1.34 2r9cA1 LEU 92 HG 0.09 -0.02 -0.20 -0.04 1.64 1.47 2r9cA1 LEU 92 HD13 0.21 0.03 -0.03 -0.04 0.93 1.10 2r9cA1 LEU 92 HD23 0.03 0.06 -0.09 -0.04 0.89 0.85 2r9cA1 SER 93 H -0.00 0.12 0.10 -0.55 8.46 8.13 2r9cA1 SER 93 HA -0.01 0.19 0.58 -0.75 4.49 4.49 2r9cA1 SER 93 HB2 0.01 0.00 0.08 -0.04 3.95 3.99 2r9cA1 SER 93 HB3 0.00 0.00 0.09 -0.04 3.93 3.98 2r9cA1 ASN 94 H -0.00 -0.00 -0.25 -0.55 8.53 7.72 2r9cA1 ASN 94 HA 0.00 0.28 0.87 -0.75 4.76 5.15 2r9cA1 ASN 94 HB2 0.02 -0.01 -0.16 -0.04 2.88 2.69 2r9cA1 ASN 94 HB3 0.03 -0.05 0.08 -0.04 2.79 2.81 2r9cA1 ASN 94 HD21 0.05 -0.03 -0.02 -0.04 7.03 6.99 2r9cA1 ASN 94 HD22 0.04 -0.03 0.00 -0.04 7.74 7.71 2r9cA1 PRO 95 HA 0.08 0.14 0.55 -0.51 4.44 4.70 2r9cA1 PRO 95 HB2 -1.29 -0.06 -0.19 -0.04 2.28 0.70 2r9cA1 PRO 95 HB3 -0.51 0.10 -0.06 -0.04 2.02 1.51 2r9cA1 PRO 95 HG2 -0.54 -0.05 -0.08 -0.04 2.03 1.32 2r9cA1 PRO 95 HG3 -0.51 -0.02 -0.34 -0.04 2.03 1.12 2r9cA1 PRO 95 HD2 -0.11 0.24 -0.17 -0.04 3.68 3.60 2r9cA1 PRO 95 HD3 -0.14 0.29 -0.40 -0.04 3.65 3.36 2r9cA1 GLN 96 H 0.28 0.71 0.34 -0.55 8.47 9.26 2r9cA1 GLN 96 HA 0.44 0.07 0.88 -0.75 4.36 4.99 2r9cA1 GLN 96 HB2 0.19 0.03 -0.10 -0.04 2.15 2.23 2r9cA1 GLN 96 HB3 0.25 -0.03 -0.16 -0.04 2.02 2.03 2r9cA1 GLN 96 HG2 0.13 0.23 -0.34 -0.04 2.40 2.37 2r9cA1 GLN 96 HG3 0.12 -0.06 -0.10 -0.04 2.39 2.30 2r9cA1 GLN 96 HE21 0.12 -0.07 -0.05 -0.04 6.97 6.94 2r9cA1 GLN 96 HE22 0.10 0.12 -0.21 -0.04 7.69 7.66 2r9cA1 PHE 97 H 0.64 0.13 0.16 -0.55 8.34 8.72 2r9cA1 PHE 97 HA 0.54 0.02 0.59 -0.75 4.62 5.02 2r9cA1 PHE 97 HB2 0.17 -0.05 -0.01 -0.04 3.15 3.22 2r9cA1 PHE 97 HB3 0.23 0.08 0.22 -0.04 3.06 3.55 2r9cA1 PHE 97 HD2 -0.03 -0.01 -0.08 -0.04 7.28 7.12 2r9cA1 PHE 97 HE2 0.08 0.08 -0.07 -0.04 7.38 7.43 2r9cA1 PHE 97 HZ 0.19 0.11 -0.01 -0.04 7.32 7.57 2r9cA1 ILE 98 H 0.37 0.19 0.11 -0.55 8.25 8.37 2r9cA1 ILE 98 HA 0.25 0.16 0.88 -0.75 4.18 4.71 2r9cA1 ILE 98 HB 0.16 0.01 0.04 -0.04 1.89 2.06 2r9cA1 ILE 98 HG12 -0.65 0.03 -0.08 -0.04 1.49 0.75 2r9cA1 ILE 98 HG13 -0.19 -0.09 -0.51 -0.04 1.21 0.39 2r9cA1 ILE 98 HG23 -0.01 0.01 -0.43 -0.04 0.93 0.46 2r9cA1 ILE 98 HD13 0.03 0.02 -0.06 -0.04 0.88 0.84 2r9cA1 VAL 99 H 0.17 0.31 0.03 -0.55 8.24 8.19 2r9cA1 VAL 99 HA 0.10 0.15 0.88 -0.75 4.13 4.51 2r9cA1 VAL 99 HB 0.08 -0.01 0.06 -0.04 2.12 2.21 2r9cA1 VAL 99 HG13 0.05 0.01 -0.11 -0.04 0.97 0.88 2r9cA1 VAL 99 HG23 0.11 -0.00 -0.29 -0.04 0.95 0.72 2r9cA1 ASP 100 H 0.06 0.15 0.08 -0.55 8.40 8.15 2r9cA1 ASP 100 HA 0.04 0.01 0.31 -0.75 4.63 4.23 2r9cA1 ASP 100 HB2 0.04 0.15 -0.15 -0.04 2.71 2.71 2r9cA1 ASP 100 HB3 0.03 0.01 0.20 -0.04 2.70 2.90 2r9cA1 GLY 101 H 0.04 -0.05 -0.37 -0.55 8.43 7.50 2r9cA1 GLY 101 HA2 0.00 -0.02 0.24 -0.51 4.01 3.72 2r9cA1 GLY 101 HA3 0.01 0.19 0.43 -0.51 4.01 4.12 2r9cA1 ALA 102 H -0.16 0.18 0.05 -0.55 8.40 7.91 2r9cA1 ALA 102 HA -0.20 0.06 0.77 -0.75 4.34 4.21 2r9cA1 ALA 102 HB3 -1.42 0.01 0.09 -0.04 1.41 0.05 2r9cA1 THR 103 H 0.24 0.19 0.09 -0.55 8.28 8.25 2r9cA1 THR 103 HA 0.01 0.33 0.87 -0.75 4.39 4.84 2r9cA1 THR 103 HB 0.02 -0.04 0.11 -0.04 4.32 4.37 2r9cA1 THR 103 HG23 0.01 0.05 -0.26 -0.04 1.22 0.98 2r9cA1 ARG 104 H 0.02 0.24 0.13 -0.55 8.46 8.29 2r9cA1 ARG 104 HA 0.05 0.10 0.25 -0.75 4.34 3.98 2r9cA1 ARG 104 HB2 -0.03 -0.01 0.07 -0.04 1.90 1.90 2r9cA1 ARG 104 HB3 -0.01 0.21 0.12 -0.04 1.80 2.08 2r9cA1 ARG 104 HG2 -0.02 -0.11 0.08 -0.04 1.67 1.59 2r9cA1 ARG 104 HG3 -0.03 0.02 -0.15 -0.04 1.67 1.47 2r9cA1 ARG 104 HD2 -0.07 -0.02 -0.08 -0.04 3.22 3.01 2r9cA1 ARG 104 HD3 -0.05 0.08 -0.01 -0.04 3.22 3.20 2r9cA1 THR 105 H 0.02 0.09 -0.18 -0.55 8.28 7.66 2r9cA1 THR 105 HA -0.01 0.22 0.55 -0.75 4.39 4.39 2r9cA1 THR 105 HB 0.00 0.02 0.11 -0.04 4.32 4.41 2r9cA1 THR 105 HG23 0.00 0.02 0.02 -0.04 1.22 1.23 2r9cA1 ASP 106 H 0.05 0.43 -0.45 -0.55 8.40 7.89 2r9cA1 ASP 106 HA -0.09 -0.10 0.64 -0.75 4.63 4.33 2r9cA1 ASP 106 HB2 0.17 0.19 0.05 -0.04 2.71 3.08 2r9cA1 ASP 106 HB3 -0.21 -0.12 0.14 -0.04 2.70 2.48 2r9cA1 ILE 107 H -0.09 0.41 -0.51 -0.55 8.25 7.50 2r9cA1 ILE 107 HA -0.28 0.00 0.72 -0.75 4.18 3.87 2r9cA1 ILE 107 HB -0.09 0.14 0.21 -0.04 1.89 2.11 2r9cA1 ILE 107 HG12 -0.06 0.00 -0.17 -0.04 1.49 1.21 2r9cA1 ILE 107 HG13 -0.07 -0.05 -0.17 -0.04 1.21 0.88 2r9cA1 ILE 107 HG23 -0.14 0.03 -0.07 -0.04 0.93 0.71 2r9cA1 ILE 107 HD13 -0.41 0.02 -0.25 -0.04 0.88 0.20 2r9cA1 CYS 108 H -0.34 0.51 0.08 -0.55 8.50 8.20 2r9cA1 CYS 108 HA -0.12 0.24 0.76 -0.75 4.58 4.70 2r9cA1 CYS 108 HB2 -0.66 0.12 -0.05 -0.04 2.97 2.34 2r9cA1 CYS 108 HB3 -0.27 0.09 -0.08 -0.04 2.97 2.67 2r9cA1 GLN 109 H 0.02 0.43 0.25 -0.55 8.47 8.63 2r9cA1 GLN 109 HA -0.05 -0.15 0.16 -0.75 4.36 3.57 2r9cA1 GLN 109 HB2 0.17 -0.02 -0.13 -0.04 2.15 2.13 2r9cA1 GLN 109 HB3 0.27 -0.01 0.02 -0.04 2.02 2.26 2r9cA1 GLN 109 HG2 0.08 0.38 -0.09 -0.04 2.40 2.73 2r9cA1 GLN 109 HG3 0.06 -0.17 -0.04 -0.04 2.39 2.20 2r9cA1 GLN 109 HE21 0.23 -0.25 0.04 -0.04 6.97 6.95 2r9cA1 GLN 109 HE22 0.11 0.27 0.09 -0.04 7.69 8.12 2r9cA1 GLY 110 H 0.05 -0.13 -0.14 -0.55 8.43 7.66 2r9cA1 GLY 110 HA2 0.06 0.25 0.78 -0.51 4.01 4.59 2r9cA1 GLY 110 HA3 0.10 0.18 0.38 -0.51 4.01 4.16 2r9cA1 ALA 111 H 0.03 0.67 0.18 -0.55 8.40 8.73 2r9cA1 ALA 111 HA -0.01 0.09 0.32 -0.75 4.34 4.00 2r9cA1 ALA 111 HB3 -0.06 0.00 0.11 -0.04 1.41 1.42 2r9cA1 LEU 112 H 0.08 0.62 0.22 -0.55 8.37 8.74 2r9cA1 LEU 112 HA 0.07 0.11 0.60 -0.75 4.35 4.38 2r9cA1 LEU 112 HB2 -0.01 0.11 -0.42 -0.04 1.64 1.28 2r9cA1 LEU 112 HB3 0.01 -0.09 -0.19 -0.04 1.64 1.32 2r9cA1 LEU 112 HG -0.02 -0.09 -0.21 -0.04 1.64 1.29 2r9cA1 LEU 112 HD13 -0.12 0.04 -0.11 -0.04 0.93 0.70 2r9cA1 LEU 112 HD23 -0.27 0.04 -0.08 -0.04 0.89 0.53 2r9cA1 GLY 113 H 0.08 0.20 0.07 -0.55 8.43 8.23 2r9cA1 GLY 113 HA2 0.15 0.16 0.58 -0.51 4.01 4.38 2r9cA1 GLY 113 HA3 0.15 0.01 0.48 -0.51 4.01 4.14 2r9cA1 ASP 114 H 0.02 0.36 -0.54 -0.55 8.40 7.69 2r9cA1 ASP 114 HA -0.26 0.30 0.73 -0.75 4.63 4.64 2r9cA1 ASP 114 HB2 -0.65 -0.04 0.10 -0.04 2.71 2.08 2r9cA1 ASP 114 HB3 -0.13 0.10 -0.19 -0.04 2.70 2.44 2r9cA1 CYS 115 H 0.11 0.25 -0.27 -0.55 8.50 8.04 2r9cA1 CYS 115 HA -0.05 0.10 0.35 -0.75 4.58 4.23 2r9cA1 CYS 115 HB2 -0.26 0.13 0.13 -0.04 2.97 2.92 2r9cA1 CYS 115 HB3 0.29 0.11 0.13 -0.04 2.97 3.46 2r9cA1 TRP 116 H 0.19 0.17 -0.22 -0.55 7.97 7.56 2r9cA1 TRP 116 HA -0.15 0.04 0.38 -0.75 4.62 4.13 2r9cA1 TRP 116 HB2 -0.15 -0.09 -0.49 -0.04 3.23 2.45 2r9cA1 TRP 116 HB3 -0.10 0.10 -0.13 -0.04 3.23 3.06 2r9cA1 TRP 116 HD1 -0.02 -0.01 0.08 -0.04 7.22 7.23 2r9cA1 TRP 116 HE1 -0.00 0.62 -0.10 -0.04 10.20 10.67 2r9cA1 TRP 116 HE3 -0.16 -0.03 -0.43 -0.04 7.59 6.93 2r9cA1 TRP 116 HZ2 0.04 0.16 -0.02 -0.04 7.44 7.58 2r9cA1 TRP 116 HZ3 -0.04 -0.02 -0.10 -0.04 7.13 6.92 2r9cA1 TRP 116 HH2 0.22 0.11 -0.06 -0.04 7.19 7.41 2r9cA1 LEU 117 H -1.66 0.17 -0.28 -0.55 8.37 6.06 2r9cA1 LEU 117 HA -0.62 0.04 0.48 -0.75 4.35 3.49 2r9cA1 LEU 117 HB2 -1.96 0.02 0.04 -0.04 1.64 -0.31 2r9cA1 LEU 117 HB3 -1.04 0.12 0.11 -0.04 1.64 0.79 2r9cA1 LEU 117 HG -0.46 -0.03 -0.34 -0.04 1.64 0.77 2r9cA1 LEU 117 HD13 -1.14 0.00 -0.02 -0.04 0.93 -0.27 2r9cA1 LEU 117 HD23 -0.51 0.01 -0.05 -0.04 0.89 0.31 2r9cA1 LEU 118 H -0.38 0.47 -0.12 -0.55 8.37 7.79 2r9cA1 LEU 118 HA -0.18 0.04 0.32 -0.75 4.35 3.77 2r9cA1 LEU 118 HB2 -0.14 0.04 0.09 -0.04 1.64 1.59 2r9cA1 LEU 118 HB3 -0.13 0.04 -0.02 -0.04 1.64 1.49 2r9cA1 LEU 118 HG -0.24 0.15 -0.03 -0.04 1.64 1.48 2r9cA1 LEU 118 HD13 -0.07 -0.01 -0.14 -0.04 0.93 0.67 2r9cA1 LEU 118 HD23 -0.20 -0.01 -0.11 -0.04 0.89 0.53 2r9cA1 ALA 119 H -0.15 0.67 -0.08 -0.55 8.40 8.29 2r9cA1 ALA 119 HA -0.06 0.04 0.46 -0.75 4.34 4.03 2r9cA1 ALA 119 HB3 -0.08 0.04 -0.14 -0.04 1.41 1.19 2r9cA1 ALA 120 H -0.04 0.35 -0.39 -0.55 8.40 7.77 2r9cA1 ALA 120 HA 0.51 0.01 0.41 -0.75 4.34 4.51 2r9cA1 ALA 120 HB3 0.22 0.05 0.00 -0.04 1.41 1.64 2r9cA1 ILE 121 H 0.03 0.49 -0.06 -0.55 8.25 8.16 2r9cA1 ILE 121 HA -0.20 0.06 0.44 -0.75 4.18 3.72 2r9cA1 ILE 121 HB -0.11 0.03 0.08 -0.04 1.89 1.84 2r9cA1 ILE 121 HG12 -0.32 0.02 -0.05 -0.04 1.49 1.11 2r9cA1 ILE 121 HG13 0.03 0.17 0.01 -0.04 1.21 1.37 2r9cA1 ILE 121 HG23 -0.04 -0.01 -0.16 -0.04 0.93 0.67 2r9cA1 ILE 121 HD13 -0.16 -0.02 -0.13 -0.04 0.88 0.52 2r9cA1 ALA 122 H -0.03 0.67 -0.11 -0.55 8.40 8.39 2r9cA1 ALA 122 HA 0.01 -0.04 0.38 -0.75 4.34 3.93 2r9cA1 ALA 122 HB3 -0.03 0.02 0.12 -0.04 1.41 1.47 2r9cA1 SER 123 H 0.07 0.48 -0.21 -0.55 8.46 8.26 2r9cA1 SER 123 HA -0.02 0.04 0.48 -0.75 4.49 4.23 2r9cA1 SER 123 HB2 0.19 0.06 0.17 -0.04 3.95 4.33 2r9cA1 SER 123 HB3 -0.05 -0.09 0.13 -0.04 3.93 3.89 2r9cA1 LEU 124 H 0.02 0.51 -0.21 -0.55 8.37 8.14 2r9cA1 LEU 124 HA -0.05 0.01 0.37 -0.75 4.35 3.93 2r9cA1 LEU 124 HB2 -0.11 0.03 0.10 -0.04 1.64 1.62 2r9cA1 LEU 124 HB3 -0.16 0.17 0.17 -0.04 1.64 1.77 2r9cA1 LEU 124 HG -0.19 -0.07 -0.16 -0.04 1.64 1.18 2r9cA1 LEU 124 HD13 -0.02 0.01 -0.08 -0.04 0.93 0.79 2r9cA1 LEU 124 HD23 -0.64 -0.01 -0.01 -0.04 0.89 0.19 2r9cA1 THR 125 H -0.03 0.41 -0.33 -0.55 8.28 7.77 2r9cA1 THR 125 HA -0.15 0.02 0.26 -0.75 4.39 3.77 2r9cA1 THR 125 HB -0.06 0.09 0.09 -0.04 4.32 4.40 2r9cA1 THR 125 HG23 0.10 0.05 -0.23 -0.04 1.22 1.10 2r9cA1 LEU 126 H -0.06 0.49 -0.49 -0.55 8.37 7.77 2r9cA1 LEU 126 HA -0.05 0.02 0.57 -0.75 4.35 4.13 2r9cA1 LEU 126 HB2 -0.07 0.19 0.12 -0.04 1.64 1.84 2r9cA1 LEU 126 HB3 -0.06 -0.04 0.19 -0.04 1.64 1.69 2r9cA1 LEU 126 HG -0.06 0.03 0.07 -0.04 1.64 1.65 2r9cA1 LEU 126 HD13 -0.08 -0.01 0.12 -0.04 0.93 0.91 2r9cA1 LEU 126 HD23 -0.06 -0.03 0.05 -0.04 0.89 0.82 2r9cA1 ASN 127 H -0.08 0.53 -0.32 -0.55 8.53 8.12 2r9cA1 ASN 127 HA -0.05 0.11 0.88 -0.75 4.76 4.95 2r9cA1 ASN 127 HB2 -0.06 0.19 0.07 -0.04 2.88 3.04 2r9cA1 ASN 127 HB3 -0.06 0.03 0.27 -0.04 2.79 2.98 2r9cA1 ASN 127 HD21 -0.04 -0.06 0.08 -0.04 7.03 6.97 2r9cA1 ASN 127 HD22 -0.05 0.62 0.20 -0.04 7.74 8.47 2r9cA1 GLU 128 H -0.03 0.24 0.06 -0.55 8.60 8.33 2r9cA1 GLU 128 HA -0.06 0.13 0.32 -0.75 4.29 3.93 2r9cA1 GLU 128 HB2 0.00 0.08 0.14 -0.04 2.09 2.27 2r9cA1 GLU 128 HB3 0.03 -0.02 0.07 -0.04 1.99 2.02 2r9cA1 GLU 128 HG2 0.09 -0.01 0.01 -0.04 2.34 2.38 2r9cA1 GLU 128 HG3 0.20 -0.03 0.04 -0.04 2.34 2.51 2r9cA1 THR 129 H -0.01 0.12 -0.12 -0.55 8.28 7.72 2r9cA1 THR 129 HA 0.02 0.09 0.41 -0.75 4.39 4.16 2r9cA1 THR 129 HB -0.03 0.01 0.10 -0.04 4.32 4.36 2r9cA1 THR 129 HG23 -0.03 0.01 -0.07 -0.04 1.22 1.10 2r9cA1 ILE 130 H -0.05 0.16 -0.10 -0.55 8.25 7.72 2r9cA1 ILE 130 HA -0.06 0.00 0.41 -0.75 4.18 3.78 2r9cA1 ILE 130 HB -0.01 0.00 0.12 -0.04 1.89 1.95 2r9cA1 ILE 130 HG12 0.09 -0.04 0.03 -0.04 1.49 1.53 2r9cA1 ILE 130 HG13 0.04 -0.01 -0.08 -0.04 1.21 1.13 2r9cA1 ILE 130 HG23 -0.05 0.01 0.11 -0.04 0.93 0.96 2r9cA1 ILE 130 HD13 0.12 0.13 0.22 -0.04 0.88 1.31 2r9cA1 LEU 131 H -0.12 0.62 -0.10 -0.55 8.37 8.23 2r9cA1 LEU 131 HA -0.23 0.01 0.39 -0.75 4.35 3.76 2r9cA1 LEU 131 HB2 -0.24 0.18 -0.02 -0.04 1.64 1.51 2r9cA1 LEU 131 HB3 -0.30 0.06 0.14 -0.04 1.64 1.49 2r9cA1 LEU 131 HG -0.98 -0.03 -0.21 -0.04 1.64 0.38 2r9cA1 LEU 131 HD13 -0.48 -0.04 -0.09 -0.04 0.93 0.29 2r9cA1 LEU 131 HD23 -0.49 -0.02 0.06 -0.04 0.89 0.40 2r9cA1 HIS 132 H -0.13 0.46 -0.21 -0.55 8.41 7.98 2r9cA1 HIS 132 HA -0.35 0.25 0.50 -0.75 4.63 4.28 2r9cA1 HIS 132 HB2 -0.26 0.09 0.14 -0.04 3.26 3.19 2r9cA1 HIS 132 HB3 -1.07 -0.09 0.14 -0.04 3.20 2.14 2r9cA1 HIS 132 HD2 -0.06 0.02 0.05 -0.04 6.97 6.94 2r9cA1 HIS 132 HE1 -0.25 -0.09 -0.03 -0.04 7.75 7.33 2r9cA1 ARG 133 H -0.11 0.24 -0.33 -0.55 8.46 7.71 2r9cA1 ARG 133 HA -0.13 0.03 0.70 -0.75 4.34 4.18 2r9cA1 ARG 133 HB2 -0.19 -0.05 0.10 -0.04 1.90 1.72 2r9cA1 ARG 133 HB3 -0.13 0.16 0.18 -0.04 1.80 1.97 2r9cA1 ARG 133 HG2 -0.40 0.07 -0.24 -0.04 1.67 1.05 2r9cA1 ARG 133 HG3 -0.36 -0.06 -0.02 -0.04 1.67 1.19 2r9cA1 ARG 133 HD2 -1.42 -0.05 -0.07 -0.04 3.22 1.64 2r9cA1 ARG 133 HD3 -0.51 -0.04 -0.02 -0.04 3.22 2.61 2r9cA1 VAL 134 H -0.05 0.43 -0.05 -0.55 8.24 8.03 2r9cA1 VAL 134 HA 0.20 0.19 0.59 -0.75 4.13 4.36 2r9cA1 VAL 134 HB -0.06 0.07 0.22 -0.04 2.12 2.31 2r9cA1 VAL 134 HG13 0.10 -0.02 0.01 -0.04 0.97 1.02 2r9cA1 VAL 134 HG23 0.25 0.02 0.17 -0.04 0.95 1.35 2r9cA1 VAL 135 H -0.10 0.51 -0.06 -0.55 8.24 8.04 2r9cA1 VAL 135 HA 0.17 0.16 0.86 -0.75 4.13 4.57 2r9cA1 VAL 135 HB -0.30 0.03 0.11 -0.04 2.12 1.91 2r9cA1 VAL 135 HG13 0.18 -0.02 -0.07 -0.04 0.97 1.01 2r9cA1 VAL 135 HG23 0.16 -0.02 -0.10 -0.04 0.95 0.94 2r9cA1 PRO 136 HA -0.19 0.14 0.46 -0.51 4.44 4.34 2r9cA1 PRO 136 HB2 -0.43 -0.03 -0.03 -0.04 2.28 1.75 2r9cA1 PRO 136 HB3 -0.13 -0.02 0.07 -0.04 2.02 1.90 2r9cA1 PRO 136 HG2 -0.96 -0.08 -0.12 -0.04 2.03 0.84 2r9cA1 PRO 136 HG3 -0.22 0.13 -0.06 -0.04 2.03 1.83 2r9cA1 PRO 136 HD2 -0.61 0.25 0.26 -0.04 3.68 3.54 2r9cA1 PRO 136 HD3 -0.18 0.31 -0.06 -0.04 3.65 3.69 2r9cA1 TYR 137 H -0.11 0.12 0.22 -0.55 8.29 7.97 2r9cA1 TYR 137 HA -0.05 0.01 0.57 -0.75 4.56 4.33 2r9cA1 TYR 137 HB2 -0.06 0.01 0.12 -0.04 3.06 3.08 2r9cA1 TYR 137 HB3 -0.08 -0.04 0.08 -0.04 2.98 2.90 2r9cA1 TYR 137 HD2 -0.20 -0.03 0.08 -0.04 7.15 6.96 2r9cA1 TYR 137 HE2 -0.49 -0.02 0.02 -0.04 6.85 6.31 2r9cA1 GLY 138 H 0.13 0.07 0.19 -0.55 8.43 8.27 2r9cA1 GLY 138 HA2 0.05 -0.02 0.25 -0.51 4.01 3.78 2r9cA1 GLY 138 HA3 0.05 0.13 0.27 -0.51 4.01 3.96 2r9cA1 GLN 139 H -0.03 0.10 0.03 -0.55 8.47 8.01 2r9cA1 GLN 139 HA -0.13 0.22 0.84 -0.75 4.36 4.55 2r9cA1 GLN 139 HB2 -1.15 -0.05 0.04 -0.04 2.15 0.96 2r9cA1 GLN 139 HB3 -0.41 -0.01 0.02 -0.04 2.02 1.58 2r9cA1 GLN 139 HG2 -0.17 0.03 -0.19 -0.04 2.40 2.03 2r9cA1 GLN 139 HG3 -0.23 0.16 -0.31 -0.04 2.39 1.96 2r9cA1 GLN 139 HE21 -0.75 0.33 0.18 -0.04 6.97 6.68 2r9cA1 GLN 139 HE22 -0.35 0.38 0.01 -0.04 7.69 7.68 2r9cA1 SER 140 H -0.09 0.37 0.19 -0.55 8.46 8.38 2r9cA1 SER 140 HA 0.13 0.03 0.81 -0.75 4.49 4.71 2r9cA1 SER 140 HB2 0.15 -0.04 0.10 -0.04 3.95 4.12 2r9cA1 SER 140 HB3 0.08 0.07 -0.49 -0.04 3.93 3.55 2r9cA1 PHE 141 H 0.31 0.13 0.14 -0.55 8.34 8.37 2r9cA1 PHE 141 HA -0.15 0.15 0.82 -0.75 4.62 4.69 2r9cA1 PHE 141 HB2 0.01 0.18 0.04 -0.04 3.15 3.35 2r9cA1 PHE 141 HB3 -0.28 0.06 0.11 -0.04 3.06 2.91 2r9cA1 PHE 141 HD2 -0.14 -0.05 -0.14 -0.04 7.28 6.91 2r9cA1 PHE 141 HE2 0.33 -0.01 -0.36 -0.04 7.38 7.30 2r9cA1 PHE 141 HZ -0.03 0.03 -0.16 -0.04 7.32 7.13 2r9cA1 GLN 142 H 0.13 -0.06 -0.27 -0.55 8.47 7.72 2r9cA1 GLN 142 HA 0.09 0.33 0.99 -0.75 4.36 5.01 2r9cA1 GLN 142 HB2 0.09 -0.05 0.17 -0.04 2.15 2.31 2r9cA1 GLN 142 HB3 0.07 0.03 0.15 -0.04 2.02 2.23 2r9cA1 GLN 142 HG2 0.08 0.03 -0.00 -0.04 2.40 2.47 2r9cA1 GLN 142 HG3 0.09 0.16 -0.20 -0.04 2.39 2.40 2r9cA1 GLN 142 HE21 0.24 -0.08 0.06 -0.04 6.97 7.15 2r9cA1 GLN 142 HE22 0.16 0.20 -0.09 -0.04 7.69 7.91 2r9cA1 GLU 143 H 0.07 0.08 0.10 -0.55 8.60 8.30 2r9cA1 GLU 143 HA 0.06 0.07 0.35 -0.75 4.29 4.01 2r9cA1 GLU 143 HB2 0.04 0.01 0.13 -0.04 2.09 2.23 2r9cA1 GLU 143 HB3 0.04 -0.03 0.15 -0.04 1.99 2.10 2r9cA1 GLU 143 HG2 0.02 -0.01 -0.03 -0.04 2.34 2.28 2r9cA1 GLU 143 HG3 0.02 0.06 -0.31 -0.04 2.34 2.07 2r9cA1 GLY 144 H 0.04 0.17 0.18 -0.55 8.43 8.28 2r9cA1 GLY 144 HA2 -0.02 0.01 0.30 -0.51 4.01 3.80 2r9cA1 GLY 144 HA3 -0.02 0.09 0.46 -0.51 4.01 4.03 2r9cA1 TYR 145 H 0.15 0.47 -0.47 -0.55 8.29 7.89 2r9cA1 TYR 145 HA -0.15 -0.03 0.55 -0.75 4.56 4.19 2r9cA1 TYR 145 HB2 0.02 -0.00 -0.12 -0.04 3.06 2.92 2r9cA1 TYR 145 HB3 0.05 0.14 0.00 -0.04 2.98 3.13 2r9cA1 TYR 145 HD2 -0.03 0.14 0.00 -0.04 7.15 7.21 2r9cA1 TYR 145 HE2 0.32 0.02 -0.05 -0.04 6.85 7.10 2r9cA1 ALA 146 H -0.50 0.04 0.24 -0.55 8.40 7.63 2r9cA1 ALA 146 HA -0.36 0.25 0.69 -0.75 4.34 4.17 2r9cA1 ALA 146 HB3 -0.20 0.03 0.10 -0.04 1.41 1.30 2r9cA1 GLY 147 H -1.55 0.13 0.12 -0.55 8.43 6.59 2r9cA1 GLY 147 HA2 -0.06 0.01 0.31 -0.51 4.01 3.75 2r9cA1 GLY 147 HA3 -0.09 0.09 0.33 -0.51 4.01 3.83 2r9cA1 ILE 148 H -0.39 0.08 -0.04 -0.55 8.25 7.35 2r9cA1 ILE 148 HA 0.28 0.31 0.97 -0.75 4.18 4.99 2r9cA1 ILE 148 HB -0.16 0.01 -0.18 -0.04 1.89 1.51 2r9cA1 ILE 148 HG12 0.09 0.03 -0.22 -0.04 1.49 1.35 2r9cA1 ILE 148 HG13 -0.01 0.12 -0.03 -0.04 1.21 1.25 2r9cA1 ILE 148 HG23 -0.36 -0.03 -0.11 -0.04 0.93 0.39 2r9cA1 ILE 148 HD13 -0.97 -0.02 -0.13 -0.04 0.88 -0.29 2r9cA1 PHE 149 H 0.38 0.71 0.32 -0.55 8.34 9.20 2r9cA1 PHE 149 HA 0.02 0.14 0.72 -0.75 4.62 4.74 2r9cA1 PHE 149 HB2 0.32 0.04 -0.09 -0.04 3.15 3.38 2r9cA1 PHE 149 HB3 -0.05 0.05 0.03 -0.04 3.06 3.06 2r9cA1 PHE 149 HD2 -0.18 0.03 -0.24 -0.04 7.28 6.86 2r9cA1 PHE 149 HE2 -0.15 -0.09 -0.23 -0.04 7.38 6.87 2r9cA1 PHE 149 HZ -1.16 -0.01 -0.25 -0.04 7.32 5.85 2r9cA1 HIS 150 H -0.34 0.27 0.18 -0.55 8.41 7.99 2r9cA1 HIS 150 HA 0.02 0.31 0.85 -0.75 4.63 5.05 2r9cA1 HIS 150 HB2 -0.13 0.04 -0.03 -0.04 3.26 3.10 2r9cA1 HIS 150 HB3 -0.31 -0.08 -0.20 -0.04 3.20 2.56 2r9cA1 HIS 150 HD2 -1.27 -0.07 -0.04 -0.04 6.97 5.54 2r9cA1 HIS 150 HE1 -0.18 0.01 -0.07 -0.04 7.75 7.47 2r9cA1 PHE 151 H 0.20 0.56 0.40 -0.55 8.34 8.95 2r9cA1 PHE 151 HA -0.04 0.31 0.90 -0.75 4.62 5.03 2r9cA1 PHE 151 HB2 0.15 -0.08 0.00 -0.04 3.15 3.18 2r9cA1 PHE 151 HB3 0.15 0.13 0.12 -0.04 3.06 3.41 2r9cA1 PHE 151 HD2 0.17 0.10 -0.12 -0.04 7.28 7.40 2r9cA1 PHE 151 HE2 0.36 -0.05 -0.18 -0.04 7.38 7.48 2r9cA1 PHE 151 HZ 0.47 -0.08 -0.10 -0.04 7.32 7.57 2r9cA1 GLN 152 H 0.24 0.63 0.40 -0.55 8.47 9.19 2r9cA1 GLN 152 HA 0.27 0.33 1.27 -0.75 4.36 5.46 2r9cA1 GLN 152 HB2 0.18 0.17 0.08 -0.04 2.15 2.54 2r9cA1 GLN 152 HB3 0.31 -0.07 -0.01 -0.04 2.02 2.21 2r9cA1 GLN 152 HG2 0.13 -0.06 -0.35 -0.04 2.40 2.07 2r9cA1 GLN 152 HG3 0.01 0.13 -0.08 -0.04 2.39 2.41 2r9cA1 GLN 152 HE21 0.10 -0.06 -0.04 -0.04 6.97 6.92 2r9cA1 GLN 152 HE22 0.16 -0.05 -0.10 -0.04 7.69 7.66 2r9cA1 LEU 153 H 0.29 0.53 0.37 -0.55 8.37 9.01 2r9cA1 LEU 153 HA 0.44 0.26 0.93 -0.75 4.35 5.22 2r9cA1 LEU 153 HB2 -0.03 -0.08 -0.05 -0.04 1.64 1.44 2r9cA1 LEU 153 HB3 0.01 0.09 0.05 -0.04 1.64 1.75 2r9cA1 LEU 153 HG 0.21 -0.06 -0.40 -0.04 1.64 1.35 2r9cA1 LEU 153 HD13 -0.09 -0.02 -0.16 -0.04 0.93 0.62 2r9cA1 LEU 153 HD23 0.46 0.06 -0.06 -0.04 0.89 1.31 2r9cA1 TRP 154 H 0.01 0.83 0.28 -0.55 7.97 8.54 2r9cA1 TRP 154 HA -0.87 0.21 0.78 -0.75 4.62 3.99 2r9cA1 TRP 154 HB2 -1.76 0.01 -0.11 -0.04 3.23 1.32 2r9cA1 TRP 154 HB3 -0.52 0.02 0.18 -0.04 3.23 2.87 2r9cA1 TRP 154 HD1 -0.24 -0.01 -0.13 -0.04 7.22 6.79 2r9cA1 TRP 154 HE1 -0.15 -0.01 -0.06 -0.04 10.20 9.94 2r9cA1 TRP 154 HE3 -1.97 0.03 -0.35 -0.04 7.59 5.26 2r9cA1 TRP 154 HZ2 -0.10 -0.01 -0.06 -0.04 7.44 7.24 2r9cA1 TRP 154 HZ3 -0.17 -0.03 -0.22 -0.04 7.13 6.66 2r9cA1 TRP 154 HH2 -0.05 0.06 -0.13 -0.04 7.19 7.03 2r9cA1 GLN 155 H -0.77 0.85 0.36 -0.55 8.47 8.36 2r9cA1 GLN 155 HA -0.72 0.09 0.86 -0.75 4.36 3.84 2r9cA1 GLN 155 HB2 -0.51 0.03 -0.08 -0.04 2.15 1.55 2r9cA1 GLN 155 HB3 -1.47 -0.00 -0.11 -0.04 2.02 0.40 2r9cA1 GLN 155 HG2 -0.39 -0.02 -0.63 -0.04 2.40 1.33 2r9cA1 GLN 155 HG3 -0.55 0.01 -0.14 -0.04 2.39 1.66 2r9cA1 GLN 155 HE21 -0.35 -0.10 0.08 -0.04 6.97 6.55 2r9cA1 GLN 155 HE22 -0.38 0.65 0.34 -0.04 7.69 8.26 2r9cA1 PHE 156 H -0.69 0.18 0.14 -0.55 8.34 7.42 2r9cA1 PHE 156 HA -0.22 0.03 0.33 -0.75 4.62 4.01 2r9cA1 PHE 156 HB2 -0.19 0.14 0.14 -0.04 3.15 3.20 2r9cA1 PHE 156 HB3 -0.13 0.00 0.18 -0.04 3.06 3.07 2r9cA1 PHE 156 HD2 -0.10 0.03 -0.07 -0.04 7.28 7.11 2r9cA1 PHE 156 HE2 -0.05 0.01 -0.02 -0.04 7.38 7.28 2r9cA1 PHE 156 HZ 0.03 0.10 0.02 -0.04 7.32 7.42 2r9cA1 GLY 157 H -0.73 0.00 -0.38 -0.55 8.43 6.77 2r9cA1 GLY 157 HA2 -0.93 -0.01 0.18 -0.51 4.01 2.74 2r9cA1 GLY 157 HA3 -0.29 0.06 0.42 -0.51 4.01 3.69 2r9cA1 GLU 158 H -0.96 0.36 -0.18 -0.55 8.60 7.27 2r9cA1 GLU 158 HA -0.17 0.13 0.75 -0.75 4.29 4.24 2r9cA1 GLU 158 HB2 -0.08 0.06 -0.10 -0.04 2.09 1.93 2r9cA1 GLU 158 HB3 0.03 0.04 -0.03 -0.04 1.99 1.99 2r9cA1 GLU 158 HG2 -0.10 0.09 -0.49 -0.04 2.34 1.80 2r9cA1 GLU 158 HG3 0.01 -0.05 -0.10 -0.04 2.34 2.16 2r9cA1 TRP 159 H 0.40 0.16 0.12 -0.55 7.97 8.11 2r9cA1 TRP 159 HA 0.25 0.24 0.83 -0.75 4.62 5.18 2r9cA1 TRP 159 HB2 0.20 -0.02 0.13 -0.04 3.23 3.50 2r9cA1 TRP 159 HB3 0.17 0.02 -0.05 -0.04 3.23 3.33 2r9cA1 TRP 159 HD1 0.31 -0.01 -0.04 -0.04 7.22 7.45 2r9cA1 TRP 159 HE1 -0.06 0.01 -0.09 -0.04 10.20 10.01 2r9cA1 TRP 159 HE3 0.21 0.05 -0.36 -0.04 7.59 7.44 2r9cA1 TRP 159 HZ2 -0.10 0.17 -0.23 -0.04 7.44 7.23 2r9cA1 TRP 159 HZ3 0.22 0.12 -0.31 -0.04 7.13 7.12 2r9cA1 TRP 159 HH2 0.11 0.18 -0.46 -0.04 7.19 6.99 2r9cA1 VAL 160 H 0.26 0.80 0.36 -0.55 8.24 9.10 2r9cA1 VAL 160 HA 0.20 0.29 1.00 -0.75 4.13 4.87 2r9cA1 VAL 160 HB 0.21 -0.03 0.04 -0.04 2.12 2.29 2r9cA1 VAL 160 HG13 0.15 -0.00 -0.24 -0.04 0.97 0.84 2r9cA1 VAL 160 HG23 -0.05 0.01 -0.04 -0.04 0.95 0.84 2r9cA1 ASP 161 H 0.20 0.58 0.19 -0.55 8.40 8.82 2r9cA1 ASP 161 HA 0.21 0.32 0.97 -0.75 4.63 5.38 2r9cA1 ASP 161 HB2 0.18 0.01 -0.05 -0.04 2.71 2.81 2r9cA1 ASP 161 HB3 0.17 -0.07 0.01 -0.04 2.70 2.77 2r9cA1 VAL 162 H 0.23 0.83 0.37 -0.55 8.24 9.11 2r9cA1 VAL 162 HA 0.31 0.09 0.87 -0.75 4.13 4.64 2r9cA1 VAL 162 HB 0.21 -0.02 0.09 -0.04 2.12 2.36 2r9cA1 VAL 162 HG13 0.16 0.05 -0.09 -0.04 0.97 1.04 2r9cA1 VAL 162 HG23 -0.05 0.01 -0.19 -0.04 0.95 0.69 2r9cA1 VAL 163 H 0.27 0.14 0.16 -0.55 8.24 8.27 2r9cA1 VAL 163 HA 0.28 0.27 1.03 -0.75 4.13 4.96 2r9cA1 VAL 163 HB 0.15 0.06 0.03 -0.04 2.12 2.32 2r9cA1 VAL 163 HG13 0.13 -0.00 -0.19 -0.04 0.97 0.86 2r9cA1 VAL 163 HG23 0.26 -0.02 -0.15 -0.04 0.95 1.00 2r9cA1 VAL 164 H 0.40 0.63 0.31 -0.55 8.24 9.03 2r9cA1 VAL 164 HA 0.44 0.10 0.34 -0.75 4.13 4.25 2r9cA1 VAL 164 HB 0.44 0.21 0.06 -0.04 2.12 2.79 2r9cA1 VAL 164 HG13 0.32 -0.01 -0.22 -0.04 0.97 1.01 2r9cA1 VAL 164 HG23 0.56 -0.02 -0.19 -0.04 0.95 1.26 2r9cA1 ASP 165 H 0.36 0.10 0.10 -0.55 8.40 8.41 2r9cA1 ASP 165 HA 0.54 0.34 0.99 -0.75 4.63 5.75 2r9cA1 ASP 165 HB2 0.15 0.30 0.21 -0.04 2.71 3.34 2r9cA1 ASP 165 HB3 -0.13 -0.16 -0.07 -0.04 2.70 2.30 2r9cA1 ASP 166 H 0.39 0.34 0.10 -0.55 8.40 8.68 2r9cA1 ASP 166 HA 0.44 0.26 0.61 -0.75 4.63 5.19 2r9cA1 ASP 166 HB2 0.46 -0.01 0.10 -0.04 2.71 3.21 2r9cA1 ASP 166 HB3 0.80 -0.01 -0.16 -0.04 2.70 3.29 2r9cA1 LEU 167 H 0.28 0.04 -0.32 -0.55 8.37 7.82 2r9cA1 LEU 167 HA 0.28 0.03 0.28 -0.75 4.35 4.19 2r9cA1 LEU 167 HB2 0.20 -0.00 -0.00 -0.04 1.64 1.79 2r9cA1 LEU 167 HB3 0.45 0.00 -0.19 -0.04 1.64 1.86 2r9cA1 LEU 167 HG 0.17 -0.07 -0.07 -0.04 1.64 1.62 2r9cA1 LEU 167 HD13 -0.01 0.01 0.01 -0.04 0.93 0.90 2r9cA1 LEU 167 HD23 0.18 -0.01 -0.22 -0.04 0.89 0.79 2r9cA1 LEU 168 H 0.26 0.53 0.17 -0.55 8.37 8.78 2r9cA1 LEU 168 HA 0.31 0.21 0.85 -0.75 4.35 4.97 2r9cA1 LEU 168 HB2 0.13 0.07 0.04 -0.04 1.64 1.84 2r9cA1 LEU 168 HB3 0.11 0.00 -0.04 -0.04 1.64 1.68 2r9cA1 LEU 168 HG 0.29 0.07 -0.55 -0.04 1.64 1.41 2r9cA1 LEU 168 HD13 0.25 -0.03 -0.07 -0.04 0.93 1.04 2r9cA1 LEU 168 HD23 0.32 -0.00 -0.13 -0.04 0.89 1.03 2r9cA1 PRO 169 HA -0.83 0.11 0.43 -0.51 4.44 3.64 2r9cA1 PRO 169 HB2 -0.78 -0.12 0.10 -0.04 2.28 1.44 2r9cA1 PRO 169 HB3 -0.79 0.07 0.01 -0.04 2.02 1.27 2r9cA1 PRO 169 HG2 -0.55 0.01 0.03 -0.04 2.03 1.48 2r9cA1 PRO 169 HG3 -1.56 0.08 -0.04 -0.04 2.03 0.47 2r9cA1 PRO 169 HD2 -0.10 0.03 0.18 -0.04 3.68 3.75 2r9cA1 PRO 169 HD3 -0.00 0.22 0.17 -0.04 3.65 4.00 2r9cA1 THR 170 H -0.32 0.55 0.36 -0.55 8.28 8.33 2r9cA1 THR 170 HA -0.22 0.21 0.84 -0.75 4.39 4.46 2r9cA1 THR 170 HB -0.09 -0.14 -0.23 -0.04 4.32 3.83 2r9cA1 THR 170 HG23 -0.05 0.05 -0.37 -0.04 1.22 0.81 2r9cA1 LYS 171 H -0.16 0.66 0.17 -0.55 8.42 8.54 2r9cA1 LYS 171 HA -0.11 0.22 0.73 -0.75 4.32 4.41 2r9cA1 LYS 171 HB2 -0.18 0.02 -0.16 -0.04 1.87 1.50 2r9cA1 LYS 171 HB3 -0.16 0.00 0.03 -0.04 1.79 1.63 2r9cA1 LYS 171 HG2 -0.09 -0.04 -0.14 -0.04 1.46 1.15 2r9cA1 LYS 171 HG3 -0.09 0.15 0.11 -0.04 1.46 1.59 2r9cA1 LYS 171 HD2 -0.12 0.00 -0.07 -0.04 1.69 1.47 2r9cA1 LYS 171 HD3 -0.11 -0.04 -0.04 -0.04 1.68 1.45 2r9cA1 LYS 171 HE2 -0.05 0.05 0.07 -0.04 2.99 3.01 2r9cA1 LYS 171 HE3 -0.06 -0.03 0.00 -0.04 2.99 2.86 2r9cA1 ASP 172 H -0.06 0.24 0.12 -0.55 8.40 8.15 2r9cA1 ASP 172 HA -0.05 0.05 0.34 -0.75 4.63 4.23 2r9cA1 ASP 172 HB2 -0.07 0.14 0.01 -0.04 2.71 2.75 2r9cA1 ASP 172 HB3 -0.05 0.01 0.21 -0.04 2.70 2.82 2r9cA1 GLY 173 H -0.06 0.05 -0.35 -0.55 8.43 7.53 2r9cA1 GLY 173 HA2 -0.03 0.02 0.19 -0.51 4.01 3.68 2r9cA1 GLY 173 HA3 -0.03 0.14 0.28 -0.51 4.01 3.89 2r9cA1 LYS 174 H -0.09 0.37 -0.44 -0.55 8.42 7.70 2r9cA1 LYS 174 HA -0.07 0.00 0.96 -0.75 4.32 4.45 2r9cA1 LYS 174 HB2 -0.14 0.00 0.01 -0.04 1.87 1.70 2r9cA1 LYS 174 HB3 -0.18 0.04 0.01 -0.04 1.79 1.63 2r9cA1 LYS 174 HG2 -0.08 0.00 -0.27 -0.04 1.46 1.07 2r9cA1 LYS 174 HG3 -0.10 0.00 -0.03 -0.04 1.46 1.28 2r9cA1 LYS 174 HD2 -0.14 -0.00 0.01 -0.04 1.69 1.52 2r9cA1 LYS 174 HD3 -0.07 0.06 -0.01 -0.04 1.68 1.62 2r9cA1 LYS 174 HE2 -0.08 -0.03 -0.01 -0.04 2.99 2.83 2r9cA1 LYS 174 HE3 -0.07 0.00 -0.00 -0.04 2.99 2.88 2r9cA1 LEU 175 H -0.10 0.16 0.11 -0.55 8.37 7.99 2r9cA1 LEU 175 HA -0.13 0.19 0.50 -0.75 4.35 4.16 2r9cA1 LEU 175 HB2 -0.08 0.02 0.02 -0.04 1.64 1.56 2r9cA1 LEU 175 HB3 -0.03 0.00 -0.10 -0.04 1.64 1.47 2r9cA1 LEU 175 HG 0.08 -0.05 0.04 -0.04 1.64 1.68 2r9cA1 LEU 175 HD13 0.05 0.03 0.08 -0.04 0.93 1.05 2r9cA1 LEU 175 HD23 0.12 0.01 -0.06 -0.04 0.89 0.92 2r9cA1 VAL 176 H -0.39 0.47 0.18 -0.55 8.24 7.95 2r9cA1 VAL 176 HA -0.35 0.13 0.59 -0.75 4.13 3.75 2r9cA1 VAL 176 HB -1.22 -0.03 -0.01 -0.04 2.12 0.82 2r9cA1 VAL 176 HG13 -0.81 -0.02 -0.11 -0.04 0.97 -0.01 2r9cA1 VAL 176 HG23 -0.41 0.01 -0.28 -0.04 0.95 0.23 2r9cA1 PHE 177 H -0.31 0.09 -0.07 -0.55 8.34 7.50 2r9cA1 PHE 177 HA -0.08 -0.05 0.51 -0.75 4.62 4.25 2r9cA1 PHE 177 HB2 -0.15 0.10 0.12 -0.04 3.15 3.18 2r9cA1 PHE 177 HB3 -0.05 -0.09 0.08 -0.04 3.06 2.96 2r9cA1 PHE 177 HD2 -0.57 -0.00 -0.20 -0.04 7.28 6.46 2r9cA1 PHE 177 HE2 -0.54 0.14 -0.04 -0.04 7.38 6.90 2r9cA1 PHE 177 HZ -0.26 -0.01 -0.05 -0.04 7.32 6.96 2r9cA1 VAL 178 H 0.15 0.05 0.07 -0.55 8.24 7.96 2r9cA1 VAL 178 HA -0.06 0.22 0.26 -0.75 4.13 3.80 2r9cA1 VAL 178 HB -0.07 -0.11 0.02 -0.04 2.12 1.92 2r9cA1 VAL 178 HG13 -0.12 -0.00 -0.27 -0.04 0.97 0.54 2r9cA1 VAL 178 HG23 -0.23 0.03 -0.18 -0.04 0.95 0.52 2r9cA1 HIS 179 H -0.49 0.59 0.29 -0.55 8.41 8.26 2r9cA1 HIS 179 HA -0.20 0.02 0.66 -0.75 4.63 4.35 2r9cA1 HIS 179 HB2 -0.16 0.01 0.08 -0.04 3.26 3.15 2r9cA1 HIS 179 HB3 -0.12 0.03 -0.16 -0.04 3.20 2.92 2r9cA1 HIS 179 HD2 -0.10 0.10 -0.28 -0.04 6.97 6.65 2r9cA1 HIS 179 HE1 -0.08 0.09 -0.23 -0.04 7.75 7.49 2r9cA1 SER 180 H -0.20 0.20 0.18 -0.55 8.46 8.09 2r9cA1 SER 180 HA -0.21 0.15 0.68 -0.75 4.49 4.36 2r9cA1 SER 180 HB2 -0.30 -0.04 0.17 -0.04 3.95 3.73 2r9cA1 SER 180 HB3 -0.21 0.30 0.24 -0.04 3.93 4.22 2r9cA1 ALA 181 H -0.07 0.42 0.20 -0.55 8.40 8.40 2r9cA1 ALA 181 HA 0.00 0.12 0.57 -0.75 4.34 4.28 2r9cA1 ALA 181 HB3 -0.01 0.01 0.09 -0.04 1.41 1.45 2r9cA1 GLN 182 H -0.05 0.04 -0.23 -0.55 8.47 7.69 2r9cA1 GLN 182 HA -0.02 0.11 0.68 -0.75 4.36 4.37 2r9cA1 GLN 182 HB2 0.00 0.07 0.03 -0.04 2.15 2.21 2r9cA1 GLN 182 HB3 -0.02 -0.04 0.14 -0.04 2.02 2.06 2r9cA1 GLN 182 HG2 0.02 0.00 -0.05 -0.04 2.40 2.33 2r9cA1 GLN 182 HG3 -0.02 -0.18 -0.15 -0.04 2.39 2.01 2r9cA1 GLN 182 HE21 0.01 0.05 -0.02 -0.04 6.97 6.98 2r9cA1 GLN 182 HE22 0.01 -0.05 -0.06 -0.04 7.69 7.55 2r9cA1 GLY 183 H -0.04 0.21 0.06 -0.55 8.43 8.11 2r9cA1 GLY 183 HA2 -0.12 0.18 0.20 -0.51 4.01 3.76 2r9cA1 GLY 183 HA3 -0.07 0.05 0.29 -0.51 4.01 3.78 2r9cA1 ASN 184 H -0.08 -0.01 -0.53 -0.55 8.53 7.37 2r9cA1 ASN 184 HA -0.01 0.27 0.93 -0.75 4.76 5.19 2r9cA1 ASN 184 HB2 0.09 0.05 0.13 -0.04 2.88 3.11 2r9cA1 ASN 184 HB3 0.03 -0.01 -0.06 -0.04 2.79 2.72 2r9cA1 ASN 184 HD21 0.06 -0.06 -0.07 -0.04 7.03 6.92 2r9cA1 ASN 184 HD22 0.06 0.24 0.02 -0.04 7.74 8.02 2r9cA1 GLU 185 H -0.34 0.51 -0.13 -0.55 8.60 8.09 2r9cA1 GLU 185 HA 0.04 0.29 0.79 -0.75 4.29 4.64 2r9cA1 GLU 185 HB2 -0.00 -0.08 -0.01 -0.04 2.09 1.96 2r9cA1 GLU 185 HB3 -0.14 0.12 0.21 -0.04 1.99 2.13 2r9cA1 GLU 185 HG2 -0.04 -0.10 -0.13 -0.04 2.34 2.02 2r9cA1 GLU 185 HG3 0.21 0.06 -0.04 -0.04 2.34 2.53 2r9cA1 PHE 186 H 0.23 0.44 0.40 -0.55 8.34 8.86 2r9cA1 PHE 186 HA -0.06 0.19 0.99 -0.75 4.62 4.99 2r9cA1 PHE 186 HB2 0.37 0.04 -0.02 -0.04 3.15 3.49 2r9cA1 PHE 186 HB3 0.17 -0.04 0.05 -0.04 3.06 3.20 2r9cA1 PHE 186 HD2 -0.03 0.04 -0.07 -0.04 7.28 7.18 2r9cA1 PHE 186 HE2 -0.08 0.01 -0.06 -0.04 7.38 7.21 2r9cA1 PHE 186 HZ -0.07 0.08 -0.01 -0.04 7.32 7.28 2r9cA1 TRP 187 H -0.01 0.49 0.27 -0.55 7.97 8.17 2r9cA1 TRP 187 HA -0.52 0.05 0.31 -0.75 4.62 3.70 2r9cA1 TRP 187 HB2 -0.70 0.05 0.03 -0.04 3.23 2.56 2r9cA1 TRP 187 HB3 -1.31 0.10 0.05 -0.04 3.23 2.02 2r9cA1 TRP 187 HD1 -0.20 0.13 0.23 -0.04 7.22 7.34 2r9cA1 TRP 187 HE1 -0.11 0.02 0.12 -0.04 10.20 10.19 2r9cA1 TRP 187 HE3 -0.10 -0.01 -0.30 -0.04 7.59 7.14 2r9cA1 TRP 187 HZ2 -0.12 0.08 -0.11 -0.04 7.44 7.24 2r9cA1 TRP 187 HZ3 -0.20 0.04 -0.13 -0.04 7.13 6.81 2r9cA1 TRP 187 HH2 -0.17 0.06 -0.21 -0.04 7.19 6.83 2r9cA1 SER 188 H -1.34 0.14 -0.23 -0.55 8.46 6.49 2r9cA1 SER 188 HA -0.90 0.10 0.31 -0.75 4.49 3.24 2r9cA1 SER 188 HB2 -0.82 -0.04 -0.08 -0.04 3.95 2.97 2r9cA1 SER 188 HB3 -2.24 -0.00 -0.07 -0.04 3.93 1.57 2r9cA1 ALA 189 H -0.29 0.14 -0.25 -0.55 8.40 7.45 2r9cA1 ALA 189 HA -0.03 0.02 0.41 -0.75 4.34 3.99 2r9cA1 ALA 189 HB3 0.11 0.06 0.08 -0.04 1.41 1.61 2r9cA1 LEU 190 H 0.06 0.49 -0.23 -0.55 8.37 8.15 2r9cA1 LEU 190 HA 0.24 0.07 0.38 -0.75 4.35 4.29 2r9cA1 LEU 190 HB2 0.47 0.07 0.05 -0.04 1.64 2.19 2r9cA1 LEU 190 HB3 0.63 -0.03 -0.09 -0.04 1.64 2.11 2r9cA1 LEU 190 HG 0.26 0.01 -0.06 -0.04 1.64 1.81 2r9cA1 LEU 190 HD13 -0.19 -0.03 -0.18 -0.04 0.93 0.48 2r9cA1 LEU 190 HD23 0.34 0.00 -0.13 -0.04 0.89 1.06 2r9cA1 LEU 191 H -0.26 0.54 -0.11 -0.55 8.37 8.00 2r9cA1 LEU 191 HA -1.33 0.06 0.38 -0.75 4.35 2.71 2r9cA1 LEU 191 HB2 -0.51 0.05 0.04 -0.04 1.64 1.18 2r9cA1 LEU 191 HB3 -0.27 0.01 0.10 -0.04 1.64 1.44 2r9cA1 LEU 191 HG -0.12 -0.05 -0.31 -0.04 1.64 1.12 2r9cA1 LEU 191 HD13 -0.06 0.01 -0.04 -0.04 0.93 0.80 2r9cA1 LEU 191 HD23 -0.06 -0.00 -0.08 -0.04 0.89 0.71 2r9cA1 GLU 192 H -0.17 0.65 -0.14 -0.55 8.60 8.40 2r9cA1 GLU 192 HA -0.08 -0.02 0.42 -0.75 4.29 3.86 2r9cA1 GLU 192 HB2 -0.11 0.01 0.09 -0.04 2.09 2.04 2r9cA1 GLU 192 HB3 0.04 0.15 0.12 -0.04 1.99 2.26 2r9cA1 GLU 192 HG2 0.08 0.02 -0.12 -0.04 2.34 2.28 2r9cA1 GLU 192 HG3 -0.09 -0.05 0.01 -0.04 2.34 2.17 2r9cA1 LYS 193 H 0.07 0.47 -0.36 -0.55 8.42 8.05 2r9cA1 LYS 193 HA -0.07 -0.03 0.37 -0.75 4.32 3.84 2r9cA1 LYS 193 HB2 0.39 0.03 0.09 -0.04 1.87 2.34 2r9cA1 LYS 193 HB3 0.28 0.14 0.10 -0.04 1.79 2.27 2r9cA1 LYS 193 HG2 0.45 -0.04 -0.17 -0.04 1.46 1.66 2r9cA1 LYS 193 HG3 0.62 -0.07 0.03 -0.04 1.46 2.00 2r9cA1 LYS 193 HD2 0.55 0.03 -0.02 -0.04 1.69 2.21 2r9cA1 LYS 193 HD3 0.46 0.04 -0.02 -0.04 1.68 2.12 2r9cA1 LYS 193 HE2 0.62 -0.08 0.00 -0.04 2.99 3.50 2r9cA1 LYS 193 HE3 0.72 -0.07 -0.03 -0.04 2.99 3.58 2r9cA1 ALA 194 H -0.01 0.52 -0.18 -0.55 8.40 8.19 2r9cA1 ALA 194 HA 0.05 0.04 0.33 -0.75 4.34 3.99 2r9cA1 ALA 194 HB3 0.14 0.02 -0.02 -0.04 1.41 1.51 2r9cA1 TYR 195 H 0.04 0.51 -0.27 -0.55 8.29 8.02 2r9cA1 TYR 195 HA -0.12 0.04 0.38 -0.75 4.56 4.10 2r9cA1 TYR 195 HB2 -0.04 0.09 0.03 -0.04 3.06 3.10 2r9cA1 TYR 195 HB3 -0.13 0.03 0.07 -0.04 2.98 2.91 2r9cA1 TYR 195 HD2 -0.08 0.05 -0.17 -0.04 7.15 6.91 2r9cA1 TYR 195 HE2 -0.10 0.01 -0.06 -0.04 6.85 6.65 2r9cA1 ALA 196 H -0.13 0.60 -0.15 -0.55 8.40 8.17 2r9cA1 ALA 196 HA -0.11 0.02 0.31 -0.75 4.34 3.81 2r9cA1 ALA 196 HB3 -0.48 0.01 -0.10 -0.04 1.41 0.80 2r9cA1 LYS 197 H -0.52 0.52 -0.30 -0.55 8.42 7.57 2r9cA1 LYS 197 HA -1.79 0.02 0.23 -0.75 4.32 2.03 2r9cA1 LYS 197 HB2 -0.97 0.01 0.08 -0.04 1.87 0.95 2r9cA1 LYS 197 HB3 -0.32 0.16 0.16 -0.04 1.79 1.74 2r9cA1 LYS 197 HG2 0.03 -0.03 -0.29 -0.04 1.46 1.14 2r9cA1 LYS 197 HG3 -0.23 0.03 -0.03 -0.04 1.46 1.19 2r9cA1 LYS 197 HD2 0.17 -0.04 0.00 -0.04 1.69 1.78 2r9cA1 LYS 197 HD3 0.14 0.03 -0.00 -0.04 1.68 1.81 2r9cA1 LYS 197 HE2 0.38 -0.05 -0.07 -0.04 2.99 3.20 2r9cA1 LYS 197 HE3 0.23 0.00 -0.21 -0.04 2.99 2.97 2r9cA1 VAL 198 H -0.33 0.46 -0.19 -0.55 8.24 7.63 2r9cA1 VAL 198 HA -0.19 0.03 0.33 -0.75 4.13 3.55 2r9cA1 VAL 198 HB -0.49 -0.08 0.05 -0.04 2.12 1.55 2r9cA1 VAL 198 HG13 -0.65 0.03 -0.01 -0.04 0.97 0.30 2r9cA1 VAL 198 HG23 -0.54 0.02 -0.03 -0.04 0.95 0.36 2r9cA1 ASN 199 H -0.24 0.33 -0.51 -0.55 8.53 7.56 2r9cA1 ASN 199 HA -0.08 0.12 0.89 -0.75 4.76 4.93 2r9cA1 ASN 199 HB2 -0.06 0.12 0.06 -0.04 2.88 2.95 2r9cA1 ASN 199 HB3 0.02 -0.09 0.07 -0.04 2.79 2.75 2r9cA1 ASN 199 HD21 -0.75 -0.13 -0.08 -0.04 7.03 6.03 2r9cA1 ASN 199 HD22 -0.51 0.52 0.00 -0.04 7.74 7.71 2r9cA1 GLY 200 H -0.07 0.42 -0.22 -0.55 8.43 8.02 2r9cA1 GLY 200 HA2 0.12 0.04 0.33 -0.51 4.01 3.99 2r9cA1 GLY 200 HA3 0.09 0.04 0.57 -0.51 4.01 4.21 2r9cA1 SER 201 H 0.14 0.33 -0.18 -0.55 8.46 8.20 2r9cA1 SER 201 HA 0.53 0.28 0.42 -0.75 4.49 4.97 2r9cA1 SER 201 HB2 0.33 -0.04 -0.56 -0.04 3.95 3.64 2r9cA1 SER 201 HB3 0.32 0.32 -0.23 -0.04 3.93 4.30 2r9cA1 TYR 202 H 0.44 0.59 0.24 -0.55 8.29 9.01 2r9cA1 TYR 202 HA 0.01 0.05 0.62 -0.75 4.56 4.48 2r9cA1 TYR 202 HB2 -0.08 0.19 0.32 -0.04 3.06 3.44 2r9cA1 TYR 202 HB3 -0.57 -0.11 0.02 -0.04 2.98 2.29 2r9cA1 TYR 202 HD2 -0.11 0.04 0.03 -0.04 7.15 7.07 2r9cA1 TYR 202 HE2 0.21 -0.01 -0.07 -0.04 6.85 6.94 2r9cA1 GLU 203 H 0.20 0.58 0.06 -0.55 8.60 8.90 2r9cA1 GLU 203 HA 0.04 -0.01 0.34 -0.75 4.29 3.91 2r9cA1 GLU 203 HB2 -0.07 0.07 0.22 -0.04 2.09 2.28 2r9cA1 GLU 203 HB3 -0.00 0.03 0.11 -0.04 1.99 2.09 2r9cA1 GLU 203 HG2 -0.23 0.16 -0.01 -0.04 2.34 2.22 2r9cA1 GLU 203 HG3 -0.13 0.04 0.13 -0.04 2.34 2.33 2r9cA1 ALA 204 H 0.28 0.17 -0.49 -0.55 8.40 7.81 2r9cA1 ALA 204 HA 0.28 0.01 0.37 -0.75 4.34 4.24 2r9cA1 ALA 204 HB3 0.15 0.05 0.04 -0.04 1.41 1.61 2r9cA1 LEU 205 H 0.18 0.47 -0.49 -0.55 8.37 7.98 2r9cA1 LEU 205 HA 0.53 0.11 0.53 -0.75 4.35 4.76 2r9cA1 LEU 205 HB2 0.08 0.09 0.01 -0.04 1.64 1.78 2r9cA1 LEU 205 HB3 0.05 -0.20 0.03 -0.04 1.64 1.49 2r9cA1 LEU 205 HG 0.10 0.19 0.06 -0.04 1.64 1.94 2r9cA1 LEU 205 HD13 -0.03 -0.04 -0.06 -0.04 0.93 0.76 2r9cA1 LEU 205 HD23 0.32 0.02 -0.19 -0.04 0.89 0.99 2r9cA1 SER 206 H 0.19 0.57 -0.29 -0.55 8.46 8.39 2r9cA1 SER 206 HA 0.23 -0.14 0.31 -0.75 4.49 4.15 2r9cA1 SER 206 HB2 0.10 0.19 0.25 -0.04 3.95 4.45 2r9cA1 SER 206 HB3 0.10 -0.03 0.12 -0.04 3.93 4.08 2r9cA1 GLY 207 H 0.35 0.52 0.35 -0.55 8.43 9.11 2r9cA1 GLY 207 HA2 0.07 -0.10 0.50 -0.51 4.01 3.98 2r9cA1 GLY 207 HA3 0.02 0.11 0.62 -0.51 4.01 4.26 2r9cA1 GLY 208 H -0.31 0.16 0.23 -0.55 8.43 7.97 2r9cA1 GLY 208 HA2 -0.84 0.18 0.47 -0.51 4.01 3.31 2r9cA1 GLY 208 HA3 -2.74 0.07 0.27 -0.51 4.01 1.09 2r9cA1 CYS 209 H -1.20 0.28 0.10 -0.55 8.50 7.13 2r9cA1 CYS 209 HA -0.25 0.19 0.83 -0.75 4.58 4.59 2r9cA1 CYS 209 HB2 -0.30 0.00 -0.06 -0.04 2.97 2.56 2r9cA1 CYS 209 HB3 -0.32 0.00 0.12 -0.04 2.97 2.73 2r9cA1 THR 210 H -0.08 0.24 0.11 -0.55 8.28 8.00 2r9cA1 THR 210 HA 0.01 0.17 0.29 -0.75 4.39 4.11 2r9cA1 THR 210 HB -0.27 -0.02 0.03 -0.04 4.32 4.02 2r9cA1 THR 210 HG23 -0.73 0.07 -0.09 -0.04 1.22 0.43 2r9cA1 SER 211 H -0.17 0.09 -0.23 -0.55 8.46 7.61 2r9cA1 SER 211 HA -0.06 0.10 0.26 -0.75 4.49 4.04 2r9cA1 SER 211 HB2 -0.04 -0.03 -0.05 -0.04 3.95 3.79 2r9cA1 SER 211 HB3 0.06 0.09 -0.12 -0.04 3.93 3.92 2r9cA1 GLU 212 H -0.09 0.17 -0.38 -0.55 8.60 7.76 2r9cA1 GLU 212 HA 0.01 0.00 0.54 -0.75 4.29 4.09 2r9cA1 GLU 212 HB2 -0.13 0.00 0.13 -0.04 2.09 2.05 2r9cA1 GLU 212 HB3 -0.03 0.00 0.04 -0.04 1.99 1.96 2r9cA1 GLU 212 HG2 -0.07 0.03 -0.01 -0.04 2.34 2.25 2r9cA1 GLU 212 HG3 -0.15 -0.12 0.01 -0.04 2.34 2.04 2r9cA1 ALA 213 H 0.17 0.31 -0.11 -0.55 8.40 8.23 2r9cA1 ALA 213 HA -0.10 0.10 0.47 -0.75 4.34 4.06 2r9cA1 ALA 213 HB3 -0.11 0.04 0.06 -0.04 1.41 1.35 2r9cA1 PHE 214 H 0.02 0.44 -0.15 -0.55 8.34 8.10 2r9cA1 PHE 214 HA 0.17 0.08 0.28 -0.75 4.62 4.39 2r9cA1 PHE 214 HB2 0.06 0.08 0.08 -0.04 3.15 3.33 2r9cA1 PHE 214 HB3 0.07 -0.01 -0.15 -0.04 3.06 2.93 2r9cA1 PHE 214 HD2 0.12 -0.01 -0.17 -0.04 7.28 7.18 2r9cA1 PHE 214 HE2 0.07 0.03 -0.24 -0.04 7.38 7.20 2r9cA1 PHE 214 HZ 0.04 0.03 -0.65 -0.04 7.32 6.70 2r9cA1 GLU 215 H 0.17 0.53 -0.19 -0.55 8.60 8.56 2r9cA1 GLU 215 HA 0.08 -0.04 0.45 -0.75 4.29 4.02 2r9cA1 GLU 215 HB2 0.09 0.09 0.19 -0.04 2.09 2.41 2r9cA1 GLU 215 HB3 0.14 -0.01 0.02 -0.04 1.99 2.11 2r9cA1 GLU 215 HG2 0.08 0.14 0.01 -0.04 2.34 2.52 2r9cA1 GLU 215 HG3 0.13 -0.00 0.02 -0.04 2.34 2.44 2r9cA1 ASP 216 H 0.01 0.48 -0.14 -0.55 8.40 8.20 2r9cA1 ASP 216 HA 0.05 0.22 0.51 -0.75 4.63 4.65 2r9cA1 ASP 216 HB2 -0.15 0.02 0.17 -0.04 2.71 2.71 2r9cA1 ASP 216 HB3 -0.08 -0.04 0.13 -0.04 2.70 2.67 2r9cA1 PHE 217 H 0.06 0.34 -0.49 -0.55 8.34 7.70 2r9cA1 PHE 217 HA 0.28 0.18 0.95 -0.75 4.62 5.27 2r9cA1 PHE 217 HB2 0.17 0.05 0.04 -0.04 3.15 3.37 2r9cA1 PHE 217 HB3 0.17 -0.03 0.11 -0.04 3.06 3.27 2r9cA1 PHE 217 HD2 0.18 0.04 -0.10 -0.04 7.28 7.36 2r9cA1 PHE 217 HE2 0.03 -0.04 -0.14 -0.04 7.38 7.19 2r9cA1 PHE 217 HZ -0.26 -0.06 -0.09 -0.04 7.32 6.86 2r9cA1 THR 218 H 0.15 0.26 -0.11 -0.55 8.28 8.03 2r9cA1 THR 218 HA 0.46 0.26 1.08 -0.75 4.39 5.44 2r9cA1 THR 218 HB 0.07 -0.07 -0.02 -0.04 4.32 4.26 2r9cA1 THR 218 HG23 0.14 0.01 -0.21 -0.04 1.22 1.12 2r9cA1 GLY 219 H -0.25 0.70 0.32 -0.55 8.43 8.65 2r9cA1 GLY 219 HA2 -1.44 0.01 0.35 -0.51 4.01 2.42 2r9cA1 GLY 219 HA3 -1.64 0.04 0.54 -0.51 4.01 2.45 2r9cA1 GLY 220 H -0.11 -0.05 -0.36 -0.55 8.43 7.37 2r9cA1 GLY 220 HA2 -0.10 0.12 0.50 -0.51 4.01 4.02 2r9cA1 GLY 220 HA3 -0.05 0.04 0.16 -0.51 4.01 3.65 2r9cA1 VAL 221 H -0.02 0.65 0.26 -0.55 8.24 8.58 2r9cA1 VAL 221 HA 0.01 0.13 0.81 -0.75 4.13 4.33 2r9cA1 VAL 221 HB 0.00 -0.00 0.17 -0.04 2.12 2.25 2r9cA1 VAL 221 HG13 0.02 -0.01 -0.14 -0.04 0.97 0.80 2r9cA1 VAL 221 HG23 -0.01 0.01 -0.03 -0.04 0.95 0.88 2r9cA1 THR 222 H 0.06 0.17 0.18 -0.55 8.28 8.14 2r9cA1 THR 222 HA 0.11 0.36 1.13 -0.75 4.39 5.24 2r9cA1 THR 222 HB 0.17 -0.04 -0.05 -0.04 4.32 4.36 2r9cA1 THR 222 HG23 0.20 0.01 -0.15 -0.04 1.22 1.24 2r9cA1 GLU 223 H 0.13 0.68 0.46 -0.55 8.60 9.32 2r9cA1 GLU 223 HA 0.07 0.14 0.78 -0.75 4.29 4.52 2r9cA1 GLU 223 HB2 -0.22 0.02 0.11 -0.04 2.09 1.96 2r9cA1 GLU 223 HB3 -0.03 0.05 -0.06 -0.04 1.99 1.91 2r9cA1 GLU 223 HG2 0.11 0.13 0.13 -0.04 2.34 2.67 2r9cA1 GLU 223 HG3 0.03 -0.05 -0.23 -0.04 2.34 2.05 2r9cA1 TRP 224 H -0.17 0.27 0.24 -0.55 7.97 7.76 2r9cA1 TRP 224 HA 0.07 0.29 1.09 -0.75 4.62 5.32 2r9cA1 TRP 224 HB2 0.05 0.02 0.10 -0.04 3.23 3.36 2r9cA1 TRP 224 HB3 0.02 -0.06 -0.14 -0.04 3.23 3.00 2r9cA1 TRP 224 HD1 -0.04 -0.01 -0.03 -0.04 7.22 7.10 2r9cA1 TRP 224 HE1 -0.03 0.03 -0.03 -0.04 10.20 10.13 2r9cA1 TRP 224 HE3 0.04 0.06 -0.21 -0.04 7.59 7.45 2r9cA1 TRP 224 HZ2 -0.02 0.03 -0.04 -0.04 7.44 7.37 2r9cA1 TRP 224 HZ3 0.02 0.02 -0.08 -0.04 7.13 7.05 2r9cA1 TRP 224 HH2 -0.00 0.02 -0.04 -0.04 7.19 7.13 2r9cA1 TYR 225 H 0.43 0.59 0.39 -0.55 8.29 9.15 2r9cA1 TYR 225 HA -0.38 0.18 0.92 -0.75 4.56 4.53 2r9cA1 TYR 225 HB2 0.08 -0.07 0.05 -0.04 3.06 3.08 2r9cA1 TYR 225 HB3 -0.02 0.06 -0.08 -0.04 2.98 2.89 2r9cA1 TYR 225 HD2 0.01 0.04 -0.11 -0.04 7.15 7.06 2r9cA1 TYR 225 HE2 -0.00 0.00 -0.12 -0.04 6.85 6.69 2r9cA1 ASP 226 H -0.32 0.23 0.10 -0.55 8.40 7.86 2r9cA1 ASP 226 HA 0.29 0.22 0.86 -0.75 4.63 5.25 2r9cA1 ASP 226 HB2 -0.12 0.03 0.11 -0.04 2.71 2.69 2r9cA1 ASP 226 HB3 -0.08 0.04 0.18 -0.04 2.70 2.79 2r9cA1 LEU 227 H 0.11 0.69 0.18 -0.55 8.37 8.81 2r9cA1 LEU 227 HA 0.03 -0.01 0.02 -0.75 4.35 3.63 2r9cA1 LEU 227 HB2 -0.07 0.18 -0.08 -0.04 1.64 1.64 2r9cA1 LEU 227 HB3 -0.16 0.04 0.03 -0.04 1.64 1.51 2r9cA1 LEU 227 HG 0.07 -0.01 -0.40 -0.04 1.64 1.26 2r9cA1 LEU 227 HD13 -0.39 -0.03 -0.44 -0.04 0.93 0.03 2r9cA1 LEU 227 HD23 0.09 -0.03 -0.21 -0.04 0.89 0.71 2r9cA1 GLN 228 H 0.03 0.04 -0.23 -0.55 8.47 7.77 2r9cA1 GLN 228 HA -0.01 0.20 0.67 -0.75 4.36 4.46 2r9cA1 GLN 228 HB2 0.03 -0.07 0.09 -0.04 2.15 2.16 2r9cA1 GLN 228 HB3 0.01 -0.00 0.12 -0.04 2.02 2.11 2r9cA1 GLN 228 HG2 -0.00 -0.04 0.06 -0.04 2.40 2.37 2r9cA1 GLN 228 HG3 -0.02 0.07 0.08 -0.04 2.39 2.48 2r9cA1 GLN 228 HE21 -0.08 0.53 0.03 -0.04 6.97 7.41 2r9cA1 GLN 228 HE22 -0.06 0.12 0.05 -0.04 7.69 7.76 2r9cA1 LYS 229 H 0.02 0.43 -0.45 -0.55 8.42 7.86 2r9cA1 LYS 229 HA 0.01 0.18 0.71 -0.75 4.32 4.47 2r9cA1 LYS 229 HB2 -0.02 -0.04 0.12 -0.04 1.87 1.89 2r9cA1 LYS 229 HB3 -0.01 -0.02 0.16 -0.04 1.79 1.88 2r9cA1 LYS 229 HG2 0.01 0.07 -0.05 -0.04 1.46 1.44 2r9cA1 LYS 229 HG3 0.01 -0.11 -0.45 -0.04 1.46 0.88 2r9cA1 LYS 229 HD2 -0.00 -0.05 -0.01 -0.04 1.69 1.58 2r9cA1 LYS 229 HD3 -0.01 0.00 0.01 -0.04 1.68 1.64 2r9cA1 LYS 229 HE2 0.01 0.02 -0.02 -0.04 2.99 2.96 2r9cA1 LYS 229 HE3 0.02 -0.00 -0.05 -0.04 2.99 2.92 2r9cA1 ALA 230 H 0.02 0.24 -0.24 -0.55 8.40 7.88 2r9cA1 ALA 230 HA 0.08 0.03 0.29 -0.75 4.34 3.98 2r9cA1 ALA 230 HB3 0.06 -0.00 0.05 -0.04 1.41 1.47 2r9cA1 PRO 231 HA 0.04 0.14 0.63 -0.51 4.44 4.75 2r9cA1 PRO 231 HB2 0.04 -0.17 -0.03 -0.04 2.28 2.09 2r9cA1 PRO 231 HB3 0.06 0.12 0.13 -0.04 2.02 2.28 2r9cA1 PRO 231 HG2 0.02 -0.10 0.02 -0.04 2.03 1.92 2r9cA1 PRO 231 HG3 0.18 0.10 0.05 -0.04 2.03 2.32 2r9cA1 PRO 231 HD2 0.11 0.02 0.19 -0.04 3.68 3.96 2r9cA1 PRO 231 HD3 0.15 0.23 0.19 -0.04 3.65 4.18 2r9cA1 SER 232 H 0.03 0.18 0.15 -0.55 8.46 8.28 2r9cA1 SER 232 HA 0.06 0.14 0.33 -0.75 4.49 4.27 2r9cA1 SER 232 HB2 0.03 0.02 0.09 -0.04 3.95 4.04 2r9cA1 SER 232 HB3 0.03 0.07 0.12 -0.04 3.93 4.11 2r9cA1 ASP 233 H 0.03 0.09 -0.35 -0.55 8.40 7.62 2r9cA1 ASP 233 HA 0.01 0.20 0.82 -0.75 4.63 4.92 2r9cA1 ASP 233 HB2 -0.01 -0.02 0.13 -0.04 2.71 2.76 2r9cA1 ASP 233 HB3 0.00 0.06 -0.01 -0.04 2.70 2.72 2r9cA1 LEU 234 H 0.06 0.56 -0.42 -0.55 8.37 8.02 2r9cA1 LEU 234 HA -0.11 0.04 0.24 -0.75 4.35 3.77 2r9cA1 LEU 234 HB2 0.05 0.13 0.07 -0.04 1.64 1.85 2r9cA1 LEU 234 HB3 0.30 0.03 0.01 -0.04 1.64 1.93 2r9cA1 LEU 234 HG 0.11 -0.04 -0.20 -0.04 1.64 1.46 2r9cA1 LEU 234 HD13 -0.63 -0.01 -0.02 -0.04 0.93 0.23 2r9cA1 LEU 234 HD23 0.16 0.01 -0.09 -0.04 0.89 0.93 2r9cA1 TYR 235 H -0.07 0.19 -0.24 -0.55 8.29 7.62 2r9cA1 TYR 235 HA -0.70 0.08 0.38 -0.75 4.56 3.58 2r9cA1 TYR 235 HB2 -1.18 0.01 0.04 -0.04 3.06 1.90 2r9cA1 TYR 235 HB3 -0.38 0.03 0.01 -0.04 2.98 2.60 2r9cA1 TYR 235 HD2 -0.89 0.01 -0.11 -0.04 7.15 6.12 2r9cA1 TYR 235 HE2 -0.17 0.07 -0.14 -0.04 6.85 6.57 2r9cA1 GLN 236 H -0.08 0.16 -0.28 -0.55 8.47 7.73 2r9cA1 GLN 236 HA -0.18 0.05 0.49 -0.75 4.36 3.96 2r9cA1 GLN 236 HB2 -0.06 0.13 0.09 -0.04 2.15 2.27 2r9cA1 GLN 236 HB3 -0.07 0.03 -0.00 -0.04 2.02 1.94 2r9cA1 GLN 236 HG2 -0.00 -0.07 0.01 -0.04 2.40 2.29 2r9cA1 GLN 236 HG3 -0.02 0.04 0.01 -0.04 2.39 2.38 2r9cA1 GLN 236 HE21 -0.05 0.03 -0.01 -0.04 6.97 6.90 2r9cA1 GLN 236 HE22 -0.06 0.02 0.02 -0.04 7.69 7.63 2r9cA1 ILE 237 H -0.13 0.44 -0.18 -0.55 8.25 7.83 2r9cA1 ILE 237 HA -0.09 0.04 0.43 -0.75 4.18 3.81 2r9cA1 ILE 237 HB -0.20 0.10 0.12 -0.04 1.89 1.87 2r9cA1 ILE 237 HG12 -0.02 0.01 -0.03 -0.04 1.49 1.41 2r9cA1 ILE 237 HG13 -0.06 0.04 -0.05 -0.04 1.21 1.11 2r9cA1 ILE 237 HG23 -0.12 -0.00 -0.19 -0.04 0.93 0.58 2r9cA1 ILE 237 HD13 -0.01 -0.03 -0.15 -0.04 0.88 0.65 2r9cA1 ILE 238 H -0.26 0.53 -0.17 -0.55 8.25 7.80 2r9cA1 ILE 238 HA -0.17 0.03 0.38 -0.75 4.18 3.67 2r9cA1 ILE 238 HB -0.46 0.10 0.14 -0.04 1.89 1.63 2r9cA1 ILE 238 HG12 -0.12 -0.02 -0.06 -0.04 1.49 1.25 2r9cA1 ILE 238 HG13 -0.18 0.04 -0.03 -0.04 1.21 1.01 2r9cA1 ILE 238 HG23 -0.28 -0.01 -0.18 -0.04 0.93 0.42 2r9cA1 ILE 238 HD13 0.04 -0.03 -0.14 -0.04 0.88 0.71 2r9cA1 LEU 239 H -0.41 0.55 -0.07 -0.55 8.37 7.88 2r9cA1 LEU 239 HA -0.27 0.03 0.40 -0.75 4.35 3.76 2r9cA1 LEU 239 HB2 -0.24 0.07 0.18 -0.04 1.64 1.61 2r9cA1 LEU 239 HB3 -0.17 -0.01 -0.02 -0.04 1.64 1.40 2r9cA1 LEU 239 HG -0.84 0.14 0.05 -0.04 1.64 0.95 2r9cA1 LEU 239 HD13 -0.13 -0.04 -0.07 -0.04 0.93 0.66 2r9cA1 LEU 239 HD23 -0.27 -0.02 -0.03 -0.04 0.89 0.52 2r9cA1 LYS 240 H -0.15 0.55 -0.21 -0.55 8.42 8.06 2r9cA1 LYS 240 HA -0.08 0.02 0.40 -0.75 4.32 3.90 2r9cA1 LYS 240 HB2 -0.07 0.01 0.11 -0.04 1.87 1.87 2r9cA1 LYS 240 HB3 -0.08 0.09 0.13 -0.04 1.79 1.89 2r9cA1 LYS 240 HG2 -0.05 0.01 -0.18 -0.04 1.46 1.21 2r9cA1 LYS 240 HG3 -0.05 -0.02 0.03 -0.04 1.46 1.38 2r9cA1 LYS 240 HD2 -0.04 -0.02 -0.02 -0.04 1.69 1.57 2r9cA1 LYS 240 HD3 -0.03 -0.01 -0.03 -0.04 1.68 1.56 2r9cA1 LYS 240 HE2 -0.03 0.03 -0.03 -0.04 2.99 2.91 2r9cA1 LYS 240 HE3 -0.03 -0.01 -0.02 -0.04 2.99 2.90 2r9cA1 ALA 241 H -0.10 0.51 -0.17 -0.55 8.40 8.08 2r9cA1 ALA 241 HA -0.06 -0.00 0.36 -0.75 4.34 3.89 2r9cA1 ALA 241 HB3 -0.07 -0.00 0.01 -0.04 1.41 1.30 2r9cA1 LEU 242 H -0.12 0.63 -0.13 -0.55 8.37 8.20 2r9cA1 LEU 242 HA -0.10 0.11 0.43 -0.75 4.35 4.03 2r9cA1 LEU 242 HB2 -0.13 0.09 0.13 -0.04 1.64 1.69 2r9cA1 LEU 242 HB3 -0.10 -0.01 -0.03 -0.04 1.64 1.46 2r9cA1 LEU 242 HG -0.14 -0.00 -0.05 -0.04 1.64 1.40 2r9cA1 LEU 242 HD13 -0.17 -0.05 -0.27 -0.04 0.93 0.40 2r9cA1 LEU 242 HD23 -0.12 0.03 -0.16 -0.04 0.89 0.60 2r9cA1 GLU 243 H -0.09 0.52 -0.15 -0.55 8.60 8.33 2r9cA1 GLU 243 HA -0.05 -0.00 0.37 -0.75 4.29 3.86 2r9cA1 GLU 243 HB2 -0.06 -0.07 0.12 -0.04 2.09 2.05 2r9cA1 GLU 243 HB3 -0.06 0.09 0.21 -0.04 1.99 2.19 2r9cA1 GLU 243 HG2 -0.04 -0.07 -0.02 -0.04 2.34 2.16 2r9cA1 GLU 243 HG3 -0.04 0.06 -0.39 -0.04 2.34 1.93 2r9cA1 ARG 244 H -0.06 0.44 -0.20 -0.55 8.46 8.09 2r9cA1 ARG 244 HA -0.04 0.09 0.61 -0.75 4.34 4.24 2r9cA1 ARG 244 HB2 -0.04 -0.01 0.13 -0.04 1.90 1.94 2r9cA1 ARG 244 HB3 -0.04 -0.05 0.08 -0.04 1.80 1.75 2r9cA1 ARG 244 HG2 -0.05 0.28 0.10 -0.04 1.67 1.95 2r9cA1 ARG 244 HG3 -0.05 -0.00 0.09 -0.04 1.67 1.66 2r9cA1 ARG 244 HD2 -0.04 -0.10 0.01 -0.04 3.22 3.05 2r9cA1 ARG 244 HD3 -0.03 0.05 -0.00 -0.04 3.22 3.20 2r9cA1 GLY 245 H -0.06 0.41 -0.41 -0.55 8.43 7.82 2r9cA1 GLY 245 HA2 -0.07 0.10 0.32 -0.51 4.01 3.86 2r9cA1 GLY 245 HA3 -0.05 -0.02 0.72 -0.51 4.01 4.15 2r9cA1 SER 246 H -0.07 0.29 -0.02 -0.55 8.46 8.11 2r9cA1 SER 246 HA -0.10 0.03 0.60 -0.75 4.49 4.27 2r9cA1 SER 246 HB2 -0.08 -0.05 -0.07 -0.04 3.95 3.70 2r9cA1 SER 246 HB3 -0.09 0.02 -0.06 -0.04 3.93 3.76 2r9cA1 LEU 247 H -0.28 0.43 0.28 -0.55 8.37 8.26 2r9cA1 LEU 247 HA -0.28 0.24 0.76 -0.75 4.35 4.32 2r9cA1 LEU 247 HB2 -1.21 -0.15 0.12 -0.04 1.64 0.35 2r9cA1 LEU 247 HB3 -1.07 -0.02 -0.02 -0.04 1.64 0.49 2r9cA1 LEU 247 HG -0.22 0.03 -0.03 -0.04 1.64 1.38 2r9cA1 LEU 247 HD13 0.01 -0.01 -0.05 -0.04 0.93 0.84 2r9cA1 LEU 247 HD23 -0.11 0.03 -0.32 -0.04 0.89 0.45 2r9cA1 LEU 248 H -0.13 0.33 0.24 -0.55 8.37 8.27 2r9cA1 LEU 248 HA 0.07 0.36 1.17 -0.75 4.35 5.20 2r9cA1 LEU 248 HB2 -0.06 0.14 0.12 -0.04 1.64 1.79 2r9cA1 LEU 248 HB3 0.00 -0.06 0.03 -0.04 1.64 1.57 2r9cA1 LEU 248 HG -0.03 0.02 -0.17 -0.04 1.64 1.42 2r9cA1 LEU 248 HD13 -0.11 -0.04 -0.50 -0.04 0.93 0.23 2r9cA1 LEU 248 HD23 -0.08 -0.02 -0.09 -0.04 0.89 0.66 2r9cA1 GLY 249 H 0.30 0.61 0.44 -0.55 8.43 9.23 2r9cA1 GLY 249 HA2 0.14 0.17 0.97 -0.51 4.01 4.78 2r9cA1 GLY 249 HA3 0.21 -0.04 0.37 -0.51 4.01 4.04 2r9cA1 CYS 250 H 0.11 0.60 0.39 -0.55 8.50 9.05 2r9cA1 CYS 250 HA 0.16 0.20 0.95 -0.75 4.58 5.13 2r9cA1 CYS 250 HB2 0.01 0.03 0.18 -0.04 2.97 3.14 2r9cA1 CYS 250 HB3 0.15 0.02 -0.04 -0.04 2.97 3.06 2r9cA1 SER 251 H 0.27 0.50 0.44 -0.55 8.46 9.12 2r9cA1 SER 251 HA 0.40 0.29 0.78 -0.75 4.49 5.20 2r9cA1 SER 251 HB2 0.12 -0.06 -0.00 -0.04 3.95 3.96 2r9cA1 SER 251 HB3 0.13 0.07 -0.23 -0.04 3.93 3.86 2r9cA1 ILE 252 H 0.08 0.25 0.26 -0.55 8.25 8.28 2r9cA1 ILE 252 HA -0.08 0.06 0.98 -0.75 4.18 4.38 2r9cA1 ILE 252 HB -0.12 -0.09 0.17 -0.04 1.89 1.81 2r9cA1 ILE 252 HG12 -0.89 0.15 -0.11 -0.04 1.49 0.60 2r9cA1 ILE 252 HG13 -0.67 -0.13 -0.15 -0.04 1.21 0.22 2r9cA1 ILE 252 HG23 -0.15 0.10 -0.02 -0.04 0.93 0.82 2r9cA1 ILE 252 HD13 -0.62 0.02 -0.20 -0.04 0.88 0.04 2r9cA1 ASN 253 H -0.02 0.16 0.14 -0.55 8.53 8.26 2r9cA1 ASN 253 HA -0.01 0.04 0.44 -0.75 4.76 4.47 2r9cA1 ASN 253 HB2 -0.01 -0.01 0.05 -0.04 2.88 2.87 2r9cA1 ASN 253 HB3 -0.01 0.03 0.06 -0.04 2.79 2.83 2r9cA1 ASN 253 HD21 -0.01 0.11 -0.18 -0.04 7.03 6.90 2r9cA1 ASN 253 HD22 -0.01 -0.03 -0.14 -0.04 7.74 7.52 2r9cA1 ILE 254 H -0.01 0.17 0.16 -0.55 8.25 8.02 2r9cA1 ILE 254 HA -0.01 0.10 0.84 -0.75 4.18 4.35 2r9cA1 ILE 254 HB -0.00 0.07 0.15 -0.04 1.89 2.07 2r9cA1 ILE 254 HG12 -0.01 0.03 -0.07 -0.04 1.49 1.40 2r9cA1 ILE 254 HG13 0.01 -0.09 -0.10 -0.04 1.21 0.99 2r9cA1 ILE 254 HG23 -0.01 0.05 -0.33 -0.04 0.93 0.60 2r9cA1 ILE 254 HD13 0.02 0.04 -0.09 -0.04 0.88 0.81 2r9cA1 SER 255 H -0.01 0.18 0.02 -0.55 8.46 8.11 2r9cA1 SER 255 HA -0.01 0.16 0.41 -0.75 4.49 4.30 2r9cA1 SER 255 HB2 -0.01 0.00 0.07 -0.04 3.95 3.97 2r9cA1 SER 255 HB3 -0.00 0.03 -0.06 -0.04 3.93 3.87 2r9cA1 ASP 256 H -0.01 -0.10 -0.14 -0.55 8.40 7.61 2r9cA1 ASP 256 HA -0.00 0.28 0.72 -0.75 4.63 4.87 2r9cA1 ASP 256 HB2 -0.00 0.00 0.06 -0.04 2.71 2.73 2r9cA1 ASP 256 HB3 -0.00 -0.33 0.14 -0.04 2.70 2.47 2r9cA1 ILE 257 H -0.01 -0.22 0.03 -0.55 8.25 7.50 2r9cA1 ILE 257 HA -0.00 0.19 0.12 -0.75 4.18 3.73 2r9cA1 ILE 257 HB -0.00 0.01 -0.04 -0.04 1.89 1.81 2r9cA1 ILE 257 HG12 0.00 0.12 -0.08 -0.04 1.49 1.49 2r9cA1 ILE 257 HG13 -0.00 -0.21 -0.35 -0.04 1.21 0.61 2r9cA1 ILE 257 HG23 -0.00 0.10 0.14 -0.04 0.93 1.13 2r9cA1 ILE 257 HD13 -0.00 -0.10 -0.07 -0.04 0.88 0.67 2r9cA1 ARG 258 H -0.00 0.20 -0.02 -0.55 8.46 8.08 2r9cA1 ARG 258 HA -0.01 0.04 -0.23 -0.75 4.34 3.38 2r9cA1 ARG 258 HB2 -0.00 -0.03 -0.06 -0.04 1.90 1.77 2r9cA1 ARG 258 HB3 0.01 0.16 0.26 -0.04 1.80 2.18 2r9cA1 ARG 258 HG2 0.00 0.04 -0.11 -0.04 1.67 1.56 2r9cA1 ARG 258 HG3 -0.00 -0.01 0.01 -0.04 1.67 1.63 2r9cA1 ARG 258 HD2 0.01 -0.07 0.02 -0.04 3.22 3.14 2r9cA1 ARG 258 HD3 0.02 0.05 0.03 -0.04 3.22 3.27 2r9cA1 ASP 259 H -0.01 -0.09 0.07 -0.55 8.40 7.82 2r9cA1 ASP 259 HA -0.01 0.13 0.16 -0.75 4.63 4.16 2r9cA1 ASP 259 HB2 -0.00 -0.14 0.13 -0.04 2.71 2.66 2r9cA1 ASP 259 HB3 -0.01 0.03 0.10 -0.04 2.70 2.78 2r9cA1 LEU 260 H -0.03 0.02 0.03 -0.55 8.37 7.84 2r9cA1 LEU 260 HA -0.09 0.11 0.54 -0.75 4.35 4.15 2r9cA1 LEU 260 HB2 -0.08 -0.03 0.08 -0.04 1.64 1.57 2r9cA1 LEU 260 HB3 -0.23 0.02 0.20 -0.04 1.64 1.59 2r9cA1 LEU 260 HG 0.01 -0.00 0.05 -0.04 1.64 1.66 2r9cA1 LEU 260 HD13 0.11 0.01 0.04 -0.04 0.93 1.05 2r9cA1 LEU 260 HD23 0.02 -0.01 0.00 -0.04 0.89 0.85 2r9cA1 GLU 261 H -0.05 0.53 -0.92 -0.55 8.60 7.61 2r9cA1 GLU 261 HA -0.04 0.10 0.29 -0.75 4.29 3.90 2r9cA1 GLU 261 HB2 -0.10 0.00 -0.10 -0.04 2.09 1.85 2r9cA1 GLU 261 HB3 -0.09 0.23 0.22 -0.04 1.99 2.31 2r9cA1 GLU 261 HG2 -0.02 -0.01 0.16 -0.04 2.34 2.43 2r9cA1 GLU 261 HG3 -0.03 0.04 0.07 -0.04 2.34 2.38 2r9cA1 ALA 262 H -0.00 0.13 0.12 -0.55 8.40 8.10 2r9cA1 ALA 262 HA 0.01 0.06 0.61 -0.75 4.34 4.26 2r9cA1 ALA 262 HB3 0.05 0.02 0.10 -0.04 1.41 1.54 2r9cA1 ILE 263 H -0.02 0.06 -0.07 -0.55 8.25 7.67 2r9cA1 ILE 263 HA 0.01 0.28 0.87 -0.75 4.18 4.59 2r9cA1 ILE 263 HB 0.01 -0.03 0.07 -0.04 1.89 1.91 2r9cA1 ILE 263 HG12 0.10 0.04 -0.22 -0.04 1.49 1.37 2r9cA1 ILE 263 HG13 0.11 -0.12 -0.13 -0.04 1.21 1.02 2r9cA1 ILE 263 HG23 0.04 0.06 -0.18 -0.04 0.93 0.80 2r9cA1 ILE 263 HD13 0.21 0.01 -0.09 -0.04 0.88 0.96 2r9cA1 THR 264 H -0.02 0.62 0.23 -0.55 8.28 8.56 2r9cA1 THR 264 HA -0.19 0.25 0.43 -0.75 4.39 4.12 2r9cA1 THR 264 HB 0.00 -0.03 0.14 -0.04 4.32 4.40 2r9cA1 THR 264 HG23 -0.05 0.08 -0.07 -0.04 1.22 1.14 2r9cA1 PHE 265 H -0.03 0.16 0.17 -0.55 8.34 8.08 2r9cA1 PHE 265 HA -0.00 0.18 0.37 -0.75 4.62 4.42 2r9cA1 PHE 265 HB2 0.00 -0.05 0.11 -0.04 3.15 3.18 2r9cA1 PHE 265 HB3 -0.02 0.04 0.07 -0.04 3.06 3.11 2r9cA1 PHE 265 HD2 0.00 -0.01 0.06 -0.04 7.28 7.29 2r9cA1 PHE 265 HE2 0.00 0.00 0.02 -0.04 7.38 7.36 2r9cA1 PHE 265 HZ 0.00 0.00 0.01 -0.04 7.32 7.29 2r9cA1 LYS 266 H 0.12 -0.01 -0.34 -0.55 8.42 7.64 2r9cA1 LYS 266 HA -0.07 0.28 0.69 -0.75 4.32 4.46 2r9cA1 LYS 266 HB2 0.22 -0.02 0.03 -0.04 1.87 2.06 2r9cA1 LYS 266 HB3 -0.44 -0.14 0.15 -0.04 1.79 1.32 2r9cA1 LYS 266 HG2 0.07 -0.03 -0.12 -0.04 1.46 1.34 2r9cA1 LYS 266 HG3 -0.05 0.00 -0.01 -0.04 1.46 1.36 2r9cA1 LYS 266 HD2 -0.38 -0.03 -0.12 -0.04 1.69 1.12 2r9cA1 LYS 266 HD3 -0.12 0.16 -0.14 -0.04 1.68 1.53 2r9cA1 LYS 266 HE2 -0.08 -0.03 -0.04 -0.04 2.99 2.81 2r9cA1 LYS 266 HE3 -0.12 0.05 -0.05 -0.04 2.99 2.83 2r9cA1 ASN 267 H 0.04 0.48 -0.46 -0.55 8.53 8.05 2r9cA1 ASN 267 HA 0.05 0.13 0.14 -0.75 4.76 4.31 2r9cA1 ASN 267 HB2 -0.01 -0.06 -0.46 -0.04 2.88 2.31 2r9cA1 ASN 267 HB3 0.01 0.29 0.00 -0.04 2.79 3.05 2r9cA1 ASN 267 HD21 0.07 -0.10 0.02 -0.04 7.03 6.98 2r9cA1 ASN 267 HD22 0.04 0.40 0.08 -0.04 7.74 8.21 2r9cA1 LEU 268 H 0.11 -0.08 -0.28 -0.55 8.37 7.57 2r9cA1 LEU 268 HA 0.18 0.20 0.71 -0.75 4.35 4.68 2r9cA1 LEU 268 HB2 -0.00 -0.08 -0.05 -0.04 1.64 1.46 2r9cA1 LEU 268 HB3 -0.12 0.08 -0.06 -0.04 1.64 1.51 2r9cA1 LEU 268 HG 0.39 -0.04 -0.20 -0.04 1.64 1.74 2r9cA1 LEU 268 HD13 -0.25 0.01 -0.10 -0.04 0.93 0.55 2r9cA1 LEU 268 HD23 0.09 0.03 -0.06 -0.04 0.89 0.91 2r9cA1 VAL 269 H 0.31 0.18 0.08 -0.55 8.24 8.27 2r9cA1 VAL 269 HA 0.02 0.24 0.92 -0.75 4.13 4.56 2r9cA1 VAL 269 HB -0.17 -0.05 0.07 -0.04 2.12 1.93 2r9cA1 VAL 269 HG13 -0.22 0.04 -0.12 -0.04 0.97 0.64 2r9cA1 VAL 269 HG23 -0.49 0.01 -0.11 -0.04 0.95 0.32 2r9cA1 ARG 270 H 0.01 0.89 0.30 -0.55 8.46 9.11 2r9cA1 ARG 270 HA 0.01 0.02 0.73 -0.75 4.34 4.35 2r9cA1 ARG 270 HB2 -0.00 0.03 0.05 -0.04 1.90 1.94 2r9cA1 ARG 270 HB3 -0.01 -0.02 -0.09 -0.04 1.80 1.64 2r9cA1 ARG 270 HG2 -0.07 -0.04 -0.11 -0.04 1.67 1.41 2r9cA1 ARG 270 HG3 -0.04 0.07 -0.10 -0.04 1.67 1.56 2r9cA1 ARG 270 HD2 -0.03 0.04 -0.10 -0.04 3.22 3.08 2r9cA1 ARG 270 HD3 -0.04 0.02 -0.04 -0.04 3.22 3.12 2r9cA1 GLY 271 H 0.04 0.74 0.33 -0.55 8.43 9.00 2r9cA1 GLY 271 HA2 0.05 -0.04 0.35 -0.51 4.01 3.85 2r9cA1 GLY 271 HA3 0.06 0.05 0.44 -0.51 4.01 4.05 2r9cA1 HIS 272 H 0.17 0.10 -0.11 -0.55 8.41 8.03 2r9cA1 HIS 272 HA 0.03 0.07 0.83 -0.75 4.63 4.81 2r9cA1 HIS 272 HB2 -0.03 0.15 -0.35 -0.04 3.26 2.99 2r9cA1 HIS 272 HB3 -0.02 0.14 -0.13 -0.04 3.20 3.15 2r9cA1 HIS 272 HD2 -1.00 -0.04 -0.06 -0.04 6.97 5.83 2r9cA1 HIS 272 HE1 -0.11 -0.04 0.03 -0.04 7.75 7.59 2r9cA1 ALA 273 H -0.25 0.04 0.09 -0.55 8.40 7.74 2r9cA1 ALA 273 HA 0.01 0.14 0.58 -0.75 4.34 4.32 2r9cA1 ALA 273 HB3 -0.07 -0.01 -0.10 -0.04 1.41 1.19 2r9cA1 TYR 274 H 0.22 0.65 0.51 -0.55 8.29 9.11 2r9cA1 TYR 274 HA -0.14 0.26 1.05 -0.75 4.56 4.97 2r9cA1 TYR 274 HB2 -0.01 -0.04 0.11 -0.04 3.06 3.08 2r9cA1 TYR 274 HB3 -0.11 0.02 -0.01 -0.04 2.98 2.85 2r9cA1 TYR 274 HD2 0.11 0.07 -0.12 -0.04 7.15 7.17 2r9cA1 TYR 274 HE2 0.32 0.14 0.07 -0.04 6.85 7.34 2r9cA1 SER 275 H -0.02 0.56 0.37 -0.55 8.46 8.82 2r9cA1 SER 275 HA 0.06 0.17 1.00 -0.75 4.49 4.97 2r9cA1 SER 275 HB2 -0.06 -0.09 0.11 -0.04 3.95 3.87 2r9cA1 SER 275 HB3 -0.01 0.12 0.02 -0.04 3.93 4.02 2r9cA1 VAL 276 H -0.00 0.62 0.17 -0.55 8.24 8.48 2r9cA1 VAL 276 HA -0.23 0.11 0.96 -0.75 4.13 4.21 2r9cA1 VAL 276 HB -0.08 -0.02 -0.02 -0.04 2.12 1.96 2r9cA1 VAL 276 HG13 -0.24 0.01 -0.09 -0.04 0.97 0.60 2r9cA1 VAL 276 HG23 -0.14 -0.03 -0.22 -0.04 0.95 0.52 2r9cA1 THR 277 H -0.28 0.57 0.27 -0.55 8.28 8.29 2r9cA1 THR 277 HA -0.14 0.27 0.87 -0.75 4.39 4.63 2r9cA1 THR 277 HB -0.16 0.02 0.03 -0.04 4.32 4.17 2r9cA1 THR 277 HG23 -0.13 0.01 -0.30 -0.04 1.22 0.76 2r9cA1 ASP 278 H -0.29 0.32 0.28 -0.55 8.40 8.16 2r9cA1 ASP 278 HA -0.12 0.16 0.30 -0.75 4.63 4.22 2r9cA1 ASP 278 HB2 -0.23 0.12 -0.28 -0.04 2.71 2.28 2r9cA1 ASP 278 HB3 -0.36 -0.11 -0.14 -0.04 2.70 2.05 2r9cA1 ALA 279 H 0.01 0.38 0.08 -0.55 8.40 8.32 2r9cA1 ALA 279 HA 0.16 0.13 0.64 -0.75 4.34 4.51 2r9cA1 ALA 279 HB3 -0.28 0.01 0.04 -0.04 1.41 1.14 2r9cA1 LYS 280 H 0.34 0.42 0.15 -0.55 8.42 8.77 2r9cA1 LYS 280 HA 0.07 0.15 0.78 -0.75 4.32 4.57 2r9cA1 LYS 280 HB2 -0.04 -0.04 -0.11 -0.04 1.87 1.64 2r9cA1 LYS 280 HB3 -0.04 0.07 0.00 -0.04 1.79 1.78 2r9cA1 LYS 280 HG2 0.29 -0.10 -0.49 -0.04 1.46 1.12 2r9cA1 LYS 280 HG3 0.29 0.05 -0.12 -0.04 1.46 1.64 2r9cA1 LYS 280 HD2 0.05 -0.02 0.04 -0.04 1.69 1.72 2r9cA1 LYS 280 HD3 0.06 0.07 0.16 -0.04 1.68 1.92 2r9cA1 LYS 280 HE2 0.12 0.02 -0.03 -0.04 2.99 3.06 2r9cA1 LYS 280 HE3 0.05 -0.00 0.02 -0.04 2.99 3.01 2r9cA1 GLN 281 H -0.01 0.22 0.19 -0.55 8.47 8.32 2r9cA1 GLN 281 HA -0.14 0.19 1.00 -0.75 4.36 4.65 2r9cA1 GLN 281 HB2 -0.02 0.02 0.09 -0.04 2.15 2.20 2r9cA1 GLN 281 HB3 -0.06 0.00 0.02 -0.04 2.02 1.94 2r9cA1 GLN 281 HG2 0.00 -0.05 -0.09 -0.04 2.40 2.22 2r9cA1 GLN 281 HG3 0.11 -0.06 -0.20 -0.04 2.39 2.19 2r9cA1 GLN 281 HE21 0.04 0.03 -0.04 -0.04 6.97 6.96 2r9cA1 GLN 281 HE22 0.06 0.02 -0.04 -0.04 7.69 7.69 2r9cA1 VAL 282 H -0.24 0.60 0.37 -0.55 8.24 8.42 2r9cA1 VAL 282 HA -0.07 0.23 0.91 -0.75 4.13 4.44 2r9cA1 VAL 282 HB -0.06 -0.06 -0.01 -0.04 2.12 1.95 2r9cA1 VAL 282 HG13 -0.27 0.02 -0.23 -0.04 0.97 0.44 2r9cA1 VAL 282 HG23 -0.62 0.01 -0.17 -0.04 0.95 0.13 2r9cA1 THR 283 H 0.04 0.13 0.12 -0.55 8.28 8.02 2r9cA1 THR 283 HA 0.05 0.24 0.67 -0.75 4.39 4.59 2r9cA1 THR 283 HB 0.06 -0.08 0.19 -0.04 4.32 4.44 2r9cA1 THR 283 HG23 0.03 -0.02 -0.24 -0.04 1.22 0.95 2r9cA1 TYR 284 H 0.18 0.83 0.18 -0.55 8.29 8.93 2r9cA1 TYR 284 HA 0.11 0.25 0.70 -0.75 4.56 4.87 2r9cA1 TYR 284 HB2 0.27 -0.07 -0.10 -0.04 3.06 3.11 2r9cA1 TYR 284 HB3 0.12 0.07 0.11 -0.04 2.98 3.24 2r9cA1 TYR 284 HD2 0.13 0.02 -0.12 -0.04 7.15 7.14 2r9cA1 TYR 284 HE2 -0.11 0.02 -0.00 -0.04 6.85 6.72 2r9cA1 GLN 285 H -0.19 0.75 0.30 -0.55 8.47 8.79 2r9cA1 GLN 285 HA -0.13 0.07 0.35 -0.75 4.36 3.90 2r9cA1 GLN 285 HB2 -0.37 0.04 -0.08 -0.04 2.15 1.70 2r9cA1 GLN 285 HB3 -0.16 0.01 0.23 -0.04 2.02 2.06 2r9cA1 GLN 285 HG2 -0.19 0.02 0.08 -0.04 2.40 2.27 2r9cA1 GLN 285 HG3 -0.44 0.05 0.12 -0.04 2.39 2.08 2r9cA1 GLN 285 HE21 -0.13 -0.01 -0.01 -0.04 6.97 6.78 2r9cA1 GLN 285 HE22 -0.14 0.02 0.02 -0.04 7.69 7.55 2r9cA1 GLY 286 H -0.01 0.11 -0.33 -0.55 8.43 7.66 2r9cA1 GLY 286 HA2 0.01 -0.02 0.19 -0.51 4.01 3.68 2r9cA1 GLY 286 HA3 -0.01 0.12 0.35 -0.51 4.01 3.96 2r9cA1 GLN 287 H 0.04 0.42 -0.53 -0.55 8.47 7.86 2r9cA1 GLN 287 HA 0.03 0.00 0.88 -0.75 4.36 4.51 2r9cA1 GLN 287 HB2 0.04 0.00 -0.06 -0.04 2.15 2.08 2r9cA1 GLN 287 HB3 0.10 0.04 0.03 -0.04 2.02 2.14 2r9cA1 GLN 287 HG2 0.03 -0.10 0.11 -0.04 2.40 2.41 2r9cA1 GLN 287 HG3 0.03 -0.01 0.04 -0.04 2.39 2.41 2r9cA1 GLN 287 HE21 0.04 -0.07 0.02 -0.04 6.97 6.92 2r9cA1 GLN 287 HE22 0.03 -0.03 0.03 -0.04 7.69 7.68 2r9cA1 ARG 288 H 0.01 0.16 0.12 -0.55 8.46 8.20 2r9cA1 ARG 288 HA -0.01 0.21 0.54 -0.75 4.34 4.32 2r9cA1 ARG 288 HB2 -0.01 0.01 0.08 -0.04 1.90 1.94 2r9cA1 ARG 288 HB3 -0.02 -0.01 0.05 -0.04 1.80 1.77 2r9cA1 ARG 288 HG2 -0.07 0.02 -0.06 -0.04 1.67 1.52 2r9cA1 ARG 288 HG3 -0.03 0.01 -0.07 -0.04 1.67 1.54 2r9cA1 ARG 288 HD2 -0.09 -0.08 -0.22 -0.04 3.22 2.79 2r9cA1 ARG 288 HD3 -0.04 0.01 -0.09 -0.04 3.22 3.07 2r9cA1 VAL 289 H -0.10 0.60 0.40 -0.55 8.24 8.60 2r9cA1 VAL 289 HA -0.10 0.12 0.82 -0.75 4.13 4.21 2r9cA1 VAL 289 HB -0.26 -0.03 0.08 -0.04 2.12 1.88 2r9cA1 VAL 289 HG13 -0.31 -0.01 -0.13 -0.04 0.97 0.47 2r9cA1 VAL 289 HG23 0.10 0.04 -0.14 -0.04 0.95 0.90 2r9cA1 ASN 290 H -0.23 0.14 0.16 -0.55 8.53 8.05 2r9cA1 ASN 290 HA -0.30 0.14 0.74 -0.75 4.76 4.58 2r9cA1 ASN 290 HB2 -0.48 -0.11 0.21 -0.04 2.88 2.45 2r9cA1 ASN 290 HB3 -1.60 0.08 0.01 -0.04 2.79 1.25 2r9cA1 ASN 290 HD21 -0.27 0.05 -0.03 -0.04 7.03 6.74 2r9cA1 ASN 290 HD22 -0.53 -0.04 0.01 -0.04 7.74 7.14 2r9cA1 LEU 291 H -0.12 0.71 0.42 -0.55 8.37 8.84 2r9cA1 LEU 291 HA -0.12 0.08 1.09 -0.75 4.35 4.65 2r9cA1 LEU 291 HB2 -0.12 0.05 -0.02 -0.04 1.64 1.51 2r9cA1 LEU 291 HB3 0.08 0.05 0.00 -0.04 1.64 1.73 2r9cA1 LEU 291 HG -0.71 0.02 -0.18 -0.04 1.64 0.73 2r9cA1 LEU 291 HD13 -1.03 0.00 -0.20 -0.04 0.93 -0.34 2r9cA1 LEU 291 HD23 -1.49 -0.01 -0.33 -0.04 0.89 -0.98 2r9cA1 ILE 292 H 0.19 0.68 0.32 -0.55 8.25 8.89 2r9cA1 ILE 292 HA 0.05 0.20 0.88 -0.75 4.18 4.56 2r9cA1 ILE 292 HB 0.05 -0.03 -0.14 -0.04 1.89 1.73 2r9cA1 ILE 292 HG12 -0.52 0.01 -0.11 -0.04 1.49 0.83 2r9cA1 ILE 292 HG13 -0.28 0.23 0.20 -0.04 1.21 1.33 2r9cA1 ILE 292 HG23 -0.32 -0.02 -0.16 -0.04 0.93 0.39 2r9cA1 ILE 292 HD13 -0.77 -0.02 -0.08 -0.04 0.88 -0.04 2r9cA1 ARG 293 H -0.36 0.74 0.29 -0.55 8.46 8.57 2r9cA1 ARG 293 HA -0.69 0.29 1.07 -0.75 4.34 4.26 2r9cA1 ARG 293 HB2 -2.54 -0.04 -0.16 -0.04 1.90 -0.88 2r9cA1 ARG 293 HB3 -0.82 -0.10 -0.01 -0.04 1.80 0.84 2r9cA1 ARG 293 HG2 -0.72 0.03 -0.14 -0.04 1.67 0.80 2r9cA1 ARG 293 HG3 -1.48 0.00 -0.23 -0.04 1.67 -0.08 2r9cA1 ARG 293 HD2 -0.52 0.03 -0.15 -0.04 3.22 2.53 2r9cA1 ARG 293 HD3 -1.16 0.02 -0.15 -0.04 3.22 1.89 2r9cA1 MET 294 H -0.70 0.62 0.39 -0.55 8.47 8.24 2r9cA1 MET 294 HA -0.35 0.13 0.89 -0.75 4.52 4.44 2r9cA1 MET 294 HB2 -0.27 0.10 0.11 -0.04 2.15 2.05 2r9cA1 MET 294 HB3 -0.45 -0.07 -0.10 -0.04 2.03 1.36 2r9cA1 MET 294 HG2 -1.16 0.02 0.02 -0.04 2.63 1.47 2r9cA1 MET 294 HG3 -0.61 0.02 -0.27 -0.04 2.56 1.66 2r9cA1 MET 294 HE3 -0.43 -0.02 -0.23 -0.04 2.10 1.38 2r9cA1 ARG 295 H -0.13 0.56 0.33 -0.55 8.46 8.67 2r9cA1 ARG 295 HA -0.14 0.30 1.03 -0.75 4.34 4.78 2r9cA1 ARG 295 HB2 -0.15 -0.02 -0.24 -0.04 1.90 1.45 2r9cA1 ARG 295 HB3 -0.10 -0.04 0.01 -0.04 1.80 1.63 2r9cA1 ARG 295 HG2 -0.05 0.03 -0.48 -0.04 1.67 1.13 2r9cA1 ARG 295 HG3 -0.03 -0.00 -0.26 -0.04 1.67 1.34 2r9cA1 ARG 295 HD2 -0.06 -0.07 -0.15 -0.04 3.22 2.90 2r9cA1 ARG 295 HD3 -0.05 -0.05 -0.12 -0.04 3.22 2.96 2r9cA1 ASN 296 H 0.12 0.76 0.31 -0.55 8.53 9.17 2r9cA1 ASN 296 HA -0.52 0.10 0.75 -0.75 4.76 4.33 2r9cA1 ASN 296 HB2 0.14 0.04 0.26 -0.04 2.88 3.28 2r9cA1 ASN 296 HB3 0.08 -0.04 0.33 -0.04 2.79 3.12 2r9cA1 ASN 296 HD21 -1.26 -0.13 0.11 -0.04 7.03 5.72 2r9cA1 ASN 296 HD22 -0.10 0.48 0.30 -0.04 7.74 8.37 2r9cA1 PRO 297 HA -0.05 0.22 0.46 -0.51 4.44 4.57 2r9cA1 PRO 297 HB2 -0.03 -0.06 -0.00 -0.04 2.28 2.14 2r9cA1 PRO 297 HB3 -0.11 0.02 -0.06 -0.04 2.02 1.83 2r9cA1 PRO 297 HG2 -0.19 -0.07 0.12 -0.04 2.03 1.85 2r9cA1 PRO 297 HG3 -0.29 0.10 0.19 -0.04 2.03 1.99 2r9cA1 PRO 297 HD2 -0.63 0.06 0.41 -0.04 3.68 3.48 2r9cA1 PRO 297 HD3 -0.31 0.14 0.47 -0.04 3.65 3.91 2r9cA1 TRP 298 H 0.01 0.07 -0.36 -0.55 7.97 7.15 2r9cA1 TRP 298 HA -0.03 0.03 0.71 -0.75 4.62 4.57 2r9cA1 TRP 298 HB2 0.02 0.14 0.06 -0.04 3.23 3.41 2r9cA1 TRP 298 HB3 -0.00 0.03 -0.01 -0.04 3.23 3.22 2r9cA1 TRP 298 HD1 0.04 -0.05 -0.09 -0.04 7.22 7.08 2r9cA1 TRP 298 HE1 -0.02 -0.05 -0.01 -0.04 10.20 10.08 2r9cA1 TRP 298 HE3 -0.01 0.07 -0.09 -0.04 7.59 7.52 2r9cA1 TRP 298 HZ2 -0.34 -0.02 -0.03 -0.04 7.44 7.01 2r9cA1 TRP 298 HZ3 -0.05 -0.02 -0.07 -0.04 7.13 6.95 2r9cA1 TRP 298 HH2 -0.15 -0.04 -0.06 -0.04 7.19 6.90 2r9cA1 GLY 299 H 0.12 0.55 -0.13 -0.55 8.43 8.42 2r9cA1 GLY 299 HA2 0.06 0.20 0.22 -0.51 4.01 3.98 2r9cA1 GLY 299 HA3 0.05 0.10 0.45 -0.51 4.01 4.10 2r9cA1 GLU 300 H 0.25 0.23 -0.20 -0.55 8.60 8.33 2r9cA1 GLU 300 HA 0.16 -0.11 0.30 -0.75 4.29 3.88 2r9cA1 GLU 300 HB2 0.14 -0.12 0.01 -0.04 2.09 2.08 2r9cA1 GLU 300 HB3 0.11 0.22 -0.18 -0.04 1.99 2.11 2r9cA1 GLU 300 HG2 0.19 0.22 -0.45 -0.04 2.34 2.25 2r9cA1 GLU 300 HG3 0.33 -0.06 -0.34 -0.04 2.34 2.23 2r9cA1 VAL 301 H 0.17 0.09 0.07 -0.55 8.24 8.02 2r9cA1 VAL 301 HA 0.17 -0.01 0.40 -0.75 4.13 3.93 2r9cA1 VAL 301 HB 0.38 0.11 0.23 -0.04 2.12 2.80 2r9cA1 VAL 301 HG13 0.20 0.02 -0.14 -0.04 0.97 1.02 2r9cA1 VAL 301 HG23 0.36 -0.01 -0.16 -0.04 0.95 1.10 2r9cA1 GLU 302 H 0.10 0.15 0.14 -0.55 8.60 8.44 2r9cA1 GLU 302 HA 0.07 0.17 0.83 -0.75 4.29 4.61 2r9cA1 GLU 302 HB2 0.09 0.02 0.00 -0.04 2.09 2.16 2r9cA1 GLU 302 HB3 0.07 0.03 -0.05 -0.04 1.99 2.00 2r9cA1 GLU 302 HG2 0.42 0.10 -0.46 -0.04 2.34 2.37 2r9cA1 GLU 302 HG3 0.20 -0.19 -0.24 -0.04 2.34 2.07 2r9cA1 TRP 303 H -1.05 0.07 0.06 -0.55 7.97 6.50 2r9cA1 TRP 303 HA -0.23 0.20 0.46 -0.75 4.62 4.29 2r9cA1 TRP 303 HB2 -0.67 0.01 0.05 -0.04 3.23 2.57 2r9cA1 TRP 303 HB3 -1.14 -0.01 0.03 -0.04 3.23 2.07 2r9cA1 TRP 303 HD1 0.23 0.12 -0.17 -0.04 7.22 7.36 2r9cA1 TRP 303 HE1 0.25 0.62 -0.11 -0.04 10.20 10.92 2r9cA1 TRP 303 HE3 -0.05 0.08 -0.02 -0.04 7.59 7.56 2r9cA1 TRP 303 HZ2 0.12 -0.00 0.05 -0.04 7.44 7.57 2r9cA1 TRP 303 HZ3 0.01 -0.02 -0.01 -0.04 7.13 7.07 2r9cA1 TRP 303 HH2 0.05 0.03 0.03 -0.04 7.19 7.26 2r9cA1 LYS 304 H -0.47 0.45 0.27 -0.55 8.42 8.11 2r9cA1 LYS 304 HA -0.29 0.11 0.83 -0.75 4.32 4.22 2r9cA1 LYS 304 HB2 -0.26 -0.02 0.03 -0.04 1.87 1.59 2r9cA1 LYS 304 HB3 -0.21 -0.04 0.15 -0.04 1.79 1.65 2r9cA1 LYS 304 HG2 -0.09 0.23 -0.19 -0.04 1.46 1.37 2r9cA1 LYS 304 HG3 -0.08 -0.02 -0.07 -0.04 1.46 1.25 2r9cA1 LYS 304 HD2 -0.08 -0.05 0.01 -0.04 1.69 1.53 2r9cA1 LYS 304 HD3 -0.07 0.04 -0.04 -0.04 1.68 1.58 2r9cA1 LYS 304 HE2 -0.00 0.05 -0.01 -0.04 2.99 2.98 2r9cA1 LYS 304 HE3 -0.02 -0.01 -0.01 -0.04 2.99 2.91 2r9cA1 GLY 305 H -2.86 0.01 -0.02 -0.55 8.43 5.01 2r9cA1 GLY 305 HA2 -0.67 0.16 0.55 -0.51 4.01 3.53 2r9cA1 GLY 305 HA3 -1.68 0.02 0.37 -0.51 4.01 2.20 2r9cA1 PRO 306 HA -0.21 -0.04 0.53 -0.51 4.44 4.20 2r9cA1 PRO 306 HB2 0.30 -0.05 0.06 -0.04 2.28 2.54 2r9cA1 PRO 306 HB3 -0.27 0.03 0.09 -0.04 2.02 1.84 2r9cA1 PRO 306 HG2 0.13 0.05 0.10 -0.04 2.03 2.27 2r9cA1 PRO 306 HG3 -0.04 0.08 0.10 -0.04 2.03 2.13 2r9cA1 PRO 306 HD2 0.33 0.08 0.22 -0.04 3.68 4.26 2r9cA1 PRO 306 HD3 -0.09 0.17 0.19 -0.04 3.65 3.88 2r9cA1 TRP 307 H -0.46 0.01 0.13 -0.55 7.97 7.11 2r9cA1 TRP 307 HA -0.25 -0.02 0.23 -0.75 4.62 3.82 2r9cA1 TRP 307 HB2 0.29 0.16 -0.13 -0.04 3.23 3.52 2r9cA1 TRP 307 HB3 0.11 0.01 -0.14 -0.04 3.23 3.17 2r9cA1 TRP 307 HD1 0.05 -0.05 -0.30 -0.04 7.22 6.87 2r9cA1 TRP 307 HE1 -0.27 0.01 -0.09 -0.04 10.20 9.81 2r9cA1 TRP 307 HE3 -2.14 0.08 -0.14 -0.04 7.59 5.34 2r9cA1 TRP 307 HZ2 -0.85 0.03 -0.11 -0.04 7.44 6.47 2r9cA1 TRP 307 HZ3 -1.15 0.05 -0.26 -0.04 7.13 5.73 2r9cA1 TRP 307 HH2 -0.28 0.03 -0.21 -0.04 7.19 6.69 2r9cA1 SER 308 H 0.32 0.33 -0.58 -0.55 8.46 7.98 2r9cA1 SER 308 HA 0.60 0.08 0.44 -0.75 4.49 4.87 2r9cA1 SER 308 HB2 0.08 0.09 0.10 -0.04 3.95 4.18 2r9cA1 SER 308 HB3 -0.12 -0.06 -0.27 -0.04 3.93 3.44 2r9cA1 ASP 309 H 0.29 0.19 0.18 -0.55 8.40 8.51 2r9cA1 ASP 309 HA 0.20 0.09 0.26 -0.75 4.63 4.43 2r9cA1 ASP 309 HB2 0.12 -0.04 0.12 -0.04 2.71 2.87 2r9cA1 ASP 309 HB3 0.07 -0.03 0.04 -0.04 2.70 2.73 2r9cA1 ASN 310 H 0.09 0.04 -0.32 -0.55 8.53 7.80 2r9cA1 ASN 310 HA 0.04 0.21 0.66 -0.75 4.76 4.91 2r9cA1 ASN 310 HB2 -0.03 -0.00 -0.01 -0.04 2.88 2.79 2r9cA1 ASN 310 HB3 -0.05 0.02 0.11 -0.04 2.79 2.82 2r9cA1 ASN 310 HD21 0.01 -0.00 -0.06 -0.04 7.03 6.94 2r9cA1 ASN 310 HD22 -0.01 0.02 -0.03 -0.04 7.74 7.69 2r9cA1 SER 311 H 0.21 0.50 -0.39 -0.55 8.46 8.22 2r9cA1 SER 311 HA -0.18 0.12 0.27 -0.75 4.49 3.94 2r9cA1 SER 311 HB2 -0.18 -0.17 0.11 -0.04 3.95 3.67 2r9cA1 SER 311 HB3 -0.02 0.18 0.01 -0.04 3.93 4.06 2r9cA1 TYR 312 H -0.15 0.15 0.15 -0.55 8.29 7.89 2r9cA1 TYR 312 HA 0.01 0.21 0.52 -0.75 4.56 4.54 2r9cA1 TYR 312 HB2 -0.08 -0.04 0.08 -0.04 3.06 2.98 2r9cA1 TYR 312 HB3 -0.04 0.02 0.03 -0.04 2.98 2.95 2r9cA1 TYR 312 HD2 -0.02 -0.01 0.02 -0.04 7.15 7.10 2r9cA1 TYR 312 HE2 -0.01 0.02 -0.00 -0.04 6.85 6.81 2r9cA1 GLU 313 H -0.33 0.00 -0.23 -0.55 8.60 7.50 2r9cA1 GLU 313 HA -0.23 0.12 0.29 -0.75 4.29 3.71 2r9cA1 GLU 313 HB2 -1.73 -0.10 0.04 -0.04 2.09 0.26 2r9cA1 GLU 313 HB3 -2.96 0.06 -0.08 -0.04 1.99 -1.03 2r9cA1 GLU 313 HG2 -1.66 0.02 -0.02 -0.04 2.34 0.64 2r9cA1 GLU 313 HG3 -0.76 0.09 0.00 -0.04 2.34 1.63 2r9cA1 TRP 314 H -0.10 0.24 -0.43 -0.55 7.97 7.13 2r9cA1 TRP 314 HA 0.16 0.00 0.27 -0.75 4.62 4.30 2r9cA1 TRP 314 HB2 0.05 0.16 -0.05 -0.04 3.23 3.35 2r9cA1 TRP 314 HB3 0.09 0.02 -0.01 -0.04 3.23 3.29 2r9cA1 TRP 314 HD1 0.05 0.12 -0.12 -0.04 7.22 7.23 2r9cA1 TRP 314 HE1 0.32 0.41 -0.26 -0.04 10.20 10.63 2r9cA1 TRP 314 HE3 0.15 -0.05 -0.02 -0.04 7.59 7.63 2r9cA1 TRP 314 HZ2 0.12 0.05 -0.08 -0.04 7.44 7.49 2r9cA1 TRP 314 HZ3 -0.15 -0.00 -0.18 -0.04 7.13 6.75 2r9cA1 TRP 314 HH2 -0.99 0.00 -0.20 -0.04 7.19 5.96 2r9cA1 ASN 315 H 0.17 0.41 -0.48 -0.55 8.53 8.07 2r9cA1 ASN 315 HA 0.16 0.08 0.40 -0.75 4.76 4.63 2r9cA1 ASN 315 HB2 0.09 0.15 0.07 -0.04 2.88 3.14 2r9cA1 ASN 315 HB3 0.07 -0.03 0.09 -0.04 2.79 2.87 2r9cA1 ASN 315 HD21 0.26 -0.00 0.01 -0.04 7.03 7.25 2r9cA1 ASN 315 HD22 0.12 -0.02 0.04 -0.04 7.74 7.84 2r9cA1 LYS 316 H 0.13 0.44 -0.40 -0.55 8.42 8.04 2r9cA1 LYS 316 HA 0.01 0.25 0.97 -0.75 4.32 4.79 2r9cA1 LYS 316 HB2 -0.07 0.04 0.08 -0.04 1.87 1.88 2r9cA1 LYS 316 HB3 -0.30 -0.14 0.22 -0.04 1.79 1.53 2r9cA1 LYS 316 HG2 -0.09 0.03 -0.05 -0.04 1.46 1.31 2r9cA1 LYS 316 HG3 -0.01 -0.01 -0.32 -0.04 1.46 1.07 2r9cA1 LYS 316 HD2 -0.03 -0.03 -0.04 -0.04 1.69 1.54 2r9cA1 LYS 316 HD3 -0.27 -0.02 -0.02 -0.04 1.68 1.33 2r9cA1 LYS 316 HE2 -0.04 0.02 -0.08 -0.04 2.99 2.85 2r9cA1 LYS 316 HE3 -0.05 -0.03 -0.05 -0.04 2.99 2.82 2r9cA1 VAL 317 H 0.21 0.29 -0.16 -0.55 8.24 8.03 2r9cA1 VAL 317 HA 0.16 0.44 1.10 -0.75 4.13 5.08 2r9cA1 VAL 317 HB 0.20 -0.19 0.13 -0.04 2.12 2.21 2r9cA1 VAL 317 HG13 0.39 0.01 -0.23 -0.04 0.97 1.10 2r9cA1 VAL 317 HG23 0.40 0.10 -0.12 -0.04 0.95 1.29 2r9cA1 ASP 318 H 0.12 0.08 0.22 -0.55 8.40 8.27 2r9cA1 ASP 318 HA 0.09 0.19 0.57 -0.75 4.63 4.72 2r9cA1 ASP 318 HB2 0.08 0.07 0.20 -0.04 2.71 3.02 2r9cA1 ASP 318 HB3 0.11 -0.13 0.22 -0.04 2.70 2.86 2r9cA1 PRO 319 HA 0.11 0.14 0.36 -0.51 4.44 4.54 2r9cA1 PRO 319 HB2 0.10 -0.00 0.04 -0.04 2.28 2.38 2r9cA1 PRO 319 HB3 0.08 0.08 0.10 -0.04 2.02 2.24 2r9cA1 PRO 319 HG2 0.06 0.05 0.11 -0.04 2.03 2.21 2r9cA1 PRO 319 HG3 0.07 0.14 0.13 -0.04 2.03 2.33 2r9cA1 PRO 319 HD2 0.09 0.03 0.23 -0.04 3.68 3.99 2r9cA1 PRO 319 HD3 0.08 0.21 0.30 -0.04 3.65 4.19 2r9cA1 TYR 320 H 0.21 0.11 -0.17 -0.55 8.29 7.88 2r9cA1 TYR 320 HA 0.03 0.14 0.54 -0.75 4.56 4.53 2r9cA1 TYR 320 HB2 0.03 0.03 0.08 -0.04 3.06 3.16 2r9cA1 TYR 320 HB3 0.03 -0.05 0.03 -0.04 2.98 2.95 2r9cA1 TYR 320 HD2 0.02 -0.01 -0.06 -0.04 7.15 7.05 2r9cA1 TYR 320 HE2 0.02 0.03 -0.02 -0.04 6.85 6.83 2r9cA1 GLU 321 H 0.16 0.06 -0.16 -0.55 8.60 8.11 2r9cA1 GLU 321 HA -0.01 0.09 0.49 -0.75 4.29 4.10 2r9cA1 GLU 321 HB2 0.13 0.11 0.16 -0.04 2.09 2.45 2r9cA1 GLU 321 HB3 0.09 0.01 -0.00 -0.04 1.99 2.05 2r9cA1 GLU 321 HG2 0.05 0.11 0.09 -0.04 2.34 2.56 2r9cA1 GLU 321 HG3 0.12 -0.04 0.08 -0.04 2.34 2.47 2r9cA1 ARG 322 H 0.14 0.53 -0.18 -0.55 8.46 8.40 2r9cA1 ARG 322 HA 0.23 -0.04 0.39 -0.75 4.34 4.17 2r9cA1 ARG 322 HB2 0.28 0.04 0.01 -0.04 1.90 2.19 2r9cA1 ARG 322 HB3 0.10 0.12 0.09 -0.04 1.80 2.08 2r9cA1 ARG 322 HG2 -0.06 0.02 -0.20 -0.04 1.67 1.39 2r9cA1 ARG 322 HG3 0.21 -0.09 0.00 -0.04 1.67 1.76 2r9cA1 ARG 322 HD2 0.07 -0.01 -0.06 -0.04 3.22 3.18 2r9cA1 ARG 322 HD3 0.10 -0.05 -0.10 -0.04 3.22 3.13 2r9cA1 GLU 323 H -0.04 0.43 -0.20 -0.55 8.60 8.25 2r9cA1 GLU 323 HA -0.09 0.07 0.39 -0.75 4.29 3.91 2r9cA1 GLU 323 HB2 -0.06 -0.04 0.06 -0.04 2.09 2.01 2r9cA1 GLU 323 HB3 -0.03 0.06 0.14 -0.04 1.99 2.12 2r9cA1 GLU 323 HG2 -0.28 0.08 0.30 -0.04 2.34 2.39 2r9cA1 GLU 323 HG3 -0.33 0.06 -0.18 -0.04 2.34 1.84 2r9cA1 GLN 324 H -0.24 0.44 -0.14 -0.55 8.47 7.98 2r9cA1 GLN 324 HA -0.15 0.04 0.46 -0.75 4.36 3.95 2r9cA1 GLN 324 HB2 -0.17 -0.00 0.14 -0.04 2.15 2.08 2r9cA1 GLN 324 HB3 -0.10 -0.05 -0.00 -0.04 2.02 1.83 2r9cA1 GLN 324 HG2 -1.00 0.21 0.07 -0.04 2.40 1.63 2r9cA1 GLN 324 HG3 -0.38 -0.10 -0.01 -0.04 2.39 1.86 2r9cA1 GLN 324 HE21 -0.16 -0.01 -0.04 -0.04 6.97 6.72 2r9cA1 GLN 324 HE22 -0.84 -0.01 -0.03 -0.04 7.69 6.76 2r9cA1 LEU 325 H -0.11 0.41 -0.21 -0.55 8.37 7.91 2r9cA1 LEU 325 HA 0.13 0.16 0.54 -0.75 4.35 4.42 2r9cA1 LEU 325 HB2 -0.10 0.05 0.01 -0.04 1.64 1.56 2r9cA1 LEU 325 HB3 -0.56 -0.10 -0.13 -0.04 1.64 0.80 2r9cA1 LEU 325 HG -0.08 0.06 -0.03 -0.04 1.64 1.55 2r9cA1 LEU 325 HD13 -0.43 -0.04 -0.17 -0.04 0.93 0.25 2r9cA1 LEU 325 HD23 0.08 0.01 -0.19 -0.04 0.89 0.74 2r9cA1 ARG 326 H -0.42 0.52 0.09 -0.55 8.46 8.10 2r9cA1 ARG 326 HA -0.36 -0.01 0.48 -0.75 4.34 3.69 2r9cA1 ARG 326 HB2 -2.62 -0.11 0.06 -0.04 1.90 -0.82 2r9cA1 ARG 326 HB3 -0.74 0.15 0.11 -0.04 1.80 1.27 2r9cA1 ARG 326 HG2 -0.42 -0.05 -0.29 -0.04 1.67 0.87 2r9cA1 ARG 326 HG3 -0.95 -0.03 -0.03 -0.04 1.67 0.61 2r9cA1 ARG 326 HD2 -0.40 0.27 0.02 -0.04 3.22 3.07 2r9cA1 ARG 326 HD3 -1.29 -0.11 -0.04 -0.04 3.22 1.74 2r9cA1 VAL 327 H -0.01 0.18 0.12 -0.55 8.24 7.98 2r9cA1 VAL 327 HA -0.05 0.17 0.71 -0.75 4.13 4.21 2r9cA1 VAL 327 HB 0.05 -0.04 0.09 -0.04 2.12 2.18 2r9cA1 VAL 327 HG13 0.01 -0.03 -0.18 -0.04 0.97 0.74 2r9cA1 VAL 327 HG23 0.03 0.05 -0.24 -0.04 0.95 0.74 2r9cA1 LYS 328 H -0.04 0.23 -0.01 -0.55 8.42 8.05 2r9cA1 LYS 328 HA 0.01 0.06 0.60 -0.75 4.32 4.23 2r9cA1 LYS 328 HB2 -0.02 0.02 0.17 -0.04 1.87 1.99 2r9cA1 LYS 328 HB3 -0.00 -0.02 0.07 -0.04 1.79 1.80 2r9cA1 LYS 328 HG2 -0.02 0.05 -0.06 -0.04 1.46 1.39 2r9cA1 LYS 328 HG3 -0.10 -0.00 -0.07 -0.04 1.46 1.25 2r9cA1 LYS 328 HD2 -0.04 0.01 -0.02 -0.04 1.69 1.60 2r9cA1 LYS 328 HD3 -0.01 -0.04 -0.00 -0.04 1.68 1.59 2r9cA1 LYS 328 HE2 0.01 -0.07 -0.07 -0.04 2.99 2.82 2r9cA1 LYS 328 HE3 0.00 0.12 0.01 -0.04 2.99 3.09 2r9cA1 MET 329 H 0.06 0.40 0.21 -0.55 8.47 8.58 2r9cA1 MET 329 HA 0.03 0.00 0.58 -0.75 4.52 4.38 2r9cA1 MET 329 HB2 0.04 0.00 -0.16 -0.04 2.15 1.99 2r9cA1 MET 329 HB3 0.04 0.00 -0.19 -0.04 2.03 1.84 2r9cA1 MET 329 HG2 0.02 0.04 0.04 -0.04 2.63 2.68 2r9cA1 MET 329 HG3 0.01 0.01 -0.53 -0.04 2.56 2.00 2r9cA1 MET 329 HE3 0.02 -0.00 -0.05 -0.04 2.10 2.03 2r9cA1 GLU 330 H 0.05 0.23 0.08 -0.55 8.60 8.41 2r9cA1 GLU 330 HA 0.10 0.01 0.78 -0.75 4.29 4.41 2r9cA1 GLU 330 HB2 0.06 0.00 0.16 -0.04 2.09 2.26 2r9cA1 GLU 330 HB3 0.05 0.07 0.25 -0.04 1.99 2.32 2r9cA1 GLU 330 HG2 0.06 0.06 0.09 -0.04 2.34 2.50 2r9cA1 GLU 330 HG3 0.08 0.12 0.03 -0.04 2.34 2.54 2r9cA1 ASP 331 H 0.11 0.17 0.14 -0.55 8.40 8.27 2r9cA1 ASP 331 HA 0.06 0.40 0.90 -0.75 4.63 5.23 2r9cA1 ASP 331 HB2 0.03 0.01 0.12 -0.04 2.71 2.84 2r9cA1 ASP 331 HB3 0.04 0.01 -0.14 -0.04 2.70 2.57 2r9cA1 GLY 332 H 0.15 -0.03 -0.07 -0.55 8.43 7.93 2r9cA1 GLY 332 HA2 0.22 0.01 0.02 -0.51 4.01 3.75 2r9cA1 GLY 332 HA3 0.13 0.19 0.46 -0.51 4.01 4.28 2r9cA1 GLU 333 H 0.12 0.05 -0.30 -0.55 8.60 7.92 2r9cA1 GLU 333 HA -0.15 0.33 1.02 -0.75 4.29 4.73 2r9cA1 GLU 333 HB2 -0.06 0.02 -0.09 -0.04 2.09 1.92 2r9cA1 GLU 333 HB3 -0.02 -0.02 0.02 -0.04 1.99 1.93 2r9cA1 GLU 333 HG2 -0.24 -0.02 -0.18 -0.04 2.34 1.86 2r9cA1 GLU 333 HG3 -0.32 0.15 -0.06 -0.04 2.34 2.07 2r9cA1 PHE 334 H -0.64 0.66 0.44 -0.55 8.34 8.26 2r9cA1 PHE 334 HA 0.16 0.13 0.68 -0.75 4.62 4.83 2r9cA1 PHE 334 HB2 0.40 0.05 0.10 -0.04 3.15 3.66 2r9cA1 PHE 334 HB3 0.24 0.04 -0.08 -0.04 3.06 3.22 2r9cA1 PHE 334 HD2 0.20 0.08 -0.45 -0.04 7.28 7.07 2r9cA1 PHE 334 HE2 0.14 0.06 -0.05 -0.04 7.38 7.49 2r9cA1 PHE 334 HZ 0.04 0.00 -0.04 -0.04 7.32 7.28 2r9cA1 TRP 335 H 0.82 0.22 0.14 -0.55 7.97 8.60 2r9cA1 TRP 335 HA 0.13 0.27 1.06 -0.75 4.62 5.33 2r9cA1 TRP 335 HB2 0.67 0.16 0.00 -0.04 3.23 4.02 2r9cA1 TRP 335 HB3 0.23 -0.05 -0.08 -0.04 3.23 3.30 2r9cA1 TRP 335 HD1 0.38 -0.02 -0.05 -0.04 7.22 7.49 2r9cA1 TRP 335 HE1 0.06 0.52 -0.06 -0.04 10.20 10.69 2r9cA1 TRP 335 HE3 0.00 -0.01 -0.39 -0.04 7.59 7.15 2r9cA1 TRP 335 HZ2 0.04 0.14 -0.09 -0.04 7.44 7.49 2r9cA1 TRP 335 HZ3 -0.02 -0.14 -0.38 -0.04 7.13 6.54 2r9cA1 TRP 335 HH2 0.00 0.00 -0.22 -0.04 7.19 6.94 2r9cA1 MET 336 H 0.28 0.67 0.36 -0.55 8.47 9.24 2r9cA1 MET 336 HA 0.45 0.25 0.64 -0.75 4.52 5.11 2r9cA1 MET 336 HB2 0.01 -0.01 -0.05 -0.04 2.15 2.05 2r9cA1 MET 336 HB3 -0.11 -0.06 0.04 -0.04 2.03 1.85 2r9cA1 MET 336 HG2 -1.31 0.05 -0.11 -0.04 2.63 1.22 2r9cA1 MET 336 HG3 0.09 -0.00 -0.45 -0.04 2.56 2.15 2r9cA1 MET 336 HE3 -1.03 -0.01 -0.18 -0.04 2.10 0.84 2r9cA1 SER 337 H 0.34 0.16 0.08 -0.55 8.46 8.50 2r9cA1 SER 337 HA -0.23 0.26 0.80 -0.75 4.49 4.57 2r9cA1 SER 337 HB2 -0.02 0.05 0.17 -0.04 3.95 4.11 2r9cA1 SER 337 HB3 0.14 0.08 0.10 -0.04 3.93 4.21 2r9cA1 PHE 338 H 0.03 0.74 0.26 -0.55 8.34 8.82 2r9cA1 PHE 338 HA 0.07 0.08 0.38 -0.75 4.62 4.40 2r9cA1 PHE 338 HB2 -0.24 0.06 -0.08 -0.04 3.15 2.85 2r9cA1 PHE 338 HB3 -0.21 -0.02 0.07 -0.04 3.06 2.86 2r9cA1 PHE 338 HD2 -0.01 0.02 -0.10 -0.04 7.28 7.15 2r9cA1 PHE 338 HE2 0.11 0.04 -0.11 -0.04 7.38 7.38 2r9cA1 PHE 338 HZ 0.12 0.01 -0.17 -0.04 7.32 7.23 2r9cA1 ARG 339 H 0.05 0.10 -0.13 -0.55 8.46 7.93 2r9cA1 ARG 339 HA -0.07 0.13 0.36 -0.75 4.34 4.01 2r9cA1 ARG 339 HB2 0.03 0.01 0.10 -0.04 1.90 2.00 2r9cA1 ARG 339 HB3 0.06 -0.06 0.03 -0.04 1.80 1.78 2r9cA1 ARG 339 HG2 0.02 0.02 -0.15 -0.04 1.67 1.53 2r9cA1 ARG 339 HG3 0.01 0.04 0.02 -0.04 1.67 1.71 2r9cA1 ARG 339 HD2 0.04 0.05 -0.02 -0.04 3.22 3.25 2r9cA1 ARG 339 HD3 0.04 0.00 0.01 -0.04 3.22 3.23 2r9cA1 ASP 340 H 0.07 0.03 -0.25 -0.55 8.40 7.70 2r9cA1 ASP 340 HA 0.05 0.11 0.50 -0.75 4.63 4.53 2r9cA1 ASP 340 HB2 0.13 -0.01 0.13 -0.04 2.71 2.92 2r9cA1 ASP 340 HB3 0.04 0.02 0.01 -0.04 2.70 2.73 2r9cA1 PHE 341 H 0.08 0.60 -0.16 -0.55 8.34 8.30 2r9cA1 PHE 341 HA -0.07 -0.03 0.46 -0.75 4.62 4.22 2r9cA1 PHE 341 HB2 -0.12 -0.01 -0.02 -0.04 3.15 2.96 2r9cA1 PHE 341 HB3 -0.25 0.12 0.13 -0.04 3.06 3.02 2r9cA1 PHE 341 HD2 -0.49 0.01 -0.11 -0.04 7.28 6.65 2r9cA1 PHE 341 HE2 -0.43 -0.02 -0.14 -0.04 7.38 6.75 2r9cA1 PHE 341 HZ -0.13 0.00 -0.13 -0.04 7.32 7.03 2r9cA1 ILE 342 H -0.27 0.55 -0.16 -0.55 8.25 7.82 2r9cA1 ILE 342 HA -0.50 0.05 0.42 -0.75 4.18 3.39 2r9cA1 ILE 342 HB -0.21 0.14 0.10 -0.04 1.89 1.88 2r9cA1 ILE 342 HG12 -0.35 0.03 0.06 -0.04 1.49 1.19 2r9cA1 ILE 342 HG13 -0.16 0.10 -0.11 -0.04 1.21 0.99 2r9cA1 ILE 342 HG23 -0.60 -0.02 -0.04 -0.04 0.93 0.22 2r9cA1 ILE 342 HD13 -0.09 -0.02 -0.03 -0.04 0.88 0.69 2r9cA1 ARG 343 H -0.12 0.17 -0.42 -0.55 8.46 7.54 2r9cA1 ARG 343 HA -0.07 0.11 0.67 -0.75 4.34 4.30 2r9cA1 ARG 343 HB2 -0.02 0.02 0.11 -0.04 1.90 1.97 2r9cA1 ARG 343 HB3 -0.01 -0.00 0.18 -0.04 1.80 1.92 2r9cA1 ARG 343 HG2 -0.00 0.01 -0.15 -0.04 1.67 1.48 2r9cA1 ARG 343 HG3 -0.01 0.00 0.04 -0.04 1.67 1.67 2r9cA1 ARG 343 HD2 0.04 -0.02 -0.01 -0.04 3.22 3.18 2r9cA1 ARG 343 HD3 0.03 -0.02 0.00 -0.04 3.22 3.20 2r9cA1 GLU 344 H -0.12 0.50 0.03 -0.55 8.60 8.46 2r9cA1 GLU 344 HA -0.10 0.02 0.30 -0.75 4.29 3.75 2r9cA1 GLU 344 HB2 -0.19 0.01 0.10 -0.04 2.09 1.97 2r9cA1 GLU 344 HB3 -0.27 -0.11 -0.02 -0.04 1.99 1.56 2r9cA1 GLU 344 HG2 -0.04 0.12 0.09 -0.04 2.34 2.48 2r9cA1 GLU 344 HG3 -0.32 -0.09 -0.02 -0.04 2.34 1.87 2r9cA1 PHE 345 H -0.13 0.51 0.06 -0.55 8.34 8.22 2r9cA1 PHE 345 HA -0.18 0.03 0.70 -0.75 4.62 4.41 2r9cA1 PHE 345 HB2 -0.98 0.20 0.05 -0.04 3.15 2.38 2r9cA1 PHE 345 HB3 -0.36 -0.07 0.05 -0.04 3.06 2.64 2r9cA1 PHE 345 HD2 -0.20 -0.00 -0.09 -0.04 7.28 6.95 2r9cA1 PHE 345 HE2 -0.26 0.02 -0.13 -0.04 7.38 6.97 2r9cA1 PHE 345 HZ -0.97 0.00 -0.08 -0.04 7.32 6.23 2r9cA1 THR 346 H 0.05 0.43 0.50 -0.55 8.28 8.72 2r9cA1 THR 346 HA -0.01 0.29 1.08 -0.75 4.39 5.00 2r9cA1 THR 346 HB 0.04 -0.01 0.15 -0.04 4.32 4.46 2r9cA1 THR 346 HG23 -0.04 0.07 -0.06 -0.04 1.22 1.14 2r9cA1 LYS 347 H 0.13 0.32 0.39 -0.55 8.42 8.70 2r9cA1 LYS 347 HA 0.31 0.35 1.08 -0.75 4.32 5.32 2r9cA1 LYS 347 HB2 0.11 0.01 -0.14 -0.04 1.87 1.81 2r9cA1 LYS 347 HB3 0.11 -0.09 0.06 -0.04 1.79 1.83 2r9cA1 LYS 347 HG2 0.18 -0.04 -0.31 -0.04 1.46 1.25 2r9cA1 LYS 347 HG3 0.42 0.08 -0.02 -0.04 1.46 1.90 2r9cA1 LYS 347 HD2 -0.28 0.03 -0.09 -0.04 1.69 1.31 2r9cA1 LYS 347 HD3 -0.09 -0.06 -0.12 -0.04 1.68 1.37 2r9cA1 LYS 347 HE2 -0.13 -0.05 -0.13 -0.04 2.99 2.63 2r9cA1 LYS 347 HE3 -0.73 0.05 -0.09 -0.04 2.99 2.17 2r9cA1 LEU 348 H 0.37 0.50 0.37 -0.55 8.37 9.06 2r9cA1 LEU 348 HA 0.24 0.27 1.06 -0.75 4.35 5.17 2r9cA1 LEU 348 HB2 0.29 0.00 -0.04 -0.04 1.64 1.86 2r9cA1 LEU 348 HB3 0.31 -0.06 0.12 -0.04 1.64 1.96 2r9cA1 LEU 348 HG 0.25 0.02 -0.33 -0.04 1.64 1.54 2r9cA1 LEU 348 HD13 0.17 0.06 -0.02 -0.04 0.93 1.09 2r9cA1 LEU 348 HD23 0.02 -0.01 -0.12 -0.04 0.89 0.73 2r9cA1 GLU 349 H 0.25 0.84 0.40 -0.55 8.60 9.54 2r9cA1 GLU 349 HA 0.34 0.26 1.12 -0.75 4.29 5.26 2r9cA1 GLU 349 HB2 0.25 -0.05 0.07 -0.04 2.09 2.31 2r9cA1 GLU 349 HB3 0.27 0.02 -0.00 -0.04 1.99 2.24 2r9cA1 GLU 349 HG2 0.19 0.08 -0.11 -0.04 2.34 2.46 2r9cA1 GLU 349 HG3 0.17 -0.04 -0.32 -0.04 2.34 2.10 2r9cA1 ILE 350 H 0.27 0.70 0.36 -0.55 8.25 9.04 2r9cA1 ILE 350 HA 0.10 0.37 1.08 -0.75 4.18 4.98 2r9cA1 ILE 350 HB 0.21 -0.05 0.04 -0.04 1.89 2.05 2r9cA1 ILE 350 HG12 0.11 0.09 -0.20 -0.04 1.49 1.45 2r9cA1 ILE 350 HG13 0.30 -0.09 -0.40 -0.04 1.21 0.99 2r9cA1 ILE 350 HG23 0.02 0.01 -0.24 -0.04 0.93 0.68 2r9cA1 ILE 350 HD13 0.04 -0.00 -0.18 -0.04 0.88 0.70 2r9cA1 CYS 351 H -0.20 0.76 0.25 -0.55 8.50 8.76 2r9cA1 CYS 351 HA 0.05 0.28 0.91 -0.75 4.58 5.07 2r9cA1 CYS 351 HB2 0.20 -0.10 -0.12 -0.04 2.97 2.91 2r9cA1 CYS 351 HB3 -0.39 -0.02 0.11 -0.04 2.97 2.64 2r9cA1 ASN 352 H 0.01 0.67 0.24 -0.55 8.53 8.90 2r9cA1 ASN 352 HA -0.04 0.08 0.84 -0.75 4.76 4.89 2r9cA1 ASN 352 HB2 0.00 0.02 0.17 -0.04 2.88 3.03 2r9cA1 ASN 352 HB3 -0.01 0.13 0.03 -0.04 2.79 2.89 2r9cA1 ASN 352 HD21 0.04 -0.05 -0.08 -0.04 7.03 6.90 2r9cA1 ASN 352 HD22 0.03 0.03 -0.03 -0.04 7.74 7.73 2r9cA1 LEU 353 H -0.04 0.17 0.08 -0.55 8.37 8.04 2r9cA1 LEU 353 HA -0.03 0.19 0.91 -0.75 4.35 4.66 2r9cA1 LEU 353 HB2 -0.01 -0.24 0.19 -0.04 1.64 1.53 2r9cA1 LEU 353 HB3 -0.01 0.03 0.01 -0.04 1.64 1.63 2r9cA1 LEU 353 HG 0.00 0.02 0.00 -0.04 1.64 1.62 2r9cA1 LEU 353 HD13 -0.03 0.01 -0.10 -0.04 0.93 0.77 2r9cA1 LEU 353 HD23 -0.03 0.00 -0.11 -0.04 0.89 0.71 2r9cA1 THR 354 H -0.02 0.15 0.03 -0.55 8.28 7.89 2r9cA1 THR 354 HA -0.02 0.19 0.57 -0.75 4.39 4.37 2r9cA1 THR 354 HB -0.02 0.03 0.08 -0.04 4.32 4.38 2r9cA1 THR 354 HG23 -0.01 0.01 0.03 -0.04 1.22 1.21