============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. PHE 3 1.000 -20.980 80.363 41.465 -99.200 -91.000 TRP 16 1.040 -39.153 64.184 60.852 -99.200 -91.000 TRP6 16 1.020 -37.448 65.441 59.825 -99.200 -91.000 HIS 17 0.900 -43.448 66.272 53.539 -99.200 -91.000 TYR 19 0.840 -38.573 65.081 48.617 -99.200 -91.000 TYR 40 0.840 -25.378 60.861 46.992 -99.200 -91.000 PHE 50 1.000 -35.314 58.633 45.495 -99.200 -91.000 TYR 51 0.840 -27.625 62.630 42.542 -99.200 -91.000 HIS 63 0.900 -22.343 39.248 34.901 -99.200 -91.000 HIS 69 0.900 -17.055 40.886 48.415 -99.200 -91.000 TYR 74 0.840 -16.343 44.701 37.217 -99.200 -91.000 TRP 80 1.040 -33.260 56.411 40.527 -99.200 -91.000 TRP6 80 1.020 -31.339 55.868 41.835 -99.200 -91.000 TYR 89 0.840 -33.692 49.022 29.893 -99.200 -91.000 TRP 98 1.040 -13.792 51.934 44.572 -99.200 -91.000 TRP6 98 1.020 -12.872 53.148 46.380 -99.200 -91.000 HIS 104 0.900 -27.099 72.862 40.101 -99.200 -91.000 TRP 126 1.040 -16.377 63.354 36.539 -99.200 -91.000 TRP6 126 1.020 -16.946 62.910 34.283 -99.200 -91.000 TYR 127 0.840 -19.015 73.526 38.234 -99.200 -91.000 TRP 138 1.040 -5.048 62.115 52.472 -99.200 -91.000 TRP6 138 1.020 -6.889 62.832 51.179 -99.200 -91.000 PHE 161 1.000 -12.538 64.296 48.927 -99.200 -91.000 TYR 175 0.840 -8.872 68.083 49.342 -99.200 -91.000 TYR 176 0.840 -13.051 74.666 52.940 -99.200 -91.000 PHE 177 1.000 -13.197 69.765 45.624 -99.200 -91.000 TRP 185 1.040 -5.110 70.354 50.867 -99.200 -91.000 TRP6 185 1.020 -4.180 69.312 52.786 -99.200 -91.000 HIS 194 0.900 -8.860 58.547 65.111 -99.200 -91.000 TYR 201 0.840 -28.068 70.811 58.932 -99.200 -91.000 TRP 215 1.040 -9.377 54.826 65.591 -99.200 -91.000 TRP6 215 1.020 -7.455 55.412 66.771 -99.200 -91.000 HIS 232 0.900 -11.981 72.242 60.172 -99.200 -91.000 TYR 236 0.840 -16.661 63.050 69.131 -99.200 -91.000 TYR 260 0.840 -21.536 56.404 76.995 -99.200 -91.000 PHE 271 1.000 -30.816 62.463 59.189 -99.200 -91.000 TYR 273 0.840 -31.712 68.188 58.715 -99.200 -91.000 TRP 280 1.040 -37.225 67.207 65.173 -99.200 -91.000 TRP6 280 1.020 -38.838 65.526 65.515 -99.200 -91.000 TYR 293 0.840 -32.994 56.498 60.517 -99.200 -91.000 TRP 321 1.040 -33.493 43.153 57.059 -99.200 -91.000 TRP6 321 1.020 -32.422 42.532 59.106 -99.200 -91.000 TYR 324 0.840 -23.621 53.678 54.587 -99.200 -91.000 PHE 328 1.000 -33.234 65.002 50.446 -99.200 -91.000 TYR 331 0.840 -29.427 73.411 50.535 -99.200 -91.000 TRP 332 1.040 -31.315 76.282 43.966 -99.200 -91.000 TRP6 332 1.020 -30.027 74.409 44.655 -99.200 -91.000 TYR 338 0.840 -32.045 77.233 52.777 -99.200 -91.000 PHE 342 1.000 -35.470 61.284 57.663 -99.200 -91.000 TYR 343 0.840 -29.636 59.264 52.218 -99.200 -91.000 TRP 357 1.040 -25.696 32.717 46.011 -99.200 -91.000 TRP6 357 1.020 -23.811 32.223 47.362 -99.200 -91.000 TRP 358 1.040 -30.107 39.453 45.091 -99.200 -91.000 TRP6 358 1.020 -31.371 40.914 46.449 -99.200 -91.000 PHE 372 1.000 -46.974 69.610 66.646 -99.200 -91.000 TRP 376 1.040 -48.478 53.398 57.241 -99.200 -91.000 TRP6 376 1.020 -49.024 53.371 54.949 -99.200 -91.000 TRP 378 1.040 -43.095 55.715 55.309 -99.200 -91.000 TRP6 378 1.020 -44.597 55.794 53.499 -99.200 -91.000 TYR 386 0.840 -43.178 37.129 46.141 -99.200 -91.000 PHE 387 1.000 -35.764 39.649 44.389 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2b8hB1 ARG 82 HA -0.03 -0.06 0.18 -0.75 4.34 3.67 2b8hB1 ARG 82 HB2 0.00 -0.01 0.04 -0.04 1.90 1.90 2b8hB1 ARG 82 HB3 0.01 -0.03 -0.10 -0.04 1.80 1.64 2b8hB1 ARG 82 HG2 -0.03 -0.02 0.03 -0.04 1.67 1.61 2b8hB1 ARG 82 HG3 -0.01 -0.00 0.03 -0.04 1.67 1.65 2b8hB1 ARG 82 HD2 0.01 -0.00 -0.03 -0.04 3.22 3.16 2b8hB1 ARG 82 HD3 -0.00 -0.01 -0.05 -0.04 3.22 3.12 2b8hB1 GLU 83 H 0.06 0.19 0.06 -0.55 8.60 8.36 2b8hB1 GLU 83 HA -0.06 0.16 0.94 -0.75 4.29 4.57 2b8hB1 GLU 83 HB2 0.09 -0.02 0.05 -0.04 2.09 2.17 2b8hB1 GLU 83 HB3 0.11 0.10 -0.01 -0.04 1.99 2.14 2b8hB1 GLU 83 HG2 0.02 0.01 -0.13 -0.04 2.34 2.21 2b8hB1 GLU 83 HG3 0.05 -0.03 -0.01 -0.04 2.34 2.31 2b8hB1 PHE 84 H -0.02 0.12 0.04 -0.55 8.34 7.93 2b8hB1 PHE 84 HA 0.19 0.08 0.64 -0.75 4.62 4.78 2b8hB1 PHE 84 HB2 0.09 -0.00 0.02 -0.04 3.15 3.22 2b8hB1 PHE 84 HB3 0.11 -0.11 -0.04 -0.04 3.06 2.99 2b8hB1 PHE 84 HD2 0.11 0.03 -0.04 -0.04 7.28 7.34 2b8hB1 PHE 84 HE2 0.11 -0.03 -0.02 -0.04 7.38 7.40 2b8hB1 PHE 84 HZ 0.05 0.02 -0.03 -0.04 7.32 7.32 2b8hB1 ASN 85 H 0.43 0.44 0.30 -0.55 8.53 9.17 2b8hB1 ASN 85 HA 0.19 0.11 0.65 -0.75 4.76 4.95 2b8hB1 ASN 85 HB2 0.45 -0.00 0.01 -0.04 2.88 3.30 2b8hB1 ASN 85 HB3 0.12 -0.04 -0.04 -0.04 2.79 2.79 2b8hB1 ASN 85 HD21 -0.31 0.02 -0.09 -0.04 7.03 6.60 2b8hB1 ASN 85 HD22 -0.41 -0.03 -0.16 -0.04 7.74 7.10 2b8hB1 ASN 86 H 0.09 0.24 0.23 -0.55 8.53 8.55 2b8hB1 ASN 86 HA 0.04 0.03 0.91 -0.75 4.76 4.99 2b8hB1 ASN 86 HB2 0.07 0.04 0.10 -0.04 2.88 3.05 2b8hB1 ASN 86 HB3 0.05 0.02 -0.05 -0.04 2.79 2.78 2b8hB1 ASN 86 HD21 0.08 0.03 -0.02 -0.04 7.03 7.07 2b8hB1 ASN 86 HD22 0.07 0.00 -0.01 -0.04 7.74 7.76 2b8hB1 LEU 87 H 0.03 0.17 0.08 -0.55 8.37 8.10 2b8hB1 LEU 87 HA 0.22 0.16 0.56 -0.75 4.35 4.54 2b8hB1 LEU 87 HB2 0.05 -0.10 0.18 -0.04 1.64 1.74 2b8hB1 LEU 87 HB3 0.15 -0.03 -0.04 -0.04 1.64 1.67 2b8hB1 LEU 87 HG -0.08 0.05 0.04 -0.04 1.64 1.60 2b8hB1 LEU 87 HD13 -0.05 0.02 -0.19 -0.04 0.93 0.67 2b8hB1 LEU 87 HD23 -0.31 0.02 -0.09 -0.04 0.89 0.47 2b8hB1 THR 88 H 0.18 0.39 0.17 -0.55 8.28 8.47 2b8hB1 THR 88 HA 0.04 0.18 0.79 -0.75 4.39 4.65 2b8hB1 THR 88 HB 0.01 0.01 0.14 -0.04 4.32 4.43 2b8hB1 THR 88 HG23 0.05 -0.00 -0.17 -0.04 1.22 1.05 2b8hB1 LYS 89 H -0.06 0.06 -0.00 -0.55 8.42 7.86 2b8hB1 LYS 89 HA -0.17 0.23 0.90 -0.75 4.32 4.52 2b8hB1 LYS 89 HB2 -1.74 -0.06 -0.04 -0.04 1.87 -0.01 2b8hB1 LYS 89 HB3 -0.52 0.08 0.07 -0.04 1.79 1.37 2b8hB1 LYS 89 HG2 -0.24 0.14 -0.16 -0.04 1.46 1.15 2b8hB1 LYS 89 HG3 -0.33 -0.15 -0.23 -0.04 1.46 0.71 2b8hB1 LYS 89 HD2 -0.73 -0.04 -0.37 -0.04 1.69 0.50 2b8hB1 LYS 89 HD3 -0.27 -0.05 -0.64 -0.04 1.68 0.68 2b8hB1 LYS 89 HE2 -0.09 -0.04 -0.09 -0.04 2.99 2.73 2b8hB1 LYS 89 HE3 -0.04 -0.04 -0.09 -0.04 2.99 2.78 2b8hB1 GLY 90 H -0.11 0.20 0.20 -0.55 8.43 8.18 2b8hB1 GLY 90 HA2 0.07 0.11 0.75 -0.51 4.01 4.43 2b8hB1 GLY 90 HA3 0.01 0.07 0.37 -0.51 4.01 3.95 2b8hB1 LEU 91 H 0.07 0.11 0.14 -0.55 8.37 8.14 2b8hB1 LEU 91 HA 0.04 0.21 0.60 -0.75 4.35 4.45 2b8hB1 LEU 91 HB2 0.04 -0.04 0.09 -0.04 1.64 1.69 2b8hB1 LEU 91 HB3 -0.06 0.11 0.11 -0.04 1.64 1.76 2b8hB1 LEU 91 HG 0.19 -0.05 0.01 -0.04 1.64 1.74 2b8hB1 LEU 91 HD13 0.06 -0.00 -0.06 -0.04 0.93 0.88 2b8hB1 LEU 91 HD23 0.11 -0.00 -0.08 -0.04 0.89 0.88 2b8hB1 CYS 92 H -0.08 0.52 0.19 -0.55 8.50 8.57 2b8hB1 CYS 92 HA -0.07 0.04 0.61 -0.75 4.58 4.40 2b8hB1 CYS 92 HB2 -0.17 -0.01 -0.16 -0.04 2.97 2.58 2b8hB1 CYS 92 HB3 -0.12 -0.01 -0.02 -0.04 2.97 2.78 2b8hB1 THR 93 H -0.08 0.07 0.09 -0.55 8.28 7.81 2b8hB1 THR 93 HA -0.05 0.07 0.50 -0.75 4.39 4.15 2b8hB1 THR 93 HB -0.07 -0.05 0.11 -0.04 4.32 4.27 2b8hB1 THR 93 HG23 -0.03 0.01 -0.18 -0.04 1.22 0.98 2b8hB1 ILE 94 H -0.06 0.17 0.13 -0.55 8.25 7.94 2b8hB1 ILE 94 HA -0.55 0.12 0.65 -0.75 4.18 3.65 2b8hB1 ILE 94 HB -0.15 0.01 0.09 -0.04 1.89 1.80 2b8hB1 ILE 94 HG12 -0.71 -0.07 -0.06 -0.04 1.49 0.61 2b8hB1 ILE 94 HG13 -0.27 0.15 -0.00 -0.04 1.21 1.05 2b8hB1 ILE 94 HG23 -1.92 -0.00 -0.19 -0.04 0.93 -1.22 2b8hB1 ILE 94 HD13 -0.15 0.02 -0.02 -0.04 0.88 0.68 2b8hB1 ASN 95 H -0.43 0.76 0.31 -0.55 8.53 8.62 2b8hB1 ASN 95 HA -0.12 0.13 0.84 -0.75 4.76 4.85 2b8hB1 ASN 95 HB2 -0.64 0.09 -0.42 -0.04 2.88 1.86 2b8hB1 ASN 95 HB3 -1.92 -0.10 -0.21 -0.04 2.79 0.52 2b8hB1 ASN 95 HD21 -0.09 -0.13 -0.04 -0.04 7.03 6.72 2b8hB1 ASN 95 HD22 -0.31 0.78 0.06 -0.04 7.74 8.22 2b8hB1 SER 96 H -0.63 0.31 0.29 -0.55 8.46 7.88 2b8hB1 SER 96 HA -0.33 0.07 0.12 -0.75 4.49 3.60 2b8hB1 SER 96 HB2 0.05 0.03 0.23 -0.04 3.95 4.22 2b8hB1 SER 96 HB3 0.00 0.25 0.35 -0.04 3.93 4.49 2b8hB1 TRP 97 H 0.12 0.28 0.13 -0.55 7.97 7.95 2b8hB1 TRP 97 HA -0.20 0.21 0.92 -0.75 4.62 4.80 2b8hB1 TRP 97 HB2 0.04 -0.01 -0.07 -0.04 3.23 3.16 2b8hB1 TRP 97 HB3 -0.07 0.03 -0.16 -0.04 3.23 2.99 2b8hB1 TRP 97 HD1 -0.21 0.01 -0.22 -0.04 7.22 6.76 2b8hB1 TRP 97 HE1 -1.51 0.01 -0.32 -0.04 10.20 8.34 2b8hB1 TRP 97 HE3 -0.20 0.01 -0.60 -0.04 7.59 6.76 2b8hB1 TRP 97 HZ2 -0.47 -0.01 -0.22 -0.04 7.44 6.70 2b8hB1 TRP 97 HZ3 -0.25 0.11 -0.42 -0.04 7.13 6.52 2b8hB1 TRP 97 HH2 -0.34 -0.03 -0.20 -0.04 7.19 6.58 2b8hB1 HIS 98 H -0.16 0.78 0.28 -0.55 8.41 8.76 2b8hB1 HIS 98 HA 0.15 0.13 0.85 -0.75 4.63 5.00 2b8hB1 HIS 98 HB2 0.07 0.01 0.04 -0.04 3.26 3.35 2b8hB1 HIS 98 HB3 0.03 -0.08 -0.11 -0.04 3.20 2.99 2b8hB1 HIS 98 HD2 -0.07 -0.04 -0.32 -0.04 6.97 6.51 2b8hB1 HIS 98 HE1 0.18 -0.03 -0.07 -0.04 7.75 7.79 2b8hB1 ILE 99 H 0.23 0.11 0.13 -0.55 8.25 8.17 2b8hB1 ILE 99 HA -0.22 0.09 0.58 -0.75 4.18 3.87 2b8hB1 ILE 99 HB -0.19 0.00 0.10 -0.04 1.89 1.77 2b8hB1 ILE 99 HG12 -0.83 -0.00 -0.06 -0.04 1.49 0.55 2b8hB1 ILE 99 HG13 -0.31 0.00 -0.19 -0.04 1.21 0.67 2b8hB1 ILE 99 HG23 0.15 0.00 0.00 -0.04 0.93 1.05 2b8hB1 ILE 99 HD13 -1.26 0.05 0.04 -0.04 0.88 -0.33 2b8hB1 TYR 100 H -0.04 0.52 0.43 -0.55 8.29 8.65 2b8hB1 TYR 100 HA 0.08 0.14 0.77 -0.75 4.56 4.80 2b8hB1 TYR 100 HB2 -0.09 -0.03 -0.15 -0.04 3.06 2.75 2b8hB1 TYR 100 HB3 -0.04 0.00 -0.29 -0.04 2.98 2.61 2b8hB1 TYR 100 HD2 0.17 0.01 -0.15 -0.04 7.15 7.14 2b8hB1 TYR 100 HE2 0.10 -0.02 -0.14 -0.04 6.85 6.75 2b8hB1 GLY 101 H 0.06 0.39 0.26 -0.55 8.43 8.59 2b8hB1 GLY 101 HA2 -0.13 0.18 0.63 -0.51 4.01 4.18 2b8hB1 GLY 101 HA3 0.01 -0.02 0.23 -0.51 4.01 3.72 2b8hB1 LYS 102 H 0.04 0.35 0.15 -0.55 8.42 8.42 2b8hB1 LYS 102 HA 0.13 0.24 0.66 -0.75 4.32 4.60 2b8hB1 LYS 102 HB2 -0.12 -0.01 -0.09 -0.04 1.87 1.61 2b8hB1 LYS 102 HB3 0.07 0.02 0.09 -0.04 1.79 1.94 2b8hB1 LYS 102 HG2 0.12 -0.17 0.13 -0.04 1.46 1.50 2b8hB1 LYS 102 HG3 0.05 0.05 0.29 -0.04 1.46 1.81 2b8hB1 LYS 102 HD2 0.33 -0.02 0.01 -0.04 1.69 1.96 2b8hB1 LYS 102 HD3 0.23 -0.02 -0.01 -0.04 1.68 1.85 2b8hB1 LYS 102 HE2 0.25 -0.01 -0.09 -0.04 2.99 3.09 2b8hB1 LYS 102 HE3 0.34 0.01 -0.04 -0.04 2.99 3.27 2b8hB1 ASP 103 H 0.22 0.26 0.26 -0.55 8.40 8.59 2b8hB1 ASP 103 HA 0.21 0.61 1.24 -0.75 4.63 5.94 2b8hB1 ASP 103 HB2 0.32 0.03 -0.32 -0.04 2.71 2.70 2b8hB1 ASP 103 HB3 0.68 0.05 -0.13 -0.04 2.70 3.26 2b8hB1 ASN 104 H 0.13 0.11 0.12 -0.55 8.53 8.34 2b8hB1 ASN 104 HA 0.10 0.08 0.38 -0.75 4.76 4.57 2b8hB1 ASN 104 HB2 0.09 0.24 -0.29 -0.04 2.88 2.88 2b8hB1 ASN 104 HB3 0.09 -0.08 0.14 -0.04 2.79 2.90 2b8hB1 ASN 104 HD21 0.13 0.01 -0.12 -0.04 7.03 7.01 2b8hB1 ASN 104 HD22 0.10 0.12 -0.25 -0.04 7.74 7.67 2b8hB1 ALA 105 H 0.08 -0.01 -0.15 -0.55 8.40 7.78 2b8hB1 ALA 105 HA -0.00 0.14 0.18 -0.75 4.34 3.90 2b8hB1 ALA 105 HB3 -0.03 0.05 0.11 -0.04 1.41 1.50 2b8hB1 VAL 106 H 0.05 0.03 -0.20 -0.55 8.24 7.58 2b8hB1 VAL 106 HA -0.02 0.14 0.24 -0.75 4.13 3.73 2b8hB1 VAL 106 HB 0.12 -0.09 -0.08 -0.04 2.12 2.03 2b8hB1 VAL 106 HG13 0.10 0.02 -0.23 -0.04 0.97 0.82 2b8hB1 VAL 106 HG23 0.02 0.02 -0.23 -0.04 0.95 0.72 2b8hB1 ARG 107 H 0.13 0.05 -0.23 -0.55 8.46 7.85 2b8hB1 ARG 107 HA 0.19 -0.01 0.38 -0.75 4.34 4.15 2b8hB1 ARG 107 HB2 0.10 0.14 0.09 -0.04 1.90 2.19 2b8hB1 ARG 107 HB3 0.10 0.04 -0.08 -0.04 1.80 1.82 2b8hB1 ARG 107 HG2 0.14 0.04 -0.18 -0.04 1.67 1.63 2b8hB1 ARG 107 HG3 0.13 -0.17 -0.26 -0.04 1.67 1.33 2b8hB1 ARG 107 HD2 0.09 0.00 -0.06 -0.04 3.22 3.21 2b8hB1 ARG 107 HD3 0.10 0.01 0.03 -0.04 3.22 3.31 2b8hB1 ILE 108 H 0.06 0.56 -0.18 -0.55 8.25 8.14 2b8hB1 ILE 108 HA 0.02 0.05 0.26 -0.75 4.18 3.76 2b8hB1 ILE 108 HB 0.01 0.06 0.03 -0.04 1.89 1.95 2b8hB1 ILE 108 HG12 0.03 -0.04 -0.02 -0.04 1.49 1.41 2b8hB1 ILE 108 HG13 0.05 -0.04 0.01 -0.04 1.21 1.18 2b8hB1 ILE 108 HG23 -0.01 -0.02 -0.17 -0.04 0.93 0.69 2b8hB1 ILE 108 HD13 0.05 0.04 -0.03 -0.04 0.88 0.90 2b8hB1 GLY 109 H 0.01 0.67 -0.12 -0.55 8.43 8.45 2b8hB1 GLY 109 HA2 -0.05 -0.02 0.44 -0.51 4.01 3.87 2b8hB1 GLY 109 HA3 -0.04 0.04 0.31 -0.51 4.01 3.81 2b8hB1 GLU 110 H 0.07 0.39 -0.57 -0.55 8.60 7.94 2b8hB1 GLU 110 HA -0.28 0.02 0.54 -0.75 4.29 3.81 2b8hB1 GLU 110 HB2 -0.22 -0.00 0.10 -0.04 2.09 1.92 2b8hB1 GLU 110 HB3 -0.14 0.12 0.06 -0.04 1.99 2.00 2b8hB1 GLU 110 HG2 -1.01 0.01 -0.00 -0.04 2.34 1.29 2b8hB1 GLU 110 HG3 -0.41 -0.11 -0.03 -0.04 2.34 1.76 2b8hB1 ASP 111 H -0.05 0.41 -0.33 -0.55 8.40 7.88 2b8hB1 ASP 111 HA -0.06 0.11 0.65 -0.75 4.63 4.57 2b8hB1 ASP 111 HB2 -0.10 0.08 -0.22 -0.04 2.71 2.42 2b8hB1 ASP 111 HB3 -0.06 -0.00 0.00 -0.04 2.70 2.59 2b8hB1 SER 112 H -0.04 0.40 0.10 -0.55 8.46 8.38 2b8hB1 SER 112 HA -0.00 0.06 0.33 -0.75 4.49 4.13 2b8hB1 SER 112 HB2 0.01 -0.12 0.13 -0.04 3.95 3.93 2b8hB1 SER 112 HB3 -0.01 0.22 0.01 -0.04 3.93 4.11 2b8hB1 ASP 113 H -0.00 0.17 0.04 -0.55 8.40 8.07 2b8hB1 ASP 113 HA -0.10 0.13 0.41 -0.75 4.63 4.31 2b8hB1 ASP 113 HB2 -0.15 -0.02 0.23 -0.04 2.71 2.72 2b8hB1 ASP 113 HB3 -0.27 -0.01 0.13 -0.04 2.70 2.51 2b8hB1 VAL 114 H -0.13 0.50 0.32 -0.55 8.24 8.38 2b8hB1 VAL 114 HA -0.24 0.12 0.75 -0.75 4.13 4.00 2b8hB1 VAL 114 HB -0.14 -0.02 0.13 -0.04 2.12 2.04 2b8hB1 VAL 114 HG13 -0.22 0.06 -0.15 -0.04 0.97 0.61 2b8hB1 VAL 114 HG23 -0.11 -0.02 -0.32 -0.04 0.95 0.46 2b8hB1 LEU 115 H -0.30 0.69 0.28 -0.55 8.37 8.50 2b8hB1 LEU 115 HA -0.19 0.07 0.59 -0.75 4.35 4.07 2b8hB1 LEU 115 HB2 -0.31 0.09 0.02 -0.04 1.64 1.40 2b8hB1 LEU 115 HB3 -0.19 0.06 -0.02 -0.04 1.64 1.45 2b8hB1 LEU 115 HG -0.25 -0.13 -0.21 -0.04 1.64 1.00 2b8hB1 LEU 115 HD13 -0.20 0.01 -0.22 -0.04 0.93 0.48 2b8hB1 LEU 115 HD23 -0.15 -0.03 -0.17 -0.04 0.89 0.50 2b8hB1 VAL 116 H -0.15 0.46 0.30 -0.55 8.24 8.30 2b8hB1 VAL 116 HA -0.18 -0.01 0.70 -0.75 4.13 3.89 2b8hB1 VAL 116 HB -0.06 -0.06 0.06 -0.04 2.12 2.01 2b8hB1 VAL 116 HG13 -0.02 -0.00 0.03 -0.04 0.97 0.93 2b8hB1 VAL 116 HG23 -0.19 -0.03 -0.22 -0.04 0.95 0.46 2b8hB1 THR 117 H -0.08 0.10 0.29 -0.55 8.28 8.04 2b8hB1 THR 117 HA -0.03 0.33 0.82 -0.75 4.39 4.75 2b8hB1 THR 117 HB 0.01 0.03 -0.09 -0.04 4.32 4.23 2b8hB1 THR 117 HG23 -0.21 0.02 -0.39 -0.04 1.22 0.60 2b8hB1 ARG 118 H 0.02 0.65 0.29 -0.55 8.46 8.87 2b8hB1 ARG 118 HA -0.01 -0.03 -0.05 -0.75 4.34 3.49 2b8hB1 ARG 118 HB2 -0.01 0.12 0.02 -0.04 1.90 1.98 2b8hB1 ARG 118 HB3 -0.08 -0.07 0.14 -0.04 1.80 1.75 2b8hB1 ARG 118 HG2 -0.03 -0.12 -0.04 -0.04 1.67 1.44 2b8hB1 ARG 118 HG3 -0.01 0.16 0.02 -0.04 1.67 1.80 2b8hB1 ARG 118 HD2 -0.06 0.02 0.01 -0.04 3.22 3.16 2b8hB1 ARG 118 HD3 -0.07 0.10 0.01 -0.04 3.22 3.22 2b8hB1 GLU 119 H -0.10 0.11 0.13 -0.55 8.60 8.19 2b8hB1 GLU 119 HA 0.05 0.06 0.40 -0.75 4.29 4.04 2b8hB1 GLU 119 HB2 0.11 0.03 0.06 -0.04 2.09 2.26 2b8hB1 GLU 119 HB3 0.20 0.03 0.22 -0.04 1.99 2.40 2b8hB1 GLU 119 HG2 0.13 0.03 0.07 -0.04 2.34 2.53 2b8hB1 GLU 119 HG3 -0.25 -0.00 0.12 -0.04 2.34 2.16 2b8hB1 PRO 120 HA -0.04 0.21 0.62 -0.51 4.44 4.72 2b8hB1 PRO 120 HB2 -0.26 0.01 -0.06 -0.04 2.28 1.93 2b8hB1 PRO 120 HB3 -0.00 -0.04 -0.05 -0.04 2.02 1.89 2b8hB1 PRO 120 HG2 0.04 0.04 -0.15 -0.04 2.03 1.93 2b8hB1 PRO 120 HG3 0.03 -0.00 -0.07 -0.04 2.03 1.95 2b8hB1 PRO 120 HD2 0.12 0.06 0.13 -0.04 3.68 3.96 2b8hB1 PRO 120 HD3 0.03 -0.02 -0.09 -0.04 3.65 3.53 2b8hB1 TYR 121 H -0.43 0.59 0.28 -0.55 8.29 8.18 2b8hB1 TYR 121 HA -1.69 0.05 0.15 -0.75 4.56 2.32 2b8hB1 TYR 121 HB2 -0.30 -0.17 0.22 -0.04 3.06 2.77 2b8hB1 TYR 121 HB3 -0.37 0.37 0.19 -0.04 2.98 3.13 2b8hB1 TYR 121 HD2 -0.17 0.17 -0.43 -0.04 7.15 6.69 2b8hB1 TYR 121 HE2 -0.25 0.01 -0.29 -0.04 6.85 6.28 2b8hB1 VAL 122 H -0.14 0.31 0.16 -0.55 8.24 8.02 2b8hB1 VAL 122 HA -0.18 0.29 0.95 -0.75 4.13 4.43 2b8hB1 VAL 122 HB -1.84 -0.02 -0.11 -0.04 2.12 0.11 2b8hB1 VAL 122 HG13 -0.39 0.00 -0.19 -0.04 0.97 0.35 2b8hB1 VAL 122 HG23 -0.27 0.00 -0.33 -0.04 0.95 0.31 2b8hB1 SER 123 H 0.02 0.59 0.23 -0.55 8.46 8.75 2b8hB1 SER 123 HA 0.07 0.09 0.67 -0.75 4.49 4.57 2b8hB1 SER 123 HB2 -0.18 0.06 -0.21 -0.04 3.95 3.58 2b8hB1 SER 123 HB3 -0.43 -0.04 -0.13 -0.04 3.93 3.30 2b8hB1 CYS 124 H 0.27 0.19 0.21 -0.55 8.50 8.62 2b8hB1 CYS 124 HA 0.10 0.16 1.05 -0.75 4.58 5.14 2b8hB1 CYS 124 HB2 0.50 -0.04 0.19 -0.04 2.97 3.58 2b8hB1 CYS 124 HB3 0.28 0.20 0.03 -0.04 2.97 3.43 2b8hB1 ASP 125 H -0.09 0.72 0.40 -0.55 8.40 8.89 2b8hB1 ASP 125 HA -0.85 0.08 0.63 -0.75 4.63 3.73 2b8hB1 ASP 125 HB2 -0.23 -0.04 0.12 -0.04 2.71 2.51 2b8hB1 ASP 125 HB3 -0.52 0.04 0.10 -0.04 2.70 2.28 2b8hB1 PRO 126 HA -0.78 0.06 0.47 -0.51 4.44 3.68 2b8hB1 PRO 126 HB2 -0.41 0.03 -0.02 -0.04 2.28 1.85 2b8hB1 PRO 126 HB3 -0.44 0.08 0.10 -0.04 2.02 1.73 2b8hB1 PRO 126 HG2 -0.58 0.27 0.04 -0.04 2.03 1.73 2b8hB1 PRO 126 HG3 -1.76 -0.00 0.05 -0.04 2.03 0.27 2b8hB1 PRO 126 HD2 -1.12 0.13 0.11 -0.04 3.68 2.75 2b8hB1 PRO 126 HD3 -2.15 0.01 0.07 -0.04 3.65 1.54 2b8hB1 ASP 127 H -0.30 -0.02 -0.44 -0.55 8.40 7.09 2b8hB1 ASP 127 HA -0.07 0.28 0.92 -0.75 4.63 5.01 2b8hB1 ASP 127 HB2 -0.07 0.01 0.12 -0.04 2.71 2.73 2b8hB1 ASP 127 HB3 -0.10 0.04 -0.12 -0.04 2.70 2.48 2b8hB1 GLU 128 H -0.11 0.35 -0.09 -0.55 8.60 8.21 2b8hB1 GLU 128 HA -0.04 0.13 0.74 -0.75 4.29 4.36 2b8hB1 GLU 128 HB2 -0.07 0.09 -0.48 -0.04 2.09 1.59 2b8hB1 GLU 128 HB3 -0.08 -0.09 -0.16 -0.04 1.99 1.61 2b8hB1 GLU 128 HG2 -0.09 0.08 -0.22 -0.04 2.34 2.07 2b8hB1 GLU 128 HG3 -0.08 0.04 0.05 -0.04 2.34 2.31 2b8hB1 CYS 129 H -0.03 0.24 0.18 -0.55 8.50 8.34 2b8hB1 CYS 129 HA 0.04 0.18 1.00 -0.75 4.58 5.03 2b8hB1 CYS 129 HB2 0.10 0.00 0.04 -0.04 2.97 3.06 2b8hB1 CYS 129 HB3 0.13 0.00 -0.09 -0.04 2.97 2.96 2b8hB1 ARG 130 H -0.00 0.59 0.22 -0.55 8.46 8.72 2b8hB1 ARG 130 HA -0.34 0.06 0.96 -0.75 4.34 4.26 2b8hB1 ARG 130 HB2 -0.18 0.00 -0.04 -0.04 1.90 1.65 2b8hB1 ARG 130 HB3 -0.49 0.17 0.05 -0.04 1.80 1.49 2b8hB1 ARG 130 HG2 -0.21 0.01 -0.21 -0.04 1.67 1.21 2b8hB1 ARG 130 HG3 -0.13 -0.16 -0.69 -0.04 1.67 0.65 2b8hB1 ARG 130 HD2 -0.10 -0.03 -0.21 -0.04 3.22 2.85 2b8hB1 ARG 130 HD3 -0.09 -0.02 -0.19 -0.04 3.22 2.89 2b8hB1 PHE 131 H -0.71 0.52 0.17 -0.55 8.34 7.76 2b8hB1 PHE 131 HA -0.63 0.18 0.79 -0.75 4.62 4.21 2b8hB1 PHE 131 HB2 -1.87 0.09 -0.04 -0.04 3.15 1.29 2b8hB1 PHE 131 HB3 -1.83 0.05 -0.05 -0.04 3.06 1.18 2b8hB1 PHE 131 HD2 -0.11 0.16 -0.12 -0.04 7.28 7.17 2b8hB1 PHE 131 HE2 -0.02 0.01 -0.20 -0.04 7.38 7.14 2b8hB1 PHE 131 HZ -0.05 -0.05 -0.38 -0.04 7.32 6.81 2b8hB1 TYR 132 H -0.58 0.68 0.33 -0.55 8.29 8.18 2b8hB1 TYR 132 HA -0.47 0.32 0.91 -0.75 4.56 4.56 2b8hB1 TYR 132 HB2 -1.48 -0.10 -0.22 -0.04 3.06 1.21 2b8hB1 TYR 132 HB3 -1.12 0.04 -0.10 -0.04 2.98 1.75 2b8hB1 TYR 132 HD2 -0.35 0.01 -0.35 -0.04 7.15 6.43 2b8hB1 TYR 132 HE2 -0.13 0.05 -0.16 -0.04 6.85 6.57 2b8hB1 ALA 133 H 0.06 0.63 0.31 -0.55 8.40 8.86 2b8hB1 ALA 133 HA 0.03 0.22 0.13 -0.75 4.34 3.96 2b8hB1 ALA 133 HB3 0.22 0.04 -0.07 -0.04 1.41 1.55 2b8hB1 LEU 134 H 0.09 0.56 0.17 -0.55 8.37 8.65 2b8hB1 LEU 134 HA 0.07 0.26 0.98 -0.75 4.35 4.90 2b8hB1 LEU 134 HB2 0.09 0.03 0.15 -0.04 1.64 1.87 2b8hB1 LEU 134 HB3 0.10 0.10 0.01 -0.04 1.64 1.81 2b8hB1 LEU 134 HG 0.15 -0.01 -0.08 -0.04 1.64 1.66 2b8hB1 LEU 134 HD13 0.17 -0.03 -0.17 -0.04 0.93 0.86 2b8hB1 LEU 134 HD23 0.10 -0.01 -0.34 -0.04 0.89 0.60 2b8hB1 SER 135 H 0.02 0.53 0.36 -0.55 8.46 8.83 2b8hB1 SER 135 HA -0.04 0.22 0.70 -0.75 4.49 4.61 2b8hB1 SER 135 HB2 -0.05 0.00 0.08 -0.04 3.95 3.94 2b8hB1 SER 135 HB3 -0.02 -0.03 0.14 -0.04 3.93 3.99 2b8hB1 GLN 136 H -0.03 0.52 0.25 -0.55 8.47 8.67 2b8hB1 GLN 136 HA 0.07 0.15 0.66 -0.75 4.36 4.49 2b8hB1 GLN 136 HB2 0.01 -0.05 -0.02 -0.04 2.15 2.05 2b8hB1 GLN 136 HB3 0.06 -0.01 0.03 -0.04 2.02 2.06 2b8hB1 GLN 136 HG2 0.03 0.01 -0.43 -0.04 2.40 1.97 2b8hB1 GLN 136 HG3 0.03 0.03 -0.18 -0.04 2.39 2.24 2b8hB1 GLN 136 HE21 0.05 0.41 -0.04 -0.04 6.97 7.35 2b8hB1 GLN 136 HE22 0.04 0.00 -0.06 -0.04 7.69 7.62 2b8hB1 GLY 137 H -0.02 -0.02 0.00 -0.55 8.43 7.85 2b8hB1 GLY 137 HA2 -0.03 -0.06 0.29 -0.51 4.01 3.70 2b8hB1 GLY 137 HA3 0.04 0.19 0.41 -0.51 4.01 4.14 2b8hB1 THR 138 H -0.06 0.17 0.03 -0.55 8.28 7.87 2b8hB1 THR 138 HA -0.06 0.02 0.55 -0.75 4.39 4.15 2b8hB1 THR 138 HB -0.01 0.20 -0.28 -0.04 4.32 4.18 2b8hB1 THR 138 HG23 0.00 0.05 -0.44 -0.04 1.22 0.80 2b8hB1 THR 139 H -0.06 0.08 0.09 -0.55 8.28 7.84 2b8hB1 THR 139 HA -0.15 0.25 0.82 -0.75 4.39 4.55 2b8hB1 THR 139 HB -0.11 0.03 0.17 -0.04 4.32 4.37 2b8hB1 THR 139 HG23 -0.14 -0.00 -0.16 -0.04 1.22 0.88 2b8hB1 ILE 140 H -0.19 0.49 0.28 -0.55 8.25 8.28 2b8hB1 ILE 140 HA -0.40 0.10 0.43 -0.75 4.18 3.57 2b8hB1 ILE 140 HB -0.25 0.10 0.02 -0.04 1.89 1.72 2b8hB1 ILE 140 HG12 -0.52 -0.03 -0.07 -0.04 1.49 0.83 2b8hB1 ILE 140 HG13 -0.29 0.15 -0.07 -0.04 1.21 0.95 2b8hB1 ILE 140 HG23 -1.51 -0.01 -0.14 -0.04 0.93 -0.77 2b8hB1 ILE 140 HD13 -0.32 -0.02 -0.12 -0.04 0.88 0.37 2b8hB1 ARG 141 H -0.08 0.11 0.02 -0.55 8.46 7.95 2b8hB1 ARG 141 HA 0.07 0.17 0.65 -0.75 4.34 4.47 2b8hB1 ARG 141 HB2 -0.02 -0.08 0.02 -0.04 1.90 1.78 2b8hB1 ARG 141 HB3 0.01 -0.03 0.00 -0.04 1.80 1.74 2b8hB1 ARG 141 HG2 0.03 0.12 0.06 -0.04 1.67 1.84 2b8hB1 ARG 141 HG3 -0.02 0.04 -0.01 -0.04 1.67 1.64 2b8hB1 ARG 141 HD2 0.06 -0.06 0.09 -0.04 3.22 3.26 2b8hB1 ARG 141 HD3 0.20 -0.03 0.04 -0.04 3.22 3.40 2b8hB1 GLY 142 H -0.04 0.03 -0.66 -0.55 8.43 7.21 2b8hB1 GLY 142 HA2 0.00 0.10 0.51 -0.51 4.01 4.11 2b8hB1 GLY 142 HA3 0.01 -0.07 0.26 -0.51 4.01 3.70 2b8hB1 LYS 143 H -0.03 0.13 0.17 -0.55 8.42 8.13 2b8hB1 LYS 143 HA -0.02 0.14 0.46 -0.75 4.32 4.14 2b8hB1 LYS 143 HB2 -0.19 -0.04 0.16 -0.04 1.87 1.76 2b8hB1 LYS 143 HB3 -0.20 0.04 0.07 -0.04 1.79 1.66 2b8hB1 LYS 143 HG2 -0.04 0.04 0.08 -0.04 1.46 1.50 2b8hB1 LYS 143 HG3 -0.03 0.02 0.11 -0.04 1.46 1.51 2b8hB1 LYS 143 HD2 -0.08 -0.02 0.06 -0.04 1.69 1.60 2b8hB1 LYS 143 HD3 -0.09 0.01 0.04 -0.04 1.68 1.60 2b8hB1 LYS 143 HE2 -0.02 0.02 0.03 -0.04 2.99 2.98 2b8hB1 LYS 143 HE3 -0.02 0.01 0.04 -0.04 2.99 2.98 2b8hB1 HIS 144 H -0.03 0.01 -0.24 -0.55 8.41 7.61 2b8hB1 HIS 144 HA -0.03 0.14 0.42 -0.75 4.63 4.40 2b8hB1 HIS 144 HB2 -0.06 -0.05 0.01 -0.04 3.26 3.12 2b8hB1 HIS 144 HB3 -0.07 0.11 0.09 -0.04 3.20 3.28 2b8hB1 HIS 144 HD2 -0.12 0.05 0.01 -0.04 6.97 6.87 2b8hB1 HIS 144 HE1 -0.06 -0.02 0.02 -0.04 7.75 7.65 2b8hB1 SER 145 H 0.05 0.45 -0.66 -0.55 8.46 7.77 2b8hB1 SER 145 HA 0.08 0.10 0.53 -0.75 4.49 4.44 2b8hB1 SER 145 HB2 0.07 -0.19 0.08 -0.04 3.95 3.87 2b8hB1 SER 145 HB3 -0.04 0.23 0.12 -0.04 3.93 4.20 2b8hB1 ASN 146 H 0.08 0.40 -0.22 -0.55 8.53 8.24 2b8hB1 ASN 146 HA 0.23 0.02 0.46 -0.75 4.76 4.72 2b8hB1 ASN 146 HB2 -0.03 -0.01 0.15 -0.04 2.88 2.95 2b8hB1 ASN 146 HB3 -0.08 0.06 0.17 -0.04 2.79 2.90 2b8hB1 ASN 146 HD21 -0.88 -0.03 0.01 -0.04 7.03 6.09 2b8hB1 ASN 146 HD22 -0.40 0.00 0.04 -0.04 7.74 7.35 2b8hB1 GLY 147 H 0.18 0.43 0.34 -0.55 8.43 8.83 2b8hB1 GLY 147 HA2 0.11 -0.06 0.36 -0.51 4.01 3.91 2b8hB1 GLY 147 HA3 0.13 0.21 0.79 -0.51 4.01 4.62 2b8hB1 THR 148 H 0.13 0.43 0.09 -0.55 8.28 8.38 2b8hB1 THR 148 HA 0.08 0.15 0.30 -0.75 4.39 4.17 2b8hB1 THR 148 HB 0.07 0.11 0.19 -0.04 4.32 4.65 2b8hB1 THR 148 HG23 0.08 0.01 -0.04 -0.04 1.22 1.23 2b8hB1 ILE 149 H -0.07 0.01 -0.45 -0.55 8.25 7.20 2b8hB1 ILE 149 HA -0.08 0.11 0.48 -0.75 4.18 3.95 2b8hB1 ILE 149 HB -0.14 -0.05 -0.04 -0.04 1.89 1.62 2b8hB1 ILE 149 HG12 -0.14 0.00 -0.09 -0.04 1.49 1.22 2b8hB1 ILE 149 HG13 -0.12 0.10 -0.10 -0.04 1.21 1.04 2b8hB1 ILE 149 HG23 -0.51 -0.01 -0.12 -0.04 0.93 0.25 2b8hB1 ILE 149 HD13 -0.13 -0.03 -0.09 -0.04 0.88 0.59 2b8hB1 HIS 150 H -0.17 0.36 -0.15 -0.55 8.41 7.90 2b8hB1 HIS 150 HA -0.02 -0.02 0.42 -0.75 4.63 4.25 2b8hB1 HIS 150 HB2 0.02 0.15 0.10 -0.04 3.26 3.49 2b8hB1 HIS 150 HB3 -0.03 -0.08 0.04 -0.04 3.20 3.09 2b8hB1 HIS 150 HD2 0.03 0.10 0.13 -0.04 6.97 7.18 2b8hB1 HIS 150 HE1 0.00 -0.02 -0.01 -0.04 7.75 7.68 2b8hB1 ASP 151 H 0.03 0.05 0.18 -0.55 8.40 8.11 2b8hB1 ASP 151 HA 0.01 0.19 0.41 -0.75 4.63 4.48 2b8hB1 ASP 151 HB2 -0.10 -0.09 0.12 -0.04 2.71 2.60 2b8hB1 ASP 151 HB3 -0.07 0.03 -0.03 -0.04 2.70 2.59 2b8hB1 ARG 152 H -0.11 0.10 -0.12 -0.55 8.46 7.78 2b8hB1 ARG 152 HA -0.28 0.22 0.89 -0.75 4.34 4.42 2b8hB1 ARG 152 HB2 -0.54 -0.08 0.10 -0.04 1.90 1.34 2b8hB1 ARG 152 HB3 -1.29 0.02 0.00 -0.04 1.80 0.49 2b8hB1 ARG 152 HG2 -1.35 0.14 -0.13 -0.04 1.67 0.29 2b8hB1 ARG 152 HG3 -0.53 -0.08 -0.29 -0.04 1.67 0.73 2b8hB1 ARG 152 HD2 -2.21 0.00 -0.08 -0.04 3.22 0.88 2b8hB1 ARG 152 HD3 -1.02 0.07 -0.07 -0.04 3.22 2.15 2b8hB1 SER 153 H 0.12 0.40 0.20 -0.55 8.46 8.64 2b8hB1 SER 153 HA -0.08 0.10 0.30 -0.75 4.49 4.05 2b8hB1 SER 153 HB2 -0.06 -0.03 0.15 -0.04 3.95 3.98 2b8hB1 SER 153 HB3 0.05 0.17 -0.18 -0.04 3.93 3.92 2b8hB1 GLN 154 H -0.46 0.19 0.11 -0.55 8.47 7.76 2b8hB1 GLN 154 HA -0.11 0.10 0.48 -0.75 4.36 4.08 2b8hB1 GLN 154 HB2 -1.01 0.02 0.07 -0.04 2.15 1.18 2b8hB1 GLN 154 HB3 -0.29 0.05 0.10 -0.04 2.02 1.84 2b8hB1 GLN 154 HG2 -0.10 0.02 0.02 -0.04 2.40 2.31 2b8hB1 GLN 154 HG3 -0.09 -0.02 -0.00 -0.04 2.39 2.24 2b8hB1 GLN 154 HE21 -0.03 0.01 -0.01 -0.04 6.97 6.90 2b8hB1 GLN 154 HE22 -0.03 0.00 -0.01 -0.04 7.69 7.61 2b8hB1 TYR 155 H -0.22 0.03 -0.56 -0.55 8.29 6.99 2b8hB1 TYR 155 HA 0.01 0.13 0.43 -0.75 4.56 4.37 2b8hB1 TYR 155 HB2 0.02 0.13 -0.08 -0.04 3.06 3.09 2b8hB1 TYR 155 HB3 -0.02 0.07 0.05 -0.04 2.98 3.04 2b8hB1 TYR 155 HD2 0.01 0.10 -0.13 -0.04 7.15 7.09 2b8hB1 TYR 155 HE2 0.01 0.02 -0.03 -0.04 6.85 6.80 2b8hB1 ARG 156 H 0.07 0.12 -0.24 -0.55 8.46 7.85 2b8hB1 ARG 156 HA 0.07 0.22 0.49 -0.75 4.34 4.37 2b8hB1 ARG 156 HB2 0.17 -0.07 -0.05 -0.04 1.90 1.92 2b8hB1 ARG 156 HB3 0.12 0.11 0.09 -0.04 1.80 2.08 2b8hB1 ARG 156 HG2 0.11 0.00 -0.09 -0.04 1.67 1.66 2b8hB1 ARG 156 HG3 0.13 -0.25 -0.06 -0.04 1.67 1.45 2b8hB1 ARG 156 HD2 0.11 0.01 -0.20 -0.04 3.22 3.10 2b8hB1 ARG 156 HD3 0.21 -0.01 0.07 -0.04 3.22 3.45 2b8hB1 ASP 157 H 0.03 0.33 0.28 -0.55 8.40 8.50 2b8hB1 ASP 157 HA -0.03 -0.01 0.88 -0.75 4.63 4.71 2b8hB1 LEU 158 H -0.06 0.48 0.23 -0.55 8.37 8.47 2b8hB1 LEU 158 HA 0.04 0.23 0.76 -0.75 4.35 4.62 2b8hB1 LEU 158 HB2 0.02 0.01 -0.05 -0.04 1.64 1.58 2b8hB1 LEU 158 HB3 -0.07 -0.10 0.09 -0.04 1.64 1.52 2b8hB1 LEU 158 HG 0.06 -0.02 -0.36 -0.04 1.64 1.27 2b8hB1 LEU 158 HD13 0.11 0.04 -0.11 -0.04 0.93 0.92 2b8hB1 LEU 158 HD23 0.07 -0.02 -0.19 -0.04 0.89 0.71 2b8hB1 ILE 159 H 0.05 0.76 0.41 -0.55 8.25 8.92 2b8hB1 ILE 159 HA -0.04 0.24 0.99 -0.75 4.18 4.62 2b8hB1 ILE 159 HB 0.06 0.01 -0.13 -0.04 1.89 1.79 2b8hB1 ILE 159 HG12 0.05 0.07 0.00 -0.04 1.49 1.57 2b8hB1 ILE 159 HG13 0.32 -0.10 -0.11 -0.04 1.21 1.29 2b8hB1 ILE 159 HG23 -0.04 -0.01 -0.30 -0.04 0.93 0.53 2b8hB1 ILE 159 HD13 -0.20 -0.02 -0.21 -0.04 0.88 0.41 2b8hB1 SER 160 H -0.08 0.68 0.31 -0.55 8.46 8.82 2b8hB1 SER 160 HA -0.45 0.28 0.66 -0.75 4.49 4.22 2b8hB1 SER 160 HB2 -1.13 0.05 0.06 -0.04 3.95 2.88 2b8hB1 SER 160 HB3 -1.23 -0.06 -0.05 -0.04 3.93 2.55 2b8hB1 TRP 161 H -0.62 0.58 0.26 -0.55 7.97 7.64 2b8hB1 TRP 161 HA -0.15 0.20 0.66 -0.75 4.62 4.58 2b8hB1 TRP 161 HB2 -0.09 0.06 -0.04 -0.04 3.23 3.12 2b8hB1 TRP 161 HB3 -0.12 -0.02 -0.37 -0.04 3.23 2.68 2b8hB1 TRP 161 HD1 -0.04 0.09 -0.47 -0.04 7.22 6.75 2b8hB1 TRP 161 HE1 0.24 0.37 -0.15 -0.04 10.20 10.62 2b8hB1 TRP 161 HE3 -0.17 -0.08 -0.59 -0.04 7.59 6.72 2b8hB1 TRP 161 HZ2 -0.05 -0.06 -0.15 -0.04 7.44 7.14 2b8hB1 TRP 161 HZ3 -0.15 0.03 -0.42 -0.04 7.13 6.55 2b8hB1 TRP 161 HH2 -0.14 0.04 -0.35 -0.04 7.19 6.70 2b8hB1 PRO 162 HA -0.20 0.02 0.58 -0.51 4.44 4.34 2b8hB1 PRO 162 HB2 -0.01 0.00 0.07 -0.04 2.28 2.30 2b8hB1 PRO 162 HB3 -0.08 0.05 0.11 -0.04 2.02 2.06 2b8hB1 PRO 162 HG2 0.01 0.04 0.09 -0.04 2.03 2.12 2b8hB1 PRO 162 HG3 -0.04 0.04 0.07 -0.04 2.03 2.06 2b8hB1 PRO 162 HD2 0.18 0.09 0.16 -0.04 3.68 4.07 2b8hB1 PRO 162 HD3 0.08 0.24 0.22 -0.04 3.65 4.15 2b8hB1 LEU 163 H -0.32 0.27 0.32 -0.55 8.37 8.09 2b8hB1 LEU 163 HA -1.15 -0.06 0.40 -0.75 4.35 2.78 2b8hB1 LEU 163 HB2 -0.36 0.23 0.12 -0.04 1.64 1.58 2b8hB1 LEU 163 HB3 -0.34 -0.01 0.10 -0.04 1.64 1.35 2b8hB1 LEU 163 HG -0.56 0.02 -0.23 -0.04 1.64 0.83 2b8hB1 LEU 163 HD13 -0.62 -0.03 -0.19 -0.04 0.93 0.04 2b8hB1 LEU 163 HD23 -0.51 0.00 -0.09 -0.04 0.89 0.25 2b8hB1 SER 164 H -1.66 0.05 0.10 -0.55 8.46 6.41 2b8hB1 SER 164 HA 0.01 -0.10 0.08 -0.75 4.49 3.72 2b8hB1 SER 164 HB2 -0.16 0.17 0.03 -0.04 3.95 3.95 2b8hB1 SER 164 HB3 -0.04 0.16 0.21 -0.04 3.93 4.22 2b8hB1 SER 165 H -0.05 0.34 -0.71 -0.55 8.46 7.50 2b8hB1 SER 165 HA 0.09 0.10 0.73 -0.75 4.49 4.65 2b8hB1 SER 165 HB2 0.15 0.12 0.03 -0.04 3.95 4.21 2b8hB1 SER 165 HB3 0.17 0.05 0.04 -0.04 3.93 4.14 2b8hB1 PRO 166 HA 0.03 0.08 0.57 -0.51 4.44 4.60 2b8hB1 PRO 166 HB2 -0.16 -0.01 -0.12 -0.04 2.28 1.96 2b8hB1 PRO 166 HB3 -0.02 0.04 -0.03 -0.04 2.02 1.97 2b8hB1 PRO 166 HG2 -0.06 -0.05 -0.06 -0.04 2.03 1.82 2b8hB1 PRO 166 HG3 0.00 0.09 -0.01 -0.04 2.03 2.07 2b8hB1 PRO 166 HD2 0.02 0.03 0.18 -0.04 3.68 3.87 2b8hB1 PRO 166 HD3 0.05 0.22 0.19 -0.04 3.65 4.07 2b8hB1 PRO 167 HA -1.36 0.12 0.50 -0.51 4.44 3.19 2b8hB1 PRO 167 HB2 -0.95 0.02 -0.03 -0.04 2.28 1.28 2b8hB1 PRO 167 HB3 -3.33 0.05 -0.13 -0.04 2.02 -1.44 2b8hB1 PRO 167 HG2 -0.55 0.16 0.08 -0.04 2.03 1.67 2b8hB1 PRO 167 HG3 -0.78 0.05 -0.05 -0.04 2.03 1.20 2b8hB1 PRO 167 HD2 -0.36 0.04 0.11 -0.04 3.68 3.43 2b8hB1 PRO 167 HD3 -0.41 0.11 0.08 -0.04 3.65 3.39 2b8hB1 THR 168 H -0.35 0.27 0.13 -0.55 8.28 7.78 2b8hB1 THR 168 HA -0.30 0.18 0.89 -0.75 4.39 4.41 2b8hB1 THR 168 HB -0.19 0.08 0.15 -0.04 4.32 4.31 2b8hB1 THR 168 HG23 -0.13 0.09 -0.17 -0.04 1.22 0.98 2b8hB1 VAL 169 H -0.44 0.52 0.26 -0.55 8.24 8.03 2b8hB1 VAL 169 HA -0.28 0.10 0.42 -0.75 4.13 3.61 2b8hB1 VAL 169 HB -1.27 -0.03 0.13 -0.04 2.12 0.91 2b8hB1 VAL 169 HG13 -0.25 0.02 -0.09 -0.04 0.97 0.61 2b8hB1 VAL 169 HG23 -0.31 0.02 -0.06 -0.04 0.95 0.56 2b8hB1 TYR 170 H -0.39 -0.00 -0.25 -0.55 8.29 7.11 2b8hB1 TYR 170 HA -0.04 0.17 0.26 -0.75 4.56 4.19 2b8hB1 TYR 170 HB2 -0.04 -0.00 0.05 -0.04 3.06 3.02 2b8hB1 TYR 170 HB3 -0.03 0.05 0.06 -0.04 2.98 3.01 2b8hB1 TYR 170 HD2 -0.04 0.06 -0.04 -0.04 7.15 7.08 2b8hB1 TYR 170 HE2 -0.04 -0.00 0.01 -0.04 6.85 6.78 2b8hB1 ASN 171 H -0.05 0.01 -0.21 -0.55 8.53 7.74 2b8hB1 ASN 171 HA 0.03 0.18 0.59 -0.75 4.76 4.81 2b8hB1 ASN 171 HB2 -0.00 0.00 0.07 -0.04 2.88 2.90 2b8hB1 ASN 171 HB3 0.04 0.02 0.11 -0.04 2.79 2.92 2b8hB1 ASN 171 HD21 0.06 0.01 -0.05 -0.04 7.03 7.01 2b8hB1 ASN 171 HD22 0.03 -0.01 -0.00 -0.04 7.74 7.72 2b8hB1 SER 172 H -0.07 0.27 -0.17 -0.55 8.46 7.94 2b8hB1 SER 172 HA 0.08 0.17 0.57 -0.75 4.49 4.56 2b8hB1 SER 172 HB2 -0.13 0.11 0.02 -0.04 3.95 3.91 2b8hB1 SER 172 HB3 -0.06 -0.04 -0.19 -0.04 3.93 3.59 2b8hB1 ARG 173 H 0.01 0.70 0.37 -0.55 8.46 8.99 2b8hB1 ARG 173 HA -0.04 0.11 0.76 -0.75 4.34 4.41 2b8hB1 ARG 173 HB2 -0.03 0.04 0.01 -0.04 1.90 1.87 2b8hB1 ARG 173 HB3 -0.07 -0.03 0.13 -0.04 1.80 1.79 2b8hB1 ARG 173 HG2 -0.08 0.02 -0.32 -0.04 1.67 1.25 2b8hB1 ARG 173 HG3 -0.05 0.02 -0.01 -0.04 1.67 1.59 2b8hB1 ARG 173 HD2 -0.04 0.01 -0.07 -0.04 3.22 3.08 2b8hB1 ARG 173 HD3 -0.04 0.01 -0.06 -0.04 3.22 3.09 2b8hB1 VAL 174 H -0.06 0.18 0.11 -0.55 8.24 7.91 2b8hB1 VAL 174 HA -0.09 0.16 0.80 -0.75 4.13 4.24 2b8hB1 VAL 174 HB -0.10 -0.01 0.09 -0.04 2.12 2.06 2b8hB1 VAL 174 HG13 -0.14 0.01 -0.23 -0.04 0.97 0.56 2b8hB1 VAL 174 HG23 -0.06 0.01 -0.09 -0.04 0.95 0.78 2b8hB1 GLU 175 H -0.15 0.74 0.29 -0.55 8.60 8.94 2b8hB1 GLU 175 HA -0.27 0.10 0.58 -0.75 4.29 3.94 2b8hB1 GLU 175 HB2 -0.14 0.03 -0.04 -0.04 2.09 1.90 2b8hB1 GLU 175 HB3 -0.16 -0.09 -0.11 -0.04 1.99 1.59 2b8hB1 GLU 175 HG2 -0.08 0.07 -0.25 -0.04 2.34 2.04 2b8hB1 GLU 175 HG3 0.11 -0.03 -0.26 -0.04 2.34 2.12 2b8hB1 CYS 176 H -0.29 0.37 0.17 -0.55 8.50 8.21 2b8hB1 CYS 176 HA -0.67 0.08 0.22 -0.75 4.58 3.46 2b8hB1 CYS 176 HB2 -0.28 0.02 0.07 -0.04 2.97 2.74 2b8hB1 CYS 176 HB3 -1.81 0.16 0.16 -0.04 2.97 1.44 2b8hB1 ILE 177 H -0.07 0.17 0.12 -0.55 8.25 7.92 2b8hB1 ILE 177 HA -0.06 0.14 0.79 -0.75 4.18 4.30 2b8hB1 ILE 177 HB 0.01 -0.05 0.10 -0.04 1.89 1.91 2b8hB1 ILE 177 HG12 -0.01 -0.08 -0.04 -0.04 1.49 1.31 2b8hB1 ILE 177 HG13 0.02 0.02 -0.03 -0.04 1.21 1.18 2b8hB1 ILE 177 HG23 -0.01 0.03 -0.06 -0.04 0.93 0.85 2b8hB1 ILE 177 HD13 -0.04 0.03 -0.17 -0.04 0.88 0.66 2b8hB1 GLY 178 H -0.04 0.67 0.22 -0.55 8.43 8.74 2b8hB1 GLY 178 HA2 -0.31 -0.02 0.38 -0.51 4.01 3.55 2b8hB1 GLY 178 HA3 -0.25 0.04 0.24 -0.51 4.01 3.53 2b8hB1 TRP 179 H -0.66 0.70 0.38 -0.55 7.97 7.85 2b8hB1 TRP 179 HA 0.02 0.17 0.75 -0.75 4.62 4.81 2b8hB1 TRP 179 HB2 0.01 0.20 0.28 -0.04 3.23 3.68 2b8hB1 TRP 179 HB3 -0.00 -0.02 0.04 -0.04 3.23 3.21 2b8hB1 TRP 179 HD1 -0.04 0.12 0.02 -0.04 7.22 7.28 2b8hB1 TRP 179 HE1 -0.03 0.07 0.03 -0.04 10.20 10.23 2b8hB1 TRP 179 HE3 0.02 0.04 -0.55 -0.04 7.59 7.06 2b8hB1 TRP 179 HZ2 -0.03 0.05 -0.36 -0.04 7.44 7.06 2b8hB1 TRP 179 HZ3 0.00 0.10 -0.10 -0.04 7.13 7.09 2b8hB1 TRP 179 HH2 -0.04 -0.06 -0.14 -0.04 7.19 6.91 2b8hB1 SER 180 H -0.11 0.20 0.18 -0.55 8.46 8.19 2b8hB1 SER 180 HA 0.18 0.15 0.51 -0.75 4.49 4.58 2b8hB1 SER 180 HB2 0.45 0.21 0.06 -0.04 3.95 4.62 2b8hB1 SER 180 HB3 0.05 -0.04 0.08 -0.04 3.93 3.98 2b8hB1 SER 181 H 0.06 0.27 0.16 -0.55 8.46 8.41 2b8hB1 SER 181 HA -0.03 0.27 0.89 -0.75 4.49 4.87 2b8hB1 SER 181 HB2 0.06 0.12 0.13 -0.04 3.95 4.21 2b8hB1 SER 181 HB3 0.05 -0.05 -0.32 -0.04 3.93 3.57 2b8hB1 THR 182 H -0.04 0.58 0.38 -0.55 8.28 8.66 2b8hB1 THR 182 HA -0.24 0.18 0.22 -0.75 4.39 3.80 2b8hB1 THR 182 HB -0.20 -0.09 0.17 -0.04 4.32 4.16 2b8hB1 THR 182 HG23 -0.14 -0.01 -0.18 -0.04 1.22 0.84 2b8hB1 SER 183 H -0.10 0.28 0.17 -0.55 8.46 8.27 2b8hB1 SER 183 HA -0.02 0.29 0.85 -0.75 4.49 4.86 2b8hB1 SER 183 HB2 0.01 0.02 -0.38 -0.04 3.95 3.57 2b8hB1 SER 183 HB3 -0.25 -0.03 -0.17 -0.04 3.93 3.44 2b8hB1 CYS 184 H 0.02 0.75 0.37 -0.55 8.50 9.09 2b8hB1 CYS 184 HA 0.09 0.10 0.47 -0.75 4.58 4.48 2b8hB1 CYS 184 HB2 0.13 0.05 -0.08 -0.04 2.97 3.02 2b8hB1 CYS 184 HB3 0.06 0.26 0.02 -0.04 2.97 3.27 2b8hB1 HIS 185 H 0.32 0.30 0.20 -0.55 8.41 8.68 2b8hB1 HIS 185 HA 0.09 0.12 0.81 -0.75 4.63 4.90 2b8hB1 HIS 185 HB2 -0.01 0.09 0.06 -0.04 3.26 3.36 2b8hB1 HIS 185 HB3 -0.01 0.06 0.09 -0.04 3.20 3.30 2b8hB1 HIS 185 HD2 -0.10 0.03 -0.12 -0.04 6.97 6.73 2b8hB1 HIS 185 HE1 -0.11 0.25 -0.81 -0.04 7.75 7.03 2b8hB1 ASP 186 H 0.05 0.55 0.26 -0.55 8.40 8.71 2b8hB1 ASP 186 HA 0.36 0.26 0.85 -0.75 4.63 5.34 2b8hB1 ASP 186 HB2 0.25 -0.08 0.15 -0.04 2.71 2.99 2b8hB1 ASP 186 HB3 0.23 0.07 -0.04 -0.04 2.70 2.92 2b8hB1 GLY 187 H 0.87 0.11 -0.25 -0.55 8.43 8.61 2b8hB1 GLY 187 HA2 0.43 0.05 0.34 -0.51 4.01 4.32 2b8hB1 GLY 187 HA3 0.51 0.16 0.90 -0.51 4.01 5.06 2b8hB1 ARG 188 H 0.32 -0.07 -0.33 -0.55 8.46 7.83 2b8hB1 ARG 188 HA 0.07 0.35 0.78 -0.75 4.34 4.79 2b8hB1 ARG 188 HB2 0.10 -0.11 -0.01 -0.04 1.90 1.84 2b8hB1 ARG 188 HB3 -0.01 0.04 -0.06 -0.04 1.80 1.72 2b8hB1 ARG 188 HG2 -0.13 0.13 -0.33 -0.04 1.67 1.30 2b8hB1 ARG 188 HG3 -0.16 -0.07 -0.75 -0.04 1.67 0.65 2b8hB1 ARG 188 HD2 -0.67 0.12 -0.18 -0.04 3.22 2.45 2b8hB1 ARG 188 HD3 -1.93 -0.09 -0.14 -0.04 3.22 1.02 2b8hB1 ALA 189 H -0.01 0.04 0.16 -0.55 8.40 8.04 2b8hB1 ALA 189 HA -0.40 0.20 0.62 -0.75 4.34 4.01 2b8hB1 ALA 189 HB3 -0.53 0.03 -0.04 -0.04 1.41 0.83 2b8hB1 ARG 190 H -0.41 0.19 0.18 -0.55 8.46 7.87 2b8hB1 ARG 190 HA -0.24 0.18 0.91 -0.75 4.34 4.42 2b8hB1 ARG 190 HB2 -0.02 -0.01 -0.06 -0.04 1.90 1.77 2b8hB1 ARG 190 HB3 -0.09 -0.03 0.05 -0.04 1.80 1.70 2b8hB1 ARG 190 HG2 0.01 -0.04 -0.49 -0.04 1.67 1.11 2b8hB1 ARG 190 HG3 0.02 0.14 -0.25 -0.04 1.67 1.54 2b8hB1 ARG 190 HD2 0.10 0.01 -0.19 -0.04 3.22 3.10 2b8hB1 ARG 190 HD3 0.12 0.02 -0.26 -0.04 3.22 3.07 2b8hB1 MET 191 H 0.04 0.81 0.42 -0.55 8.47 9.20 2b8hB1 MET 191 HA 0.16 0.35 1.00 -0.75 4.52 5.28 2b8hB1 MET 191 HB2 0.26 -0.10 0.06 -0.04 2.15 2.33 2b8hB1 MET 191 HB3 0.08 -0.05 0.14 -0.04 2.03 2.16 2b8hB1 MET 191 HG2 -0.05 -0.03 -0.37 -0.04 2.63 2.14 2b8hB1 MET 191 HG3 0.03 0.20 -0.00 -0.04 2.56 2.75 2b8hB1 MET 191 HE3 0.02 0.01 -0.19 -0.04 2.10 1.90 2b8hB1 SER 192 H 0.12 0.42 0.18 -0.55 8.46 8.63 2b8hB1 SER 192 HA 0.01 0.21 0.99 -0.75 4.49 4.94 2b8hB1 SER 192 HB2 -0.04 0.01 -0.03 -0.04 3.95 3.85 2b8hB1 SER 192 HB3 -0.06 0.04 -0.11 -0.04 3.93 3.76 2b8hB1 ILE 193 H -0.01 0.76 0.32 -0.55 8.25 8.77 2b8hB1 ILE 193 HA 0.07 0.35 1.13 -0.75 4.18 4.97 2b8hB1 ILE 193 HB -0.07 -0.11 0.02 -0.04 1.89 1.69 2b8hB1 ILE 193 HG12 -0.13 0.07 -0.23 -0.04 1.49 1.16 2b8hB1 ILE 193 HG13 -0.11 -0.07 -0.47 -0.04 1.21 0.51 2b8hB1 ILE 193 HG23 0.08 0.01 -0.28 -0.04 0.93 0.70 2b8hB1 ILE 193 HD13 -0.30 -0.00 -0.21 -0.04 0.88 0.32 2b8hB1 CYS 194 H 0.06 0.50 0.30 -0.55 8.50 8.81 2b8hB1 CYS 194 HA -0.07 0.33 0.92 -0.75 4.58 5.00 2b8hB1 CYS 194 HB2 -0.04 -0.00 -0.01 -0.04 2.97 2.87 2b8hB1 CYS 194 HB3 -0.13 0.00 -0.37 -0.04 2.97 2.44 2b8hB1 ILE 195 H -0.25 0.56 0.30 -0.55 8.25 8.31 2b8hB1 ILE 195 HA -0.29 0.35 1.06 -0.75 4.18 4.55 2b8hB1 ILE 195 HB -0.46 -0.04 0.05 -0.04 1.89 1.40 2b8hB1 ILE 195 HG12 -0.05 -0.02 -0.34 -0.04 1.49 1.05 2b8hB1 ILE 195 HG13 -0.03 -0.11 -0.45 -0.04 1.21 0.57 2b8hB1 ILE 195 HG23 -0.64 0.06 -0.30 -0.04 0.93 -0.00 2b8hB1 ILE 195 HD13 0.10 0.01 -0.42 -0.04 0.88 0.52 2b8hB1 SER 196 H -0.39 0.60 0.42 -0.55 8.46 8.54 2b8hB1 SER 196 HA -1.23 0.09 0.72 -0.75 4.49 3.31 2b8hB1 SER 196 HB2 -0.15 -0.05 0.12 -0.04 3.95 3.82 2b8hB1 SER 196 HB3 -0.27 0.13 -0.07 -0.04 3.93 3.67 2b8hB1 GLY 197 H 0.28 0.16 0.11 -0.55 8.43 8.43 2b8hB1 GLY 197 HA2 0.10 0.04 0.22 -0.51 4.01 3.86 2b8hB1 GLY 197 HA3 0.12 0.21 0.69 -0.51 4.01 4.52 2b8hB1 PRO 198 HA 0.05 0.13 0.50 -0.51 4.44 4.61 2b8hB1 PRO 198 HB2 0.02 -0.06 0.05 -0.04 2.28 2.25 2b8hB1 PRO 198 HB3 0.02 0.09 0.09 -0.04 2.02 2.19 2b8hB1 PRO 198 HG2 0.04 -0.03 -0.02 -0.04 2.03 1.97 2b8hB1 PRO 198 HG3 0.03 0.11 0.04 -0.04 2.03 2.17 2b8hB1 PRO 198 HD2 0.07 0.25 -0.01 -0.04 3.68 3.95 2b8hB1 PRO 198 HD3 0.06 0.15 0.12 -0.04 3.65 3.95 2b8hB1 ASN 199 H -0.03 0.19 0.13 -0.55 8.53 8.27 2b8hB1 ASN 199 HA 0.01 0.10 0.36 -0.75 4.76 4.47 2b8hB1 ASN 199 HB2 -0.04 0.02 0.10 -0.04 2.88 2.91 2b8hB1 ASN 199 HB3 -0.05 -0.01 0.04 -0.04 2.79 2.73 2b8hB1 ASN 199 HD21 -0.13 0.05 0.03 -0.04 7.03 6.94 2b8hB1 ASN 199 HD22 -0.07 0.01 0.03 -0.04 7.74 7.67 2b8hB1 ASN 200 H 0.01 0.04 -0.36 -0.55 8.53 7.68 2b8hB1 ASN 200 HA -0.00 0.32 0.43 -0.75 4.76 4.75 2b8hB1 ASN 200 HB2 0.00 0.06 0.17 -0.04 2.88 3.08 2b8hB1 ASN 200 HB3 -0.00 0.01 0.06 -0.04 2.79 2.81 2b8hB1 ASN 200 HD21 0.00 -0.00 -0.01 -0.04 7.03 6.98 2b8hB1 ASN 200 HD22 0.00 0.04 0.02 -0.04 7.74 7.76 2b8hB1 ASN 201 H 0.05 0.43 -0.40 -0.55 8.53 8.06 2b8hB1 ASN 201 HA 0.00 0.17 0.77 -0.75 4.76 4.94 2b8hB1 ASN 201 HB2 0.02 -0.13 -0.28 -0.04 2.88 2.44 2b8hB1 ASN 201 HB3 0.02 0.00 0.13 -0.04 2.79 2.90 2b8hB1 ASN 201 HD21 0.01 0.01 -0.02 -0.04 7.03 6.99 2b8hB1 ASN 201 HD22 0.01 -0.05 -0.04 -0.04 7.74 7.62 2b8hB1 ALA 202 H 0.03 0.02 -0.00 -0.55 8.40 7.90 2b8hB1 ALA 202 HA 0.03 0.25 0.73 -0.75 4.34 4.59 2b8hB1 ALA 202 HB3 0.13 -0.02 -0.05 -0.04 1.41 1.43 2b8hB1 SER 203 H -0.12 0.69 0.44 -0.55 8.46 8.92 2b8hB1 SER 203 HA -0.09 0.17 0.85 -0.75 4.49 4.66 2b8hB1 SER 203 HB2 -0.05 0.05 -0.05 -0.04 3.95 3.85 2b8hB1 SER 203 HB3 -0.04 -0.00 -0.12 -0.04 3.93 3.73 2b8hB1 ALA 204 H -0.09 0.58 0.28 -0.55 8.40 8.62 2b8hB1 ALA 204 HA -0.06 0.27 0.89 -0.75 4.34 4.68 2b8hB1 ALA 204 HB3 0.03 -0.02 -0.09 -0.04 1.41 1.29 2b8hB1 VAL 205 H 0.04 0.65 0.36 -0.55 8.24 8.74 2b8hB1 VAL 205 HA -0.00 0.23 1.05 -0.75 4.13 4.65 2b8hB1 VAL 205 HB 0.26 -0.01 0.17 -0.04 2.12 2.50 2b8hB1 VAL 205 HG13 -0.16 -0.00 -0.11 -0.04 0.97 0.65 2b8hB1 VAL 205 HG23 0.02 0.01 -0.10 -0.04 0.95 0.83 2b8hB1 ILE 206 H -0.02 0.92 0.34 -0.55 8.25 8.94 2b8hB1 ILE 206 HA 0.05 0.16 0.86 -0.75 4.18 4.49 2b8hB1 ILE 206 HB -0.06 -0.01 0.24 -0.04 1.89 2.02 2b8hB1 ILE 206 HG12 -0.58 -0.01 -0.19 -0.04 1.49 0.67 2b8hB1 ILE 206 HG13 -0.09 -0.03 -0.32 -0.04 1.21 0.73 2b8hB1 ILE 206 HG23 -0.34 -0.01 -0.15 -0.04 0.93 0.38 2b8hB1 ILE 206 HD13 0.04 0.02 -0.32 -0.04 0.88 0.59 2b8hB1 TRP 207 H 0.38 0.78 0.40 -0.55 7.97 8.99 2b8hB1 TRP 207 HA 0.02 0.21 0.73 -0.75 4.62 4.82 2b8hB1 TRP 207 HB2 -0.01 0.02 0.16 -0.04 3.23 3.36 2b8hB1 TRP 207 HB3 -0.01 -0.08 -0.11 -0.04 3.23 2.99 2b8hB1 TRP 207 HD1 -0.03 0.14 -0.21 -0.04 7.22 7.07 2b8hB1 TRP 207 HE1 -0.03 -0.04 -0.03 -0.04 10.20 10.06 2b8hB1 TRP 207 HE3 -0.01 -0.17 -0.62 -0.04 7.59 6.75 2b8hB1 TRP 207 HZ2 -0.02 -0.06 -0.01 -0.04 7.44 7.31 2b8hB1 TRP 207 HZ3 -0.01 0.18 -0.06 -0.04 7.13 7.20 2b8hB1 TRP 207 HH2 -0.01 -0.03 -0.03 -0.04 7.19 7.08 2b8hB1 TYR 208 H 0.19 0.92 0.29 -0.55 8.29 9.14 2b8hB1 TYR 208 HA 0.07 0.21 0.81 -0.75 4.56 4.89 2b8hB1 TYR 208 HB2 0.03 -0.04 -0.33 -0.04 3.06 2.68 2b8hB1 TYR 208 HB3 0.03 0.13 -0.09 -0.04 2.98 3.01 2b8hB1 TYR 208 HD2 0.04 0.07 -0.19 -0.04 7.15 7.03 2b8hB1 TYR 208 HE2 0.07 0.04 -0.13 -0.04 6.85 6.79 2b8hB1 ASN 209 H -0.53 0.48 0.18 -0.55 8.53 8.11 2b8hB1 ASN 209 HA -0.24 -0.07 0.39 -0.75 4.76 4.09 2b8hB1 ASN 209 HB2 -0.38 -0.08 -0.11 -0.04 2.88 2.26 2b8hB1 ASN 209 HB3 -0.04 0.23 0.18 -0.04 2.79 3.11 2b8hB1 ASN 209 HD21 -0.01 -0.01 0.03 -0.04 7.03 7.00 2b8hB1 ASN 209 HD22 0.01 0.03 0.04 -0.04 7.74 7.78 2b8hB1 ARG 210 H 0.06 0.06 -0.26 -0.55 8.46 7.77 2b8hB1 ARG 210 HA 0.26 0.02 0.18 -0.75 4.34 4.05 2b8hB1 ARG 210 HB2 0.07 0.23 -0.11 -0.04 1.90 2.05 2b8hB1 ARG 210 HB3 0.12 0.02 0.15 -0.04 1.80 2.05 2b8hB1 ARG 210 HG2 0.02 -0.01 -0.06 -0.04 1.67 1.57 2b8hB1 ARG 210 HG3 -0.00 -0.11 -0.32 -0.04 1.67 1.19 2b8hB1 ARG 210 HD2 -0.00 -0.02 -0.08 -0.04 3.22 3.08 2b8hB1 ARG 210 HD3 0.02 0.05 -0.04 -0.04 3.22 3.21 2b8hB1 ARG 211 H 0.18 0.22 -0.42 -0.55 8.46 7.89 2b8hB1 ARG 211 HA -0.08 0.16 0.78 -0.75 4.34 4.45 2b8hB1 ARG 211 HB2 0.01 0.07 -0.02 -0.04 1.90 1.91 2b8hB1 ARG 211 HB3 -0.09 0.07 -0.02 -0.04 1.80 1.71 2b8hB1 ARG 211 HG2 0.02 -0.00 -0.03 -0.04 1.67 1.62 2b8hB1 ARG 211 HG3 0.05 0.12 -0.31 -0.04 1.67 1.49 2b8hB1 ARG 211 HD2 0.02 0.00 -0.02 -0.04 3.22 3.18 2b8hB1 ARG 211 HD3 -0.01 -0.02 -0.01 -0.04 3.22 3.14 2b8hB1 PRO 212 HA -0.82 0.06 0.57 -0.51 4.44 3.73 2b8hB1 PRO 212 HB2 -0.52 0.04 -0.04 -0.04 2.28 1.71 2b8hB1 PRO 212 HB3 -1.41 -0.00 0.03 -0.04 2.02 0.60 2b8hB1 PRO 212 HG2 -0.42 0.04 0.10 -0.04 2.03 1.72 2b8hB1 PRO 212 HG3 -0.69 0.02 0.06 -0.04 2.03 1.38 2b8hB1 PRO 212 HD2 -0.41 0.11 0.22 -0.04 3.68 3.56 2b8hB1 PRO 212 HD3 -1.25 0.15 0.17 -0.04 3.65 2.68 2b8hB1 VAL 213 H -0.20 0.63 0.48 -0.55 8.24 8.60 2b8hB1 VAL 213 HA -0.08 0.15 0.94 -0.75 4.13 4.40 2b8hB1 VAL 213 HB 0.01 0.05 0.14 -0.04 2.12 2.27 2b8hB1 VAL 213 HG13 0.01 0.02 -0.14 -0.04 0.97 0.82 2b8hB1 VAL 213 HG23 0.05 0.02 -0.12 -0.04 0.95 0.85 2b8hB1 THR 214 H -0.06 0.38 0.40 -0.55 8.28 8.44 2b8hB1 THR 214 HA -0.00 0.14 0.89 -0.75 4.39 4.66 2b8hB1 THR 214 HB 0.09 -0.03 0.13 -0.04 4.32 4.46 2b8hB1 THR 214 HG23 0.11 -0.03 -0.01 -0.04 1.22 1.25 2b8hB1 GLU 215 H -0.01 0.24 0.23 -0.55 8.60 8.52 2b8hB1 GLU 215 HA -0.02 0.31 0.87 -0.75 4.29 4.69 2b8hB1 GLU 215 HB2 -0.02 -0.04 0.05 -0.04 2.09 2.04 2b8hB1 GLU 215 HB3 -0.03 0.05 0.05 -0.04 1.99 2.02 2b8hB1 GLU 215 HG2 -0.05 0.00 -0.06 -0.04 2.34 2.19 2b8hB1 GLU 215 HG3 -0.06 0.05 -0.08 -0.04 2.34 2.21 2b8hB1 ILE 216 H -0.05 0.68 0.23 -0.55 8.25 8.57 2b8hB1 ILE 216 HA -0.04 0.15 0.89 -0.75 4.18 4.44 2b8hB1 ILE 216 HB -0.20 -0.11 0.05 -0.04 1.89 1.59 2b8hB1 ILE 216 HG12 -0.09 0.11 -0.20 -0.04 1.49 1.27 2b8hB1 ILE 216 HG13 -0.06 -0.11 -0.59 -0.04 1.21 0.41 2b8hB1 ILE 216 HG23 -0.17 0.05 -0.08 -0.04 0.93 0.69 2b8hB1 ILE 216 HD13 -0.55 -0.01 -0.18 -0.04 0.88 0.10 2b8hB1 ASN 217 H -0.00 0.13 0.09 -0.55 8.53 8.21 2b8hB1 ASN 217 HA -0.04 0.11 0.81 -0.75 4.76 4.89 2b8hB1 ASN 217 HB2 0.00 -0.05 0.09 -0.04 2.88 2.88 2b8hB1 ASN 217 HB3 0.02 0.06 0.05 -0.04 2.79 2.89 2b8hB1 ASN 217 HD21 0.00 -0.03 0.00 -0.04 7.03 6.96 2b8hB1 ASN 217 HD22 0.02 0.01 -0.01 -0.04 7.74 7.72 2b8hB1 THR 218 H -0.08 0.56 0.28 -0.55 8.28 8.49 2b8hB1 THR 218 HA -0.42 -0.05 0.43 -0.75 4.39 3.60 2b8hB1 THR 218 HB -0.13 0.13 0.17 -0.04 4.32 4.45 2b8hB1 THR 218 HG23 -0.04 0.06 -0.01 -0.04 1.22 1.19 2b8hB1 TRP 219 H -0.82 0.01 0.18 -0.55 7.97 6.79 2b8hB1 TRP 219 HA -0.05 0.24 0.82 -0.75 4.62 4.89 2b8hB1 TRP 219 HB2 -0.08 0.02 0.06 -0.04 3.23 3.19 2b8hB1 TRP 219 HB3 -0.15 0.07 -0.01 -0.04 3.23 3.10 2b8hB1 TRP 219 HD1 -0.04 0.04 -0.24 -0.04 7.22 6.94 2b8hB1 TRP 219 HE1 -0.02 0.27 0.06 -0.04 10.20 10.46 2b8hB1 TRP 219 HE3 -0.23 0.18 -0.11 -0.04 7.59 7.39 2b8hB1 TRP 219 HZ2 0.03 0.08 -0.24 -0.04 7.44 7.28 2b8hB1 TRP 219 HZ3 -0.55 -0.01 -0.16 -0.04 7.13 6.36 2b8hB1 TRP 219 HH2 -0.24 -0.03 -0.17 -0.04 7.19 6.71 2b8hB1 ALA 220 H -0.41 -0.21 0.09 -0.55 8.40 7.32 2b8hB1 ALA 220 HA 0.05 0.31 0.83 -0.75 4.34 4.78 2b8hB1 ALA 220 HB3 -0.01 0.01 -0.19 -0.04 1.41 1.17 2b8hB1 ARG 221 H -0.16 -0.12 -0.07 -0.55 8.46 7.57 2b8hB1 ARG 221 HA -0.06 0.01 0.19 -0.75 4.34 3.73 2b8hB1 ARG 221 HB2 -0.00 0.16 -0.15 -0.04 1.90 1.87 2b8hB1 ARG 221 HB3 -0.01 -0.02 0.24 -0.04 1.80 1.97 2b8hB1 ARG 221 HG2 -0.00 0.20 0.04 -0.04 1.67 1.86 2b8hB1 ARG 221 HG3 -0.01 -0.10 -0.28 -0.04 1.67 1.24 2b8hB1 ARG 221 HD2 0.01 -0.01 -0.09 -0.04 3.22 3.10 2b8hB1 ARG 221 HD3 0.01 -0.02 -0.05 -0.04 3.22 3.12 2b8hB1 ASN 222 H -0.10 -0.08 -0.41 -0.55 8.53 7.40 2b8hB1 ASN 222 HA -0.02 0.17 0.48 -0.75 4.76 4.63 2b8hB1 ASN 222 HB2 -0.01 0.16 -0.35 -0.04 2.88 2.64 2b8hB1 ASN 222 HB3 -0.01 -0.19 -0.14 -0.04 2.79 2.42 2b8hB1 ASN 222 HD21 0.01 -0.01 0.01 -0.04 7.03 6.99 2b8hB1 ASN 222 HD22 0.02 -0.02 0.01 -0.04 7.74 7.70 2b8hB1 ILE 223 H 0.01 0.70 0.16 -0.55 8.25 8.57 2b8hB1 ILE 223 HA 0.15 0.04 0.33 -0.75 4.18 3.96 2b8hB1 ILE 223 HB 0.00 0.13 -0.01 -0.04 1.89 1.98 2b8hB1 ILE 223 HG12 -0.12 -0.05 0.02 -0.04 1.49 1.30 2b8hB1 ILE 223 HG13 -0.04 -0.14 -0.33 -0.04 1.21 0.66 2b8hB1 ILE 223 HG23 -0.11 0.02 -0.08 -0.04 0.93 0.72 2b8hB1 ILE 223 HD13 -0.10 0.01 -0.05 -0.04 0.88 0.70 2b8hB1 LEU 224 H -0.00 -0.05 -0.00 -0.55 8.37 7.76 2b8hB1 LEU 224 HA -0.23 0.22 0.73 -0.75 4.35 4.32 2b8hB1 LEU 224 HB2 -0.38 -0.17 0.08 -0.04 1.64 1.13 2b8hB1 LEU 224 HB3 -0.10 -0.05 -0.04 -0.04 1.64 1.41 2b8hB1 LEU 224 HG -0.06 0.03 -0.36 -0.04 1.64 1.21 2b8hB1 LEU 224 HD13 -0.81 0.03 -0.07 -0.04 0.93 0.03 2b8hB1 LEU 224 HD23 -0.23 -0.02 -0.30 -0.04 0.89 0.30 2b8hB1 ARG 225 H 0.07 0.50 0.39 -0.55 8.46 8.87 2b8hB1 ARG 225 HA 0.17 0.00 0.67 -0.75 4.34 4.42 2b8hB1 ARG 225 HB2 0.18 -0.04 0.09 -0.04 1.90 2.10 2b8hB1 ARG 225 HB3 0.25 0.11 -0.36 -0.04 1.80 1.76 2b8hB1 ARG 225 HG2 0.09 0.18 0.10 -0.04 1.67 2.00 2b8hB1 ARG 225 HG3 0.10 -0.09 -0.08 -0.04 1.67 1.56 2b8hB1 ARG 225 HD2 0.10 -0.04 -0.05 -0.04 3.22 3.19 2b8hB1 ARG 225 HD3 0.09 0.11 -0.05 -0.04 3.22 3.33 2b8hB1 THR 226 H 0.05 0.13 0.11 -0.55 8.28 8.04 2b8hB1 THR 226 HA -0.12 0.26 0.88 -0.75 4.39 4.66 2b8hB1 THR 226 HB -0.47 0.00 -0.26 -0.04 4.32 3.56 2b8hB1 THR 226 HG23 -0.16 0.02 -0.35 -0.04 1.22 0.69 2b8hB1 GLN 227 H -0.20 0.12 0.17 -0.55 8.47 8.01 2b8hB1 GLN 227 HA -0.07 -0.12 0.26 -0.75 4.36 3.67 2b8hB1 GLN 227 HB2 -0.18 0.02 0.28 -0.04 2.15 2.23 2b8hB1 GLN 227 HB3 -0.12 0.33 0.13 -0.04 2.02 2.32 2b8hB1 GLN 227 HG2 -0.10 -0.10 0.13 -0.04 2.40 2.29 2b8hB1 GLN 227 HG3 -0.18 0.03 0.22 -0.04 2.39 2.42 2b8hB1 GLN 227 HE21 -0.07 -0.03 -0.06 -0.04 6.97 6.76 2b8hB1 GLN 227 HE22 -0.12 0.17 -0.13 -0.04 7.69 7.57 2b8hB1 GLU 228 H -0.11 0.37 0.13 -0.55 8.60 8.45 2b8hB1 GLU 228 HA -0.05 0.02 0.37 -0.75 4.29 3.89 2b8hB1 GLU 228 HB2 0.15 0.16 0.36 -0.04 2.09 2.72 2b8hB1 GLU 228 HB3 0.23 -0.01 0.24 -0.04 1.99 2.40 2b8hB1 GLU 228 HG2 0.11 0.12 -0.26 -0.04 2.34 2.27 2b8hB1 GLU 228 HG3 0.32 -0.03 0.07 -0.04 2.34 2.66 2b8hB1 SER 229 H -0.33 0.18 -0.07 -0.55 8.46 7.69 2b8hB1 SER 229 HA -0.99 0.04 0.22 -0.75 4.49 3.00 2b8hB1 SER 229 HB2 0.13 -0.08 0.29 -0.04 3.95 4.25 2b8hB1 SER 229 HB3 0.14 0.18 0.07 -0.04 3.93 4.28 2b8hB1 GLU 230 H -0.08 0.20 0.28 -0.55 8.60 8.46 2b8hB1 GLU 230 HA -0.16 -0.07 0.47 -0.75 4.29 3.78 2b8hB1 GLU 230 HB2 0.05 0.10 0.38 -0.04 2.09 2.58 2b8hB1 GLU 230 HB3 0.08 -0.01 0.27 -0.04 1.99 2.30 2b8hB1 GLU 230 HG2 0.20 0.12 0.35 -0.04 2.34 2.97 2b8hB1 GLU 230 HG3 0.13 0.07 -0.12 -0.04 2.34 2.37 2b8hB1 CYS 231 H -0.04 0.06 0.11 -0.55 8.50 8.08 2b8hB1 CYS 231 HA -0.02 0.17 0.77 -0.75 4.58 4.74 2b8hB1 CYS 231 HB2 0.01 0.07 0.04 -0.04 2.97 3.05 2b8hB1 CYS 231 HB3 -0.03 0.02 0.11 -0.04 2.97 3.02 2b8hB1 VAL 232 H -0.01 0.37 0.13 -0.55 8.24 8.18 2b8hB1 VAL 232 HA -0.08 0.10 0.79 -0.75 4.13 4.19 2b8hB1 VAL 232 HB -0.06 0.02 -0.06 -0.04 2.12 1.98 2b8hB1 VAL 232 HG13 -0.36 0.01 -0.07 -0.04 0.97 0.51 2b8hB1 VAL 232 HG23 0.04 -0.01 -0.40 -0.04 0.95 0.53 2b8hB1 CYS 233 H -0.12 0.17 0.13 -0.55 8.50 8.14 2b8hB1 CYS 233 HA -0.00 0.43 0.96 -0.75 4.58 5.21 2b8hB1 CYS 233 HB2 0.09 -0.00 -0.03 -0.04 2.97 2.99 2b8hB1 CYS 233 HB3 0.03 -0.08 -0.24 -0.04 2.97 2.64 2b8hB1 GLN 234 H -0.03 0.66 0.18 -0.55 8.47 8.74 2b8hB1 GLN 234 HA -0.02 0.16 0.72 -0.75 4.36 4.47 2b8hB1 GLN 234 HB2 -0.03 -0.06 0.01 -0.04 2.15 2.03 2b8hB1 GLN 234 HB3 -0.01 0.08 -0.01 -0.04 2.02 2.03 2b8hB1 GLN 234 HG2 0.00 0.01 -0.09 -0.04 2.40 2.28 2b8hB1 GLN 234 HG3 -0.01 0.08 -0.28 -0.04 2.39 2.13 2b8hB1 GLN 234 HE21 0.02 -0.01 -0.02 -0.04 6.97 6.93 2b8hB1 GLN 234 HE22 0.01 0.06 -0.08 -0.04 7.69 7.64 2b8hB1 ASN 235 H 0.04 0.66 0.12 -0.55 8.53 8.81 2b8hB1 ASN 235 HA 0.07 0.04 0.19 -0.75 4.76 4.31 2b8hB1 ASN 235 HB2 0.02 -0.06 -0.08 -0.04 2.88 2.72 2b8hB1 ASN 235 HB3 -0.04 0.15 0.07 -0.04 2.79 2.92 2b8hB1 ASN 235 HD21 0.05 -0.01 0.04 -0.04 7.03 7.07 2b8hB1 ASN 235 HD22 0.00 0.03 0.05 -0.04 7.74 7.79 2b8hB1 GLY 236 H -0.19 0.11 -0.27 -0.55 8.43 7.52 2b8hB1 GLY 236 HA2 -0.71 -0.08 0.30 -0.51 4.01 3.01 2b8hB1 GLY 236 HA3 -1.42 0.13 0.55 -0.51 4.01 2.76 2b8hB1 VAL 237 H -0.14 0.49 -0.43 -0.55 8.24 7.61 2b8hB1 VAL 237 HA -0.02 0.34 0.88 -0.75 4.13 4.57 2b8hB1 VAL 237 HB -0.01 0.05 0.19 -0.04 2.12 2.31 2b8hB1 VAL 237 HG13 0.11 -0.00 -0.18 -0.04 0.97 0.85 2b8hB1 VAL 237 HG23 -0.07 0.03 -0.06 -0.04 0.95 0.81 2b8hB1 CYS 238 H 0.12 0.69 0.24 -0.55 8.50 8.99 2b8hB1 CYS 238 HA 0.06 0.35 0.96 -0.75 4.58 5.20 2b8hB1 CYS 238 HB2 0.17 -0.08 0.06 -0.04 2.97 3.08 2b8hB1 CYS 238 HB3 0.09 0.01 -0.18 -0.04 2.97 2.85 2b8hB1 PRO 239 HA -0.15 0.34 0.93 -0.51 4.44 5.06 2b8hB1 PRO 239 HB2 -0.13 -0.02 -0.15 -0.04 2.28 1.93 2b8hB1 PRO 239 HB3 -0.34 0.03 -0.03 -0.04 2.02 1.64 2b8hB1 PRO 239 HG2 -0.01 -0.01 0.04 -0.04 2.03 2.02 2b8hB1 PRO 239 HG3 0.09 -0.01 -0.06 -0.04 2.03 2.01 2b8hB1 PRO 239 HD2 0.03 0.40 0.37 -0.04 3.68 4.44 2b8hB1 PRO 239 HD3 0.12 0.12 -0.10 -0.04 3.65 3.75 2b8hB1 VAL 240 H 0.02 0.67 0.34 -0.55 8.24 8.72 2b8hB1 VAL 240 HA -0.03 0.12 0.75 -0.75 4.13 4.22 2b8hB1 VAL 240 HB 0.51 -0.02 -0.03 -0.04 2.12 2.54 2b8hB1 VAL 240 HG13 -0.45 -0.01 -0.25 -0.04 0.97 0.22 2b8hB1 VAL 240 HG23 0.13 0.02 -0.34 -0.04 0.95 0.72 2b8hB1 VAL 241 H -0.11 0.15 0.11 -0.55 8.24 7.85 2b8hB1 VAL 241 HA 0.08 0.31 1.01 -0.75 4.13 4.77 2b8hB1 VAL 241 HB -0.05 -0.08 0.04 -0.04 2.12 1.99 2b8hB1 VAL 241 HG13 0.01 0.02 -0.26 -0.04 0.97 0.70 2b8hB1 VAL 241 HG23 -0.07 -0.00 -0.18 -0.04 0.95 0.66 2b8hB1 PHE 242 H 0.41 0.80 0.42 -0.55 8.34 9.41 2b8hB1 PHE 242 HA 0.12 0.22 1.16 -0.75 4.62 5.36 2b8hB1 PHE 242 HB2 0.52 -0.04 0.02 -0.04 3.15 3.61 2b8hB1 PHE 242 HB3 0.35 0.04 -0.02 -0.04 3.06 3.38 2b8hB1 PHE 242 HD2 0.17 0.07 -0.20 -0.04 7.28 7.28 2b8hB1 PHE 242 HE2 0.14 -0.02 -0.22 -0.04 7.38 7.23 2b8hB1 PHE 242 HZ 0.03 -0.02 -0.22 -0.04 7.32 7.07 2b8hB1 THR 243 H 0.24 0.67 0.38 -0.55 8.28 9.03 2b8hB1 THR 243 HA 0.32 0.21 0.93 -0.75 4.39 5.09 2b8hB1 THR 243 HB 0.10 -0.03 0.06 -0.04 4.32 4.42 2b8hB1 THR 243 HG23 0.10 -0.01 -0.16 -0.04 1.22 1.11 2b8hB1 ASP 244 H 0.18 0.53 0.26 -0.55 8.40 8.82 2b8hB1 ASP 244 HA -0.19 0.25 0.41 -0.75 4.63 4.34 2b8hB1 ASP 244 HB2 -1.51 0.04 -0.03 -0.04 2.71 1.18 2b8hB1 ASP 244 HB3 -1.04 0.04 0.05 -0.04 2.70 1.72 2b8hB1 GLY 245 H -0.06 0.65 0.01 -0.55 8.43 8.49 2b8hB1 GLY 245 HA2 0.00 -0.03 0.30 -0.51 4.01 3.77 2b8hB1 GLY 245 HA3 0.05 0.25 1.05 -0.51 4.01 4.85 2b8hB1 SER 246 H 0.06 0.17 0.04 -0.55 8.46 8.18 2b8hB1 SER 246 HA 0.05 0.07 0.36 -0.75 4.49 4.21 2b8hB1 SER 246 HB2 0.05 0.10 0.11 -0.04 3.95 4.17 2b8hB1 SER 246 HB3 0.09 -0.06 0.09 -0.04 3.93 4.01 2b8hB1 ALA 247 H 0.07 0.11 0.14 -0.55 8.40 8.17 2b8hB1 ALA 247 HA 0.16 0.15 0.40 -0.75 4.34 4.29 2b8hB1 ALA 247 HB3 0.07 0.02 0.09 -0.04 1.41 1.54 2b8hB1 THR 248 H 0.13 -0.13 -0.35 -0.55 8.28 7.38 2b8hB1 THR 248 HA 0.24 0.24 0.78 -0.75 4.39 4.89 2b8hB1 THR 248 HB -0.04 0.01 0.04 -0.04 4.32 4.28 2b8hB1 THR 248 HG23 -0.06 -0.00 -0.14 -0.04 1.22 0.97 2b8hB1 GLY 249 H 0.18 0.04 -0.35 -0.55 8.43 7.76 2b8hB1 GLY 249 HA2 0.14 0.09 0.02 -0.51 4.01 3.74 2b8hB1 GLY 249 HA3 0.11 -0.04 0.24 -0.51 4.01 3.81 2b8hB1 PRO 250 HA 0.11 0.16 0.75 -0.51 4.44 4.96 2b8hB1 PRO 250 HB2 0.09 0.05 0.09 -0.04 2.28 2.47 2b8hB1 PRO 250 HB3 0.09 0.02 0.13 -0.04 2.02 2.22 2b8hB1 PRO 250 HG2 0.07 0.03 0.17 -0.04 2.03 2.26 2b8hB1 PRO 250 HG3 0.07 0.03 0.10 -0.04 2.03 2.19 2b8hB1 PRO 250 HD2 0.08 0.00 0.19 -0.04 3.68 3.91 2b8hB1 PRO 250 HD3 0.09 0.12 0.12 -0.04 3.65 3.93 2b8hB1 ALA 251 H 0.10 0.28 0.01 -0.55 8.40 8.25 2b8hB1 ALA 251 HA 0.10 0.19 0.82 -0.75 4.34 4.70 2b8hB1 ALA 251 HB3 0.09 0.03 -0.12 -0.04 1.41 1.37 2b8hB1 GLU 252 H 0.23 0.62 0.22 -0.55 8.60 9.13 2b8hB1 GLU 252 HA 0.12 0.13 0.46 -0.75 4.29 4.24 2b8hB1 GLU 252 HB2 0.47 -0.10 0.03 -0.04 2.09 2.46 2b8hB1 GLU 252 HB3 0.12 0.03 0.08 -0.04 1.99 2.18 2b8hB1 GLU 252 HG2 0.14 0.11 -0.22 -0.04 2.34 2.34 2b8hB1 GLU 252 HG3 0.23 -0.07 -0.71 -0.04 2.34 1.76 2b8hB1 THR 253 H 0.08 0.20 0.13 -0.55 8.28 8.14 2b8hB1 THR 253 HA 0.25 0.25 1.16 -0.75 4.39 5.30 2b8hB1 THR 253 HB 0.02 -0.02 0.17 -0.04 4.32 4.45 2b8hB1 THR 253 HG23 0.05 -0.00 -0.16 -0.04 1.22 1.06 2b8hB1 ARG 254 H 0.28 0.60 0.31 -0.55 8.46 9.10 2b8hB1 ARG 254 HA -0.00 0.28 0.96 -0.75 4.34 4.83 2b8hB1 ARG 254 HB2 -0.12 -0.08 -0.07 -0.04 1.90 1.59 2b8hB1 ARG 254 HB3 -0.33 0.02 -0.16 -0.04 1.80 1.30 2b8hB1 ARG 254 HG2 -0.34 0.04 -0.26 -0.04 1.67 1.07 2b8hB1 ARG 254 HG3 -0.53 -0.02 -0.45 -0.04 1.67 0.63 2b8hB1 ARG 254 HD2 -2.72 -0.04 -0.16 -0.04 3.22 0.26 2b8hB1 ARG 254 HD3 -2.10 -0.00 -0.18 -0.04 3.22 0.90 2b8hB1 ILE 255 H -0.05 0.69 0.24 -0.55 8.25 8.58 2b8hB1 ILE 255 HA 0.00 0.25 0.92 -0.75 4.18 4.59 2b8hB1 ILE 255 HB -0.21 -0.03 0.04 -0.04 1.89 1.66 2b8hB1 ILE 255 HG12 -0.18 -0.01 -0.21 -0.04 1.49 1.05 2b8hB1 ILE 255 HG13 -0.28 0.04 -0.21 -0.04 1.21 0.72 2b8hB1 ILE 255 HG23 -0.52 -0.00 -0.24 -0.04 0.93 0.12 2b8hB1 ILE 255 HD13 -0.45 -0.00 -0.20 -0.04 0.88 0.19 2b8hB1 TYR 256 H 0.27 0.59 0.26 -0.55 8.29 8.86 2b8hB1 TYR 256 HA -0.07 0.21 0.98 -0.75 4.56 4.92 2b8hB1 TYR 256 HB2 0.23 -0.00 0.07 -0.04 3.06 3.31 2b8hB1 TYR 256 HB3 -0.87 -0.00 -0.09 -0.04 2.98 1.97 2b8hB1 TYR 256 HD2 -0.13 0.01 -0.19 -0.04 7.15 6.81 2b8hB1 TYR 256 HE2 -0.63 0.00 -0.14 -0.04 6.85 6.05 2b8hB1 TYR 257 H 0.00 0.83 0.30 -0.55 8.29 8.87 2b8hB1 TYR 257 HA -0.01 0.15 0.85 -0.75 4.56 4.79 2b8hB1 TYR 257 HB2 -0.09 -0.03 0.14 -0.04 3.06 3.04 2b8hB1 TYR 257 HB3 -0.05 0.04 -0.06 -0.04 2.98 2.87 2b8hB1 TYR 257 HD2 -0.05 0.05 -0.25 -0.04 7.15 6.85 2b8hB1 TYR 257 HE2 -0.03 0.00 -0.26 -0.04 6.85 6.52 2b8hB1 PHE 258 H 0.23 0.52 0.10 -0.55 8.34 8.64 2b8hB1 PHE 258 HA 0.08 0.40 0.87 -0.75 4.62 5.22 2b8hB1 PHE 258 HB2 0.06 0.01 -0.00 -0.04 3.15 3.17 2b8hB1 PHE 258 HB3 0.03 -0.15 -0.17 -0.04 3.06 2.73 2b8hB1 PHE 258 HD2 0.09 0.13 -0.42 -0.04 7.28 7.04 2b8hB1 PHE 258 HE2 0.19 -0.00 -0.22 -0.04 7.38 7.31 2b8hB1 PHE 258 HZ -0.04 -0.01 -0.21 -0.04 7.32 7.02 2b8hB1 LYS 259 H 0.11 0.62 0.21 -0.55 8.42 8.80 2b8hB1 LYS 259 HA -0.06 0.32 0.62 -0.75 4.32 4.43 2b8hB1 LYS 259 HB2 -0.07 0.08 -0.05 -0.04 1.87 1.79 2b8hB1 LYS 259 HB3 -0.03 -0.01 0.03 -0.04 1.79 1.74 2b8hB1 LYS 259 HG2 -0.06 -0.04 -0.18 -0.04 1.46 1.14 2b8hB1 LYS 259 HG3 -0.22 -0.04 0.02 -0.04 1.46 1.18 2b8hB1 LYS 259 HD2 -0.18 0.05 -0.13 -0.04 1.69 1.39 2b8hB1 LYS 259 HD3 -0.06 -0.01 -0.06 -0.04 1.68 1.50 2b8hB1 LYS 259 HE2 0.03 -0.03 -0.03 -0.04 2.99 2.92 2b8hB1 LYS 259 HE3 -0.27 -0.08 -0.00 -0.04 2.99 2.59 2b8hB1 GLU 260 H -0.31 0.20 0.09 -0.55 8.60 8.04 2b8hB1 GLU 260 HA -1.99 -0.01 0.23 -0.75 4.29 1.77 2b8hB1 GLU 260 HB2 -0.17 0.14 0.08 -0.04 2.09 2.11 2b8hB1 GLU 260 HB3 -0.36 0.04 0.15 -0.04 1.99 1.78 2b8hB1 GLU 260 HG2 -0.11 -0.04 0.02 -0.04 2.34 2.16 2b8hB1 GLU 260 HG3 -0.02 -0.03 -0.07 -0.04 2.34 2.17 2b8hB1 GLY 261 H -0.18 0.05 -0.30 -0.55 8.43 7.45 2b8hB1 GLY 261 HA2 -0.03 -0.02 0.12 -0.51 4.01 3.58 2b8hB1 GLY 261 HA3 0.02 0.13 0.32 -0.51 4.01 3.97 2b8hB1 LYS 262 H 0.03 0.35 -0.62 -0.55 8.42 7.63 2b8hB1 LYS 262 HA 0.14 0.14 0.77 -0.75 4.32 4.62 2b8hB1 LYS 262 HB2 0.03 0.17 0.03 -0.04 1.87 2.06 2b8hB1 LYS 262 HB3 0.05 0.04 -0.08 -0.04 1.79 1.76 2b8hB1 LYS 262 HG2 0.03 -0.00 -0.05 -0.04 1.46 1.40 2b8hB1 LYS 262 HG3 0.02 0.04 -0.24 -0.04 1.46 1.23 2b8hB1 LYS 262 HD2 -0.00 0.03 -0.01 -0.04 1.69 1.66 2b8hB1 LYS 262 HD3 0.01 -0.02 -0.03 -0.04 1.68 1.60 2b8hB1 LYS 262 HE2 0.01 -0.00 -0.01 -0.04 2.99 2.95 2b8hB1 LYS 262 HE3 0.01 0.02 -0.01 -0.04 2.99 2.97 2b8hB1 ILE 263 H 0.13 0.14 0.08 -0.55 8.25 8.06 2b8hB1 ILE 263 HA -0.09 0.12 0.57 -0.75 4.18 4.03 2b8hB1 ILE 263 HB 0.11 0.01 0.10 -0.04 1.89 2.07 2b8hB1 ILE 263 HG12 -0.01 -0.00 -0.13 -0.04 1.49 1.31 2b8hB1 ILE 263 HG13 0.24 -0.04 -0.08 -0.04 1.21 1.29 2b8hB1 ILE 263 HG23 0.14 0.01 -0.24 -0.04 0.93 0.80 2b8hB1 ILE 263 HD13 0.15 0.00 -0.07 -0.04 0.88 0.93 2b8hB1 LEU 264 H -0.02 0.84 0.45 -0.55 8.37 9.10 2b8hB1 LEU 264 HA -0.01 0.10 0.78 -0.75 4.35 4.46 2b8hB1 LEU 264 HB2 0.00 0.03 0.05 -0.04 1.64 1.68 2b8hB1 LEU 264 HB3 -0.05 -0.03 0.03 -0.04 1.64 1.55 2b8hB1 LEU 264 HG 0.02 -0.01 -0.17 -0.04 1.64 1.43 2b8hB1 LEU 264 HD13 -0.03 -0.01 -0.13 -0.04 0.93 0.72 2b8hB1 LEU 264 HD23 -0.01 -0.01 -0.10 -0.04 0.89 0.73 2b8hB1 LYS 265 H 0.01 0.23 0.14 -0.55 8.42 8.25 2b8hB1 LYS 265 HA -0.11 0.07 0.61 -0.75 4.32 4.14 2b8hB1 LYS 265 HB2 -0.13 0.16 -0.43 -0.04 1.87 1.43 2b8hB1 LYS 265 HB3 -0.09 -0.08 -0.13 -0.04 1.79 1.45 2b8hB1 LYS 265 HG2 -0.14 0.04 -0.10 -0.04 1.46 1.21 2b8hB1 LYS 265 HG3 -0.21 -0.01 0.09 -0.04 1.46 1.29 2b8hB1 LYS 265 HD2 -0.22 -0.02 -0.02 -0.04 1.69 1.39 2b8hB1 LYS 265 HD3 -0.41 -0.02 -0.03 -0.04 1.68 1.17 2b8hB1 LYS 265 HE2 -0.16 -0.01 -0.02 -0.04 2.99 2.76 2b8hB1 LYS 265 HE3 -0.19 -0.08 0.02 -0.04 2.99 2.70 2b8hB1 TRP 266 H -0.39 0.26 0.22 -0.55 7.97 7.52 2b8hB1 TRP 266 HA -0.31 0.26 0.50 -0.75 4.62 4.32 2b8hB1 TRP 266 HB2 -1.29 0.05 0.05 -0.04 3.23 2.01 2b8hB1 TRP 266 HB3 -1.31 -0.06 0.09 -0.04 3.23 1.92 2b8hB1 TRP 266 HD1 -0.23 -0.03 -0.10 -0.04 7.22 6.81 2b8hB1 TRP 266 HE1 -0.13 -0.00 -0.04 -0.04 10.20 9.98 2b8hB1 TRP 266 HE3 -0.45 0.04 -0.47 -0.04 7.59 6.67 2b8hB1 TRP 266 HZ2 -0.16 -0.01 -0.04 -0.04 7.44 7.18 2b8hB1 TRP 266 HZ3 -0.29 0.01 -0.16 -0.04 7.13 6.65 2b8hB1 TRP 266 HH2 -0.22 0.00 -0.06 -0.04 7.19 6.88 2b8hB1 GLU 267 H 0.05 0.63 0.30 -0.55 8.60 9.03 2b8hB1 GLU 267 HA -0.27 0.15 0.64 -0.75 4.29 4.06 2b8hB1 GLU 267 HB2 0.00 0.07 0.13 -0.04 2.09 2.26 2b8hB1 GLU 267 HB3 -0.07 0.06 -0.11 -0.04 1.99 1.83 2b8hB1 GLU 267 HG2 0.18 -0.05 -0.04 -0.04 2.34 2.39 2b8hB1 GLU 267 HG3 0.16 0.04 -0.15 -0.04 2.34 2.35 2b8hB1 PRO 268 HA 0.09 0.20 0.71 -0.51 4.44 4.93 2b8hB1 PRO 268 HB2 0.06 0.12 0.04 -0.04 2.28 2.45 2b8hB1 PRO 268 HB3 0.15 -0.02 0.10 -0.04 2.02 2.21 2b8hB1 PRO 268 HG2 0.01 0.04 -0.05 -0.04 2.03 1.99 2b8hB1 PRO 268 HG3 -0.01 0.01 0.05 -0.04 2.03 2.04 2b8hB1 PRO 268 HD2 -0.11 0.09 0.25 -0.04 3.68 3.86 2b8hB1 PRO 268 HD3 -0.22 0.11 0.15 -0.04 3.65 3.66 2b8hB1 LEU 269 H 0.03 0.32 0.27 -0.55 8.37 8.45 2b8hB1 LEU 269 HA 0.02 -0.04 0.32 -0.75 4.35 3.89 2b8hB1 LEU 269 HB2 -0.02 0.01 0.09 -0.04 1.64 1.69 2b8hB1 LEU 269 HB3 -0.02 0.01 0.19 -0.04 1.64 1.78 2b8hB1 LEU 269 HG 0.02 0.20 -0.07 -0.04 1.64 1.75 2b8hB1 LEU 269 HD13 -0.12 -0.05 -0.14 -0.04 0.93 0.58 2b8hB1 LEU 269 HD23 -0.06 -0.04 -0.11 -0.04 0.89 0.64 2b8hB1 THR 270 H 0.62 0.06 0.14 -0.55 8.28 8.56 2b8hB1 THR 270 HA 0.03 0.23 0.71 -0.75 4.39 4.60 2b8hB1 THR 270 HB -0.05 -0.16 0.20 -0.04 4.32 4.27 2b8hB1 THR 270 HG23 0.01 0.05 -0.11 -0.04 1.22 1.13 2b8hB1 GLY 271 H -0.02 0.08 0.14 -0.55 8.43 8.08 2b8hB1 GLY 271 HA2 -0.01 0.02 0.40 -0.51 4.01 3.90 2b8hB1 GLY 271 HA3 0.00 -0.02 0.72 -0.51 4.01 4.20 2b8hB1 THR 272 H 0.03 0.24 0.09 -0.55 8.28 8.09 2b8hB1 THR 272 HA 0.05 0.18 0.56 -0.75 4.39 4.43 2b8hB1 THR 272 HB 0.13 0.23 0.18 -0.04 4.32 4.82 2b8hB1 THR 272 HG23 0.05 -0.02 0.06 -0.04 1.22 1.27 2b8hB1 ALA 273 H -0.00 0.04 -0.31 -0.55 8.40 7.58 2b8hB1 ALA 273 HA 0.05 0.10 0.54 -0.75 4.34 4.27 2b8hB1 ALA 273 HB3 -0.26 0.02 -0.08 -0.04 1.41 1.05 2b8hB1 LYS 274 H 0.04 -0.01 0.01 -0.55 8.42 7.91 2b8hB1 LYS 274 HA -0.20 0.28 0.45 -0.75 4.32 4.10 2b8hB1 LYS 274 HB2 -0.09 -0.11 0.13 -0.04 1.87 1.76 2b8hB1 LYS 274 HB3 -0.77 0.03 -0.04 -0.04 1.79 0.97 2b8hB1 LYS 274 HG2 0.04 0.17 -0.36 -0.04 1.46 1.27 2b8hB1 LYS 274 HG3 0.02 -0.01 -0.05 -0.04 1.46 1.37 2b8hB1 LYS 274 HD2 -0.10 -0.05 -0.09 -0.04 1.69 1.40 2b8hB1 LYS 274 HD3 -0.15 0.04 -0.21 -0.04 1.68 1.31 2b8hB1 LYS 274 HE2 0.02 0.01 -0.08 -0.04 2.99 2.90 2b8hB1 LYS 274 HE3 -0.01 -0.08 -0.07 -0.04 2.99 2.78 2b8hB1 HIS 275 H -0.02 0.06 0.06 -0.55 8.41 7.97 2b8hB1 HIS 275 HA -0.17 0.21 0.42 -0.75 4.63 4.33 2b8hB1 HIS 275 HB2 -0.17 -0.20 0.22 -0.04 3.26 3.08 2b8hB1 HIS 275 HB3 -0.36 0.13 0.03 -0.04 3.20 2.95 2b8hB1 HIS 275 HD2 -0.25 -0.04 0.03 -0.04 6.97 6.67 2b8hB1 HIS 275 HE1 -0.95 0.05 -0.05 -0.04 7.75 6.76 2b8hB1 ILE 276 H -0.02 0.32 0.11 -0.55 8.25 8.11 2b8hB1 ILE 276 HA 0.02 0.24 0.33 -0.75 4.18 4.02 2b8hB1 ILE 276 HB -0.03 0.08 -0.12 -0.04 1.89 1.77 2b8hB1 ILE 276 HG12 -0.05 0.05 -0.26 -0.04 1.49 1.19 2b8hB1 ILE 276 HG13 -0.06 -0.16 -0.44 -0.04 1.21 0.50 2b8hB1 ILE 276 HG23 -0.02 -0.01 -0.36 -0.04 0.93 0.50 2b8hB1 ILE 276 HD13 -0.10 0.01 -0.30 -0.04 0.88 0.45 2b8hB1 GLU 277 H 0.02 0.67 0.32 -0.55 8.60 9.07 2b8hB1 GLU 277 HA 0.03 0.05 -0.09 -0.75 4.29 3.52 2b8hB1 GLU 277 HB2 0.03 0.01 0.02 -0.04 2.09 2.11 2b8hB1 GLU 277 HB3 0.06 0.09 0.15 -0.04 1.99 2.25 2b8hB1 GLU 277 HG2 0.06 -0.02 -0.23 -0.04 2.34 2.11 2b8hB1 GLU 277 HG3 0.04 0.01 -0.19 -0.04 2.34 2.16 2b8hB1 GLU 278 H 0.01 0.17 -0.00 -0.55 8.60 8.22 2b8hB1 GLU 278 HA -0.03 0.17 0.39 -0.75 4.29 4.06 2b8hB1 GLU 278 HB2 -0.08 -0.01 -0.12 -0.04 2.09 1.84 2b8hB1 GLU 278 HB3 -0.14 0.07 0.25 -0.04 1.99 2.13 2b8hB1 GLU 278 HG2 0.02 0.15 0.06 -0.04 2.34 2.52 2b8hB1 GLU 278 HG3 0.02 -0.11 -0.03 -0.04 2.34 2.17 2b8hB1 CYS 279 H -0.04 -0.06 -0.12 -0.55 8.50 7.73 2b8hB1 CYS 279 HA -0.03 0.19 0.43 -0.75 4.58 4.41 2b8hB1 CYS 279 HB2 -0.06 -0.09 0.02 -0.04 2.97 2.80 2b8hB1 CYS 279 HB3 -0.05 -0.01 -0.19 -0.04 2.97 2.68 2b8hB1 SER 280 H -0.01 0.67 0.43 -0.55 8.46 9.01 2b8hB1 SER 280 HA 0.02 0.09 0.93 -0.75 4.49 4.77 2b8hB1 SER 280 HB2 0.09 0.12 0.53 -0.04 3.95 4.65 2b8hB1 SER 280 HB3 0.09 -0.33 0.28 -0.04 3.93 3.92 2b8hB1 CYS 281 H 0.03 0.31 0.28 -0.55 8.50 8.58 2b8hB1 CYS 281 HA -0.05 0.36 1.10 -0.75 4.58 5.24 2b8hB1 CYS 281 HB2 -0.00 0.08 0.02 -0.04 2.97 3.02 2b8hB1 CYS 281 HB3 -0.05 -0.02 -0.03 -0.04 2.97 2.83 2b8hB1 TYR 282 H -0.22 0.66 0.46 -0.55 8.29 8.63 2b8hB1 TYR 282 HA 0.17 0.05 0.50 -0.75 4.56 4.53 2b8hB1 TYR 282 HB2 0.23 -0.04 0.09 -0.04 3.06 3.30 2b8hB1 TYR 282 HB3 0.02 0.08 -0.08 -0.04 2.98 2.96 2b8hB1 TYR 282 HD2 -0.04 0.06 -0.18 -0.04 7.15 6.95 2b8hB1 TYR 282 HE2 0.01 0.09 -0.00 -0.04 6.85 6.90 2b8hB1 GLY 283 H 0.41 0.15 0.18 -0.55 8.43 8.63 2b8hB1 GLY 283 HA2 0.03 0.38 1.18 -0.51 4.01 5.08 2b8hB1 GLY 283 HA3 -0.01 -0.01 0.33 -0.51 4.01 3.81 2b8hB1 GLU 284 H 0.13 0.73 0.33 -0.55 8.60 9.24 2b8hB1 GLU 284 HA 0.42 0.07 0.44 -0.75 4.29 4.47 2b8hB1 GLU 284 HB2 0.22 -0.02 0.18 -0.04 2.09 2.44 2b8hB1 GLU 284 HB3 0.40 0.08 0.07 -0.04 1.99 2.50 2b8hB1 GLU 284 HG2 0.45 -0.01 -0.26 -0.04 2.34 2.49 2b8hB1 GLU 284 HG3 0.19 0.04 -0.02 -0.04 2.34 2.51 2b8hB1 GLN 285 H 0.16 0.39 0.01 -0.55 8.47 8.48 2b8hB1 GLN 285 HA 0.06 0.07 0.23 -0.75 4.36 3.97 2b8hB1 GLN 285 HB2 0.07 0.10 -0.17 -0.04 2.15 2.11 2b8hB1 GLN 285 HB3 0.05 0.01 0.08 -0.04 2.02 2.12 2b8hB1 GLN 285 HG2 0.03 0.02 -0.24 -0.04 2.40 2.17 2b8hB1 GLN 285 HG3 0.08 -0.06 -0.18 -0.04 2.39 2.19 2b8hB1 GLN 285 HE21 0.05 0.00 -0.02 -0.04 6.97 6.97 2b8hB1 GLN 285 HE22 0.08 -0.07 -0.00 -0.04 7.69 7.66 2b8hB1 ALA 286 H 0.08 0.36 0.05 -0.55 8.40 8.34 2b8hB1 ALA 286 HA 0.03 -0.11 0.32 -0.75 4.34 3.83 2b8hB1 ALA 286 HB3 0.02 0.02 0.04 -0.04 1.41 1.45 2b8hB1 GLY 287 H 0.05 0.27 -0.20 -0.55 8.43 8.00 2b8hB1 GLY 287 HA2 0.01 0.17 1.05 -0.51 4.01 4.74 2b8hB1 GLY 287 HA3 0.02 0.03 0.25 -0.51 4.01 3.80 2b8hB1 VAL 288 H -0.01 0.87 0.41 -0.55 8.24 8.96 2b8hB1 VAL 288 HA -0.09 0.24 1.12 -0.75 4.13 4.64 2b8hB1 VAL 288 HB -0.02 -0.05 0.12 -0.04 2.12 2.13 2b8hB1 VAL 288 HG13 -0.07 -0.00 -0.18 -0.04 0.97 0.68 2b8hB1 VAL 288 HG23 -0.03 -0.00 -0.19 -0.04 0.95 0.69 2b8hB1 THR 289 H -0.39 0.70 0.41 -0.55 8.28 8.44 2b8hB1 THR 289 HA -0.16 0.23 1.06 -0.75 4.39 4.76 2b8hB1 THR 289 HB -1.13 -0.02 0.18 -0.04 4.32 3.30 2b8hB1 THR 289 HG23 -0.09 -0.01 -0.06 -0.04 1.22 1.02 2b8hB1 CYS 290 H -0.10 0.67 0.37 -0.55 8.50 8.89 2b8hB1 CYS 290 HA -0.07 0.35 0.92 -0.75 4.58 5.03 2b8hB1 CYS 290 HB2 -0.07 -0.07 0.09 -0.04 2.97 2.88 2b8hB1 CYS 290 HB3 -0.06 -0.02 -0.15 -0.04 2.97 2.71 2b8hB1 THR 291 H -0.01 0.72 0.41 -0.55 8.28 8.86 2b8hB1 THR 291 HA -0.03 0.20 1.01 -0.75 4.39 4.81 2b8hB1 THR 291 HB 0.03 -0.02 0.30 -0.04 4.32 4.59 2b8hB1 THR 291 HG23 -0.03 0.05 -0.18 -0.04 1.22 1.01 2b8hB1 CYS 292 H -0.05 0.58 0.20 -0.55 8.50 8.69 2b8hB1 CYS 292 HA -0.03 0.29 0.69 -0.75 4.58 4.77 2b8hB1 CYS 292 HB2 -0.06 -0.02 -0.13 -0.04 2.97 2.73 2b8hB1 CYS 292 HB3 -0.03 0.06 -0.06 -0.04 2.97 2.90 2b8hB1 ARG 293 H -0.01 0.43 0.23 -0.55 8.46 8.56 2b8hB1 ARG 293 HA 0.03 0.10 0.78 -0.75 4.34 4.50 2b8hB1 ARG 293 HB2 -0.03 0.10 -0.11 -0.04 1.90 1.82 2b8hB1 ARG 293 HB3 0.01 -0.07 -0.01 -0.04 1.80 1.69 2b8hB1 ARG 293 HG2 0.05 0.02 -0.36 -0.04 1.67 1.34 2b8hB1 ARG 293 HG3 0.03 0.02 -0.00 -0.04 1.67 1.67 2b8hB1 ARG 293 HD2 0.02 -0.17 -0.38 -0.04 3.22 2.65 2b8hB1 ARG 293 HD3 -0.06 0.06 -0.59 -0.04 3.22 2.60 2b8hB1 ASP 294 H 0.10 0.20 0.09 -0.55 8.40 8.24 2b8hB1 ASP 294 HA 0.12 0.16 0.69 -0.75 4.63 4.84 2b8hB1 ASP 294 HB2 0.27 -0.01 0.08 -0.04 2.71 3.01 2b8hB1 ASP 294 HB3 0.22 0.20 0.17 -0.04 2.70 3.25 2b8hB1 ASN 295 H 0.14 0.89 0.29 -0.55 8.53 9.31 2b8hB1 ASN 295 HA 0.15 0.06 0.47 -0.75 4.76 4.68 2b8hB1 ASN 295 HB2 0.21 0.00 0.06 -0.04 2.88 3.11 2b8hB1 ASN 295 HB3 0.13 -0.06 -0.05 -0.04 2.79 2.77 2b8hB1 ASN 295 HD21 0.09 -0.12 -0.40 -0.04 7.03 6.56 2b8hB1 ASN 295 HD22 0.10 -0.04 -0.29 -0.04 7.74 7.47 2b8hB1 TRP 296 H 0.34 -0.06 -0.19 -0.55 7.97 7.52 2b8hB1 TRP 296 HA -0.04 0.27 0.94 -0.75 4.62 5.03 2b8hB1 TRP 296 HB2 -0.01 -0.12 0.10 -0.04 3.23 3.16 2b8hB1 TRP 296 HB3 -0.07 -0.00 -0.04 -0.04 3.23 3.08 2b8hB1 TRP 296 HD1 -0.10 0.11 -0.37 -0.04 7.22 6.82 2b8hB1 TRP 296 HE1 -0.14 0.12 -0.04 -0.04 10.20 10.10 2b8hB1 TRP 296 HE3 -0.12 -0.03 -0.01 -0.04 7.59 7.39 2b8hB1 TRP 296 HZ2 -0.08 0.27 -0.04 -0.04 7.44 7.54 2b8hB1 TRP 296 HZ3 0.01 -0.04 -0.01 -0.04 7.13 7.05 2b8hB1 TRP 296 HH2 -0.01 -0.03 -0.00 -0.04 7.19 7.12 2b8hB1 GLN 297 H 0.25 0.03 -0.13 -0.55 8.47 8.08 2b8hB1 GLN 297 HA 0.09 0.34 0.32 -0.75 4.36 4.35 2b8hB1 GLN 297 HB2 0.13 -0.10 -0.00 -0.04 2.15 2.13 2b8hB1 GLN 297 HB3 0.07 0.07 -0.11 -0.04 2.02 2.01 2b8hB1 GLN 297 HG2 0.03 0.20 -0.00 -0.04 2.40 2.59 2b8hB1 GLN 297 HG3 0.08 0.02 -0.30 -0.04 2.39 2.14 2b8hB1 GLN 297 HE21 0.01 0.01 -0.08 -0.04 6.97 6.87 2b8hB1 GLN 297 HE22 0.09 -0.04 -0.09 -0.04 7.69 7.60 2b8hB1 GLY 298 H 0.08 0.66 0.06 -0.55 8.43 8.69 2b8hB1 GLY 298 HA2 0.11 0.01 0.61 -0.51 4.01 4.22 2b8hB1 GLY 298 HA3 0.08 0.01 0.32 -0.51 4.01 3.91 2b8hB1 SER 299 H 0.11 0.19 0.10 -0.55 8.46 8.31 2b8hB1 SER 299 HA 0.06 0.12 0.40 -0.75 4.49 4.31 2b8hB1 SER 299 HB2 0.14 -0.01 0.03 -0.04 3.95 4.07 2b8hB1 SER 299 HB3 0.15 0.16 -0.01 -0.04 3.93 4.19 2b8hB1 ASN 300 H 0.11 0.10 0.22 -0.55 8.53 8.42 2b8hB1 ASN 300 HA 0.05 0.09 0.96 -0.75 4.76 5.10 2b8hB1 ASN 300 HB2 0.09 0.28 0.16 -0.04 2.88 3.36 2b8hB1 ASN 300 HB3 0.03 0.04 0.12 -0.04 2.79 2.94 2b8hB1 ASN 300 HD21 -0.01 0.07 -0.02 -0.04 7.03 7.04 2b8hB1 ASN 300 HD22 0.14 0.53 0.01 -0.04 7.74 8.37 2b8hB1 ARG 301 H 0.06 0.14 0.18 -0.55 8.46 8.30 2b8hB1 ARG 301 HA 0.10 0.09 0.31 -0.75 4.34 4.09 2b8hB1 ARG 301 HB2 0.00 -0.11 0.07 -0.04 1.90 1.82 2b8hB1 ARG 301 HB3 -0.01 0.22 0.04 -0.04 1.80 2.01 2b8hB1 ARG 301 HG2 0.02 -0.01 -0.02 -0.04 1.67 1.63 2b8hB1 ARG 301 HG3 0.01 -0.11 -0.06 -0.04 1.67 1.47 2b8hB1 ARG 301 HD2 -0.05 -0.08 -0.08 -0.04 3.22 2.97 2b8hB1 ARG 301 HD3 -0.02 0.16 -0.09 -0.04 3.22 3.23 2b8hB1 PRO 302 HA -0.59 0.23 0.86 -0.51 4.44 4.44 2b8hB1 PRO 302 HB2 -0.28 0.02 -0.21 -0.04 2.28 1.78 2b8hB1 PRO 302 HB3 -0.71 -0.01 -0.02 -0.04 2.02 1.23 2b8hB1 PRO 302 HG2 -0.08 -0.07 -0.30 -0.04 2.03 1.54 2b8hB1 PRO 302 HG3 -0.05 0.01 -0.34 -0.04 2.03 1.61 2b8hB1 PRO 302 HD2 0.01 0.24 -0.05 -0.04 3.68 3.85 2b8hB1 PRO 302 HD3 0.13 0.19 0.13 -0.04 3.65 4.06 2b8hB1 VAL 303 H -0.22 0.72 0.32 -0.55 8.24 8.52 2b8hB1 VAL 303 HA -0.07 0.33 1.07 -0.75 4.13 4.70 2b8hB1 VAL 303 HB -0.04 -0.05 -0.12 -0.04 2.12 1.87 2b8hB1 VAL 303 HG13 -0.02 -0.01 -0.23 -0.04 0.97 0.67 2b8hB1 VAL 303 HG23 -0.02 0.00 -0.27 -0.04 0.95 0.62 2b8hB1 ILE 304 H -0.06 0.64 0.32 -0.55 8.25 8.60 2b8hB1 ILE 304 HA -0.01 0.29 1.03 -0.75 4.18 4.75 2b8hB1 ILE 304 HB -0.06 -0.07 0.04 -0.04 1.89 1.76 2b8hB1 ILE 304 HG12 -0.04 0.08 -0.10 -0.04 1.49 1.39 2b8hB1 ILE 304 HG13 -0.07 -0.11 -0.53 -0.04 1.21 0.46 2b8hB1 ILE 304 HG23 -0.03 0.02 -0.15 -0.04 0.93 0.72 2b8hB1 ILE 304 HD13 -0.08 -0.01 -0.22 -0.04 0.88 0.54 2b8hB1 GLN 305 H 0.03 0.50 0.23 -0.55 8.47 8.68 2b8hB1 GLN 305 HA -0.03 0.28 1.05 -0.75 4.36 4.91 2b8hB1 GLN 305 HB2 -0.01 -0.01 -0.06 -0.04 2.15 2.03 2b8hB1 GLN 305 HB3 0.01 -0.08 0.12 -0.04 2.02 2.03 2b8hB1 GLN 305 HG2 0.01 -0.04 -0.07 -0.04 2.40 2.25 2b8hB1 GLN 305 HG3 0.01 -0.01 -0.24 -0.04 2.39 2.11 2b8hB1 GLN 305 HE21 -0.02 -0.05 -0.29 -0.04 6.97 6.56 2b8hB1 GLN 305 HE22 0.00 -0.00 -0.14 -0.04 7.69 7.51 2b8hB1 ILE 306 H -0.01 0.87 0.35 -0.55 8.25 8.92 2b8hB1 ILE 306 HA 0.12 0.22 0.92 -0.75 4.18 4.68 2b8hB1 ILE 306 HB 0.02 -0.03 0.08 -0.04 1.89 1.91 2b8hB1 ILE 306 HG12 0.03 0.03 -0.24 -0.04 1.49 1.27 2b8hB1 ILE 306 HG13 -0.00 -0.05 -0.38 -0.04 1.21 0.74 2b8hB1 ILE 306 HG23 0.17 -0.00 -0.30 -0.04 0.93 0.76 2b8hB1 ILE 306 HD13 -0.09 -0.01 -0.22 -0.04 0.88 0.53 2b8hB1 ASP 307 H 0.08 0.84 0.35 -0.55 8.40 9.12 2b8hB1 ASP 307 HA 0.02 0.26 0.91 -0.75 4.63 5.06 2b8hB1 ASP 307 HB2 0.01 0.08 0.09 -0.04 2.71 2.84 2b8hB1 ASP 307 HB3 0.00 -0.05 0.27 -0.04 2.70 2.88 2b8hB1 PRO 308 HA 0.10 0.12 0.49 -0.51 4.44 4.63 2b8hB1 PRO 308 HB2 0.03 0.10 0.05 -0.04 2.28 2.42 2b8hB1 PRO 308 HB3 0.07 0.05 -0.01 -0.04 2.02 2.09 2b8hB1 PRO 308 HG2 0.01 0.01 -0.08 -0.04 2.03 1.93 2b8hB1 PRO 308 HG3 0.01 -0.01 -0.16 -0.04 2.03 1.84 2b8hB1 PRO 308 HD2 0.02 0.44 0.32 -0.04 3.68 4.42 2b8hB1 PRO 308 HD3 0.03 0.20 0.10 -0.04 3.65 3.94 2b8hB1 VAL 309 H -0.02 0.01 -0.32 -0.55 8.24 7.35 2b8hB1 VAL 309 HA -0.05 0.23 0.73 -0.75 4.13 4.29 2b8hB1 VAL 309 HB -0.03 -0.08 0.12 -0.04 2.12 2.10 2b8hB1 VAL 309 HG13 -0.03 0.01 -0.06 -0.04 0.97 0.85 2b8hB1 VAL 309 HG23 -0.01 0.02 -0.03 -0.04 0.95 0.89 2b8hB1 ALA 310 H -0.06 -0.00 0.01 -0.55 8.40 7.81 2b8hB1 ALA 310 HA -0.09 0.12 0.43 -0.75 4.34 4.05 2b8hB1 ALA 310 HB3 -0.06 -0.01 0.04 -0.04 1.41 1.34 2b8hB1 MET 311 H -0.15 0.10 -0.38 -0.55 8.47 7.49 2b8hB1 MET 311 HA -0.57 0.05 0.23 -0.75 4.52 3.47 2b8hB1 MET 311 HB2 -0.49 0.15 0.14 -0.04 2.15 1.91 2b8hB1 MET 311 HB3 -1.63 -0.08 0.02 -0.04 2.03 0.30 2b8hB1 MET 311 HG2 -0.43 0.02 -0.21 -0.04 2.63 1.97 2b8hB1 MET 311 HG3 -0.28 0.14 -0.60 -0.04 2.56 1.78 2b8hB1 MET 311 HE3 -0.19 0.02 -0.11 -0.04 2.10 1.78 2b8hB1 THR 312 H -0.03 0.24 0.15 -0.55 8.28 8.08 2b8hB1 THR 312 HA 0.06 0.22 0.77 -0.75 4.39 4.68 2b8hB1 THR 312 HB -0.07 0.04 0.09 -0.04 4.32 4.34 2b8hB1 THR 312 HG23 -0.09 0.04 -0.23 -0.04 1.22 0.90 2b8hB1 HIS 313 H -0.12 0.27 0.20 -0.55 8.41 8.22 2b8hB1 HIS 313 HA 0.02 0.27 1.03 -0.75 4.63 5.19 2b8hB1 HIS 313 HB2 0.00 0.08 0.02 -0.04 3.26 3.33 2b8hB1 HIS 313 HB3 0.06 -0.05 -0.23 -0.04 3.20 2.93 2b8hB1 HIS 313 HD2 -0.02 0.10 -0.33 -0.04 6.97 6.68 2b8hB1 HIS 313 HE1 -0.00 0.22 -0.06 -0.04 7.75 7.87 2b8hB1 THR 314 H 0.07 0.54 0.40 -0.55 8.28 8.75 2b8hB1 THR 314 HA -0.10 0.11 0.55 -0.75 4.39 4.19 2b8hB1 THR 314 HB -0.02 0.01 0.19 -0.04 4.32 4.46 2b8hB1 THR 314 HG23 -0.05 -0.00 -0.06 -0.04 1.22 1.07 2b8hB1 SER 315 H 0.00 0.18 0.29 -0.55 8.46 8.39 2b8hB1 SER 315 HA -0.01 0.32 0.77 -0.75 4.49 4.83 2b8hB1 SER 315 HB2 -0.05 0.02 0.18 -0.04 3.95 4.05 2b8hB1 SER 315 HB3 0.07 0.07 -0.02 -0.04 3.93 4.01 2b8hB1 GLN 316 H -0.10 0.60 0.41 -0.55 8.47 8.84 2b8hB1 GLN 316 HA 0.07 0.03 0.51 -0.75 4.36 4.22 2b8hB1 GLN 316 HB2 0.07 0.16 0.28 -0.04 2.15 2.61 2b8hB1 GLN 316 HB3 0.02 0.03 -0.18 -0.04 2.02 1.86 2b8hB1 GLN 316 HG2 -0.01 -0.10 -0.18 -0.04 2.40 2.07 2b8hB1 GLN 316 HG3 0.03 0.26 -0.16 -0.04 2.39 2.48 2b8hB1 GLN 316 HE21 0.03 -0.11 -0.06 -0.04 6.97 6.79 2b8hB1 GLN 316 HE22 0.04 0.21 0.05 -0.04 7.69 7.95 2b8hB1 TYR 317 H 0.22 0.60 0.22 -0.55 8.29 8.77 2b8hB1 TYR 317 HA 0.02 0.11 0.83 -0.75 4.56 4.77 2b8hB1 TYR 317 HB2 0.03 -0.06 -0.38 -0.04 3.06 2.61 2b8hB1 TYR 317 HB3 0.03 0.16 -0.22 -0.04 2.98 2.92 2b8hB1 TYR 317 HD2 0.03 0.07 -0.50 -0.04 7.15 6.72 2b8hB1 TYR 317 HE2 0.04 0.17 -0.21 -0.04 6.85 6.81 2b8hB1 ILE 318 H 0.10 0.63 0.15 -0.55 8.25 8.57 2b8hB1 ILE 318 HA 0.05 -0.01 0.69 -0.75 4.18 4.16 2b8hB1 ILE 318 HB 0.05 -0.07 0.18 -0.04 1.89 2.01 2b8hB1 ILE 318 HG12 0.02 -0.11 -0.08 -0.04 1.49 1.29 2b8hB1 ILE 318 HG13 0.02 0.07 -0.05 -0.04 1.21 1.21 2b8hB1 ILE 318 HG23 0.01 -0.01 -0.18 -0.04 0.93 0.71 2b8hB1 ILE 318 HD13 -0.01 -0.02 -0.07 -0.04 0.88 0.75 2b8hB1 CYS 319 H 0.05 0.30 0.15 -0.55 8.50 8.44 2b8hB1 CYS 319 HA 0.05 0.18 -0.03 -0.75 4.58 4.03 2b8hB1 CYS 319 HB2 0.02 -0.01 -0.66 -0.04 2.97 2.28 2b8hB1 CYS 319 HB3 0.02 -0.18 -0.55 -0.04 2.97 2.22 2b8hB1 SER 320 H 0.01 0.16 -0.20 -0.55 8.46 7.88 2b8hB1 SER 320 HA -0.02 0.13 0.34 -0.75 4.49 4.19 2b8hB1 SER 320 HB2 -0.02 -0.12 0.10 -0.04 3.95 3.87 2b8hB1 SER 320 HB3 -0.02 0.01 0.01 -0.04 3.93 3.88 2b8hB1 PRO 321 HA -0.15 0.05 0.43 -0.51 4.44 4.26 2b8hB1 PRO 321 HB2 -0.09 0.21 -0.24 -0.04 2.28 2.12 2b8hB1 PRO 321 HB3 -0.09 -0.13 -0.63 -0.04 2.02 1.13 2b8hB1 PRO 321 HG2 -0.05 0.11 -0.24 -0.04 2.03 1.80 2b8hB1 PRO 321 HG3 -0.04 0.22 -0.28 -0.04 2.03 1.89 2b8hB1 PRO 321 HD2 -0.03 0.08 -0.08 -0.04 3.68 3.61 2b8hB1 PRO 321 HD3 -0.03 0.30 -0.21 -0.04 3.65 3.67 2b8hB1 VAL 322 H -0.06 0.06 -0.48 -0.55 8.24 7.20 2b8hB1 VAL 322 HA -0.08 0.08 0.70 -0.75 4.13 4.08 2b8hB1 VAL 322 HB -0.06 -0.08 0.01 -0.04 2.12 1.94 2b8hB1 VAL 322 HG13 -0.07 -0.00 -0.17 -0.04 0.97 0.68 2b8hB1 VAL 322 HG23 -0.06 0.03 -0.03 -0.04 0.95 0.85 2b8hB1 LEU 323 H -0.09 0.18 0.03 -0.55 8.37 7.94 2b8hB1 LEU 323 HA -0.05 0.04 0.51 -0.75 4.35 4.09 2b8hB1 LEU 323 HB2 -0.07 0.07 -0.01 -0.04 1.64 1.59 2b8hB1 LEU 323 HB3 -0.04 -0.00 -0.10 -0.04 1.64 1.45 2b8hB1 LEU 323 HG -0.20 0.16 -0.11 -0.04 1.64 1.45 2b8hB1 LEU 323 HD13 -0.26 0.02 -0.15 -0.04 0.93 0.49 2b8hB1 LEU 323 HD23 -0.18 -0.03 -0.24 -0.04 0.89 0.40 2b8hB1 THR 324 H -0.02 0.18 0.32 -0.55 8.28 8.21 2b8hB1 THR 324 HA -0.07 0.30 1.11 -0.75 4.39 4.98 2b8hB1 THR 324 HB -0.12 0.20 0.32 -0.04 4.32 4.69 2b8hB1 THR 324 HG23 -0.10 0.00 -0.31 -0.04 1.22 0.78 2b8hB1 ASP 325 H 0.01 0.30 0.15 -0.55 8.40 8.30 2b8hB1 ASP 325 HA 0.02 0.14 0.67 -0.75 4.63 4.70 2b8hB1 ASP 325 HB2 0.05 -0.07 -0.00 -0.04 2.71 2.64 2b8hB1 ASP 325 HB3 0.05 0.18 -0.15 -0.04 2.70 2.74 2b8hB1 ASN 326 H 0.05 0.09 0.03 -0.55 8.53 8.16 2b8hB1 ASN 326 HA 0.04 0.07 0.04 -0.75 4.76 4.16 2b8hB1 ASN 326 HB2 0.05 0.15 -0.20 -0.04 2.88 2.83 2b8hB1 ASN 326 HB3 0.08 -0.07 -0.14 -0.04 2.79 2.62 2b8hB1 ASN 326 HD21 0.07 -0.26 -0.60 -0.04 7.03 6.19 2b8hB1 ASN 326 HD22 0.04 0.26 -0.28 -0.04 7.74 7.72 2b8hB1 PRO 327 HA 0.04 0.24 0.16 -0.51 4.44 4.37 2b8hB1 PRO 327 HB2 0.04 -0.03 0.03 -0.04 2.28 2.28 2b8hB1 PRO 327 HB3 0.04 -0.00 0.25 -0.04 2.02 2.26 2b8hB1 PRO 327 HG2 0.04 -0.12 0.04 -0.04 2.03 1.95 2b8hB1 PRO 327 HG3 0.04 0.07 0.09 -0.04 2.03 2.18 2b8hB1 PRO 327 HD2 0.05 -0.02 0.14 -0.04 3.68 3.81 2b8hB1 PRO 327 HD3 0.05 0.17 0.03 -0.04 3.65 3.86 2b8hB1 ARG 328 H 0.03 0.72 0.31 -0.55 8.46 8.96 2b8hB1 ARG 328 HA 0.05 0.18 0.64 -0.75 4.34 4.46 2b8hB1 ARG 328 HB2 0.02 -0.01 0.06 -0.04 1.90 1.93 2b8hB1 ARG 328 HB3 0.02 -0.04 -0.48 -0.04 1.80 1.27 2b8hB1 ARG 328 HG2 0.01 -0.05 -0.07 -0.04 1.67 1.52 2b8hB1 ARG 328 HG3 0.00 -0.02 -0.15 -0.04 1.67 1.47 2b8hB1 ARG 328 HD2 -0.03 -0.11 -0.19 -0.04 3.22 2.85 2b8hB1 ARG 328 HD3 -0.02 0.13 -0.29 -0.04 3.22 3.00 2b8hB1 PRO 329 HA 0.05 -0.02 0.72 -0.51 4.44 4.68 2b8hB1 PRO 329 HB2 0.11 0.24 -0.09 -0.04 2.28 2.50 2b8hB1 PRO 329 HB3 0.16 -0.06 0.14 -0.04 2.02 2.21 2b8hB1 PRO 329 HG2 0.30 0.00 0.03 -0.04 2.03 2.32 2b8hB1 PRO 329 HG3 0.18 0.22 0.18 -0.04 2.03 2.57 2b8hB1 PRO 329 HD2 0.07 0.05 0.25 -0.04 3.68 4.01 2b8hB1 PRO 329 HD3 0.09 0.14 0.26 -0.04 3.65 4.10 2b8hB1 ASN 330 H 0.03 0.01 0.13 -0.55 8.53 8.15 2b8hB1 ASN 330 HA -0.02 0.08 0.59 -0.75 4.76 4.66 2b8hB1 ASN 330 HB2 0.01 -0.04 0.06 -0.04 2.88 2.87 2b8hB1 ASN 330 HB3 -0.01 0.08 0.02 -0.04 2.79 2.84 2b8hB1 ASN 330 HD21 0.01 -0.03 0.03 -0.04 7.03 7.00 2b8hB1 ASN 330 HD22 0.01 -0.01 0.05 -0.04 7.74 7.75 2b8hB1 ASP 331 H -0.05 0.03 0.16 -0.55 8.40 8.00 2b8hB1 ASP 331 HA -0.15 0.17 0.46 -0.75 4.63 4.36 2b8hB1 ASP 331 HB2 -0.06 -0.16 0.18 -0.04 2.71 2.64 2b8hB1 ASP 331 HB3 -0.08 0.20 0.05 -0.04 2.70 2.83 2b8hB1 PRO 332 HA -0.03 0.07 0.69 -0.51 4.44 4.66 2b8hB1 PRO 332 HB2 -0.01 -0.18 0.22 -0.04 2.28 2.27 2b8hB1 PRO 332 HB3 -0.02 0.01 0.15 -0.04 2.02 2.11 2b8hB1 PRO 332 HG2 -0.24 -0.01 -0.25 -0.04 2.03 1.49 2b8hB1 PRO 332 HG3 -0.92 0.02 0.08 -0.04 2.03 1.16 2b8hB1 PRO 332 HD2 -0.30 0.30 0.25 -0.04 3.68 3.89 2b8hB1 PRO 332 HD3 -0.52 0.23 0.21 -0.04 3.65 3.54 2b8hB1 THR 333 H -0.00 0.04 0.17 -0.55 8.28 7.94 2b8hB1 THR 333 HA -0.03 0.19 0.77 -0.75 4.39 4.57 2b8hB1 THR 333 HB 0.01 -0.04 0.10 -0.04 4.32 4.35 2b8hB1 THR 333 HG23 -0.00 -0.01 -0.01 -0.04 1.22 1.16 2b8hB1 VAL 334 H 0.01 0.09 0.12 -0.55 8.24 7.91 2b8hB1 VAL 334 HA 0.00 0.40 0.99 -0.75 4.13 4.76 2b8hB1 VAL 334 HB 0.05 -0.05 0.09 -0.04 2.12 2.17 2b8hB1 VAL 334 HG13 0.03 0.04 0.00 -0.04 0.97 1.00 2b8hB1 VAL 334 HG23 0.01 -0.03 -0.12 -0.04 0.95 0.77 2b8hB1 GLY 335 H 0.00 0.48 0.23 -0.55 8.43 8.60 2b8hB1 GLY 335 HA2 0.00 0.11 0.78 -0.51 4.01 4.39 2b8hB1 GLY 335 HA3 -0.02 0.22 0.08 -0.51 4.01 3.77 2b8hB1 LYS 336 H 0.06 0.34 0.11 -0.55 8.42 8.37 2b8hB1 LYS 336 HA 0.05 0.07 0.89 -0.75 4.32 4.58 2b8hB1 LYS 336 HB2 0.05 0.05 -0.01 -0.04 1.87 1.91 2b8hB1 LYS 336 HB3 -0.01 -0.13 -0.13 -0.04 1.79 1.47 2b8hB1 LYS 336 HG2 0.13 0.06 -0.50 -0.04 1.46 1.11 2b8hB1 LYS 336 HG3 0.09 0.01 -0.22 -0.04 1.46 1.30 2b8hB1 LYS 336 HD2 -0.03 0.00 -0.16 -0.04 1.69 1.47 2b8hB1 LYS 336 HD3 0.01 -0.06 -0.04 -0.04 1.68 1.54 2b8hB1 LYS 336 HE2 0.01 0.04 -0.09 -0.04 2.99 2.90 2b8hB1 LYS 336 HE3 -0.05 0.02 -0.07 -0.04 2.99 2.85 2b8hB1 CYS 337 H 0.03 0.09 0.14 -0.55 8.50 8.22 2b8hB1 CYS 337 HA 0.08 0.29 0.47 -0.75 4.58 4.68 2b8hB1 CYS 337 HB2 0.04 -0.04 0.06 -0.04 2.97 2.99 2b8hB1 CYS 337 HB3 0.05 0.02 0.06 -0.04 2.97 3.07 2b8hB1 ASN 338 H 0.02 0.02 0.00 -0.55 8.53 8.03 2b8hB1 ASN 338 HA 0.20 0.12 0.84 -0.75 4.76 5.17 2b8hB1 ASN 338 HB2 0.03 -0.01 0.00 -0.04 2.88 2.86 2b8hB1 ASN 338 HB3 0.06 0.02 0.16 -0.04 2.79 2.99 2b8hB1 ASN 338 HD21 0.04 0.02 -0.06 -0.04 7.03 6.98 2b8hB1 ASN 338 HD22 0.03 -0.01 -0.05 -0.04 7.74 7.66 2b8hB1 ASP 339 H -0.15 0.20 -0.05 -0.55 8.40 7.85 2b8hB1 ASP 339 HA -0.33 0.20 0.54 -0.75 4.63 4.28 2b8hB1 ASP 339 HB2 -0.10 -0.09 -0.14 -0.04 2.71 2.33 2b8hB1 ASP 339 HB3 -0.12 0.15 0.01 -0.04 2.70 2.70 2b8hB1 PRO 340 HA -0.28 0.08 0.66 -0.51 4.44 4.39 2b8hB1 PRO 340 HB2 0.00 0.13 -0.12 -0.04 2.28 2.25 2b8hB1 PRO 340 HB3 0.02 0.14 0.16 -0.04 2.02 2.29 2b8hB1 PRO 340 HG2 0.03 0.02 0.03 -0.04 2.03 2.06 2b8hB1 PRO 340 HG3 0.08 -0.04 0.08 -0.04 2.03 2.10 2b8hB1 PRO 340 HD2 -0.13 0.09 0.18 -0.04 3.68 3.78 2b8hB1 PRO 340 HD3 -0.33 0.12 0.11 -0.04 3.65 3.51 2b8hB1 TYR 341 H 0.10 0.02 0.17 -0.55 8.29 8.03 2b8hB1 TYR 341 HA -0.04 0.09 0.49 -0.75 4.56 4.35 2b8hB1 TYR 341 HB2 -0.02 -0.02 0.11 -0.04 3.06 3.09 2b8hB1 TYR 341 HB3 -0.01 -0.09 0.10 -0.04 2.98 2.94 2b8hB1 TYR 341 HD2 -0.01 -0.01 -0.08 -0.04 7.15 7.02 2b8hB1 TYR 341 HE2 -0.01 -0.01 0.05 -0.04 6.85 6.85 2b8hB1 PRO 342 HA -0.08 0.01 0.37 -0.51 4.44 4.22 2b8hB1 PRO 342 HB2 -0.20 -0.00 0.07 -0.04 2.28 2.11 2b8hB1 PRO 342 HB3 -0.13 0.01 0.07 -0.04 2.02 1.92 2b8hB1 PRO 342 HG2 -0.44 0.00 0.09 -0.04 2.03 1.64 2b8hB1 PRO 342 HG3 -0.24 0.03 0.08 -0.04 2.03 1.86 2b8hB1 PRO 342 HD2 -1.59 0.08 0.19 -0.04 3.68 2.32 2b8hB1 PRO 342 HD3 -0.41 0.15 0.18 -0.04 3.65 3.53 2b8hB1 GLY 343 H 0.01 0.13 0.15 -0.55 8.43 8.17 2b8hB1 GLY 343 HA2 0.06 0.13 0.68 -0.51 4.01 4.37 2b8hB1 GLY 343 HA3 0.07 0.17 0.15 -0.51 4.01 3.90 2b8hB1 ASN 344 H 0.05 0.27 0.12 -0.55 8.53 8.43 2b8hB1 ASN 344 HA 0.00 0.19 0.80 -0.75 4.76 5.00 2b8hB1 ASN 344 HB2 0.01 -0.15 0.16 -0.04 2.88 2.85 2b8hB1 ASN 344 HB3 0.02 0.05 0.05 -0.04 2.79 2.86 2b8hB1 ASN 344 HD21 0.04 0.09 -0.11 -0.04 7.03 7.01 2b8hB1 ASN 344 HD22 0.02 -0.09 -0.00 -0.04 7.74 7.63 2b8hB1 ASN 345 H -0.01 0.01 0.20 -0.55 8.53 8.19 2b8hB1 ASN 345 HA 0.02 0.38 0.32 -0.75 4.76 4.73 2b8hB1 ASN 345 HB2 -0.09 0.02 0.12 -0.04 2.88 2.89 2b8hB1 ASN 345 HB3 -0.06 -0.11 0.16 -0.04 2.79 2.73 2b8hB1 ASN 345 HD21 -0.42 -0.03 0.14 -0.04 7.03 6.68 2b8hB1 ASN 345 HD22 -0.11 0.33 0.31 -0.04 7.74 8.24 2b8hB1 ASN 346 H 0.01 -0.04 0.07 -0.55 8.53 8.03 2b8hB1 ASN 346 HA 0.02 0.19 -0.20 -0.75 4.76 4.02 2b8hB1 ASN 346 HB2 0.01 0.04 0.05 -0.04 2.88 2.93 2b8hB1 ASN 346 HB3 0.00 0.01 0.07 -0.04 2.79 2.84 2b8hB1 ASN 346 HD21 -0.03 -0.01 0.02 -0.04 7.03 6.97 2b8hB1 ASN 346 HD22 -0.02 0.02 0.01 -0.04 7.74 7.71 2b8hB1 ASN 347 H 0.05 0.02 -0.14 -0.55 8.53 7.91 2b8hB1 ASN 347 HA 0.06 0.17 0.90 -0.75 4.76 5.14 2b8hB1 ASN 347 HB2 0.05 0.05 0.15 -0.04 2.88 3.09 2b8hB1 ASN 347 HB3 0.03 0.01 -0.52 -0.04 2.79 2.28 2b8hB1 ASN 347 HD21 0.03 -0.01 0.01 -0.04 7.03 7.02 2b8hB1 ASN 347 HD22 0.04 0.02 0.06 -0.04 7.74 7.82 2b8hB1 GLY 348 H 0.07 0.05 -0.00 -0.55 8.43 8.00 2b8hB1 GLY 348 HA2 0.06 0.31 0.22 -0.51 4.01 4.08 2b8hB1 GLY 348 HA3 0.06 -0.07 0.32 -0.51 4.01 3.81 2b8hB1 VAL 349 H 0.03 0.21 0.18 -0.55 8.24 8.11 2b8hB1 VAL 349 HA 0.07 0.06 0.82 -0.75 4.13 4.32 2b8hB1 VAL 349 HB 0.11 0.13 -0.22 -0.04 2.12 2.11 2b8hB1 VAL 349 HG13 0.07 -0.04 -0.12 -0.04 0.97 0.84 2b8hB1 VAL 349 HG23 0.24 0.02 -0.03 -0.04 0.95 1.14 2b8hB1 LYS 350 H -0.63 0.07 0.18 -0.55 8.42 7.49 2b8hB1 LYS 350 HA -0.19 0.12 0.71 -0.75 4.32 4.20 2b8hB1 LYS 350 HB2 -0.81 -0.03 0.22 -0.04 1.87 1.21 2b8hB1 LYS 350 HB3 -1.15 -0.18 0.27 -0.04 1.79 0.69 2b8hB1 LYS 350 HG2 -0.10 0.22 0.01 -0.04 1.46 1.56 2b8hB1 LYS 350 HG3 -0.14 0.27 0.22 -0.04 1.46 1.77 2b8hB1 LYS 350 HD2 -0.11 0.01 0.11 -0.04 1.69 1.67 2b8hB1 LYS 350 HD3 0.05 -0.16 0.03 -0.04 1.68 1.56 2b8hB1 LYS 350 HE2 0.12 0.11 -0.45 -0.04 2.99 2.73 2b8hB1 LYS 350 HE3 0.13 -0.08 -0.10 -0.04 2.99 2.91 2b8hB1 GLY 351 H -0.04 0.30 0.29 -0.55 8.43 8.44 2b8hB1 GLY 351 HA2 0.10 0.01 0.58 -0.51 4.01 4.20 2b8hB1 GLY 351 HA3 0.02 0.10 0.31 -0.51 4.01 3.93 2b8hB1 PHE 352 H -0.21 0.27 0.19 -0.55 8.34 8.04 2b8hB1 PHE 352 HA -0.05 0.19 0.75 -0.75 4.62 4.76 2b8hB1 PHE 352 HB2 -0.10 -0.01 0.14 -0.04 3.15 3.14 2b8hB1 PHE 352 HB3 -0.09 0.04 -0.25 -0.04 3.06 2.72 2b8hB1 PHE 352 HD2 -0.19 0.02 -0.28 -0.04 7.28 6.79 2b8hB1 PHE 352 HE2 -0.18 -0.01 -0.20 -0.04 7.38 6.96 2b8hB1 PHE 352 HZ -1.41 -0.03 -0.22 -0.04 7.32 5.62 2b8hB1 SER 353 H 0.05 0.33 0.26 -0.55 8.46 8.55 2b8hB1 SER 353 HA -0.32 0.09 0.44 -0.75 4.49 3.94 2b8hB1 SER 353 HB2 -0.02 0.07 0.11 -0.04 3.95 4.07 2b8hB1 SER 353 HB3 -0.14 0.14 0.01 -0.04 3.93 3.90 2b8hB1 TYR 354 H 0.25 0.75 0.28 -0.55 8.29 9.02 2b8hB1 TYR 354 HA 0.03 0.11 0.67 -0.75 4.56 4.61 2b8hB1 TYR 354 HB2 0.23 0.01 0.19 -0.04 3.06 3.45 2b8hB1 TYR 354 HB3 0.01 0.01 0.02 -0.04 2.98 2.98 2b8hB1 TYR 354 HD2 -0.27 -0.01 -0.11 -0.04 7.15 6.72 2b8hB1 TYR 354 HE2 -0.25 0.04 -0.07 -0.04 6.85 6.53 2b8hB1 LEU 355 H 0.38 0.27 -0.02 -0.55 8.37 8.45 2b8hB1 LEU 355 HA 0.15 0.07 0.65 -0.75 4.35 4.46 2b8hB1 LEU 355 HB2 0.17 0.06 0.10 -0.04 1.64 1.92 2b8hB1 LEU 355 HB3 0.11 -0.07 -0.03 -0.04 1.64 1.60 2b8hB1 LEU 355 HG 0.15 -0.03 -0.30 -0.04 1.64 1.43 2b8hB1 LEU 355 HD13 0.05 0.02 -0.13 -0.04 0.93 0.84 2b8hB1 LEU 355 HD23 0.07 0.02 -0.21 -0.04 0.89 0.73 2b8hB1 ASP 356 H 0.13 0.14 -0.07 -0.55 8.40 8.06 2b8hB1 ASP 356 HA 0.13 0.17 0.63 -0.75 4.63 4.80 2b8hB1 ASP 356 HB2 0.18 0.04 -0.45 -0.04 2.71 2.44 2b8hB1 ASP 356 HB3 0.14 0.14 -0.20 -0.04 2.70 2.74 2b8hB1 GLY 357 H 0.07 0.13 0.05 -0.55 8.43 8.14 2b8hB1 GLY 357 HA2 0.04 0.06 0.37 -0.51 4.01 3.97 2b8hB1 GLY 357 HA3 0.04 0.11 0.37 -0.51 4.01 4.02 2b8hB1 GLY 358 H 0.03 0.21 0.23 -0.55 8.43 8.35 2b8hB1 GLY 358 HA2 0.00 0.01 0.59 -0.51 4.01 4.09 2b8hB1 GLY 358 HA3 0.02 0.09 0.39 -0.51 4.01 4.00 2b8hB1 ASN 359 H 0.07 0.44 -0.33 -0.55 8.53 8.15 2b8hB1 ASN 359 HA 0.13 0.21 0.69 -0.75 4.76 5.03 2b8hB1 ASN 359 HB2 0.07 -0.05 0.04 -0.04 2.88 2.89 2b8hB1 ASN 359 HB3 0.09 0.10 0.10 -0.04 2.79 3.05 2b8hB1 ASN 359 HD21 -0.02 0.28 0.05 -0.04 7.03 7.29 2b8hB1 ASN 359 HD22 0.05 -0.03 -0.04 -0.04 7.74 7.68 2b8hB1 THR 360 H 0.03 0.17 -0.54 -0.55 8.28 7.39 2b8hB1 THR 360 HA 0.22 0.20 0.54 -0.75 4.39 4.60 2b8hB1 THR 360 HB 0.01 0.10 0.13 -0.04 4.32 4.52 2b8hB1 THR 360 HG23 0.07 -0.00 -0.10 -0.04 1.22 1.14 2b8hB1 TRP 361 H 0.47 0.45 0.36 -0.55 7.97 8.70 2b8hB1 TRP 361 HA 0.10 0.29 1.00 -0.75 4.62 5.25 2b8hB1 TRP 361 HB2 0.42 -0.06 -0.01 -0.04 3.23 3.54 2b8hB1 TRP 361 HB3 0.31 0.01 -0.21 -0.04 3.23 3.30 2b8hB1 TRP 361 HD1 0.07 0.07 -0.53 -0.04 7.22 6.79 2b8hB1 TRP 361 HE1 -0.06 0.29 -0.08 -0.04 10.20 10.30 2b8hB1 TRP 361 HE3 0.33 -0.02 -0.50 -0.04 7.59 7.36 2b8hB1 TRP 361 HZ2 -0.03 0.11 -0.29 -0.04 7.44 7.19 2b8hB1 TRP 361 HZ3 0.31 0.00 -0.46 -0.04 7.13 6.94 2b8hB1 TRP 361 HH2 0.16 0.06 -0.33 -0.04 7.19 7.04 2b8hB1 LEU 362 H 0.14 0.69 0.33 -0.55 8.37 8.98 2b8hB1 LEU 362 HA -0.12 0.07 0.90 -0.75 4.35 4.45 2b8hB1 LEU 362 HB2 -0.07 -0.01 0.01 -0.04 1.64 1.52 2b8hB1 LEU 362 HB3 -0.11 0.16 -0.01 -0.04 1.64 1.64 2b8hB1 LEU 362 HG -0.03 -0.05 -0.10 -0.04 1.64 1.42 2b8hB1 LEU 362 HD13 -0.05 0.01 -0.09 -0.04 0.93 0.76 2b8hB1 LEU 362 HD23 -0.01 -0.02 -0.22 -0.04 0.89 0.61 2b8hB1 GLY 363 H -0.56 0.37 0.31 -0.55 8.43 8.00 2b8hB1 GLY 363 HA2 -0.36 0.30 1.11 -0.51 4.01 4.56 2b8hB1 GLY 363 HA3 -0.48 -0.07 0.36 -0.51 4.01 3.31 2b8hB1 ARG 364 H -0.81 0.47 0.35 -0.55 8.46 7.92 2b8hB1 ARG 364 HA -0.26 0.12 0.34 -0.75 4.34 3.78 2b8hB1 ARG 364 HB2 -0.14 0.15 0.14 -0.04 1.90 2.00 2b8hB1 ARG 364 HB3 -0.18 0.08 0.02 -0.04 1.80 1.67 2b8hB1 ARG 364 HG2 -0.21 -0.16 -0.22 -0.04 1.67 1.04 2b8hB1 ARG 364 HG3 -0.19 0.05 -0.34 -0.04 1.67 1.15 2b8hB1 ARG 364 HD2 -0.09 0.23 0.01 -0.04 3.22 3.33 2b8hB1 ARG 364 HD3 -0.11 -0.05 -0.21 -0.04 3.22 2.81 2b8hB1 THR 365 H -0.07 0.23 0.07 -0.55 8.28 7.96 2b8hB1 THR 365 HA -0.03 0.13 0.49 -0.75 4.39 4.23 2b8hB1 THR 365 HB 0.08 -0.03 0.10 -0.04 4.32 4.44 2b8hB1 THR 365 HG23 0.18 -0.02 0.03 -0.04 1.22 1.37 2b8hB1 ILE 366 H 0.01 0.20 0.11 -0.55 8.25 8.01 2b8hB1 ILE 366 HA -0.05 0.12 0.31 -0.75 4.18 3.80 2b8hB1 ILE 366 HB -0.00 -0.03 0.18 -0.04 1.89 1.99 2b8hB1 ILE 366 HG12 -0.03 0.07 -0.12 -0.04 1.49 1.36 2b8hB1 ILE 366 HG13 -0.02 -0.05 -0.17 -0.04 1.21 0.92 2b8hB1 ILE 366 HG23 -0.01 -0.03 -0.07 -0.04 0.93 0.78 2b8hB1 ILE 366 HD13 0.02 -0.03 0.03 -0.04 0.88 0.87 2b8hB1 SER 367 H 0.02 0.39 0.20 -0.55 8.46 8.52 2b8hB1 SER 367 HA 0.01 -0.02 0.50 -0.75 4.49 4.23 2b8hB1 SER 367 HB2 0.03 0.01 0.17 -0.04 3.95 4.11 2b8hB1 SER 367 HB3 0.06 0.25 0.25 -0.04 3.93 4.45 2b8hB1 VAL 368 H 0.01 0.05 0.20 -0.55 8.24 7.95 2b8hB1 VAL 368 HA 0.01 0.36 0.79 -0.75 4.13 4.53 2b8hB1 VAL 368 HB 0.01 0.24 0.05 -0.04 2.12 2.38 2b8hB1 VAL 368 HG13 -0.00 0.00 0.00 -0.04 0.97 0.93 2b8hB1 VAL 368 HG23 0.02 -0.05 -0.10 -0.04 0.95 0.78 2b8hB1 ALA 369 H 0.04 -0.14 -0.06 -0.55 8.40 7.70 2b8hB1 ALA 369 HA 0.04 0.20 0.96 -0.75 4.34 4.79 2b8hB1 ALA 369 HB3 0.04 -0.00 0.01 -0.04 1.41 1.41 2b8hB1 SER 370 H 0.08 -0.03 0.06 -0.55 8.46 8.03 2b8hB1 SER 370 HA 0.10 0.31 0.82 -0.75 4.49 4.97 2b8hB1 SER 370 HB2 0.24 -0.01 0.06 -0.04 3.95 4.19 2b8hB1 SER 370 HB3 0.14 0.05 -0.11 -0.04 3.93 3.96 2b8hB1 ARG 371 H 0.17 0.18 0.03 -0.55 8.46 8.29 2b8hB1 ARG 371 HA 0.18 0.20 0.55 -0.75 4.34 4.51 2b8hB1 ARG 371 HB2 0.15 -0.01 0.17 -0.04 1.90 2.16 2b8hB1 ARG 371 HB3 0.19 -0.03 -0.04 -0.04 1.80 1.89 2b8hB1 ARG 371 HG2 0.16 0.08 -0.05 -0.04 1.67 1.82 2b8hB1 ARG 371 HG3 0.12 -0.00 -0.17 -0.04 1.67 1.59 2b8hB1 ARG 371 HD2 0.07 -0.04 0.05 -0.04 3.22 3.25 2b8hB1 ARG 371 HD3 0.11 -0.06 0.06 -0.04 3.22 3.30 2b8hB1 SER 372 H 0.16 0.60 0.08 -0.55 8.46 8.75 2b8hB1 SER 372 HA 0.17 0.08 0.91 -0.75 4.49 4.89 2b8hB1 SER 372 HB2 -0.23 0.15 -0.08 -0.04 3.95 3.74 2b8hB1 SER 372 HB3 0.24 -0.05 -0.35 -0.04 3.93 3.73 2b8hB1 GLY 373 H 0.04 0.68 0.17 -0.55 8.43 8.78 2b8hB1 GLY 373 HA2 0.06 0.16 -0.07 -0.51 4.01 3.65 2b8hB1 GLY 373 HA3 0.03 -0.07 0.48 -0.51 4.01 3.94 2b8hB1 TYR 374 H 0.14 0.62 0.35 -0.55 8.29 8.84 2b8hB1 TYR 374 HA 0.04 0.32 0.47 -0.75 4.56 4.63 2b8hB1 TYR 374 HB2 0.10 0.07 -0.13 -0.04 3.06 3.06 2b8hB1 TYR 374 HB3 0.12 -0.17 -0.01 -0.04 2.98 2.88 2b8hB1 TYR 374 HD2 0.05 -0.03 -0.15 -0.04 7.15 6.98 2b8hB1 TYR 374 HE2 -0.19 0.03 -0.12 -0.04 6.85 6.53 2b8hB1 GLU 375 H -0.61 0.74 0.33 -0.55 8.60 8.51 2b8hB1 GLU 375 HA 0.08 0.01 0.82 -0.75 4.29 4.45 2b8hB1 GLU 375 HB2 0.03 0.03 0.04 -0.04 2.09 2.16 2b8hB1 GLU 375 HB3 -0.01 -0.09 -0.14 -0.04 1.99 1.71 2b8hB1 GLU 375 HG2 -0.18 0.17 -0.11 -0.04 2.34 2.17 2b8hB1 GLU 375 HG3 -0.11 0.02 -0.33 -0.04 2.34 1.88 2b8hB1 MET 376 H 0.12 0.79 0.37 -0.55 8.47 9.20 2b8hB1 MET 376 HA -0.05 0.34 1.03 -0.75 4.52 5.10 2b8hB1 MET 376 HB2 0.19 -0.04 0.06 -0.04 2.15 2.32 2b8hB1 MET 376 HB3 0.35 0.00 -0.13 -0.04 2.03 2.21 2b8hB1 MET 376 HG2 -0.23 -0.06 -0.25 -0.04 2.63 2.05 2b8hB1 MET 376 HG3 -1.34 -0.03 -0.21 -0.04 2.56 0.93 2b8hB1 MET 376 HE3 -0.30 -0.02 -0.41 -0.04 2.10 1.33 2b8hB1 LEU 377 H 0.15 0.76 0.30 -0.55 8.37 9.03 2b8hB1 LEU 377 HA 0.06 0.17 1.08 -0.75 4.35 4.90 2b8hB1 LEU 377 HB2 -0.05 -0.00 0.02 -0.04 1.64 1.57 2b8hB1 LEU 377 HB3 -0.08 0.04 0.01 -0.04 1.64 1.56 2b8hB1 LEU 377 HG -0.01 -0.08 -0.50 -0.04 1.64 1.01 2b8hB1 LEU 377 HD13 -0.06 0.02 -0.12 -0.04 0.93 0.73 2b8hB1 LEU 377 HD23 0.01 -0.01 -0.01 -0.04 0.89 0.84 2b8hB1 LYS 378 H -0.59 0.65 0.20 -0.55 8.42 8.12 2b8hB1 LYS 378 HA -1.25 0.22 0.77 -0.75 4.32 3.31 2b8hB1 LYS 378 HB2 -2.23 -0.01 -0.04 -0.04 1.87 -0.46 2b8hB1 LYS 378 HB3 -0.67 -0.17 0.17 -0.04 1.79 1.08 2b8hB1 LYS 378 HG2 -0.53 -0.01 -0.14 -0.04 1.46 0.74 2b8hB1 LYS 378 HG3 -1.34 0.05 -0.10 -0.04 1.46 0.02 2b8hB1 LYS 378 HD2 -0.22 0.02 -0.06 -0.04 1.69 1.40 2b8hB1 LYS 378 HD3 -0.24 -0.07 -0.08 -0.04 1.68 1.25 2b8hB1 LYS 378 HE2 -0.11 0.05 0.06 -0.04 2.99 2.96 2b8hB1 LYS 378 HE3 0.00 0.00 0.03 -0.04 2.99 2.98 2b8hB1 VAL 379 H -0.27 0.56 0.07 -0.55 8.24 8.05 2b8hB1 VAL 379 HA -0.14 0.27 0.73 -0.75 4.13 4.23 2b8hB1 VAL 379 HB -0.07 -0.11 0.01 -0.04 2.12 1.91 2b8hB1 VAL 379 HG13 -0.06 0.02 -0.36 -0.04 0.97 0.53 2b8hB1 VAL 379 HG23 -0.10 0.04 -0.43 -0.04 0.95 0.41 2b8hB1 PRO 380 HA -0.04 0.00 0.58 -0.51 4.44 4.47 2b8hB1 PRO 380 HB2 -0.03 0.01 0.07 -0.04 2.28 2.28 2b8hB1 PRO 380 HB3 -0.03 -0.04 0.15 -0.04 2.02 2.05 2b8hB1 PRO 380 HG2 -0.06 0.05 0.09 -0.04 2.03 2.06 2b8hB1 PRO 380 HG3 -0.09 0.11 0.09 -0.04 2.03 2.10 2b8hB1 PRO 380 HD2 -0.10 0.26 0.19 -0.04 3.68 3.99 2b8hB1 PRO 380 HD3 -0.18 0.13 -0.23 -0.04 3.65 3.33 2b8hB1 ASN 381 H 0.01 0.65 0.27 -0.55 8.53 8.91 2b8hB1 ASN 381 HA 0.02 -0.11 0.37 -0.75 4.76 4.29 2b8hB1 ASN 381 HB2 -0.00 0.26 -0.23 -0.04 2.88 2.87 2b8hB1 ASN 381 HB3 0.01 -0.08 0.15 -0.04 2.79 2.82 2b8hB1 ASN 381 HD21 0.01 -0.02 -0.12 -0.04 7.03 6.86 2b8hB1 ASN 381 HD22 -0.00 0.12 -0.26 -0.04 7.74 7.56 2b8hB1 ALA 382 H -0.00 0.47 -0.19 -0.55 8.40 8.14 2b8hB1 ALA 382 HA -0.01 0.14 0.29 -0.75 4.34 4.01 2b8hB1 ALA 382 HB3 -0.01 0.03 0.00 -0.04 1.41 1.40 2b8hB1 LEU 383 H 0.03 -0.02 -0.35 -0.55 8.37 7.49 2b8hB1 LEU 383 HA 0.03 0.08 0.39 -0.75 4.35 4.09 2b8hB1 LEU 383 HB2 0.05 -0.05 0.02 -0.04 1.64 1.62 2b8hB1 LEU 383 HB3 0.04 -0.07 0.00 -0.04 1.64 1.57 2b8hB1 LEU 383 HG 0.03 0.06 -0.20 -0.04 1.64 1.49 2b8hB1 LEU 383 HD13 0.03 0.02 -0.09 -0.04 0.93 0.85 2b8hB1 LEU 383 HD23 0.04 -0.01 -0.10 -0.04 0.89 0.78 2b8hB1 THR 384 H 0.02 0.26 -0.18 -0.55 8.28 7.84 2b8hB1 THR 384 HA 0.03 0.24 0.75 -0.75 4.39 4.65 2b8hB1 THR 384 HB 0.02 0.01 0.09 -0.04 4.32 4.40 2b8hB1 THR 384 HG23 0.03 -0.02 -0.14 -0.04 1.22 1.05 2b8hB1 ASP 385 H 0.01 0.37 -0.06 -0.55 8.40 8.18 2b8hB1 ASP 385 HA 0.01 0.14 0.87 -0.75 4.63 4.89 2b8hB1 ASP 385 HB2 0.00 -0.04 -0.03 -0.04 2.71 2.60 2b8hB1 ASP 385 HB3 -0.00 0.14 0.07 -0.04 2.70 2.87 2b8hB1 ASP 386 H 0.01 0.19 0.08 -0.55 8.40 8.13 2b8hB1 ASP 386 HA 0.01 0.39 -0.13 -0.75 4.63 4.14 2b8hB1 ASP 386 HB2 0.02 0.09 0.03 -0.04 2.71 2.80 2b8hB1 ASP 386 HB3 0.02 -0.05 -0.08 -0.04 2.70 2.55 2b8hB1 ARG 387 H -0.00 -0.05 -0.46 -0.55 8.46 7.39 2b8hB1 ARG 387 HA -0.01 0.47 0.99 -0.75 4.34 5.03 2b8hB1 ARG 387 HB2 -0.01 -0.10 0.01 -0.04 1.90 1.76 2b8hB1 ARG 387 HB3 -0.01 0.01 0.13 -0.04 1.80 1.89 2b8hB1 ARG 387 HG2 -0.00 0.17 0.02 -0.04 1.67 1.81 2b8hB1 ARG 387 HG3 0.00 -0.11 -0.29 -0.04 1.67 1.23 2b8hB1 ARG 387 HD2 -0.00 -0.06 -0.04 -0.04 3.22 3.08 2b8hB1 ARG 387 HD3 -0.00 -0.00 -0.01 -0.04 3.22 3.16 2b8hB1 SER 388 H -0.02 0.35 -0.11 -0.55 8.46 8.14 2b8hB1 SER 388 HA -0.03 -0.05 0.23 -0.75 4.49 3.89 2b8hB1 SER 388 HB2 -0.03 0.06 -0.11 -0.04 3.95 3.83 2b8hB1 SER 388 HB3 -0.02 -0.07 0.00 -0.04 3.93 3.80 2b8hB1 LYS 389 H -0.04 0.11 0.20 -0.55 8.42 8.13 2b8hB1 LYS 389 HA -0.05 0.18 0.79 -0.75 4.32 4.48 2b8hB1 LYS 389 HB2 -0.04 -0.08 0.07 -0.04 1.87 1.78 2b8hB1 LYS 389 HB3 -0.04 0.04 0.10 -0.04 1.79 1.84 2b8hB1 LYS 389 HG2 -0.03 0.12 -0.06 -0.04 1.46 1.45 2b8hB1 LYS 389 HG3 -0.03 -0.08 -0.00 -0.04 1.46 1.31 2b8hB1 LYS 389 HD2 -0.05 0.06 0.01 -0.04 1.69 1.67 2b8hB1 LYS 389 HD3 -0.04 0.10 -0.20 -0.04 1.68 1.50 2b8hB1 LYS 389 HE2 -0.04 -0.10 -0.02 -0.04 2.99 2.79 2b8hB1 LYS 389 HE3 -0.05 -0.03 -0.11 -0.04 2.99 2.76 2b8hB1 PRO 390 HA -0.13 0.31 0.51 -0.51 4.44 4.63 2b8hB1 PRO 390 HB2 -0.05 -0.04 0.01 -0.04 2.28 2.16 2b8hB1 PRO 390 HB3 -0.08 0.05 0.09 -0.04 2.02 2.04 2b8hB1 PRO 390 HG2 -0.05 0.02 0.04 -0.04 2.03 2.00 2b8hB1 PRO 390 HG3 -0.07 0.04 0.01 -0.04 2.03 1.97 2b8hB1 PRO 390 HD2 -0.05 0.08 0.16 -0.04 3.68 3.84 2b8hB1 PRO 390 HD3 -0.06 0.15 0.18 -0.04 3.65 3.88 2b8hB1 THR 391 H -0.18 0.57 0.41 -0.55 8.28 8.53 2b8hB1 THR 391 HA -0.06 0.22 1.04 -0.75 4.39 4.85 2b8hB1 THR 391 HB -0.05 -0.06 0.20 -0.04 4.32 4.37 2b8hB1 THR 391 HG23 -0.06 0.02 0.01 -0.04 1.22 1.15 2b8hB1 GLN 392 H -0.16 0.34 0.27 -0.55 8.47 8.37 2b8hB1 GLN 392 HA 0.03 0.08 0.48 -0.75 4.36 4.20 2b8hB1 GLN 392 HB2 -0.04 0.07 -0.28 -0.04 2.15 1.86 2b8hB1 GLN 392 HB3 -0.25 -0.06 -0.05 -0.04 2.02 1.62 2b8hB1 GLN 392 HG2 0.26 -0.04 0.16 -0.04 2.40 2.75 2b8hB1 GLN 392 HG3 0.17 0.03 0.16 -0.04 2.39 2.71 2b8hB1 GLN 392 HE21 0.39 0.59 0.12 -0.04 6.97 8.03 2b8hB1 GLN 392 HE22 0.45 -0.04 0.05 -0.04 7.69 8.11 2b8hB1 GLY 393 H 0.18 0.32 0.23 -0.55 8.43 8.62 2b8hB1 GLY 393 HA2 0.29 0.17 0.65 -0.51 4.01 4.61 2b8hB1 GLY 393 HA3 0.14 0.03 0.38 -0.51 4.01 4.05 2b8hB1 GLN 394 H 0.33 0.71 0.26 -0.55 8.47 9.22 2b8hB1 GLN 394 HA 0.26 0.05 0.57 -0.75 4.36 4.49 2b8hB1 GLN 394 HB2 0.44 0.10 -0.08 -0.04 2.15 2.57 2b8hB1 GLN 394 HB3 0.46 -0.08 0.01 -0.04 2.02 2.37 2b8hB1 GLN 394 HG2 0.32 0.15 -0.14 -0.04 2.40 2.69 2b8hB1 GLN 394 HG3 0.29 -0.01 0.12 -0.04 2.39 2.75 2b8hB1 GLN 394 HE21 0.36 0.52 0.12 -0.04 6.97 7.93 2b8hB1 GLN 394 HE22 0.38 0.03 0.02 -0.04 7.69 8.08 2b8hB1 THR 395 H 0.18 0.12 0.10 -0.55 8.28 8.13 2b8hB1 THR 395 HA 0.14 0.11 1.04 -0.75 4.39 4.93 2b8hB1 THR 395 HB 0.14 0.04 -0.00 -0.04 4.32 4.46 2b8hB1 THR 395 HG23 0.09 -0.01 -0.18 -0.04 1.22 1.07 2b8hB1 ILE 396 H 0.21 0.51 0.36 -0.55 8.25 8.78 2b8hB1 ILE 396 HA 0.40 0.19 0.76 -0.75 4.18 4.78 2b8hB1 ILE 396 HB 0.41 0.01 -0.10 -0.04 1.89 2.17 2b8hB1 ILE 396 HG12 0.26 -0.01 -0.25 -0.04 1.49 1.46 2b8hB1 ILE 396 HG13 0.45 0.01 -0.27 -0.04 1.21 1.37 2b8hB1 ILE 396 HG23 0.30 -0.00 -0.19 -0.04 0.93 0.99 2b8hB1 ILE 396 HD13 0.26 0.03 -0.32 -0.04 0.88 0.81 2b8hB1 VAL 397 H 0.22 0.54 0.34 -0.55 8.24 8.78 2b8hB1 VAL 397 HA 0.12 -0.03 0.75 -0.75 4.13 4.21 2b8hB1 VAL 397 HB 0.21 -0.07 -0.08 -0.04 2.12 2.14 2b8hB1 VAL 397 HG13 0.09 0.07 -0.21 -0.04 0.97 0.88 2b8hB1 VAL 397 HG23 0.21 0.06 -0.24 -0.04 0.95 0.94 2b8hB1 LEU 398 H -0.00 0.10 0.07 -0.55 8.37 7.99 2b8hB1 LEU 398 HA 0.01 0.14 0.47 -0.75 4.35 4.22 2b8hB1 LEU 398 HB2 -0.06 -0.02 0.01 -0.04 1.64 1.52 2b8hB1 LEU 398 HB3 -0.04 -0.05 0.06 -0.04 1.64 1.57 2b8hB1 LEU 398 HG -0.05 -0.01 0.00 -0.04 1.64 1.53 2b8hB1 LEU 398 HD13 -0.05 0.02 -0.02 -0.04 0.93 0.84 2b8hB1 LEU 398 HD23 0.01 0.03 -0.05 -0.04 0.89 0.83 2b8hB1 ASN 399 H -0.03 0.19 0.19 -0.55 8.53 8.34 2b8hB1 ASN 399 HA -0.04 0.12 0.20 -0.75 4.76 4.28 2b8hB1 ASN 399 HB2 -0.02 0.03 0.11 -0.04 2.88 2.95 2b8hB1 ASN 399 HB3 -0.05 0.01 -0.02 -0.04 2.79 2.69 2b8hB1 ASN 399 HD21 -0.02 -0.02 -0.03 -0.04 7.03 6.92 2b8hB1 ASN 399 HD22 -0.03 0.01 -0.05 -0.04 7.74 7.63 2b8hB1 THR 400 H -0.10 -0.03 -0.40 -0.55 8.28 7.20 2b8hB1 THR 400 HA -0.25 0.18 0.65 -0.75 4.39 4.21 2b8hB1 THR 400 HB -0.16 0.03 0.09 -0.04 4.32 4.24 2b8hB1 THR 400 HG23 -0.09 0.00 -0.02 -0.04 1.22 1.07 2b8hB1 ASP 401 H -0.17 0.53 -0.31 -0.55 8.40 7.89 2b8hB1 ASP 401 HA -0.42 0.15 0.91 -0.75 4.63 4.52 2b8hB1 ASP 401 HB2 -0.06 0.02 0.03 -0.04 2.71 2.66 2b8hB1 ASP 401 HB3 -0.03 0.03 0.02 -0.04 2.70 2.67 2b8hB1 TRP 402 H -0.21 0.06 0.17 -0.55 7.97 7.44 2b8hB1 TRP 402 HA 0.04 0.15 0.63 -0.75 4.62 4.69 2b8hB1 TRP 402 HB2 0.03 -0.02 0.21 -0.04 3.23 3.40 2b8hB1 TRP 402 HB3 0.03 0.20 0.24 -0.04 3.23 3.65 2b8hB1 TRP 402 HD1 -0.00 -0.08 0.12 -0.04 7.22 7.22 2b8hB1 TRP 402 HE1 -0.04 -0.06 0.01 -0.04 10.20 10.08 2b8hB1 TRP 402 HE3 0.02 0.28 -0.08 -0.04 7.59 7.77 2b8hB1 TRP 402 HZ2 -0.04 0.01 -0.02 -0.04 7.44 7.35 2b8hB1 TRP 402 HZ3 0.00 -0.07 -0.13 -0.04 7.13 6.89 2b8hB1 TRP 402 HH2 -0.02 -0.01 -0.03 -0.04 7.19 7.09 2b8hB1 SER 403 H 0.32 0.52 0.15 -0.55 8.46 8.90 2b8hB1 SER 403 HA 0.19 0.10 0.72 -0.75 4.49 4.74 2b8hB1 SER 403 HB2 0.22 0.04 0.11 -0.04 3.95 4.28 2b8hB1 SER 403 HB3 0.22 -0.11 -0.19 -0.04 3.93 3.81 2b8hB1 GLY 404 H 0.21 0.28 0.23 -0.55 8.43 8.61 2b8hB1 GLY 404 HA2 0.18 0.01 0.58 -0.51 4.01 4.27 2b8hB1 GLY 404 HA3 0.15 0.04 0.23 -0.51 4.01 3.92 2b8hB1 TYR 405 H 0.27 0.02 0.21 -0.55 8.29 8.25 2b8hB1 TYR 405 HA 0.10 0.30 0.72 -0.75 4.56 4.92 2b8hB1 TYR 405 HB2 0.17 -0.14 0.19 -0.04 3.06 3.24 2b8hB1 TYR 405 HB3 0.19 0.14 0.04 -0.04 2.98 3.31 2b8hB1 TYR 405 HD2 0.12 0.04 0.10 -0.04 7.15 7.38 2b8hB1 TYR 405 HE2 0.08 0.07 0.11 -0.04 6.85 7.06 2b8hB1 SER 406 H 0.06 0.50 0.14 -0.55 8.46 8.62 2b8hB1 SER 406 HA -0.47 0.13 0.64 -0.75 4.49 4.03 2b8hB1 SER 406 HB2 -0.12 0.01 0.18 -0.04 3.95 3.98 2b8hB1 SER 406 HB3 -0.30 -0.00 0.03 -0.04 3.93 3.61 2b8hB1 GLY 407 H -0.99 0.43 0.34 -0.55 8.43 7.66 2b8hB1 GLY 407 HA2 -0.07 0.14 0.59 -0.51 4.01 4.17 2b8hB1 GLY 407 HA3 -0.12 0.10 0.28 -0.51 4.01 3.76 2b8hB1 SER 408 H -0.01 0.16 0.26 -0.55 8.46 8.32 2b8hB1 SER 408 HA -0.20 0.24 1.02 -0.75 4.49 4.79 2b8hB1 SER 408 HB2 0.01 0.00 0.04 -0.04 3.95 3.96 2b8hB1 SER 408 HB3 -0.22 -0.03 0.04 -0.04 3.93 3.68 2b8hB1 PHE 409 H -0.07 0.53 0.31 -0.55 8.34 8.56 2b8hB1 PHE 409 HA 0.13 0.13 0.47 -0.75 4.62 4.60 2b8hB1 PHE 409 HB2 0.10 -0.05 0.18 -0.04 3.15 3.34 2b8hB1 PHE 409 HB3 0.13 0.17 0.13 -0.04 3.06 3.46 2b8hB1 PHE 409 HD2 0.08 -0.00 -0.36 -0.04 7.28 6.95 2b8hB1 PHE 409 HE2 -0.16 0.00 -0.33 -0.04 7.38 6.85 2b8hB1 PHE 409 HZ -0.29 -0.01 -0.20 -0.04 7.32 6.78 2b8hB1 MET 410 H 0.09 0.27 0.27 -0.55 8.47 8.55 2b8hB1 MET 410 HA -0.39 0.18 0.50 -0.75 4.52 4.06 2b8hB1 MET 410 HB2 -1.19 -0.05 -0.02 -0.04 2.15 0.86 2b8hB1 MET 410 HB3 -0.51 0.02 0.00 -0.04 2.03 1.50 2b8hB1 MET 410 HG2 -0.23 0.10 0.20 -0.04 2.63 2.65 2b8hB1 MET 410 HG3 -0.02 -0.07 -0.30 -0.04 2.56 2.13 2b8hB1 MET 410 HE3 0.11 -0.04 -0.01 -0.04 2.10 2.11 2b8hB1 ASP 411 H -0.18 0.24 0.09 -0.55 8.40 8.00 2b8hB1 ASP 411 HA 0.17 0.11 0.81 -0.75 4.63 4.97 2b8hB1 ASP 411 HB2 0.12 0.04 0.08 -0.04 2.71 2.91 2b8hB1 ASP 411 HB3 0.03 0.02 0.23 -0.04 2.70 2.94 2b8hB1 TYR 412 H -0.14 0.30 0.02 -0.55 8.29 7.92 2b8hB1 TYR 412 HA -0.50 0.11 0.50 -0.75 4.56 3.92 2b8hB1 TYR 412 HB2 -1.90 0.02 0.03 -0.04 3.06 1.16 2b8hB1 TYR 412 HB3 -0.97 0.03 0.11 -0.04 2.98 2.11 2b8hB1 TYR 412 HD2 -0.78 0.02 0.07 -0.04 7.15 6.42 2b8hB1 TYR 412 HE2 -0.19 0.14 0.14 -0.04 6.85 6.89 2b8hB1 TRP 413 H 0.30 -0.05 -0.50 -0.55 7.97 7.17 2b8hB1 TRP 413 HA 0.13 0.25 0.80 -0.75 4.62 5.04 2b8hB1 TRP 413 HB2 0.05 -0.01 -0.01 -0.04 3.23 3.22 2b8hB1 TRP 413 HB3 0.05 0.10 0.19 -0.04 3.23 3.53 2b8hB1 TRP 413 HD1 0.07 0.06 0.03 -0.04 7.22 7.34 2b8hB1 TRP 413 HE1 0.12 0.00 -0.02 -0.04 10.20 10.25 2b8hB1 TRP 413 HE3 0.10 -0.02 -0.18 -0.04 7.59 7.45 2b8hB1 TRP 413 HZ2 0.17 -0.08 -0.28 -0.04 7.44 7.21 2b8hB1 TRP 413 HZ3 0.22 0.08 0.01 -0.04 7.13 7.40 2b8hB1 TRP 413 HH2 0.17 0.18 0.03 -0.04 7.19 7.53 2b8hB1 ALA 414 H 0.12 0.23 -0.21 -0.55 8.40 8.00 2b8hB1 ALA 414 HA 0.12 0.05 0.59 -0.75 4.34 4.35 2b8hB1 ALA 414 HB3 0.07 -0.02 0.15 -0.04 1.41 1.57 2b8hB1 GLU 415 H 0.06 0.01 0.15 -0.55 8.60 8.28 2b8hB1 GLU 415 HA 0.05 0.16 0.61 -0.75 4.29 4.35 2b8hB1 GLU 415 HB2 0.03 -0.04 0.12 -0.04 2.09 2.16 2b8hB1 GLU 415 HB3 0.02 -0.06 0.16 -0.04 1.99 2.06 2b8hB1 GLU 415 HG2 0.05 0.00 0.06 -0.04 2.34 2.41 2b8hB1 GLU 415 HG3 0.03 -0.02 0.05 -0.04 2.34 2.37 2b8hB1 GLY 416 H 0.01 0.08 0.13 -0.55 8.43 8.10 2b8hB1 GLY 416 HA2 -0.01 -0.03 0.34 -0.51 4.01 3.79 2b8hB1 GLY 416 HA3 -0.02 0.16 0.71 -0.51 4.01 4.35 2b8hB1 GLU 417 H -0.05 0.07 0.17 -0.55 8.60 8.25 2b8hB1 GLU 417 HA -0.07 0.24 0.75 -0.75 4.29 4.45 2b8hB1 GLU 417 HB2 -0.05 -0.02 0.07 -0.04 2.09 2.05 2b8hB1 GLU 417 HB3 -0.05 0.02 0.13 -0.04 1.99 2.04 2b8hB1 GLU 417 HG2 -0.03 0.07 -0.08 -0.04 2.34 2.26 2b8hB1 GLU 417 HG3 -0.03 -0.09 -0.07 -0.04 2.34 2.11 2b8hB1 CYS 418 H -0.09 0.15 0.01 -0.55 8.50 8.02 2b8hB1 CYS 418 HA -0.25 0.14 0.68 -0.75 4.58 4.40 2b8hB1 CYS 418 HB2 -0.09 0.10 -0.36 -0.04 2.97 2.58 2b8hB1 CYS 418 HB3 -0.09 0.01 -0.26 -0.04 2.97 2.59 2b8hB1 TYR 419 H -0.15 0.64 0.20 -0.55 8.29 8.42 2b8hB1 TYR 419 HA -0.11 0.19 0.82 -0.75 4.56 4.70 2b8hB1 TYR 419 HB2 -0.04 -0.01 -0.01 -0.04 3.06 2.97 2b8hB1 TYR 419 HB3 -0.18 -0.01 -0.10 -0.04 2.98 2.66 2b8hB1 TYR 419 HD2 -0.00 0.10 -0.02 -0.04 7.15 7.19 2b8hB1 TYR 419 HE2 0.02 0.02 0.01 -0.04 6.85 6.86 2b8hB1 ARG 420 H -0.04 0.22 0.15 -0.55 8.46 8.24 2b8hB1 ARG 420 HA -0.17 0.03 0.69 -0.75 4.34 4.15 2b8hB1 ARG 420 HB2 -0.08 0.02 0.06 -0.04 1.90 1.85 2b8hB1 ARG 420 HB3 -0.12 -0.04 0.21 -0.04 1.80 1.81 2b8hB1 ARG 420 HG2 -0.22 0.00 -0.11 -0.04 1.67 1.30 2b8hB1 ARG 420 HG3 -0.17 0.09 0.05 -0.04 1.67 1.60 2b8hB1 ARG 420 HD2 -0.03 -0.07 0.01 -0.04 3.22 3.10 2b8hB1 ARG 420 HD3 0.08 0.07 -0.02 -0.04 3.22 3.31 2b8hB1 ALA 421 H -0.33 0.16 0.21 -0.55 8.40 7.89 2b8hB1 ALA 421 HA -0.46 0.06 0.56 -0.75 4.34 3.75 2b8hB1 ALA 421 HB3 -0.99 0.02 0.08 -0.04 1.41 0.47 2b8hB1 CYS 422 H -0.32 0.33 0.45 -0.55 8.50 8.42 2b8hB1 CYS 422 HA -0.23 0.20 1.02 -0.75 4.58 4.82 2b8hB1 CYS 422 HB2 -1.92 0.09 0.06 -0.04 2.97 1.16 2b8hB1 CYS 422 HB3 -1.14 0.04 0.15 -0.04 2.97 1.98 2b8hB1 PHE 423 H -0.53 0.61 0.43 -0.55 8.34 8.30 2b8hB1 PHE 423 HA -0.26 0.15 0.72 -0.75 4.62 4.48 2b8hB1 PHE 423 HB2 -1.23 0.15 0.14 -0.04 3.15 2.17 2b8hB1 PHE 423 HB3 -0.93 0.01 -0.19 -0.04 3.06 1.91 2b8hB1 PHE 423 HD2 -0.58 0.08 -0.37 -0.04 7.28 6.37 2b8hB1 PHE 423 HE2 -0.98 -0.01 -0.28 -0.04 7.38 6.07 2b8hB1 PHE 423 HZ -0.29 -0.01 -0.24 -0.04 7.32 6.73 2b8hB1 TYR 424 H -0.25 0.58 0.38 -0.55 8.29 8.45 2b8hB1 TYR 424 HA -0.11 0.20 1.09 -0.75 4.56 4.98 2b8hB1 TYR 424 HB2 -0.09 0.04 -0.04 -0.04 3.06 2.93 2b8hB1 TYR 424 HB3 0.03 -0.09 -0.15 -0.04 2.98 2.73 2b8hB1 TYR 424 HD2 0.09 -0.04 -0.33 -0.04 7.15 6.83 2b8hB1 TYR 424 HE2 0.12 -0.01 -0.17 -0.04 6.85 6.75 2b8hB1 VAL 425 H 0.04 0.77 0.37 -0.55 8.24 8.86 2b8hB1 VAL 425 HA -0.12 0.29 0.83 -0.75 4.13 4.37 2b8hB1 VAL 425 HB -0.00 -0.10 0.02 -0.04 2.12 2.00 2b8hB1 VAL 425 HG13 -0.11 0.05 -0.11 -0.04 0.97 0.76 2b8hB1 VAL 425 HG23 -0.29 -0.01 -0.19 -0.04 0.95 0.41 2b8hB1 GLU 426 H 0.17 0.86 0.14 -0.55 8.60 9.22 2b8hB1 GLU 426 HA 0.11 0.12 0.78 -0.75 4.29 4.55 2b8hB1 GLU 426 HB2 0.23 0.05 0.07 -0.04 2.09 2.40 2b8hB1 GLU 426 HB3 0.19 -0.02 0.20 -0.04 1.99 2.31 2b8hB1 GLU 426 HG2 0.06 0.02 -0.32 -0.04 2.34 2.06 2b8hB1 GLU 426 HG3 0.05 0.00 -0.03 -0.04 2.34 2.32 2b8hB1 LEU 427 H 0.09 0.60 0.20 -0.55 8.37 8.70 2b8hB1 LEU 427 HA 0.15 0.25 0.69 -0.75 4.35 4.69 2b8hB1 LEU 427 HB2 0.11 -0.29 0.16 -0.04 1.64 1.59 2b8hB1 LEU 427 HB3 0.15 0.04 0.08 -0.04 1.64 1.87 2b8hB1 LEU 427 HG 0.09 0.03 -0.23 -0.04 1.64 1.49 2b8hB1 LEU 427 HD13 0.12 -0.06 -0.25 -0.04 0.93 0.70 2b8hB1 LEU 427 HD23 0.13 0.05 -0.19 -0.04 0.89 0.84 2b8hB1 ILE 428 H 0.14 0.68 0.03 -0.55 8.25 8.56 2b8hB1 ILE 428 HA 0.06 0.12 0.64 -0.75 4.18 4.25 2b8hB1 ILE 428 HB 0.01 0.05 0.21 -0.04 1.89 2.12 2b8hB1 ILE 428 HG12 -0.03 0.01 0.05 -0.04 1.49 1.48 2b8hB1 ILE 428 HG13 0.04 -0.10 -0.04 -0.04 1.21 1.07 2b8hB1 ILE 428 HG23 -0.07 0.02 -0.08 -0.04 0.93 0.75 2b8hB1 ILE 428 HD13 -0.02 0.00 0.17 -0.04 0.88 0.99 2b8hB1 ARG 429 H 0.10 0.63 0.33 -0.55 8.46 8.97 2b8hB1 ARG 429 HA -0.01 0.15 0.94 -0.75 4.34 4.66 2b8hB1 ARG 429 HB2 0.30 -0.04 -0.08 -0.04 1.90 2.04 2b8hB1 ARG 429 HB3 0.18 -0.05 -0.02 -0.04 1.80 1.87 2b8hB1 ARG 429 HG2 0.15 0.09 -0.23 -0.04 1.67 1.65 2b8hB1 ARG 429 HG3 0.18 -0.13 -0.13 -0.04 1.67 1.55 2b8hB1 ARG 429 HD2 0.24 0.39 -0.22 -0.04 3.22 3.59 2b8hB1 ARG 429 HD3 0.22 -0.14 -0.09 -0.04 3.22 3.16 2b8hB1 GLY 430 H -0.29 0.03 0.16 -0.55 8.43 7.78 2b8hB1 GLY 430 HA2 -0.76 0.05 0.38 -0.51 4.01 3.18 2b8hB1 GLY 430 HA3 -0.65 0.22 0.76 -0.51 4.01 3.83 2b8hB1 ARG 431 H -0.35 0.66 0.24 -0.55 8.46 8.46 2b8hB1 ARG 431 HA -0.30 -0.10 0.10 -0.75 4.34 3.28 2b8hB1 ARG 431 HB2 -0.16 -0.01 -0.12 -0.04 1.90 1.56 2b8hB1 ARG 431 HB3 -0.18 -0.01 -0.03 -0.04 1.80 1.54 2b8hB1 ARG 431 HG2 -0.31 -0.07 -0.12 -0.04 1.67 1.13 2b8hB1 ARG 431 HG3 -0.35 0.13 -0.09 -0.04 1.67 1.32 2b8hB1 ARG 431 HD2 -0.06 -0.01 -0.11 -0.04 3.22 3.01 2b8hB1 ARG 431 HD3 -0.14 -0.06 -0.02 -0.04 3.22 2.96 2b8hB1 PRO 432 HA -0.21 0.04 0.28 -0.51 4.44 4.03 2b8hB1 PRO 432 HB2 -0.15 0.02 0.04 -0.04 2.28 2.16 2b8hB1 PRO 432 HB3 -0.13 0.03 0.09 -0.04 2.02 1.97 2b8hB1 PRO 432 HG2 -0.19 0.00 0.09 -0.04 2.03 1.89 2b8hB1 PRO 432 HG3 -0.11 0.07 0.09 -0.04 2.03 2.03 2b8hB1 PRO 432 HD2 -0.20 0.12 0.43 -0.04 3.68 3.99 2b8hB1 PRO 432 HD3 -0.14 0.14 0.10 -0.04 3.65 3.72 2b8hB1 LYS 433 H -0.43 0.30 -0.03 -0.55 8.42 7.71 2b8hB1 LYS 433 HA -0.34 0.04 0.15 -0.75 4.32 3.41 2b8hB1 LYS 433 HB2 -1.17 0.09 0.08 -0.04 1.87 0.82 2b8hB1 LYS 433 HB3 -1.27 -0.05 0.06 -0.04 1.79 0.49 2b8hB1 LYS 433 HG2 -0.53 -0.02 0.07 -0.04 1.46 0.94 2b8hB1 LYS 433 HG3 -1.19 0.06 0.03 -0.04 1.46 0.33 2b8hB1 LYS 433 HD2 -0.77 -0.02 -0.01 -0.04 1.69 0.85 2b8hB1 LYS 433 HD3 -0.37 -0.01 0.01 -0.04 1.68 1.27 2b8hB1 LYS 433 HE2 -0.18 0.01 -0.01 -0.04 2.99 2.77 2b8hB1 LYS 433 HE3 -0.18 0.01 0.03 -0.04 2.99 2.81 2b8hB1 GLU 434 H -0.40 0.51 -0.40 -0.55 8.60 7.77 2b8hB1 GLU 434 HA -0.19 0.14 0.84 -0.75 4.29 4.32 2b8hB1 GLU 434 HB2 -0.37 -0.04 0.22 -0.04 2.09 1.85 2b8hB1 GLU 434 HB3 -0.24 -0.08 0.11 -0.04 1.99 1.74 2b8hB1 GLU 434 HG2 0.02 0.05 -0.07 -0.04 2.34 2.31 2b8hB1 GLU 434 HG3 -0.37 0.02 -0.25 -0.04 2.34 1.70 2b8hB1 ASP 435 H -0.24 0.26 -0.07 -0.55 8.40 7.81 2b8hB1 ASP 435 HA -0.40 0.25 0.23 -0.75 4.63 3.95 2b8hB1 ASP 435 HB2 -0.35 0.01 0.12 -0.04 2.71 2.45 2b8hB1 ASP 435 HB3 -0.26 0.19 -0.02 -0.04 2.70 2.57 2b8hB1 LYS 436 H -0.27 -0.00 -0.34 -0.55 8.42 7.25 2b8hB1 LYS 436 HA -0.32 0.13 0.68 -0.75 4.32 4.06 2b8hB1 LYS 436 HB2 -0.17 -0.06 -0.04 -0.04 1.87 1.56 2b8hB1 LYS 436 HB3 -0.13 0.01 0.04 -0.04 1.79 1.66 2b8hB1 LYS 436 HG2 -0.13 0.04 0.01 -0.04 1.46 1.35 2b8hB1 LYS 436 HG3 -0.15 -0.05 -0.04 -0.04 1.46 1.17 2b8hB1 LYS 436 HD2 -0.08 -0.05 -0.04 -0.04 1.69 1.49 2b8hB1 LYS 436 HD3 -0.06 0.01 -0.02 -0.04 1.68 1.57 2b8hB1 LYS 436 HE2 -0.06 0.02 -0.01 -0.04 2.99 2.90 2b8hB1 LYS 436 HE3 -0.06 0.01 -0.01 -0.04 2.99 2.88 2b8hB1 VAL 437 H -0.47 0.17 -0.11 -0.55 8.24 7.28 2b8hB1 VAL 437 HA -0.31 0.25 0.87 -0.75 4.13 4.19 2b8hB1 VAL 437 HB -1.21 -0.10 0.09 -0.04 2.12 0.86 2b8hB1 VAL 437 HG13 -0.29 0.01 -0.10 -0.04 0.97 0.55 2b8hB1 VAL 437 HG23 -1.43 0.05 -0.01 -0.04 0.95 -0.47 2b8hB1 TRP 438 H 0.00 0.17 0.13 -0.55 7.97 7.72 2b8hB1 TRP 438 HA -0.13 0.20 0.51 -0.75 4.62 4.44 2b8hB1 TRP 438 HB2 0.04 0.04 0.10 -0.04 3.23 3.36 2b8hB1 TRP 438 HB3 0.01 -0.10 0.19 -0.04 3.23 3.29 2b8hB1 TRP 438 HD1 0.00 0.03 0.01 -0.04 7.22 7.22 2b8hB1 TRP 438 HE1 -0.01 -0.00 -0.01 -0.04 10.20 10.13 2b8hB1 TRP 438 HE3 -0.04 -0.06 0.07 -0.04 7.59 7.52 2b8hB1 TRP 438 HZ2 -0.02 -0.02 -0.01 -0.04 7.44 7.35 2b8hB1 TRP 438 HZ3 -0.03 -0.02 0.01 -0.04 7.13 7.05 2b8hB1 TRP 438 HH2 -0.02 -0.02 -0.00 -0.04 7.19 7.10 2b8hB1 TRP 439 H -0.48 0.01 -0.13 -0.55 7.97 6.83 2b8hB1 TRP 439 HA 0.03 0.18 0.85 -0.75 4.62 4.92 2b8hB1 TRP 439 HB2 -0.04 0.07 0.04 -0.04 3.23 3.26 2b8hB1 TRP 439 HB3 0.03 0.07 -0.15 -0.04 3.23 3.14 2b8hB1 TRP 439 HD1 0.06 0.01 -0.02 -0.04 7.22 7.23 2b8hB1 TRP 439 HE1 -0.05 0.08 -0.01 -0.04 10.20 10.18 2b8hB1 TRP 439 HE3 -0.14 0.06 -0.61 -0.04 7.59 6.86 2b8hB1 TRP 439 HZ2 -1.69 0.02 -0.10 -0.04 7.44 5.62 2b8hB1 TRP 439 HZ3 -0.19 -0.02 -0.37 -0.04 7.13 6.50 2b8hB1 TRP 439 HH2 -0.52 -0.09 -0.19 -0.04 7.19 6.35 2b8hB1 THR 440 H 0.26 0.30 0.12 -0.55 8.28 8.41 2b8hB1 THR 440 HA 0.13 0.15 0.76 -0.75 4.39 4.68 2b8hB1 THR 440 HB 0.03 0.15 -0.17 -0.04 4.32 4.29 2b8hB1 THR 440 HG23 -0.03 0.04 -0.02 -0.04 1.22 1.17 2b8hB1 SER 441 H 0.29 0.63 0.32 -0.55 8.46 9.15 2b8hB1 SER 441 HA 0.03 0.49 0.59 -0.75 4.49 4.85 2b8hB1 SER 441 HB2 -0.12 0.04 -0.10 -0.04 3.95 3.73 2b8hB1 SER 441 HB3 -0.13 -0.08 0.04 -0.04 3.93 3.72 2b8hB1 ASN 442 H -0.01 0.27 0.25 -0.55 8.53 8.49 2b8hB1 ASN 442 HA 0.07 0.19 0.64 -0.75 4.76 4.90 2b8hB1 ASN 442 HB2 0.05 0.01 -0.04 -0.04 2.88 2.86 2b8hB1 ASN 442 HB3 0.03 0.08 -0.20 -0.04 2.79 2.66 2b8hB1 ASN 442 HD21 0.04 -0.04 -0.31 -0.04 7.03 6.68 2b8hB1 ASN 442 HD22 0.04 0.38 -0.26 -0.04 7.74 7.85 2b8hB1 SER 443 H 0.07 0.50 0.30 -0.55 8.46 8.79 2b8hB1 SER 443 HA 0.05 0.21 0.55 -0.75 4.49 4.54 2b8hB1 SER 443 HB2 0.08 -0.25 0.30 -0.04 3.95 4.04 2b8hB1 SER 443 HB3 0.07 -0.14 0.09 -0.04 3.93 3.92 2b8hB1 ILE 444 H 0.04 0.04 0.25 -0.55 8.25 8.03 2b8hB1 ILE 444 HA -0.02 0.37 1.02 -0.75 4.18 4.79 2b8hB1 ILE 444 HB -0.42 -0.14 0.03 -0.04 1.89 1.32 2b8hB1 ILE 444 HG12 -0.16 0.13 -0.21 -0.04 1.49 1.21 2b8hB1 ILE 444 HG13 -0.05 -0.16 -0.37 -0.04 1.21 0.59 2b8hB1 ILE 444 HG23 -0.54 0.02 -0.24 -0.04 0.93 0.12 2b8hB1 ILE 444 HD13 -0.55 0.03 -0.10 -0.04 0.88 0.22 2b8hB1 VAL 445 H 0.01 0.69 0.34 -0.55 8.24 8.72 2b8hB1 VAL 445 HA -0.03 0.21 0.68 -0.75 4.13 4.24 2b8hB1 VAL 445 HB 0.05 0.01 0.10 -0.04 2.12 2.23 2b8hB1 VAL 445 HG13 0.06 0.02 -0.06 -0.04 0.97 0.95 2b8hB1 VAL 445 HG23 -0.32 0.01 0.05 -0.04 0.95 0.65 2b8hB1 SER 446 H -0.12 0.48 0.38 -0.55 8.46 8.65 2b8hB1 SER 446 HA -0.15 0.30 1.13 -0.75 4.49 5.02 2b8hB1 SER 446 HB2 0.22 -0.04 -0.23 -0.04 3.95 3.86 2b8hB1 SER 446 HB3 0.33 -0.22 0.05 -0.04 3.93 4.05 2b8hB1 MET 447 H -0.65 0.70 0.40 -0.55 8.47 8.37 2b8hB1 MET 447 HA -0.20 0.12 1.05 -0.75 4.52 4.74 2b8hB1 MET 447 HB2 -0.70 -0.03 -0.18 -0.04 2.15 1.20 2b8hB1 MET 447 HB3 -0.12 0.11 -0.14 -0.04 2.03 1.84 2b8hB1 MET 447 HG2 -0.63 -0.13 -0.39 -0.04 2.63 1.44 2b8hB1 MET 447 HG3 -0.34 0.02 -0.25 -0.04 2.56 1.95 2b8hB1 MET 447 HE3 0.27 0.00 -0.30 -0.04 2.10 2.03 2b8hB1 CYS 448 H -0.48 0.59 0.28 -0.55 8.50 8.34 2b8hB1 CYS 448 HA -0.18 0.27 1.07 -0.75 4.58 4.98 2b8hB1 CYS 448 HB2 -0.56 -0.01 0.00 -0.04 2.97 2.35 2b8hB1 CYS 448 HB3 -0.29 0.02 0.07 -0.04 2.97 2.73 2b8hB1 SER 449 H -0.32 0.43 0.22 -0.55 8.46 8.25 2b8hB1 SER 449 HA -0.91 0.17 0.71 -0.75 4.49 3.71 2b8hB1 SER 449 HB2 -0.97 0.03 0.09 -0.04 3.95 3.06 2b8hB1 SER 449 HB3 -1.54 -0.00 0.06 -0.04 3.93 2.41 2b8hB1 SER 450 H -0.50 0.70 0.30 -0.55 8.46 8.41 2b8hB1 SER 450 HA -0.09 0.10 0.78 -0.75 4.49 4.53 2b8hB1 SER 450 HB2 0.06 0.04 -0.09 -0.04 3.95 3.93 2b8hB1 SER 450 HB3 -0.14 0.09 -0.06 -0.04 3.93 3.78 2b8hB1 THR 451 H -0.13 0.13 0.13 -0.55 8.28 7.87 2b8hB1 THR 451 HA -0.21 0.22 0.66 -0.75 4.39 4.31 2b8hB1 THR 451 HB -0.08 0.01 0.12 -0.04 4.32 4.32 2b8hB1 THR 451 HG23 -0.10 0.01 0.06 -0.04 1.22 1.15 2b8hB1 GLU 452 H -0.12 -0.05 -0.18 -0.55 8.60 7.72 2b8hB1 GLU 452 HA -0.02 0.18 0.71 -0.75 4.29 4.40 2b8hB1 GLU 452 HB2 -0.02 -0.03 -0.14 -0.04 2.09 1.86 2b8hB1 GLU 452 HB3 0.04 0.02 -0.08 -0.04 1.99 1.94 2b8hB1 GLU 452 HG2 -0.03 -0.10 -0.03 -0.04 2.34 2.14 2b8hB1 GLU 452 HG3 -0.00 0.04 -0.05 -0.04 2.34 2.29 2b8hB1 PHE 453 H 0.26 0.14 0.01 -0.55 8.34 8.19 2b8hB1 PHE 453 HA 0.04 0.31 0.64 -0.75 4.62 4.86 2b8hB1 PHE 453 HB2 0.03 -0.07 0.18 -0.04 3.15 3.25 2b8hB1 PHE 453 HB3 0.06 0.05 0.10 -0.04 3.06 3.22 2b8hB1 PHE 453 HD2 0.06 -0.01 0.04 -0.04 7.28 7.33 2b8hB1 PHE 453 HE2 0.06 -0.00 0.01 -0.04 7.38 7.41 2b8hB1 PHE 453 HZ 0.04 -0.02 -0.01 -0.04 7.32 7.29 2b8hB1 LEU 454 H 0.05 0.20 -0.10 -0.55 8.37 7.97 2b8hB1 LEU 454 HA 0.10 0.03 0.26 -0.75 4.35 3.98 2b8hB1 LEU 454 HB2 0.11 0.07 -0.05 -0.04 1.64 1.74 2b8hB1 LEU 454 HB3 0.11 0.05 0.01 -0.04 1.64 1.77 2b8hB1 LEU 454 HG 0.02 -0.04 -0.26 -0.04 1.64 1.32 2b8hB1 LEU 454 HD13 0.09 -0.00 -0.16 -0.04 0.93 0.82 2b8hB1 LEU 454 HD23 0.04 -0.01 -0.14 -0.04 0.89 0.75 2b8hB1 GLY 455 H 0.08 0.04 0.15 -0.55 8.43 8.15 2b8hB1 GLY 455 HA2 0.10 0.07 0.53 -0.51 4.01 4.20 2b8hB1 GLY 455 HA3 0.06 -0.00 0.31 -0.51 4.01 3.87 2b8hB1 GLN 456 H 0.13 0.11 0.22 -0.55 8.47 8.39 2b8hB1 GLN 456 HA 0.27 0.20 0.91 -0.75 4.36 4.98 2b8hB1 GLN 456 HB2 0.26 0.19 0.18 -0.04 2.15 2.74 2b8hB1 GLN 456 HB3 0.22 0.02 0.10 -0.04 2.02 2.32 2b8hB1 GLN 456 HG2 0.14 -0.08 0.17 -0.04 2.40 2.60 2b8hB1 GLN 456 HG3 0.18 0.04 -0.14 -0.04 2.39 2.43 2b8hB1 GLN 456 HE21 0.11 -0.00 0.01 -0.04 6.97 7.05 2b8hB1 GLN 456 HE22 0.10 -0.01 0.02 -0.04 7.69 7.76 2b8hB1 TRP 457 H 0.42 0.17 0.20 -0.55 7.97 8.21 2b8hB1 TRP 457 HA -0.09 0.12 0.59 -0.75 4.62 4.49 2b8hB1 TRP 457 HB2 -0.09 -0.02 0.04 -0.04 3.23 3.12 2b8hB1 TRP 457 HB3 -0.64 0.05 0.04 -0.04 3.23 2.64 2b8hB1 TRP 457 HD1 -0.15 0.02 0.14 -0.04 7.22 7.19 2b8hB1 TRP 457 HE1 -0.14 -0.03 0.05 -0.04 10.20 10.04 2b8hB1 TRP 457 HE3 -0.66 -0.02 0.00 -0.04 7.59 6.87 2b8hB1 TRP 457 HZ2 -0.12 -0.03 0.03 -0.04 7.44 7.28 2b8hB1 TRP 457 HZ3 -0.08 -0.01 0.00 -0.04 7.13 7.00 2b8hB1 TRP 457 HH2 -0.07 -0.02 0.01 -0.04 7.19 7.07 2b8hB1 ASN 458 H -0.65 0.19 0.17 -0.55 8.53 7.69 2b8hB1 ASN 458 HA -0.03 0.40 0.59 -0.75 4.76 4.97 2b8hB1 ASN 458 HB2 -0.07 -0.20 -0.03 -0.04 2.88 2.54 2b8hB1 ASN 458 HB3 -0.04 0.03 -0.15 -0.04 2.79 2.59 2b8hB1 ASN 458 HD21 -0.26 0.02 -0.07 -0.04 7.03 6.68 2b8hB1 ASN 458 HD22 -0.21 -0.04 -0.23 -0.04 7.74 7.21 2b8hB1 TRP 459 H 0.11 0.41 0.24 -0.55 7.97 8.18 2b8hB1 TRP 459 HA -0.21 0.17 0.78 -0.75 4.62 4.60 2b8hB1 TRP 459 HB2 0.02 0.05 0.13 -0.04 3.23 3.39 2b8hB1 TRP 459 HB3 -0.01 -0.01 0.05 -0.04 3.23 3.21 2b8hB1 TRP 459 HD1 0.10 0.18 -0.07 -0.04 7.22 7.39 2b8hB1 TRP 459 HE1 0.23 -0.00 -0.12 -0.04 10.20 10.27 2b8hB1 TRP 459 HE3 -0.07 0.04 -0.01 -0.04 7.59 7.52 2b8hB1 TRP 459 HZ2 0.37 -0.03 -0.02 -0.04 7.44 7.72 2b8hB1 TRP 459 HZ3 0.08 0.00 -0.02 -0.04 7.13 7.15 2b8hB1 TRP 459 HH2 0.36 -0.00 -0.02 -0.04 7.19 7.48 2b8hB1 PRO 460 HA 0.06 0.11 0.54 -0.51 4.44 4.64 2b8hB1 PRO 460 HB2 -0.01 -0.04 -0.06 -0.04 2.28 2.13 2b8hB1 PRO 460 HB3 -0.04 0.01 0.09 -0.04 2.02 2.04 2b8hB1 PRO 460 HG2 -0.16 0.07 0.01 -0.04 2.03 1.91 2b8hB1 PRO 460 HG3 -0.16 -0.01 -0.02 -0.04 2.03 1.81 2b8hB1 PRO 460 HD2 -0.23 0.15 0.17 -0.04 3.68 3.74 2b8hB1 PRO 460 HD3 -0.37 0.23 -0.23 -0.04 3.65 3.24 2b8hB1 ASP 461 H 0.09 0.16 0.16 -0.55 8.40 8.27 2b8hB1 ASP 461 HA 0.11 0.05 0.50 -0.75 4.63 4.54 2b8hB1 ASP 461 HB2 0.14 0.15 0.10 -0.04 2.71 3.05 2b8hB1 ASP 461 HB3 0.13 -0.04 0.14 -0.04 2.70 2.89 2b8hB1 GLY 462 H 0.07 0.09 -0.03 -0.55 8.43 8.02 2b8hB1 GLY 462 HA2 0.04 0.03 0.20 -0.51 4.01 3.76 2b8hB1 GLY 462 HA3 0.07 0.20 0.31 -0.51 4.01 4.08 2b8hB1 ALA 463 H 0.13 -0.02 -0.22 -0.55 8.40 7.75 2b8hB1 ALA 463 HA 0.18 0.21 0.66 -0.75 4.34 4.64 2b8hB1 ALA 463 HB3 0.29 -0.01 -0.22 -0.04 1.41 1.44 2b8hB1 LYS 464 H 0.18 0.26 0.08 -0.55 8.42 8.39 2b8hB1 LYS 464 HA -0.02 0.18 0.83 -0.75 4.32 4.55 2b8hB1 LYS 464 HB2 -0.91 0.05 0.17 -0.04 1.87 1.13 2b8hB1 LYS 464 HB3 -0.50 -0.11 -0.03 -0.04 1.79 1.10 2b8hB1 LYS 464 HG2 -0.17 0.05 -0.06 -0.04 1.46 1.24 2b8hB1 LYS 464 HG3 -0.21 0.07 -0.05 -0.04 1.46 1.23 2b8hB1 LYS 464 HD2 -0.58 0.05 -0.01 -0.04 1.69 1.11 2b8hB1 LYS 464 HD3 -0.59 -0.05 -0.02 -0.04 1.68 0.98 2b8hB1 LYS 464 HE2 -0.07 0.03 -0.02 -0.04 2.99 2.89 2b8hB1 LYS 464 HE3 -0.12 -0.02 -0.01 -0.04 2.99 2.80 2b8hB1 ILE 465 H 0.06 0.24 0.09 -0.55 8.25 8.10 2b8hB1 ILE 465 HA 0.26 0.09 0.28 -0.75 4.18 4.06 2b8hB1 ILE 465 HB 0.02 -0.01 0.13 -0.04 1.89 1.99 2b8hB1 ILE 465 HG12 0.05 -0.01 0.02 -0.04 1.49 1.50 2b8hB1 ILE 465 HG13 -0.06 0.04 0.05 -0.04 1.21 1.19 2b8hB1 ILE 465 HG23 -0.08 0.02 -0.16 -0.04 0.93 0.66 2b8hB1 ILE 465 HD13 -0.28 -0.00 -0.01 -0.04 0.88 0.55 2b8hB1 GLU 466 H -0.02 0.07 -0.24 -0.55 8.60 7.85 2b8hB1 GLU 466 HA 0.06 0.07 0.20 -0.75 4.29 3.87 2b8hB1 GLU 466 HB2 0.03 0.06 0.03 -0.04 2.09 2.17 2b8hB1 GLU 466 HB3 -0.01 -0.01 0.05 -0.04 1.99 1.98 2b8hB1 GLU 466 HG2 -0.13 -0.02 -0.02 -0.04 2.34 2.13 2b8hB1 GLU 466 HG3 -0.27 -0.07 -0.10 -0.04 2.34 1.86 2b8hB1 TYR 467 H 0.04 0.26 -0.36 -0.55 8.29 7.68 2b8hB1 TYR 467 HA 0.01 0.07 0.55 -0.75 4.56 4.43 2b8hB1 TYR 467 HB2 -0.01 0.14 0.11 -0.04 3.06 3.27 2b8hB1 TYR 467 HB3 -0.17 0.04 0.05 -0.04 2.98 2.86 2b8hB1 TYR 467 HD2 0.01 0.01 0.01 -0.04 7.15 7.14 2b8hB1 TYR 467 HE2 0.02 0.00 0.00 -0.04 6.85 6.83 2b8hB1 PHE 468 H 0.45 0.40 -0.29 -0.55 8.34 8.35 2b8hB1 PHE 468 HA 0.19 0.15 0.58 -0.75 4.62 4.79 2b8hB1 PHE 468 HB2 0.26 0.07 0.06 -0.04 3.15 3.50 2b8hB1 PHE 468 HB3 0.44 -0.04 0.10 -0.04 3.06 3.52 2b8hB1 PHE 468 HD2 0.28 0.04 -0.06 -0.04 7.28 7.49 2b8hB1 PHE 468 HE2 0.03 -0.06 -0.21 -0.04 7.38 7.10 2b8hB1 PHE 468 HZ -0.01 0.23 -0.12 -0.04 7.32 7.38 2b8hB1 LEU 469 H 0.19 0.29 -0.49 -0.55 8.37 7.81 2b8hB1 LEU 469 HA 0.13 0.18 0.54 -0.75 4.35 4.45 2b8hB1 LEU 469 HB2 0.08 0.09 0.09 -0.04 1.64 1.86 2b8hB1 LEU 469 HB3 0.06 -0.01 0.05 -0.04 1.64 1.69 2b8hB1 LEU 469 HG 0.10 0.04 -0.06 -0.04 1.64 1.68 2b8hB1 LEU 469 HD13 0.01 -0.03 -0.04 -0.04 0.93 0.83 2b8hB1 LEU 469 HD23 -0.00 -0.00 -0.28 -0.04 0.89 0.56