============================================================================= 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 6 0.840 48.938 39.867 -18.094 -99.200 -91.000 TYR 11 0.840 36.820 36.527 -20.882 -99.200 -91.000 HIS 43 0.900 26.894 29.348 -78.025 -99.200 -91.000 TYR 64 0.840 24.603 27.757 -81.679 -99.200 -91.000 PHE 65 1.000 18.662 22.491 -76.114 -99.200 -91.000 PHE 75 1.000 17.452 16.938 -82.653 -99.200 -91.000 TYR 78 0.840 30.861 21.526 -82.828 -99.200 -91.000 TRP 88 1.040 29.473 23.235 -93.056 -99.200 -91.000 TRP6 88 1.020 29.033 21.692 -94.793 -99.200 -91.000 PHE 91 1.000 25.623 12.714 -90.003 -99.200 -91.000 PHE 101 1.000 31.372 6.193 -82.582 -99.200 -91.000 TRP 105 1.040 17.208 -0.244 -84.652 -99.200 -91.000 TRP6 105 1.020 18.116 0.058 -86.815 -99.200 -91.000 TYR 108 0.840 25.738 3.035 -84.006 -99.200 -91.000 PHE 112 1.000 27.187 5.642 -80.389 -99.200 -91.000 HIS 114 0.900 30.014 11.935 -73.120 -99.200 -91.000 PHE 123 1.000 28.941 14.873 -82.287 -99.200 -91.000 TRP 124 1.040 25.035 7.617 -84.807 -99.200 -91.000 TRP6 124 1.020 25.817 7.755 -87.036 -99.200 -91.000 HIS 131 0.900 13.418 10.296 -91.345 -99.200 -91.000 TYR 141 0.840 19.258 19.630 -94.437 -99.200 -91.000 TRP 150 1.040 46.475 7.678 -87.160 -99.200 -91.000 TRP6 150 1.020 46.295 7.889 -84.812 -99.200 -91.000 TYR 159 0.840 29.205 10.800-100.982 -99.200 -91.000 PHE 162 1.000 23.241 12.222 -95.429 -99.200 -91.000 TYR 171 0.840 16.339 5.298 -88.340 -99.200 -91.000 TYR 175 0.840 25.247 8.700-102.706 -99.200 -91.000 TYR 177 0.840 25.149 15.722-108.052 -99.200 -91.000 PHE 178 1.000 32.445 11.811-104.833 -99.200 -91.000 PHE 187 1.000 29.123 7.051 -97.925 -99.200 -91.000 PHE 190 1.000 39.276 0.736-103.798 -99.200 -91.000 PHE 192 1.000 37.799 -3.003-100.769 -99.200 -91.000 PHE 200 1.000 25.444 -5.448-106.946 -99.200 -91.000 PHE 201 1.000 27.374 -8.774-103.671 -99.200 -91.000 HIS 204 0.900 29.022 1.787 -97.443 -99.200 -91.000 PHE 209 1.000 23.047 2.854 -88.770 -99.200 -91.000 TRP 212 1.040 24.828 -5.639 -80.903 -99.200 -91.000 TRP6 212 1.020 23.830 -7.397 -79.675 -99.200 -91.000 PHE 219 1.000 28.362 -12.116 -95.015 -99.200 -91.000 TRP 231 1.040 28.918 2.339 -92.744 -99.200 -91.000 TRP6 231 1.020 29.318 4.580 -92.106 -99.200 -91.000 TRP 232 1.040 23.187 4.188 -93.438 -99.200 -91.000 TRP6 232 1.020 24.623 5.945 -92.768 -99.200 -91.000 HIS 237 0.900 33.553 -2.048 -93.922 -99.200 -91.000 HIS 240 0.900 33.361 -0.268 -90.316 -99.200 -91.000 TYR 245 0.840 41.097 6.615 -82.910 -99.200 -91.000 TYR 246 0.840 42.048 -1.764 -85.417 -99.200 -91.000 TYR 251 0.840 42.916 -1.981 -89.270 -99.200 -91.000 TYR 260 0.840 35.956 -11.728 -92.988 -99.200 -91.000 TRP 266 1.040 36.446 7.772 -98.089 -99.200 -91.000 TRP6 266 1.020 34.158 7.799 -97.489 -99.200 -91.000 TRP 269 1.040 42.853 10.423 -98.830 -99.200 -91.000 TRP6 269 1.020 43.219 10.825 -96.528 -99.200 -91.000 TRP 273 1.040 44.341 -5.011 -94.616 -99.200 -91.000 TRP6 273 1.020 43.016 -6.246 -93.095 -99.200 -91.000 TYR 274 0.840 46.341 5.150 -92.458 -99.200 -91.000 PHE 286 1.000 23.739 20.493-103.564 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3husC1 ASP 104 HA -0.00 -0.03 0.15 -0.75 4.63 3.99 3husC1 ASP 104 HB2 -0.00 0.03 0.07 -0.04 2.71 2.77 3husC1 ASP 104 HB3 -0.00 -0.02 0.17 -0.04 2.70 2.81 3husC1 SER 105 H -0.00 0.18 0.02 -0.55 8.46 8.12 3husC1 SER 105 HA 0.01 0.09 0.85 -0.75 4.49 4.69 3husC1 SER 105 HB2 0.02 0.05 0.11 -0.04 3.95 4.09 3husC1 SER 105 HB3 0.01 0.03 0.03 -0.04 3.93 3.96 3husC1 SER 106 H 0.01 0.29 -0.05 -0.55 8.46 8.16 3husC1 SER 106 HA -0.01 0.13 0.69 -0.75 4.49 4.55 3husC1 SER 106 HB2 0.02 -0.01 0.06 -0.04 3.95 3.98 3husC1 SER 106 HB3 0.02 -0.01 0.07 -0.04 3.93 3.97 3husC1 ILE 107 H 0.03 0.08 0.01 -0.55 8.25 7.83 3husC1 ILE 107 HA 0.07 0.10 0.72 -0.75 4.18 4.32 3husC1 ILE 107 HB 0.02 0.08 0.04 -0.04 1.89 1.99 3husC1 ILE 107 HG12 0.02 0.05 0.01 -0.04 1.49 1.52 3husC1 ILE 107 HG13 0.02 -0.09 0.12 -0.04 1.21 1.21 3husC1 ILE 107 HG23 0.01 -0.06 0.12 -0.04 0.93 0.96 3husC1 ILE 107 HD13 0.01 0.03 0.04 -0.04 0.88 0.92 3husC1 ARG 108 H 0.02 0.17 0.13 -0.55 8.46 8.23 3husC1 ARG 108 HA 0.02 0.01 0.40 -0.75 4.34 4.01 3husC1 ARG 108 HB2 0.05 0.31 0.19 -0.04 1.90 2.41 3husC1 ARG 108 HB3 0.03 0.02 0.09 -0.04 1.80 1.91 3husC1 ARG 108 HG2 0.01 -0.01 0.03 -0.04 1.67 1.66 3husC1 ARG 108 HG3 0.02 -0.06 -0.22 -0.04 1.67 1.36 3husC1 ARG 108 HD2 0.02 0.01 -0.00 -0.04 3.22 3.20 3husC1 ARG 108 HD3 0.01 0.02 -0.02 -0.04 3.22 3.18 3husC1 TYR 109 H 0.17 0.52 -1.14 -0.55 8.29 7.29 3husC1 TYR 109 HA 0.01 0.12 0.62 -0.75 4.56 4.56 3husC1 TYR 109 HB2 0.01 0.08 0.06 -0.04 3.06 3.17 3husC1 TYR 109 HB3 0.01 0.22 -0.02 -0.04 2.98 3.15 3husC1 TYR 109 HD2 0.01 0.05 0.00 -0.04 7.15 7.17 3husC1 TYR 109 HE2 0.01 0.01 -0.02 -0.04 6.85 6.81 3husC1 LEU 110 H 0.04 0.08 -0.11 -0.55 8.37 7.83 3husC1 LEU 110 HA -0.26 0.16 0.56 -0.75 4.35 4.06 3husC1 LEU 110 HB2 -0.01 -0.11 0.10 -0.04 1.64 1.57 3husC1 LEU 110 HB3 -0.04 0.06 0.01 -0.04 1.64 1.63 3husC1 LEU 110 HG -0.02 0.05 0.04 -0.04 1.64 1.66 3husC1 LEU 110 HD13 0.13 -0.01 0.07 -0.04 0.93 1.08 3husC1 LEU 110 HD23 0.01 0.02 0.01 -0.04 0.89 0.89 3husC1 GLN 111 H -0.02 0.00 -0.42 -0.55 8.47 7.49 3husC1 GLN 111 HA 0.04 0.10 0.57 -0.75 4.36 4.31 3husC1 GLN 111 HB2 0.01 0.18 0.15 -0.04 2.15 2.45 3husC1 GLN 111 HB3 0.03 0.06 0.02 -0.04 2.02 2.08 3husC1 GLN 111 HG2 -0.10 0.05 0.04 -0.04 2.40 2.35 3husC1 GLN 111 HG3 -0.05 -0.15 0.05 -0.04 2.39 2.21 3husC1 GLN 111 HE21 -0.03 0.04 0.02 -0.04 6.97 6.96 3husC1 GLN 111 HE22 -0.07 0.01 0.02 -0.04 7.69 7.60 3husC1 GLU 112 H -0.04 0.26 -0.37 -0.55 8.60 7.92 3husC1 GLU 112 HA 0.01 0.07 0.50 -0.75 4.29 4.12 3husC1 GLU 112 HB2 -0.06 0.19 0.18 -0.04 2.09 2.37 3husC1 GLU 112 HB3 -0.00 -0.00 0.03 -0.04 1.99 1.98 3husC1 GLU 112 HG2 0.03 -0.02 0.05 -0.04 2.34 2.36 3husC1 GLU 112 HG3 0.04 0.20 0.14 -0.04 2.34 2.68 3husC1 ILE 113 H -0.16 0.30 -0.22 -0.55 8.25 7.62 3husC1 ILE 113 HA -0.07 0.11 0.61 -0.75 4.18 4.08 3husC1 ILE 113 HB -0.12 0.07 0.06 -0.04 1.89 1.86 3husC1 ILE 113 HG12 -0.23 0.00 0.02 -0.04 1.49 1.24 3husC1 ILE 113 HG13 -0.44 0.14 0.13 -0.04 1.21 1.00 3husC1 ILE 113 HG23 -0.06 -0.00 0.01 -0.04 0.93 0.84 3husC1 ILE 113 HD13 -0.58 -0.02 -0.00 -0.04 0.88 0.24 3husC1 TYR 114 H 0.08 0.33 -0.26 -0.55 8.29 7.88 3husC1 TYR 114 HA -0.04 0.05 0.54 -0.75 4.56 4.36 3husC1 TYR 114 HB2 -0.04 0.08 0.16 -0.04 3.06 3.22 3husC1 TYR 114 HB3 -0.04 0.05 0.23 -0.04 2.98 3.19 3husC1 TYR 114 HD2 -0.02 0.03 -0.04 -0.04 7.15 7.08 3husC1 TYR 114 HE2 -0.01 0.02 -0.01 -0.04 6.85 6.80 3husC1 ASN 115 H 0.07 0.63 -0.13 -0.55 8.53 8.56 3husC1 ASN 115 HA -0.09 0.03 0.59 -0.75 4.76 4.53 3husC1 ASN 115 HB2 0.02 0.10 0.16 -0.04 2.88 3.12 3husC1 ASN 115 HB3 -0.00 -0.02 0.03 -0.04 2.79 2.76 3husC1 ASN 115 HD21 0.05 -0.02 0.00 -0.04 7.03 7.02 3husC1 ASN 115 HD22 0.02 0.00 0.01 -0.04 7.74 7.74 3husC1 SER 116 H -0.04 0.25 -0.43 -0.55 8.46 7.70 3husC1 SER 116 HA -0.04 0.06 0.59 -0.75 4.49 4.34 3husC1 SER 116 HB2 -0.03 0.11 0.17 -0.04 3.95 4.15 3husC1 SER 116 HB3 -0.04 0.07 0.18 -0.04 3.93 4.10 3husC1 ASN 117 H -0.10 0.44 -0.19 -0.55 8.53 8.13 3husC1 ASN 117 HA -0.07 0.07 0.59 -0.75 4.76 4.60 3husC1 ASN 117 HB2 -0.16 0.06 0.26 -0.04 2.88 2.99 3husC1 ASN 117 HB3 -0.11 -0.04 0.01 -0.04 2.79 2.61 3husC1 ASN 117 HD21 -0.01 -0.03 -0.04 -0.04 7.03 6.91 3husC1 ASN 117 HD22 -0.00 -0.03 -0.01 -0.04 7.74 7.65 3husC1 ASN 118 H -0.29 0.68 0.05 -0.55 8.53 8.42 3husC1 ASN 118 HA -0.17 0.02 0.44 -0.75 4.76 4.30 3husC1 ASN 118 HB2 -0.30 0.11 0.21 -0.04 2.88 2.86 3husC1 ASN 118 HB3 -0.16 -0.01 -0.01 -0.04 2.79 2.58 3husC1 ASN 118 HD21 -0.23 -0.02 0.01 -0.04 7.03 6.74 3husC1 ASN 118 HD22 -0.20 -0.00 0.01 -0.04 7.74 7.50 3husC1 GLN 119 H -0.10 0.43 -0.31 -0.55 8.47 7.94 3husC1 GLN 119 HA -0.05 0.02 0.53 -0.75 4.36 4.11 3husC1 GLN 119 HB2 -0.04 0.11 0.16 -0.04 2.15 2.33 3husC1 GLN 119 HB3 -0.04 0.10 0.11 -0.04 2.02 2.14 3husC1 GLN 119 HG2 -0.02 0.01 0.01 -0.04 2.40 2.36 3husC1 GLN 119 HG3 -0.03 -0.03 -0.09 -0.04 2.39 2.21 3husC1 GLN 119 HE21 -0.02 -0.01 0.02 -0.04 6.97 6.92 3husC1 GLN 119 HE22 -0.02 0.05 0.04 -0.04 7.69 7.72 3husC1 LYS 120 H -0.06 0.36 -0.35 -0.55 8.42 7.81 3husC1 LYS 120 HA -0.03 0.02 0.52 -0.75 4.32 4.08 3husC1 LYS 120 HB2 -0.04 0.25 0.22 -0.04 1.87 2.26 3husC1 LYS 120 HB3 -0.04 0.05 0.11 -0.04 1.79 1.87 3husC1 LYS 120 HG2 -0.02 -0.04 0.05 -0.04 1.46 1.40 3husC1 LYS 120 HG3 -0.02 -0.03 0.08 -0.04 1.46 1.45 3husC1 LYS 120 HD2 -0.02 0.00 0.01 -0.04 1.69 1.64 3husC1 LYS 120 HD3 -0.02 -0.03 0.01 -0.04 1.68 1.60 3husC1 LYS 120 HE2 -0.02 -0.03 0.01 -0.04 2.99 2.92 3husC1 LYS 120 HE3 -0.02 0.11 0.03 -0.04 2.99 3.06 3husC1 ILE 121 H -0.06 0.44 -0.18 -0.55 8.25 7.90 3husC1 ILE 121 HA -0.03 0.06 0.64 -0.75 4.18 4.09 3husC1 ILE 121 HB -0.07 0.08 0.15 -0.04 1.89 2.01 3husC1 ILE 121 HG12 -0.04 -0.04 0.01 -0.04 1.49 1.38 3husC1 ILE 121 HG13 -0.06 0.13 -0.00 -0.04 1.21 1.24 3husC1 ILE 121 HG23 -0.03 -0.02 -0.06 -0.04 0.93 0.78 3husC1 ILE 121 HD13 -0.08 -0.03 -0.12 -0.04 0.88 0.60 3husC1 VAL 122 H -0.05 0.51 -0.08 -0.55 8.24 8.07 3husC1 VAL 122 HA -0.03 0.03 0.46 -0.75 4.13 3.84 3husC1 VAL 122 HB -0.03 0.11 0.23 -0.04 2.12 2.38 3husC1 VAL 122 HG13 -0.02 -0.01 -0.09 -0.04 0.97 0.80 3husC1 VAL 122 HG23 -0.03 0.04 0.07 -0.04 0.95 0.99 3husC1 ASN 123 H -0.03 0.46 -0.11 -0.55 8.53 8.31 3husC1 ASN 123 HA -0.01 0.06 0.54 -0.75 4.76 4.59 3husC1 ASN 123 HB2 -0.01 -0.03 0.08 -0.04 2.88 2.88 3husC1 ASN 123 HB3 -0.02 0.02 0.10 -0.04 2.79 2.85 3husC1 ASN 123 HD21 -0.02 -0.09 -0.05 -0.04 7.03 6.83 3husC1 ASN 123 HD22 -0.02 -0.04 0.02 -0.04 7.74 7.66 3husC1 LEU 124 H -0.02 0.30 -0.44 -0.55 8.37 7.66 3husC1 LEU 124 HA -0.01 0.04 0.57 -0.75 4.35 4.20 3husC1 LEU 124 HB2 -0.02 0.22 0.21 -0.04 1.64 2.02 3husC1 LEU 124 HB3 -0.02 0.11 0.20 -0.04 1.64 1.88 3husC1 LEU 124 HG -0.01 -0.05 -0.10 -0.04 1.64 1.43 3husC1 LEU 124 HD13 -0.01 -0.01 0.05 -0.04 0.93 0.91 3husC1 LEU 124 HD23 -0.01 -0.00 0.01 -0.04 0.89 0.84 3husC1 LYS 125 H -0.02 0.51 -0.13 -0.55 8.42 8.24 3husC1 LYS 125 HA -0.01 0.02 0.49 -0.75 4.32 4.07 3husC1 LYS 125 HB2 -0.01 0.20 0.16 -0.04 1.87 2.17 3husC1 LYS 125 HB3 -0.01 -0.04 0.05 -0.04 1.79 1.75 3husC1 LYS 125 HG2 -0.01 -0.05 0.06 -0.04 1.46 1.41 3husC1 LYS 125 HG3 -0.02 0.20 0.12 -0.04 1.46 1.72 3husC1 LYS 125 HD2 -0.02 0.01 0.02 -0.04 1.69 1.66 3husC1 LYS 125 HD3 -0.01 -0.03 0.02 -0.04 1.68 1.62 3husC1 LYS 125 HE2 -0.01 -0.02 0.00 -0.04 2.99 2.92 3husC1 LYS 125 HE3 -0.02 0.01 -0.03 -0.04 2.99 2.91 3husC1 GLU 126 H -0.01 0.28 -0.36 -0.55 8.60 7.95 3husC1 GLU 126 HA -0.01 0.06 0.57 -0.75 4.29 4.16 3husC1 GLU 126 HB2 -0.01 0.18 0.15 -0.04 2.09 2.36 3husC1 GLU 126 HB3 -0.01 -0.03 0.04 -0.04 1.99 1.96 3husC1 GLU 126 HG2 -0.01 -0.03 0.04 -0.04 2.34 2.30 3husC1 GLU 126 HG3 -0.01 0.17 0.08 -0.04 2.34 2.54 3husC1 LYS 127 H -0.01 0.37 -0.21 -0.55 8.42 8.02 3husC1 LYS 127 HA -0.01 0.06 0.62 -0.75 4.32 4.24 3husC1 LYS 127 HB2 -0.01 0.13 0.21 -0.04 1.87 2.16 3husC1 LYS 127 HB3 -0.01 -0.04 0.06 -0.04 1.79 1.76 3husC1 LYS 127 HG2 -0.01 -0.04 0.04 -0.04 1.46 1.41 3husC1 LYS 127 HG3 -0.01 0.21 0.10 -0.04 1.46 1.72 3husC1 LYS 127 HD2 -0.01 -0.02 -0.02 -0.04 1.69 1.61 3husC1 LYS 127 HD3 -0.01 -0.00 0.02 -0.04 1.68 1.65 3husC1 LYS 127 HE2 -0.01 -0.01 0.01 -0.04 2.99 2.94 3husC1 LYS 127 HE3 -0.01 -0.02 0.00 -0.04 2.99 2.93 3husC1 VAL 128 H -0.01 0.47 -0.11 -0.55 8.24 8.04 3husC1 VAL 128 HA -0.01 0.05 0.59 -0.75 4.13 4.01 3husC1 VAL 128 HB -0.01 0.08 0.18 -0.04 2.12 2.33 3husC1 VAL 128 HG13 -0.01 -0.01 -0.06 -0.04 0.97 0.86 3husC1 VAL 128 HG23 -0.01 0.06 0.02 -0.04 0.95 0.98 3husC1 ALA 129 H -0.01 0.43 -0.23 -0.55 8.40 8.05 3husC1 ALA 129 HA -0.00 0.04 0.52 -0.75 4.34 4.14 3husC1 ALA 129 HB3 -0.01 0.04 0.13 -0.04 1.41 1.53 3husC1 GLN 130 H -0.01 0.30 -0.34 -0.55 8.47 7.87 3husC1 GLN 130 HA -0.00 0.05 0.56 -0.75 4.36 4.22 3husC1 GLN 130 HB2 -0.00 0.09 0.20 -0.04 2.15 2.39 3husC1 GLN 130 HB3 -0.00 -0.03 0.00 -0.04 2.02 1.95 3husC1 GLN 130 HG2 -0.00 -0.04 0.06 -0.04 2.40 2.37 3husC1 GLN 130 HG3 -0.00 0.16 0.08 -0.04 2.39 2.59 3husC1 GLN 130 HE21 -0.00 -0.02 0.00 -0.04 6.97 6.90 3husC1 GLN 130 HE22 -0.00 -0.01 0.01 -0.04 7.69 7.65 3husC1 LEU 131 H -0.00 0.33 -0.31 -0.55 8.37 7.84 3husC1 LEU 131 HA -0.00 0.03 0.49 -0.75 4.35 4.12 3husC1 LEU 131 HB2 -0.00 0.08 0.16 -0.04 1.64 1.83 3husC1 LEU 131 HB3 -0.00 0.13 0.15 -0.04 1.64 1.88 3husC1 LEU 131 HG -0.00 -0.01 -0.07 -0.04 1.64 1.52 3husC1 LEU 131 HD13 -0.00 -0.01 0.03 -0.04 0.93 0.90 3husC1 LEU 131 HD23 -0.00 -0.01 -0.00 -0.04 0.89 0.84 3husC1 GLU 132 H -0.00 0.34 -0.29 -0.55 8.60 8.10 3husC1 GLU 132 HA -0.00 0.06 0.38 -0.75 4.29 3.97 3husC1 GLU 132 HB2 -0.00 0.08 0.14 -0.04 2.09 2.26 3husC1 GLU 132 HB3 -0.00 0.11 0.08 -0.04 1.99 2.13 3husC1 GLU 132 HG2 -0.00 0.01 -0.08 -0.04 2.34 2.23 3husC1 GLU 132 HG3 -0.00 -0.01 0.04 -0.04 2.34 2.32 3husC1 ALA 133 H -0.00 0.28 -0.36 -0.55 8.40 7.77 3husC1 ALA 133 HA -0.00 0.05 0.36 -0.75 4.34 4.00 3husC1 ALA 133 HB3 -0.00 0.03 0.07 -0.04 1.41 1.47 3husC1 GLN 134 H -0.00 0.29 -0.33 -0.55 8.47 7.88 3husC1 GLN 134 HA -0.00 0.07 0.62 -0.75 4.36 4.29 3husC1 GLN 134 HB2 -0.00 0.01 0.09 -0.04 2.15 2.21 3husC1 GLN 134 HB3 -0.00 0.10 0.07 -0.04 2.02 2.15 3husC1 GLN 134 HG2 -0.00 -0.03 0.04 -0.04 2.40 2.37 3husC1 GLN 134 HG3 -0.00 -0.01 0.08 -0.04 2.39 2.42 3husC1 GLN 134 HE21 -0.00 -0.02 0.06 -0.04 6.97 6.97 3husC1 GLN 134 HE22 -0.00 -0.00 0.10 -0.04 7.69 7.74 3husC1 CYS 135 H -0.00 0.31 -0.49 -0.55 8.50 7.77 3husC1 CYS 135 HA -0.00 0.13 0.83 -0.75 4.58 4.78 3husC1 CYS 135 HB2 -0.00 0.04 0.18 -0.04 2.97 3.14 3husC1 CYS 135 HB3 -0.00 -0.05 0.16 -0.04 2.97 3.03 3husC1 GLN 136 H -0.00 0.06 -0.37 -0.55 8.47 7.61 3husC1 GLN 136 HA -0.00 0.17 0.88 -0.75 4.36 4.65 3husC1 GLN 136 HB2 -0.00 0.03 0.02 -0.04 2.15 2.16 3husC1 GLN 136 HB3 -0.00 -0.08 0.04 -0.04 2.02 1.94 3husC1 GLN 136 HG2 -0.00 0.15 -0.18 -0.04 2.40 2.32 3husC1 GLN 136 HG3 -0.00 -0.07 0.01 -0.04 2.39 2.29 3husC1 GLN 136 HE21 -0.00 -0.06 -0.00 -0.04 6.97 6.87 3husC1 GLN 136 HE22 -0.00 -0.04 -0.00 -0.04 7.69 7.61 3husC1 GLU 137 H -0.00 -0.00 0.05 -0.55 8.60 8.09 3husC1 GLU 137 HA -0.00 0.08 0.47 -0.75 4.29 4.07 3husC1 GLU 137 HB2 -0.00 0.00 0.10 -0.04 2.09 2.15 3husC1 GLU 137 HB3 -0.00 0.11 0.08 -0.04 1.99 2.13 3husC1 GLU 137 HG2 -0.00 -0.06 0.05 -0.04 2.34 2.29 3husC1 GLU 137 HG3 -0.00 0.00 0.06 -0.04 2.34 2.36 3husC1 PRO 138 HA -0.00 0.13 0.68 -0.51 4.44 4.73 3husC1 PRO 138 HB2 -0.00 0.05 0.07 -0.04 2.28 2.35 3husC1 PRO 138 HB3 -0.00 0.03 0.11 -0.04 2.02 2.11 3husC1 PRO 138 HG2 -0.01 0.02 -0.05 -0.04 2.03 1.96 3husC1 PRO 138 HG3 -0.00 0.02 0.05 -0.04 2.03 2.06 3husC1 PRO 138 HD2 -0.01 0.04 0.20 -0.04 3.68 3.87 3husC1 PRO 138 HD3 -0.00 0.19 0.18 -0.04 3.65 3.97 3husC1 CYS 139 H -0.00 0.08 0.10 -0.55 8.50 8.13 3husC1 CYS 139 HA -0.01 0.07 0.50 -0.75 4.58 4.39 3husC1 CYS 139 HB2 -0.01 -0.03 0.10 -0.04 2.97 2.99 3husC1 CYS 139 HB3 -0.01 0.03 -0.06 -0.04 2.97 2.90 3husC1 LYS 140 H -0.01 0.11 0.14 -0.55 8.42 8.11 3husC1 LYS 140 HA -0.01 0.06 0.37 -0.75 4.32 3.99 3husC1 LYS 140 HB2 -0.01 0.03 0.13 -0.04 1.87 1.98 3husC1 LYS 140 HB3 -0.01 -0.05 0.12 -0.04 1.79 1.81 3husC1 LYS 140 HG2 -0.01 -0.03 -0.05 -0.04 1.46 1.33 3husC1 LYS 140 HG3 -0.01 0.09 -0.15 -0.04 1.46 1.35 3husC1 LYS 140 HD2 -0.01 0.02 -0.01 -0.04 1.69 1.65 3husC1 LYS 140 HD3 -0.01 -0.00 0.00 -0.04 1.68 1.63 3husC1 LYS 140 HE2 -0.01 -0.01 -0.01 -0.04 2.99 2.92 3husC1 LYS 140 HE3 -0.01 -0.03 -0.02 -0.04 2.99 2.89 3husC1 ASP 141 H -0.01 0.19 0.21 -0.55 8.40 8.24 3husC1 ASP 141 HA -0.01 0.02 0.62 -0.75 4.63 4.50 3husC1 ASP 141 HB2 -0.01 0.07 0.14 -0.04 2.71 2.87 3husC1 ASP 141 HB3 -0.02 0.09 0.12 -0.04 2.70 2.85 3husC1 THR 142 H -0.02 0.12 0.18 -0.55 8.28 8.01 3husC1 THR 142 HA -0.02 0.14 0.46 -0.75 4.39 4.22 3husC1 THR 142 HB -0.01 -0.01 0.04 -0.04 4.32 4.30 3husC1 THR 142 HG23 -0.01 0.03 0.03 -0.04 1.22 1.22 3husC1 VAL 143 H -0.02 0.01 -0.09 -0.55 8.24 7.58 3husC1 VAL 143 HA -0.03 0.03 0.58 -0.75 4.13 3.95 3husC1 VAL 143 HB -0.02 0.00 0.12 -0.04 2.12 2.17 3husC1 VAL 143 HG13 -0.03 0.00 -0.11 -0.04 0.97 0.79 3husC1 VAL 143 HG23 -0.02 -0.02 0.05 -0.04 0.95 0.92 3husC1 GLN 144 H -0.08 0.19 0.23 -0.55 8.47 8.26 3husC1 GLN 144 HA -0.09 0.15 0.85 -0.75 4.36 4.52 3husC1 GLN 144 HB2 -0.17 -0.02 0.04 -0.04 2.15 1.96 3husC1 GLN 144 HB3 -0.19 0.03 -0.09 -0.04 2.02 1.73 3husC1 GLN 144 HG2 -0.07 0.01 -0.07 -0.04 2.40 2.24 3husC1 GLN 144 HG3 -0.06 0.07 -0.56 -0.04 2.39 1.80 3husC1 GLN 144 HE21 -0.04 -0.06 -0.03 -0.04 6.97 6.80 3husC1 GLN 144 HE22 -0.04 0.13 -0.05 -0.04 7.69 7.69 3husC1 ILE 145 H -0.09 0.17 0.10 -0.55 8.25 7.88 3husC1 ILE 145 HA -0.16 0.13 0.77 -0.75 4.18 4.16 3husC1 ILE 145 HB 0.03 -0.01 0.05 -0.04 1.89 1.93 3husC1 ILE 145 HG12 -0.11 -0.00 -0.13 -0.04 1.49 1.21 3husC1 ILE 145 HG13 -0.05 -0.09 -0.10 -0.04 1.21 0.93 3husC1 ILE 145 HG23 0.03 0.06 -0.17 -0.04 0.93 0.80 3husC1 ILE 145 HD13 0.10 0.01 -0.06 -0.04 0.88 0.89 3husC1 HIS 146 H -0.22 0.47 0.29 -0.55 8.41 8.40 3husC1 HIS 146 HA -0.11 0.05 0.55 -0.75 4.63 4.37 3husC1 HIS 146 HB2 -0.98 0.10 0.14 -0.04 3.26 2.48 3husC1 HIS 146 HB3 -0.17 -0.13 0.09 -0.04 3.20 2.95 3husC1 HIS 146 HD2 -0.06 -0.03 0.01 -0.04 6.97 6.85 3husC1 HIS 146 HE1 -0.11 -0.02 0.02 -0.04 7.75 7.60 3husC1 ASP 147 H 0.08 0.09 0.16 -0.55 8.40 8.19 3husC1 ASP 147 HA 0.07 0.14 0.31 -0.75 4.63 4.39 3husC1 ASP 147 HB2 0.05 -0.03 0.08 -0.04 2.71 2.78 3husC1 ASP 147 HB3 0.04 0.01 0.05 -0.04 2.70 2.76 3husC1 ILE 148 H 0.18 -0.03 -0.16 -0.55 8.25 7.69 3husC1 ILE 148 HA 0.09 0.07 0.42 -0.75 4.18 4.00 3husC1 ILE 148 HB 0.25 -0.04 0.01 -0.04 1.89 2.07 3husC1 ILE 148 HG12 0.07 0.07 -0.10 -0.04 1.49 1.48 3husC1 ILE 148 HG13 0.09 0.00 -0.05 -0.04 1.21 1.20 3husC1 ILE 148 HG23 0.03 0.02 -0.09 -0.04 0.93 0.84 3husC1 ILE 148 HD13 0.17 -0.04 -0.00 -0.04 0.88 0.97 3husC1 THR 149 H 0.05 0.19 0.24 -0.55 8.28 8.22 3husC1 THR 149 HA 0.09 0.28 0.90 -0.75 4.39 4.91 3husC1 THR 149 HB 0.10 0.03 -0.10 -0.04 4.32 4.30 3husC1 THR 149 HG23 0.01 -0.01 -0.03 -0.04 1.22 1.15 3husC1 GLY 150 H -0.00 0.35 0.19 -0.55 8.43 8.41 3husC1 GLY 150 HA2 -0.02 0.14 0.38 -0.51 4.01 4.00 3husC1 GLY 150 HA3 -0.03 -0.04 0.28 -0.51 4.01 3.71 3husC1 LYS 151 H -0.03 0.08 0.12 -0.55 8.42 8.04 3husC1 LYS 151 HA -0.02 0.31 0.43 -0.75 4.32 4.28 3husC1 LYS 151 HB2 -0.00 -0.15 0.18 -0.04 1.87 1.86 3husC1 LYS 151 HB3 0.02 0.04 0.03 -0.04 1.79 1.84 3husC1 LYS 151 HG2 0.00 0.04 0.07 -0.04 1.46 1.53 3husC1 LYS 151 HG3 -0.01 0.00 0.05 -0.04 1.46 1.46 3husC1 LYS 151 HD2 -0.01 0.05 0.04 -0.04 1.69 1.73 3husC1 LYS 151 HD3 -0.01 -0.05 0.07 -0.04 1.68 1.64 3husC1 LYS 151 HE2 0.01 -0.01 0.05 -0.04 2.99 3.00 3husC1 LYS 151 HE3 -0.00 0.02 0.03 -0.04 2.99 3.00 3husC1 ASP 152 H -0.02 -0.05 0.07 -0.55 8.40 7.85 3husC1 ASP 152 HA -0.01 0.30 0.51 -0.75 4.63 4.67 3husC1 ASP 152 HB2 0.09 -0.10 0.21 -0.04 2.71 2.87 3husC1 ASP 152 HB3 0.11 0.23 -0.01 -0.04 2.70 2.98 3husC1 CYS 153 H 0.00 0.25 0.06 -0.55 8.50 8.26 3husC1 CYS 153 HA -0.17 0.15 0.41 -0.75 4.58 4.22 3husC1 CYS 153 HB2 -0.02 0.09 -0.43 -0.04 2.97 2.57 3husC1 CYS 153 HB3 -0.12 -0.02 -0.22 -0.04 2.97 2.57 3husC1 GLN 154 H -0.06 0.07 -0.07 -0.55 8.47 7.86 3husC1 GLN 154 HA -0.14 0.12 0.66 -0.75 4.36 4.24 3husC1 GLN 154 HB2 -0.18 0.15 0.24 -0.04 2.15 2.33 3husC1 GLN 154 HB3 -0.11 -0.06 0.14 -0.04 2.02 1.95 3husC1 GLN 154 HG2 -0.18 0.01 0.06 -0.04 2.40 2.24 3husC1 GLN 154 HG3 -0.13 0.02 -0.14 -0.04 2.39 2.10 3husC1 GLN 154 HE21 -0.12 0.42 0.11 -0.04 6.97 7.34 3husC1 GLN 154 HE22 -0.11 -0.05 0.01 -0.04 7.69 7.50 3husC1 ASP 155 H -0.07 -0.02 -0.18 -0.55 8.40 7.59 3husC1 ASP 155 HA -0.07 0.16 0.46 -0.75 4.63 4.44 3husC1 ASP 155 HB2 -0.04 0.02 0.14 -0.04 2.71 2.79 3husC1 ASP 155 HB3 -0.04 -0.05 0.11 -0.04 2.70 2.67 3husC1 ILE 156 H -0.12 0.23 -0.43 -0.55 8.25 7.39 3husC1 ILE 156 HA -0.09 0.13 0.41 -0.75 4.18 3.87 3husC1 ILE 156 HB -0.28 0.03 -0.01 -0.04 1.89 1.59 3husC1 ILE 156 HG12 -0.05 0.00 -0.49 -0.04 1.49 0.92 3husC1 ILE 156 HG13 -0.08 -0.08 -0.25 -0.04 1.21 0.76 3husC1 ILE 156 HG23 -0.48 -0.00 -0.26 -0.04 0.93 0.15 3husC1 ILE 156 HD13 -0.06 0.03 -0.19 -0.04 0.88 0.62 3husC1 ALA 157 H -0.16 0.32 -0.30 -0.55 8.40 7.71 3husC1 ALA 157 HA -0.13 0.08 0.41 -0.75 4.34 3.94 3husC1 ALA 157 HB3 -0.13 0.02 -0.03 -0.04 1.41 1.24 3husC1 ASN 158 H -0.09 0.28 -0.37 -0.55 8.53 7.80 3husC1 ASN 158 HA -0.06 0.11 0.56 -0.75 4.76 4.61 3husC1 ASN 158 HB2 -0.06 0.05 0.10 -0.04 2.88 2.93 3husC1 ASN 158 HB3 -0.05 -0.03 0.04 -0.04 2.79 2.71 3husC1 ASN 158 HD21 -0.08 -0.07 -0.05 -0.04 7.03 6.79 3husC1 ASN 158 HD22 -0.06 -0.06 -0.02 -0.04 7.74 7.56 3husC1 LYS 159 H -0.06 0.18 -0.42 -0.55 8.42 7.56 3husC1 LYS 159 HA -0.03 0.07 0.51 -0.75 4.32 4.11 3husC1 LYS 159 HB2 -0.04 0.08 0.15 -0.04 1.87 2.03 3husC1 LYS 159 HB3 -0.01 -0.06 0.02 -0.04 1.79 1.70 3husC1 LYS 159 HG2 -0.02 -0.03 0.05 -0.04 1.46 1.42 3husC1 LYS 159 HG3 -0.04 0.18 0.09 -0.04 1.46 1.65 3husC1 LYS 159 HD2 -0.02 0.02 0.01 -0.04 1.69 1.66 3husC1 LYS 159 HD3 -0.01 -0.06 0.06 -0.04 1.68 1.63 3husC1 LYS 159 HE2 -0.01 0.06 0.10 -0.04 2.99 3.10 3husC1 LYS 159 HE3 -0.01 -0.04 0.04 -0.04 2.99 2.93 3husC1 GLY 160 H -0.05 0.12 -0.21 -0.55 8.43 7.75 3husC1 GLY 160 HA2 -0.02 0.06 0.12 -0.51 4.01 3.66 3husC1 GLY 160 HA3 -0.01 0.13 0.80 -0.51 4.01 4.42 3husC1 ALA 161 H -0.06 0.18 0.12 -0.55 8.40 8.10 3husC1 ALA 161 HA 0.01 0.02 0.57 -0.75 4.34 4.19 3husC1 ALA 161 HB3 -0.09 -0.00 -0.09 -0.04 1.41 1.18 3husC1 LYS 162 H -0.00 -0.02 0.18 -0.55 8.42 8.03 3husC1 LYS 162 HA -0.03 0.20 0.89 -0.75 4.32 4.63 3husC1 LYS 162 HB2 0.00 -0.05 0.10 -0.04 1.87 1.88 3husC1 LYS 162 HB3 -0.00 -0.01 -0.02 -0.04 1.79 1.72 3husC1 LYS 162 HG2 -0.01 0.15 -0.30 -0.04 1.46 1.26 3husC1 LYS 162 HG3 0.00 -0.02 -0.04 -0.04 1.46 1.37 3husC1 LYS 162 HD2 -0.01 -0.04 -0.03 -0.04 1.69 1.57 3husC1 LYS 162 HD3 -0.02 0.04 -0.09 -0.04 1.68 1.57 3husC1 LYS 162 HE2 -0.01 -0.01 -0.07 -0.04 2.99 2.86 3husC1 LYS 162 HE3 -0.01 0.08 -0.15 -0.04 2.99 2.87 3husC1 GLN 163 H -0.01 -0.02 0.15 -0.55 8.47 8.04 3husC1 GLN 163 HA 0.01 0.19 0.71 -0.75 4.36 4.51 3husC1 GLN 163 HB2 0.03 0.10 0.09 -0.04 2.15 2.33 3husC1 GLN 163 HB3 0.03 -0.01 0.07 -0.04 2.02 2.06 3husC1 GLN 163 HG2 0.00 -0.09 0.08 -0.04 2.40 2.35 3husC1 GLN 163 HG3 -0.13 -0.00 -0.16 -0.04 2.39 2.06 3husC1 GLN 163 HE21 0.14 -0.02 -0.01 -0.04 6.97 7.04 3husC1 GLN 163 HE22 0.10 0.19 -0.07 -0.04 7.69 7.87 3husC1 SER 164 H 0.02 0.15 0.23 -0.55 8.46 8.32 3husC1 SER 164 HA -0.04 0.07 0.73 -0.75 4.49 4.50 3husC1 SER 164 HB2 0.05 0.01 0.23 -0.04 3.95 4.20 3husC1 SER 164 HB3 -0.12 0.16 0.20 -0.04 3.93 4.13 3husC1 GLY 165 H 0.02 0.25 0.29 -0.55 8.43 8.44 3husC1 GLY 165 HA2 0.24 0.29 0.60 -0.51 4.01 4.63 3husC1 GLY 165 HA3 0.15 -0.01 0.45 -0.51 4.01 4.09 3husC1 LEU 166 H 0.07 0.20 0.24 -0.55 8.37 8.33 3husC1 LEU 166 HA 0.06 0.30 0.99 -0.75 4.35 4.94 3husC1 LEU 166 HB2 -0.08 0.02 0.11 -0.04 1.64 1.66 3husC1 LEU 166 HB3 -0.11 0.04 -0.04 -0.04 1.64 1.48 3husC1 LEU 166 HG 0.05 -0.11 -0.25 -0.04 1.64 1.28 3husC1 LEU 166 HD13 -0.06 0.03 -0.19 -0.04 0.93 0.67 3husC1 LEU 166 HD23 0.03 -0.01 -0.49 -0.04 0.89 0.38 3husC1 TYR 167 H 0.05 0.64 0.39 -0.55 8.29 8.82 3husC1 TYR 167 HA 0.01 0.20 0.90 -0.75 4.56 4.92 3husC1 TYR 167 HB2 -0.06 -0.09 -0.09 -0.04 3.06 2.78 3husC1 TYR 167 HB3 -0.02 0.16 -0.07 -0.04 2.98 3.00 3husC1 TYR 167 HD2 -0.04 0.22 -0.16 -0.04 7.15 7.13 3husC1 TYR 167 HE2 -0.16 -0.05 -0.07 -0.04 6.85 6.53 3husC1 PHE 168 H 0.25 0.31 0.11 -0.55 8.34 8.46 3husC1 PHE 168 HA -0.05 0.22 0.85 -0.75 4.62 4.88 3husC1 PHE 168 HB2 0.00 0.06 0.06 -0.04 3.15 3.22 3husC1 PHE 168 HB3 -0.05 0.00 -0.12 -0.04 3.06 2.85 3husC1 PHE 168 HD2 -0.03 0.05 -0.22 -0.04 7.28 7.04 3husC1 PHE 168 HE2 0.00 0.01 -0.14 -0.04 7.38 7.21 3husC1 PHE 168 HZ 0.00 -0.01 -0.09 -0.04 7.32 7.19 3husC1 ILE 169 H -0.18 0.57 0.28 -0.55 8.25 8.37 3husC1 ILE 169 HA -0.07 0.12 0.88 -0.75 4.18 4.36 3husC1 ILE 169 HB -0.15 0.23 -0.19 -0.04 1.89 1.73 3husC1 ILE 169 HG12 -0.30 0.02 -0.06 -0.04 1.49 1.11 3husC1 ILE 169 HG13 -0.93 0.01 -0.04 -0.04 1.21 0.20 3husC1 ILE 169 HG23 -0.06 -0.06 -0.48 -0.04 0.93 0.29 3husC1 ILE 169 HD13 -0.03 -0.01 -0.07 -0.04 0.88 0.72 3husC1 LYS 170 H -0.09 0.76 0.21 -0.55 8.42 8.74 3husC1 LYS 170 HA -0.14 0.13 0.75 -0.75 4.32 4.30 3husC1 LYS 170 HB2 -0.06 -0.09 -0.19 -0.04 1.87 1.49 3husC1 LYS 170 HB3 -0.04 -0.03 0.07 -0.04 1.79 1.75 3husC1 LYS 170 HG2 -0.01 0.21 -0.20 -0.04 1.46 1.42 3husC1 LYS 170 HG3 -0.00 -0.04 -0.22 -0.04 1.46 1.16 3husC1 LYS 170 HD2 -0.03 -0.11 -0.08 -0.04 1.69 1.44 3husC1 LYS 170 HD3 -0.02 -0.04 -0.07 -0.04 1.68 1.51 3husC1 LYS 170 HE2 -0.01 -0.06 -0.05 -0.04 2.99 2.83 3husC1 LYS 170 HE3 0.00 0.11 -0.10 -0.04 2.99 2.96 3husC1 PRO 171 HA 0.00 0.05 0.58 -0.51 4.44 4.56 3husC1 PRO 171 HB2 0.05 -0.11 -0.11 -0.04 2.28 2.06 3husC1 PRO 171 HB3 0.02 0.18 0.05 -0.04 2.02 2.23 3husC1 PRO 171 HG2 0.20 -0.00 -0.13 -0.04 2.03 2.05 3husC1 PRO 171 HG3 0.04 0.09 -0.03 -0.04 2.03 2.09 3husC1 PRO 171 HD2 0.08 0.08 0.08 -0.04 3.68 3.88 3husC1 PRO 171 HD3 -0.22 0.14 -0.17 -0.04 3.65 3.37 3husC1 LEU 172 H 0.01 0.12 0.18 -0.55 8.37 8.13 3husC1 LEU 172 HA 0.01 0.14 0.39 -0.75 4.35 4.13 3husC1 LEU 172 HB2 0.01 -0.04 0.22 -0.04 1.64 1.78 3husC1 LEU 172 HB3 0.01 0.05 0.01 -0.04 1.64 1.66 3husC1 LEU 172 HG 0.01 -0.03 0.08 -0.04 1.64 1.66 3husC1 LEU 172 HD13 0.00 0.02 0.04 -0.04 0.93 0.95 3husC1 LEU 172 HD23 0.01 0.00 0.09 -0.04 0.89 0.94 3husC1 LYS 173 H 0.01 0.09 -0.07 -0.55 8.42 7.89 3husC1 LYS 173 HA 0.02 0.21 0.57 -0.75 4.32 4.36 3husC1 LYS 173 HB2 -0.01 0.02 0.05 -0.04 1.87 1.89 3husC1 LYS 173 HB3 0.02 -0.02 0.14 -0.04 1.79 1.90 3husC1 LYS 173 HG2 0.01 0.03 -0.01 -0.04 1.46 1.45 3husC1 LYS 173 HG3 0.00 -0.08 -0.08 -0.04 1.46 1.27 3husC1 LYS 173 HD2 0.01 -0.02 0.01 -0.04 1.69 1.65 3husC1 LYS 173 HD3 0.01 -0.02 0.00 -0.04 1.68 1.63 3husC1 LYS 173 HE2 -0.01 -0.07 0.03 -0.04 2.99 2.90 3husC1 LYS 173 HE3 -0.04 0.02 -0.01 -0.04 2.99 2.93 3husC1 ALA 174 H 0.04 0.23 -0.68 -0.55 8.40 7.45 3husC1 ALA 174 HA 0.07 0.04 0.64 -0.75 4.34 4.34 3husC1 ALA 174 HB3 0.14 0.04 -0.05 -0.04 1.41 1.50 3husC1 ASN 175 H 0.07 0.07 0.14 -0.55 8.53 8.27 3husC1 ASN 175 HA 0.04 0.13 0.48 -0.75 4.76 4.65 3husC1 ASN 175 HB2 0.05 -0.04 0.13 -0.04 2.88 2.98 3husC1 ASN 175 HB3 0.03 0.00 0.02 -0.04 2.79 2.80 3husC1 ASN 175 HD21 0.03 -0.01 0.03 -0.04 7.03 7.04 3husC1 ASN 175 HD22 0.04 -0.01 0.05 -0.04 7.74 7.77 3husC1 GLN 176 H 0.10 0.15 0.04 -0.55 8.47 8.22 3husC1 GLN 176 HA 0.04 0.14 0.64 -0.75 4.36 4.43 3husC1 GLN 176 HB2 0.04 -0.03 -0.24 -0.04 2.15 1.88 3husC1 GLN 176 HB3 0.08 0.03 -0.04 -0.04 2.02 2.04 3husC1 GLN 176 HG2 0.02 0.05 0.06 -0.04 2.40 2.50 3husC1 GLN 176 HG3 0.01 0.02 0.12 -0.04 2.39 2.50 3husC1 GLN 176 HE21 0.00 -0.03 -0.00 -0.04 6.97 6.90 3husC1 GLN 176 HE22 -0.01 -0.00 0.02 -0.04 7.69 7.65 3husC1 GLN 177 H 0.01 0.08 0.10 -0.55 8.47 8.11 3husC1 GLN 177 HA -0.03 0.20 0.53 -0.75 4.36 4.31 3husC1 GLN 177 HB2 0.05 0.02 -0.06 -0.04 2.15 2.12 3husC1 GLN 177 HB3 -0.05 -0.00 -0.02 -0.04 2.02 1.91 3husC1 GLN 177 HG2 -0.10 -0.04 0.06 -0.04 2.40 2.28 3husC1 GLN 177 HG3 -0.11 -0.01 -0.10 -0.04 2.39 2.12 3husC1 GLN 177 HE21 -0.22 0.02 -0.09 -0.04 6.97 6.64 3husC1 GLN 177 HE22 -0.11 0.02 -0.11 -0.04 7.69 7.45 3husC1 PHE 178 H -0.34 0.50 0.36 -0.55 8.34 8.31 3husC1 PHE 178 HA 0.21 0.11 0.74 -0.75 4.62 4.92 3husC1 PHE 178 HB2 0.01 0.03 0.12 -0.04 3.15 3.26 3husC1 PHE 178 HB3 0.05 0.07 -0.04 -0.04 3.06 3.09 3husC1 PHE 178 HD2 -0.00 0.16 -0.16 -0.04 7.28 7.24 3husC1 PHE 178 HE2 -0.02 -0.05 -0.06 -0.04 7.38 7.22 3husC1 PHE 178 HZ -0.03 -0.01 -0.04 -0.04 7.32 7.20 3husC1 LEU 179 H 0.08 0.13 0.16 -0.55 8.37 8.20 3husC1 LEU 179 HA -0.45 0.21 0.67 -0.75 4.35 4.02 3husC1 LEU 179 HB2 -0.53 -0.02 0.04 -0.04 1.64 1.09 3husC1 LEU 179 HB3 -0.18 -0.01 0.07 -0.04 1.64 1.48 3husC1 LEU 179 HG -0.23 0.06 -0.13 -0.04 1.64 1.30 3husC1 LEU 179 HD13 -0.64 0.01 -0.23 -0.04 0.93 0.03 3husC1 LEU 179 HD23 -0.17 -0.02 -0.10 -0.04 0.89 0.56 3husC1 VAL 180 H -0.12 0.69 0.42 -0.55 8.24 8.69 3husC1 VAL 180 HA -0.03 0.17 0.76 -0.75 4.13 4.28 3husC1 VAL 180 HB 0.09 0.01 0.05 -0.04 2.12 2.22 3husC1 VAL 180 HG13 0.20 0.01 -0.20 -0.04 0.97 0.93 3husC1 VAL 180 HG23 0.00 -0.01 -0.16 -0.04 0.95 0.74 3husC1 TYR 181 H 0.08 0.26 0.17 -0.55 8.29 8.25 3husC1 TYR 181 HA 0.02 0.29 1.03 -0.75 4.56 5.15 3husC1 TYR 181 HB2 -0.15 -0.06 -0.00 -0.04 3.06 2.81 3husC1 TYR 181 HB3 0.05 -0.02 0.15 -0.04 2.98 3.11 3husC1 TYR 181 HD2 0.09 -0.07 -0.13 -0.04 7.15 7.00 3husC1 TYR 181 HE2 0.05 0.11 -0.22 -0.04 6.85 6.75 3husC1 CYS 182 H -0.14 0.60 0.31 -0.55 8.50 8.72 3husC1 CYS 182 HA -0.10 0.29 1.00 -0.75 4.58 5.02 3husC1 CYS 182 HB2 -0.15 0.01 0.04 -0.04 2.97 2.83 3husC1 CYS 182 HB3 -0.22 -0.01 -0.08 -0.04 2.97 2.62 3husC1 GLU 183 H -0.02 0.49 0.25 -0.55 8.60 8.78 3husC1 GLU 183 HA -0.15 0.18 0.94 -0.75 4.29 4.51 3husC1 GLU 183 HB2 -0.00 0.04 -0.06 -0.04 2.09 2.03 3husC1 GLU 183 HB3 0.16 -0.12 0.14 -0.04 1.99 2.14 3husC1 GLU 183 HG2 0.06 -0.01 -0.28 -0.04 2.34 2.06 3husC1 GLU 183 HG3 0.03 0.08 -0.04 -0.04 2.34 2.37 3husC1 ILE 184 H -0.04 0.24 0.03 -0.55 8.25 7.93 3husC1 ILE 184 HA 0.02 0.44 1.05 -0.75 4.18 4.94 3husC1 ILE 184 HB -0.04 0.14 -0.18 -0.04 1.89 1.77 3husC1 ILE 184 HG12 -0.12 0.02 -0.24 -0.04 1.49 1.11 3husC1 ILE 184 HG13 -0.12 -0.18 -0.49 -0.04 1.21 0.37 3husC1 ILE 184 HG23 -0.04 -0.02 -0.11 -0.04 0.93 0.72 3husC1 ILE 184 HD13 -0.19 0.10 -0.46 -0.04 0.88 0.29 3husC1 ASP 185 H 0.07 0.23 0.19 -0.55 8.40 8.34 3husC1 ASP 185 HA 0.03 0.23 0.63 -0.75 4.63 4.77 3husC1 ASP 185 HB2 0.05 0.05 0.14 -0.04 2.71 2.90 3husC1 ASP 185 HB3 0.08 0.04 0.00 -0.04 2.70 2.78 3husC1 GLY 186 H 0.01 0.09 -0.15 -0.55 8.43 7.83 3husC1 GLY 186 HA2 -0.00 0.11 0.32 -0.51 4.01 3.93 3husC1 GLY 186 HA3 0.00 0.22 0.66 -0.51 4.01 4.39 3husC1 SER 187 H 0.01 0.01 -0.30 -0.55 8.46 7.64 3husC1 SER 187 HA -0.01 0.24 0.67 -0.75 4.49 4.63 3husC1 SER 187 HB2 0.02 -0.11 0.02 -0.04 3.95 3.84 3husC1 SER 187 HB3 -0.00 0.07 0.12 -0.04 3.93 4.07 3husC1 GLY 188 H -0.02 -0.04 -0.28 -0.55 8.43 7.54 3husC1 GLY 188 HA2 -0.05 0.13 0.19 -0.51 4.01 3.77 3husC1 GLY 188 HA3 -0.05 0.22 0.65 -0.51 4.01 4.33 3husC1 ASN 189 H -0.03 -0.10 -0.14 -0.55 8.53 7.72 3husC1 ASN 189 HA -0.17 0.14 0.58 -0.75 4.76 4.56 3husC1 ASN 189 HB2 0.07 -0.10 0.06 -0.04 2.88 2.87 3husC1 ASN 189 HB3 -0.24 0.03 -0.05 -0.04 2.79 2.49 3husC1 ASN 189 HD21 0.03 0.12 -0.06 -0.04 7.03 7.07 3husC1 ASN 189 HD22 0.10 -0.07 -0.03 -0.04 7.74 7.70 3husC1 GLY 190 H -0.26 0.16 0.11 -0.55 8.43 7.89 3husC1 GLY 190 HA2 -0.07 0.30 0.79 -0.51 4.01 4.52 3husC1 GLY 190 HA3 -0.15 0.09 -0.01 -0.51 4.01 3.43 3husC1 TRP 191 H 0.21 0.67 0.17 -0.55 7.97 8.47 3husC1 TRP 191 HA 0.02 0.18 0.59 -0.75 4.62 4.65 3husC1 TRP 191 HB2 -0.03 0.00 0.13 -0.04 3.23 3.29 3husC1 TRP 191 HB3 0.01 -0.03 -0.11 -0.04 3.23 3.06 3husC1 TRP 191 HD1 -0.03 0.14 -0.09 -0.04 7.22 7.20 3husC1 TRP 191 HE1 -0.02 -0.00 -0.11 -0.04 10.20 10.02 3husC1 TRP 191 HE3 0.03 -0.08 -0.54 -0.04 7.59 6.95 3husC1 TRP 191 HZ2 -0.01 0.01 -0.12 -0.04 7.44 7.28 3husC1 TRP 191 HZ3 0.02 0.22 -0.05 -0.04 7.13 7.27 3husC1 TRP 191 HH2 0.01 -0.01 -0.14 -0.04 7.19 7.01 3husC1 THR 192 H 0.27 0.78 0.38 -0.55 8.28 9.16 3husC1 THR 192 HA 0.14 0.21 0.98 -0.75 4.39 4.97 3husC1 THR 192 HB 0.19 -0.01 0.26 -0.04 4.32 4.72 3husC1 THR 192 HG23 0.13 0.03 -0.08 -0.04 1.22 1.26 3husC1 VAL 193 H 0.22 0.53 0.24 -0.55 8.24 8.68 3husC1 VAL 193 HA 0.10 0.10 0.82 -0.75 4.13 4.39 3husC1 VAL 193 HB 0.52 0.02 0.14 -0.04 2.12 2.76 3husC1 VAL 193 HG13 0.00 -0.02 -0.06 -0.04 0.97 0.85 3husC1 VAL 193 HG23 0.23 0.01 -0.07 -0.04 0.95 1.08 3husC1 PHE 194 H -0.31 0.50 0.47 -0.55 8.34 8.45 3husC1 PHE 194 HA 0.16 0.21 0.97 -0.75 4.62 5.20 3husC1 PHE 194 HB2 -0.36 -0.12 0.15 -0.04 3.15 2.78 3husC1 PHE 194 HB3 -0.07 0.06 -0.06 -0.04 3.06 2.95 3husC1 PHE 194 HD2 -0.43 0.00 -0.07 -0.04 7.28 6.74 3husC1 PHE 194 HE2 0.06 -0.02 -0.15 -0.04 7.38 7.22 3husC1 PHE 194 HZ 0.01 -0.02 -0.10 -0.04 7.32 7.17 3husC1 GLN 195 H -0.55 0.30 0.34 -0.55 8.47 8.02 3husC1 GLN 195 HA -0.29 0.42 0.95 -0.75 4.36 4.68 3husC1 GLN 195 HB2 -0.03 -0.02 -0.09 -0.04 2.15 1.97 3husC1 GLN 195 HB3 -0.24 -0.13 0.12 -0.04 2.02 1.73 3husC1 GLN 195 HG2 0.39 0.12 0.14 -0.04 2.40 3.02 3husC1 GLN 195 HG3 0.83 -0.04 -0.02 -0.04 2.39 3.11 3husC1 GLN 195 HE21 -0.06 0.06 -0.15 -0.04 6.97 6.79 3husC1 GLN 195 HE22 0.07 0.02 -0.21 -0.04 7.69 7.53 3husC1 LYS 196 H -0.36 0.48 0.35 -0.55 8.42 8.33 3husC1 LYS 196 HA -0.26 0.31 0.99 -0.75 4.32 4.61 3husC1 LYS 196 HB2 -0.66 -0.03 -0.19 -0.04 1.87 0.95 3husC1 LYS 196 HB3 -0.48 -0.04 0.17 -0.04 1.79 1.40 3husC1 LYS 196 HG2 -0.09 0.04 -0.13 -0.04 1.46 1.25 3husC1 LYS 196 HG3 -0.14 -0.01 -0.13 -0.04 1.46 1.14 3husC1 LYS 196 HD2 -0.16 0.05 0.19 -0.04 1.69 1.73 3husC1 LYS 196 HD3 -0.08 -0.06 0.01 -0.04 1.68 1.51 3husC1 LYS 196 HE2 -0.08 0.12 -0.05 -0.04 2.99 2.94 3husC1 LYS 196 HE3 -0.10 0.02 -0.06 -0.04 2.99 2.81 3husC1 ARG 197 H -0.15 0.68 0.39 -0.55 8.46 8.83 3husC1 ARG 197 HA -0.11 -0.00 0.88 -0.75 4.34 4.36 3husC1 ARG 197 HB2 -0.09 -0.10 0.11 -0.04 1.90 1.77 3husC1 ARG 197 HB3 -0.03 0.05 -0.01 -0.04 1.80 1.76 3husC1 ARG 197 HG2 -0.21 -0.09 -0.34 -0.04 1.67 0.98 3husC1 ARG 197 HG3 -0.23 0.15 -0.04 -0.04 1.67 1.51 3husC1 ARG 197 HD2 -0.31 -0.00 0.19 -0.04 3.22 3.06 3husC1 ARG 197 HD3 -1.15 0.02 -0.02 -0.04 3.22 2.03 3husC1 LEU 198 H -0.13 -0.17 0.17 -0.55 8.37 7.70 3husC1 LEU 198 HA -0.09 0.29 1.00 -0.75 4.35 4.79 3husC1 LEU 198 HB2 -0.09 -0.17 0.07 -0.04 1.64 1.41 3husC1 LEU 198 HB3 -0.09 0.07 -0.02 -0.04 1.64 1.55 3husC1 LEU 198 HG -0.06 0.06 -0.15 -0.04 1.64 1.45 3husC1 LEU 198 HD13 -0.09 0.09 -0.07 -0.04 0.93 0.82 3husC1 LEU 198 HD23 -0.06 -0.06 -0.62 -0.04 0.89 0.11 3husC1 ASP 199 H -0.25 -0.21 0.27 -0.55 8.40 7.66 3husC1 ASP 199 HA -0.29 0.34 0.93 -0.75 4.63 4.85 3husC1 ASP 199 HB2 -0.11 0.06 0.03 -0.04 2.71 2.64 3husC1 ASP 199 HB3 -0.09 0.09 -0.06 -0.04 2.70 2.59 3husC1 GLY 200 H -0.47 -0.18 0.22 -0.55 8.43 7.45 3husC1 GLY 200 HA2 -0.29 0.06 0.34 -0.51 4.01 3.61 3husC1 GLY 200 HA3 -0.57 0.22 0.64 -0.51 4.01 3.79 3husC1 SER 201 H -0.11 -0.12 0.10 -0.55 8.46 7.78 3husC1 SER 201 HA -0.02 0.20 0.54 -0.75 4.49 4.46 3husC1 SER 201 HB2 -0.00 0.05 0.05 -0.04 3.95 4.01 3husC1 SER 201 HB3 -0.04 0.04 0.05 -0.04 3.93 3.93 3husC1 VAL 202 H 0.10 -0.06 0.03 -0.55 8.24 7.76 3husC1 VAL 202 HA 0.12 0.15 0.76 -0.75 4.13 4.40 3husC1 VAL 202 HB 0.38 -0.04 0.03 -0.04 2.12 2.44 3husC1 VAL 202 HG13 0.16 0.05 -0.11 -0.04 0.97 1.02 3husC1 VAL 202 HG23 0.20 0.03 0.06 -0.04 0.95 1.19 3husC1 ASP 203 H 0.06 0.14 0.14 -0.55 8.40 8.19 3husC1 ASP 203 HA 0.12 0.10 0.56 -0.75 4.63 4.66 3husC1 ASP 203 HB2 0.01 0.07 0.11 -0.04 2.71 2.86 3husC1 ASP 203 HB3 -0.05 -0.01 0.11 -0.04 2.70 2.70 3husC1 PHE 204 H 0.26 0.21 0.16 -0.55 8.34 8.42 3husC1 PHE 204 HA -0.03 0.12 0.75 -0.75 4.62 4.71 3husC1 PHE 204 HB2 0.08 0.08 0.10 -0.04 3.15 3.37 3husC1 PHE 204 HB3 0.15 0.15 0.26 -0.04 3.06 3.58 3husC1 PHE 204 HD2 0.21 0.09 -0.08 -0.04 7.28 7.45 3husC1 PHE 204 HE2 0.15 -0.09 -0.07 -0.04 7.38 7.33 3husC1 PHE 204 HZ 0.01 0.01 -0.18 -0.04 7.32 7.12 3husC1 LYS 205 H 0.02 0.03 -0.21 -0.55 8.42 7.71 3husC1 LYS 205 HA 0.12 0.18 0.58 -0.75 4.32 4.45 3husC1 LYS 205 HB2 0.02 0.12 0.10 -0.04 1.87 2.07 3husC1 LYS 205 HB3 -0.03 -0.07 0.17 -0.04 1.79 1.81 3husC1 LYS 205 HG2 -0.09 -0.09 -0.10 -0.04 1.46 1.15 3husC1 LYS 205 HG3 0.03 -0.04 -0.13 -0.04 1.46 1.28 3husC1 LYS 205 HD2 -0.07 0.02 0.02 -0.04 1.69 1.62 3husC1 LYS 205 HD3 -0.04 0.05 0.04 -0.04 1.68 1.69 3husC1 LYS 205 HE2 -0.25 -0.06 -0.01 -0.04 2.99 2.63 3husC1 LYS 205 HE3 -0.14 0.02 0.01 -0.04 2.99 2.84 3husC1 LYS 206 H 0.25 0.36 -0.18 -0.55 8.42 8.29 3husC1 LYS 206 HA 0.03 0.18 0.82 -0.75 4.32 4.59 3husC1 LYS 206 HB2 -0.62 0.05 -0.12 -0.04 1.87 1.13 3husC1 LYS 206 HB3 -0.32 -0.14 -0.02 -0.04 1.79 1.26 3husC1 LYS 206 HG2 -0.76 -0.04 -0.50 -0.04 1.46 0.11 3husC1 LYS 206 HG3 -2.17 0.03 -0.13 -0.04 1.46 -0.85 3husC1 LYS 206 HD2 -0.34 -0.08 -0.04 -0.04 1.69 1.19 3husC1 LYS 206 HD3 -0.23 0.08 -0.13 -0.04 1.68 1.36 3husC1 LYS 206 HE2 -0.19 -0.03 -0.02 -0.04 2.99 2.71 3husC1 LYS 206 HE3 -0.35 0.17 -0.08 -0.04 2.99 2.68 3husC1 ASN 207 H 0.19 0.11 0.09 -0.55 8.53 8.38 3husC1 ASN 207 HA 0.14 0.09 0.51 -0.75 4.76 4.76 3husC1 ASN 207 HB2 -0.04 -0.15 0.22 -0.04 2.88 2.86 3husC1 ASN 207 HB3 0.34 0.15 0.10 -0.04 2.79 3.33 3husC1 ASN 207 HD21 0.11 0.08 0.03 -0.04 7.03 7.22 3husC1 ASN 207 HD22 0.27 0.10 0.05 -0.04 7.74 8.12 3husC1 TRP 208 H 0.13 0.16 0.14 -0.55 7.97 7.86 3husC1 TRP 208 HA 0.08 0.17 0.39 -0.75 4.62 4.51 3husC1 TRP 208 HB2 -0.08 -0.04 0.07 -0.04 3.23 3.14 3husC1 TRP 208 HB3 -0.06 0.01 0.08 -0.04 3.23 3.22 3husC1 TRP 208 HD1 0.02 -0.01 -0.15 -0.04 7.22 7.04 3husC1 TRP 208 HE1 0.10 0.02 -0.06 -0.04 10.20 10.22 3husC1 TRP 208 HE3 0.10 -0.14 -0.08 -0.04 7.59 7.43 3husC1 TRP 208 HZ2 0.19 -0.00 -0.05 -0.04 7.44 7.54 3husC1 TRP 208 HZ3 0.35 0.06 -0.47 -0.04 7.13 7.03 3husC1 TRP 208 HH2 0.31 0.20 -0.14 -0.04 7.19 7.52 3husC1 ILE 209 H 0.16 0.09 -0.03 -0.55 8.25 7.92 3husC1 ILE 209 HA -0.03 0.14 0.44 -0.75 4.18 3.98 3husC1 ILE 209 HB 0.06 0.00 0.03 -0.04 1.89 1.94 3husC1 ILE 209 HG12 0.14 0.08 0.02 -0.04 1.49 1.70 3husC1 ILE 209 HG13 0.17 -0.17 0.09 -0.04 1.21 1.25 3husC1 ILE 209 HG23 0.04 0.03 -0.00 -0.04 0.93 0.96 3husC1 ILE 209 HD13 0.07 0.03 0.02 -0.04 0.88 0.96 3husC1 GLN 210 H 0.06 -0.00 -0.32 -0.55 8.47 7.66 3husC1 GLN 210 HA 0.03 0.19 0.43 -0.75 4.36 4.25 3husC1 GLN 210 HB2 -0.02 -0.07 -0.02 -0.04 2.15 2.00 3husC1 GLN 210 HB3 -0.15 0.10 -0.08 -0.04 2.02 1.86 3husC1 GLN 210 HG2 -0.02 0.13 0.01 -0.04 2.40 2.48 3husC1 GLN 210 HG3 0.02 -0.10 -0.01 -0.04 2.39 2.26 3husC1 GLN 210 HE21 -0.04 0.05 0.02 -0.04 6.97 6.96 3husC1 GLN 210 HE22 -0.03 0.06 0.01 -0.04 7.69 7.69 3husC1 TYR 211 H 0.12 0.32 -0.34 -0.55 8.29 7.84 3husC1 TYR 211 HA 0.21 0.13 0.60 -0.75 4.56 4.74 3husC1 TYR 211 HB2 -0.09 0.13 0.06 -0.04 3.06 3.12 3husC1 TYR 211 HB3 -0.35 -0.03 -0.05 -0.04 2.98 2.50 3husC1 TYR 211 HD2 -0.58 0.06 -0.10 -0.04 7.15 6.49 3husC1 TYR 211 HE2 -0.52 -0.06 0.08 -0.04 6.85 6.30 3husC1 LYS 212 H -0.20 0.22 -0.38 -0.55 8.42 7.50 3husC1 LYS 212 HA -0.57 -0.07 0.65 -0.75 4.32 3.58 3husC1 LYS 212 HB2 -0.65 0.08 0.10 -0.04 1.87 1.36 3husC1 LYS 212 HB3 -0.22 0.08 0.21 -0.04 1.79 1.83 3husC1 LYS 212 HG2 -0.12 0.02 -0.21 -0.04 1.46 1.10 3husC1 LYS 212 HG3 -0.12 -0.06 0.01 -0.04 1.46 1.24 3husC1 LYS 212 HD2 0.07 -0.01 -0.03 -0.04 1.69 1.68 3husC1 LYS 212 HD3 -0.01 0.02 -0.00 -0.04 1.68 1.65 3husC1 LYS 212 HE2 0.03 0.03 -0.04 -0.04 2.99 2.97 3husC1 LYS 212 HE3 0.14 -0.05 -0.01 -0.04 2.99 3.03 3husC1 GLU 213 H -0.08 0.43 0.02 -0.55 8.60 8.42 3husC1 GLU 213 HA -0.12 0.05 0.63 -0.75 4.29 4.09 3husC1 GLU 213 HB2 -0.03 0.06 0.13 -0.04 2.09 2.22 3husC1 GLU 213 HB3 -0.05 0.02 0.08 -0.04 1.99 2.00 3husC1 GLU 213 HG2 -0.05 0.01 0.10 -0.04 2.34 2.36 3husC1 GLU 213 HG3 -0.02 -0.02 0.04 -0.04 2.34 2.29 3husC1 GLY 214 H 0.02 0.16 -0.09 -0.55 8.43 7.98 3husC1 GLY 214 HA2 0.02 -0.09 0.08 -0.51 4.01 3.50 3husC1 GLY 214 HA3 -0.09 0.38 0.74 -0.51 4.01 4.53 3husC1 PHE 215 H -0.37 0.44 0.32 -0.55 8.34 8.17 3husC1 PHE 215 HA -0.12 0.16 0.67 -0.75 4.62 4.57 3husC1 PHE 215 HB2 -0.18 -0.06 0.14 -0.04 3.15 3.00 3husC1 PHE 215 HB3 -0.17 0.04 -0.05 -0.04 3.06 2.84 3husC1 PHE 215 HD2 -0.39 0.12 -0.26 -0.04 7.28 6.71 3husC1 PHE 215 HE2 -2.24 -0.01 -0.13 -0.04 7.38 4.96 3husC1 PHE 215 HZ -1.15 0.05 0.03 -0.04 7.32 6.20 3husC1 GLY 216 H 0.02 0.12 0.19 -0.55 8.43 8.22 3husC1 GLY 216 HA2 0.08 -0.02 0.38 -0.51 4.01 3.94 3husC1 GLY 216 HA3 0.05 0.14 1.00 -0.51 4.01 4.69 3husC1 HIS 217 H 0.20 0.56 0.21 -0.55 8.41 8.84 3husC1 HIS 217 HA -0.02 0.19 0.78 -0.75 4.63 4.82 3husC1 HIS 217 HB2 0.02 -0.07 -0.04 -0.04 3.26 3.13 3husC1 HIS 217 HB3 -0.02 0.02 -0.08 -0.04 3.20 3.08 3husC1 HIS 217 HD2 -0.01 0.01 0.00 -0.04 6.97 6.92 3husC1 HIS 217 HE1 0.02 -0.01 -0.05 -0.04 7.75 7.67 3husC1 LEU 218 H -0.03 0.22 0.04 -0.55 8.37 8.06 3husC1 LEU 218 HA -0.32 0.15 0.78 -0.75 4.35 4.21 3husC1 LEU 218 HB2 -0.16 -0.00 -0.00 -0.04 1.64 1.44 3husC1 LEU 218 HB3 -0.22 0.03 -0.20 -0.04 1.64 1.20 3husC1 LEU 218 HG -0.39 -0.04 -0.37 -0.04 1.64 0.79 3husC1 LEU 218 HD13 -0.19 0.02 -0.23 -0.04 0.93 0.49 3husC1 LEU 218 HD23 -1.07 0.00 -0.17 -0.04 0.89 -0.39 3husC1 SER 219 H -0.16 0.20 0.10 -0.55 8.46 8.05 3husC1 SER 219 HA -0.04 0.30 0.89 -0.75 4.49 4.90 3husC1 SER 219 HB2 -0.04 0.01 0.04 -0.04 3.95 3.92 3husC1 SER 219 HB3 -0.04 0.12 -0.11 -0.04 3.93 3.86 3husC1 PRO 220 HA 0.19 0.03 0.47 -0.51 4.44 4.62 3husC1 PRO 220 HB2 0.05 0.08 0.06 -0.04 2.28 2.42 3husC1 PRO 220 HB3 0.07 0.08 0.22 -0.04 2.02 2.35 3husC1 PRO 220 HG2 -0.01 0.05 0.16 -0.04 2.03 2.19 3husC1 PRO 220 HG3 -0.01 0.09 0.12 -0.04 2.03 2.19 3husC1 PRO 220 HD2 -0.01 0.07 0.20 -0.04 3.68 3.91 3husC1 PRO 220 HD3 -0.02 0.23 0.23 -0.04 3.65 4.05 3husC1 THR 221 H 0.02 0.01 -0.17 -0.55 8.28 7.59 3husC1 THR 221 HA 0.09 0.23 0.57 -0.75 4.39 4.53 3husC1 THR 221 HB 0.01 0.07 -0.03 -0.04 4.32 4.33 3husC1 THR 221 HG23 0.02 0.01 -0.02 -0.04 1.22 1.20 3husC1 GLY 222 H -0.15 -0.03 -0.43 -0.55 8.43 7.27 3husC1 GLY 222 HA2 -0.65 0.01 0.25 -0.51 4.01 3.12 3husC1 GLY 222 HA3 -0.45 0.17 0.46 -0.51 4.01 3.68 3husC1 THR 223 H -0.10 -0.06 -0.01 -0.55 8.28 7.56 3husC1 THR 223 HA -0.06 0.30 0.80 -0.75 4.39 4.67 3husC1 THR 223 HB -0.04 0.01 0.09 -0.04 4.32 4.34 3husC1 THR 223 HG23 -0.03 0.03 -0.27 -0.04 1.22 0.91 3husC1 THR 224 H -0.03 0.06 -0.03 -0.55 8.28 7.73 3husC1 THR 224 HA 0.02 0.16 0.94 -0.75 4.39 4.76 3husC1 THR 224 HB 0.12 0.08 -0.05 -0.04 4.32 4.43 3husC1 THR 224 HG23 -0.01 -0.02 -0.20 -0.04 1.22 0.95 3husC1 GLU 225 H 0.09 0.05 0.18 -0.55 8.60 8.37 3husC1 GLU 225 HA 0.04 0.22 0.61 -0.75 4.29 4.40 3husC1 GLU 225 HB2 0.18 -0.12 0.23 -0.04 2.09 2.34 3husC1 GLU 225 HB3 0.26 0.21 0.17 -0.04 1.99 2.60 3husC1 GLU 225 HG2 -0.04 0.06 0.08 -0.04 2.34 2.39 3husC1 GLU 225 HG3 -0.02 -0.01 0.15 -0.04 2.34 2.43 3husC1 PHE 226 H -0.13 0.33 0.37 -0.55 8.34 8.36 3husC1 PHE 226 HA -0.06 0.08 0.75 -0.75 4.62 4.63 3husC1 PHE 226 HB2 -0.09 0.12 -0.13 -0.04 3.15 3.00 3husC1 PHE 226 HB3 -0.02 0.13 -0.30 -0.04 3.06 2.84 3husC1 PHE 226 HD2 -0.06 0.11 -0.36 -0.04 7.28 6.93 3husC1 PHE 226 HE2 -0.08 0.03 -0.18 -0.04 7.38 7.11 3husC1 PHE 226 HZ 0.07 -0.00 -0.18 -0.04 7.32 7.17 3husC1 TRP 227 H -0.33 0.80 0.33 -0.55 7.97 8.23 3husC1 TRP 227 HA -0.10 0.26 0.93 -0.75 4.62 4.95 3husC1 TRP 227 HB2 -0.54 0.02 0.12 -0.04 3.23 2.79 3husC1 TRP 227 HB3 -1.79 -0.05 0.21 -0.04 3.23 1.56 3husC1 TRP 227 HD1 -0.37 -0.00 -0.06 -0.04 7.22 6.75 3husC1 TRP 227 HE1 -0.20 0.17 0.12 -0.04 10.20 10.26 3husC1 TRP 227 HE3 0.27 0.03 0.13 -0.04 7.59 7.99 3husC1 TRP 227 HZ2 -0.33 -0.00 -0.03 -0.04 7.44 7.03 3husC1 TRP 227 HZ3 0.52 -0.05 -0.03 -0.04 7.13 7.53 3husC1 TRP 227 HH2 0.20 -0.02 -0.03 -0.04 7.19 7.30 3husC1 LEU 228 H -0.41 0.63 0.28 -0.55 8.37 8.32 3husC1 LEU 228 HA -0.09 0.09 0.35 -0.75 4.35 3.94 3husC1 LEU 228 HB2 0.09 0.01 0.24 -0.04 1.64 1.93 3husC1 LEU 228 HB3 -0.26 -0.08 0.12 -0.04 1.64 1.38 3husC1 LEU 228 HG -0.19 0.02 -0.04 -0.04 1.64 1.39 3husC1 LEU 228 HD13 0.03 0.02 0.08 -0.04 0.93 1.03 3husC1 LEU 228 HD23 0.10 -0.01 -0.09 -0.04 0.89 0.85 3husC1 GLY 229 H -1.13 -0.02 -0.19 -0.55 8.43 6.55 3husC1 GLY 229 HA2 -0.01 0.12 0.00 -0.51 4.01 3.61 3husC1 GLY 229 HA3 -0.22 0.35 0.29 -0.51 4.01 3.92 3husC1 ASN 230 H -0.21 0.77 0.36 -0.55 8.53 8.91 3husC1 ASN 230 HA -0.40 -0.02 0.32 -0.75 4.76 3.91 3husC1 ASN 230 HB2 -1.32 -0.04 0.11 -0.04 2.88 1.59 3husC1 ASN 230 HB3 -1.96 0.01 -0.03 -0.04 2.79 0.76 3husC1 ASN 230 HD21 -2.55 -0.04 -0.10 -0.04 7.03 4.29 3husC1 ASN 230 HD22 -1.18 -0.06 -0.28 -0.04 7.74 6.19 3husC1 GLU 231 H -0.40 0.52 -0.04 -0.55 8.60 8.14 3husC1 GLU 231 HA 0.14 0.01 0.48 -0.75 4.29 4.16 3husC1 GLU 231 HB2 -0.02 -0.08 0.07 -0.04 2.09 2.01 3husC1 GLU 231 HB3 -0.14 0.17 0.07 -0.04 1.99 2.05 3husC1 GLU 231 HG2 -0.00 0.01 -0.02 -0.04 2.34 2.29 3husC1 GLU 231 HG3 -0.02 0.03 -0.16 -0.04 2.34 2.15 3husC1 LYS 232 H -0.30 0.35 -0.20 -0.55 8.42 7.72 3husC1 LYS 232 HA -0.34 0.04 0.47 -0.75 4.32 3.74 3husC1 LYS 232 HB2 -0.41 0.16 -0.02 -0.04 1.87 1.55 3husC1 LYS 232 HB3 -0.66 -0.05 -0.05 -0.04 1.79 0.99 3husC1 LYS 232 HG2 -1.32 -0.06 0.02 -0.04 1.46 0.05 3husC1 LYS 232 HG3 -0.49 -0.03 0.06 -0.04 1.46 0.97 3husC1 LYS 232 HD2 -0.39 0.43 0.12 -0.04 1.69 1.80 3husC1 LYS 232 HD3 -0.87 -0.09 0.02 -0.04 1.68 0.70 3husC1 LYS 232 HE2 -0.47 -0.11 0.05 -0.04 2.99 2.42 3husC1 LYS 232 HE3 -0.28 0.09 0.16 -0.04 2.99 2.92 3husC1 ILE 233 H -0.28 0.52 -0.09 -0.55 8.25 7.84 3husC1 ILE 233 HA -0.21 0.01 0.35 -0.75 4.18 3.58 3husC1 ILE 233 HB -0.26 0.09 0.01 -0.04 1.89 1.70 3husC1 ILE 233 HG12 -0.65 -0.05 -0.04 -0.04 1.49 0.71 3husC1 ILE 233 HG13 -0.43 0.19 -0.04 -0.04 1.21 0.89 3husC1 ILE 233 HG23 -0.50 -0.02 -0.09 -0.04 0.93 0.28 3husC1 ILE 233 HD13 -0.76 -0.05 -0.18 -0.04 0.88 -0.15 3husC1 HIS 234 H 0.01 0.49 -0.25 -0.55 8.41 8.11 3husC1 HIS 234 HA -0.07 0.04 0.49 -0.75 4.63 4.33 3husC1 HIS 234 HB2 0.15 0.10 -0.02 -0.04 3.26 3.45 3husC1 HIS 234 HB3 0.09 0.06 0.13 -0.04 3.20 3.43 3husC1 HIS 234 HD2 0.04 0.01 -0.08 -0.04 6.97 6.90 3husC1 HIS 234 HE1 -0.02 -0.03 -0.05 -0.04 7.75 7.61 3husC1 LEU 235 H -0.04 0.38 -0.26 -0.55 8.37 7.91 3husC1 LEU 235 HA -0.25 0.03 0.33 -0.75 4.35 3.70 3husC1 LEU 235 HB2 0.03 0.15 0.12 -0.04 1.64 1.90 3husC1 LEU 235 HB3 0.04 -0.11 -0.07 -0.04 1.64 1.46 3husC1 LEU 235 HG 0.08 0.09 0.05 -0.04 1.64 1.81 3husC1 LEU 235 HD13 0.05 -0.03 -0.03 -0.04 0.93 0.88 3husC1 LEU 235 HD23 0.02 -0.04 -0.23 -0.04 0.89 0.61 3husC1 ILE 236 H -0.08 0.40 -0.24 -0.55 8.25 7.77 3husC1 ILE 236 HA -0.07 0.04 0.55 -0.75 4.18 3.94 3husC1 ILE 236 HB -0.16 0.06 0.11 -0.04 1.89 1.85 3husC1 ILE 236 HG12 0.11 -0.02 -0.00 -0.04 1.49 1.53 3husC1 ILE 236 HG13 0.16 0.14 0.04 -0.04 1.21 1.51 3husC1 ILE 236 HG23 -0.22 -0.03 -0.08 -0.04 0.93 0.56 3husC1 ILE 236 HD13 0.18 -0.04 -0.13 -0.04 0.88 0.85 3husC1 SER 237 H -0.25 0.54 -0.03 -0.55 8.46 8.17 3husC1 SER 237 HA -0.76 -0.02 0.37 -0.75 4.49 3.32 3husC1 SER 237 HB2 -0.14 0.10 0.15 -0.04 3.95 4.03 3husC1 SER 237 HB3 -0.15 -0.06 0.10 -0.04 3.93 3.77 3husC1 THR 238 H -0.22 0.45 -0.22 -0.55 8.28 7.75 3husC1 THR 238 HA -0.03 0.14 0.53 -0.75 4.39 4.27 3husC1 THR 238 HB -0.08 -0.09 0.15 -0.04 4.32 4.25 3husC1 THR 238 HG23 -0.05 -0.03 0.01 -0.04 1.22 1.12 3husC1 GLN 239 H 0.03 0.27 -0.66 -0.55 8.47 7.57 3husC1 GLN 239 HA 0.01 -0.04 0.65 -0.75 4.36 4.23 3husC1 GLN 239 HB2 0.22 0.12 0.08 -0.04 2.15 2.53 3husC1 GLN 239 HB3 0.08 -0.09 0.08 -0.04 2.02 2.04 3husC1 GLN 239 HG2 0.01 -0.20 0.14 -0.04 2.40 2.31 3husC1 GLN 239 HG3 -0.00 0.29 0.11 -0.04 2.39 2.74 3husC1 GLN 239 HE21 0.07 -0.10 -0.14 -0.04 6.97 6.77 3husC1 GLN 239 HE22 0.03 0.15 0.14 -0.04 7.69 7.97 3husC1 SER 240 H 0.02 -0.01 0.15 -0.55 8.46 8.08 3husC1 SER 240 HA 0.02 0.06 0.16 -0.75 4.49 3.98 3husC1 SER 240 HB2 0.01 -0.01 0.07 -0.04 3.95 3.97 3husC1 SER 240 HB3 0.01 0.02 0.14 -0.04 3.93 4.06 3husC1 ALA 241 H 0.02 0.09 0.09 -0.55 8.40 8.05 3husC1 ALA 241 HA 0.02 -0.01 0.40 -0.75 4.34 3.99 3husC1 ALA 241 HB3 0.01 0.01 0.01 -0.04 1.41 1.39 3husC1 ILE 242 H -0.00 0.23 0.36 -0.55 8.25 8.28 3husC1 ILE 242 HA 0.01 0.02 0.37 -0.75 4.18 3.83 3husC1 ILE 242 HB -0.09 0.03 0.19 -0.04 1.89 1.97 3husC1 ILE 242 HG12 -0.03 -0.01 0.05 -0.04 1.49 1.46 3husC1 ILE 242 HG13 -0.02 -0.03 0.15 -0.04 1.21 1.27 3husC1 ILE 242 HG23 -0.10 0.02 0.03 -0.04 0.93 0.85 3husC1 ILE 242 HD13 -0.06 -0.01 0.04 -0.04 0.88 0.81 3husC1 PRO 243 HA 0.14 0.31 0.65 -0.51 4.44 5.03 3husC1 PRO 243 HB2 0.04 -0.11 0.15 -0.04 2.28 2.32 3husC1 PRO 243 HB3 0.06 0.12 0.15 -0.04 2.02 2.32 3husC1 PRO 243 HG2 0.17 -0.11 0.08 -0.04 2.03 2.13 3husC1 PRO 243 HG3 0.11 0.05 0.11 -0.04 2.03 2.27 3husC1 PRO 243 HD2 0.08 -0.05 0.26 -0.04 3.68 3.92 3husC1 PRO 243 HD3 0.06 0.34 0.28 -0.04 3.65 4.30 3husC1 TYR 244 H 0.27 0.31 0.26 -0.55 8.29 8.58 3husC1 TYR 244 HA 0.06 0.14 0.98 -0.75 4.56 4.99 3husC1 TYR 244 HB2 0.16 0.20 0.16 -0.04 3.06 3.54 3husC1 TYR 244 HB3 0.14 -0.10 -0.07 -0.04 2.98 2.92 3husC1 TYR 244 HD2 0.04 0.00 -0.15 -0.04 7.15 7.00 3husC1 TYR 244 HE2 -0.00 -0.02 -0.03 -0.04 6.85 6.77 3husC1 ALA 245 H 0.11 0.89 0.39 -0.55 8.40 9.24 3husC1 ALA 245 HA -0.02 0.21 1.15 -0.75 4.34 4.91 3husC1 ALA 245 HB3 0.17 -0.01 0.07 -0.04 1.41 1.60 3husC1 LEU 246 H 0.10 0.47 0.36 -0.55 8.37 8.75 3husC1 LEU 246 HA 0.03 0.19 0.78 -0.75 4.35 4.59 3husC1 LEU 246 HB2 -0.84 0.01 0.06 -0.04 1.64 0.83 3husC1 LEU 246 HB3 0.03 -0.05 0.20 -0.04 1.64 1.79 3husC1 LEU 246 HG 0.02 0.02 -0.29 -0.04 1.64 1.35 3husC1 LEU 246 HD13 -0.29 0.01 -0.09 -0.04 0.93 0.52 3husC1 LEU 246 HD23 0.03 -0.01 -0.09 -0.04 0.89 0.78 3husC1 ARG 247 H 0.08 0.71 0.43 -0.55 8.46 9.13 3husC1 ARG 247 HA -0.03 0.24 0.99 -0.75 4.34 4.79 3husC1 ARG 247 HB2 -0.07 0.01 -0.06 -0.04 1.90 1.74 3husC1 ARG 247 HB3 -0.55 0.00 0.14 -0.04 1.80 1.36 3husC1 ARG 247 HG2 -0.42 -0.03 -0.27 -0.04 1.67 0.91 3husC1 ARG 247 HG3 -0.23 -0.04 -0.12 -0.04 1.67 1.24 3husC1 ARG 247 HD2 -1.06 0.00 -0.10 -0.04 3.22 2.03 3husC1 ARG 247 HD3 -0.41 -0.01 -0.11 -0.04 3.22 2.65 3husC1 VAL 248 H -0.11 0.75 0.33 -0.55 8.24 8.66 3husC1 VAL 248 HA -0.22 0.32 1.11 -0.75 4.13 4.58 3husC1 VAL 248 HB -0.36 -0.06 0.24 -0.04 2.12 1.91 3husC1 VAL 248 HG13 -0.71 -0.01 -0.15 -0.04 0.97 0.07 3husC1 VAL 248 HG23 0.02 -0.01 -0.07 -0.04 0.95 0.85 3husC1 GLU 249 H -0.28 0.73 0.38 -0.55 8.60 8.88 3husC1 GLU 249 HA -0.33 0.20 1.03 -0.75 4.29 4.43 3husC1 GLU 249 HB2 -0.25 -0.01 0.17 -0.04 2.09 1.95 3husC1 GLU 249 HB3 -0.24 0.05 -0.04 -0.04 1.99 1.71 3husC1 GLU 249 HG2 -0.28 -0.01 -0.08 -0.04 2.34 1.93 3husC1 GLU 249 HG3 -0.34 -0.03 -0.16 -0.04 2.34 1.76 3husC1 LEU 250 H -0.41 0.63 0.41 -0.55 8.37 8.46 3husC1 LEU 250 HA -0.22 0.31 1.10 -0.75 4.35 4.78 3husC1 LEU 250 HB2 -0.69 -0.03 0.09 -0.04 1.64 0.98 3husC1 LEU 250 HB3 -0.15 -0.01 -0.02 -0.04 1.64 1.42 3husC1 LEU 250 HG -0.57 -0.05 -0.45 -0.04 1.64 0.53 3husC1 LEU 250 HD13 -0.95 -0.02 -0.13 -0.04 0.93 -0.20 3husC1 LEU 250 HD23 -0.19 0.01 -0.10 -0.04 0.89 0.56 3husC1 GLU 251 H -0.07 0.65 0.35 -0.55 8.60 8.99 3husC1 GLU 251 HA 0.05 0.32 0.97 -0.75 4.29 4.88 3husC1 GLU 251 HB2 -0.10 -0.02 -0.12 -0.04 2.09 1.81 3husC1 GLU 251 HB3 -0.11 -0.09 0.16 -0.04 1.99 1.91 3husC1 GLU 251 HG2 -0.04 0.16 -0.09 -0.04 2.34 2.33 3husC1 GLU 251 HG3 -0.00 0.12 -0.12 -0.04 2.34 2.29 3husC1 ASP 252 H 0.35 0.33 0.18 -0.55 8.40 8.72 3husC1 ASP 252 HA 0.21 0.09 0.76 -0.75 4.63 4.93 3husC1 ASP 252 HB2 0.42 -0.06 0.23 -0.04 2.71 3.27 3husC1 ASP 252 HB3 0.26 0.10 0.07 -0.04 2.70 3.08 3husC1 TRP 253 H 0.57 0.19 0.20 -0.55 7.97 8.38 3husC1 TRP 253 HA 0.07 0.21 0.62 -0.75 4.62 4.76 3husC1 TRP 253 HB2 0.10 0.01 0.15 -0.04 3.23 3.46 3husC1 TRP 253 HB3 0.05 0.03 0.18 -0.04 3.23 3.45 3husC1 TRP 253 HD1 -0.16 -0.08 0.09 -0.04 7.22 7.04 3husC1 TRP 253 HE1 -0.30 0.28 -0.27 -0.04 10.20 9.87 3husC1 TRP 253 HE3 0.04 0.02 0.06 -0.04 7.59 7.67 3husC1 TRP 253 HZ2 -0.45 0.21 -0.10 -0.04 7.44 7.06 3husC1 TRP 253 HZ3 0.08 0.03 0.04 -0.04 7.13 7.23 3husC1 TRP 253 HH2 0.25 0.07 0.01 -0.04 7.19 7.47 3husC1 ASN 254 H 0.23 -0.08 -0.13 -0.55 8.53 8.00 3husC1 ASN 254 HA 0.14 0.25 0.78 -0.75 4.76 5.18 3husC1 ASN 254 HB2 0.10 -0.11 0.08 -0.04 2.88 2.91 3husC1 ASN 254 HB3 0.07 0.06 0.06 -0.04 2.79 2.94 3husC1 ASN 254 HD21 0.05 0.04 0.01 -0.04 7.03 7.09 3husC1 ASN 254 HD22 0.02 -0.04 0.03 -0.04 7.74 7.71 3husC1 GLY 255 H 0.11 0.02 -0.19 -0.55 8.43 7.83 3husC1 GLY 255 HA2 0.04 0.09 0.20 -0.51 4.01 3.83 3husC1 GLY 255 HA3 0.06 0.23 0.78 -0.51 4.01 4.56 3husC1 ARG 256 H 0.14 -0.11 -0.02 -0.55 8.46 7.93 3husC1 ARG 256 HA 0.11 0.14 0.53 -0.75 4.34 4.37 3husC1 ARG 256 HB2 0.35 -0.12 0.05 -0.04 1.90 2.14 3husC1 ARG 256 HB3 0.35 0.09 0.01 -0.04 1.80 2.22 3husC1 ARG 256 HG2 0.11 0.08 -0.03 -0.04 1.67 1.79 3husC1 ARG 256 HG3 0.10 -0.08 -0.06 -0.04 1.67 1.59 3husC1 ARG 256 HD2 0.04 -0.04 -0.02 -0.04 3.22 3.16 3husC1 ARG 256 HD3 0.14 0.06 -0.01 -0.04 3.22 3.36 3husC1 THR 257 H 0.05 0.20 0.23 -0.55 8.28 8.22 3husC1 THR 257 HA -0.13 0.37 1.15 -0.75 4.39 5.02 3husC1 THR 257 HB -0.15 -0.02 0.01 -0.04 4.32 4.11 3husC1 THR 257 HG23 -0.06 0.03 -0.14 -0.04 1.22 1.01 3husC1 SER 258 H -0.54 0.63 0.36 -0.55 8.46 8.36 3husC1 SER 258 HA -0.37 0.10 0.85 -0.75 4.49 4.32 3husC1 SER 258 HB2 -0.86 -0.06 -0.13 -0.04 3.95 2.86 3husC1 SER 258 HB3 -1.20 0.08 -0.20 -0.04 3.93 2.58 3husC1 THR 259 H -0.27 0.06 0.25 -0.55 8.28 7.78 3husC1 THR 259 HA -0.32 0.43 1.13 -0.75 4.39 4.88 3husC1 THR 259 HB -0.19 0.03 -0.03 -0.04 4.32 4.09 3husC1 THR 259 HG23 -0.22 0.01 -0.14 -0.04 1.22 0.84 3husC1 ALA 260 H -0.22 0.45 0.29 -0.55 8.40 8.37 3husC1 ALA 260 HA -0.02 0.17 0.96 -0.75 4.34 4.70 3husC1 ALA 260 HB3 0.05 -0.00 0.04 -0.04 1.41 1.46 3husC1 ASP 261 H -0.31 0.65 0.32 -0.55 8.40 8.51 3husC1 ASP 261 HA -0.02 0.41 1.10 -0.75 4.63 5.36 3husC1 ASP 261 HB2 -0.24 -0.00 0.04 -0.04 2.71 2.47 3husC1 ASP 261 HB3 -0.07 0.01 -0.03 -0.04 2.70 2.56 3husC1 TYR 262 H 0.09 0.70 0.39 -0.55 8.29 8.92 3husC1 TYR 262 HA -0.13 0.05 1.06 -0.75 4.56 4.79 3husC1 TYR 262 HB2 0.01 -0.04 0.13 -0.04 3.06 3.13 3husC1 TYR 262 HB3 -0.12 0.09 -0.01 -0.04 2.98 2.89 3husC1 TYR 262 HD2 -0.40 0.08 -0.21 -0.04 7.15 6.58 3husC1 TYR 262 HE2 0.12 -0.01 -0.11 -0.04 6.85 6.81 3husC1 ALA 263 H -0.30 0.50 0.33 -0.55 8.40 8.39 3husC1 ALA 263 HA -0.68 0.10 0.79 -0.75 4.34 3.80 3husC1 ALA 263 HB3 -0.98 0.01 0.10 -0.04 1.41 0.50 3husC1 MET 264 H -0.50 0.15 0.18 -0.55 8.47 7.76 3husC1 MET 264 HA -0.03 0.03 0.41 -0.75 4.52 4.17 3husC1 MET 264 HB2 -0.02 -0.13 -0.08 -0.04 2.15 1.88 3husC1 MET 264 HB3 0.02 0.08 0.26 -0.04 2.03 2.34 3husC1 MET 264 HG2 0.06 0.03 0.03 -0.04 2.63 2.71 3husC1 MET 264 HG3 0.03 0.08 0.10 -0.04 2.56 2.72 3husC1 MET 264 HE3 0.17 -0.01 -0.05 -0.04 2.10 2.17 3husC1 PHE 265 H 0.17 0.54 0.16 -0.55 8.34 8.66 3husC1 PHE 265 HA 0.04 0.15 0.58 -0.75 4.62 4.63 3husC1 PHE 265 HB2 0.06 -0.08 0.05 -0.04 3.15 3.14 3husC1 PHE 265 HB3 0.08 0.00 0.02 -0.04 3.06 3.12 3husC1 PHE 265 HD2 -0.04 -0.02 -0.14 -0.04 7.28 7.05 3husC1 PHE 265 HE2 -0.29 -0.01 -0.13 -0.04 7.38 6.91 3husC1 PHE 265 HZ -0.15 -0.02 -0.13 -0.04 7.32 6.98 3husC1 LYS 266 H -0.46 0.68 0.44 -0.55 8.42 8.53 3husC1 LYS 266 HA -0.32 0.08 0.80 -0.75 4.32 4.13 3husC1 LYS 266 HB2 -0.13 0.05 0.04 -0.04 1.87 1.79 3husC1 LYS 266 HB3 -0.11 -0.02 -0.13 -0.04 1.79 1.49 3husC1 LYS 266 HG2 -0.04 0.07 -0.09 -0.04 1.46 1.35 3husC1 LYS 266 HG3 -0.02 -0.01 -0.44 -0.04 1.46 0.94 3husC1 LYS 266 HD2 -0.02 -0.03 -0.10 -0.04 1.69 1.50 3husC1 LYS 266 HD3 -0.02 -0.03 -0.10 -0.04 1.68 1.49 3husC1 LYS 266 HE2 0.01 -0.05 -0.07 -0.04 2.99 2.85 3husC1 LYS 266 HE3 0.02 0.11 -0.08 -0.04 2.99 3.00 3husC1 VAL 267 H -0.24 0.20 0.10 -0.55 8.24 7.75 3husC1 VAL 267 HA -0.16 0.33 0.88 -0.75 4.13 4.42 3husC1 VAL 267 HB -0.02 -0.04 -0.05 -0.04 2.12 1.97 3husC1 VAL 267 HG13 0.25 0.06 -0.17 -0.04 0.97 1.07 3husC1 VAL 267 HG23 -0.26 -0.02 -0.19 -0.04 0.95 0.44 3husC1 GLY 268 H 0.02 0.40 0.11 -0.55 8.43 8.41 3husC1 GLY 268 HA2 0.03 0.12 0.39 -0.51 4.01 4.04 3husC1 GLY 268 HA3 -0.04 -0.04 0.35 -0.51 4.01 3.77 3husC1 PRO 269 HA -1.02 0.21 0.50 -0.51 4.44 3.62 3husC1 PRO 269 HB2 -0.23 -0.16 0.13 -0.04 2.28 1.98 3husC1 PRO 269 HB3 -0.26 0.16 0.13 -0.04 2.02 2.01 3husC1 PRO 269 HG2 -0.15 -0.15 0.02 -0.04 2.03 1.71 3husC1 PRO 269 HG3 -0.08 0.15 0.07 -0.04 2.03 2.13 3husC1 PRO 269 HD2 -0.10 0.10 0.19 -0.04 3.68 3.83 3husC1 PRO 269 HD3 -0.05 0.24 0.17 -0.04 3.65 3.97 3husC1 GLU 270 H -0.41 0.22 0.16 -0.55 8.60 8.02 3husC1 GLU 270 HA -0.98 0.10 0.44 -0.75 4.29 3.09 3husC1 GLU 270 HB2 -0.13 0.04 0.12 -0.04 2.09 2.07 3husC1 GLU 270 HB3 -0.08 0.03 0.06 -0.04 1.99 1.96 3husC1 GLU 270 HG2 0.19 0.03 -0.04 -0.04 2.34 2.48 3husC1 GLU 270 HG3 0.39 -0.00 0.03 -0.04 2.34 2.71 3husC1 ALA 271 H -0.17 0.07 -0.13 -0.55 8.40 7.62 3husC1 ALA 271 HA -0.06 0.14 0.47 -0.75 4.34 4.14 3husC1 ALA 271 HB3 -0.06 0.02 0.04 -0.04 1.41 1.37 3husC1 ASP 272 H -0.15 0.07 -0.44 -0.55 8.40 7.33 3husC1 ASP 272 HA -0.03 0.22 0.67 -0.75 4.63 4.73 3husC1 ASP 272 HB2 -0.06 -0.05 0.01 -0.04 2.71 2.57 3husC1 ASP 272 HB3 -0.07 -0.07 -0.01 -0.04 2.70 2.51 3husC1 LYS 273 H -0.07 0.24 -0.72 -0.55 8.42 7.31 3husC1 LYS 273 HA 0.26 0.05 0.26 -0.75 4.32 4.13 3husC1 LYS 273 HB2 0.11 0.13 -0.06 -0.04 1.87 2.00 3husC1 LYS 273 HB3 0.20 0.05 0.16 -0.04 1.79 2.16 3husC1 LYS 273 HG2 -0.04 0.02 -0.26 -0.04 1.46 1.15 3husC1 LYS 273 HG3 -0.07 0.02 -0.09 -0.04 1.46 1.28 3husC1 LYS 273 HD2 -0.48 -0.03 -0.03 -0.04 1.69 1.11 3husC1 LYS 273 HD3 -0.07 0.06 0.03 -0.04 1.68 1.66 3husC1 LYS 273 HE2 -0.31 -0.08 -0.01 -0.04 2.99 2.55 3husC1 LYS 273 HE3 -0.13 0.04 -0.01 -0.04 2.99 2.85 3husC1 TYR 274 H -0.27 0.50 -0.28 -0.55 8.29 7.69 3husC1 TYR 274 HA 0.05 0.19 0.09 -0.75 4.56 4.13 3husC1 TYR 274 HB2 0.13 0.03 -0.04 -0.04 3.06 3.14 3husC1 TYR 274 HB3 0.11 -0.02 0.01 -0.04 2.98 3.04 3husC1 TYR 274 HD2 -0.08 0.15 -0.19 -0.04 7.15 6.99 3husC1 TYR 274 HE2 -0.16 0.02 -0.13 -0.04 6.85 6.53 3husC1 ARG 275 H 0.09 0.00 -0.06 -0.55 8.46 7.93 3husC1 ARG 275 HA 0.21 0.27 0.49 -0.75 4.34 4.56 3husC1 ARG 275 HB2 0.05 0.15 -0.06 -0.04 1.90 2.00 3husC1 ARG 275 HB3 -0.01 -0.12 -0.01 -0.04 1.80 1.63 3husC1 ARG 275 HG2 -0.05 0.03 -0.39 -0.04 1.67 1.21 3husC1 ARG 275 HG3 0.04 0.03 -0.54 -0.04 1.67 1.16 3husC1 ARG 275 HD2 -0.03 -0.08 -0.13 -0.04 3.22 2.94 3husC1 ARG 275 HD3 -0.03 0.07 -0.16 -0.04 3.22 3.06 3husC1 LEU 276 H -0.20 0.67 0.33 -0.55 8.37 8.62 3husC1 LEU 276 HA -0.60 0.12 0.79 -0.75 4.35 3.92 3husC1 LEU 276 HB2 -2.49 -0.05 0.16 -0.04 1.64 -0.78 3husC1 LEU 276 HB3 -0.89 0.16 0.36 -0.04 1.64 1.24 3husC1 LEU 276 HG -0.50 -0.06 -0.17 -0.04 1.64 0.88 3husC1 LEU 276 HD13 -0.70 -0.01 -0.07 -0.04 0.93 0.11 3husC1 LEU 276 HD23 -1.33 0.01 0.03 -0.04 0.89 -0.44 3husC1 THR 277 H -0.35 0.72 0.43 -0.55 8.28 8.52 3husC1 THR 277 HA -0.20 0.05 1.01 -0.75 4.39 4.50 3husC1 THR 277 HB -0.11 0.02 -0.02 -0.04 4.32 4.17 3husC1 THR 277 HG23 -0.11 -0.01 -0.22 -0.04 1.22 0.84 3husC1 TYR 278 H -0.33 0.26 0.20 -0.55 8.29 7.87 3husC1 TYR 278 HA -0.02 0.46 0.60 -0.75 4.56 4.85 3husC1 TYR 278 HB2 0.12 0.17 -0.03 -0.04 3.06 3.28 3husC1 TYR 278 HB3 0.09 -0.03 -0.20 -0.04 2.98 2.80 3husC1 TYR 278 HD2 0.06 0.00 -0.42 -0.04 7.15 6.75 3husC1 TYR 278 HE2 0.17 -0.02 -0.22 -0.04 6.85 6.74 3husC1 ALA 279 H 0.13 0.39 0.20 -0.55 8.40 8.57 3husC1 ALA 279 HA 0.08 0.12 0.57 -0.75 4.34 4.35 3husC1 ALA 279 HB3 0.15 -0.02 0.05 -0.04 1.41 1.55 3husC1 TYR 280 H 0.03 0.18 0.15 -0.55 8.29 8.11 3husC1 TYR 280 HA 0.33 0.19 0.66 -0.75 4.56 4.98 3husC1 TYR 280 HB2 0.17 0.03 0.06 -0.04 3.06 3.28 3husC1 TYR 280 HB3 0.14 0.10 -0.19 -0.04 2.98 2.98 3husC1 TYR 280 HD2 0.09 0.11 -0.34 -0.04 7.15 6.98 3husC1 TYR 280 HE2 0.11 0.04 -0.07 -0.04 6.85 6.89 3husC1 PHE 281 H 0.52 0.20 0.12 -0.55 8.34 8.63 3husC1 PHE 281 HA -0.23 0.08 0.82 -0.75 4.62 4.54 3husC1 PHE 281 HB2 0.13 -0.02 0.10 -0.04 3.15 3.32 3husC1 PHE 281 HB3 0.12 0.04 0.19 -0.04 3.06 3.37 3husC1 PHE 281 HD2 -0.63 0.03 -0.01 -0.04 7.28 6.62 3husC1 PHE 281 HE2 -0.14 0.03 -0.10 -0.04 7.38 7.12 3husC1 PHE 281 HZ -0.01 -0.01 -0.32 -0.04 7.32 6.94 3husC1 ALA 282 H -0.51 0.34 0.25 -0.55 8.40 7.93 3husC1 ALA 282 HA 0.13 0.09 0.34 -0.75 4.34 4.15 3husC1 ALA 282 HB3 -0.15 -0.02 -0.07 -0.04 1.41 1.14 3husC1 GLY 283 H -1.42 0.21 0.07 -0.55 8.43 6.75 3husC1 GLY 283 HA2 -0.44 0.07 0.25 -0.51 4.01 3.37 3husC1 GLY 283 HA3 -0.23 0.19 0.80 -0.51 4.01 4.26 3husC1 GLY 284 H -0.04 0.18 0.14 -0.55 8.43 8.15 3husC1 GLY 284 HA2 -0.06 0.00 0.41 -0.51 4.01 3.86 3husC1 GLY 284 HA3 -0.05 0.28 0.97 -0.51 4.01 4.70 3husC1 ASP 285 H -0.06 0.12 0.28 -0.55 8.40 8.19 3husC1 ASP 285 HA 0.08 0.17 0.62 -0.75 4.63 4.74 3husC1 ASP 285 HB2 0.06 0.08 0.17 -0.04 2.71 2.97 3husC1 ASP 285 HB3 0.01 0.00 0.14 -0.04 2.70 2.82 3husC1 ALA 286 H -0.08 0.30 -0.12 -0.55 8.40 7.96 3husC1 ALA 286 HA -0.33 0.10 0.47 -0.75 4.34 3.83 3husC1 ALA 286 HB3 -0.35 -0.03 -0.26 -0.04 1.41 0.74 3husC1 GLY 287 H 0.27 0.08 -0.34 -0.55 8.43 7.90 3husC1 GLY 287 HA2 0.15 0.07 0.20 -0.51 4.01 3.92 3husC1 GLY 287 HA3 0.18 0.22 0.43 -0.51 4.01 4.33 3husC1 ASP 288 H -0.30 0.24 0.04 -0.55 8.40 7.83 3husC1 ASP 288 HA -0.45 0.08 0.70 -0.75 4.63 4.21 3husC1 ASP 288 HB2 -1.92 0.04 0.07 -0.04 2.71 0.86 3husC1 ASP 288 HB3 -0.41 0.09 0.21 -0.04 2.70 2.55 3husC1 ALA 289 H -0.36 0.30 0.05 -0.55 8.40 7.84 3husC1 ALA 289 HA -0.30 0.26 0.55 -0.75 4.34 4.09 3husC1 ALA 289 HB3 -1.68 -0.01 -0.13 -0.04 1.41 -0.45 3husC1 PHE 290 H -0.02 0.10 -0.04 -0.55 8.34 7.83 3husC1 PHE 290 HA 0.40 0.14 0.58 -0.75 4.62 4.99 3husC1 PHE 290 HB2 0.12 0.01 -0.01 -0.04 3.15 3.22 3husC1 PHE 290 HB3 0.29 0.04 -0.00 -0.04 3.06 3.35 3husC1 PHE 290 HD2 -0.63 0.02 -0.06 -0.04 7.28 6.56 3husC1 PHE 290 HE2 0.19 0.03 -0.06 -0.04 7.38 7.49 3husC1 PHE 290 HZ 0.54 0.00 -0.06 -0.04 7.32 7.77 3husC1 ASP 291 H 0.17 0.09 -0.55 -0.55 8.40 7.56 3husC1 ASP 291 HA 0.19 0.12 0.66 -0.75 4.63 4.84 3husC1 ASP 291 HB2 0.16 -0.12 0.02 -0.04 2.71 2.72 3husC1 ASP 291 HB3 0.04 0.20 0.00 -0.04 2.70 2.91 3husC1 GLY 292 H 0.09 0.08 -0.43 -0.55 8.43 7.63 3husC1 GLY 292 HA2 0.08 0.05 -0.05 -0.51 4.01 3.57 3husC1 GLY 292 HA3 0.05 0.44 0.71 -0.51 4.01 4.70 3husC1 PHE 293 H 0.13 0.26 0.03 -0.55 8.34 8.21 3husC1 PHE 293 HA -0.18 0.18 0.71 -0.75 4.62 4.58 3husC1 PHE 293 HB2 -0.32 -0.00 -0.26 -0.04 3.15 2.52 3husC1 PHE 293 HB3 -0.83 -0.03 -0.06 -0.04 3.06 2.10 3husC1 PHE 293 HD2 -1.11 -0.06 -0.27 -0.04 7.28 5.80 3husC1 PHE 293 HE2 -0.22 0.00 -0.10 -0.04 7.38 7.02 3husC1 PHE 293 HZ -0.13 0.00 -0.07 -0.04 7.32 7.08 3husC1 ASP 294 H -0.86 0.26 0.01 -0.55 8.40 7.26 3husC1 ASP 294 HA -0.14 -0.04 0.68 -0.75 4.63 4.38 3husC1 ASP 294 HB2 -0.45 0.07 0.16 -0.04 2.71 2.45 3husC1 ASP 294 HB3 -0.21 0.02 0.04 -0.04 2.70 2.51 3husC1 PHE 295 H 0.21 0.20 0.11 -0.55 8.34 8.30 3husC1 PHE 295 HA 0.22 0.17 0.45 -0.75 4.62 4.71 3husC1 PHE 295 HB2 0.06 -0.10 0.15 -0.04 3.15 3.22 3husC1 PHE 295 HB3 0.08 0.02 0.06 -0.04 3.06 3.17 3husC1 PHE 295 HD2 0.08 -0.00 0.05 -0.04 7.28 7.37 3husC1 PHE 295 HE2 -0.05 0.00 0.03 -0.04 7.38 7.31 3husC1 PHE 295 HZ -0.07 0.02 0.12 -0.04 7.32 7.34 3husC1 GLY 296 H 0.12 0.01 -0.06 -0.55 8.43 7.96 3husC1 GLY 296 HA2 0.04 0.04 0.19 -0.51 4.01 3.77 3husC1 GLY 296 HA3 0.07 0.27 0.73 -0.51 4.01 4.57 3husC1 ASP 297 H 0.14 0.03 -0.16 -0.55 8.40 7.86 3husC1 ASP 297 HA 0.06 0.14 0.41 -0.75 4.63 4.49 3husC1 ASP 297 HB2 0.06 -0.08 0.09 -0.04 2.71 2.74 3husC1 ASP 297 HB3 0.04 0.05 0.02 -0.04 2.70 2.77 3husC1 ASP 298 H 0.09 0.04 -0.04 -0.55 8.40 7.94 3husC1 ASP 298 HA 0.05 0.29 0.61 -0.75 4.63 4.83 3husC1 ASP 298 HB2 0.06 0.09 -0.25 -0.04 2.71 2.57 3husC1 ASP 298 HB3 0.10 -0.15 -0.03 -0.04 2.70 2.57 3husC1 PRO 299 HA 0.03 0.08 0.54 -0.51 4.44 4.58 3husC1 PRO 299 HB2 0.03 0.05 -0.00 -0.04 2.28 2.32 3husC1 PRO 299 HB3 0.02 0.06 0.13 -0.04 2.02 2.19 3husC1 PRO 299 HG2 0.02 0.08 0.07 -0.04 2.03 2.17 3husC1 PRO 299 HG3 0.02 0.08 0.05 -0.04 2.03 2.14 3husC1 PRO 299 HD2 0.05 0.13 0.20 -0.04 3.68 4.02 3husC1 PRO 299 HD3 0.04 0.22 0.12 -0.04 3.65 3.99 3husC1 SER 300 H 0.12 0.07 -0.53 -0.55 8.46 7.57 3husC1 SER 300 HA 0.12 0.20 0.71 -0.75 4.49 4.77 3husC1 SER 300 HB2 0.29 0.02 -0.01 -0.04 3.95 4.22 3husC1 SER 300 HB3 0.54 0.05 0.12 -0.04 3.93 4.59 3husC1 ASP 301 H 0.14 0.38 -0.26 -0.55 8.40 8.11 3husC1 ASP 301 HA 0.22 0.13 0.39 -0.75 4.63 4.62 3husC1 ASP 301 HB2 0.16 -0.02 0.25 -0.04 2.71 3.05 3husC1 ASP 301 HB3 0.39 0.12 0.16 -0.04 2.70 3.34 3husC1 LYS 302 H 0.08 0.13 -0.19 -0.55 8.42 7.89 3husC1 LYS 302 HA 0.05 -0.03 0.16 -0.75 4.32 3.75 3husC1 LYS 302 HB2 -0.02 -0.06 -0.10 -0.04 1.87 1.65 3husC1 LYS 302 HB3 0.04 0.05 -0.05 -0.04 1.79 1.79 3husC1 LYS 302 HG2 -0.00 0.03 -0.13 -0.04 1.46 1.32 3husC1 LYS 302 HG3 0.03 0.14 -0.18 -0.04 1.46 1.40 3husC1 LYS 302 HD2 -0.05 -0.14 -0.66 -0.04 1.69 0.80 3husC1 LYS 302 HD3 -0.12 -0.08 -0.20 -0.04 1.68 1.24 3husC1 LYS 302 HE2 -0.06 -0.00 -0.14 -0.04 2.99 2.75 3husC1 LYS 302 HE3 -0.02 -0.01 -0.12 -0.04 2.99 2.79 3husC1 PHE 303 H 0.16 0.06 -0.39 -0.55 8.34 7.62 3husC1 PHE 303 HA -0.10 0.16 0.50 -0.75 4.62 4.43 3husC1 PHE 303 HB2 -0.16 -0.03 0.05 -0.04 3.15 2.97 3husC1 PHE 303 HB3 -0.33 0.05 0.08 -0.04 3.06 2.81 3husC1 PHE 303 HD2 -0.95 -0.00 -0.05 -0.04 7.28 6.24 3husC1 PHE 303 HE2 -0.31 0.01 -0.02 -0.04 7.38 7.02 3husC1 PHE 303 HZ -0.13 0.01 -0.01 -0.04 7.32 7.15 3husC1 PHE 304 H 0.18 0.34 -0.16 -0.55 8.34 8.14 3husC1 PHE 304 HA -0.17 0.19 0.53 -0.75 4.62 4.42 3husC1 PHE 304 HB2 0.06 0.06 0.09 -0.04 3.15 3.32 3husC1 PHE 304 HB3 -0.01 0.03 0.14 -0.04 3.06 3.18 3husC1 PHE 304 HD2 0.08 0.03 -0.01 -0.04 7.28 7.34 3husC1 PHE 304 HE2 0.16 -0.01 0.00 -0.04 7.38 7.49 3husC1 PHE 304 HZ 0.19 -0.01 -0.00 -0.04 7.32 7.45 3husC1 THR 305 H 0.05 0.24 -0.46 -0.55 8.28 7.56 3husC1 THR 305 HA -0.01 0.06 0.59 -0.75 4.39 4.28 3husC1 THR 305 HB 0.19 -0.15 -0.23 -0.04 4.32 4.09 3husC1 THR 305 HG23 0.17 -0.03 -0.18 -0.04 1.22 1.15 3husC1 SER 306 H -0.11 0.22 -0.31 -0.55 8.46 7.72 3husC1 SER 306 HA 0.02 -0.05 0.15 -0.75 4.49 3.86 3husC1 SER 306 HB2 -0.01 -0.06 0.02 -0.04 3.95 3.86 3husC1 SER 306 HB3 -0.04 0.27 -0.05 -0.04 3.93 4.07 3husC1 HIS 307 H 0.24 0.44 0.28 -0.55 8.41 8.82 3husC1 HIS 307 HA 0.08 0.29 0.77 -0.75 4.63 5.02 3husC1 HIS 307 HB2 0.03 -0.14 0.14 -0.04 3.26 3.26 3husC1 HIS 307 HB3 -0.18 -0.01 0.17 -0.04 3.20 3.14 3husC1 HIS 307 HD2 0.59 -0.03 0.06 -0.04 6.97 7.55 3husC1 HIS 307 HE1 0.71 -0.04 0.06 -0.04 7.75 8.44 3husC1 LYS 308 H 0.10 0.22 0.03 -0.55 8.42 8.22 3husC1 LYS 308 HA -0.11 -0.02 0.51 -0.75 4.32 3.95 3husC1 LYS 308 HB2 0.06 -0.06 0.06 -0.04 1.87 1.89 3husC1 LYS 308 HB3 -0.06 0.04 0.15 -0.04 1.79 1.87 3husC1 LYS 308 HG2 -0.30 0.05 -0.11 -0.04 1.46 1.06 3husC1 LYS 308 HG3 -1.05 -0.08 0.03 -0.04 1.46 0.32 3husC1 LYS 308 HD2 -0.19 -0.10 -0.04 -0.04 1.69 1.32 3husC1 LYS 308 HD3 -0.10 -0.00 0.01 -0.04 1.68 1.54 3husC1 LYS 308 HE2 -0.48 0.23 0.02 -0.04 2.99 2.72 3husC1 LYS 308 HE3 -0.08 -0.02 0.03 -0.04 2.99 2.88 3husC1 GLY 309 H -0.17 0.52 0.46 -0.55 8.43 8.69 3husC1 GLY 309 HA2 -0.10 -0.01 0.32 -0.51 4.01 3.71 3husC1 GLY 309 HA3 -0.08 0.02 0.56 -0.51 4.01 4.00 3husC1 MET 310 H -0.08 0.30 0.16 -0.55 8.47 8.30 3husC1 MET 310 HA 0.05 0.17 0.95 -0.75 4.52 4.93 3husC1 MET 310 HB2 0.10 0.01 0.05 -0.04 2.15 2.27 3husC1 MET 310 HB3 0.15 0.15 -0.16 -0.04 2.03 2.12 3husC1 MET 310 HG2 -0.01 -0.09 -0.61 -0.04 2.63 1.88 3husC1 MET 310 HG3 0.03 0.09 -0.10 -0.04 2.56 2.54 3husC1 MET 310 HE3 0.07 0.02 0.12 -0.04 2.10 2.27 3husC1 GLN 311 H 0.12 0.20 0.15 -0.55 8.47 8.40 3husC1 GLN 311 HA 0.30 0.03 0.45 -0.75 4.36 4.39 3husC1 GLN 311 HB2 0.12 0.13 0.14 -0.04 2.15 2.50 3husC1 GLN 311 HB3 0.19 0.09 0.07 -0.04 2.02 2.33 3husC1 GLN 311 HG2 0.10 0.13 -0.03 -0.04 2.40 2.56 3husC1 GLN 311 HG3 0.08 -0.07 0.00 -0.04 2.39 2.36 3husC1 GLN 311 HE21 0.00 -0.08 -0.08 -0.04 6.97 6.77 3husC1 GLN 311 HE22 0.03 0.14 -0.05 -0.04 7.69 7.77 3husC1 PHE 312 H 0.57 0.62 0.26 -0.55 8.34 9.23 3husC1 PHE 312 HA -0.12 -0.07 0.43 -0.75 4.62 4.10 3husC1 PHE 312 HB2 0.13 0.26 0.22 -0.04 3.15 3.72 3husC1 PHE 312 HB3 0.38 -0.05 0.00 -0.04 3.06 3.35 3husC1 PHE 312 HD2 -1.18 0.01 -0.20 -0.04 7.28 5.87 3husC1 PHE 312 HE2 -1.10 -0.04 -0.12 -0.04 7.38 6.08 3husC1 PHE 312 HZ -1.13 0.09 -0.15 -0.04 7.32 6.08 3husC1 SER 313 H -0.66 0.40 0.24 -0.55 8.46 7.89 3husC1 SER 313 HA 0.15 0.27 1.03 -0.75 4.49 5.18 3husC1 SER 313 HB2 -0.03 -0.05 0.23 -0.04 3.95 4.06 3husC1 SER 313 HB3 0.02 -0.07 0.18 -0.04 3.93 4.02 3husC1 THR 314 H 0.15 0.50 0.29 -0.55 8.28 8.67 3husC1 THR 314 HA 0.03 0.36 0.89 -0.75 4.39 4.92 3husC1 THR 314 HB 0.11 -0.10 0.13 -0.04 4.32 4.42 3husC1 THR 314 HG23 0.20 0.05 -0.26 -0.04 1.22 1.17 3husC1 TRP 315 H 0.30 0.28 0.04 -0.55 7.97 8.04 3husC1 TRP 315 HA 0.04 0.01 0.29 -0.75 4.62 4.21 3husC1 TRP 315 HB2 0.04 0.04 0.02 -0.04 3.23 3.28 3husC1 TRP 315 HB3 0.04 0.12 -0.05 -0.04 3.23 3.31 3husC1 TRP 315 HD1 0.06 0.17 -0.25 -0.04 7.22 7.16 3husC1 TRP 315 HE1 0.04 -0.06 -0.17 -0.04 10.20 9.97 3husC1 TRP 315 HE3 0.03 0.01 -0.22 -0.04 7.59 7.37 3husC1 TRP 315 HZ2 0.03 -0.01 -0.02 -0.04 7.44 7.39 3husC1 TRP 315 HZ3 0.02 0.04 -0.05 -0.04 7.13 7.09 3husC1 TRP 315 HH2 0.02 0.03 -0.02 -0.04 7.19 7.18 3husC1 ASP 316 H -0.83 -0.06 -0.16 -0.55 8.40 6.80 3husC1 ASP 316 HA -0.58 0.25 0.71 -0.75 4.63 4.26 3husC1 ASP 316 HB2 -0.63 0.09 0.10 -0.04 2.71 2.23 3husC1 ASP 316 HB3 -2.02 0.03 0.04 -0.04 2.70 0.72 3husC1 ASN 317 H -0.19 -0.03 -0.37 -0.55 8.53 7.39 3husC1 ASN 317 HA -0.29 0.24 0.87 -0.75 4.76 4.82 3husC1 ASN 317 HB2 -0.55 -0.09 -0.09 -0.04 2.88 2.11 3husC1 ASN 317 HB3 -0.46 -0.12 0.14 -0.04 2.79 2.31 3husC1 ASN 317 HD21 -1.29 0.08 -0.05 -0.04 7.03 5.73 3husC1 ASN 317 HD22 -3.63 -0.09 -0.04 -0.04 7.74 3.94 3husC1 ASP 318 H -0.14 0.21 0.03 -0.55 8.40 7.95 3husC1 ASP 318 HA -0.03 0.00 0.69 -0.75 4.63 4.54 3husC1 ASP 318 HB2 -0.03 -0.00 0.03 -0.04 2.71 2.67 3husC1 ASP 318 HB3 -0.05 0.07 0.12 -0.04 2.70 2.80 3husC1 ASN 319 H 0.00 0.02 0.23 -0.55 8.53 8.24 3husC1 ASN 319 HA -0.02 0.18 0.71 -0.75 4.76 4.88 3husC1 ASN 319 HB2 0.04 0.17 -0.10 -0.04 2.88 2.95 3husC1 ASN 319 HB3 0.04 -0.02 0.13 -0.04 2.79 2.90 3husC1 ASN 319 HD21 -0.40 -0.10 -0.16 -0.04 7.03 6.33 3husC1 ASN 319 HD22 -0.25 0.17 -0.13 -0.04 7.74 7.49 3husC1 ASP 320 H 0.05 -0.08 0.13 -0.55 8.40 7.96 3husC1 ASP 320 HA 0.09 0.42 0.81 -0.75 4.63 5.19 3husC1 ASP 320 HB2 0.12 0.26 0.01 -0.04 2.71 3.07 3husC1 ASP 320 HB3 0.10 -0.05 -0.02 -0.04 2.70 2.68 3husC1 LYS 321 H 0.11 0.39 0.23 -0.55 8.42 8.60 3husC1 LYS 321 HA 0.09 0.15 0.68 -0.75 4.32 4.50 3husC1 LYS 321 HB2 0.18 0.02 0.05 -0.04 1.87 2.08 3husC1 LYS 321 HB3 0.23 -0.07 0.19 -0.04 1.79 2.10 3husC1 LYS 321 HG2 0.08 0.04 -0.02 -0.04 1.46 1.52 3husC1 LYS 321 HG3 0.07 0.02 0.03 -0.04 1.46 1.54 3husC1 LYS 321 HD2 0.14 -0.06 0.02 -0.04 1.69 1.76 3husC1 LYS 321 HD3 0.09 0.04 -0.01 -0.04 1.68 1.75 3husC1 LYS 321 HE2 0.05 0.02 0.01 -0.04 2.99 3.02 3husC1 LYS 321 HE3 0.06 -0.05 -0.01 -0.04 2.99 2.96 3husC1 PHE 322 H 0.16 0.12 -0.54 -0.55 8.34 7.52 3husC1 PHE 322 HA -0.08 0.15 0.89 -0.75 4.62 4.82 3husC1 PHE 322 HB2 -0.07 0.07 -0.02 -0.04 3.15 3.09 3husC1 PHE 322 HB3 -0.04 -0.06 -0.08 -0.04 3.06 2.83 3husC1 PHE 322 HD2 -0.11 0.04 -0.22 -0.04 7.28 6.95 3husC1 PHE 322 HE2 -0.11 0.04 -0.08 -0.04 7.38 7.18 3husC1 PHE 322 HZ -0.12 0.07 -0.05 -0.04 7.32 7.18 3husC1 GLU 323 H -0.73 0.09 0.11 -0.55 8.60 7.52 3husC1 GLU 323 HA -0.25 0.12 0.38 -0.75 4.29 3.78 3husC1 GLU 323 HB2 -0.64 -0.09 0.10 -0.04 2.09 1.42 3husC1 GLU 323 HB3 -0.28 0.03 0.02 -0.04 1.99 1.72 3husC1 GLU 323 HG2 -0.15 0.01 0.03 -0.04 2.34 2.18 3husC1 GLU 323 HG3 -0.16 0.06 0.02 -0.04 2.34 2.22 3husC1 GLY 324 H -1.84 -0.05 -0.17 -0.55 8.43 5.81 3husC1 GLY 324 HA2 -0.16 0.20 0.61 -0.51 4.01 4.15 3husC1 GLY 324 HA3 -0.17 -0.05 0.28 -0.51 4.01 3.57 3husC1 ASN 325 H 0.13 0.19 0.04 -0.55 8.53 8.35 3husC1 ASN 325 HA 0.13 0.23 0.94 -0.75 4.76 5.30 3husC1 ASN 325 HB2 0.08 0.13 -0.04 -0.04 2.88 3.01 3husC1 ASN 325 HB3 0.12 -0.06 0.14 -0.04 2.79 2.95 3husC1 ASN 325 HD21 0.12 0.13 0.02 -0.04 7.03 7.26 3husC1 ASN 325 HD22 0.15 0.07 0.04 -0.04 7.74 7.96 3husC1 CYS 326 H 0.17 0.28 0.04 -0.55 8.50 8.45 3husC1 CYS 326 HA 0.00 0.12 0.41 -0.75 4.58 4.35 3husC1 CYS 326 HB2 0.09 0.03 0.03 -0.04 2.97 3.08 3husC1 CYS 326 HB3 0.05 0.03 -0.10 -0.04 2.97 2.91 3husC1 ALA 327 H 0.10 0.11 -0.14 -0.55 8.40 7.92 3husC1 ALA 327 HA 0.11 0.13 0.35 -0.75 4.34 4.18 3husC1 ALA 327 HB3 0.07 0.12 -0.17 -0.04 1.41 1.38 3husC1 GLU 328 H 0.14 0.05 -0.42 -0.55 8.60 7.82 3husC1 GLU 328 HA 0.18 0.11 0.59 -0.75 4.29 4.42 3husC1 GLU 328 HB2 0.24 0.00 0.06 -0.04 2.09 2.35 3husC1 GLU 328 HB3 0.14 0.05 0.04 -0.04 1.99 2.18 3husC1 GLU 328 HG2 0.08 0.05 -0.10 -0.04 2.34 2.32 3husC1 GLU 328 HG3 0.16 -0.04 0.03 -0.04 2.34 2.45 3husC1 GLN 329 H 0.10 0.32 -0.12 -0.55 8.47 8.22 3husC1 GLN 329 HA 0.09 0.09 0.43 -0.75 4.36 4.22 3husC1 GLN 329 HB2 0.04 0.03 0.12 -0.04 2.15 2.29 3husC1 GLN 329 HB3 0.09 -0.02 -0.05 -0.04 2.02 2.00 3husC1 GLN 329 HG2 0.12 0.02 0.01 -0.04 2.40 2.51 3husC1 GLN 329 HG3 0.11 0.01 0.07 -0.04 2.39 2.54 3husC1 GLN 329 HE21 0.14 -0.01 -0.06 -0.04 6.97 7.00 3husC1 GLN 329 HE22 0.16 0.04 -0.03 -0.04 7.69 7.82 3husC1 ASP 330 H 0.08 0.28 -0.27 -0.55 8.40 7.95 3husC1 ASP 330 HA 0.11 0.13 0.61 -0.75 4.63 4.73 3husC1 ASP 330 HB2 0.08 0.01 -0.03 -0.04 2.71 2.74 3husC1 ASP 330 HB3 0.04 -0.01 0.03 -0.04 2.70 2.73 3husC1 GLY 331 H 0.10 0.03 -0.56 -0.55 8.43 7.46 3husC1 GLY 331 HA2 0.07 0.01 0.31 -0.51 4.01 3.88 3husC1 GLY 331 HA3 0.05 0.02 0.31 -0.51 4.01 3.88 3husC1 SER 332 H 0.12 0.49 0.18 -0.55 8.46 8.71 3husC1 SER 332 HA 0.15 0.29 0.65 -0.75 4.49 4.82 3husC1 SER 332 HB2 -0.03 0.01 -0.12 -0.04 3.95 3.77 3husC1 SER 332 HB3 0.03 0.17 -0.40 -0.04 3.93 3.69 3husC1 GLY 333 H -0.10 0.31 0.20 -0.55 8.43 8.29 3husC1 GLY 333 HA2 -0.46 0.31 1.09 -0.51 4.01 4.44 3husC1 GLY 333 HA3 -1.46 -0.03 0.40 -0.51 4.01 2.41 3husC1 TRP 334 H -0.57 0.56 0.30 -0.55 7.97 7.72 3husC1 TRP 334 HA -1.01 0.11 0.73 -0.75 4.62 3.70 3husC1 TRP 334 HB2 -0.23 0.00 -0.42 -0.04 3.23 2.54 3husC1 TRP 334 HB3 -0.08 0.00 -0.20 -0.04 3.23 2.91 3husC1 TRP 334 HD1 0.32 0.04 -0.32 -0.04 7.22 7.21 3husC1 TRP 334 HE1 -0.49 0.03 0.07 -0.04 10.20 9.78 3husC1 TRP 334 HE3 -0.23 0.24 0.12 -0.04 7.59 7.68 3husC1 TRP 334 HZ2 0.69 0.00 -0.06 -0.04 7.44 8.03 3husC1 TRP 334 HZ3 0.34 0.07 -0.04 -0.04 7.13 7.45 3husC1 TRP 334 HH2 0.61 0.03 -0.05 -0.04 7.19 7.73 3husC1 TRP 335 H -1.31 0.12 0.09 -0.55 7.97 6.32 3husC1 TRP 335 HA -0.18 0.26 0.51 -0.75 4.62 4.45 3husC1 TRP 335 HB2 -0.47 -0.10 0.22 -0.04 3.23 2.83 3husC1 TRP 335 HB3 -0.10 0.18 0.02 -0.04 3.23 3.29 3husC1 TRP 335 HD1 0.12 0.18 0.01 -0.04 7.22 7.48 3husC1 TRP 335 HE1 0.19 0.15 -0.02 -0.04 10.20 10.48 3husC1 TRP 335 HE3 -1.82 -0.03 0.07 -0.04 7.59 5.77 3husC1 TRP 335 HZ2 0.14 -0.00 -0.06 -0.04 7.44 7.47 3husC1 TRP 335 HZ3 -0.57 -0.05 -0.01 -0.04 7.13 6.45 3husC1 TRP 335 HH2 0.47 -0.03 -0.05 -0.04 7.19 7.54 3husC1 MET 336 H 0.06 0.34 0.15 -0.55 8.47 8.47 3husC1 MET 336 HA 0.41 0.08 0.23 -0.75 4.52 4.49 3husC1 MET 336 HB2 0.11 -0.03 0.09 -0.04 2.15 2.28 3husC1 MET 336 HB3 0.15 -0.08 -0.07 -0.04 2.03 1.98 3husC1 MET 336 HG2 0.17 0.09 -0.12 -0.04 2.63 2.73 3husC1 MET 336 HG3 0.12 -0.17 -0.16 -0.04 2.56 2.31 3husC1 MET 336 HE3 0.15 0.01 -0.35 -0.04 2.10 1.87 3husC1 ASN 337 H 0.16 0.79 0.27 -0.55 8.53 9.20 3husC1 ASN 337 HA 0.09 0.11 0.94 -0.75 4.76 5.15 3husC1 ASN 337 HB2 -0.01 0.20 -0.08 -0.04 2.88 2.94 3husC1 ASN 337 HB3 -0.00 -0.13 -0.04 -0.04 2.79 2.58 3husC1 ASN 337 HD21 -0.30 0.10 0.04 -0.04 7.03 6.83 3husC1 ASN 337 HD22 -0.13 -0.08 -0.27 -0.04 7.74 7.21 3husC1 LYS 338 H 0.03 0.44 0.04 -0.55 8.42 8.37 3husC1 LYS 338 HA -0.14 -0.06 0.35 -0.75 4.32 3.72 3husC1 LYS 338 HB2 0.07 0.12 -0.28 -0.04 1.87 1.75 3husC1 LYS 338 HB3 0.01 0.01 0.15 -0.04 1.79 1.92 3husC1 LYS 338 HG2 -0.33 -0.07 0.04 -0.04 1.46 1.06 3husC1 LYS 338 HG3 -0.06 -0.10 0.02 -0.04 1.46 1.27 3husC1 LYS 338 HD2 -0.24 0.35 0.07 -0.04 1.69 1.83 3husC1 LYS 338 HD3 -1.33 -0.03 0.03 -0.04 1.68 0.31 3husC1 LYS 338 HE2 0.27 -0.12 0.06 -0.04 2.99 3.16 3husC1 LYS 338 HE3 -0.26 0.03 0.05 -0.04 2.99 2.77 3husC1 CYS 339 H -0.29 0.03 0.12 -0.55 8.50 7.81 3husC1 CYS 339 HA -0.06 0.04 0.11 -0.75 4.58 3.92 3husC1 CYS 339 HB2 -0.34 0.09 0.05 -0.04 2.97 2.73 3husC1 CYS 339 HB3 0.01 -0.00 -0.12 -0.04 2.97 2.82 3husC1 HIS 340 H -0.37 0.21 0.19 -0.55 8.41 7.89 3husC1 HIS 340 HA 0.10 0.21 0.58 -0.75 4.63 4.76 3husC1 HIS 340 HB2 0.43 0.06 -0.14 -0.04 3.26 3.57 3husC1 HIS 340 HB3 0.40 0.08 -0.29 -0.04 3.20 3.35 3husC1 HIS 340 HD2 -0.22 -0.06 -0.26 -0.04 6.97 6.39 3husC1 HIS 340 HE1 -0.24 0.03 -0.23 -0.04 7.75 7.26 3husC1 ALA 341 H 0.62 0.16 0.18 -0.55 8.40 8.82 3husC1 ALA 341 HA 0.37 0.16 0.77 -0.75 4.34 4.89 3husC1 ALA 341 HB3 0.14 0.05 0.06 -0.04 1.41 1.61 3husC1 GLY 342 H 0.71 0.14 0.12 -0.55 8.43 8.85 3husC1 GLY 342 HA2 0.09 0.26 0.78 -0.51 4.01 4.63 3husC1 GLY 342 HA3 -0.05 -0.03 0.28 -0.51 4.01 3.69 3husC1 HIS 343 H 0.06 0.74 0.06 -0.55 8.41 8.73 3husC1 HIS 343 HA -1.38 0.11 0.77 -0.75 4.63 3.39 3husC1 HIS 343 HB2 -0.81 -0.03 -0.35 -0.04 3.26 2.03 3husC1 HIS 343 HB3 -0.34 0.08 0.15 -0.04 3.20 3.04 3husC1 HIS 343 HD2 -0.86 -0.01 -0.17 -0.04 6.97 5.88 3husC1 HIS 343 HE1 -0.10 0.21 -0.10 -0.04 7.75 7.71 3husC1 LEU 344 H -1.46 0.18 -0.04 -0.55 8.37 6.50 3husC1 LEU 344 HA -0.21 0.13 0.31 -0.75 4.35 3.82 3husC1 LEU 344 HB2 0.15 0.02 -0.05 -0.04 1.64 1.72 3husC1 LEU 344 HB3 0.01 0.03 -0.02 -0.04 1.64 1.62 3husC1 LEU 344 HG 0.25 -0.05 -0.11 -0.04 1.64 1.69 3husC1 LEU 344 HD13 0.29 0.00 -0.10 -0.04 0.93 1.08 3husC1 LEU 344 HD23 0.07 0.02 -0.19 -0.04 0.89 0.74 3husC1 ASN 345 H -0.86 0.03 -0.23 -0.55 8.53 6.92 3husC1 ASN 345 HA -0.25 0.20 0.77 -0.75 4.76 4.72 3husC1 ASN 345 HB2 -0.00 -0.01 0.02 -0.04 2.88 2.84 3husC1 ASN 345 HB3 0.29 0.00 0.24 -0.04 2.79 3.28 3husC1 ASN 345 HD21 -1.04 -0.10 0.06 -0.04 7.03 5.91 3husC1 ASN 345 HD22 -0.15 0.60 0.25 -0.04 7.74 8.40 3husC1 GLY 346 H -0.55 0.12 -0.62 -0.55 8.43 6.84 3husC1 GLY 346 HA2 -0.30 0.09 0.14 -0.51 4.01 3.44 3husC1 GLY 346 HA3 -0.28 0.15 0.02 -0.51 4.01 3.39 3husC1 VAL 347 H 0.03 0.67 0.22 -0.55 8.24 8.61 3husC1 VAL 347 HA -0.06 0.04 0.51 -0.75 4.13 3.88 3husC1 VAL 347 HB -0.21 -0.11 -0.07 -0.04 2.12 1.67 3husC1 VAL 347 HG13 -0.38 0.00 -0.15 -0.04 0.97 0.39 3husC1 VAL 347 HG23 0.00 0.05 0.05 -0.04 0.95 1.01 3husC1 TYR 348 H 0.02 0.16 0.14 -0.55 8.29 8.06 3husC1 TYR 348 HA -0.03 0.05 0.50 -0.75 4.56 4.33 3husC1 TYR 348 HB2 -0.07 -0.01 0.10 -0.04 3.06 3.04 3husC1 TYR 348 HB3 -0.04 0.03 0.18 -0.04 2.98 3.10 3husC1 TYR 348 HD2 0.01 -0.05 -0.24 -0.04 7.15 6.83 3husC1 TYR 348 HE2 0.16 0.09 -0.18 -0.04 6.85 6.88 3husC1 TYR 349 H -0.09 0.15 0.16 -0.55 8.29 7.96 3husC1 TYR 349 HA -0.08 0.14 0.78 -0.75 4.56 4.64 3husC1 TYR 349 HB2 -0.24 -0.04 0.06 -0.04 3.06 2.80 3husC1 TYR 349 HB3 -0.14 0.04 -0.18 -0.04 2.98 2.66 3husC1 TYR 349 HD2 -0.35 0.02 -0.03 -0.04 7.15 6.75 3husC1 TYR 349 HE2 -0.26 -0.02 -0.17 -0.04 6.85 6.37 3husC1 GLN 350 H 0.04 0.17 0.10 -0.55 8.47 8.23 3husC1 GLN 350 HA -0.06 0.10 0.46 -0.75 4.36 4.11 3husC1 GLN 350 HB2 0.10 0.06 0.10 -0.04 2.15 2.37 3husC1 GLN 350 HB3 -0.04 -0.01 0.08 -0.04 2.02 2.01 3husC1 GLN 350 HG2 0.04 -0.00 -0.00 -0.04 2.40 2.40 3husC1 GLN 350 HG3 -0.11 -0.02 -0.03 -0.04 2.39 2.19 3husC1 GLN 350 HE21 0.47 0.05 0.03 -0.04 6.97 7.48 3husC1 GLN 350 HE22 0.34 -0.04 0.02 -0.04 7.69 7.97 3husC1 GLY 351 H -2.10 0.20 0.09 -0.55 8.43 6.08 3husC1 GLY 351 HA2 -0.98 0.02 0.40 -0.51 4.01 2.94 3husC1 GLY 351 HA3 -0.55 0.18 0.76 -0.51 4.01 3.89 3husC1 GLY 352 H -0.56 0.26 -0.68 -0.55 8.43 6.90 3husC1 GLY 352 HA2 -0.40 0.23 0.35 -0.51 4.01 3.68 3husC1 GLY 352 HA3 -0.71 0.12 0.87 -0.51 4.01 3.78 3husC1 THR 353 H -0.18 0.18 -0.17 -0.55 8.28 7.57 3husC1 THR 353 HA 0.04 0.22 0.67 -0.75 4.39 4.57 3husC1 THR 353 HB -0.01 0.01 -0.02 -0.04 4.32 4.26 3husC1 THR 353 HG23 0.17 0.00 0.01 -0.04 1.22 1.36 3husC1 TYR 354 H -0.15 0.46 0.22 -0.55 8.29 8.27 3husC1 TYR 354 HA -0.15 0.12 0.75 -0.75 4.56 4.52 3husC1 TYR 354 HB2 -0.49 -0.00 0.01 -0.04 3.06 2.54 3husC1 TYR 354 HB3 -0.41 0.04 -0.21 -0.04 2.98 2.36 3husC1 TYR 354 HD2 -0.25 0.18 -0.18 -0.04 7.15 6.86 3husC1 TYR 354 HE2 0.08 -0.03 -0.25 -0.04 6.85 6.60 3husC1 SER 355 H -0.10 0.11 0.10 -0.55 8.46 8.03 3husC1 SER 355 HA -0.67 0.24 0.73 -0.75 4.49 4.03 3husC1 SER 355 HB2 -0.39 -0.07 0.18 -0.04 3.95 3.63 3husC1 SER 355 HB3 -0.26 0.11 0.04 -0.04 3.93 3.77 3husC1 LYS 356 H -0.81 0.19 0.14 -0.55 8.42 7.39 3husC1 LYS 356 HA -0.29 0.08 0.42 -0.75 4.32 3.77 3husC1 LYS 356 HB2 -0.84 -0.01 0.10 -0.04 1.87 1.09 3husC1 LYS 356 HB3 -0.33 0.03 0.02 -0.04 1.79 1.47 3husC1 LYS 356 HG2 -0.08 0.02 0.01 -0.04 1.46 1.36 3husC1 LYS 356 HG3 0.12 0.02 -0.05 -0.04 1.46 1.51 3husC1 LYS 356 HD2 -0.14 -0.03 -0.00 -0.04 1.69 1.48 3husC1 LYS 356 HD3 -0.09 0.08 0.05 -0.04 1.68 1.68 3husC1 LYS 356 HE2 0.20 0.08 0.05 -0.04 2.99 3.29 3husC1 LYS 356 HE3 -0.07 -0.08 0.02 -0.04 2.99 2.82 3husC1 ALA 357 H -0.21 -0.02 -0.19 -0.55 8.40 7.44 3husC1 ALA 357 HA -0.06 0.19 0.40 -0.75 4.34 4.11 3husC1 ALA 357 HB3 -0.08 0.00 0.01 -0.04 1.41 1.30 3husC1 SER 358 H -0.02 0.03 -0.42 -0.55 8.46 7.50 3husC1 SER 358 HA 0.07 0.11 0.44 -0.75 4.49 4.35 3husC1 SER 358 HB2 0.11 0.10 -0.02 -0.04 3.95 4.11 3husC1 SER 358 HB3 0.24 0.03 -0.00 -0.04 3.93 4.15 3husC1 THR 359 H 0.11 0.10 -0.46 -0.55 8.28 7.49 3husC1 THR 359 HA 0.22 0.13 0.49 -0.75 4.39 4.48 3husC1 THR 359 HB 0.17 0.07 0.02 -0.04 4.32 4.54 3husC1 THR 359 HG23 0.21 -0.06 -0.02 -0.04 1.22 1.31 3husC1 PRO 360 HA 0.04 0.14 0.47 -0.51 4.44 4.58 3husC1 PRO 360 HB2 0.05 0.02 -0.02 -0.04 2.28 2.28 3husC1 PRO 360 HB3 0.04 0.03 0.10 -0.04 2.02 2.14 3husC1 PRO 360 HG2 0.08 0.05 0.11 -0.04 2.03 2.23 3husC1 PRO 360 HG3 0.05 0.05 0.07 -0.04 2.03 2.17 3husC1 PRO 360 HD2 0.15 0.03 0.25 -0.04 3.68 4.06 3husC1 PRO 360 HD3 0.10 0.26 0.21 -0.04 3.65 4.18 3husC1 ASN 361 H 0.11 0.03 -0.12 -0.55 8.53 8.00 3husC1 ASN 361 HA 0.07 0.21 0.77 -0.75 4.76 5.07 3husC1 ASN 361 HB2 0.20 0.02 0.08 -0.04 2.88 3.14 3husC1 ASN 361 HB3 0.29 -0.04 -0.05 -0.04 2.79 2.95 3husC1 ASN 361 HD21 0.07 0.00 -0.02 -0.04 7.03 7.04 3husC1 ASN 361 HD22 0.10 -0.09 -0.02 -0.04 7.74 7.69 3husC1 GLY 362 H 0.07 -0.04 -0.09 -0.55 8.43 7.83 3husC1 GLY 362 HA2 -0.04 0.13 0.24 -0.51 4.01 3.83 3husC1 GLY 362 HA3 -0.25 0.20 0.79 -0.51 4.01 4.24 3husC1 TYR 363 H 0.15 0.07 0.00 -0.55 8.29 7.97 3husC1 TYR 363 HA 0.06 0.14 0.85 -0.75 4.56 4.86 3husC1 TYR 363 HB2 -0.02 0.01 -0.07 -0.04 3.06 2.94 3husC1 TYR 363 HB3 -0.13 0.03 -0.06 -0.04 2.98 2.78 3husC1 TYR 363 HD2 -0.04 -0.03 -0.14 -0.04 7.15 6.90 3husC1 TYR 363 HE2 -0.01 0.01 -0.10 -0.04 6.85 6.71 3husC1 ASP 364 H -0.30 0.11 0.05 -0.55 8.40 7.72 3husC1 ASP 364 HA 0.15 -0.04 0.31 -0.75 4.63 4.30 3husC1 ASP 364 HB2 -0.26 0.10 0.01 -0.04 2.71 2.53 3husC1 ASP 364 HB3 -1.44 -0.01 0.04 -0.04 2.70 1.24 3husC1 ASN 365 H 0.30 -0.02 0.20 -0.55 8.53 8.46 3husC1 ASN 365 HA 0.05 0.16 0.83 -0.75 4.76 5.05 3husC1 ASN 365 HB2 0.17 0.25 0.27 -0.04 2.88 3.53 3husC1 ASN 365 HB3 0.15 0.07 -0.01 -0.04 2.79 2.96 3husC1 ASN 365 HD21 0.16 -0.03 -0.01 -0.04 7.03 7.11 3husC1 ASN 365 HD22 0.12 0.16 0.01 -0.04 7.74 7.99 3husC1 GLY 366 H 0.26 -0.08 0.07 -0.55 8.43 8.13 3husC1 GLY 366 HA2 0.12 0.37 0.56 -0.51 4.01 4.55 3husC1 GLY 366 HA3 0.04 -0.01 0.25 -0.51 4.01 3.78 3husC1 ILE 367 H 0.04 0.20 0.05 -0.55 8.25 7.98 3husC1 ILE 367 HA -0.07 0.44 0.59 -0.75 4.18 4.38 3husC1 ILE 367 HB -0.01 -0.18 0.21 -0.04 1.89 1.86 3husC1 ILE 367 HG12 -0.15 0.06 -0.23 -0.04 1.49 1.13 3husC1 ILE 367 HG13 -0.06 0.01 -0.31 -0.04 1.21 0.81 3husC1 ILE 367 HG23 -0.05 -0.02 -0.11 -0.04 0.93 0.71 3husC1 ILE 367 HD13 -0.01 0.02 -0.13 -0.04 0.88 0.72 3husC1 ILE 368 H 0.09 0.29 0.22 -0.55 8.25 8.29 3husC1 ILE 368 HA 0.23 0.34 0.88 -0.75 4.18 4.87 3husC1 ILE 368 HB 0.13 -0.01 -0.04 -0.04 1.89 1.93 3husC1 ILE 368 HG12 0.17 0.13 -0.12 -0.04 1.49 1.63 3husC1 ILE 368 HG13 0.17 -0.24 -0.25 -0.04 1.21 0.85 3husC1 ILE 368 HG23 0.17 0.12 -0.31 -0.04 0.93 0.88 3husC1 ILE 368 HD13 0.17 -0.00 -0.18 -0.04 0.88 0.83 3husC1 TRP 369 H 0.30 0.30 -0.07 -0.55 7.97 7.95 3husC1 TRP 369 HA 0.06 0.05 0.58 -0.75 4.62 4.56 3husC1 TRP 369 HB2 0.09 0.07 -0.21 -0.04 3.23 3.14 3husC1 TRP 369 HB3 0.21 -0.01 0.11 -0.04 3.23 3.49 3husC1 TRP 369 HD1 0.15 0.06 -0.06 -0.04 7.22 7.32 3husC1 TRP 369 HE1 -0.01 0.26 -0.42 -0.04 10.20 9.99 3husC1 TRP 369 HE3 -0.00 0.08 0.03 -0.04 7.59 7.66 3husC1 TRP 369 HZ2 -0.05 0.08 0.02 -0.04 7.44 7.45 3husC1 TRP 369 HZ3 -0.05 0.01 -0.08 -0.04 7.13 6.97 3husC1 TRP 369 HH2 -1.23 0.01 -0.04 -0.04 7.19 5.89 3husC1 ALA 370 H -0.21 0.53 0.07 -0.55 8.40 8.24 3husC1 ALA 370 HA -0.31 0.23 0.15 -0.75 4.34 3.66 3husC1 ALA 370 HB3 -0.78 -0.01 0.03 -0.04 1.41 0.62 3husC1 THR 371 H -0.43 -0.04 -0.43 -0.55 8.28 6.84 3husC1 THR 371 HA -0.09 0.09 0.40 -0.75 4.39 4.03 3husC1 THR 371 HB 0.09 -0.00 -0.00 -0.04 4.32 4.37 3husC1 THR 371 HG23 -0.03 -0.03 -0.29 -0.04 1.22 0.84 3husC1 TRP 372 H 0.33 0.32 -0.12 -0.55 7.97 7.95 3husC1 TRP 372 HA 0.08 0.20 0.93 -0.75 4.62 5.06 3husC1 TRP 372 HB2 0.29 0.17 0.09 -0.04 3.23 3.74 3husC1 TRP 372 HB3 0.23 -0.07 0.09 -0.04 3.23 3.44 3husC1 TRP 372 HD1 0.06 0.17 0.10 -0.04 7.22 7.50 3husC1 TRP 372 HE1 0.01 -0.01 -0.07 -0.04 10.20 10.09 3husC1 TRP 372 HE3 0.07 0.03 -0.13 -0.04 7.59 7.52 3husC1 TRP 372 HZ2 -0.01 -0.03 -0.23 -0.04 7.44 7.13 3husC1 TRP 372 HZ3 0.05 -0.04 -0.24 -0.04 7.13 6.85 3husC1 TRP 372 HH2 0.01 -0.07 -0.17 -0.04 7.19 6.92 3husC1 LYS 373 H 0.17 0.37 0.12 -0.55 8.42 8.52 3husC1 LYS 373 HA -0.31 0.18 0.82 -0.75 4.32 4.26 3husC1 LYS 373 HB2 0.10 0.01 -0.04 -0.04 1.87 1.90 3husC1 LYS 373 HB3 -0.22 -0.08 0.05 -0.04 1.79 1.50 3husC1 LYS 373 HG2 -0.91 -0.03 -0.38 -0.04 1.46 0.10 3husC1 LYS 373 HG3 -0.29 -0.03 -0.13 -0.04 1.46 0.97 3husC1 LYS 373 HD2 -1.10 -0.04 -0.02 -0.04 1.69 0.48 3husC1 LYS 373 HD3 -0.76 0.12 0.01 -0.04 1.68 1.01 3husC1 LYS 373 HE2 -1.85 0.05 -0.10 -0.04 2.99 1.05 3husC1 LYS 373 HE3 -0.86 -0.10 -0.05 -0.04 2.99 1.94 3husC1 THR 374 H -0.14 0.06 0.05 -0.55 8.28 7.70 3husC1 THR 374 HA -0.06 0.18 0.45 -0.75 4.39 4.21 3husC1 THR 374 HB -0.02 0.08 0.07 -0.04 4.32 4.41 3husC1 THR 374 HG23 0.05 -0.03 -0.19 -0.04 1.22 1.01 3husC1 ARG 375 H -0.00 0.16 0.13 -0.55 8.46 8.20 3husC1 ARG 375 HA -0.09 0.10 0.36 -0.75 4.34 3.96 3husC1 ARG 375 HB2 0.04 0.03 0.14 -0.04 1.90 2.08 3husC1 ARG 375 HB3 -0.54 -0.01 0.07 -0.04 1.80 1.27 3husC1 ARG 375 HG2 -0.79 -0.02 0.02 -0.04 1.67 0.83 3husC1 ARG 375 HG3 -0.38 0.04 0.06 -0.04 1.67 1.35 3husC1 ARG 375 HD2 -0.88 0.00 -0.02 -0.04 3.22 2.29 3husC1 ARG 375 HD3 -0.80 -0.05 0.02 -0.04 3.22 2.35 3husC1 TRP 376 H 0.04 0.03 -0.37 -0.55 7.97 7.12 3husC1 TRP 376 HA -0.62 0.16 0.72 -0.75 4.62 4.13 3husC1 TRP 376 HB2 -0.22 -0.06 0.13 -0.04 3.23 3.04 3husC1 TRP 376 HB3 -0.55 0.45 0.28 -0.04 3.23 3.37 3husC1 TRP 376 HD1 -0.08 -0.01 0.00 -0.04 7.22 7.09 3husC1 TRP 376 HE1 -0.06 0.04 -0.02 -0.04 10.20 10.12 3husC1 TRP 376 HE3 -0.76 0.14 -0.18 -0.04 7.59 6.75 3husC1 TRP 376 HZ2 -0.08 0.07 -0.01 -0.04 7.44 7.37 3husC1 TRP 376 HZ3 0.03 0.03 -0.29 -0.04 7.13 6.86 3husC1 TRP 376 HH2 -0.07 0.12 -0.20 -0.04 7.19 7.00 3husC1 TYR 377 H 0.11 0.39 -0.49 -0.55 8.29 7.75 3husC1 TYR 377 HA 0.10 0.24 0.72 -0.75 4.56 4.86 3husC1 TYR 377 HB2 0.00 -0.10 -0.26 -0.04 3.06 2.67 3husC1 TYR 377 HB3 0.03 0.04 -0.06 -0.04 2.98 2.95 3husC1 TYR 377 HD2 0.04 -0.01 -0.23 -0.04 7.15 6.92 3husC1 TYR 377 HE2 0.08 -0.06 -0.03 -0.04 6.85 6.80 3husC1 SER 378 H -0.09 0.69 0.21 -0.55 8.46 8.72 3husC1 SER 378 HA 0.14 0.32 0.74 -0.75 4.49 4.94 3husC1 SER 378 HB2 0.13 -0.08 0.06 -0.04 3.95 4.01 3husC1 SER 378 HB3 0.04 0.09 0.15 -0.04 3.93 4.17 3husC1 MET 379 H 0.07 0.38 0.22 -0.55 8.47 8.60 3husC1 MET 379 HA 0.13 -0.03 0.48 -0.75 4.52 4.34 3husC1 MET 379 HB2 0.01 -0.03 -0.10 -0.04 2.15 2.00 3husC1 MET 379 HB3 0.05 0.05 -0.03 -0.04 2.03 2.06 3husC1 MET 379 HG2 0.20 0.35 -0.04 -0.04 2.63 3.09 3husC1 MET 379 HG3 0.15 -0.06 -0.16 -0.04 2.56 2.44 3husC1 MET 379 HE3 0.50 0.00 -0.11 -0.04 2.10 2.46 3husC1 LYS 380 H -0.30 0.24 0.33 -0.55 8.42 8.13 3husC1 LYS 380 HA -0.81 0.09 0.56 -0.75 4.32 3.40 3husC1 LYS 380 HB2 -2.00 -0.16 -0.15 -0.04 1.87 -0.48 3husC1 LYS 380 HB3 -0.60 0.13 -0.04 -0.04 1.79 1.24 3husC1 LYS 380 HG2 -0.57 0.07 -0.11 -0.04 1.46 0.81 3husC1 LYS 380 HG3 -1.94 -0.05 0.02 -0.04 1.46 -0.54 3husC1 LYS 380 HD2 -0.65 -0.08 -0.00 -0.04 1.69 0.92 3husC1 LYS 380 HD3 -0.37 0.05 -0.05 -0.04 1.68 1.27 3husC1 LYS 380 HE2 -0.22 0.01 -0.02 -0.04 2.99 2.72 3husC1 LYS 380 HE3 -0.24 -0.03 0.01 -0.04 2.99 2.68 3husC1 LYS 381 H -0.18 0.50 0.26 -0.55 8.42 8.45 3husC1 LYS 381 HA -0.10 0.37 0.93 -0.75 4.32 4.77 3husC1 LYS 381 HB2 -0.13 -0.10 0.10 -0.04 1.87 1.69 3husC1 LYS 381 HB3 -0.12 0.00 -0.00 -0.04 1.79 1.63 3husC1 LYS 381 HG2 -0.12 0.08 0.12 -0.04 1.46 1.50 3husC1 LYS 381 HG3 -0.19 -0.03 -0.27 -0.04 1.46 0.93 3husC1 LYS 381 HD2 -0.11 -0.04 -0.05 -0.04 1.69 1.46 3husC1 LYS 381 HD3 -0.10 -0.00 -0.03 -0.04 1.68 1.51 3husC1 LYS 381 HE2 -0.09 -0.01 -0.01 -0.04 2.99 2.84 3husC1 LYS 381 HE3 -0.11 0.01 -0.04 -0.04 2.99 2.80 3husC1 THR 382 H -0.11 0.45 0.29 -0.55 8.28 8.36 3husC1 THR 382 HA -0.16 0.32 1.01 -0.75 4.39 4.80 3husC1 THR 382 HB -0.12 -0.03 0.02 -0.04 4.32 4.15 3husC1 THR 382 HG23 -0.12 -0.02 -0.11 -0.04 1.22 0.93 3husC1 THR 383 H -0.21 0.64 0.34 -0.55 8.28 8.50 3husC1 THR 383 HA -0.21 0.29 1.07 -0.75 4.39 4.79 3husC1 THR 383 HB -0.21 -0.10 0.15 -0.04 4.32 4.11 3husC1 THR 383 HG23 -0.15 0.00 -0.05 -0.04 1.22 0.98 3husC1 MET 384 H -0.32 0.67 0.34 -0.55 8.47 8.61 3husC1 MET 384 HA -0.25 0.30 1.11 -0.75 4.52 4.92 3husC1 MET 384 HB2 -0.84 -0.09 0.22 -0.04 2.15 1.40 3husC1 MET 384 HB3 -0.66 0.01 0.04 -0.04 2.03 1.38 3husC1 MET 384 HG2 0.01 0.04 -0.06 -0.04 2.63 2.58 3husC1 MET 384 HG3 -0.05 -0.02 -0.25 -0.04 2.56 2.19 3husC1 MET 384 HE3 0.72 0.00 -0.06 -0.04 2.10 2.72 3husC1 LYS 385 H -0.16 0.58 0.35 -0.55 8.42 8.63 3husC1 LYS 385 HA 0.08 0.23 0.99 -0.75 4.32 4.86 3husC1 LYS 385 HB2 0.31 -0.05 -0.17 -0.04 1.87 1.92 3husC1 LYS 385 HB3 -0.00 0.01 -0.19 -0.04 1.79 1.57 3husC1 LYS 385 HG2 -0.33 0.07 -0.02 -0.04 1.46 1.14 3husC1 LYS 385 HG3 -0.57 -0.03 -0.00 -0.04 1.46 0.82 3husC1 LYS 385 HD2 -0.74 -0.03 -0.11 -0.04 1.69 0.77 3husC1 LYS 385 HD3 -0.31 0.03 -0.11 -0.04 1.68 1.24 3husC1 LYS 385 HE2 -0.58 0.00 -0.09 -0.04 2.99 2.28 3husC1 LYS 385 HE3 -1.47 -0.03 -0.09 -0.04 2.99 1.36 3husC1 ILE 386 H 0.37 0.57 0.31 -0.55 8.25 8.95 3husC1 ILE 386 HA 0.40 0.41 1.13 -0.75 4.18 5.37 3husC1 ILE 386 HB 0.34 -0.00 -0.06 -0.04 1.89 2.13 3husC1 ILE 386 HG12 0.34 0.08 0.10 -0.04 1.49 1.96 3husC1 ILE 386 HG13 0.23 -0.10 0.13 -0.04 1.21 1.43 3husC1 ILE 386 HG23 0.09 -0.01 -0.24 -0.04 0.93 0.73 3husC1 ILE 386 HD13 -0.11 0.01 -0.08 -0.04 0.88 0.65 3husC1 ILE 387 H 0.14 0.43 0.32 -0.55 8.25 8.60 3husC1 ILE 387 HA -0.12 0.14 0.79 -0.75 4.18 4.23 3husC1 ILE 387 HB -1.59 -0.05 -0.24 -0.04 1.89 -0.03 3husC1 ILE 387 HG12 -0.48 0.07 0.08 -0.04 1.49 1.11 3husC1 ILE 387 HG13 -0.48 0.17 0.12 -0.04 1.21 0.98 3husC1 ILE 387 HG23 -0.71 0.07 -0.14 -0.04 0.93 0.11 3husC1 ILE 387 HD13 -1.09 -0.07 -0.18 -0.04 0.88 -0.49 3husC1 PRO 388 HA -0.59 0.31 0.67 -0.51 4.44 4.32 3husC1 PRO 388 HB2 -0.24 -0.05 0.09 -0.04 2.28 2.04 3husC1 PRO 388 HB3 -0.31 0.11 0.11 -0.04 2.02 1.89 3husC1 PRO 388 HG2 -0.22 -0.01 0.10 -0.04 2.03 1.85 3husC1 PRO 388 HG3 -0.50 0.14 0.08 -0.04 2.03 1.72 3husC1 PRO 388 HD2 -0.25 0.09 0.29 -0.04 3.68 3.77 3husC1 PRO 388 HD3 -0.14 0.12 0.15 -0.04 3.65 3.75 3husC1 PHE 389 H -0.01 0.72 0.33 -0.55 8.34 8.83 3husC1 PHE 389 HA -0.10 0.05 0.28 -0.75 4.62 4.10 3husC1 PHE 389 HB2 -0.04 0.03 -0.08 -0.04 3.15 3.02 3husC1 PHE 389 HB3 -0.04 0.05 0.03 -0.04 3.06 3.06 3husC1 PHE 389 HD2 -0.00 0.03 0.02 -0.04 7.28 7.28 3husC1 PHE 389 HE2 0.06 0.02 -0.01 -0.04 7.38 7.41 3husC1 PHE 389 HZ 0.07 0.03 -0.00 -0.04 7.32 7.37 3husC1 ASN 390 H -0.09 0.09 -0.35 -0.55 8.53 7.64 3husC1 ASN 390 HA -0.18 0.14 0.53 -0.75 4.76 4.50 3husC1 ASN 390 HB2 -0.10 0.04 0.08 -0.04 2.88 2.86 3husC1 ASN 390 HB3 -0.08 -0.01 0.04 -0.04 2.79 2.70 3husC1 ASN 390 HD21 -0.09 0.01 -0.08 -0.04 7.03 6.83 3husC1 ASN 390 HD22 -0.08 0.02 -0.05 -0.04 7.74 7.59 3husC1 ARG 391 H -0.15 0.34 -0.37 -0.55 8.46 7.73 3husC1 ARG 391 HA -0.13 0.15 0.49 -0.75 4.34 4.09 3husC1 ARG 391 HB2 -0.22 0.03 0.07 -0.04 1.90 1.73 3husC1 ARG 391 HB3 -0.25 -0.00 -0.05 -0.04 1.80 1.46 3husC1 ARG 391 HG2 -0.28 -0.13 -0.00 -0.04 1.67 1.22 3husC1 ARG 391 HG3 -0.16 0.01 -0.01 -0.04 1.67 1.48 3husC1 ARG 391 HD2 -0.13 0.05 -0.01 -0.04 3.22 3.09 3husC1 ARG 391 HD3 -0.16 -0.05 -0.01 -0.04 3.22 2.95 3husC1 LEU 392 H -0.16 0.18 -0.30 -0.55 8.37 7.54 3husC1 LEU 392 HA -0.06 0.17 0.69 -0.75 4.35 4.40 3husC1 LEU 392 HB2 -0.10 0.04 0.09 -0.04 1.64 1.62 3husC1 LEU 392 HB3 -0.04 -0.00 0.16 -0.04 1.64 1.72 3husC1 LEU 392 HG 0.06 0.04 -0.07 -0.04 1.64 1.64 3husC1 LEU 392 HD13 0.03 -0.03 -0.16 -0.04 0.93 0.74 3husC1 LEU 392 HD23 0.17 -0.01 -0.05 -0.04 0.89 0.96 3husC1 THR 393 H -0.11 0.40 -0.61 -0.55 8.28 7.41 3husC1 THR 393 HA -0.11 0.14 0.80 -0.75 4.39 4.45 3husC1 THR 393 HB -0.11 0.09 -0.08 -0.04 4.32 4.18 3husC1 THR 393 HG23 -0.11 -0.03 0.02 -0.04 1.22 1.07 3husC1 ILE 394 H -0.06 0.14 0.03 -0.55 8.25 7.80 3husC1 ILE 394 HA -0.04 0.03 0.18 -0.75 4.18 3.59 3husC1 ILE 394 HB -0.05 0.19 -0.08 -0.04 1.89 1.91 3husC1 ILE 394 HG12 -0.04 0.01 -0.01 -0.04 1.49 1.41 3husC1 ILE 394 HG13 -0.04 -0.03 0.02 -0.04 1.21 1.12 3husC1 ILE 394 HG23 -0.03 0.00 0.05 -0.04 0.93 0.90 3husC1 ILE 394 HD13 -0.05 -0.02 -0.13 -0.04 0.88 0.63