============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 73 rings ring int. center anis. iso. PHE 5 1.000 56.071 62.829 22.737 -99.200 -91.000 PHE 7 1.000 46.737 61.174 22.108 -99.200 -91.000 HIS 9 0.900 41.966 56.131 16.102 -99.200 -91.000 HIS 11 0.900 49.641 49.332 19.354 -99.200 -91.000 HIS 17 0.900 60.358 54.316 25.683 -99.200 -91.000 HIS 25 0.900 66.876 66.368 27.157 -99.200 -91.000 HIS 29 0.900 62.388 74.071 31.639 -99.200 -91.000 TYR 36 0.840 40.167 62.436 15.242 -99.200 -91.000 TYR 42 0.840 42.275 62.800 26.214 -99.200 -91.000 TYR 85 0.840 49.319 74.282 26.922 -99.200 -91.000 PHE 86 1.000 55.999 77.498 22.303 -99.200 -91.000 TRP 92 1.040 56.919 75.947 28.752 -99.200 -91.000 TRP6 92 1.020 57.949 76.270 30.861 -99.200 -91.000 HIS 96 0.900 62.464 69.737 21.375 -99.200 -91.000 PHE 97 1.000 54.378 70.673 17.130 -99.200 -91.000 TYR 98 0.840 60.822 65.048 19.222 -99.200 -91.000 PHE 105 1.000 61.559 61.043 21.761 -99.200 -91.000 TRP 109 1.040 65.445 60.589 18.542 -99.200 -91.000 TRP6 109 1.020 63.754 60.142 16.973 -99.200 -91.000 PHE 119 1.000 76.303 76.817 15.299 -99.200 -91.000 TYR 121 0.840 71.221 76.427 12.298 -99.200 -91.000 HIS 126 0.900 64.439 66.116 15.657 -99.200 -91.000 TYR 127 0.840 68.726 64.400 7.303 -99.200 -91.000 PHE 128 1.000 63.738 60.463 11.865 -99.200 -91.000 TRP 139 1.040 62.305 60.832 -1.794 -99.200 -91.000 TRP6 139 1.020 64.097 62.122 -2.583 -99.200 -91.000 PHE 146 1.000 57.776 72.101 -0.983 -99.200 -91.000 TRP 150 1.040 57.623 78.238 -5.262 -99.200 -91.000 TRP6 150 1.020 55.958 76.677 -4.673 -99.200 -91.000 HIS 152 0.900 66.174 79.885 -10.208 -99.200 -91.000 TRP 157 1.040 68.153 72.415 -3.062 -99.200 -91.000 TRP6 157 1.020 70.037 71.231 -3.742 -99.200 -91.000 TYR 177 0.840 47.598 79.983 16.773 -99.200 -91.000 TRP 188 1.040 46.774 62.666 6.736 -99.200 -91.000 TRP6 188 1.020 48.182 61.951 8.516 -99.200 -91.000 TYR 194 0.840 53.330 73.495 11.353 -99.200 -91.000 PHE 196 1.000 55.336 77.936 0.101 -99.200 -91.000 TYR 206 0.840 72.005 71.446 12.033 -99.200 -91.000 TYR 209 0.840 71.476 60.448 9.408 -99.200 -91.000 HIS 216 0.900 56.914 55.708 10.657 -99.200 -91.000 TYR 219 0.840 53.055 53.941 5.574 -99.200 -91.000 PHE 233 1.000 48.452 67.636 -6.662 -99.200 -91.000 HIS 241 0.900 48.517 80.201 -9.282 -99.200 -91.000 HIS 250 0.900 68.202 73.530 3.837 -99.200 -91.000 HIS 254 0.900 78.198 63.507 5.303 -99.200 -91.000 HIS 256 0.900 76.081 59.540 11.190 -99.200 -91.000 HIS 261 0.900 67.607 48.674 11.799 -99.200 -91.000 TYR 268 0.840 55.047 49.514 -2.921 -99.200 -91.000 HIS 275 0.900 42.943 42.838 -6.472 -99.200 -91.000 HIS 280 0.900 37.829 50.989 -4.864 -99.200 -91.000 TRP 281 1.040 40.034 51.458 -13.355 -99.200 -91.000 TRP6 281 1.020 40.899 53.363 -14.466 -99.200 -91.000 PHE 292 1.000 45.961 63.615 -16.201 -99.200 -91.000 PHE 309 1.000 54.706 48.261 -13.446 -99.200 -91.000 PHE 311 1.000 51.560 54.719 -17.571 -99.200 -91.000 TRP 317 1.040 55.439 62.257 -10.711 -99.200 -91.000 TRP6 317 1.020 53.225 61.531 -10.283 -99.200 -91.000 TYR 321 0.840 53.367 67.588 -8.817 -99.200 -91.000 HIS 322 0.900 54.294 71.545 -14.761 -99.200 -91.000 HIS 327 0.900 43.055 70.867 -16.403 -99.200 -91.000 PHE 328 1.000 43.320 66.515 -6.621 -99.200 -91.000 TRP 335 1.040 39.482 65.996 -11.050 -99.200 -91.000 TRP6 335 1.020 41.326 65.755 -12.507 -99.200 -91.000 PHE 340 1.000 45.658 54.771 -4.328 -99.200 -91.000 TRP 343 1.040 52.092 58.751 -5.205 -99.200 -91.000 TRP6 343 1.020 51.470 57.275 -3.476 -99.200 -91.000 TYR 350 0.840 61.941 54.828 -6.463 -99.200 -91.000 TYR 359 0.840 69.756 53.245 0.839 -99.200 -91.000 TYR 361 0.840 70.387 53.295 -10.605 -99.200 -91.000 TYR 365 0.840 65.165 57.988 -10.682 -99.200 -91.000 TYR 367 0.840 69.254 63.177 -2.351 -99.200 -91.000 TYR 373 0.840 60.726 65.716 -11.820 -99.200 -91.000 TYR 375 0.840 69.233 72.804 -16.991 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bo8C1 SER 2 HA 0.12 -0.15 0.34 -0.75 4.49 4.05 2bo8C1 SER 2 HB2 -0.02 -0.04 -0.11 -0.04 3.95 3.75 2bo8C1 SER 2 HB3 0.14 0.01 -0.10 -0.04 3.93 3.94 2bo8C1 LEU 3 H 0.02 0.57 0.37 -0.55 8.37 8.79 2bo8C1 LEU 3 HA -0.16 0.28 0.98 -0.75 4.35 4.70 2bo8C1 LEU 3 HB2 0.40 -0.01 0.03 -0.04 1.64 2.01 2bo8C1 LEU 3 HB3 -0.04 -0.04 0.17 -0.04 1.64 1.70 2bo8C1 LEU 3 HG -0.08 -0.04 -0.37 -0.04 1.64 1.11 2bo8C1 LEU 3 HD13 0.21 0.04 -0.20 -0.04 0.93 0.94 2bo8C1 LEU 3 HD23 0.29 -0.01 -0.13 -0.04 0.89 0.99 2bo8C1 VAL 4 H -0.11 0.77 0.41 -0.55 8.24 8.76 2bo8C1 VAL 4 HA -0.17 0.16 1.12 -0.75 4.13 4.49 2bo8C1 VAL 4 HB -0.12 0.03 0.10 -0.04 2.12 2.09 2bo8C1 VAL 4 HG13 -0.32 -0.04 -0.23 -0.04 0.97 0.34 2bo8C1 VAL 4 HG23 -0.26 0.00 -0.17 -0.04 0.95 0.48 2bo8C1 VAL 5 H -0.40 0.56 0.29 -0.55 8.24 8.13 2bo8C1 VAL 5 HA -0.15 0.33 1.05 -0.75 4.13 4.61 2bo8C1 VAL 5 HB -0.75 0.01 0.20 -0.04 2.12 1.54 2bo8C1 VAL 5 HG13 0.03 -0.03 -0.21 -0.04 0.97 0.71 2bo8C1 VAL 5 HG23 -0.39 0.00 -0.19 -0.04 0.95 0.34 2bo8C1 PHE 6 H 0.16 0.59 0.35 -0.55 8.34 8.88 2bo8C1 PHE 6 HA 0.10 0.41 1.01 -0.75 4.62 5.39 2bo8C1 PHE 6 HB2 0.03 -0.06 0.17 -0.04 3.15 3.25 2bo8C1 PHE 6 HB3 0.04 -0.09 -0.02 -0.04 3.06 2.94 2bo8C1 PHE 6 HD2 -0.08 0.07 -0.20 -0.04 7.28 7.03 2bo8C1 PHE 6 HE2 -0.49 0.00 -0.18 -0.04 7.38 6.68 2bo8C1 PHE 6 HZ -0.50 0.04 -0.25 -0.04 7.32 6.56 2bo8C1 PRO 7 HA 0.14 0.25 0.94 -0.51 4.44 5.26 2bo8C1 PRO 7 HB2 0.08 -0.06 -0.03 -0.04 2.28 2.23 2bo8C1 PRO 7 HB3 0.14 0.08 0.00 -0.04 2.02 2.20 2bo8C1 PRO 7 HG2 0.17 -0.13 0.12 -0.04 2.03 2.15 2bo8C1 PRO 7 HG3 0.19 0.08 0.01 -0.04 2.03 2.27 2bo8C1 PRO 7 HD2 0.24 0.27 0.19 -0.04 3.68 4.33 2bo8C1 PRO 7 HD3 0.28 0.21 -0.07 -0.04 3.65 4.03 2bo8C1 PHE 8 H -0.16 0.79 0.30 -0.55 8.34 8.72 2bo8C1 PHE 8 HA 0.05 0.07 0.96 -0.75 4.62 4.95 2bo8C1 PHE 8 HB2 0.02 -0.11 -0.12 -0.04 3.15 2.90 2bo8C1 PHE 8 HB3 0.04 0.07 -0.28 -0.04 3.06 2.84 2bo8C1 PHE 8 HD2 0.05 0.10 -0.22 -0.04 7.28 7.17 2bo8C1 PHE 8 HE2 0.06 -0.02 -0.17 -0.04 7.38 7.20 2bo8C1 PHE 8 HZ -0.03 0.04 -0.09 -0.04 7.32 7.19 2bo8C1 LYS 9 H 0.09 0.10 0.03 -0.55 8.42 8.10 2bo8C1 LYS 9 HA -0.17 0.13 1.04 -0.75 4.32 4.57 2bo8C1 LYS 9 HB2 -0.23 0.05 0.05 -0.04 1.87 1.70 2bo8C1 LYS 9 HB3 -0.14 -0.08 0.22 -0.04 1.79 1.75 2bo8C1 LYS 9 HG2 -1.01 0.01 -0.06 -0.04 1.46 0.35 2bo8C1 LYS 9 HG3 -0.79 0.00 0.07 -0.04 1.46 0.69 2bo8C1 LYS 9 HD2 -0.59 0.01 0.02 -0.04 1.69 1.08 2bo8C1 LYS 9 HD3 -0.27 -0.02 0.04 -0.04 1.68 1.39 2bo8C1 LYS 9 HE2 -0.38 -0.01 -0.00 -0.04 2.99 2.55 2bo8C1 LYS 9 HE3 -1.61 0.03 -0.00 -0.04 2.99 1.37 2bo8C1 HIS 10 H -0.01 0.21 0.14 -0.55 8.41 8.19 2bo8C1 HIS 10 HA 0.10 0.16 1.01 -0.75 4.63 5.14 2bo8C1 HIS 10 HB2 0.01 0.01 0.21 -0.04 3.26 3.44 2bo8C1 HIS 10 HB3 -0.00 0.04 0.07 -0.04 3.20 3.26 2bo8C1 HIS 10 HD2 0.07 -0.02 0.04 -0.04 6.97 7.02 2bo8C1 HIS 10 HE1 -0.08 0.05 -0.03 -0.04 7.75 7.65 2bo8C1 GLU 11 H 0.11 0.21 0.07 -0.55 8.60 8.44 2bo8C1 GLU 11 HA -0.08 0.22 0.73 -0.75 4.29 4.41 2bo8C1 GLU 11 HB2 0.07 -0.08 -0.22 -0.04 2.09 1.82 2bo8C1 GLU 11 HB3 -0.01 0.12 -0.16 -0.04 1.99 1.89 2bo8C1 GLU 11 HG2 0.05 0.06 -0.12 -0.04 2.34 2.29 2bo8C1 GLU 11 HG3 0.03 0.01 0.18 -0.04 2.34 2.52 2bo8C1 HIS 12 H -0.07 0.18 0.13 -0.55 8.41 8.10 2bo8C1 HIS 12 HA -0.00 0.18 0.64 -0.75 4.63 4.69 2bo8C1 HIS 12 HB2 -0.02 -0.02 0.18 -0.04 3.26 3.36 2bo8C1 HIS 12 HB3 -0.02 -0.00 0.08 -0.04 3.20 3.21 2bo8C1 HIS 12 HD2 -0.00 0.03 0.02 -0.04 6.97 6.98 2bo8C1 HIS 12 HE1 0.01 0.03 0.02 -0.04 7.75 7.76 2bo8C1 PRO 13 HA -0.10 0.07 0.35 -0.51 4.44 4.24 2bo8C1 PRO 13 HB2 -0.02 0.07 0.04 -0.04 2.28 2.33 2bo8C1 PRO 13 HB3 -0.05 0.07 0.08 -0.04 2.02 2.08 2bo8C1 PRO 13 HG2 0.01 0.10 0.07 -0.04 2.03 2.16 2bo8C1 PRO 13 HG3 -0.01 -0.00 0.04 -0.04 2.03 2.02 2bo8C1 PRO 13 HD2 0.08 0.11 0.24 -0.04 3.68 4.06 2bo8C1 PRO 13 HD3 0.02 0.26 0.36 -0.04 3.65 4.25 2bo8C1 GLU 14 H 0.01 0.11 -0.22 -0.55 8.60 7.95 2bo8C1 GLU 14 HA -0.04 0.11 0.26 -0.75 4.29 3.87 2bo8C1 GLU 14 HB2 -0.04 0.05 -0.06 -0.04 2.09 2.00 2bo8C1 GLU 14 HB3 -0.04 0.08 0.05 -0.04 1.99 2.04 2bo8C1 GLU 14 HG2 -0.04 0.08 0.01 -0.04 2.34 2.35 2bo8C1 GLU 14 HG3 -0.02 -0.01 0.02 -0.04 2.34 2.30 2bo8C1 VAL 15 H 0.01 0.10 -0.29 -0.55 8.24 7.51 2bo8C1 VAL 15 HA -0.02 0.10 0.36 -0.75 4.13 3.82 2bo8C1 VAL 15 HB 0.02 0.03 0.13 -0.04 2.12 2.26 2bo8C1 VAL 15 HG13 -0.01 0.04 -0.15 -0.04 0.97 0.82 2bo8C1 VAL 15 HG23 0.04 -0.04 0.04 -0.04 0.95 0.95 2bo8C1 LEU 16 H -0.10 0.27 -0.11 -0.55 8.37 7.89 2bo8C1 LEU 16 HA -0.31 0.18 0.50 -0.75 4.35 3.96 2bo8C1 LEU 16 HB2 -0.20 -0.04 -0.01 -0.04 1.64 1.35 2bo8C1 LEU 16 HB3 -0.23 0.01 0.04 -0.04 1.64 1.41 2bo8C1 LEU 16 HG -0.36 0.04 -0.31 -0.04 1.64 0.97 2bo8C1 LEU 16 HD13 -0.40 -0.01 -0.02 -0.04 0.93 0.46 2bo8C1 LEU 16 HD23 -0.57 -0.02 -0.14 -0.04 0.89 0.12 2bo8C1 LEU 17 H -0.14 0.68 -0.03 -0.55 8.37 8.33 2bo8C1 LEU 17 HA -0.19 0.01 0.35 -0.75 4.35 3.78 2bo8C1 LEU 17 HB2 -0.07 0.03 0.05 -0.04 1.64 1.61 2bo8C1 LEU 17 HB3 -0.08 0.01 -0.04 -0.04 1.64 1.49 2bo8C1 LEU 17 HG -0.13 0.04 0.00 -0.04 1.64 1.52 2bo8C1 LEU 17 HD13 -0.07 -0.01 -0.15 -0.04 0.93 0.67 2bo8C1 LEU 17 HD23 -0.13 -0.01 -0.07 -0.04 0.89 0.63 2bo8C1 HIS 18 H -0.03 0.35 -0.54 -0.55 8.41 7.64 2bo8C1 HIS 18 HA -0.09 0.03 0.35 -0.75 4.63 4.17 2bo8C1 HIS 18 HB2 -0.08 0.02 0.11 -0.04 3.26 3.27 2bo8C1 HIS 18 HB3 -0.11 0.17 0.18 -0.04 3.20 3.39 2bo8C1 HIS 18 HD2 -0.05 -0.02 -0.00 -0.04 6.97 6.86 2bo8C1 HIS 18 HE1 -0.05 0.09 -0.07 -0.04 7.75 7.67 2bo8C1 ASN 19 H -0.23 0.43 -0.04 -0.55 8.53 8.15 2bo8C1 ASN 19 HA -0.25 -0.01 0.40 -0.75 4.76 4.15 2bo8C1 ASN 19 HB2 -0.79 0.09 0.19 -0.04 2.88 2.33 2bo8C1 ASN 19 HB3 -0.99 -0.05 -0.03 -0.04 2.79 1.67 2bo8C1 ASN 19 HD21 -0.19 0.29 0.06 -0.04 7.03 7.14 2bo8C1 ASN 19 HD22 -0.37 -0.04 0.06 -0.04 7.74 7.35 2bo8C1 VAL 20 H -0.49 0.60 -0.20 -0.55 8.24 7.60 2bo8C1 VAL 20 HA -0.08 -0.01 0.27 -0.75 4.13 3.56 2bo8C1 VAL 20 HB -0.20 0.09 0.06 -0.04 2.12 2.03 2bo8C1 VAL 20 HG13 -0.05 0.00 -0.21 -0.04 0.97 0.66 2bo8C1 VAL 20 HG23 -0.31 0.01 -0.09 -0.04 0.95 0.52 2bo8C1 ARG 21 H -0.16 0.51 -0.28 -0.55 8.46 7.98 2bo8C1 ARG 21 HA -0.05 0.01 0.32 -0.75 4.34 3.87 2bo8C1 ARG 21 HB2 -0.09 0.20 0.19 -0.04 1.90 2.16 2bo8C1 ARG 21 HB3 -0.11 0.05 0.04 -0.04 1.80 1.73 2bo8C1 ARG 21 HG2 -0.02 -0.04 -0.04 -0.04 1.67 1.53 2bo8C1 ARG 21 HG3 -0.04 0.01 0.02 -0.04 1.67 1.63 2bo8C1 ARG 21 HD2 -0.02 -0.03 -0.03 -0.04 3.22 3.10 2bo8C1 ARG 21 HD3 -0.04 -0.03 -0.03 -0.04 3.22 3.09 2bo8C1 VAL 22 H -0.18 0.43 -0.26 -0.55 8.24 7.68 2bo8C1 VAL 22 HA -0.09 0.01 0.33 -0.75 4.13 3.63 2bo8C1 VAL 22 HB 0.06 0.10 0.08 -0.04 2.12 2.32 2bo8C1 VAL 22 HG13 -0.26 -0.04 -0.29 -0.04 0.97 0.34 2bo8C1 VAL 22 HG23 -0.39 0.06 -0.08 -0.04 0.95 0.51 2bo8C1 ALA 23 H 0.15 0.59 -0.07 -0.55 8.40 8.52 2bo8C1 ALA 23 HA 0.07 -0.07 0.29 -0.75 4.34 3.88 2bo8C1 ALA 23 HB3 0.18 -0.00 -0.01 -0.04 1.41 1.54 2bo8C1 ALA 24 H 0.02 0.61 -0.18 -0.55 8.40 8.30 2bo8C1 ALA 24 HA -0.01 0.03 0.15 -0.75 4.34 3.76 2bo8C1 ALA 24 HB3 -0.00 -0.01 -0.04 -0.04 1.41 1.31 2bo8C1 ALA 25 H -0.01 0.34 -0.45 -0.55 8.40 7.73 2bo8C1 ALA 25 HA -0.02 0.06 0.39 -0.75 4.34 4.01 2bo8C1 ALA 25 HB3 -0.03 -0.02 0.10 -0.04 1.41 1.41 2bo8C1 HIS 26 H 0.06 0.42 -0.34 -0.55 8.41 8.02 2bo8C1 HIS 26 HA -0.06 -0.03 0.31 -0.75 4.63 4.10 2bo8C1 HIS 26 HB2 -0.08 0.03 0.12 -0.04 3.26 3.29 2bo8C1 HIS 26 HB3 -0.09 0.03 0.10 -0.04 3.20 3.19 2bo8C1 HIS 26 HD2 -0.09 -0.11 0.04 -0.04 6.97 6.77 2bo8C1 HIS 26 HE1 -0.00 0.04 -0.09 -0.04 7.75 7.65 2bo8C1 PRO 27 HA -0.04 0.19 0.30 -0.51 4.44 4.38 2bo8C1 PRO 27 HB2 -0.03 -0.03 -0.04 -0.04 2.28 2.14 2bo8C1 PRO 27 HB3 -0.04 0.02 0.12 -0.04 2.02 2.08 2bo8C1 PRO 27 HG2 -0.18 -0.05 0.08 -0.04 2.03 1.83 2bo8C1 PRO 27 HG3 -0.14 0.08 0.13 -0.04 2.03 2.06 2bo8C1 PRO 27 HD2 -1.10 -0.03 0.16 -0.04 3.68 2.67 2bo8C1 PRO 27 HD3 -0.42 0.15 0.24 -0.04 3.65 3.58 2bo8C1 ARG 28 H 0.59 -0.04 -0.47 -0.55 8.46 7.98 2bo8C1 ARG 28 HA -0.12 0.24 0.82 -0.75 4.34 4.53 2bo8C1 ARG 28 HB2 0.07 -0.09 -0.07 -0.04 1.90 1.76 2bo8C1 ARG 28 HB3 -0.01 0.02 0.05 -0.04 1.80 1.82 2bo8C1 ARG 28 HG2 0.05 0.08 -0.08 -0.04 1.67 1.68 2bo8C1 ARG 28 HG3 0.13 -0.08 -0.20 -0.04 1.67 1.47 2bo8C1 ARG 28 HD2 0.12 -0.04 -0.08 -0.04 3.22 3.18 2bo8C1 ARG 28 HD3 0.11 -0.04 -0.09 -0.04 3.22 3.16 2bo8C1 VAL 29 H -0.08 0.46 -0.20 -0.55 8.24 7.88 2bo8C1 VAL 29 HA -0.30 0.15 0.77 -0.75 4.13 4.00 2bo8C1 VAL 29 HB -0.09 0.28 0.07 -0.04 2.12 2.35 2bo8C1 VAL 29 HG13 -0.14 -0.05 -0.26 -0.04 0.97 0.48 2bo8C1 VAL 29 HG23 -0.20 -0.09 -0.12 -0.04 0.95 0.49 2bo8C1 HIS 30 H -0.50 0.65 0.32 -0.55 8.41 8.34 2bo8C1 HIS 30 HA -0.29 0.24 0.96 -0.75 4.63 4.79 2bo8C1 HIS 30 HB2 -1.82 0.01 0.05 -0.04 3.26 1.46 2bo8C1 HIS 30 HB3 -1.26 -0.10 0.11 -0.04 3.20 1.90 2bo8C1 HIS 30 HD2 -0.21 0.05 0.03 -0.04 6.97 6.80 2bo8C1 HIS 30 HE1 0.00 -0.04 -0.04 -0.04 7.75 7.63 2bo8C1 GLU 31 H -0.33 0.33 0.20 -0.55 8.60 8.26 2bo8C1 GLU 31 HA -0.01 0.25 0.46 -0.75 4.29 4.25 2bo8C1 GLU 31 HB2 0.20 0.10 -0.15 -0.04 2.09 2.19 2bo8C1 GLU 31 HB3 0.11 -0.14 -0.03 -0.04 1.99 1.89 2bo8C1 GLU 31 HG2 0.16 0.01 -0.17 -0.04 2.34 2.31 2bo8C1 GLU 31 HG3 0.21 0.08 0.06 -0.04 2.34 2.64 2bo8C1 VAL 32 H 0.03 0.74 0.26 -0.55 8.24 8.73 2bo8C1 VAL 32 HA -0.00 0.26 1.07 -0.75 4.13 4.71 2bo8C1 VAL 32 HB 0.04 -0.03 0.10 -0.04 2.12 2.19 2bo8C1 VAL 32 HG13 0.18 -0.03 -0.12 -0.04 0.97 0.96 2bo8C1 VAL 32 HG23 0.02 0.02 -0.20 -0.04 0.95 0.75 2bo8C1 LEU 33 H 0.01 0.73 0.37 -0.55 8.37 8.93 2bo8C1 LEU 33 HA -0.02 0.26 1.08 -0.75 4.35 4.93 2bo8C1 LEU 33 HB2 -0.05 0.05 -0.20 -0.04 1.64 1.39 2bo8C1 LEU 33 HB3 -0.04 -0.04 -0.00 -0.04 1.64 1.51 2bo8C1 LEU 33 HG -0.07 -0.09 -0.48 -0.04 1.64 0.96 2bo8C1 LEU 33 HD13 -0.33 0.04 -0.16 -0.04 0.93 0.44 2bo8C1 LEU 33 HD23 -0.18 -0.01 -0.18 -0.04 0.89 0.48 2bo8C1 CYS 34 H 0.03 0.76 0.39 -0.55 8.50 9.12 2bo8C1 CYS 34 HA 0.23 0.18 1.17 -0.75 4.58 5.41 2bo8C1 CYS 34 HB2 0.09 -0.03 0.17 -0.04 2.97 3.16 2bo8C1 CYS 34 HB3 0.38 -0.06 0.01 -0.04 2.97 3.26 2bo8C1 ILE 35 H 0.18 0.44 0.15 -0.55 8.25 8.47 2bo8C1 ILE 35 HA 0.00 0.35 1.07 -0.75 4.18 4.85 2bo8C1 ILE 35 HB 0.06 -0.11 0.07 -0.04 1.89 1.87 2bo8C1 ILE 35 HG12 0.03 -0.06 -0.36 -0.04 1.49 1.06 2bo8C1 ILE 35 HG13 0.07 0.05 -0.11 -0.04 1.21 1.18 2bo8C1 ILE 35 HG23 -0.02 0.06 -0.13 -0.04 0.93 0.80 2bo8C1 ILE 35 HD13 -0.01 0.04 -0.21 -0.04 0.88 0.66 2bo8C1 GLY 36 H -0.11 0.73 0.31 -0.55 8.43 8.81 2bo8C1 GLY 36 HA2 -1.60 0.19 0.75 -0.51 4.01 2.84 2bo8C1 GLY 36 HA3 -0.55 -0.03 0.29 -0.51 4.01 3.21 2bo8C1 TYR 37 H -0.29 0.35 0.42 -0.55 8.29 8.22 2bo8C1 TYR 37 HA -0.18 0.11 0.69 -0.75 4.56 4.43 2bo8C1 TYR 37 HB2 -0.24 -0.01 0.21 -0.04 3.06 2.98 2bo8C1 TYR 37 HB3 -0.24 -0.08 0.30 -0.04 2.98 2.92 2bo8C1 TYR 37 HD2 -0.14 -0.03 -0.09 -0.04 7.15 6.84 2bo8C1 TYR 37 HE2 -0.07 0.15 -0.01 -0.04 6.85 6.88 2bo8C1 GLU 38 H 0.06 0.12 0.18 -0.55 8.60 8.42 2bo8C1 GLU 38 HA -0.18 0.27 0.65 -0.75 4.29 4.28 2bo8C1 GLU 38 HB2 -0.05 0.02 0.10 -0.04 2.09 2.11 2bo8C1 GLU 38 HB3 -0.05 0.07 -0.20 -0.04 1.99 1.78 2bo8C1 GLU 38 HG2 0.19 -0.12 -0.10 -0.04 2.34 2.28 2bo8C1 GLU 38 HG3 0.10 0.03 -0.37 -0.04 2.34 2.06 2bo8C1 ARG 39 H -0.15 0.23 0.07 -0.55 8.46 8.06 2bo8C1 ARG 39 HA -0.41 0.08 0.59 -0.75 4.34 3.84 2bo8C1 ARG 39 HB2 -0.31 0.02 0.13 -0.04 1.90 1.71 2bo8C1 ARG 39 HB3 -0.13 0.02 0.24 -0.04 1.80 1.89 2bo8C1 ARG 39 HG2 -0.13 0.01 -0.00 -0.04 1.67 1.51 2bo8C1 ARG 39 HG3 -0.81 -0.01 -0.02 -0.04 1.67 0.79 2bo8C1 ARG 39 HD2 -0.26 0.00 0.01 -0.04 3.22 2.94 2bo8C1 ARG 39 HD3 -0.11 0.01 0.02 -0.04 3.22 3.09 2bo8C1 ASP 40 H 0.20 0.30 0.11 -0.55 8.40 8.47 2bo8C1 ASP 40 HA 0.09 0.30 0.81 -0.75 4.63 5.08 2bo8C1 ASP 40 HB2 0.16 -0.08 0.21 -0.04 2.71 2.95 2bo8C1 ASP 40 HB3 0.20 0.07 -0.03 -0.04 2.70 2.90 2bo8C1 GLN 41 H 0.10 0.18 0.15 -0.55 8.47 8.35 2bo8C1 GLN 41 HA 0.07 0.14 0.51 -0.75 4.36 4.32 2bo8C1 GLN 41 HB2 0.06 -0.11 0.19 -0.04 2.15 2.25 2bo8C1 GLN 41 HB3 0.04 0.06 0.06 -0.04 2.02 2.14 2bo8C1 GLN 41 HG2 0.05 -0.03 0.15 -0.04 2.40 2.53 2bo8C1 GLN 41 HG3 0.03 0.04 0.08 -0.04 2.39 2.50 2bo8C1 GLN 41 HE21 0.02 0.05 0.03 -0.04 6.97 7.02 2bo8C1 GLN 41 HE22 0.02 0.00 0.04 -0.04 7.69 7.71 2bo8C1 THR 42 H 0.11 0.12 0.00 -0.55 8.28 7.96 2bo8C1 THR 42 HA -0.04 0.06 0.36 -0.75 4.39 4.01 2bo8C1 THR 42 HB 0.09 0.03 0.01 -0.04 4.32 4.41 2bo8C1 THR 42 HG23 -0.34 -0.00 -0.15 -0.04 1.22 0.69 2bo8C1 TYR 43 H 0.34 0.03 -0.25 -0.55 8.29 7.86 2bo8C1 TYR 43 HA 0.15 0.04 0.30 -0.75 4.56 4.30 2bo8C1 TYR 43 HB2 0.28 -0.01 0.21 -0.04 3.06 3.50 2bo8C1 TYR 43 HB3 0.12 0.15 0.06 -0.04 2.98 3.28 2bo8C1 TYR 43 HD2 0.14 0.01 -0.25 -0.04 7.15 7.01 2bo8C1 TYR 43 HE2 0.04 0.04 -0.35 -0.04 6.85 6.53 2bo8C1 GLU 44 H 0.20 0.48 -0.20 -0.55 8.60 8.54 2bo8C1 GLU 44 HA 0.17 0.03 0.32 -0.75 4.29 4.05 2bo8C1 GLU 44 HB2 0.11 0.14 0.14 -0.04 2.09 2.44 2bo8C1 GLU 44 HB3 0.06 0.00 0.03 -0.04 1.99 2.04 2bo8C1 GLU 44 HG2 0.05 -0.02 -0.01 -0.04 2.34 2.32 2bo8C1 GLU 44 HG3 0.08 -0.01 0.04 -0.04 2.34 2.41 2bo8C1 ALA 45 H 0.02 0.52 -0.10 -0.55 8.40 8.29 2bo8C1 ALA 45 HA -0.02 0.02 0.42 -0.75 4.34 4.02 2bo8C1 ALA 45 HB3 -0.05 0.01 0.13 -0.04 1.41 1.46 2bo8C1 VAL 46 H -0.14 0.56 -0.02 -0.55 8.24 8.10 2bo8C1 VAL 46 HA -0.13 0.00 0.33 -0.75 4.13 3.57 2bo8C1 VAL 46 HB -0.27 0.10 0.07 -0.04 2.12 1.97 2bo8C1 VAL 46 HG13 -0.16 -0.00 -0.17 -0.04 0.97 0.59 2bo8C1 VAL 46 HG23 -0.38 0.04 -0.03 -0.04 0.95 0.54 2bo8C1 GLU 47 H -0.11 0.54 -0.16 -0.55 8.60 8.33 2bo8C1 GLU 47 HA -0.07 0.00 0.37 -0.75 4.29 3.84 2bo8C1 GLU 47 HB2 -0.07 0.03 0.10 -0.04 2.09 2.11 2bo8C1 GLU 47 HB3 0.04 0.06 0.08 -0.04 1.99 2.13 2bo8C1 GLU 47 HG2 0.03 0.02 -0.07 -0.04 2.34 2.29 2bo8C1 GLU 47 HG3 0.00 -0.02 0.08 -0.04 2.34 2.37 2bo8C1 ARG 48 H -0.01 0.50 -0.15 -0.55 8.46 8.25 2bo8C1 ARG 48 HA 0.00 0.03 0.50 -0.75 4.34 4.11 2bo8C1 ARG 48 HB2 -0.00 0.17 0.22 -0.04 1.90 2.24 2bo8C1 ARG 48 HB3 -0.01 -0.03 -0.01 -0.04 1.80 1.71 2bo8C1 ARG 48 HG2 0.01 -0.02 0.06 -0.04 1.67 1.68 2bo8C1 ARG 48 HG3 0.01 -0.02 0.04 -0.04 1.67 1.67 2bo8C1 ARG 48 HD2 0.00 -0.02 -0.01 -0.04 3.22 3.15 2bo8C1 ARG 48 HD3 0.01 -0.04 -0.00 -0.04 3.22 3.15 2bo8C1 ALA 49 H -0.04 0.49 -0.08 -0.55 8.40 8.22 2bo8C1 ALA 49 HA -0.02 0.00 0.41 -0.75 4.34 3.97 2bo8C1 ALA 49 HB3 -0.05 -0.02 0.07 -0.04 1.41 1.37 2bo8C1 ALA 50 H -0.04 0.60 -0.14 -0.55 8.40 8.28 2bo8C1 ALA 50 HA -0.03 -0.09 0.20 -0.75 4.34 3.67 2bo8C1 ALA 50 HB3 -0.03 0.07 0.01 -0.04 1.41 1.42 2bo8C1 PRO 51 HA 0.01 0.03 0.28 -0.51 4.44 4.25 2bo8C1 PRO 51 HB2 0.00 0.01 0.03 -0.04 2.28 2.28 2bo8C1 PRO 51 HB3 0.01 -0.00 0.09 -0.04 2.02 2.08 2bo8C1 PRO 51 HG2 0.01 0.03 0.10 -0.04 2.03 2.12 2bo8C1 PRO 51 HG3 0.01 0.00 0.11 -0.04 2.03 2.11 2bo8C1 PRO 51 HD2 -0.01 0.35 -0.33 -0.04 3.68 3.66 2bo8C1 PRO 51 HD3 -0.01 0.27 0.09 -0.04 3.65 3.96 2bo8C1 GLU 52 H -0.01 0.27 -0.21 -0.55 8.60 8.11 2bo8C1 GLU 52 HA -0.00 0.01 0.51 -0.75 4.29 4.05 2bo8C1 GLU 52 HB2 -0.01 0.01 0.15 -0.04 2.09 2.20 2bo8C1 GLU 52 HB3 -0.01 0.12 0.19 -0.04 1.99 2.25 2bo8C1 GLU 52 HG2 -0.00 -0.03 0.05 -0.04 2.34 2.32 2bo8C1 GLU 52 HG3 -0.01 -0.04 0.02 -0.04 2.34 2.27 2bo8C1 ILE 53 H -0.01 0.49 0.00 -0.55 8.25 8.18 2bo8C1 ILE 53 HA -0.01 -0.03 0.29 -0.75 4.18 3.67 2bo8C1 ILE 53 HB -0.02 0.07 0.05 -0.04 1.89 1.94 2bo8C1 ILE 53 HG12 -0.03 -0.03 -0.02 -0.04 1.49 1.37 2bo8C1 ILE 53 HG13 -0.03 0.05 0.00 -0.04 1.21 1.19 2bo8C1 ILE 53 HG23 -0.02 0.01 -0.24 -0.04 0.93 0.64 2bo8C1 ILE 53 HD13 -0.06 -0.03 -0.14 -0.04 0.88 0.61 2bo8C1 SER 54 H 0.00 0.56 -0.09 -0.55 8.46 8.38 2bo8C1 SER 54 HA 0.01 0.22 0.43 -0.75 4.49 4.39 2bo8C1 SER 54 HB2 0.03 -0.02 -0.17 -0.04 3.95 3.75 2bo8C1 SER 54 HB3 0.03 0.02 0.14 -0.04 3.93 4.07 2bo8C1 ARG 55 H 0.01 0.48 -0.19 -0.55 8.46 8.21 2bo8C1 ARG 55 HA 0.02 0.02 0.53 -0.75 4.34 4.15 2bo8C1 ARG 55 HB2 0.01 0.07 0.19 -0.04 1.90 2.13 2bo8C1 ARG 55 HB3 0.01 0.07 0.20 -0.04 1.80 2.04 2bo8C1 ARG 55 HG2 0.01 -0.00 -0.01 -0.04 1.67 1.63 2bo8C1 ARG 55 HG3 0.01 -0.04 0.05 -0.04 1.67 1.65 2bo8C1 ARG 55 HD2 0.01 -0.05 -0.02 -0.04 3.22 3.12 2bo8C1 ARG 55 HD3 0.01 -0.05 0.00 -0.04 3.22 3.14 2bo8C1 ALA 56 H 0.00 0.54 -0.04 -0.55 8.40 8.35 2bo8C1 ALA 56 HA 0.00 -0.03 0.36 -0.75 4.34 3.92 2bo8C1 ALA 56 HB3 -0.01 -0.02 0.06 -0.04 1.41 1.41 2bo8C1 THR 57 H 0.00 0.33 -0.30 -0.55 8.28 7.77 2bo8C1 THR 57 HA -0.00 0.12 0.60 -0.75 4.39 4.35 2bo8C1 THR 57 HB -0.01 0.18 -0.12 -0.04 4.32 4.34 2bo8C1 THR 57 HG23 -0.01 -0.03 -0.15 -0.04 1.22 1.00 2bo8C1 GLY 58 H 0.01 0.32 -0.18 -0.55 8.43 8.04 2bo8C1 GLY 58 HA2 0.03 -0.03 0.34 -0.51 4.01 3.84 2bo8C1 GLY 58 HA3 0.02 0.02 0.50 -0.51 4.01 4.04 2bo8C1 THR 59 H 0.01 0.05 -0.39 -0.55 8.28 7.41 2bo8C1 THR 59 HA 0.05 0.26 1.01 -0.75 4.39 4.95 2bo8C1 THR 59 HB -0.02 -0.01 -0.17 -0.04 4.32 4.08 2bo8C1 THR 59 HG23 0.00 0.12 -0.10 -0.04 1.22 1.20 2bo8C1 PRO 60 HA 0.05 -0.04 0.40 -0.51 4.44 4.34 2bo8C1 PRO 60 HB2 0.13 -0.02 -0.03 -0.04 2.28 2.32 2bo8C1 PRO 60 HB3 0.11 -0.01 0.08 -0.04 2.02 2.15 2bo8C1 PRO 60 HG2 0.18 0.04 0.25 -0.04 2.03 2.46 2bo8C1 PRO 60 HG3 0.20 -0.00 0.13 -0.04 2.03 2.31 2bo8C1 PRO 60 HD2 0.08 0.38 0.29 -0.04 3.68 4.39 2bo8C1 PRO 60 HD3 0.10 0.13 0.14 -0.04 3.65 3.98 2bo8C1 VAL 61 H 0.03 0.15 0.21 -0.55 8.24 8.08 2bo8C1 VAL 61 HA 0.03 0.30 1.04 -0.75 4.13 4.74 2bo8C1 VAL 61 HB -0.00 -0.05 0.10 -0.04 2.12 2.13 2bo8C1 VAL 61 HG13 -0.01 -0.03 -0.15 -0.04 0.97 0.74 2bo8C1 VAL 61 HG23 0.01 0.05 -0.17 -0.04 0.95 0.80 2bo8C1 SER 62 H 0.00 0.56 0.32 -0.55 8.46 8.81 2bo8C1 SER 62 HA -0.02 0.11 0.80 -0.75 4.49 4.64 2bo8C1 SER 62 HB2 -0.03 0.02 0.01 -0.04 3.95 3.92 2bo8C1 SER 62 HB3 0.02 0.06 -0.12 -0.04 3.93 3.86 2bo8C1 VAL 63 H -0.06 0.22 0.20 -0.55 8.24 8.05 2bo8C1 VAL 63 HA -0.04 0.25 1.08 -0.75 4.13 4.67 2bo8C1 VAL 63 HB -0.46 -0.01 -0.04 -0.04 2.12 1.56 2bo8C1 VAL 63 HG13 -0.31 -0.02 0.00 -0.04 0.97 0.60 2bo8C1 VAL 63 HG23 -0.19 0.01 -0.17 -0.04 0.95 0.55 2bo8C1 ARG 64 H 0.03 0.62 0.36 -0.55 8.46 8.92 2bo8C1 ARG 64 HA 0.17 0.08 0.67 -0.75 4.34 4.51 2bo8C1 ARG 64 HB2 -0.01 -0.03 -0.07 -0.04 1.90 1.74 2bo8C1 ARG 64 HB3 0.03 0.12 0.02 -0.04 1.80 1.92 2bo8C1 ARG 64 HG2 -0.00 0.03 -0.04 -0.04 1.67 1.62 2bo8C1 ARG 64 HG3 -0.08 -0.08 -0.64 -0.04 1.67 0.83 2bo8C1 ARG 64 HD2 -0.41 0.01 -0.17 -0.04 3.22 2.62 2bo8C1 ARG 64 HD3 -0.16 -0.02 -0.17 -0.04 3.22 2.83 2bo8C1 LEU 65 H 0.14 0.11 0.08 -0.55 8.37 8.16 2bo8C1 LEU 65 HA 0.03 0.08 0.70 -0.75 4.35 4.40 2bo8C1 LEU 65 HB2 -0.03 -0.02 0.06 -0.04 1.64 1.61 2bo8C1 LEU 65 HB3 -0.09 0.22 -0.00 -0.04 1.64 1.73 2bo8C1 LEU 65 HG -0.16 0.02 -0.01 -0.04 1.64 1.45 2bo8C1 LEU 65 HD13 -0.24 -0.01 -0.32 -0.04 0.93 0.32 2bo8C1 LEU 65 HD23 -0.16 -0.02 -0.01 -0.04 0.89 0.66 2bo8C1 GLN 66 H -0.09 0.58 0.23 -0.55 8.47 8.65 2bo8C1 GLN 66 HA -0.01 0.05 0.61 -0.75 4.36 4.25 2bo8C1 GLN 66 HB2 -0.04 0.08 -0.27 -0.04 2.15 1.88 2bo8C1 GLN 66 HB3 -0.05 -0.06 -0.02 -0.04 2.02 1.84 2bo8C1 GLN 66 HG2 -0.17 0.17 0.23 -0.04 2.40 2.59 2bo8C1 GLN 66 HG3 -0.15 -0.02 -0.15 -0.04 2.39 2.04 2bo8C1 GLN 66 HE21 -0.00 -0.08 -0.14 -0.04 6.97 6.71 2bo8C1 GLN 66 HE22 -0.07 0.08 -0.25 -0.04 7.69 7.41 2bo8C1 GLU 67 H 0.01 0.13 0.13 -0.55 8.60 8.33 2bo8C1 GLU 67 HA -0.02 0.13 0.69 -0.75 4.29 4.34 2bo8C1 GLU 67 HB2 0.05 -0.01 0.02 -0.04 2.09 2.11 2bo8C1 GLU 67 HB3 0.03 0.05 -0.02 -0.04 1.99 2.01 2bo8C1 GLU 67 HG2 0.02 0.00 -0.04 -0.04 2.34 2.28 2bo8C1 GLU 67 HG3 0.02 0.03 -0.20 -0.04 2.34 2.15 2bo8C1 ARG 68 H -0.01 0.17 0.08 -0.55 8.46 8.15 2bo8C1 ARG 68 HA -0.02 0.02 0.78 -0.75 4.34 4.36 2bo8C1 ARG 68 HB2 -0.04 -0.01 0.07 -0.04 1.90 1.88 2bo8C1 ARG 68 HB3 -0.02 -0.00 0.18 -0.04 1.80 1.92 2bo8C1 ARG 68 HG2 -0.01 0.00 -0.02 -0.04 1.67 1.60 2bo8C1 ARG 68 HG3 -0.01 0.07 -0.27 -0.04 1.67 1.42 2bo8C1 ARG 68 HD2 -0.03 -0.05 0.00 -0.04 3.22 3.10 2bo8C1 ARG 68 HD3 -0.02 0.05 -0.02 -0.04 3.22 3.19 2bo8C1 LEU 69 H 0.01 0.01 0.15 -0.55 8.37 8.00 2bo8C1 LEU 69 HA 0.02 0.23 0.90 -0.75 4.35 4.74 2bo8C1 LEU 69 HB2 0.06 -0.03 -0.06 -0.04 1.64 1.57 2bo8C1 LEU 69 HB3 0.06 0.05 -0.01 -0.04 1.64 1.71 2bo8C1 LEU 69 HG 0.07 -0.04 -0.40 -0.04 1.64 1.23 2bo8C1 LEU 69 HD13 0.23 -0.02 -0.24 -0.04 0.93 0.86 2bo8C1 LEU 69 HD23 0.11 0.04 -0.14 -0.04 0.89 0.86 2bo8C1 GLY 70 H -0.01 -0.15 0.09 -0.55 8.43 7.81 2bo8C1 GLY 70 HA2 -0.01 0.27 0.74 -0.51 4.01 4.50 2bo8C1 GLY 70 HA3 -0.02 -0.11 0.32 -0.51 4.01 3.70 2bo8C1 THR 71 H -0.02 0.26 0.34 -0.55 8.28 8.31 2bo8C1 THR 71 HA -0.01 0.29 1.06 -0.75 4.39 4.98 2bo8C1 THR 71 HB -0.01 -0.01 0.10 -0.04 4.32 4.36 2bo8C1 THR 71 HG23 -0.01 0.01 -0.20 -0.04 1.22 0.97 2bo8C1 LEU 72 H -0.02 -0.06 0.18 -0.55 8.37 7.93 2bo8C1 LEU 72 HA -0.01 0.22 0.71 -0.75 4.35 4.52 2bo8C1 LEU 72 HB2 -0.02 -0.10 0.21 -0.04 1.64 1.69 2bo8C1 LEU 72 HB3 -0.01 -0.22 0.22 -0.04 1.64 1.59 2bo8C1 LEU 72 HG 0.00 -0.02 0.06 -0.04 1.64 1.64 2bo8C1 LEU 72 HD13 -0.01 0.03 -0.10 -0.04 0.93 0.82 2bo8C1 LEU 72 HD23 -0.01 0.02 -0.01 -0.04 0.89 0.85 2bo8C1 ARG 73 H -0.00 0.02 0.07 -0.55 8.46 7.99 2bo8C1 ARG 73 HA -0.01 0.21 0.47 -0.75 4.34 4.25 2bo8C1 ARG 73 HB2 0.01 0.03 0.08 -0.04 1.90 1.97 2bo8C1 ARG 73 HB3 -0.02 -0.20 0.03 -0.04 1.80 1.56 2bo8C1 ARG 73 HG2 -0.02 0.12 -0.37 -0.04 1.67 1.36 2bo8C1 ARG 73 HG3 0.01 0.09 -0.01 -0.04 1.67 1.72 2bo8C1 ARG 73 HD2 -0.00 0.04 -0.05 -0.04 3.22 3.16 2bo8C1 ARG 73 HD3 0.02 0.01 -0.02 -0.04 3.22 3.19 2bo8C1 PRO 74 HA -0.04 0.01 0.54 -0.51 4.44 4.45 2bo8C1 PRO 74 HB2 -0.03 0.03 0.08 -0.04 2.28 2.32 2bo8C1 PRO 74 HB3 -0.04 0.06 0.09 -0.04 2.02 2.08 2bo8C1 PRO 74 HG2 0.02 -0.02 0.14 -0.04 2.03 2.13 2bo8C1 PRO 74 HG3 -0.02 0.08 0.09 -0.04 2.03 2.14 2bo8C1 PRO 74 HD2 0.01 0.01 0.18 -0.04 3.68 3.84 2bo8C1 PRO 74 HD3 -0.01 0.28 0.17 -0.04 3.65 4.05 2bo8C1 GLY 75 H -0.09 0.45 0.15 -0.55 8.43 8.39 2bo8C1 GLY 75 HA2 -0.10 0.16 0.67 -0.51 4.01 4.23 2bo8C1 GLY 75 HA3 -0.32 -0.18 0.32 -0.51 4.01 3.32 2bo8C1 LYS 76 H -0.60 0.04 0.04 -0.55 8.42 7.34 2bo8C1 LYS 76 HA -0.20 0.05 0.24 -0.75 4.32 3.66 2bo8C1 LYS 76 HB2 -0.70 -0.07 0.09 -0.04 1.87 1.15 2bo8C1 LYS 76 HB3 -0.27 0.08 0.08 -0.04 1.79 1.64 2bo8C1 LYS 76 HG2 -0.07 -0.00 -0.01 -0.04 1.46 1.33 2bo8C1 LYS 76 HG3 -0.08 -0.02 0.00 -0.04 1.46 1.31 2bo8C1 LYS 76 HD2 0.21 -0.04 0.02 -0.04 1.69 1.83 2bo8C1 LYS 76 HD3 0.03 0.03 -0.05 -0.04 1.68 1.64 2bo8C1 LYS 76 HE2 0.05 0.04 -0.02 -0.04 2.99 3.02 2bo8C1 LYS 76 HE3 0.15 -0.06 0.01 -0.04 2.99 3.05 2bo8C1 GLY 77 H -0.18 0.41 -0.20 -0.55 8.43 7.91 2bo8C1 GLY 77 HA2 -0.12 -0.03 0.36 -0.51 4.01 3.72 2bo8C1 GLY 77 HA3 -0.09 0.26 0.29 -0.51 4.01 3.95 2bo8C1 ASP 78 H -0.06 0.34 -0.03 -0.55 8.40 8.10 2bo8C1 ASP 78 HA 0.01 0.03 0.39 -0.75 4.63 4.31 2bo8C1 ASP 78 HB2 -0.04 0.07 0.15 -0.04 2.71 2.84 2bo8C1 ASP 78 HB3 -0.03 0.22 0.03 -0.04 2.70 2.88 2bo8C1 GLY 79 H -0.04 0.31 -0.25 -0.55 8.43 7.89 2bo8C1 GLY 79 HA2 0.00 0.00 0.50 -0.51 4.01 4.00 2bo8C1 GLY 79 HA3 -0.01 -0.00 0.27 -0.51 4.01 3.75 2bo8C1 MET 80 H 0.01 0.59 0.06 -0.55 8.47 8.59 2bo8C1 MET 80 HA 0.31 0.03 0.49 -0.75 4.52 4.60 2bo8C1 MET 80 HB2 -0.03 0.05 0.05 -0.04 2.15 2.19 2bo8C1 MET 80 HB3 -0.16 0.01 -0.03 -0.04 2.03 1.81 2bo8C1 MET 80 HG2 -0.07 -0.01 -0.02 -0.04 2.63 2.48 2bo8C1 MET 80 HG3 -0.04 0.05 -0.00 -0.04 2.56 2.53 2bo8C1 MET 80 HE3 -0.79 0.02 -0.08 -0.04 2.10 1.22 2bo8C1 ASN 81 H 0.11 0.79 -0.07 -0.55 8.53 8.81 2bo8C1 ASN 81 HA 0.28 0.04 0.42 -0.75 4.76 4.75 2bo8C1 ASN 81 HB2 0.14 0.05 -0.01 -0.04 2.88 3.02 2bo8C1 ASN 81 HB3 0.30 0.01 -0.05 -0.04 2.79 3.01 2bo8C1 ASN 81 HD21 0.05 0.08 -0.30 -0.04 7.03 6.82 2bo8C1 ASN 81 HD22 0.06 0.04 -0.20 -0.04 7.74 7.60 2bo8C1 THR 82 H 0.12 0.47 -0.27 -0.55 8.28 8.05 2bo8C1 THR 82 HA 0.11 0.03 0.47 -0.75 4.39 4.25 2bo8C1 THR 82 HB 0.07 0.16 0.16 -0.04 4.32 4.67 2bo8C1 THR 82 HG23 0.06 0.02 -0.06 -0.04 1.22 1.20 2bo8C1 ALA 83 H 0.18 0.34 -0.37 -0.55 8.40 8.01 2bo8C1 ALA 83 HA 0.14 0.02 0.30 -0.75 4.34 4.04 2bo8C1 ALA 83 HB3 0.19 0.04 0.02 -0.04 1.41 1.62 2bo8C1 LEU 84 H 0.25 0.55 -0.09 -0.55 8.37 8.54 2bo8C1 LEU 84 HA 0.19 -0.01 0.36 -0.75 4.35 4.14 2bo8C1 LEU 84 HB2 0.21 0.06 0.17 -0.04 1.64 2.04 2bo8C1 LEU 84 HB3 0.01 0.03 -0.04 -0.04 1.64 1.60 2bo8C1 LEU 84 HG 0.17 0.03 -0.00 -0.04 1.64 1.80 2bo8C1 LEU 84 HD13 0.28 0.00 -0.07 -0.04 0.93 1.09 2bo8C1 LEU 84 HD23 0.19 -0.01 -0.13 -0.04 0.89 0.90 2bo8C1 ARG 85 H -0.14 0.62 -0.23 -0.55 8.46 8.15 2bo8C1 ARG 85 HA -0.66 -0.00 0.30 -0.75 4.34 3.22 2bo8C1 ARG 85 HB2 -0.25 0.04 0.07 -0.04 1.90 1.72 2bo8C1 ARG 85 HB3 -0.01 0.07 0.09 -0.04 1.80 1.91 2bo8C1 ARG 85 HG2 -0.08 -0.04 -0.14 -0.04 1.67 1.38 2bo8C1 ARG 85 HG3 -0.06 -0.00 -0.01 -0.04 1.67 1.55 2bo8C1 ARG 85 HD2 0.08 -0.02 -0.07 -0.04 3.22 3.17 2bo8C1 ARG 85 HD3 0.15 -0.01 -0.05 -0.04 3.22 3.27 2bo8C1 TYR 86 H 0.15 0.64 -0.15 -0.55 8.29 8.39 2bo8C1 TYR 86 HA 0.00 -0.01 0.31 -0.75 4.56 4.11 2bo8C1 TYR 86 HB2 0.04 -0.02 0.02 -0.04 3.06 3.06 2bo8C1 TYR 86 HB3 0.07 0.05 0.09 -0.04 2.98 3.14 2bo8C1 TYR 86 HD2 0.09 -0.00 -0.18 -0.04 7.15 7.02 2bo8C1 TYR 86 HE2 0.13 -0.01 -0.15 -0.04 6.85 6.78 2bo8C1 PHE 87 H 0.31 0.74 -0.15 -0.55 8.34 8.70 2bo8C1 PHE 87 HA 0.02 -0.06 0.23 -0.75 4.62 4.06 2bo8C1 PHE 87 HB2 0.07 -0.04 -0.01 -0.04 3.15 3.12 2bo8C1 PHE 87 HB3 0.00 0.14 0.12 -0.04 3.06 3.27 2bo8C1 PHE 87 HD2 0.11 -0.02 -0.12 -0.04 7.28 7.21 2bo8C1 PHE 87 HE2 0.14 -0.10 -0.29 -0.04 7.38 7.09 2bo8C1 PHE 87 HZ 0.08 -0.08 -0.61 -0.04 7.32 6.66 2bo8C1 LEU 88 H -0.05 0.67 -0.17 -0.55 8.37 8.27 2bo8C1 LEU 88 HA -0.44 0.05 0.32 -0.75 4.35 3.52 2bo8C1 LEU 88 HB2 -0.18 0.04 0.06 -0.04 1.64 1.52 2bo8C1 LEU 88 HB3 -0.13 -0.06 -0.04 -0.04 1.64 1.37 2bo8C1 LEU 88 HG 0.06 0.04 -0.06 -0.04 1.64 1.64 2bo8C1 LEU 88 HD13 -0.03 -0.01 -0.25 -0.04 0.93 0.61 2bo8C1 LEU 88 HD23 -0.09 -0.02 -0.13 -0.04 0.89 0.60 2bo8C1 GLU 89 H -0.17 0.70 0.02 -0.55 8.60 8.60 2bo8C1 GLU 89 HA -0.14 0.10 0.49 -0.75 4.29 3.99 2bo8C1 GLU 89 HB2 -0.09 0.08 -0.01 -0.04 2.09 2.03 2bo8C1 GLU 89 HB3 -0.07 -0.08 0.07 -0.04 1.99 1.87 2bo8C1 GLU 89 HG2 -0.04 -0.03 -0.04 -0.04 2.34 2.20 2bo8C1 GLU 89 HG3 -0.09 0.01 -0.01 -0.04 2.34 2.21 2bo8C1 GLU 90 H -0.32 0.46 -0.19 -0.55 8.60 8.00 2bo8C1 GLU 90 HA -0.23 0.16 0.97 -0.75 4.29 4.43 2bo8C1 GLU 90 HB2 -0.80 0.09 0.04 -0.04 2.09 1.37 2bo8C1 GLU 90 HB3 -0.35 -0.09 0.14 -0.04 1.99 1.65 2bo8C1 GLU 90 HG2 -0.11 0.04 -0.07 -0.04 2.34 2.16 2bo8C1 GLU 90 HG3 -0.14 -0.05 -0.44 -0.04 2.34 1.67 2bo8C1 THR 91 H -0.37 0.38 -0.01 -0.55 8.28 7.73 2bo8C1 THR 91 HA -0.50 0.16 0.84 -0.75 4.39 4.13 2bo8C1 THR 91 HB -0.94 -0.10 0.12 -0.04 4.32 3.36 2bo8C1 THR 91 HG23 -0.14 0.05 -0.30 -0.04 1.22 0.79 2bo8C1 GLN 92 H -1.14 0.12 0.12 -0.55 8.47 7.02 2bo8C1 GLN 92 HA -0.35 0.25 0.84 -0.75 4.36 4.35 2bo8C1 GLN 92 HB2 -0.53 -0.03 0.04 -0.04 2.15 1.59 2bo8C1 GLN 92 HB3 -0.43 -0.01 0.01 -0.04 2.02 1.55 2bo8C1 GLN 92 HG2 -0.19 -0.04 0.03 -0.04 2.40 2.15 2bo8C1 GLN 92 HG3 -0.18 0.01 0.11 -0.04 2.39 2.29 2bo8C1 GLN 92 HE21 -0.16 -0.00 -0.06 -0.04 6.97 6.71 2bo8C1 GLN 92 HE22 -0.16 -0.04 -0.03 -0.04 7.69 7.43 2bo8C1 TRP 93 H -0.41 0.06 -0.16 -0.55 7.97 6.91 2bo8C1 TRP 93 HA 0.08 0.09 0.18 -0.75 4.62 4.22 2bo8C1 TRP 93 HB2 0.46 0.01 -0.02 -0.04 3.23 3.64 2bo8C1 TRP 93 HB3 0.25 0.01 0.10 -0.04 3.23 3.55 2bo8C1 TRP 93 HD1 0.25 -0.01 -0.07 -0.04 7.22 7.36 2bo8C1 TRP 93 HE1 0.14 0.03 -0.09 -0.04 10.20 10.24 2bo8C1 TRP 93 HE3 0.05 0.02 -0.06 -0.04 7.59 7.55 2bo8C1 TRP 93 HZ2 0.07 0.05 -0.03 -0.04 7.44 7.50 2bo8C1 TRP 93 HZ3 -0.25 0.00 -0.02 -0.04 7.13 6.82 2bo8C1 TRP 93 HH2 -0.05 0.02 0.02 -0.04 7.19 7.14 2bo8C1 GLU 94 H 0.41 0.17 0.22 -0.55 8.60 8.85 2bo8C1 GLU 94 HA 0.16 0.18 0.69 -0.75 4.29 4.57 2bo8C1 GLU 94 HB2 0.19 0.04 0.13 -0.04 2.09 2.41 2bo8C1 GLU 94 HB3 0.14 -0.05 0.10 -0.04 1.99 2.14 2bo8C1 GLU 94 HG2 0.13 0.06 0.03 -0.04 2.34 2.51 2bo8C1 GLU 94 HG3 0.09 -0.01 0.05 -0.04 2.34 2.43 2bo8C1 ARG 95 H 0.40 0.15 0.07 -0.55 8.46 8.53 2bo8C1 ARG 95 HA 0.14 0.20 0.96 -0.75 4.34 4.89 2bo8C1 ARG 95 HB2 0.08 -0.01 0.02 -0.04 1.90 1.95 2bo8C1 ARG 95 HB3 -0.04 0.04 -0.08 -0.04 1.80 1.67 2bo8C1 ARG 95 HG2 0.06 0.03 -0.08 -0.04 1.67 1.65 2bo8C1 ARG 95 HG3 0.13 -0.12 -0.51 -0.04 1.67 1.12 2bo8C1 ARG 95 HD2 0.08 0.03 -0.07 -0.04 3.22 3.21 2bo8C1 ARG 95 HD3 0.02 -0.02 -0.12 -0.04 3.22 3.06 2bo8C1 ILE 96 H -0.25 0.72 0.32 -0.55 8.25 8.49 2bo8C1 ILE 96 HA -0.36 0.28 1.11 -0.75 4.18 4.45 2bo8C1 ILE 96 HB -2.03 -0.00 -0.11 -0.04 1.89 -0.29 2bo8C1 ILE 96 HG12 -0.77 0.04 -0.28 -0.04 1.49 0.44 2bo8C1 ILE 96 HG13 -0.57 0.05 -0.02 -0.04 1.21 0.62 2bo8C1 ILE 96 HG23 -0.43 -0.01 -0.02 -0.04 0.93 0.43 2bo8C1 ILE 96 HD13 -0.54 -0.03 -0.20 -0.04 0.88 0.07 2bo8C1 HIS 97 H -0.10 0.80 0.46 -0.55 8.41 9.03 2bo8C1 HIS 97 HA -0.16 0.25 1.24 -0.75 4.63 5.21 2bo8C1 HIS 97 HB2 -0.15 -0.09 0.20 -0.04 3.26 3.18 2bo8C1 HIS 97 HB3 -0.32 0.00 -0.04 -0.04 3.20 2.80 2bo8C1 HIS 97 HD2 -0.08 0.10 -0.23 -0.04 6.97 6.71 2bo8C1 HIS 97 HE1 0.14 0.04 0.01 -0.04 7.75 7.89 2bo8C1 PHE 98 H -0.02 0.70 0.43 -0.55 8.34 8.89 2bo8C1 PHE 98 HA -0.22 0.25 0.96 -0.75 4.62 4.85 2bo8C1 PHE 98 HB2 -0.07 -0.03 0.15 -0.04 3.15 3.16 2bo8C1 PHE 98 HB3 -0.04 -0.00 0.07 -0.04 3.06 3.05 2bo8C1 PHE 98 HD2 -0.05 -0.00 -0.11 -0.04 7.28 7.08 2bo8C1 PHE 98 HE2 -0.05 -0.02 -0.08 -0.04 7.38 7.18 2bo8C1 PHE 98 HZ 0.02 0.06 -0.07 -0.04 7.32 7.29 2bo8C1 TYR 99 H -0.08 0.63 0.34 -0.55 8.29 8.63 2bo8C1 TYR 99 HA 0.17 0.02 0.60 -0.75 4.56 4.60 2bo8C1 TYR 99 HB2 -0.45 0.03 -0.00 -0.04 3.06 2.60 2bo8C1 TYR 99 HB3 -0.10 -0.03 -0.00 -0.04 2.98 2.81 2bo8C1 TYR 99 HD2 -0.04 -0.04 -0.09 -0.04 7.15 6.93 2bo8C1 TYR 99 HE2 -0.12 -0.00 -0.12 -0.04 6.85 6.56 2bo8C1 ASP 100 H 0.26 0.04 0.04 -0.55 8.40 8.20 2bo8C1 ASP 100 HA 0.20 0.14 0.54 -0.75 4.63 4.76 2bo8C1 ASP 100 HB2 0.14 -0.01 0.09 -0.04 2.71 2.89 2bo8C1 ASP 100 HB3 0.12 -0.16 0.07 -0.04 2.70 2.69 2bo8C1 ALA 101 H 0.18 0.25 0.23 -0.55 8.40 8.52 2bo8C1 ALA 101 HA 0.06 0.21 0.45 -0.75 4.34 4.31 2bo8C1 ALA 101 HB3 0.12 -0.01 -0.06 -0.04 1.41 1.42 2bo8C1 ASP 102 H 0.10 0.03 -0.17 -0.55 8.40 7.81 2bo8C1 ASP 102 HA 0.05 0.14 0.47 -0.75 4.63 4.53 2bo8C1 ASP 102 HB2 0.11 -0.03 0.20 -0.04 2.71 2.95 2bo8C1 ASP 102 HB3 0.11 -0.01 0.09 -0.04 2.70 2.84 2bo8C1 ILE 103 H 0.03 0.19 -0.58 -0.55 8.25 7.33 2bo8C1 ILE 103 HA 0.08 0.11 0.49 -0.75 4.18 4.10 2bo8C1 ILE 103 HB -0.13 0.17 0.03 -0.04 1.89 1.92 2bo8C1 ILE 103 HG12 0.12 -0.03 -0.09 -0.04 1.49 1.46 2bo8C1 ILE 103 HG13 0.08 -0.17 -0.11 -0.04 1.21 0.97 2bo8C1 ILE 103 HG23 -0.18 -0.04 -0.18 -0.04 0.93 0.48 2bo8C1 ILE 103 HD13 0.21 0.07 -0.01 -0.04 0.88 1.12 2bo8C1 THR 104 H 0.05 0.99 0.42 -0.55 8.28 9.19 2bo8C1 THR 104 HA 0.01 0.29 1.14 -0.75 4.39 5.08 2bo8C1 THR 104 HB -0.02 -0.02 0.18 -0.04 4.32 4.43 2bo8C1 THR 104 HG23 0.00 0.02 -0.07 -0.04 1.22 1.13 2bo8C1 SER 105 H 0.05 -0.00 -0.04 -0.55 8.46 7.91 2bo8C1 SER 105 HA 0.07 0.26 0.80 -0.75 4.49 4.86 2bo8C1 SER 105 HB2 0.25 0.06 0.11 -0.04 3.95 4.32 2bo8C1 SER 105 HB3 0.12 0.02 -0.02 -0.04 3.93 4.01 2bo8C1 PHE 106 H -0.07 0.10 -0.25 -0.55 8.34 7.57 2bo8C1 PHE 106 HA -1.85 0.00 0.44 -0.75 4.62 2.47 2bo8C1 PHE 106 HB2 -0.66 -0.05 -0.00 -0.04 3.15 2.40 2bo8C1 PHE 106 HB3 -0.42 0.06 -0.04 -0.04 3.06 2.62 2bo8C1 PHE 106 HD2 -1.18 -0.03 -0.07 -0.04 7.28 5.95 2bo8C1 PHE 106 HE2 -1.04 0.02 -0.09 -0.04 7.38 6.23 2bo8C1 PHE 106 HZ -0.63 0.03 -0.12 -0.04 7.32 6.56 2bo8C1 GLY 107 H -1.66 0.20 0.23 -0.55 8.43 6.65 2bo8C1 GLY 107 HA2 -0.35 0.20 0.50 -0.51 4.01 3.85 2bo8C1 GLY 107 HA3 -0.17 0.05 0.28 -0.51 4.01 3.65 2bo8C1 PRO 108 HA -0.08 0.11 0.28 -0.51 4.44 4.24 2bo8C1 PRO 108 HB2 0.00 0.03 -0.03 -0.04 2.28 2.25 2bo8C1 PRO 108 HB3 -0.02 0.18 0.06 -0.04 2.02 2.20 2bo8C1 PRO 108 HG2 -0.03 -0.04 0.09 -0.04 2.03 2.02 2bo8C1 PRO 108 HG3 -0.06 0.15 0.07 -0.04 2.03 2.15 2bo8C1 PRO 108 HD2 -0.07 0.10 0.19 -0.04 3.68 3.86 2bo8C1 PRO 108 HD3 -0.13 0.21 0.17 -0.04 3.65 3.86 2bo8C1 ASP 109 H 0.04 0.18 -0.04 -0.55 8.40 8.04 2bo8C1 ASP 109 HA 0.11 0.07 0.40 -0.75 4.63 4.46 2bo8C1 ASP 109 HB2 0.15 -0.09 -0.33 -0.04 2.71 2.40 2bo8C1 ASP 109 HB3 0.72 -0.07 -0.07 -0.04 2.70 3.24 2bo8C1 TRP 110 H 0.46 0.39 -0.22 -0.55 7.97 8.06 2bo8C1 TRP 110 HA 0.09 0.02 0.21 -0.75 4.62 4.19 2bo8C1 TRP 110 HB2 -0.51 0.08 0.05 -0.04 3.23 2.81 2bo8C1 TRP 110 HB3 -0.16 0.01 -0.04 -0.04 3.23 3.00 2bo8C1 TRP 110 HD1 -0.19 -0.12 0.01 -0.04 7.22 6.88 2bo8C1 TRP 110 HE1 -0.04 0.15 0.01 -0.04 10.20 10.28 2bo8C1 TRP 110 HE3 0.13 0.04 -0.05 -0.04 7.59 7.67 2bo8C1 TRP 110 HZ2 0.07 0.23 -0.19 -0.04 7.44 7.50 2bo8C1 TRP 110 HZ3 0.39 -0.06 -0.06 -0.04 7.13 7.37 2bo8C1 TRP 110 HH2 -0.12 -0.12 -0.10 -0.04 7.19 6.82 2bo8C1 ILE 111 H 0.00 0.26 -0.16 -0.55 8.25 7.80 2bo8C1 ILE 111 HA 0.25 0.07 0.50 -0.75 4.18 4.24 2bo8C1 ILE 111 HB -0.33 0.10 0.14 -0.04 1.89 1.75 2bo8C1 ILE 111 HG12 -0.28 0.03 -0.07 -0.04 1.49 1.13 2bo8C1 ILE 111 HG13 -0.15 -0.13 -0.08 -0.04 1.21 0.82 2bo8C1 ILE 111 HG23 -0.77 0.02 -0.19 -0.04 0.93 -0.05 2bo8C1 ILE 111 HD13 -0.10 0.02 -0.08 -0.04 0.88 0.67 2bo8C1 THR 112 H 0.15 0.54 0.00 -0.55 8.28 8.43 2bo8C1 THR 112 HA 0.15 0.04 0.32 -0.75 4.39 4.15 2bo8C1 THR 112 HB 0.15 0.05 0.12 -0.04 4.32 4.59 2bo8C1 THR 112 HG23 0.11 -0.00 -0.11 -0.04 1.22 1.17 2bo8C1 LYS 113 H 0.16 0.60 -0.18 -0.55 8.42 8.44 2bo8C1 LYS 113 HA 0.09 0.01 0.24 -0.75 4.32 3.91 2bo8C1 LYS 113 HB2 0.15 0.05 0.04 -0.04 1.87 2.06 2bo8C1 LYS 113 HB3 0.10 -0.05 -0.04 -0.04 1.79 1.76 2bo8C1 LYS 113 HG2 0.07 -0.03 0.00 -0.04 1.46 1.47 2bo8C1 LYS 113 HG3 0.09 0.11 0.04 -0.04 1.46 1.65 2bo8C1 LYS 113 HD2 0.03 -0.04 -0.01 -0.04 1.69 1.62 2bo8C1 LYS 113 HD3 -0.00 -0.02 -0.09 -0.04 1.68 1.53 2bo8C1 LYS 113 HE2 0.06 -0.07 -0.03 -0.04 2.99 2.91 2bo8C1 LYS 113 HE3 0.08 -0.02 0.01 -0.04 2.99 3.01 2bo8C1 ALA 114 H 0.28 0.47 -0.19 -0.55 8.40 8.41 2bo8C1 ALA 114 HA 0.02 -0.04 0.39 -0.75 4.34 3.96 2bo8C1 ALA 114 HB3 0.19 0.02 0.06 -0.04 1.41 1.64 2bo8C1 GLU 115 H 0.17 0.64 -0.18 -0.55 8.60 8.69 2bo8C1 GLU 115 HA 0.07 -0.01 0.15 -0.75 4.29 3.75 2bo8C1 GLU 115 HB2 0.10 0.06 0.03 -0.04 2.09 2.24 2bo8C1 GLU 115 HB3 0.09 -0.02 -0.02 -0.04 1.99 2.00 2bo8C1 GLU 115 HG2 0.25 0.02 -0.04 -0.04 2.34 2.54 2bo8C1 GLU 115 HG3 0.03 -0.07 -0.15 -0.04 2.34 2.12 2bo8C1 GLU 116 H 0.08 0.46 -0.40 -0.55 8.60 8.20 2bo8C1 GLU 116 HA 0.07 0.05 0.47 -0.75 4.29 4.12 2bo8C1 GLU 116 HB2 0.04 0.05 0.12 -0.04 2.09 2.25 2bo8C1 GLU 116 HB3 0.03 -0.06 -0.01 -0.04 1.99 1.92 2bo8C1 GLU 116 HG2 0.07 -0.02 -0.02 -0.04 2.34 2.32 2bo8C1 GLU 116 HG3 0.08 0.24 0.02 -0.04 2.34 2.64 2bo8C1 ALA 117 H -0.03 0.48 0.03 -0.55 8.40 8.34 2bo8C1 ALA 117 HA -0.15 0.00 0.44 -0.75 4.34 3.88 2bo8C1 ALA 117 HB3 -0.24 0.02 0.08 -0.04 1.41 1.22 2bo8C1 ALA 118 H 0.05 0.60 -0.17 -0.55 8.40 8.35 2bo8C1 ALA 118 HA 0.13 0.07 0.36 -0.75 4.34 4.15 2bo8C1 ALA 118 HB3 0.04 0.02 -0.02 -0.04 1.41 1.41 2bo8C1 ASP 119 H 0.09 0.47 -0.27 -0.55 8.40 8.14 2bo8C1 ASP 119 HA 0.06 -0.01 0.40 -0.75 4.63 4.33 2bo8C1 ASP 119 HB2 0.10 0.22 0.18 -0.04 2.71 3.17 2bo8C1 ASP 119 HB3 0.07 -0.10 -0.00 -0.04 2.70 2.63 2bo8C1 PHE 120 H 0.24 0.33 -0.27 -0.55 8.34 8.08 2bo8C1 PHE 120 HA -0.03 -0.02 0.52 -0.75 4.62 4.34 2bo8C1 PHE 120 HB2 0.00 0.00 0.18 -0.04 3.15 3.29 2bo8C1 PHE 120 HB3 0.06 0.03 0.06 -0.04 3.06 3.16 2bo8C1 PHE 120 HD2 -0.11 0.01 -0.06 -0.04 7.28 7.07 2bo8C1 PHE 120 HE2 -0.01 -0.03 -0.03 -0.04 7.38 7.27 2bo8C1 PHE 120 HZ 0.00 -0.04 -0.01 -0.04 7.32 7.23 2bo8C1 GLY 121 H 0.10 0.40 -0.34 -0.55 8.43 8.04 2bo8C1 GLY 121 HA2 -0.06 0.01 0.26 -0.51 4.01 3.71 2bo8C1 GLY 121 HA3 -0.18 0.13 0.90 -0.51 4.01 4.35 2bo8C1 TYR 122 H 0.20 0.23 0.04 -0.55 8.29 8.21 2bo8C1 TYR 122 HA 0.06 0.03 0.21 -0.75 4.56 4.11 2bo8C1 TYR 122 HB2 0.05 -0.05 -0.18 -0.04 3.06 2.84 2bo8C1 TYR 122 HB3 0.08 0.08 -0.02 -0.04 2.98 3.08 2bo8C1 TYR 122 HD2 0.05 0.12 -0.30 -0.04 7.15 6.98 2bo8C1 TYR 122 HE2 -0.08 -0.01 -0.15 -0.04 6.85 6.57 2bo8C1 GLY 123 H 0.16 0.52 0.35 -0.55 8.43 8.92 2bo8C1 GLY 123 HA2 0.06 0.09 0.69 -0.51 4.01 4.33 2bo8C1 GLY 123 HA3 0.05 -0.03 0.42 -0.51 4.01 3.95 2bo8C1 LEU 124 H 0.12 0.43 0.22 -0.55 8.37 8.59 2bo8C1 LEU 124 HA 0.01 0.30 0.98 -0.75 4.35 4.88 2bo8C1 LEU 124 HB2 0.01 -0.04 -0.18 -0.04 1.64 1.39 2bo8C1 LEU 124 HB3 0.02 -0.05 0.03 -0.04 1.64 1.61 2bo8C1 LEU 124 HG -0.02 0.00 -0.10 -0.04 1.64 1.48 2bo8C1 LEU 124 HD13 -0.01 -0.01 -0.21 -0.04 0.93 0.66 2bo8C1 LEU 124 HD23 -0.02 0.00 -0.10 -0.04 0.89 0.73 2bo8C1 VAL 125 H -0.02 0.75 0.33 -0.55 8.24 8.75 2bo8C1 VAL 125 HA -0.01 0.30 1.19 -0.75 4.13 4.86 2bo8C1 VAL 125 HB -0.08 -0.08 0.21 -0.04 2.12 2.12 2bo8C1 VAL 125 HG13 -0.04 -0.01 -0.12 -0.04 0.97 0.75 2bo8C1 VAL 125 HG23 0.03 0.02 -0.17 -0.04 0.95 0.79 2bo8C1 ARG 126 H -0.07 0.67 0.35 -0.55 8.46 8.87 2bo8C1 ARG 126 HA -0.02 0.20 1.11 -0.75 4.34 4.87 2bo8C1 ARG 126 HB2 -0.03 -0.09 0.10 -0.04 1.90 1.84 2bo8C1 ARG 126 HB3 0.02 0.07 0.01 -0.04 1.80 1.86 2bo8C1 ARG 126 HG2 0.01 0.04 -0.14 -0.04 1.67 1.55 2bo8C1 ARG 126 HG3 -0.02 -0.01 -0.18 -0.04 1.67 1.43 2bo8C1 ARG 126 HD2 -0.02 0.06 -0.14 -0.04 3.22 3.08 2bo8C1 ARG 126 HD3 -0.02 -0.07 -0.12 -0.04 3.22 2.97 2bo8C1 HIS 127 H 0.13 0.59 0.28 -0.55 8.41 8.86 2bo8C1 HIS 127 HA -0.13 0.13 0.75 -0.75 4.63 4.62 2bo8C1 HIS 127 HB2 0.03 -0.05 0.16 -0.04 3.26 3.36 2bo8C1 HIS 127 HB3 -0.44 -0.03 0.01 -0.04 3.20 2.69 2bo8C1 HIS 127 HD2 -0.09 -0.01 -0.09 -0.04 6.97 6.72 2bo8C1 HIS 127 HE1 0.47 0.04 -0.15 -0.04 7.75 8.07 2bo8C1 TYR 128 H -0.18 0.77 0.35 -0.55 8.29 8.68 2bo8C1 TYR 128 HA -0.42 0.09 0.50 -0.75 4.56 3.97 2bo8C1 TYR 128 HB2 -0.02 -0.03 0.07 -0.04 3.06 3.03 2bo8C1 TYR 128 HB3 -0.08 0.00 -0.13 -0.04 2.98 2.73 2bo8C1 TYR 128 HD2 0.01 0.06 -0.23 -0.04 7.15 6.96 2bo8C1 TYR 128 HE2 0.05 0.02 -0.26 -0.04 6.85 6.62 2bo8C1 PHE 129 H 0.12 0.20 0.13 -0.55 8.34 8.24 2bo8C1 PHE 129 HA -0.43 0.27 0.93 -0.75 4.62 4.64 2bo8C1 PHE 129 HB2 0.05 0.02 -0.01 -0.04 3.15 3.18 2bo8C1 PHE 129 HB3 -0.08 -0.02 0.10 -0.04 3.06 3.03 2bo8C1 PHE 129 HD2 -0.14 0.06 -0.11 -0.04 7.28 7.05 2bo8C1 PHE 129 HE2 -0.65 -0.00 -0.13 -0.04 7.38 6.55 2bo8C1 PHE 129 HZ 0.09 -0.01 -0.11 -0.04 7.32 7.26 2bo8C1 PRO 130 HA 0.29 0.11 0.58 -0.51 4.44 4.90 2bo8C1 PRO 130 HB2 0.08 -0.03 0.00 -0.04 2.28 2.30 2bo8C1 PRO 130 HB3 0.20 0.09 0.12 -0.04 2.02 2.39 2bo8C1 PRO 130 HG2 0.04 -0.10 0.03 -0.04 2.03 1.96 2bo8C1 PRO 130 HG3 -0.02 0.25 0.10 -0.04 2.03 2.33 2bo8C1 PRO 130 HD2 -0.08 0.05 0.29 -0.04 3.68 3.90 2bo8C1 PRO 130 HD3 -0.36 0.17 0.15 -0.04 3.65 3.57 2bo8C1 ARG 131 H 0.30 0.27 0.16 -0.55 8.46 8.63 2bo8C1 ARG 131 HA 0.21 0.08 0.80 -0.75 4.34 4.68 2bo8C1 ARG 131 HB2 0.32 0.00 -0.08 -0.04 1.90 2.11 2bo8C1 ARG 131 HB3 0.28 0.07 -0.10 -0.04 1.80 2.00 2bo8C1 ARG 131 HG2 0.33 0.14 -0.31 -0.04 1.67 1.79 2bo8C1 ARG 131 HG3 0.35 -0.01 -0.12 -0.04 1.67 1.85 2bo8C1 ARG 131 HD2 0.24 -0.02 0.11 -0.04 3.22 3.51 2bo8C1 ARG 131 HD3 0.31 0.07 -0.28 -0.04 3.22 3.29 2bo8C1 ALA 132 H 0.18 0.08 0.15 -0.55 8.40 8.26 2bo8C1 ALA 132 HA 0.22 0.16 0.64 -0.75 4.34 4.60 2bo8C1 ALA 132 HB3 0.11 0.08 0.17 -0.04 1.41 1.74 2bo8C1 SER 133 H 0.26 0.22 0.26 -0.55 8.46 8.65 2bo8C1 SER 133 HA 0.08 0.15 0.33 -0.75 4.49 4.29 2bo8C1 SER 133 HB2 -0.00 0.03 0.12 -0.04 3.95 4.06 2bo8C1 SER 133 HB3 0.10 -0.01 0.21 -0.04 3.93 4.19 2bo8C1 THR 134 H 0.13 0.03 -0.30 -0.55 8.28 7.60 2bo8C1 THR 134 HA 0.25 0.32 1.00 -0.75 4.39 5.20 2bo8C1 THR 134 HB 0.31 -0.01 0.14 -0.04 4.32 4.73 2bo8C1 THR 134 HG23 0.02 0.02 -0.05 -0.04 1.22 1.16 2bo8C1 ASP 135 H 0.19 0.65 -0.17 -0.55 8.40 8.51 2bo8C1 ASP 135 HA 0.24 0.05 0.72 -0.75 4.63 4.89 2bo8C1 ASP 135 HB2 0.23 0.23 0.06 -0.04 2.71 3.19 2bo8C1 ASP 135 HB3 0.25 -0.05 0.06 -0.04 2.70 2.91 2bo8C1 ALA 136 H 0.26 0.11 0.16 -0.55 8.40 8.39 2bo8C1 ALA 136 HA 0.21 -0.08 0.37 -0.75 4.34 4.09 2bo8C1 ALA 136 HB3 0.30 0.10 -0.02 -0.04 1.41 1.75 2bo8C1 MET 137 H 0.20 0.12 -0.15 -0.55 8.47 8.09 2bo8C1 MET 137 HA 0.18 0.21 0.42 -0.75 4.52 4.58 2bo8C1 MET 137 HB2 0.16 -0.05 0.02 -0.04 2.15 2.24 2bo8C1 MET 137 HB3 -0.05 0.03 0.02 -0.04 2.03 1.99 2bo8C1 MET 137 HG2 0.07 0.09 -0.30 -0.04 2.63 2.44 2bo8C1 MET 137 HG3 -0.17 -0.01 -0.03 -0.04 2.56 2.31 2bo8C1 MET 137 HE3 -0.18 0.05 -0.19 -0.04 2.10 1.74 2bo8C1 ILE 138 H 0.20 0.01 -0.19 -0.55 8.25 7.72 2bo8C1 ILE 138 HA 0.10 0.20 0.59 -0.75 4.18 4.32 2bo8C1 ILE 138 HB -0.07 -0.05 0.03 -0.04 1.89 1.76 2bo8C1 ILE 138 HG12 -0.77 0.09 -0.07 -0.04 1.49 0.70 2bo8C1 ILE 138 HG13 -0.04 -0.09 -0.05 -0.04 1.21 0.99 2bo8C1 ILE 138 HG23 -0.19 0.03 -0.12 -0.04 0.93 0.60 2bo8C1 ILE 138 HD13 -0.38 0.02 -0.10 -0.04 0.88 0.37 2bo8C1 THR 139 H 0.07 -0.02 -0.20 -0.55 8.28 7.58 2bo8C1 THR 139 HA -0.09 0.01 0.34 -0.75 4.39 3.89 2bo8C1 THR 139 HB 0.01 0.16 0.21 -0.04 4.32 4.66 2bo8C1 THR 139 HG23 -0.40 0.04 -0.02 -0.04 1.22 0.79 2bo8C1 TRP 140 H 0.24 0.55 -0.09 -0.55 7.97 8.12 2bo8C1 TRP 140 HA -0.03 0.11 0.42 -0.75 4.62 4.36 2bo8C1 TRP 140 HB2 -0.10 0.01 0.12 -0.04 3.23 3.22 2bo8C1 TRP 140 HB3 -0.13 0.01 -0.06 -0.04 3.23 3.01 2bo8C1 TRP 140 HD1 -0.02 0.19 0.07 -0.04 7.22 7.42 2bo8C1 TRP 140 HE1 -0.01 -0.03 -0.02 -0.04 10.20 10.10 2bo8C1 TRP 140 HE3 -0.16 -0.02 0.00 -0.04 7.59 7.36 2bo8C1 TRP 140 HZ2 -0.28 -0.01 -0.02 -0.04 7.44 7.08 2bo8C1 TRP 140 HZ3 -0.38 0.10 -0.20 -0.04 7.13 6.61 2bo8C1 TRP 140 HH2 -1.36 0.01 -0.09 -0.04 7.19 5.71 2bo8C1 MET 141 H 0.29 0.39 -0.12 -0.55 8.47 8.48 2bo8C1 MET 141 HA 0.32 0.12 0.31 -0.75 4.52 4.51 2bo8C1 MET 141 HB2 0.44 0.11 0.07 -0.04 2.15 2.73 2bo8C1 MET 141 HB3 -0.08 -0.02 0.06 -0.04 2.03 1.95 2bo8C1 MET 141 HG2 -0.04 -0.02 0.06 -0.04 2.63 2.59 2bo8C1 MET 141 HG3 -0.39 -0.05 -0.04 -0.04 2.56 2.04 2bo8C1 MET 141 HE3 -0.45 0.00 -0.06 -0.04 2.10 1.55 2bo8C1 ILE 142 H 0.23 0.33 -0.24 -0.55 8.25 8.02 2bo8C1 ILE 142 HA 0.55 0.25 1.00 -0.75 4.18 5.23 2bo8C1 ILE 142 HB 0.05 -0.05 0.12 -0.04 1.89 1.97 2bo8C1 ILE 142 HG12 0.33 0.03 0.02 -0.04 1.49 1.84 2bo8C1 ILE 142 HG13 0.61 0.14 -0.25 -0.04 1.21 1.68 2bo8C1 ILE 142 HG23 0.08 -0.01 -0.25 -0.04 0.93 0.71 2bo8C1 ILE 142 HD13 -0.31 -0.02 -0.07 -0.04 0.88 0.44 2bo8C1 THR 143 H -0.03 0.44 0.10 -0.55 8.28 8.25 2bo8C1 THR 143 HA -0.31 0.11 0.42 -0.75 4.39 3.87 2bo8C1 THR 143 HB -0.20 0.05 0.16 -0.04 4.32 4.29 2bo8C1 THR 143 HG23 -0.52 0.01 -0.15 -0.04 1.22 0.52 2bo8C1 ARG 144 H -0.19 0.72 0.23 -0.55 8.46 8.67 2bo8C1 ARG 144 HA -0.06 0.07 0.44 -0.75 4.34 4.04 2bo8C1 ARG 144 HB2 -0.25 0.01 0.16 -0.04 1.90 1.78 2bo8C1 ARG 144 HB3 -0.20 0.08 0.07 -0.04 1.80 1.71 2bo8C1 ARG 144 HG2 -0.19 0.07 0.02 -0.04 1.67 1.53 2bo8C1 ARG 144 HG3 -0.38 -0.08 0.04 -0.04 1.67 1.20 2bo8C1 ARG 144 HD2 -0.71 0.07 -0.02 -0.04 3.22 2.53 2bo8C1 ARG 144 HD3 -1.66 -0.14 -0.04 -0.04 3.22 1.34 2bo8C1 THR 145 H 0.05 0.24 -0.37 -0.55 8.28 7.65 2bo8C1 THR 145 HA 0.13 0.02 0.38 -0.75 4.39 4.16 2bo8C1 THR 145 HB 0.05 -0.00 -0.32 -0.04 4.32 4.01 2bo8C1 THR 145 HG23 -0.46 -0.00 -0.17 -0.04 1.22 0.54 2bo8C1 GLY 146 H -0.19 0.39 -0.39 -0.55 8.43 7.70 2bo8C1 GLY 146 HA2 -0.47 0.01 0.30 -0.51 4.01 3.35 2bo8C1 GLY 146 HA3 -0.08 0.08 0.30 -0.51 4.01 3.80 2bo8C1 PHE 147 H -0.06 0.57 -0.09 -0.55 8.34 8.21 2bo8C1 PHE 147 HA 0.55 0.02 0.34 -0.75 4.62 4.78 2bo8C1 PHE 147 HB2 0.07 0.12 0.01 -0.04 3.15 3.31 2bo8C1 PHE 147 HB3 0.18 -0.15 -0.21 -0.04 3.06 2.84 2bo8C1 PHE 147 HD2 0.29 0.09 -0.20 -0.04 7.28 7.42 2bo8C1 PHE 147 HE2 0.09 -0.02 -0.09 -0.04 7.38 7.31 2bo8C1 PHE 147 HZ 0.09 -0.02 -0.04 -0.04 7.32 7.31 2bo8C1 ALA 148 H 0.11 0.58 -0.29 -0.55 8.40 8.26 2bo8C1 ALA 148 HA 0.10 0.00 0.31 -0.75 4.34 4.00 2bo8C1 ALA 148 HB3 0.07 -0.01 0.07 -0.04 1.41 1.50 2bo8C1 LEU 149 H -0.13 0.57 -0.09 -0.55 8.37 8.18 2bo8C1 LEU 149 HA -0.08 0.06 0.34 -0.75 4.35 3.91 2bo8C1 LEU 149 HB2 -0.39 0.04 0.08 -0.04 1.64 1.32 2bo8C1 LEU 149 HB3 -0.28 -0.03 0.02 -0.04 1.64 1.31 2bo8C1 LEU 149 HG -0.46 0.07 -0.00 -0.04 1.64 1.21 2bo8C1 LEU 149 HD13 -0.89 -0.04 -0.06 -0.04 0.93 -0.10 2bo8C1 LEU 149 HD23 -0.24 0.00 0.01 -0.04 0.89 0.62 2bo8C1 LEU 150 H -0.14 0.40 -0.23 -0.55 8.37 7.86 2bo8C1 LEU 150 HA -0.47 0.18 0.79 -0.75 4.35 4.10 2bo8C1 LEU 150 HB2 -1.21 -0.05 -0.01 -0.04 1.64 0.33 2bo8C1 LEU 150 HB3 -2.01 0.06 0.01 -0.04 1.64 -0.34 2bo8C1 LEU 150 HG -0.34 -0.06 -0.11 -0.04 1.64 1.09 2bo8C1 LEU 150 HD13 -0.30 -0.04 -0.09 -0.04 0.93 0.46 2bo8C1 LEU 150 HD23 -0.34 0.04 -0.03 -0.04 0.89 0.53 2bo8C1 TRP 151 H 0.18 0.54 -0.03 -0.55 7.97 8.11 2bo8C1 TRP 151 HA 0.08 0.27 0.94 -0.75 4.62 5.16 2bo8C1 TRP 151 HB2 0.05 -0.09 0.12 -0.04 3.23 3.27 2bo8C1 TRP 151 HB3 0.04 -0.11 0.08 -0.04 3.23 3.20 2bo8C1 TRP 151 HD1 0.08 -0.01 -0.04 -0.04 7.22 7.21 2bo8C1 TRP 151 HE1 0.14 0.35 -0.17 -0.04 10.20 10.48 2bo8C1 TRP 151 HE3 0.29 -0.06 -0.05 -0.04 7.59 7.73 2bo8C1 TRP 151 HZ2 0.03 0.19 -0.09 -0.04 7.44 7.53 2bo8C1 TRP 151 HZ3 0.34 -0.11 -0.18 -0.04 7.13 7.13 2bo8C1 TRP 151 HH2 -0.11 -0.05 -0.31 -0.04 7.19 6.68 2bo8C1 PRO 152 HA 0.08 0.02 0.26 -0.51 4.44 4.30 2bo8C1 PRO 152 HB2 -0.25 -0.03 0.02 -0.04 2.28 1.97 2bo8C1 PRO 152 HB3 -0.03 0.12 0.22 -0.04 2.02 2.29 2bo8C1 PRO 152 HG2 -0.01 -0.07 0.02 -0.04 2.03 1.92 2bo8C1 PRO 152 HG3 -0.03 0.08 -0.11 -0.04 2.03 1.93 2bo8C1 PRO 152 HD2 0.04 0.24 -0.19 -0.04 3.68 3.73 2bo8C1 PRO 152 HD3 -0.03 0.24 -0.40 -0.04 3.65 3.42 2bo8C1 HIS 153 H 0.18 0.17 -0.26 -0.55 8.41 7.96 2bo8C1 HIS 153 HA 0.14 0.11 0.56 -0.75 4.63 4.68 2bo8C1 HIS 153 HB2 0.10 0.05 0.04 -0.04 3.26 3.41 2bo8C1 HIS 153 HB3 0.08 -0.05 0.16 -0.04 3.20 3.34 2bo8C1 HIS 153 HD2 0.06 0.08 -0.00 -0.04 6.97 7.06 2bo8C1 HIS 153 HE1 0.05 -0.04 -0.01 -0.04 7.75 7.70 2bo8C1 THR 154 H 0.22 0.55 -0.39 -0.55 8.28 8.11 2bo8C1 THR 154 HA 0.09 0.26 1.07 -0.75 4.39 5.06 2bo8C1 THR 154 HB -0.05 -0.09 0.06 -0.04 4.32 4.20 2bo8C1 THR 154 HG23 0.15 0.03 -0.22 -0.04 1.22 1.14 2bo8C1 GLU 155 H -0.02 0.20 0.08 -0.55 8.60 8.31 2bo8C1 GLU 155 HA 0.14 0.11 0.28 -0.75 4.29 4.07 2bo8C1 GLU 155 HB2 -0.06 0.00 0.03 -0.04 2.09 2.02 2bo8C1 GLU 155 HB3 -0.16 0.06 -0.08 -0.04 1.99 1.78 2bo8C1 GLU 155 HG2 -0.03 0.04 -0.09 -0.04 2.34 2.22 2bo8C1 GLU 155 HG3 -0.12 -0.04 -0.05 -0.04 2.34 2.10 2bo8C1 LEU 156 H -0.03 0.14 -0.50 -0.55 8.37 7.44 2bo8C1 LEU 156 HA -0.27 0.03 0.09 -0.75 4.35 3.44 2bo8C1 LEU 156 HB2 -0.14 0.11 0.02 -0.04 1.64 1.59 2bo8C1 LEU 156 HB3 -1.12 -0.03 -0.09 -0.04 1.64 0.35 2bo8C1 LEU 156 HG -0.48 -0.05 -0.05 -0.04 1.64 1.02 2bo8C1 LEU 156 HD13 -0.76 0.03 -0.06 -0.04 0.93 0.10 2bo8C1 LEU 156 HD23 -0.91 0.01 -0.07 -0.04 0.89 -0.12 2bo8C1 SER 157 H 0.17 0.29 -0.23 -0.55 8.46 8.14 2bo8C1 SER 157 HA 0.22 0.05 0.36 -0.75 4.49 4.37 2bo8C1 SER 157 HB2 0.00 0.02 0.04 -0.04 3.95 3.98 2bo8C1 SER 157 HB3 0.17 -0.01 -0.36 -0.04 3.93 3.69 2bo8C1 TRP 158 H 0.39 0.20 -0.54 -0.55 7.97 7.48 2bo8C1 TRP 158 HA 0.09 0.09 0.56 -0.75 4.62 4.62 2bo8C1 TRP 158 HB2 0.12 0.14 -0.03 -0.04 3.23 3.41 2bo8C1 TRP 158 HB3 0.15 -0.09 0.00 -0.04 3.23 3.24 2bo8C1 TRP 158 HD1 0.05 0.10 -0.06 -0.04 7.22 7.27 2bo8C1 TRP 158 HE1 0.06 0.15 -0.06 -0.04 10.20 10.30 2bo8C1 TRP 158 HE3 0.06 -0.03 -0.02 -0.04 7.59 7.56 2bo8C1 TRP 158 HZ2 0.05 0.03 -0.05 -0.04 7.44 7.43 2bo8C1 TRP 158 HZ3 0.01 -0.05 -0.03 -0.04 7.13 7.01 2bo8C1 TRP 158 HH2 0.03 -0.04 -0.04 -0.04 7.19 7.10 2bo8C1 ILE 159 H 0.10 0.38 -0.31 -0.55 8.25 7.88 2bo8C1 ILE 159 HA 0.08 -0.03 0.41 -0.75 4.18 3.89 2bo8C1 ILE 159 HB 0.02 0.26 0.06 -0.04 1.89 2.19 2bo8C1 ILE 159 HG12 -0.10 -0.04 -0.09 -0.04 1.49 1.22 2bo8C1 ILE 159 HG13 -0.20 -0.05 -0.07 -0.04 1.21 0.85 2bo8C1 ILE 159 HG23 0.01 -0.06 -0.34 -0.04 0.93 0.50 2bo8C1 ILE 159 HD13 -0.29 0.04 -0.11 -0.04 0.88 0.48 2bo8C1 GLU 160 H -0.06 0.06 0.07 -0.55 8.60 8.12 2bo8C1 GLU 160 HA -0.06 0.18 0.23 -0.75 4.29 3.89 2bo8C1 GLU 160 HB2 -0.33 -0.09 0.09 -0.04 2.09 1.72 2bo8C1 GLU 160 HB3 -0.03 -0.05 -0.10 -0.04 1.99 1.77 2bo8C1 GLU 160 HG2 -0.31 0.06 0.02 -0.04 2.34 2.08 2bo8C1 GLU 160 HG3 -0.98 -0.03 -0.04 -0.04 2.34 1.25 2bo8C1 GLN 161 H -0.02 0.09 -0.20 -0.55 8.47 7.79 2bo8C1 GLN 161 HA -0.04 0.20 0.85 -0.75 4.36 4.62 2bo8C1 GLN 161 HB2 0.12 0.07 0.12 -0.04 2.15 2.42 2bo8C1 GLN 161 HB3 0.13 -0.14 0.15 -0.04 2.02 2.12 2bo8C1 GLN 161 HG2 0.13 -0.06 0.02 -0.04 2.40 2.45 2bo8C1 GLN 161 HG3 0.11 0.23 -0.46 -0.04 2.39 2.23 2bo8C1 GLN 161 HE21 0.34 0.20 0.17 -0.04 6.97 7.64 2bo8C1 GLN 161 HE22 0.34 0.10 -0.05 -0.04 7.69 8.04 2bo8C1 PRO 162 HA 0.08 0.13 0.19 -0.51 4.44 4.33 2bo8C1 PRO 162 HB2 0.14 -0.02 -0.09 -0.04 2.28 2.27 2bo8C1 PRO 162 HB3 0.26 0.16 -0.02 -0.04 2.02 2.38 2bo8C1 PRO 162 HG2 -0.09 -0.13 -0.05 -0.04 2.03 1.72 2bo8C1 PRO 162 HG3 -0.02 0.19 -0.09 -0.04 2.03 2.06 2bo8C1 PRO 162 HD2 -0.15 0.05 0.02 -0.04 3.68 3.56 2bo8C1 PRO 162 HD3 -0.09 0.46 -0.46 -0.04 3.65 3.53 2bo8C1 LEU 163 H 0.02 0.03 -0.55 -0.55 8.37 7.32 2bo8C1 LEU 163 HA 0.04 0.21 0.74 -0.75 4.35 4.58 2bo8C1 LEU 163 HB2 0.03 -0.04 -0.05 -0.04 1.64 1.53 2bo8C1 LEU 163 HB3 0.02 -0.04 0.10 -0.04 1.64 1.68 2bo8C1 LEU 163 HG -0.04 0.01 -0.11 -0.04 1.64 1.45 2bo8C1 LEU 163 HD13 -0.06 -0.03 -0.11 -0.04 0.93 0.69 2bo8C1 LEU 163 HD23 -0.03 0.05 -0.21 -0.04 0.89 0.65 2bo8C1 GLY 164 H 0.09 0.63 -0.23 -0.55 8.43 8.37 2bo8C1 GLY 164 HA2 0.17 -0.11 0.22 -0.51 4.01 3.78 2bo8C1 GLY 164 HA3 0.16 0.17 0.34 -0.51 4.01 4.18 2bo8C1 GLY 165 H 0.18 0.04 0.17 -0.55 8.43 8.28 2bo8C1 GLY 165 HA2 0.11 0.18 0.54 -0.51 4.01 4.33 2bo8C1 GLY 165 HA3 0.15 -0.11 0.34 -0.51 4.01 3.89 2bo8C1 GLU 166 H 0.25 0.13 -0.37 -0.55 8.60 8.06 2bo8C1 GLU 166 HA 0.13 0.47 0.84 -0.75 4.29 4.98 2bo8C1 GLU 166 HB2 0.48 -0.00 0.17 -0.04 2.09 2.70 2bo8C1 GLU 166 HB3 0.45 0.07 0.08 -0.04 1.99 2.56 2bo8C1 GLU 166 HG2 0.99 0.01 -0.01 -0.04 2.34 3.29 2bo8C1 GLU 166 HG3 0.70 0.03 0.05 -0.04 2.34 3.07 2bo8C1 LEU 167 H 0.01 0.56 0.44 -0.55 8.37 8.83 2bo8C1 LEU 167 HA 0.11 0.14 0.80 -0.75 4.35 4.64 2bo8C1 LEU 167 HB2 0.02 0.03 -0.01 -0.04 1.64 1.64 2bo8C1 LEU 167 HB3 0.06 0.03 0.08 -0.04 1.64 1.78 2bo8C1 LEU 167 HG 0.10 -0.08 -0.56 -0.04 1.64 1.05 2bo8C1 LEU 167 HD13 0.09 -0.04 -0.19 -0.04 0.93 0.75 2bo8C1 LEU 167 HD23 0.06 0.01 -0.19 -0.04 0.89 0.73 2bo8C1 LEU 168 H -0.05 0.69 0.41 -0.55 8.37 8.86 2bo8C1 LEU 168 HA -0.21 0.35 1.13 -0.75 4.35 4.86 2bo8C1 LEU 168 HB2 -0.31 -0.05 -0.02 -0.04 1.64 1.22 2bo8C1 LEU 168 HB3 -0.14 -0.08 0.14 -0.04 1.64 1.52 2bo8C1 LEU 168 HG -0.56 0.10 -0.17 -0.04 1.64 0.96 2bo8C1 LEU 168 HD13 -0.36 0.01 -0.25 -0.04 0.93 0.29 2bo8C1 LEU 168 HD23 -0.09 -0.00 -0.46 -0.04 0.89 0.29 2bo8C1 MET 169 H -0.12 0.67 0.33 -0.55 8.47 8.80 2bo8C1 MET 169 HA -0.02 0.28 1.13 -0.75 4.52 5.16 2bo8C1 MET 169 HB2 -0.03 -0.07 -0.03 -0.04 2.15 1.98 2bo8C1 MET 169 HB3 -0.01 0.01 0.04 -0.04 2.03 2.03 2bo8C1 MET 169 HG2 -0.06 0.03 -0.17 -0.04 2.63 2.39 2bo8C1 MET 169 HG3 -0.01 -0.01 -0.12 -0.04 2.56 2.38 2bo8C1 MET 169 HE3 -0.55 -0.00 -0.14 -0.04 2.10 1.36 2bo8C1 ARG 170 H 0.03 0.57 0.29 -0.55 8.46 8.80 2bo8C1 ARG 170 HA 0.10 0.28 1.27 -0.75 4.34 5.23 2bo8C1 ARG 170 HB2 0.08 0.01 0.26 -0.04 1.90 2.21 2bo8C1 ARG 170 HB3 0.06 0.09 0.17 -0.04 1.80 2.08 2bo8C1 ARG 170 HG2 0.05 0.10 0.33 -0.04 1.67 2.11 2bo8C1 ARG 170 HG3 0.05 -0.19 0.05 -0.04 1.67 1.55 2bo8C1 ARG 170 HD2 0.05 0.20 0.15 -0.04 3.22 3.59 2bo8C1 ARG 170 HD3 0.04 -0.08 0.11 -0.04 3.22 3.25 2bo8C1 ARG 171 H 0.18 0.64 0.29 -0.55 8.46 9.02 2bo8C1 ARG 171 HA 0.42 0.03 0.11 -0.75 4.34 4.15 2bo8C1 ARG 171 HB2 0.10 0.13 0.11 -0.04 1.90 2.20 2bo8C1 ARG 171 HB3 0.06 -0.04 0.20 -0.04 1.80 1.97 2bo8C1 ARG 171 HG2 -0.04 -0.08 -0.18 -0.04 1.67 1.33 2bo8C1 ARG 171 HG3 -0.20 -0.03 -0.04 -0.04 1.67 1.36 2bo8C1 ARG 171 HD2 -0.08 -0.03 0.01 -0.04 3.22 3.07 2bo8C1 ARG 171 HD3 -0.14 -0.04 -0.03 -0.04 3.22 2.97 2bo8C1 GLU 172 H 0.06 0.13 -0.13 -0.55 8.60 8.12 2bo8C1 GLU 172 HA 0.04 0.07 0.23 -0.75 4.29 3.87 2bo8C1 GLU 172 HB2 0.02 0.02 0.09 -0.04 2.09 2.18 2bo8C1 GLU 172 HB3 0.02 0.02 0.10 -0.04 1.99 2.09 2bo8C1 GLU 172 HG2 0.03 0.02 -0.08 -0.04 2.34 2.27 2bo8C1 GLU 172 HG3 0.01 0.04 0.00 -0.04 2.34 2.36 2bo8C1 VAL 173 H 0.06 0.28 -0.20 -0.55 8.24 7.83 2bo8C1 VAL 173 HA 0.03 0.06 0.51 -0.75 4.13 3.97 2bo8C1 VAL 173 HB 0.03 0.11 0.19 -0.04 2.12 2.41 2bo8C1 VAL 173 HG13 -0.01 -0.01 -0.10 -0.04 0.97 0.81 2bo8C1 VAL 173 HG23 0.02 0.00 0.06 -0.04 0.95 1.00 2bo8C1 ALA 174 H 0.11 0.53 -0.12 -0.55 8.40 8.37 2bo8C1 ALA 174 HA 0.06 -0.03 0.40 -0.75 4.34 4.01 2bo8C1 ALA 174 HB3 0.27 0.03 -0.04 -0.04 1.41 1.63 2bo8C1 ALA 175 H 0.10 0.55 -0.25 -0.55 8.40 8.24 2bo8C1 ALA 175 HA 0.13 0.02 0.28 -0.75 4.34 4.00 2bo8C1 ALA 175 HB3 0.04 0.03 0.04 -0.04 1.41 1.48 2bo8C1 MET 176 H 0.06 0.49 -0.19 -0.55 8.47 8.29 2bo8C1 MET 176 HA 0.04 0.01 0.30 -0.75 4.52 4.12 2bo8C1 MET 176 HB2 0.02 0.03 0.13 -0.04 2.15 2.30 2bo8C1 MET 176 HB3 0.03 0.11 0.20 -0.04 2.03 2.32 2bo8C1 MET 176 HG2 0.02 -0.06 0.02 -0.04 2.63 2.57 2bo8C1 MET 176 HG3 0.01 0.02 0.00 -0.04 2.56 2.55 2bo8C1 MET 176 HE3 -0.01 0.01 -0.06 -0.04 2.10 2.01 2bo8C1 LEU 177 H 0.06 0.48 -0.25 -0.55 8.37 8.12 2bo8C1 LEU 177 HA 0.08 -0.01 0.34 -0.75 4.35 4.00 2bo8C1 LEU 177 HB2 0.03 0.08 0.12 -0.04 1.64 1.83 2bo8C1 LEU 177 HB3 0.12 -0.09 -0.05 -0.04 1.64 1.59 2bo8C1 LEU 177 HG 0.00 0.14 0.01 -0.04 1.64 1.76 2bo8C1 LEU 177 HD13 -0.29 -0.02 -0.09 -0.04 0.93 0.48 2bo8C1 LEU 177 HD23 0.11 -0.02 -0.06 -0.04 0.89 0.88 2bo8C1 TYR 178 H 0.23 0.69 -0.07 -0.55 8.29 8.59 2bo8C1 TYR 178 HA 0.09 -0.04 0.15 -0.75 4.56 4.02 2bo8C1 TYR 178 HB2 0.10 -0.06 0.03 -0.04 3.06 3.09 2bo8C1 TYR 178 HB3 0.07 0.12 0.03 -0.04 2.98 3.16 2bo8C1 TYR 178 HD2 0.07 -0.01 -0.10 -0.04 7.15 7.07 2bo8C1 TYR 178 HE2 0.05 -0.01 -0.08 -0.04 6.85 6.77 2bo8C1 GLU 179 H 0.09 0.38 -0.58 -0.55 8.60 7.95 2bo8C1 GLU 179 HA -0.10 0.01 0.39 -0.75 4.29 3.83 2bo8C1 GLU 179 HB2 0.05 0.37 0.10 -0.04 2.09 2.57 2bo8C1 GLU 179 HB3 0.01 -0.04 -0.12 -0.04 1.99 1.81 2bo8C1 GLU 179 HG2 0.02 -0.05 -0.03 -0.04 2.34 2.24 2bo8C1 GLU 179 HG3 -0.00 -0.07 0.04 -0.04 2.34 2.27 2bo8C1 ASP 180 H 0.01 0.43 -0.29 -0.55 8.40 8.00 2bo8C1 ASP 180 HA -0.01 0.01 0.48 -0.75 4.63 4.36 2bo8C1 ASP 180 HB2 0.03 0.20 0.14 -0.04 2.71 3.05 2bo8C1 ASP 180 HB3 0.04 0.01 0.23 -0.04 2.70 2.94 2bo8C1 GLU 181 H -0.02 0.21 0.22 -0.55 8.60 8.47 2bo8C1 GLU 181 HA -0.05 0.12 0.40 -0.75 4.29 4.00 2bo8C1 GLU 181 HB2 -0.03 0.03 0.09 -0.04 2.09 2.13 2bo8C1 GLU 181 HB3 -0.03 0.09 0.18 -0.04 1.99 2.19 2bo8C1 GLU 181 HG2 -0.01 0.03 0.01 -0.04 2.34 2.34 2bo8C1 GLU 181 HG3 -0.01 -0.02 -0.19 -0.04 2.34 2.08 2bo8C1 ARG 182 H 0.00 0.13 -0.23 -0.55 8.46 7.80 2bo8C1 ARG 182 HA -0.01 0.08 0.29 -0.75 4.34 3.95 2bo8C1 ARG 182 HB2 0.02 -0.01 0.01 -0.04 1.90 1.88 2bo8C1 ARG 182 HB3 -0.01 0.02 -0.09 -0.04 1.80 1.68 2bo8C1 ARG 182 HG2 -0.02 0.08 -0.02 -0.04 1.67 1.67 2bo8C1 ARG 182 HG3 -0.00 -0.02 -0.00 -0.04 1.67 1.60 2bo8C1 ARG 182 HD2 0.02 0.01 0.00 -0.04 3.22 3.21 2bo8C1 ARG 182 HD3 0.03 -0.07 0.01 -0.04 3.22 3.15 2bo8C1 VAL 183 H 0.02 0.27 -0.37 -0.55 8.24 7.60 2bo8C1 VAL 183 HA 0.00 0.03 0.34 -0.75 4.13 3.75 2bo8C1 VAL 183 HB 0.10 -0.09 -0.09 -0.04 2.12 1.99 2bo8C1 VAL 183 HG13 0.10 0.02 -0.00 -0.04 0.97 1.05 2bo8C1 VAL 183 HG23 0.22 0.02 -0.26 -0.04 0.95 0.89 2bo8C1 ARG 184 H -0.01 0.65 -0.01 -0.55 8.46 8.54 2bo8C1 ARG 184 HA 0.01 -0.03 0.25 -0.75 4.34 3.82 2bo8C1 ARG 184 HB2 -0.12 0.24 -0.04 -0.04 1.90 1.94 2bo8C1 ARG 184 HB3 -0.06 -0.01 0.03 -0.04 1.80 1.71 2bo8C1 ARG 184 HG2 -0.13 -0.01 -0.07 -0.04 1.67 1.42 2bo8C1 ARG 184 HG3 -0.05 0.07 -0.27 -0.04 1.67 1.38 2bo8C1 ARG 184 HD2 -0.04 -0.11 -0.06 -0.04 3.22 2.97 2bo8C1 ARG 184 HD3 -0.05 -0.10 -0.01 -0.04 3.22 3.02 2bo8C1 ARG 185 H -0.02 0.55 -0.41 -0.55 8.46 8.03 2bo8C1 ARG 185 HA -0.02 0.01 0.68 -0.75 4.34 4.26 2bo8C1 ARG 185 HB2 -0.02 -0.16 0.11 -0.04 1.90 1.79 2bo8C1 ARG 185 HB3 -0.02 0.16 0.08 -0.04 1.80 1.98 2bo8C1 ARG 185 HG2 -0.02 0.22 0.02 -0.04 1.67 1.85 2bo8C1 ARG 185 HG3 -0.02 -0.11 -0.29 -0.04 1.67 1.21 2bo8C1 ARG 185 HD2 -0.02 -0.10 -0.06 -0.04 3.22 3.00 2bo8C1 ARG 185 HD3 -0.02 0.03 -0.04 -0.04 3.22 3.15 2bo8C1 ARG 186 H -0.03 0.60 -0.47 -0.55 8.46 8.01 2bo8C1 ARG 186 HA -0.03 -0.03 0.47 -0.75 4.34 3.99 2bo8C1 ARG 186 HB2 -0.05 0.28 0.13 -0.04 1.90 2.23 2bo8C1 ARG 186 HB3 -0.09 -0.06 0.12 -0.04 1.80 1.73 2bo8C1 ARG 186 HG2 -0.06 0.06 -0.32 -0.04 1.67 1.31 2bo8C1 ARG 186 HG3 -0.04 -0.32 -0.11 -0.04 1.67 1.16 2bo8C1 ARG 186 HD2 -0.03 0.04 -0.08 -0.04 3.22 3.10 2bo8C1 ARG 186 HD3 -0.04 0.15 -0.05 -0.04 3.22 3.24 2bo8C1 SER 187 H -0.03 0.49 0.04 -0.55 8.46 8.41 2bo8C1 SER 187 HA -0.05 0.08 0.25 -0.75 4.49 4.01 2bo8C1 SER 187 HB2 -0.04 -0.11 0.06 -0.04 3.95 3.82 2bo8C1 SER 187 HB3 -0.03 -0.01 0.02 -0.04 3.93 3.88 2bo8C1 ASP 188 H -0.06 0.06 -0.55 -0.55 8.40 7.30 2bo8C1 ASP 188 HA -0.19 0.17 0.47 -0.75 4.63 4.32 2bo8C1 ASP 188 HB2 -0.04 -0.09 0.17 -0.04 2.71 2.71 2bo8C1 ASP 188 HB3 -0.04 0.16 0.04 -0.04 2.70 2.82 2bo8C1 TRP 189 H 0.06 0.20 0.12 -0.55 7.97 7.81 2bo8C1 TRP 189 HA -0.05 0.11 0.67 -0.75 4.62 4.60 2bo8C1 TRP 189 HB2 -0.05 0.00 0.06 -0.04 3.23 3.21 2bo8C1 TRP 189 HB3 -0.05 0.09 0.05 -0.04 3.23 3.28 2bo8C1 TRP 189 HD1 -0.04 0.03 -0.18 -0.04 7.22 7.00 2bo8C1 TRP 189 HE1 -0.03 0.02 -0.03 -0.04 10.20 10.12 2bo8C1 TRP 189 HE3 -0.02 0.03 0.11 -0.04 7.59 7.67 2bo8C1 TRP 189 HZ2 0.00 0.03 0.02 -0.04 7.44 7.45 2bo8C1 TRP 189 HZ3 0.02 0.05 0.04 -0.04 7.13 7.19 2bo8C1 TRP 189 HH2 0.03 0.01 0.03 -0.04 7.19 7.22 2bo8C1 GLY 190 H 0.07 0.02 -0.28 -0.55 8.43 7.69 2bo8C1 GLY 190 HA2 0.03 0.10 0.30 -0.51 4.01 3.93 2bo8C1 GLY 190 HA3 0.00 0.12 0.20 -0.51 4.01 3.82 2bo8C1 ILE 191 H -0.05 0.12 -0.69 -0.55 8.25 7.08 2bo8C1 ILE 191 HA -0.23 0.12 0.23 -0.75 4.18 3.55 2bo8C1 ILE 191 HB -0.18 0.14 0.08 -0.04 1.89 1.89 2bo8C1 ILE 191 HG12 -0.37 -0.02 -0.06 -0.04 1.49 1.00 2bo8C1 ILE 191 HG13 -1.15 -0.02 -0.22 -0.04 1.21 -0.21 2bo8C1 ILE 191 HG23 -0.15 -0.00 -0.14 -0.04 0.93 0.60 2bo8C1 ILE 191 HD13 -0.29 0.03 -0.05 -0.04 0.88 0.52 2bo8C1 ASP 192 H -0.05 0.16 -0.23 -0.55 8.40 7.73 2bo8C1 ASP 192 HA -0.13 0.07 0.18 -0.75 4.63 4.01 2bo8C1 ASP 192 HB2 0.04 -0.06 0.02 -0.04 2.71 2.66 2bo8C1 ASP 192 HB3 0.05 0.14 -0.19 -0.04 2.70 2.66 2bo8C1 THR 193 H -0.00 0.05 -0.20 -0.55 8.28 7.58 2bo8C1 THR 193 HA 0.12 0.12 0.45 -0.75 4.39 4.33 2bo8C1 THR 193 HB -0.00 0.13 0.10 -0.04 4.32 4.50 2bo8C1 THR 193 HG23 0.04 0.01 -0.14 -0.04 1.22 1.09 2bo8C1 LEU 194 H -0.04 0.44 -0.19 -0.55 8.37 8.03 2bo8C1 LEU 194 HA 0.09 0.04 0.40 -0.75 4.35 4.12 2bo8C1 LEU 194 HB2 -0.09 0.07 0.09 -0.04 1.64 1.67 2bo8C1 LEU 194 HB3 0.01 -0.04 -0.06 -0.04 1.64 1.52 2bo8C1 LEU 194 HG -0.04 0.04 -0.08 -0.04 1.64 1.52 2bo8C1 LEU 194 HD13 -0.01 -0.01 -0.16 -0.04 0.93 0.71 2bo8C1 LEU 194 HD23 -0.05 0.01 -0.11 -0.04 0.89 0.70 2bo8C1 TYR 195 H -0.09 0.55 -0.08 -0.55 8.29 8.13 2bo8C1 TYR 195 HA 0.02 -0.02 0.28 -0.75 4.56 4.08 2bo8C1 TYR 195 HB2 -0.01 0.12 0.04 -0.04 3.06 3.17 2bo8C1 TYR 195 HB3 -0.01 -0.02 -0.09 -0.04 2.98 2.82 2bo8C1 TYR 195 HD2 -0.06 -0.00 -0.14 -0.04 7.15 6.90 2bo8C1 TYR 195 HE2 -0.22 -0.01 -0.16 -0.04 6.85 6.41 2bo8C1 THR 196 H 0.15 0.42 -0.42 -0.55 8.28 7.88 2bo8C1 THR 196 HA 0.04 -0.00 0.30 -0.75 4.39 3.97 2bo8C1 THR 196 HB 0.21 0.10 0.21 -0.04 4.32 4.81 2bo8C1 THR 196 HG23 0.06 -0.04 -0.11 -0.04 1.22 1.10 2bo8C1 PHE 197 H 0.21 0.65 -0.03 -0.55 8.34 8.62 2bo8C1 PHE 197 HA -0.35 0.01 0.18 -0.75 4.62 3.72 2bo8C1 PHE 197 HB2 -0.02 0.01 0.04 -0.04 3.15 3.14 2bo8C1 PHE 197 HB3 -0.07 -0.01 0.12 -0.04 3.06 3.05 2bo8C1 PHE 197 HD2 -0.41 -0.04 -0.14 -0.04 7.28 6.64 2bo8C1 PHE 197 HE2 -1.38 0.02 -0.08 -0.04 7.38 5.90 2bo8C1 PHE 197 HZ -0.64 0.09 -0.10 -0.04 7.32 6.63 2bo8C1 VAL 198 H 0.13 0.61 -0.07 -0.55 8.24 8.36 2bo8C1 VAL 198 HA -0.15 0.08 0.17 -0.75 4.13 3.49 2bo8C1 VAL 198 HB 0.07 -0.00 0.03 -0.04 2.12 2.17 2bo8C1 VAL 198 HG13 0.18 0.07 0.01 -0.04 0.97 1.19 2bo8C1 VAL 198 HG23 0.04 -0.01 -0.15 -0.04 0.95 0.80 2bo8C1 THR 199 H -0.02 0.41 -0.19 -0.55 8.28 7.94 2bo8C1 THR 199 HA -0.05 -0.02 0.35 -0.75 4.39 3.91 2bo8C1 THR 199 HB -0.04 -0.08 -0.03 -0.04 4.32 4.13 2bo8C1 THR 199 HG23 -0.02 -0.01 0.02 -0.04 1.22 1.18 2bo8C1 VAL 200 H -0.23 0.50 -0.28 -0.55 8.24 7.69 2bo8C1 VAL 200 HA -0.19 0.10 0.41 -0.75 4.13 3.69 2bo8C1 VAL 200 HB -0.50 0.16 0.10 -0.04 2.12 1.83 2bo8C1 VAL 200 HG13 -0.30 -0.03 -0.13 -0.04 0.97 0.47 2bo8C1 VAL 200 HG23 -0.26 0.03 -0.04 -0.04 0.95 0.64 2bo8C1 GLN 201 H -0.44 0.44 -0.14 -0.55 8.47 7.78 2bo8C1 GLN 201 HA -0.36 0.01 0.26 -0.75 4.36 3.51 2bo8C1 GLN 201 HB2 -0.94 0.04 0.07 -0.04 2.15 1.28 2bo8C1 GLN 201 HB3 -0.30 -0.01 0.12 -0.04 2.02 1.79 2bo8C1 GLN 201 HG2 -0.14 -0.06 0.01 -0.04 2.40 2.16 2bo8C1 GLN 201 HG3 -0.27 0.03 0.16 -0.04 2.39 2.27 2bo8C1 GLN 201 HE21 0.15 -0.19 0.10 -0.04 6.97 6.99 2bo8C1 GLN 201 HE22 0.01 0.89 0.34 -0.04 7.69 8.89 2bo8C1 GLN 202 H -0.14 0.58 -0.17 -0.55 8.47 8.19 2bo8C1 GLN 202 HA -0.07 0.06 0.73 -0.75 4.36 4.33 2bo8C1 GLN 202 HB2 -0.06 0.03 0.03 -0.04 2.15 2.11 2bo8C1 GLN 202 HB3 -0.04 -0.07 0.16 -0.04 2.02 2.03 2bo8C1 GLN 202 HG2 -0.06 0.09 0.01 -0.04 2.40 2.39 2bo8C1 GLN 202 HG3 -0.02 -0.09 -0.07 -0.04 2.39 2.16 2bo8C1 GLN 202 HE21 -0.01 -0.04 0.01 -0.04 6.97 6.89 2bo8C1 GLN 202 HE22 -0.02 -0.01 0.03 -0.04 7.69 7.66 2bo8C1 GLY 203 H -0.12 0.52 -0.50 -0.55 8.43 7.78 2bo8C1 GLY 203 HA2 -0.07 0.06 0.36 -0.51 4.01 3.85 2bo8C1 GLY 203 HA3 -0.05 -0.02 0.34 -0.51 4.01 3.77 2bo8C1 VAL 204 H -0.06 0.41 -0.19 -0.55 8.24 7.85 2bo8C1 VAL 204 HA -0.01 -0.01 0.58 -0.75 4.13 3.93 2bo8C1 VAL 204 HB -0.03 0.02 -0.04 -0.04 2.12 2.03 2bo8C1 VAL 204 HG13 0.02 -0.02 -0.17 -0.04 0.97 0.77 2bo8C1 VAL 204 HG23 -0.02 -0.00 0.01 -0.04 0.95 0.90 2bo8C1 SER 205 H 0.04 0.04 0.20 -0.55 8.46 8.19 2bo8C1 SER 205 HA 0.08 0.44 0.88 -0.75 4.49 5.15 2bo8C1 SER 205 HB2 0.10 -0.01 -0.03 -0.04 3.95 3.97 2bo8C1 SER 205 HB3 0.03 0.06 0.05 -0.04 3.93 4.02 2bo8C1 ILE 206 H 0.18 0.69 0.34 -0.55 8.25 8.92 2bo8C1 ILE 206 HA 0.13 0.24 1.02 -0.75 4.18 4.81 2bo8C1 ILE 206 HB 0.07 0.00 0.14 -0.04 1.89 2.07 2bo8C1 ILE 206 HG12 -0.00 -0.07 -0.24 -0.04 1.49 1.14 2bo8C1 ILE 206 HG13 0.02 0.07 -0.49 -0.04 1.21 0.77 2bo8C1 ILE 206 HG23 0.01 -0.04 -0.29 -0.04 0.93 0.58 2bo8C1 ILE 206 HD13 -0.13 -0.00 -0.13 -0.04 0.88 0.58 2bo8C1 TYR 207 H -0.01 0.62 0.43 -0.55 8.29 8.78 2bo8C1 TYR 207 HA -0.34 0.29 1.04 -0.75 4.56 4.80 2bo8C1 TYR 207 HB2 -2.19 0.01 -0.02 -0.04 3.06 0.82 2bo8C1 TYR 207 HB3 -0.59 -0.04 0.14 -0.04 2.98 2.44 2bo8C1 TYR 207 HD2 -0.38 -0.03 -0.14 -0.04 7.15 6.55 2bo8C1 TYR 207 HE2 -0.13 -0.05 -0.14 -0.04 6.85 6.49 2bo8C1 GLU 208 H -0.63 0.65 0.40 -0.55 8.60 8.48 2bo8C1 GLU 208 HA -0.17 0.29 1.08 -0.75 4.29 4.73 2bo8C1 GLU 208 HB2 -0.35 -0.04 0.25 -0.04 2.09 1.92 2bo8C1 GLU 208 HB3 -0.28 -0.00 0.02 -0.04 1.99 1.68 2bo8C1 GLU 208 HG2 -0.08 0.03 -0.03 -0.04 2.34 2.22 2bo8C1 GLU 208 HG3 -0.02 0.07 -0.15 -0.04 2.34 2.20 2bo8C1 CYS 209 H -0.11 0.79 0.25 -0.55 8.50 8.89 2bo8C1 CYS 209 HA 0.01 0.04 0.61 -0.75 4.58 4.48 2bo8C1 CYS 209 HB2 -0.16 0.13 -0.05 -0.04 2.97 2.85 2bo8C1 CYS 209 HB3 -0.10 -0.13 0.02 -0.04 2.97 2.71 2bo8C1 TYR 210 H 0.09 0.14 0.13 -0.55 8.29 8.10 2bo8C1 TYR 210 HA -0.71 0.26 0.85 -0.75 4.56 4.22 2bo8C1 TYR 210 HB2 -0.22 0.10 -0.17 -0.04 3.06 2.74 2bo8C1 TYR 210 HB3 -0.11 -0.02 0.04 -0.04 2.98 2.84 2bo8C1 TYR 210 HD2 -0.88 0.02 -0.16 -0.04 7.15 6.09 2bo8C1 TYR 210 HE2 -0.28 -0.01 -0.13 -0.04 6.85 6.39 2bo8C1 ILE 211 H -0.94 0.68 0.29 -0.55 8.25 7.73 2bo8C1 ILE 211 HA -0.48 0.22 1.01 -0.75 4.18 4.18 2bo8C1 ILE 211 HB -0.85 0.04 0.03 -0.04 1.89 1.07 2bo8C1 ILE 211 HG12 -1.67 -0.05 -0.08 -0.04 1.49 -0.35 2bo8C1 ILE 211 HG13 -0.62 0.03 -0.04 -0.04 1.21 0.54 2bo8C1 ILE 211 HG23 -0.66 -0.06 -0.17 -0.04 0.93 -0.01 2bo8C1 ILE 211 HD13 -0.21 0.01 -0.32 -0.04 0.88 0.31 2bo8C1 PRO 212 HA -0.64 0.10 0.13 -0.51 4.44 3.52 2bo8C1 PRO 212 HB2 -0.16 0.03 -0.02 -0.04 2.28 2.08 2bo8C1 PRO 212 HB3 -0.47 0.03 0.05 -0.04 2.02 1.59 2bo8C1 PRO 212 HG2 -0.13 0.00 0.09 -0.04 2.03 1.96 2bo8C1 PRO 212 HG3 -0.23 0.08 0.08 -0.04 2.03 1.92 2bo8C1 PRO 212 HD2 -0.23 0.03 0.17 -0.04 3.68 3.61 2bo8C1 PRO 212 HD3 -0.27 0.39 0.26 -0.04 3.65 3.99 2bo8C1 GLU 213 H -0.11 0.12 -0.07 -0.55 8.60 8.00 2bo8C1 GLU 213 HA 0.03 0.05 0.40 -0.75 4.29 4.01 2bo8C1 GLU 213 HB2 0.11 -0.02 0.13 -0.04 2.09 2.28 2bo8C1 GLU 213 HB3 0.06 -0.04 0.09 -0.04 1.99 2.06 2bo8C1 GLU 213 HG2 0.23 0.21 -0.25 -0.04 2.34 2.49 2bo8C1 GLU 213 HG3 0.22 0.04 -0.01 -0.04 2.34 2.55 2bo8C1 GLY 214 H -0.07 0.19 -0.63 -0.55 8.43 7.37 2bo8C1 GLY 214 HA2 0.11 0.06 0.27 -0.51 4.01 3.94 2bo8C1 GLY 214 HA3 0.04 0.07 0.21 -0.51 4.01 3.82 2bo8C1 LYS 215 H -0.17 0.23 0.05 -0.55 8.42 7.97 2bo8C1 LYS 215 HA 0.01 0.10 0.73 -0.75 4.32 4.40 2bo8C1 LYS 215 HB2 -2.33 0.04 -0.07 -0.04 1.87 -0.54 2bo8C1 LYS 215 HB3 -0.59 0.03 0.13 -0.04 1.79 1.31 2bo8C1 LYS 215 HG2 0.09 -0.03 -0.30 -0.04 1.46 1.19 2bo8C1 LYS 215 HG3 -0.03 -0.01 -0.12 -0.04 1.46 1.26 2bo8C1 LYS 215 HD2 -0.09 0.03 -0.04 -0.04 1.69 1.55 2bo8C1 LYS 215 HD3 -0.12 0.02 -0.03 -0.04 1.68 1.52 2bo8C1 LYS 215 HE2 -0.56 -0.01 -0.09 -0.04 2.99 2.28 2bo8C1 LYS 215 HE3 0.00 -0.03 -0.07 -0.04 2.99 2.86 2bo8C1 ALA 216 H 0.11 0.16 0.02 -0.55 8.40 8.14 2bo8C1 ALA 216 HA 0.02 0.16 0.68 -0.75 4.34 4.45 2bo8C1 ALA 216 HB3 0.05 0.02 0.00 -0.04 1.41 1.44 2bo8C1 HIS 217 H -0.17 0.30 0.16 -0.55 8.41 8.16 2bo8C1 HIS 217 HA 0.00 0.35 0.72 -0.75 4.63 4.94 2bo8C1 HIS 217 HB2 0.03 -0.15 -0.03 -0.04 3.26 3.07 2bo8C1 HIS 217 HB3 0.02 -0.06 -0.39 -0.04 3.20 2.73 2bo8C1 HIS 217 HD2 -0.02 -0.06 -0.04 -0.04 6.97 6.80 2bo8C1 HIS 217 HE1 0.06 -0.04 0.00 -0.04 7.75 7.74 2bo8C1 ARG 218 H 0.17 0.05 0.12 -0.55 8.46 8.25 2bo8C1 ARG 218 HA -0.04 0.01 0.37 -0.75 4.34 3.92 2bo8C1 ARG 218 HB2 0.11 -0.05 0.20 -0.04 1.90 2.12 2bo8C1 ARG 218 HB3 0.09 -0.01 0.10 -0.04 1.80 1.93 2bo8C1 ARG 218 HG2 0.05 0.06 0.01 -0.04 1.67 1.76 2bo8C1 ARG 218 HG3 0.04 0.00 0.11 -0.04 1.67 1.78 2bo8C1 ARG 218 HD2 0.07 0.01 0.07 -0.04 3.22 3.33 2bo8C1 ARG 218 HD3 0.07 -0.02 0.09 -0.04 3.22 3.31 2bo8C1 LEU 219 H -0.13 0.06 0.20 -0.55 8.37 7.96 2bo8C1 LEU 219 HA -0.53 0.17 0.74 -0.75 4.35 3.98 2bo8C1 LEU 219 HB2 -0.09 -0.04 0.06 -0.04 1.64 1.53 2bo8C1 LEU 219 HB3 -0.11 0.05 0.10 -0.04 1.64 1.64 2bo8C1 LEU 219 HG -0.16 0.02 0.04 -0.04 1.64 1.49 2bo8C1 LEU 219 HD13 -0.06 -0.00 0.00 -0.04 0.93 0.83 2bo8C1 LEU 219 HD23 -0.21 0.01 -0.02 -0.04 0.89 0.63 2bo8C1 TYR 220 H -0.13 0.22 0.17 -0.55 8.29 8.00 2bo8C1 TYR 220 HA 0.06 0.11 0.77 -0.75 4.56 4.75 2bo8C1 TYR 220 HB2 0.11 0.21 0.06 -0.04 3.06 3.40 2bo8C1 TYR 220 HB3 0.09 -0.06 -0.07 -0.04 2.98 2.90 2bo8C1 TYR 220 HD2 0.08 0.09 -0.02 -0.04 7.15 7.26 2bo8C1 TYR 220 HE2 0.09 -0.06 0.00 -0.04 6.85 6.85 2bo8C1 GLY 221 H 0.19 0.09 0.11 -0.55 8.43 8.27 2bo8C1 GLY 221 HA2 0.11 0.16 0.65 -0.51 4.01 4.42 2bo8C1 GLY 221 HA3 0.11 -0.03 0.43 -0.51 4.01 4.00 2bo8C1 GLY 222 H 0.11 0.13 0.15 -0.55 8.43 8.28 2bo8C1 GLY 222 HA2 0.17 0.14 0.73 -0.51 4.01 4.55 2bo8C1 GLY 222 HA3 0.13 0.08 0.31 -0.51 4.01 4.01 2bo8C1 LEU 223 H 0.09 0.22 0.11 -0.55 8.37 8.24 2bo8C1 LEU 223 HA 0.06 0.11 0.35 -0.75 4.35 4.12 2bo8C1 LEU 223 HB2 -0.09 0.01 0.13 -0.04 1.64 1.64 2bo8C1 LEU 223 HB3 0.18 0.07 -0.08 -0.04 1.64 1.77 2bo8C1 LEU 223 HG -0.32 -0.01 0.01 -0.04 1.64 1.27 2bo8C1 LEU 223 HD13 -0.72 0.01 -0.04 -0.04 0.93 0.14 2bo8C1 LEU 223 HD23 -0.83 0.02 -0.00 -0.04 0.89 0.04 2bo8C1 ASP 224 H 0.21 0.07 -0.57 -0.55 8.40 7.56 2bo8C1 ASP 224 HA 0.02 0.13 0.32 -0.75 4.63 4.36 2bo8C1 ASP 224 HB2 -0.34 0.03 0.13 -0.04 2.71 2.49 2bo8C1 ASP 224 HB3 0.15 0.09 0.01 -0.04 2.70 2.90 2bo8C1 ASP 225 H 0.07 0.44 -0.30 -0.55 8.40 8.06 2bo8C1 ASP 225 HA -0.01 0.21 1.01 -0.75 4.63 5.09 2bo8C1 ASP 225 HB2 0.09 0.02 0.22 -0.04 2.71 2.99 2bo8C1 ASP 225 HB3 0.06 0.03 0.11 -0.04 2.70 2.85 2bo8C1 LEU 226 H 0.00 0.44 -0.25 -0.55 8.37 8.02 2bo8C1 LEU 226 HA -0.24 0.15 0.82 -0.75 4.35 4.32 2bo8C1 LEU 226 HB2 0.02 0.31 0.14 -0.04 1.64 2.06 2bo8C1 LEU 226 HB3 -0.25 -0.09 0.13 -0.04 1.64 1.40 2bo8C1 LEU 226 HG -0.62 0.00 -0.18 -0.04 1.64 0.80 2bo8C1 LEU 226 HD13 -0.38 -0.01 0.01 -0.04 0.93 0.52 2bo8C1 LEU 226 HD23 -0.55 0.02 0.05 -0.04 0.89 0.36 2bo8C1 ARG 227 H -0.13 0.32 -0.27 -0.55 8.46 7.82 2bo8C1 ARG 227 HA -0.12 0.11 0.08 -0.75 4.34 3.65 2bo8C1 ARG 227 HB2 -0.58 0.01 0.14 -0.04 1.90 1.43 2bo8C1 ARG 227 HB3 -0.26 0.03 0.13 -0.04 1.80 1.66 2bo8C1 ARG 227 HG2 -0.21 -0.03 -0.20 -0.04 1.67 1.18 2bo8C1 ARG 227 HG3 -0.50 0.03 -0.01 -0.04 1.67 1.15 2bo8C1 ARG 227 HD2 -0.92 0.01 0.02 -0.04 3.22 2.28 2bo8C1 ARG 227 HD3 -0.34 -0.00 -0.02 -0.04 3.22 2.81 2bo8C1 THR 228 H -0.07 0.17 -0.06 -0.55 8.28 7.77 2bo8C1 THR 228 HA 0.02 0.13 0.58 -0.75 4.39 4.36 2bo8C1 THR 228 HB 0.17 -0.02 0.06 -0.04 4.32 4.49 2bo8C1 THR 228 HG23 0.22 0.00 -0.06 -0.04 1.22 1.34 2bo8C1 MET 229 H -0.22 0.12 -0.29 -0.55 8.47 7.53 2bo8C1 MET 229 HA -0.37 -0.05 0.31 -0.75 4.52 3.66 2bo8C1 MET 229 HB2 -1.18 -0.02 0.08 -0.04 2.15 0.99 2bo8C1 MET 229 HB3 -0.54 0.16 0.08 -0.04 2.03 1.69 2bo8C1 MET 229 HG2 -0.45 0.02 -0.11 -0.04 2.63 2.03 2bo8C1 MET 229 HG3 -0.98 -0.05 0.06 -0.04 2.56 1.55 2bo8C1 MET 229 HE3 -1.40 0.00 0.04 -0.04 2.10 0.70 2bo8C1 LEU 230 H -0.28 0.51 -0.26 -0.55 8.37 7.79 2bo8C1 LEU 230 HA -0.42 -0.01 0.32 -0.75 4.35 3.49 2bo8C1 LEU 230 HB2 -0.89 -0.05 -0.01 -0.04 1.64 0.65 2bo8C1 LEU 230 HB3 -0.31 0.07 0.08 -0.04 1.64 1.44 2bo8C1 LEU 230 HG -0.33 0.03 -0.47 -0.04 1.64 0.83 2bo8C1 LEU 230 HD13 -1.28 -0.01 -0.07 -0.04 0.93 -0.47 2bo8C1 LEU 230 HD23 -0.13 0.02 -0.17 -0.04 0.89 0.57 2bo8C1 VAL 231 H -0.08 0.52 -0.07 -0.55 8.24 8.06 2bo8C1 VAL 231 HA -0.06 0.10 0.32 -0.75 4.13 3.73 2bo8C1 VAL 231 HB 0.28 -0.03 0.05 -0.04 2.12 2.38 2bo8C1 VAL 231 HG13 0.09 0.05 0.05 -0.04 0.97 1.12 2bo8C1 VAL 231 HG23 0.08 0.02 0.08 -0.04 0.95 1.09 2bo8C1 GLU 232 H 0.04 0.62 -0.12 -0.55 8.60 8.59 2bo8C1 GLU 232 HA 0.08 0.07 0.44 -0.75 4.29 4.13 2bo8C1 GLU 232 HB2 0.20 0.07 0.11 -0.04 2.09 2.43 2bo8C1 GLU 232 HB3 0.13 -0.20 0.06 -0.04 1.99 1.94 2bo8C1 GLU 232 HG2 0.10 0.03 0.04 -0.04 2.34 2.47 2bo8C1 GLU 232 HG3 0.13 0.16 0.08 -0.04 2.34 2.67 2bo8C1 CYS 233 H -0.04 0.71 -0.09 -0.55 8.50 8.53 2bo8C1 CYS 233 HA -0.03 -0.03 0.38 -0.75 4.58 4.14 2bo8C1 CYS 233 HB2 -0.13 0.12 0.09 -0.04 2.97 3.00 2bo8C1 CYS 233 HB3 -0.09 -0.02 -0.04 -0.04 2.97 2.78 2bo8C1 PHE 234 H -0.00 0.50 -0.28 -0.55 8.34 8.00 2bo8C1 PHE 234 HA -0.19 0.09 0.54 -0.75 4.62 4.31 2bo8C1 PHE 234 HB2 -0.32 -0.01 0.07 -0.04 3.15 2.85 2bo8C1 PHE 234 HB3 -0.44 0.04 0.12 -0.04 3.06 2.74 2bo8C1 PHE 234 HD2 -0.65 -0.01 -0.12 -0.04 7.28 6.46 2bo8C1 PHE 234 HE2 -0.96 0.09 -0.10 -0.04 7.38 6.38 2bo8C1 PHE 234 HZ -0.49 0.04 -0.25 -0.04 7.32 6.58 2bo8C1 ALA 235 H 0.01 0.57 -0.06 -0.55 8.40 8.37 2bo8C1 ALA 235 HA -0.06 0.07 0.29 -0.75 4.34 3.89 2bo8C1 ALA 235 HB3 0.10 0.00 0.13 -0.04 1.41 1.60 2bo8C1 ALA 236 H -0.11 0.29 -0.53 -0.55 8.40 7.51 2bo8C1 ALA 236 HA -0.09 0.02 0.31 -0.75 4.34 3.83 2bo8C1 ALA 236 HB3 -0.06 -0.00 0.07 -0.04 1.41 1.38 2bo8C1 ILE 237 H -0.22 0.33 -0.03 -0.55 8.25 7.79 2bo8C1 ILE 237 HA -0.05 0.02 0.40 -0.75 4.18 3.80 2bo8C1 ILE 237 HB -0.31 0.05 0.18 -0.04 1.89 1.76 2bo8C1 ILE 237 HG12 -0.11 0.01 0.03 -0.04 1.49 1.37 2bo8C1 ILE 237 HG13 0.04 0.00 0.00 -0.04 1.21 1.22 2bo8C1 ILE 237 HG23 -0.04 0.01 -0.13 -0.04 0.93 0.73 2bo8C1 ILE 237 HD13 -0.28 -0.04 -0.00 -0.04 0.88 0.52 2bo8C1 GLN 238 H -0.55 0.51 -0.28 -0.55 8.47 7.61 2bo8C1 GLN 238 HA -0.33 0.05 0.22 -0.75 4.36 3.54 2bo8C1 GLN 238 HB2 -0.76 -0.06 0.03 -0.04 2.15 1.32 2bo8C1 GLN 238 HB3 -0.26 0.03 0.11 -0.04 2.02 1.86 2bo8C1 GLN 238 HG2 -0.12 -0.04 -0.09 -0.04 2.40 2.11 2bo8C1 GLN 238 HG3 -0.16 0.14 0.14 -0.04 2.39 2.47 2bo8C1 GLN 238 HE21 0.12 0.39 0.07 -0.04 6.97 7.50 2bo8C1 GLN 238 HE22 0.01 0.37 0.05 -0.04 7.69 8.07 2bo8C1 SER 239 H -0.16 0.52 -0.13 -0.55 8.46 8.15 2bo8C1 SER 239 HA -0.07 0.01 0.44 -0.75 4.49 4.13 2bo8C1 SER 239 HB2 -0.05 -0.10 0.11 -0.04 3.95 3.86 2bo8C1 SER 239 HB3 -0.08 0.11 0.17 -0.04 3.93 4.10 2bo8C1 LEU 240 H -0.12 0.47 -0.35 -0.55 8.37 7.82 2bo8C1 LEU 240 HA -0.12 0.06 0.76 -0.75 4.35 4.30 2bo8C1 LEU 240 HB2 -0.17 0.14 0.05 -0.04 1.64 1.62 2bo8C1 LEU 240 HB3 -0.76 -0.05 0.11 -0.04 1.64 0.90 2bo8C1 LEU 240 HG -0.25 0.01 -0.10 -0.04 1.64 1.26 2bo8C1 LEU 240 HD13 -0.54 -0.03 -0.15 -0.04 0.93 0.17 2bo8C1 LEU 240 HD23 -0.64 -0.02 -0.04 -0.04 0.89 0.15 2bo8C1 GLN 241 H -0.11 0.50 -0.30 -0.55 8.47 8.01 2bo8C1 GLN 241 HA -0.04 0.04 0.05 -0.75 4.36 3.66 2bo8C1 GLN 241 HB2 -0.31 -0.04 0.11 -0.04 2.15 1.87 2bo8C1 GLN 241 HB3 -0.23 0.03 0.17 -0.04 2.02 1.95 2bo8C1 GLN 241 HG2 -0.45 0.07 0.08 -0.04 2.40 2.06 2bo8C1 GLN 241 HG3 -1.10 -0.03 -0.21 -0.04 2.39 1.00 2bo8C1 GLN 241 HE21 -0.14 0.29 0.08 -0.04 6.97 7.17 2bo8C1 GLN 241 HE22 -0.17 0.08 0.09 -0.04 7.69 7.65 2bo8C1 HIS 242 H 0.01 0.04 -0.39 -0.55 8.41 7.52 2bo8C1 HIS 242 HA 0.06 0.25 0.88 -0.75 4.63 5.07 2bo8C1 HIS 242 HB2 0.03 -0.04 0.01 -0.04 3.26 3.22 2bo8C1 HIS 242 HB3 0.04 -0.04 0.12 -0.04 3.20 3.28 2bo8C1 HIS 242 HD2 -0.02 -0.00 -0.02 -0.04 6.97 6.89 2bo8C1 HIS 242 HE1 -0.04 -0.01 -0.04 -0.04 7.75 7.62 2bo8C1 GLU 243 H 0.29 0.44 -0.10 -0.55 8.60 8.69 2bo8C1 GLU 243 HA 0.20 -0.08 0.48 -0.75 4.29 4.14 2bo8C1 GLU 243 HB2 0.36 0.11 0.08 -0.04 2.09 2.60 2bo8C1 GLU 243 HB3 0.30 0.06 0.11 -0.04 1.99 2.42 2bo8C1 GLU 243 HG2 0.08 -0.08 0.09 -0.04 2.34 2.39 2bo8C1 GLU 243 HG3 -0.18 -0.05 0.10 -0.04 2.34 2.17 2bo8C1 VAL 244 H 0.18 0.05 0.20 -0.55 8.24 8.12 2bo8C1 VAL 244 HA 0.34 0.28 0.68 -0.75 4.13 4.68 2bo8C1 VAL 244 HB 0.11 -0.08 0.04 -0.04 2.12 2.14 2bo8C1 VAL 244 HG13 0.09 -0.21 0.04 -0.04 0.97 0.85 2bo8C1 VAL 244 HG23 0.14 0.05 -0.08 -0.04 0.95 1.02 2bo8C1 VAL 245 H 0.07 0.08 -0.00 -0.55 8.24 7.83 2bo8C1 VAL 245 HA -0.06 0.02 0.61 -0.75 4.13 3.94 2bo8C1 VAL 245 HB -0.25 0.17 -0.47 -0.04 2.12 1.54 2bo8C1 VAL 245 HG13 0.01 -0.02 -0.19 -0.04 0.97 0.72 2bo8C1 VAL 245 HG23 -0.26 0.00 -0.21 -0.04 0.95 0.44 2bo8C1 GLY 246 H 0.01 0.29 0.04 -0.55 8.43 8.22 2bo8C1 GLY 246 HA2 -0.01 -0.04 0.26 -0.51 4.01 3.72 2bo8C1 GLY 246 HA3 -0.05 0.16 0.48 -0.51 4.01 4.09 2bo8C1 GLN 247 H -0.04 0.11 0.15 -0.55 8.47 8.14 2bo8C1 GLN 247 HA -0.02 0.02 0.71 -0.75 4.36 4.32 2bo8C1 GLN 247 HB2 -0.06 -0.05 -0.00 -0.04 2.15 2.00 2bo8C1 GLN 247 HB3 -0.04 0.74 0.22 -0.04 2.02 2.90 2bo8C1 GLN 247 HG2 -0.03 -0.02 0.09 -0.04 2.40 2.41 2bo8C1 GLN 247 HG3 -0.03 -0.13 0.14 -0.04 2.39 2.33 2bo8C1 GLN 247 HE21 -0.03 0.06 -0.10 -0.04 6.97 6.86 2bo8C1 GLN 247 HE22 -0.03 -0.01 -0.04 -0.04 7.69 7.57 2bo8C1 PRO 248 HA -0.03 0.05 0.38 -0.51 4.44 4.33 2bo8C1 PRO 248 HB2 -0.02 -0.05 -0.02 -0.04 2.28 2.15 2bo8C1 PRO 248 HB3 -0.01 0.03 0.14 -0.04 2.02 2.14 2bo8C1 PRO 248 HG2 -0.02 0.04 0.06 -0.04 2.03 2.07 2bo8C1 PRO 248 HG3 -0.01 0.02 0.11 -0.04 2.03 2.10 2bo8C1 PRO 248 HD2 -0.02 0.05 0.40 -0.04 3.68 4.06 2bo8C1 PRO 248 HD3 -0.02 0.19 0.25 -0.04 3.65 4.03 2bo8C1 ALA 249 H -0.06 0.25 -0.09 -0.55 8.40 7.95 2bo8C1 ALA 249 HA -0.01 -0.07 -0.08 -0.75 4.34 3.42 2bo8C1 ALA 249 HB3 -0.02 0.03 0.01 -0.04 1.41 1.38 2bo8C1 ILE 250 H 0.01 0.05 0.06 -0.55 8.25 7.83 2bo8C1 ILE 250 HA 0.05 -0.02 0.34 -0.75 4.18 3.80 2bo8C1 ILE 250 HB 0.02 0.00 -0.20 -0.04 1.89 1.67 2bo8C1 ILE 250 HG12 0.03 -0.01 0.01 -0.04 1.49 1.48 2bo8C1 ILE 250 HG13 0.01 0.04 -0.03 -0.04 1.21 1.18 2bo8C1 ILE 250 HG23 0.10 -0.01 -0.17 -0.04 0.93 0.82 2bo8C1 ILE 250 HD13 0.03 0.00 -0.10 -0.04 0.88 0.77 2bo8C1 HIS 251 H 0.10 0.17 0.08 -0.55 8.41 8.22 2bo8C1 HIS 251 HA 0.04 0.35 0.98 -0.75 4.63 5.25 2bo8C1 HIS 251 HB2 -0.03 0.14 -0.30 -0.04 3.26 3.03 2bo8C1 HIS 251 HB3 -0.07 -0.08 0.07 -0.04 3.20 3.08 2bo8C1 HIS 251 HD2 -0.07 0.10 -0.11 -0.04 6.97 6.86 2bo8C1 HIS 251 HE1 0.09 0.14 -0.44 -0.04 7.75 7.50 2bo8C1 ARG 252 H 0.00 0.67 0.42 -0.55 8.46 8.99 2bo8C1 ARG 252 HA -0.21 0.12 0.85 -0.75 4.34 4.35 2bo8C1 ARG 252 HB2 0.22 -0.02 0.04 -0.04 1.90 2.11 2bo8C1 ARG 252 HB3 0.07 0.01 0.05 -0.04 1.80 1.88 2bo8C1 ARG 252 HG2 0.03 0.19 -0.66 -0.04 1.67 1.19 2bo8C1 ARG 252 HG3 0.25 -0.01 -0.25 -0.04 1.67 1.63 2bo8C1 ARG 252 HD2 0.08 0.00 -0.03 -0.04 3.22 3.24 2bo8C1 ARG 252 HD3 0.06 0.01 -0.07 -0.04 3.22 3.18 2bo8C1 GLN 253 H -0.22 0.22 0.16 -0.55 8.47 8.08 2bo8C1 GLN 253 HA -0.45 0.07 1.13 -0.75 4.36 4.36 2bo8C1 GLN 253 HB2 -0.16 -0.02 0.06 -0.04 2.15 1.99 2bo8C1 GLN 253 HB3 -0.21 0.10 -0.06 -0.04 2.02 1.82 2bo8C1 GLN 253 HG2 -0.33 -0.03 -0.10 -0.04 2.40 1.90 2bo8C1 GLN 253 HG3 -0.47 -0.05 -0.26 -0.04 2.39 1.57 2bo8C1 GLN 253 HE21 0.10 0.24 0.01 -0.04 6.97 7.28 2bo8C1 GLN 253 HE22 0.03 -0.12 -0.05 -0.04 7.69 7.51 2bo8C1 GLU 254 H -0.39 0.80 0.31 -0.55 8.60 8.78 2bo8C1 GLU 254 HA 0.03 -0.02 0.48 -0.75 4.29 4.03 2bo8C1 GLU 254 HB2 -0.06 0.07 0.28 -0.04 2.09 2.34 2bo8C1 GLU 254 HB3 0.12 -0.10 0.12 -0.04 1.99 2.09 2bo8C1 GLU 254 HG2 0.13 0.16 -0.01 -0.04 2.34 2.57 2bo8C1 GLU 254 HG3 0.16 0.00 0.11 -0.04 2.34 2.57 2bo8C1 HIS 255 H 0.13 0.04 0.18 -0.55 8.41 8.21 2bo8C1 HIS 255 HA -0.04 0.15 0.48 -0.75 4.63 4.47 2bo8C1 HIS 255 HB2 -0.04 0.01 0.13 -0.04 3.26 3.32 2bo8C1 HIS 255 HB3 -0.06 -0.08 0.15 -0.04 3.20 3.17 2bo8C1 HIS 255 HD2 -0.13 -0.10 -0.12 -0.04 6.97 6.58 2bo8C1 HIS 255 HE1 -0.05 -0.06 -0.01 -0.04 7.75 7.58 2bo8C1 PRO 256 HA -1.31 -0.01 0.40 -0.51 4.44 3.01 2bo8C1 PRO 256 HB2 -0.38 0.13 -0.10 -0.04 2.28 1.89 2bo8C1 PRO 256 HB3 -0.34 -0.01 0.01 -0.04 2.02 1.64 2bo8C1 PRO 256 HG2 -0.29 -0.02 0.03 -0.04 2.03 1.71 2bo8C1 PRO 256 HG3 -0.03 0.03 0.03 -0.04 2.03 2.01 2bo8C1 PRO 256 HD2 -0.39 0.03 0.19 -0.04 3.68 3.47 2bo8C1 PRO 256 HD3 -0.05 0.23 0.19 -0.04 3.65 3.99 2bo8C1 HIS 257 H -0.74 0.04 0.09 -0.55 8.41 7.26 2bo8C1 HIS 257 HA -0.16 0.11 0.59 -0.75 4.63 4.41 2bo8C1 HIS 257 HB2 0.14 0.04 -0.01 -0.04 3.26 3.39 2bo8C1 HIS 257 HB3 0.02 -0.05 0.13 -0.04 3.20 3.25 2bo8C1 HIS 257 HD2 0.06 -0.02 0.02 -0.04 6.97 6.98 2bo8C1 HIS 257 HE1 0.10 0.02 0.00 -0.04 7.75 7.82 2bo8C1 ARG 258 H 0.06 0.07 0.09 -0.55 8.46 8.13 2bo8C1 ARG 258 HA 0.05 0.03 0.46 -0.75 4.34 4.12 2bo8C1 ARG 258 HB2 0.04 -0.03 0.14 -0.04 1.90 2.01 2bo8C1 ARG 258 HB3 0.03 0.06 -0.08 -0.04 1.80 1.76 2bo8C1 ARG 258 HG2 0.04 0.02 0.07 -0.04 1.67 1.76 2bo8C1 ARG 258 HG3 0.03 0.00 0.04 -0.04 1.67 1.70 2bo8C1 ARG 258 HD2 0.01 -0.00 -0.01 -0.04 3.22 3.18 2bo8C1 ARG 258 HD3 0.01 0.01 0.04 -0.04 3.22 3.24 2bo8C1 VAL 259 H 0.02 0.05 0.13 -0.55 8.24 7.89 2bo8C1 VAL 259 HA 0.04 0.13 0.37 -0.75 4.13 3.91 2bo8C1 VAL 259 HB -0.35 -0.05 -0.14 -0.04 2.12 1.54 2bo8C1 VAL 259 HG13 -0.21 0.00 -0.06 -0.04 0.97 0.66 2bo8C1 VAL 259 HG23 -0.53 -0.00 0.10 -0.04 0.95 0.48 2bo8C1 PRO 260 HA -0.06 0.10 0.47 -0.51 4.44 4.44 2bo8C1 PRO 260 HB2 -0.48 -0.17 -0.03 -0.04 2.28 1.56 2bo8C1 PRO 260 HB3 -0.10 0.04 0.10 -0.04 2.02 2.02 2bo8C1 PRO 260 HG2 -0.12 0.11 0.06 -0.04 2.03 2.03 2bo8C1 PRO 260 HG3 -0.03 0.11 0.09 -0.04 2.03 2.15 2bo8C1 PRO 260 HD2 -0.09 -0.02 0.14 -0.04 3.68 3.67 2bo8C1 PRO 260 HD3 0.01 0.26 0.23 -0.04 3.65 4.11 2bo8C1 VAL 261 H -0.05 0.18 0.18 -0.55 8.24 8.00 2bo8C1 VAL 261 HA -0.10 0.11 0.30 -0.75 4.13 3.69 2bo8C1 VAL 261 HB 0.01 -0.01 0.17 -0.04 2.12 2.24 2bo8C1 VAL 261 HG13 -0.00 0.02 -0.09 -0.04 0.97 0.85 2bo8C1 VAL 261 HG23 -0.03 0.03 0.06 -0.04 0.95 0.97 2bo8C1 HIS 262 H 0.01 0.09 -0.08 -0.55 8.41 7.89 2bo8C1 HIS 262 HA -0.02 0.12 0.27 -0.75 4.63 4.24 2bo8C1 HIS 262 HB2 -0.01 0.05 0.05 -0.04 3.26 3.31 2bo8C1 HIS 262 HB3 -0.01 -0.02 0.07 -0.04 3.20 3.20 2bo8C1 HIS 262 HD2 -0.01 -0.00 -0.34 -0.04 6.97 6.58 2bo8C1 HIS 262 HE1 0.01 0.07 -0.02 -0.04 7.75 7.76 2bo8C1 ILE 263 H -0.44 0.17 -0.69 -0.55 8.25 6.74 2bo8C1 ILE 263 HA -0.06 0.12 0.52 -0.75 4.18 4.01 2bo8C1 ILE 263 HB -0.23 0.09 -0.07 -0.04 1.89 1.64 2bo8C1 ILE 263 HG12 -0.03 -0.01 -0.14 -0.04 1.49 1.28 2bo8C1 ILE 263 HG13 -0.59 -0.09 -0.27 -0.04 1.21 0.22 2bo8C1 ILE 263 HG23 0.01 -0.00 -0.38 -0.04 0.93 0.52 2bo8C1 ILE 263 HD13 -0.14 0.03 -0.14 -0.04 0.88 0.60 2bo8C1 ALA 264 H -0.20 0.51 -0.05 -0.55 8.40 8.11 2bo8C1 ALA 264 HA -0.12 -0.01 0.54 -0.75 4.34 4.00 2bo8C1 ALA 264 HB3 -0.39 -0.01 0.08 -0.04 1.41 1.05 2bo8C1 GLU 265 H -0.05 0.47 -0.34 -0.55 8.60 8.14 2bo8C1 GLU 265 HA -0.00 0.11 0.46 -0.75 4.29 4.10 2bo8C1 GLU 265 HB2 0.00 0.06 0.06 -0.04 2.09 2.17 2bo8C1 GLU 265 HB3 -0.00 -0.05 0.19 -0.04 1.99 2.09 2bo8C1 GLU 265 HG2 -0.01 -0.01 -0.03 -0.04 2.34 2.25 2bo8C1 GLU 265 HG3 -0.03 -0.03 -0.07 -0.04 2.34 2.17 2bo8C1 ARG 266 H 0.02 0.31 -0.50 -0.55 8.46 7.73 2bo8C1 ARG 266 HA 0.00 0.19 0.92 -0.75 4.34 4.70 2bo8C1 ARG 266 HB2 0.02 -0.03 -0.14 -0.04 1.90 1.71 2bo8C1 ARG 266 HB3 0.02 0.02 0.06 -0.04 1.80 1.85 2bo8C1 ARG 266 HG2 0.04 0.21 -0.17 -0.04 1.67 1.72 2bo8C1 ARG 266 HG3 0.03 0.14 -0.06 -0.04 1.67 1.74 2bo8C1 ARG 266 HD2 0.03 -0.03 -0.04 -0.04 3.22 3.13 2bo8C1 ARG 266 HD3 0.06 0.00 -0.00 -0.04 3.22 3.24 2bo8C1 VAL 267 H -0.01 0.20 0.14 -0.55 8.24 8.02 2bo8C1 VAL 267 HA -0.02 0.11 0.83 -0.75 4.13 4.29 2bo8C1 VAL 267 HB -0.07 0.01 0.16 -0.04 2.12 2.18 2bo8C1 VAL 267 HG13 -0.21 -0.05 0.06 -0.04 0.97 0.72 2bo8C1 VAL 267 HG23 -0.06 0.02 0.01 -0.04 0.95 0.88 2bo8C1 GLY 268 H 0.07 0.11 0.07 -0.55 8.43 8.13 2bo8C1 GLY 268 HA2 0.13 0.08 0.36 -0.51 4.01 4.07 2bo8C1 GLY 268 HA3 0.21 0.04 0.15 -0.51 4.01 3.90 2bo8C1 TYR 269 H -0.06 0.14 -0.29 -0.55 8.29 7.53 2bo8C1 TYR 269 HA 0.08 0.31 0.38 -0.75 4.56 4.58 2bo8C1 TYR 269 HB2 0.05 -0.06 0.06 -0.04 3.06 3.06 2bo8C1 TYR 269 HB3 0.08 0.17 -0.21 -0.04 2.98 2.97 2bo8C1 TYR 269 HD2 -0.02 0.00 -0.29 -0.04 7.15 6.80 2bo8C1 TYR 269 HE2 -0.12 0.03 -0.10 -0.04 6.85 6.62 2bo8C1 ASP 270 H 0.22 0.50 0.14 -0.55 8.40 8.71 2bo8C1 ASP 270 HA -0.06 0.15 0.71 -0.75 4.63 4.67 2bo8C1 ASP 270 HB2 0.04 0.13 -0.03 -0.04 2.71 2.82 2bo8C1 ASP 270 HB3 0.10 -0.06 -0.08 -0.04 2.70 2.61 2bo8C1 VAL 271 H -0.18 0.29 0.18 -0.55 8.24 7.98 2bo8C1 VAL 271 HA 0.02 0.08 0.31 -0.75 4.13 3.78 2bo8C1 VAL 271 HB -0.13 0.00 0.15 -0.04 2.12 2.10 2bo8C1 VAL 271 HG13 -0.08 0.02 -0.10 -0.04 0.97 0.77 2bo8C1 VAL 271 HG23 -0.40 0.05 0.01 -0.04 0.95 0.56 2bo8C1 GLU 272 H -0.01 0.13 -0.04 -0.55 8.60 8.13 2bo8C1 GLU 272 HA 0.03 0.12 0.30 -0.75 4.29 3.98 2bo8C1 GLU 272 HB2 0.00 0.06 0.10 -0.04 2.09 2.21 2bo8C1 GLU 272 HB3 0.02 -0.06 0.09 -0.04 1.99 2.00 2bo8C1 GLU 272 HG2 0.05 -0.00 -0.28 -0.04 2.34 2.06 2bo8C1 GLU 272 HG3 0.01 0.05 0.02 -0.04 2.34 2.38 2bo8C1 ALA 273 H 0.07 0.06 -0.21 -0.55 8.40 7.77 2bo8C1 ALA 273 HA 0.15 0.10 0.40 -0.75 4.34 4.24 2bo8C1 ALA 273 HB3 0.10 0.02 0.06 -0.04 1.41 1.54 2bo8C1 THR 274 H 0.12 0.47 -0.22 -0.55 8.28 8.10 2bo8C1 THR 274 HA 0.09 -0.08 0.46 -0.75 4.39 4.10 2bo8C1 THR 274 HB 0.15 0.17 0.17 -0.04 4.32 4.76 2bo8C1 THR 274 HG23 -0.13 0.00 -0.07 -0.04 1.22 0.99 2bo8C1 LEU 275 H 0.07 0.58 -0.02 -0.55 8.37 8.45 2bo8C1 LEU 275 HA 0.07 0.04 0.45 -0.75 4.35 4.15 2bo8C1 LEU 275 HB2 0.08 0.09 0.15 -0.04 1.64 1.91 2bo8C1 LEU 275 HB3 0.10 0.01 0.03 -0.04 1.64 1.74 2bo8C1 LEU 275 HG 0.01 0.10 0.04 -0.04 1.64 1.74 2bo8C1 LEU 275 HD13 0.04 -0.02 -0.06 -0.04 0.93 0.85 2bo8C1 LEU 275 HD23 0.04 -0.00 -0.04 -0.04 0.89 0.84 2bo8C1 HIS 276 H 0.19 0.51 -0.05 -0.55 8.41 8.51 2bo8C1 HIS 276 HA 0.06 0.07 0.43 -0.75 4.63 4.44 2bo8C1 HIS 276 HB2 0.04 -0.00 0.11 -0.04 3.26 3.37 2bo8C1 HIS 276 HB3 0.05 0.07 0.15 -0.04 3.20 3.44 2bo8C1 HIS 276 HD2 0.03 -0.07 -0.02 -0.04 6.97 6.87 2bo8C1 HIS 276 HE1 0.02 0.02 -0.03 -0.04 7.75 7.72 2bo8C1 ARG 277 H 0.12 0.40 -0.28 -0.55 8.46 8.15 2bo8C1 ARG 277 HA -0.05 0.01 0.26 -0.75 4.34 3.80 2bo8C1 ARG 277 HB2 0.06 -0.05 0.08 -0.04 1.90 1.95 2bo8C1 ARG 277 HB3 0.13 0.06 0.14 -0.04 1.80 2.09 2bo8C1 ARG 277 HG2 0.27 -0.19 -0.03 -0.04 1.67 1.68 2bo8C1 ARG 277 HG3 0.37 0.09 -0.15 -0.04 1.67 1.93 2bo8C1 ARG 277 HD2 0.10 0.05 0.09 -0.04 3.22 3.41 2bo8C1 ARG 277 HD3 0.07 -0.04 0.01 -0.04 3.22 3.21 2bo8C1 LEU 278 H 0.10 0.33 -0.26 -0.55 8.37 7.99 2bo8C1 LEU 278 HA 0.05 -0.03 0.46 -0.75 4.35 4.07 2bo8C1 LEU 278 HB2 0.06 0.01 0.18 -0.04 1.64 1.85 2bo8C1 LEU 278 HB3 0.14 0.18 0.07 -0.04 1.64 1.99 2bo8C1 LEU 278 HG 0.19 0.06 0.05 -0.04 1.64 1.90 2bo8C1 LEU 278 HD13 -0.01 -0.02 0.10 -0.04 0.93 0.97 2bo8C1 LEU 278 HD23 0.11 -0.03 -0.00 -0.04 0.89 0.93 2bo8C1 MET 279 H 0.18 0.34 -0.47 -0.55 8.47 7.98 2bo8C1 MET 279 HA 0.47 0.38 0.66 -0.75 4.52 5.28 2bo8C1 MET 279 HB2 0.23 0.04 0.06 -0.04 2.15 2.43 2bo8C1 MET 279 HB3 0.19 -0.02 0.07 -0.04 2.03 2.23 2bo8C1 MET 279 HG2 0.18 0.25 -0.28 -0.04 2.63 2.74 2bo8C1 MET 279 HG3 0.19 -0.04 -0.14 -0.04 2.56 2.52 2bo8C1 MET 279 HE3 0.07 0.01 -0.13 -0.04 2.10 2.01 2bo8C1 GLN 280 H 0.08 0.44 -0.34 -0.55 8.47 8.11 2bo8C1 GLN 280 HA 0.07 0.16 0.87 -0.75 4.36 4.71 2bo8C1 GLN 280 HB2 -0.14 0.07 0.09 -0.04 2.15 2.13 2bo8C1 GLN 280 HB3 -0.48 -0.14 0.13 -0.04 2.02 1.49 2bo8C1 GLN 280 HG2 -0.08 -0.01 -0.05 -0.04 2.40 2.22 2bo8C1 GLN 280 HG3 -0.01 0.15 -0.16 -0.04 2.39 2.32 2bo8C1 GLN 280 HE21 -0.43 -0.08 -0.04 -0.04 6.97 6.38 2bo8C1 GLN 280 HE22 -0.15 0.03 -0.03 -0.04 7.69 7.49 2bo8C1 HIS 281 H -0.21 0.10 0.17 -0.55 8.41 7.93 2bo8C1 HIS 281 HA 0.02 0.01 0.36 -0.75 4.63 4.26 2bo8C1 HIS 281 HB2 -0.09 0.21 -0.20 -0.04 3.26 3.14 2bo8C1 HIS 281 HB3 -0.06 -0.05 0.17 -0.04 3.20 3.21 2bo8C1 HIS 281 HD2 -0.00 0.03 0.07 -0.04 6.97 7.02 2bo8C1 HIS 281 HE1 -0.04 -0.04 -0.01 -0.04 7.75 7.62 2bo8C1 TRP 282 H 0.27 0.05 -0.24 -0.55 7.97 7.49 2bo8C1 TRP 282 HA 0.04 0.12 0.53 -0.75 4.62 4.56 2bo8C1 TRP 282 HB2 0.02 0.01 -0.01 -0.04 3.23 3.21 2bo8C1 TRP 282 HB3 0.01 -0.08 -0.03 -0.04 3.23 3.08 2bo8C1 TRP 282 HD1 0.03 0.17 -0.33 -0.04 7.22 7.04 2bo8C1 TRP 282 HE1 0.04 0.32 -0.13 -0.04 10.20 10.39 2bo8C1 TRP 282 HE3 -0.01 -0.18 0.02 -0.04 7.59 7.39 2bo8C1 TRP 282 HZ2 0.02 0.10 -0.04 -0.04 7.44 7.48 2bo8C1 TRP 282 HZ3 -0.03 -0.06 -0.22 -0.04 7.13 6.78 2bo8C1 TRP 282 HH2 -0.02 -0.04 -0.20 -0.04 7.19 6.89 2bo8C1 THR 283 H 0.46 0.28 0.16 -0.55 8.28 8.63 2bo8C1 THR 283 HA 0.12 0.21 0.74 -0.75 4.39 4.71 2bo8C1 THR 283 HB 0.06 0.10 -0.16 -0.04 4.32 4.28 2bo8C1 THR 283 HG23 0.02 -0.33 -0.06 -0.04 1.22 0.81 2bo8C1 PRO 284 HA 0.05 0.13 0.50 -0.51 4.44 4.62 2bo8C1 PRO 284 HB2 0.02 0.02 0.08 -0.04 2.28 2.35 2bo8C1 PRO 284 HB3 0.02 0.09 0.11 -0.04 2.02 2.19 2bo8C1 PRO 284 HG2 0.03 0.08 0.10 -0.04 2.03 2.19 2bo8C1 PRO 284 HG3 0.03 0.09 0.08 -0.04 2.03 2.20 2bo8C1 PRO 284 HD2 0.04 0.06 0.22 -0.04 3.68 3.97 2bo8C1 PRO 284 HD3 0.07 0.20 0.21 -0.04 3.65 4.08 2bo8C1 ARG 285 H 0.02 0.14 -0.12 -0.55 8.46 7.95 2bo8C1 ARG 285 HA -0.02 0.11 0.41 -0.75 4.34 4.09 2bo8C1 ARG 285 HB2 -0.01 0.05 0.09 -0.04 1.90 1.99 2bo8C1 ARG 285 HB3 -0.03 -0.04 0.05 -0.04 1.80 1.75 2bo8C1 ARG 285 HG2 -0.12 -0.03 -0.14 -0.04 1.67 1.34 2bo8C1 ARG 285 HG3 -0.06 0.03 0.06 -0.04 1.67 1.65 2bo8C1 ARG 285 HD2 -0.02 0.04 0.02 -0.04 3.22 3.22 2bo8C1 ARG 285 HD3 -0.03 -0.03 0.01 -0.04 3.22 3.12 2bo8C1 GLN 286 H 0.02 0.08 -0.24 -0.55 8.47 7.79 2bo8C1 GLN 286 HA -0.13 0.04 0.45 -0.75 4.36 3.96 2bo8C1 GLN 286 HB2 0.20 0.05 0.15 -0.04 2.15 2.51 2bo8C1 GLN 286 HB3 0.02 0.07 -0.04 -0.04 2.02 2.03 2bo8C1 GLN 286 HG2 -0.15 0.09 0.07 -0.04 2.40 2.37 2bo8C1 GLN 286 HG3 -0.07 -0.16 0.05 -0.04 2.39 2.17 2bo8C1 GLN 286 HE21 -0.07 0.56 0.09 -0.04 6.97 7.51 2bo8C1 GLN 286 HE22 -0.04 -0.18 -0.03 -0.04 7.69 7.40 2bo8C1 VAL 287 H 0.17 0.39 -0.14 -0.55 8.24 8.11 2bo8C1 VAL 287 HA 0.16 0.05 0.37 -0.75 4.13 3.96 2bo8C1 VAL 287 HB 0.02 0.13 0.16 -0.04 2.12 2.39 2bo8C1 VAL 287 HG13 -0.05 -0.01 -0.04 -0.04 0.97 0.83 2bo8C1 VAL 287 HG23 -0.01 0.03 0.05 -0.04 0.95 0.97 2bo8C1 GLU 288 H 0.01 0.31 -0.30 -0.55 8.60 8.08 2bo8C1 GLU 288 HA 0.00 0.05 0.42 -0.75 4.29 4.01 2bo8C1 GLU 288 HB2 -0.01 0.01 0.09 -0.04 2.09 2.15 2bo8C1 GLU 288 HB3 -0.03 0.07 0.17 -0.04 1.99 2.16 2bo8C1 GLU 288 HG2 -0.01 0.01 -0.03 -0.04 2.34 2.27 2bo8C1 GLU 288 HG3 -0.00 -0.02 0.01 -0.04 2.34 2.29 2bo8C1 LEU 289 H -0.09 0.69 0.05 -0.55 8.37 8.47 2bo8C1 LEU 289 HA -0.09 0.01 0.32 -0.75 4.35 3.84 2bo8C1 LEU 289 HB2 -0.31 0.09 0.18 -0.04 1.64 1.56 2bo8C1 LEU 289 HB3 -0.50 -0.00 -0.06 -0.04 1.64 1.03 2bo8C1 LEU 289 HG -1.19 0.03 -0.00 -0.04 1.64 0.44 2bo8C1 LEU 289 HD13 -0.12 0.00 -0.00 -0.04 0.93 0.77 2bo8C1 LEU 289 HD23 -0.85 -0.03 -0.16 -0.04 0.89 -0.19 2bo8C1 LEU 290 H 0.03 0.39 -0.56 -0.55 8.37 7.68 2bo8C1 LEU 290 HA 0.31 -0.01 0.40 -0.75 4.35 4.29 2bo8C1 LEU 290 HB2 0.06 0.32 0.07 -0.04 1.64 2.06 2bo8C1 LEU 290 HB3 0.07 -0.08 -0.02 -0.04 1.64 1.58 2bo8C1 LEU 290 HG 0.06 0.07 -0.02 -0.04 1.64 1.72 2bo8C1 LEU 290 HD13 0.15 0.01 -0.05 -0.04 0.93 1.01 2bo8C1 LEU 290 HD23 -0.16 -0.02 -0.06 -0.04 0.89 0.61 2bo8C1 GLU 291 H 0.05 0.61 -0.23 -0.55 8.60 8.49 2bo8C1 GLU 291 HA 0.05 -0.02 0.47 -0.75 4.29 4.04 2bo8C1 GLU 291 HB2 0.02 0.39 0.21 -0.04 2.09 2.67 2bo8C1 GLU 291 HB3 0.01 -0.03 -0.06 -0.04 1.99 1.87 2bo8C1 GLU 291 HG2 0.01 -0.05 0.04 -0.04 2.34 2.30 2bo8C1 GLU 291 HG3 0.01 -0.03 0.04 -0.04 2.34 2.32 2bo8C1 LEU 292 H 0.09 0.45 -0.45 -0.55 8.37 7.91 2bo8C1 LEU 292 HA -0.10 0.05 0.39 -0.75 4.35 3.94 2bo8C1 LEU 292 HB2 -0.14 0.13 0.05 -0.04 1.64 1.64 2bo8C1 LEU 292 HB3 -0.42 -0.04 0.07 -0.04 1.64 1.20 2bo8C1 LEU 292 HG -0.05 -0.03 0.01 -0.04 1.64 1.52 2bo8C1 LEU 292 HD13 -0.02 -0.01 0.01 -0.04 0.93 0.87 2bo8C1 LEU 292 HD23 -0.33 -0.01 -0.02 -0.04 0.89 0.49 2bo8C1 PHE 293 H 0.26 0.56 -0.38 -0.55 8.34 8.23 2bo8C1 PHE 293 HA 0.07 0.11 0.71 -0.75 4.62 4.76 2bo8C1 PHE 293 HB2 0.06 0.14 0.03 -0.04 3.15 3.33 2bo8C1 PHE 293 HB3 0.09 -0.12 0.01 -0.04 3.06 3.00 2bo8C1 PHE 293 HD2 0.08 -0.00 0.00 -0.04 7.28 7.32 2bo8C1 PHE 293 HE2 0.11 0.05 -0.10 -0.04 7.38 7.40 2bo8C1 PHE 293 HZ 0.44 -0.04 -0.15 -0.04 7.32 7.53 2bo8C1 THR 294 H 0.21 0.10 0.10 -0.55 8.28 8.14 2bo8C1 THR 294 HA 0.09 0.12 0.46 -0.75 4.39 4.30 2bo8C1 THR 294 HB 0.10 -0.02 0.11 -0.04 4.32 4.47 2bo8C1 THR 294 HG23 0.11 0.04 0.08 -0.04 1.22 1.40 2bo8C1 THR 295 H 0.06 0.15 0.17 -0.55 8.28 8.11 2bo8C1 THR 295 HA 0.03 0.11 0.37 -0.75 4.39 4.16 2bo8C1 THR 295 HB 0.03 0.01 0.16 -0.04 4.32 4.48 2bo8C1 THR 295 HG23 0.00 -0.00 -0.06 -0.04 1.22 1.12 2bo8C1 PRO 296 HA -0.03 0.07 0.36 -0.51 4.44 4.33 2bo8C1 PRO 296 HB2 0.15 0.05 -0.01 -0.04 2.28 2.43 2bo8C1 PRO 296 HB3 0.09 0.04 0.07 -0.04 2.02 2.19 2bo8C1 PRO 296 HG2 0.10 0.07 0.04 -0.04 2.03 2.20 2bo8C1 PRO 296 HG3 0.06 0.06 0.06 -0.04 2.03 2.17 2bo8C1 PRO 296 HD2 0.09 0.05 -0.15 -0.04 3.68 3.63 2bo8C1 PRO 296 HD3 0.05 0.10 0.12 -0.04 3.65 3.89 2bo8C1 VAL 297 H 0.09 0.19 -0.33 -0.55 8.24 7.64 2bo8C1 VAL 297 HA -0.11 0.00 0.38 -0.75 4.13 3.65 2bo8C1 VAL 297 HB 0.18 0.16 0.02 -0.04 2.12 2.44 2bo8C1 VAL 297 HG13 0.08 0.01 -0.12 -0.04 0.97 0.90 2bo8C1 VAL 297 HG23 0.32 -0.01 -0.04 -0.04 0.95 1.19 2bo8C1 ARG 298 H 0.02 0.52 -0.17 -0.55 8.46 8.28 2bo8C1 ARG 298 HA -0.01 0.03 0.29 -0.75 4.34 3.89 2bo8C1 ARG 298 HB2 0.10 0.23 -0.05 -0.04 1.90 2.13 2bo8C1 ARG 298 HB3 0.02 -0.05 0.05 -0.04 1.80 1.78 2bo8C1 ARG 298 HG2 -0.01 -0.07 -0.28 -0.04 1.67 1.26 2bo8C1 ARG 298 HG3 0.04 -0.06 -0.16 -0.04 1.67 1.46 2bo8C1 ARG 298 HD2 0.02 -0.05 -0.16 -0.04 3.22 2.99 2bo8C1 ARG 298 HD3 0.06 0.16 -0.20 -0.04 3.22 3.20 2bo8C1 GLU 299 H -0.09 0.72 -0.02 -0.55 8.60 8.66 2bo8C1 GLU 299 HA -0.10 0.03 0.43 -0.75 4.29 3.89 2bo8C1 GLU 299 HB2 -0.10 0.05 0.08 -0.04 2.09 2.07 2bo8C1 GLU 299 HB3 -0.09 -0.05 0.01 -0.04 1.99 1.81 2bo8C1 GLU 299 HG2 -0.04 0.07 0.04 -0.04 2.34 2.37 2bo8C1 GLU 299 HG3 -0.04 -0.04 -0.01 -0.04 2.34 2.20 2bo8C1 GLY 300 H -0.45 0.57 -0.26 -0.55 8.43 7.75 2bo8C1 GLY 300 HA2 -0.54 -0.08 0.34 -0.51 4.01 3.23 2bo8C1 GLY 300 HA3 -2.06 0.03 0.30 -0.51 4.01 1.76 2bo8C1 LEU 301 H -0.32 0.72 -0.02 -0.55 8.37 8.20 2bo8C1 LEU 301 HA 0.20 0.02 0.31 -0.75 4.35 4.13 2bo8C1 LEU 301 HB2 0.02 0.21 0.15 -0.04 1.64 1.97 2bo8C1 LEU 301 HB3 0.20 0.02 -0.05 -0.04 1.64 1.76 2bo8C1 LEU 301 HG 0.15 -0.03 -0.02 -0.04 1.64 1.70 2bo8C1 LEU 301 HD13 0.13 -0.01 -0.05 -0.04 0.93 0.96 2bo8C1 LEU 301 HD23 0.29 -0.01 -0.01 -0.04 0.89 1.12 2bo8C1 ARG 302 H -0.09 0.45 -0.33 -0.55 8.46 7.94 2bo8C1 ARG 302 HA -0.30 0.03 0.51 -0.75 4.34 3.82 2bo8C1 ARG 302 HB2 -0.12 0.13 0.15 -0.04 1.90 2.02 2bo8C1 ARG 302 HB3 -0.17 -0.08 -0.05 -0.04 1.80 1.46 2bo8C1 ARG 302 HG2 -0.18 -0.09 0.04 -0.04 1.67 1.40 2bo8C1 ARG 302 HG3 -0.06 0.13 0.05 -0.04 1.67 1.75 2bo8C1 ARG 302 HD2 -0.07 -0.01 -0.07 -0.04 3.22 3.03 2bo8C1 ARG 302 HD3 -0.11 -0.07 -0.02 -0.04 3.22 2.98 2bo8C1 THR 303 H -0.11 0.54 -0.08 -0.55 8.28 8.08 2bo8C1 THR 303 HA -0.10 -0.04 0.48 -0.75 4.39 3.99 2bo8C1 THR 303 HB -0.02 0.18 0.13 -0.04 4.32 4.56 2bo8C1 THR 303 HG23 -0.03 -0.02 -0.07 -0.04 1.22 1.05 2bo8C1 CYS 304 H 0.06 0.31 -0.50 -0.55 8.50 7.82 2bo8C1 CYS 304 HA 0.13 0.36 0.36 -0.75 4.58 4.68 2bo8C1 CYS 304 HB2 0.50 0.35 0.15 -0.04 2.97 3.92 2bo8C1 CYS 304 HB3 0.41 0.06 0.06 -0.04 2.97 3.45 2bo8C1 GLN 305 H -0.30 0.52 -0.52 -0.55 8.47 7.63 2bo8C1 GLN 305 HA -0.34 0.12 0.68 -0.75 4.36 4.07 2bo8C1 GLN 305 HB2 -0.43 0.02 0.05 -0.04 2.15 1.75 2bo8C1 GLN 305 HB3 -0.52 -0.10 0.08 -0.04 2.02 1.44 2bo8C1 GLN 305 HG2 -2.84 -0.07 0.01 -0.04 2.40 -0.55 2bo8C1 GLN 305 HG3 -1.44 0.17 0.10 -0.04 2.39 1.19 2bo8C1 GLN 305 HE21 -0.37 -0.10 0.01 -0.04 6.97 6.47 2bo8C1 GLN 305 HE22 -0.57 0.20 0.13 -0.04 7.69 7.41 2bo8C1 ARG 306 H -0.09 0.61 0.05 -0.55 8.46 8.48 2bo8C1 ARG 306 HA -0.04 0.12 0.86 -0.75 4.34 4.53 2bo8C1 ARG 306 HB2 -0.05 0.07 0.11 -0.04 1.90 1.99 2bo8C1 ARG 306 HB3 -0.04 -0.08 0.03 -0.04 1.80 1.67 2bo8C1 ARG 306 HG2 -0.08 -0.01 -0.06 -0.04 1.67 1.48 2bo8C1 ARG 306 HG3 -0.13 0.00 -0.07 -0.04 1.67 1.44 2bo8C1 ARG 306 HD2 -0.06 -0.04 -0.01 -0.04 3.22 3.07 2bo8C1 ARG 306 HD3 -0.08 -0.03 -0.02 -0.04 3.22 3.05 2bo8C1 ARG 307 H 0.01 0.64 0.20 -0.55 8.46 8.76 2bo8C1 ARG 307 HA 0.04 0.11 0.48 -0.75 4.34 4.21 2bo8C1 ARG 307 HB2 0.01 -0.02 0.08 -0.04 1.90 1.94 2bo8C1 ARG 307 HB3 -0.00 0.04 -0.26 -0.04 1.80 1.54 2bo8C1 ARG 307 HG2 -0.01 -0.00 -0.13 -0.04 1.67 1.49 2bo8C1 ARG 307 HG3 0.00 0.09 -0.47 -0.04 1.67 1.25 2bo8C1 ARG 307 HD2 -0.02 -0.01 -0.07 -0.04 3.22 3.08 2bo8C1 ARG 307 HD3 -0.02 -0.02 -0.10 -0.04 3.22 3.04 2bo8C1 PRO 308 HA 0.16 0.14 0.51 -0.51 4.44 4.74 2bo8C1 PRO 308 HB2 0.25 -0.06 0.00 -0.04 2.28 2.43 2bo8C1 PRO 308 HB3 0.20 0.03 0.06 -0.04 2.02 2.26 2bo8C1 PRO 308 HG2 0.11 -0.04 0.03 -0.04 2.03 2.09 2bo8C1 PRO 308 HG3 0.11 0.14 -0.03 -0.04 2.03 2.22 2bo8C1 PRO 308 HD2 0.06 0.05 0.16 -0.04 3.68 3.91 2bo8C1 PRO 308 HD3 0.06 0.15 0.15 -0.04 3.65 3.98 2bo8C1 ALA 309 H 0.20 0.31 0.19 -0.55 8.40 8.54 2bo8C1 ALA 309 HA -0.15 0.06 0.73 -0.75 4.34 4.23 2bo8C1 ALA 309 HB3 0.13 0.04 -0.00 -0.04 1.41 1.53 2bo8C1 PHE 310 H -0.52 -0.07 0.16 -0.55 8.34 7.36 2bo8C1 PHE 310 HA -0.43 0.18 0.70 -0.75 4.62 4.32 2bo8C1 PHE 310 HB2 -0.23 0.13 0.09 -0.04 3.15 3.10 2bo8C1 PHE 310 HB3 -0.12 0.11 -0.13 -0.04 3.06 2.87 2bo8C1 PHE 310 HD2 -0.07 0.03 -0.40 -0.04 7.28 6.80 2bo8C1 PHE 310 HE2 -0.04 0.04 -0.12 -0.04 7.38 7.21 2bo8C1 PHE 310 HZ -0.04 0.02 -0.07 -0.04 7.32 7.19 2bo8C1 ASN 311 H -0.47 0.02 0.14 -0.55 8.53 7.68 2bo8C1 ASN 311 HA -0.02 0.12 0.39 -0.75 4.76 4.50 2bo8C1 ASN 311 HB2 -0.09 -0.03 0.09 -0.04 2.88 2.81 2bo8C1 ASN 311 HB3 -0.03 0.06 0.00 -0.04 2.79 2.79 2bo8C1 ASN 311 HD21 -0.12 0.04 0.01 -0.04 7.03 6.91 2bo8C1 ASN 311 HD22 -0.10 0.02 0.01 -0.04 7.74 7.63 2bo8C1 PHE 312 H 0.21 0.03 -0.43 -0.55 8.34 7.60 2bo8C1 PHE 312 HA 0.04 0.07 0.37 -0.75 4.62 4.34 2bo8C1 PHE 312 HB2 0.05 -0.03 -0.05 -0.04 3.15 3.08 2bo8C1 PHE 312 HB3 0.01 -0.01 0.01 -0.04 3.06 3.03 2bo8C1 PHE 312 HD2 0.04 -0.11 -0.31 -0.04 7.28 6.86 2bo8C1 PHE 312 HE2 0.07 0.14 -0.25 -0.04 7.38 7.30 2bo8C1 PHE 312 HZ 0.07 0.07 -0.10 -0.04 7.32 7.32 2bo8C1 MET 313 H -0.64 0.61 -0.42 -0.55 8.47 7.47 2bo8C1 MET 313 HA 0.01 0.05 0.40 -0.75 4.52 4.23 2bo8C1 MET 313 HB2 -0.94 -0.06 -0.07 -0.04 2.15 1.04 2bo8C1 MET 313 HB3 -0.41 0.14 0.00 -0.04 2.03 1.72 2bo8C1 MET 313 HG2 -0.08 0.02 -0.10 -0.04 2.63 2.42 2bo8C1 MET 313 HG3 -0.04 -0.01 -0.01 -0.04 2.56 2.46 2bo8C1 MET 313 HE3 0.42 0.00 -0.05 -0.04 2.10 2.42 2bo8C1 ASP 314 H 0.09 0.33 -0.08 -0.55 8.40 8.20 2bo8C1 ASP 314 HA 0.06 0.20 0.64 -0.75 4.63 4.78 2bo8C1 ASP 314 HB2 0.12 -0.14 0.18 -0.04 2.71 2.82 2bo8C1 ASP 314 HB3 0.07 0.13 0.06 -0.04 2.70 2.92 2bo8C1 GLU 315 H 0.18 0.18 0.12 -0.55 8.60 8.55 2bo8C1 GLU 315 HA 0.35 0.12 0.30 -0.75 4.29 4.30 2bo8C1 GLU 315 HB2 0.15 -0.06 0.18 -0.04 2.09 2.32 2bo8C1 GLU 315 HB3 0.17 0.08 -0.05 -0.04 1.99 2.15 2bo8C1 GLU 315 HG2 -0.14 0.05 0.05 -0.04 2.34 2.26 2bo8C1 GLU 315 HG3 0.21 -0.01 0.07 -0.04 2.34 2.56 2bo8C1 MET 316 H 0.20 0.08 -0.11 -0.55 8.47 8.09 2bo8C1 MET 316 HA 0.25 0.15 0.33 -0.75 4.52 4.49 2bo8C1 MET 316 HB2 0.15 -0.04 0.09 -0.04 2.15 2.31 2bo8C1 MET 316 HB3 0.15 0.06 0.02 -0.04 2.03 2.21 2bo8C1 MET 316 HG2 0.13 -0.02 0.02 -0.04 2.63 2.72 2bo8C1 MET 316 HG3 0.12 0.07 0.01 -0.04 2.56 2.72 2bo8C1 MET 316 HE3 0.08 0.02 -0.04 -0.04 2.10 2.12 2bo8C1 ALA 317 H 0.21 0.05 -0.15 -0.55 8.40 7.97 2bo8C1 ALA 317 HA 0.21 0.02 0.48 -0.75 4.34 4.29 2bo8C1 ALA 317 HB3 0.26 0.01 0.09 -0.04 1.41 1.73 2bo8C1 TRP 318 H 0.43 0.55 -0.38 -0.55 7.97 8.02 2bo8C1 TRP 318 HA 0.14 -0.02 0.33 -0.75 4.62 4.32 2bo8C1 TRP 318 HB2 0.13 0.04 -0.03 -0.04 3.23 3.33 2bo8C1 TRP 318 HB3 0.21 0.15 0.12 -0.04 3.23 3.67 2bo8C1 TRP 318 HD1 0.22 0.01 -0.05 -0.04 7.22 7.35 2bo8C1 TRP 318 HE1 0.22 0.47 0.16 -0.04 10.20 11.01 2bo8C1 TRP 318 HE3 0.10 -0.02 -0.04 -0.04 7.59 7.59 2bo8C1 TRP 318 HZ2 0.33 0.07 -0.04 -0.04 7.44 7.76 2bo8C1 TRP 318 HZ3 0.08 -0.05 -0.30 -0.04 7.13 6.82 2bo8C1 TRP 318 HH2 0.18 -0.05 -0.07 -0.04 7.19 7.21 2bo8C1 ALA 319 H 0.23 0.53 -0.03 -0.55 8.40 8.59 2bo8C1 ALA 319 HA -0.41 0.04 0.36 -0.75 4.34 3.58 2bo8C1 ALA 319 HB3 -0.13 0.03 0.09 -0.04 1.41 1.36 2bo8C1 ALA 320 H 0.12 0.54 -0.11 -0.55 8.40 8.40 2bo8C1 ALA 320 HA 0.14 0.06 0.45 -0.75 4.34 4.25 2bo8C1 ALA 320 HB3 0.14 -0.00 0.13 -0.04 1.41 1.64 2bo8C1 THR 321 H 0.09 0.59 -0.20 -0.55 8.28 8.21 2bo8C1 THR 321 HA 0.34 -0.06 0.34 -0.75 4.39 4.25 2bo8C1 THR 321 HB -0.15 0.19 0.20 -0.04 4.32 4.53 2bo8C1 THR 321 HG23 0.09 -0.03 -0.08 -0.04 1.22 1.15 2bo8C1 TYR 322 H -0.31 0.70 -0.07 -0.55 8.29 8.06 2bo8C1 TYR 322 HA -0.46 -0.08 0.31 -0.75 4.56 3.58 2bo8C1 TYR 322 HB2 -0.89 0.09 0.11 -0.04 3.06 2.33 2bo8C1 TYR 322 HB3 -0.58 0.14 0.08 -0.04 2.98 2.58 2bo8C1 TYR 322 HD2 -0.57 0.04 -0.08 -0.04 7.15 6.50 2bo8C1 TYR 322 HE2 -0.00 0.02 0.07 -0.04 6.85 6.90 2bo8C1 HIS 323 H -0.03 0.49 -0.22 -0.55 8.41 8.09 2bo8C1 HIS 323 HA -0.01 0.06 0.48 -0.75 4.63 4.41 2bo8C1 HIS 323 HB2 -0.02 0.09 0.18 -0.04 3.26 3.47 2bo8C1 HIS 323 HB3 -0.03 -0.03 0.03 -0.04 3.20 3.13 2bo8C1 HIS 323 HD2 -0.06 -0.05 -0.09 -0.04 6.97 6.73 2bo8C1 HIS 323 HE1 -0.11 0.14 -0.01 -0.04 7.75 7.72 2bo8C1 VAL 324 H 0.05 0.44 -0.04 -0.55 8.24 8.14 2bo8C1 VAL 324 HA 0.03 0.05 0.37 -0.75 4.13 3.82 2bo8C1 VAL 324 HB -0.24 0.04 0.14 -0.04 2.12 2.02 2bo8C1 VAL 324 HG13 -0.77 -0.02 -0.16 -0.04 0.97 -0.03 2bo8C1 VAL 324 HG23 -0.09 0.03 0.10 -0.04 0.95 0.95 2bo8C1 LEU 325 H -0.03 0.59 -0.17 -0.55 8.37 8.22 2bo8C1 LEU 325 HA -0.01 -0.07 0.39 -0.75 4.35 3.91 2bo8C1 LEU 325 HB2 -0.41 0.16 0.16 -0.04 1.64 1.51 2bo8C1 LEU 325 HB3 -0.70 -0.07 -0.02 -0.04 1.64 0.80 2bo8C1 LEU 325 HG 0.22 0.09 -0.02 -0.04 1.64 1.89 2bo8C1 LEU 325 HD13 -0.51 -0.02 -0.11 -0.04 0.93 0.25 2bo8C1 LEU 325 HD23 0.09 -0.04 -0.04 -0.04 0.89 0.86 2bo8C1 LEU 326 H -0.04 0.73 0.02 -0.55 8.37 8.53 2bo8C1 LEU 326 HA 0.02 -0.07 0.37 -0.75 4.35 3.91 2bo8C1 LEU 326 HB2 -0.01 0.15 0.21 -0.04 1.64 1.95 2bo8C1 LEU 326 HB3 -0.08 -0.00 0.01 -0.04 1.64 1.53 2bo8C1 LEU 326 HG -0.07 0.06 0.09 -0.04 1.64 1.69 2bo8C1 LEU 326 HD13 -0.02 -0.01 -0.05 -0.04 0.93 0.82 2bo8C1 LEU 326 HD23 -0.27 -0.03 -0.01 -0.04 0.89 0.54 2bo8C1 GLU 327 H -0.06 0.29 -0.59 -0.55 8.60 7.68 2bo8C1 GLU 327 HA -0.17 0.11 0.44 -0.75 4.29 3.92 2bo8C1 GLU 327 HB2 -0.10 -0.01 0.02 -0.04 2.09 1.96 2bo8C1 GLU 327 HB3 -0.13 0.08 0.10 -0.04 1.99 2.00 2bo8C1 GLU 327 HG2 -0.79 -0.02 -0.03 -0.04 2.34 1.45 2bo8C1 GLU 327 HG3 -0.23 -0.03 0.08 -0.04 2.34 2.12 2bo8C1 HIS 328 H -0.14 0.28 -0.01 -0.55 8.41 7.99 2bo8C1 HIS 328 HA -0.21 0.20 1.05 -0.75 4.63 4.92 2bo8C1 HIS 328 HB2 -0.18 0.11 0.03 -0.04 3.26 3.18 2bo8C1 HIS 328 HB3 -0.04 -0.15 0.06 -0.04 3.20 3.02 2bo8C1 HIS 328 HD2 0.03 -0.07 0.02 -0.04 6.97 6.91 2bo8C1 HIS 328 HE1 -0.04 -0.02 -0.02 -0.04 7.75 7.62 2bo8C1 PHE 329 H -0.24 0.81 0.21 -0.55 8.34 8.56 2bo8C1 PHE 329 HA -1.95 -0.12 0.43 -0.75 4.62 2.23 2bo8C1 PHE 329 HB2 -0.37 -0.08 0.10 -0.04 3.15 2.75 2bo8C1 PHE 329 HB3 -0.07 0.19 0.06 -0.04 3.06 3.20 2bo8C1 PHE 329 HD2 0.10 0.07 -0.15 -0.04 7.28 7.25 2bo8C1 PHE 329 HE2 0.11 -0.00 -0.25 -0.04 7.38 7.19 2bo8C1 PHE 329 HZ 0.08 -0.13 -0.11 -0.04 7.32 7.11 2bo8C1 GLN 330 H -1.65 0.01 0.17 -0.55 8.47 6.45 2bo8C1 GLN 330 HA -0.38 0.30 0.81 -0.75 4.36 4.34 2bo8C1 GLN 330 HB2 -0.24 -0.10 0.21 -0.04 2.15 1.97 2bo8C1 GLN 330 HB3 -0.12 -0.07 0.04 -0.04 2.02 1.82 2bo8C1 GLN 330 HG2 -0.24 0.18 -0.09 -0.04 2.40 2.20 2bo8C1 GLN 330 HG3 0.00 -0.08 0.02 -0.04 2.39 2.29 2bo8C1 GLN 330 HE21 -0.04 -0.01 -0.01 -0.04 6.97 6.87 2bo8C1 GLN 330 HE22 -0.03 -0.01 -0.02 -0.04 7.69 7.59 2bo8C1 PRO 331 HA -0.12 -0.06 0.33 -0.51 4.44 4.08 2bo8C1 PRO 331 HB2 0.01 0.03 0.04 -0.04 2.28 2.32 2bo8C1 PRO 331 HB3 0.14 -0.05 0.08 -0.04 2.02 2.15 2bo8C1 PRO 331 HG2 0.04 0.08 0.07 -0.04 2.03 2.18 2bo8C1 PRO 331 HG3 0.26 0.04 0.03 -0.04 2.03 2.32 2bo8C1 PRO 331 HD2 -0.10 0.10 0.18 -0.04 3.68 3.82 2bo8C1 PRO 331 HD3 -0.10 0.49 0.17 -0.04 3.65 4.16 2bo8C1 GLY 332 H 0.01 0.08 0.15 -0.55 8.43 8.11 2bo8C1 GLY 332 HA2 0.02 -0.06 0.30 -0.51 4.01 3.76 2bo8C1 GLY 332 HA3 -0.01 0.16 0.38 -0.51 4.01 4.04 2bo8C1 ASP 333 H -0.08 0.58 -0.32 -0.55 8.40 8.03 2bo8C1 ASP 333 HA 0.03 0.19 0.72 -0.75 4.63 4.82 2bo8C1 ASP 333 HB2 0.08 0.14 0.07 -0.04 2.71 2.95 2bo8C1 ASP 333 HB3 0.15 0.07 0.23 -0.04 2.70 3.11 2bo8C1 PRO 334 HA 0.01 0.04 0.31 -0.51 4.44 4.29 2bo8C1 PRO 334 HB2 -0.02 0.05 0.01 -0.04 2.28 2.28 2bo8C1 PRO 334 HB3 -0.01 0.06 0.12 -0.04 2.02 2.15 2bo8C1 PRO 334 HG2 -0.00 -0.05 0.13 -0.04 2.03 2.07 2bo8C1 PRO 334 HG3 0.00 0.10 0.11 -0.04 2.03 2.20 2bo8C1 PRO 334 HD2 0.02 0.09 0.29 -0.04 3.68 4.04 2bo8C1 PRO 334 HD3 0.01 0.32 0.28 -0.04 3.65 4.22 2bo8C1 ASP 335 H -0.01 0.15 -0.17 -0.55 8.40 7.82 2bo8C1 ASP 335 HA -0.06 0.13 0.52 -0.75 4.63 4.47 2bo8C1 ASP 335 HB2 -0.13 0.02 0.04 -0.04 2.71 2.60 2bo8C1 ASP 335 HB3 -0.21 0.05 -0.11 -0.04 2.70 2.39 2bo8C1 TRP 336 H 0.08 0.11 -0.15 -0.55 7.97 7.47 2bo8C1 TRP 336 HA 0.06 0.10 0.51 -0.75 4.62 4.53 2bo8C1 TRP 336 HB2 -0.27 0.11 0.18 -0.04 3.23 3.21 2bo8C1 TRP 336 HB3 -0.50 0.00 -0.02 -0.04 3.23 2.67 2bo8C1 TRP 336 HD1 -0.10 -0.01 0.10 -0.04 7.22 7.16 2bo8C1 TRP 336 HE1 0.01 0.05 0.04 -0.04 10.20 10.25 2bo8C1 TRP 336 HE3 0.29 -0.11 0.03 -0.04 7.59 7.77 2bo8C1 TRP 336 HZ2 0.05 0.04 -0.03 -0.04 7.44 7.46 2bo8C1 TRP 336 HZ3 0.46 -0.01 -0.13 -0.04 7.13 7.41 2bo8C1 TRP 336 HH2 0.06 0.08 -0.12 -0.04 7.19 7.16 2bo8C1 GLU 337 H 0.16 0.53 -0.24 -0.55 8.60 8.51 2bo8C1 GLU 337 HA 0.44 0.03 0.43 -0.75 4.29 4.44 2bo8C1 GLU 337 HB2 0.08 0.09 0.08 -0.04 2.09 2.30 2bo8C1 GLU 337 HB3 0.11 -0.05 -0.01 -0.04 1.99 1.99 2bo8C1 GLU 337 HG2 0.34 -0.02 -0.01 -0.04 2.34 2.61 2bo8C1 GLU 337 HG3 0.11 0.12 -0.04 -0.04 2.34 2.49 2bo8C1 GLU 338 H 0.05 0.59 -0.04 -0.55 8.60 8.65 2bo8C1 GLU 338 HA 0.07 -0.04 0.32 -0.75 4.29 3.89 2bo8C1 GLU 338 HB2 -0.05 -0.01 0.16 -0.04 2.09 2.15 2bo8C1 GLU 338 HB3 -0.06 0.04 0.20 -0.04 1.99 2.12 2bo8C1 GLU 338 HG2 -0.12 0.23 0.07 -0.04 2.34 2.49 2bo8C1 GLU 338 HG3 -0.20 -0.01 -0.15 -0.04 2.34 1.94 2bo8C1 LEU 339 H 0.04 0.55 -0.28 -0.55 8.37 8.13 2bo8C1 LEU 339 HA -0.10 0.03 0.37 -0.75 4.35 3.89 2bo8C1 LEU 339 HB2 -0.13 0.10 0.12 -0.04 1.64 1.70 2bo8C1 LEU 339 HB3 0.13 0.05 0.11 -0.04 1.64 1.89 2bo8C1 LEU 339 HG -0.07 -0.03 -0.14 -0.04 1.64 1.37 2bo8C1 LEU 339 HD13 -0.11 -0.02 -0.02 -0.04 0.93 0.73 2bo8C1 LEU 339 HD23 -0.26 0.00 -0.11 -0.04 0.89 0.47 2bo8C1 LEU 340 H 0.29 0.67 -0.05 -0.55 8.37 8.74 2bo8C1 LEU 340 HA 0.09 0.01 0.38 -0.75 4.35 4.06 2bo8C1 LEU 340 HB2 -0.01 0.03 0.09 -0.04 1.64 1.72 2bo8C1 LEU 340 HB3 0.17 0.10 0.15 -0.04 1.64 2.02 2bo8C1 LEU 340 HG -0.10 -0.06 -0.37 -0.04 1.64 1.08 2bo8C1 LEU 340 HD13 -0.51 -0.00 -0.01 -0.04 0.93 0.36 2bo8C1 LEU 340 HD23 -0.58 -0.01 -0.10 -0.04 0.89 0.16 2bo8C1 PHE 341 H 0.25 0.59 -0.34 -0.55 8.34 8.28 2bo8C1 PHE 341 HA 0.13 -0.08 0.32 -0.75 4.62 4.24 2bo8C1 PHE 341 HB2 0.02 -0.05 0.06 -0.04 3.15 3.13 2bo8C1 PHE 341 HB3 0.01 0.24 0.19 -0.04 3.06 3.45 2bo8C1 PHE 341 HD2 0.05 0.07 -0.07 -0.04 7.28 7.30 2bo8C1 PHE 341 HE2 0.14 0.05 -0.24 -0.04 7.38 7.28 2bo8C1 PHE 341 HZ 0.06 -0.19 -0.20 -0.04 7.32 6.95 2bo8C1 LYS 342 H 0.06 0.73 0.04 -0.55 8.42 8.69 2bo8C1 LYS 342 HA -0.27 -0.06 0.38 -0.75 4.32 3.61 2bo8C1 LYS 342 HB2 -0.14 0.05 0.18 -0.04 1.87 1.92 2bo8C1 LYS 342 HB3 -0.08 -0.00 0.05 -0.04 1.79 1.72 2bo8C1 LYS 342 HG2 -0.11 -0.08 0.05 -0.04 1.46 1.28 2bo8C1 LYS 342 HG3 -0.15 0.08 0.05 -0.04 1.46 1.40 2bo8C1 LYS 342 HD2 -0.97 -0.10 -0.03 -0.04 1.69 0.55 2bo8C1 LYS 342 HD3 -0.29 0.11 0.06 -0.04 1.68 1.52 2bo8C1 LYS 342 HE2 -1.53 0.07 -0.10 -0.04 2.99 1.39 2bo8C1 LYS 342 HE3 -0.37 0.01 -0.01 -0.04 2.99 2.57 2bo8C1 LEU 343 H 0.04 0.82 -0.03 -0.55 8.37 8.65 2bo8C1 LEU 343 HA 0.14 -0.02 0.39 -0.75 4.35 4.11 2bo8C1 LEU 343 HB2 0.12 0.20 0.17 -0.04 1.64 2.09 2bo8C1 LEU 343 HB3 0.37 -0.02 -0.03 -0.04 1.64 1.92 2bo8C1 LEU 343 HG 0.01 -0.04 -0.03 -0.04 1.64 1.54 2bo8C1 LEU 343 HD13 -0.09 -0.01 -0.02 -0.04 0.93 0.77 2bo8C1 LEU 343 HD23 -0.21 0.02 -0.17 -0.04 0.89 0.49 2bo8C1 TRP 344 H 0.32 0.73 -0.10 -0.55 7.97 8.37 2bo8C1 TRP 344 HA -0.36 0.01 0.38 -0.75 4.62 3.90 2bo8C1 TRP 344 HB2 0.13 0.05 0.07 -0.04 3.23 3.44 2bo8C1 TRP 344 HB3 -0.11 0.15 0.12 -0.04 3.23 3.35 2bo8C1 TRP 344 HD1 -0.10 0.09 -0.06 -0.04 7.22 7.11 2bo8C1 TRP 344 HE1 -0.09 0.20 -0.16 -0.04 10.20 10.11 2bo8C1 TRP 344 HE3 -0.25 0.17 -0.08 -0.04 7.59 7.38 2bo8C1 TRP 344 HZ2 -0.12 -0.21 -0.33 -0.04 7.44 6.74 2bo8C1 TRP 344 HZ3 0.03 -0.00 -0.10 -0.04 7.13 7.01 2bo8C1 TRP 344 HH2 -0.17 -0.06 -0.05 -0.04 7.19 6.88 2bo8C1 THR 345 H -0.19 0.69 -0.12 -0.55 8.28 8.10 2bo8C1 THR 345 HA -0.80 -0.11 0.46 -0.75 4.39 3.19 2bo8C1 THR 345 HB -0.33 0.26 0.21 -0.04 4.32 4.42 2bo8C1 THR 345 HG23 -0.30 -0.04 -0.10 -0.04 1.22 0.74 2bo8C1 THR 346 H -0.17 0.70 -0.06 -0.55 8.28 8.20 2bo8C1 THR 346 HA -0.16 -0.06 0.32 -0.75 4.39 3.74 2bo8C1 THR 346 HB -0.19 -0.12 0.21 -0.04 4.32 4.18 2bo8C1 THR 346 HG23 0.16 0.07 0.10 -0.04 1.22 1.51 2bo8C1 ARG 347 H -0.41 0.40 -0.30 -0.55 8.46 7.60 2bo8C1 ARG 347 HA -0.37 0.14 0.56 -0.75 4.34 3.92 2bo8C1 ARG 347 HB2 -0.94 0.02 0.10 -0.04 1.90 1.04 2bo8C1 ARG 347 HB3 -1.10 0.13 0.21 -0.04 1.80 0.99 2bo8C1 ARG 347 HG2 -2.33 0.03 -0.00 -0.04 1.67 -0.67 2bo8C1 ARG 347 HG3 -0.82 -0.07 -0.17 -0.04 1.67 0.58 2bo8C1 ARG 347 HD2 -0.33 0.05 0.15 -0.04 3.22 3.05 2bo8C1 ARG 347 HD3 -0.31 0.01 -0.05 -0.04 3.22 2.83 2bo8C1 VAL 348 H -0.82 0.69 0.04 -0.55 8.24 7.60 2bo8C1 VAL 348 HA -0.41 0.00 0.42 -0.75 4.13 3.39 2bo8C1 VAL 348 HB -0.89 0.11 0.18 -0.04 2.12 1.47 2bo8C1 VAL 348 HG13 -0.58 -0.03 -0.12 -0.04 0.97 0.20 2bo8C1 VAL 348 HG23 -1.49 0.05 0.02 -0.04 0.95 -0.52 2bo8C1 LEU 349 H -0.44 0.75 -0.11 -0.55 8.37 8.02 2bo8C1 LEU 349 HA -0.34 -0.06 0.41 -0.75 4.35 3.60 2bo8C1 LEU 349 HB2 -0.43 0.15 0.12 -0.04 1.64 1.44 2bo8C1 LEU 349 HB3 -1.26 -0.07 -0.05 -0.04 1.64 0.21 2bo8C1 LEU 349 HG -0.35 0.04 -0.02 -0.04 1.64 1.27 2bo8C1 LEU 349 HD13 -0.20 -0.00 -0.18 -0.04 0.93 0.51 2bo8C1 LEU 349 HD23 -0.27 -0.03 -0.04 -0.04 0.89 0.50 2bo8C1 ASN 350 H -0.25 0.74 -0.12 -0.55 8.53 8.36 2bo8C1 ASN 350 HA 0.04 -0.09 0.29 -0.75 4.76 4.25 2bo8C1 ASN 350 HB2 -0.12 0.16 0.15 -0.04 2.88 3.03 2bo8C1 ASN 350 HB3 -0.15 0.18 0.23 -0.04 2.79 3.01 2bo8C1 ASN 350 HD21 -0.02 0.00 -0.19 -0.04 7.03 6.78 2bo8C1 ASN 350 HD22 -0.07 0.26 -0.07 -0.04 7.74 7.81 2bo8C1 TYR 351 H -0.11 0.73 -0.06 -0.55 8.29 8.31 2bo8C1 TYR 351 HA -0.27 -0.00 0.49 -0.75 4.56 4.03 2bo8C1 TYR 351 HB2 -0.23 0.02 0.10 -0.04 3.06 2.91 2bo8C1 TYR 351 HB3 -0.27 0.12 0.18 -0.04 2.98 2.97 2bo8C1 TYR 351 HD2 -0.29 0.01 0.00 -0.04 7.15 6.84 2bo8C1 TYR 351 HE2 -0.15 0.12 0.06 -0.04 6.85 6.84 2bo8C1 THR 352 H -0.18 0.63 -0.20 -0.55 8.28 7.98 2bo8C1 THR 352 HA -0.43 -0.06 0.41 -0.75 4.39 3.56 2bo8C1 THR 352 HB -0.19 0.13 0.18 -0.04 4.32 4.39 2bo8C1 THR 352 HG23 -0.17 -0.04 -0.07 -0.04 1.22 0.90 2bo8C1 MET 353 H -0.22 0.61 -0.08 -0.55 8.47 8.24 2bo8C1 MET 353 HA -0.14 0.06 0.29 -0.75 4.52 3.96 2bo8C1 MET 353 HB2 0.05 0.04 0.04 -0.04 2.15 2.24 2bo8C1 MET 353 HB3 0.02 -0.03 0.02 -0.04 2.03 2.00 2bo8C1 MET 353 HG2 -0.39 0.28 0.05 -0.04 2.63 2.52 2bo8C1 MET 353 HG3 -0.06 -0.06 -0.04 -0.04 2.56 2.36 2bo8C1 MET 353 HE3 -0.23 -0.02 -0.04 -0.04 2.10 1.78 2bo8C1 THR 354 H -0.17 0.55 -0.02 -0.55 8.28 8.09 2bo8C1 THR 354 HA -0.12 0.18 0.75 -0.75 4.39 4.44 2bo8C1 THR 354 HB -0.09 -0.04 0.09 -0.04 4.32 4.24 2bo8C1 THR 354 HG23 -0.02 -0.01 -0.02 -0.04 1.22 1.13 2bo8C1 VAL 355 H -0.37 0.37 -0.12 -0.55 8.24 7.57 2bo8C1 VAL 355 HA -0.24 0.23 1.10 -0.75 4.13 4.47 2bo8C1 VAL 355 HB -0.69 0.16 0.23 -0.04 2.12 1.78 2bo8C1 VAL 355 HG13 -0.16 -0.02 -0.12 -0.04 0.97 0.63 2bo8C1 VAL 355 HG23 -0.78 -0.02 -0.13 -0.04 0.95 -0.02 2bo8C1 ALA 356 H -0.73 0.57 0.26 -0.55 8.40 7.94 2bo8C1 ALA 356 HA -0.31 0.03 0.26 -0.75 4.34 3.57 2bo8C1 ALA 356 HB3 -0.46 0.02 0.08 -0.04 1.41 1.01 2bo8C1 LEU 357 H -0.25 0.38 -0.26 -0.55 8.37 7.70 2bo8C1 LEU 357 HA -0.12 -0.03 0.40 -0.75 4.35 3.85 2bo8C1 LEU 357 HB2 -0.17 0.18 0.09 -0.04 1.64 1.70 2bo8C1 LEU 357 HB3 -0.15 0.08 -0.17 -0.04 1.64 1.36 2bo8C1 LEU 357 HG -0.10 -0.03 0.04 -0.04 1.64 1.52 2bo8C1 LEU 357 HD13 -0.10 -0.03 0.04 -0.04 0.93 0.81 2bo8C1 LEU 357 HD23 -0.10 0.02 0.05 -0.04 0.89 0.83 2bo8C1 ARG 358 H -0.22 0.63 -0.55 -0.55 8.46 7.77 2bo8C1 ARG 358 HA -0.18 0.15 0.88 -0.75 4.34 4.44 2bo8C1 ARG 358 HB2 -0.54 0.08 0.02 -0.04 1.90 1.42 2bo8C1 ARG 358 HB3 -0.51 -0.11 0.17 -0.04 1.80 1.31 2bo8C1 ARG 358 HG2 -0.34 -0.06 -0.02 -0.04 1.67 1.21 2bo8C1 ARG 358 HG3 -0.33 -0.02 -0.17 -0.04 1.67 1.11 2bo8C1 ARG 358 HD2 -0.63 0.10 0.14 -0.04 3.22 2.78 2bo8C1 ARG 358 HD3 -1.64 -0.11 0.05 -0.04 3.22 1.47 2bo8C1 GLY 359 H -0.07 0.53 -0.17 -0.55 8.43 8.18 2bo8C1 GLY 359 HA2 0.03 0.01 0.30 -0.51 4.01 3.84 2bo8C1 GLY 359 HA3 0.04 0.15 0.92 -0.51 4.01 4.60 2bo8C1 TYR 360 H 0.19 0.17 0.18 -0.55 8.29 8.28 2bo8C1 TYR 360 HA 0.02 0.09 0.52 -0.75 4.56 4.44 2bo8C1 TYR 360 HB2 0.02 0.07 0.21 -0.04 3.06 3.32 2bo8C1 TYR 360 HB3 0.03 -0.05 0.21 -0.04 2.98 3.13 2bo8C1 TYR 360 HD2 0.04 -0.07 0.05 -0.04 7.15 7.13 2bo8C1 TYR 360 HE2 0.07 0.30 0.12 -0.04 6.85 7.30 2bo8C1 ASP 361 H 0.18 0.11 0.00 -0.55 8.40 8.15 2bo8C1 ASP 361 HA -0.04 0.10 0.48 -0.75 4.63 4.42 2bo8C1 ASP 361 HB2 0.10 -0.00 0.12 -0.04 2.71 2.88 2bo8C1 ASP 361 HB3 0.06 0.06 0.00 -0.04 2.70 2.79 2bo8C1 TYR 362 H 0.15 0.12 -0.20 -0.55 8.29 7.81 2bo8C1 TYR 362 HA -0.01 0.02 0.32 -0.75 4.56 4.13 2bo8C1 TYR 362 HB2 -0.03 0.01 0.05 -0.04 3.06 3.06 2bo8C1 TYR 362 HB3 -0.06 0.14 -0.19 -0.04 2.98 2.83 2bo8C1 TYR 362 HD2 -0.06 0.02 -0.20 -0.04 7.15 6.88 2bo8C1 TYR 362 HE2 -0.06 -0.01 0.00 -0.04 6.85 6.74 2bo8C1 ALA 363 H 0.00 0.41 -0.47 -0.55 8.40 7.79 2bo8C1 ALA 363 HA 0.07 0.02 0.22 -0.75 4.34 3.90 2bo8C1 ALA 363 HB3 -0.07 0.03 0.05 -0.04 1.41 1.38 2bo8C1 GLN 364 H -0.25 0.51 -0.01 -0.55 8.47 8.17 2bo8C1 GLN 364 HA -0.29 0.04 0.61 -0.75 4.36 3.97 2bo8C1 GLN 364 HB2 -0.14 0.05 0.20 -0.04 2.15 2.22 2bo8C1 GLN 364 HB3 0.08 -0.02 0.00 -0.04 2.02 2.04 2bo8C1 GLN 364 HG2 -0.40 -0.04 0.04 -0.04 2.40 1.96 2bo8C1 GLN 364 HG3 -0.73 -0.01 0.05 -0.04 2.39 1.66 2bo8C1 GLN 364 HE21 0.31 0.02 -0.01 -0.04 6.97 7.24 2bo8C1 GLN 364 HE22 0.14 -0.02 -0.00 -0.04 7.69 7.77 2bo8C1 GLN 365 H -0.09 0.61 0.00 -0.55 8.47 8.44 2bo8C1 GLN 365 HA -0.01 0.00 0.36 -0.75 4.36 3.96 2bo8C1 GLN 365 HB2 -0.12 -0.04 0.05 -0.04 2.15 2.00 2bo8C1 GLN 365 HB3 -0.11 -0.02 0.08 -0.04 2.02 1.94 2bo8C1 GLN 365 HG2 -0.56 -0.11 0.13 -0.04 2.40 1.82 2bo8C1 GLN 365 HG3 -0.45 0.14 0.10 -0.04 2.39 2.14 2bo8C1 GLN 365 HE21 -0.19 -0.03 -0.05 -0.04 6.97 6.67 2bo8C1 GLN 365 HE22 -0.27 -0.01 -0.10 -0.04 7.69 7.27 2bo8C1 TYR 366 H -0.11 0.44 -0.47 -0.55 8.29 7.61 2bo8C1 TYR 366 HA -0.21 -0.02 0.16 -0.75 4.56 3.74 2bo8C1 TYR 366 HB2 -0.27 0.04 0.08 -0.04 3.06 2.86 2bo8C1 TYR 366 HB3 -0.12 0.16 0.18 -0.04 2.98 3.15 2bo8C1 TYR 366 HD2 -0.08 0.04 -0.08 -0.04 7.15 7.00 2bo8C1 TYR 366 HE2 -0.05 -0.02 -0.04 -0.04 6.85 6.70 2bo8C1 LEU 367 H -0.19 0.56 0.03 -0.55 8.37 8.22 2bo8C1 LEU 367 HA -0.47 -0.03 0.45 -0.75 4.35 3.55 2bo8C1 LEU 367 HB2 -1.15 0.10 0.21 -0.04 1.64 0.76 2bo8C1 LEU 367 HB3 -2.32 -0.03 0.04 -0.04 1.64 -0.72 2bo8C1 LEU 367 HG -0.39 0.18 0.14 -0.04 1.64 1.53 2bo8C1 LEU 367 HD13 -1.80 -0.01 0.00 -0.04 0.93 -0.92 2bo8C1 LEU 367 HD23 -0.65 -0.03 0.00 -0.04 0.89 0.17 2bo8C1 TYR 368 H -0.20 0.59 -0.14 -0.55 8.29 7.99 2bo8C1 TYR 368 HA 0.06 0.05 0.41 -0.75 4.56 4.33 2bo8C1 TYR 368 HB2 -0.06 0.09 0.14 -0.04 3.06 3.19 2bo8C1 TYR 368 HB3 -0.03 -0.03 0.02 -0.04 2.98 2.90 2bo8C1 TYR 368 HD2 0.01 0.05 -0.04 -0.04 7.15 7.13 2bo8C1 TYR 368 HE2 0.15 0.01 -0.03 -0.04 6.85 6.93 2bo8C1 ARG 369 H -0.13 0.65 -0.03 -0.55 8.46 8.39 2bo8C1 ARG 369 HA -0.10 -0.01 0.33 -0.75 4.34 3.80 2bo8C1 ARG 369 HB2 -0.12 0.03 0.11 -0.04 1.90 1.88 2bo8C1 ARG 369 HB3 -0.27 0.10 0.14 -0.04 1.80 1.73 2bo8C1 ARG 369 HG2 -0.17 -0.03 -0.06 -0.04 1.67 1.37 2bo8C1 ARG 369 HG3 -0.12 -0.04 0.05 -0.04 1.67 1.51 2bo8C1 ARG 369 HD2 -0.07 -0.01 -0.00 -0.04 3.22 3.10 2bo8C1 ARG 369 HD3 -0.10 0.01 -0.03 -0.04 3.22 3.06 2bo8C1 MET 370 H -0.45 0.63 -0.27 -0.55 8.47 7.83 2bo8C1 MET 370 HA -0.52 -0.09 0.42 -0.75 4.52 3.58 2bo8C1 MET 370 HB2 -0.85 0.05 0.13 -0.04 2.15 1.44 2bo8C1 MET 370 HB3 -0.34 0.26 0.24 -0.04 2.03 2.15 2bo8C1 MET 370 HG2 -0.84 -0.01 -0.14 -0.04 2.63 1.61 2bo8C1 MET 370 HG3 -0.50 -0.12 0.03 -0.04 2.56 1.93 2bo8C1 MET 370 HE3 0.17 0.02 -0.04 -0.04 2.10 2.21 2bo8C1 LEU 371 H -0.13 0.54 -0.03 -0.55 8.37 8.20 2bo8C1 LEU 371 HA -0.01 -0.01 0.34 -0.75 4.35 3.92 2bo8C1 LEU 371 HB2 -0.11 0.10 0.11 -0.04 1.64 1.69 2bo8C1 LEU 371 HB3 -0.13 -0.00 -0.02 -0.04 1.64 1.45 2bo8C1 LEU 371 HG 0.22 0.14 0.08 -0.04 1.64 2.04 2bo8C1 LEU 371 HD13 -0.14 -0.00 -0.01 -0.04 0.93 0.73 2bo8C1 LEU 371 HD23 0.13 -0.01 -0.15 -0.04 0.89 0.81 2bo8C1 GLY 372 H -0.12 0.50 -0.16 -0.55 8.43 8.10 2bo8C1 GLY 372 HA2 -0.06 0.04 0.51 -0.51 4.01 4.00 2bo8C1 GLY 372 HA3 -0.06 0.03 0.28 -0.51 4.01 3.75 2bo8C1 ARG 373 H -0.14 0.60 -0.10 -0.55 8.46 8.27 2bo8C1 ARG 373 HA 0.04 -0.00 0.50 -0.75 4.34 4.12 2bo8C1 ARG 373 HB2 -0.20 0.13 0.21 -0.04 1.90 2.00 2bo8C1 ARG 373 HB3 -0.00 -0.09 0.00 -0.04 1.80 1.67 2bo8C1 ARG 373 HG2 -0.03 -0.03 0.04 -0.04 1.67 1.60 2bo8C1 ARG 373 HG3 -0.10 0.09 0.03 -0.04 1.67 1.65 2bo8C1 ARG 373 HD2 -0.02 -0.06 -0.00 -0.04 3.22 3.10 2bo8C1 ARG 373 HD3 -0.04 -0.03 -0.01 -0.04 3.22 3.10 2bo8C1 TYR 374 H -0.07 0.61 -0.03 -0.55 8.29 8.25 2bo8C1 TYR 374 HA 0.03 -0.04 0.37 -0.75 4.56 4.15 2bo8C1 TYR 374 HB2 -0.02 0.11 0.15 -0.04 3.06 3.25 2bo8C1 TYR 374 HB3 -0.04 0.03 -0.08 -0.04 2.98 2.85 2bo8C1 TYR 374 HD2 0.02 0.00 -0.06 -0.04 7.15 7.07 2bo8C1 TYR 374 HE2 0.16 -0.05 -0.09 -0.04 6.85 6.83 2bo8C1 ARG 375 H 0.09 0.65 -0.11 -0.55 8.46 8.54 2bo8C1 ARG 375 HA 0.04 0.21 0.51 -0.75 4.34 4.35 2bo8C1 ARG 375 HB2 0.05 0.04 0.20 -0.04 1.90 2.15 2bo8C1 ARG 375 HB3 0.06 -0.03 -0.02 -0.04 1.80 1.77 2bo8C1 ARG 375 HG2 0.04 0.05 0.13 -0.04 1.67 1.85 2bo8C1 ARG 375 HG3 -0.02 0.02 0.05 -0.04 1.67 1.69 2bo8C1 ARG 375 HD2 0.11 -0.06 0.00 -0.04 3.22 3.23 2bo8C1 ARG 375 HD3 0.18 0.24 0.07 -0.04 3.22 3.67 2bo8C1 TYR 376 H 0.20 0.52 -0.10 -0.55 8.29 8.36 2bo8C1 TYR 376 HA 0.02 0.02 0.44 -0.75 4.56 4.29 2bo8C1 TYR 376 HB2 0.02 0.05 0.15 -0.04 3.06 3.24 2bo8C1 TYR 376 HB3 0.03 0.03 0.15 -0.04 2.98 3.15 2bo8C1 TYR 376 HD2 0.04 0.01 -0.06 -0.04 7.15 7.09 2bo8C1 TYR 376 HE2 0.04 -0.03 -0.03 -0.04 6.85 6.79 2bo8C1 GLN 377 H 0.17 0.63 -0.10 -0.55 8.47 8.63 2bo8C1 GLN 377 HA 0.02 -0.03 0.44 -0.75 4.36 4.04 2bo8C1 GLN 377 HB2 0.15 -0.08 0.10 -0.04 2.15 2.27 2bo8C1 GLN 377 HB3 0.14 0.13 0.16 -0.04 2.02 2.42 2bo8C1 GLN 377 HG2 0.05 0.08 -0.20 -0.04 2.40 2.29 2bo8C1 GLN 377 HG3 0.07 -0.08 0.01 -0.04 2.39 2.35 2bo8C1 GLN 377 HE21 0.20 -0.11 -0.04 -0.04 6.97 6.98 2bo8C1 GLN 377 HE22 0.18 0.01 -0.04 -0.04 7.69 7.80 2bo8C1 ALA 378 H 0.04 0.60 -0.08 -0.55 8.40 8.41 2bo8C1 ALA 378 HA -0.01 -0.04 0.44 -0.75 4.34 3.98 2bo8C1 ALA 378 HB3 -0.02 0.01 0.19 -0.04 1.41 1.56 2bo8C1 ALA 379 H -0.06 0.53 -0.08 -0.55 8.40 8.25 2bo8C1 ALA 379 HA 0.05 0.05 0.37 -0.75 4.34 4.05 2bo8C1 ALA 379 HB3 -0.09 -0.04 0.08 -0.04 1.41 1.32 2bo8C1 LEU 380 H -0.14 0.29 -0.55 -0.55 8.37 7.43 2bo8C1 LEU 380 HA -0.13 -0.02 0.62 -0.75 4.35 4.07 2bo8C1 LEU 380 HB2 -0.11 0.20 0.19 -0.04 1.64 1.87 2bo8C1 LEU 380 HB3 -0.08 -0.13 -0.00 -0.04 1.64 1.39 2bo8C1 LEU 380 HG -0.60 0.20 0.02 -0.04 1.64 1.22 2bo8C1 LEU 380 HD13 -0.02 -0.06 -0.01 -0.04 0.93 0.80 2bo8C1 LEU 380 HD23 -0.24 -0.03 0.01 -0.04 0.89 0.59 2bo8C1 GLU 381 H -0.04 0.32 -0.09 -0.55 8.60 8.24 2bo8C1 GLU 381 HA -0.03 0.08 0.97 -0.75 4.29 4.55 2bo8C1 GLU 381 HB2 -0.03 -0.14 0.10 -0.04 2.09 1.97 2bo8C1 GLU 381 HB3 -0.04 -0.16 0.02 -0.04 1.99 1.77 2bo8C1 GLU 381 HG2 -0.05 0.23 0.09 -0.04 2.34 2.57 2bo8C1 GLU 381 HG3 -0.07 -0.19 0.05 -0.04 2.34 2.10