============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 56 rings ring int. center anis. iso. TYR 3 0.840 17.305 -16.459 -12.746 -99.200 -91.000 TRP 6 1.040 22.733 -11.902 -21.861 -99.200 -91.000 TRP6 6 1.020 24.212 -10.056 -21.953 -99.200 -91.000 PHE 16 1.000 35.286 -3.618 -32.017 -99.200 -91.000 PHE 19 1.000 34.320 0.459 -21.342 -99.200 -91.000 TRP 34 1.040 47.982 -9.586 -6.213 -99.200 -91.000 TRP6 34 1.020 48.193 -11.851 -5.548 -99.200 -91.000 TYR 40 0.840 37.723 -14.197 -16.849 -99.200 -91.000 TYR 49 0.840 32.656 -6.169 -10.786 -99.200 -91.000 PHE 51 1.000 36.009 -11.497 -13.323 -99.200 -91.000 HIS 63 0.900 58.516 -16.130 -2.215 -99.200 -91.000 HIS 69 0.900 57.902 -23.269 -14.814 -99.200 -91.000 HIS 74 0.900 51.734 -22.092 -4.031 -99.200 -91.000 PHE 86 1.000 43.692 -7.859 -11.390 -99.200 -91.000 HIS 87 0.900 44.565 -2.609 -4.980 -99.200 -91.000 TRP 97 1.040 46.153 -25.467 -12.125 -99.200 -91.000 TRP6 97 1.020 44.852 -26.799 -13.595 -99.200 -91.000 HIS 103 0.900 25.293 -10.848 -12.017 -99.200 -91.000 TRP 108 1.040 29.736 -11.333 -10.132 -99.200 -91.000 TRP6 108 1.020 30.844 -11.289 -12.212 -99.200 -91.000 HIS 110 0.900 33.309 -15.957 -9.373 -99.200 -91.000 PHE 124 1.000 31.564 -26.350 -12.098 -99.200 -91.000 TYR 126 0.840 24.382 -18.623 -8.567 -99.200 -91.000 TRP 137 1.040 36.252 -35.027 -19.630 -99.200 -91.000 TRP6 137 1.020 35.111 -33.126 -18.809 -99.200 -91.000 PHE 175 1.000 23.868 -27.067 -21.914 -99.200 -91.000 HIS 183 0.900 21.948 -32.197 -20.919 -99.200 -91.000 HIS 193 0.900 42.762 -29.441 -29.841 -99.200 -91.000 TYR 200 0.840 29.304 -14.113 -30.169 -99.200 -91.000 TYR 203 0.840 16.733 -14.676 -26.741 -99.200 -91.000 TRP 214 1.040 45.865 -32.908 -34.038 -99.200 -91.000 TRP6 214 1.020 43.999 -34.330 -34.129 -99.200 -91.000 TYR 229 0.840 19.632 -28.925 -21.621 -99.200 -91.000 TYR 235 0.840 37.915 -25.950 -37.960 -99.200 -91.000 TRP 271 1.040 38.338 -10.703 -30.147 -99.200 -91.000 TRP6 271 1.020 36.995 -9.327 -31.539 -99.200 -91.000 PHE 273 1.000 31.022 -8.889 -33.215 -99.200 -91.000 TRP 280 1.040 32.173 -5.920 -37.355 -99.200 -91.000 TRP6 280 1.020 33.362 -3.954 -37.861 -99.200 -91.000 TYR 293 0.840 43.869 -8.299 -31.087 -99.200 -91.000 PHE 296 1.000 40.998 -8.271 -40.392 -99.200 -91.000 TRP 302 1.040 28.237 -16.292 -40.011 -99.200 -91.000 TRP6 302 1.020 29.589 -17.249 -38.311 -99.200 -91.000 TYR 325 0.840 45.970 -17.071 -23.816 -99.200 -91.000 PHE 329 1.000 33.957 -6.178 -22.139 -99.200 -91.000 PHE 341 1.000 38.816 -5.641 -29.171 -99.200 -91.000 TYR 342 0.840 39.929 -10.384 -22.546 -99.200 -91.000 TRP 356 1.040 66.453 -13.933 -13.704 -99.200 -91.000 TRP6 356 1.020 67.404 -15.993 -14.330 -99.200 -91.000 TRP 357 1.040 59.789 -9.748 -13.900 -99.200 -91.000 TRP6 357 1.020 58.440 -8.809 -15.580 -99.200 -91.000 PHE 365 1.000 40.817 0.259 -28.369 -99.200 -91.000 TYR 372 0.840 36.824 3.765 -36.088 -99.200 -91.000 TRP 377 1.040 45.524 3.969 -26.905 -99.200 -91.000 TRP6 377 1.020 44.353 3.842 -28.931 -99.200 -91.000 PHE 385 1.000 63.247 3.378 -17.306 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1iveB1 VAL 82 HA -0.05 -0.10 0.17 -0.75 4.13 3.40 1iveB1 VAL 82 HB -0.14 -0.03 0.00 -0.04 2.12 1.92 1iveB1 VAL 82 HG13 -0.05 0.06 0.20 -0.04 0.97 1.14 1iveB1 VAL 82 HG23 -0.05 -0.04 0.06 -0.04 0.95 0.89 1iveB1 GLU 83 H -0.06 0.08 0.14 -0.55 8.60 8.22 1iveB1 GLU 83 HA -0.09 0.16 0.40 -0.75 4.29 4.00 1iveB1 GLU 83 HB2 -0.01 0.07 0.04 -0.04 2.09 2.15 1iveB1 GLU 83 HB3 0.00 -0.03 0.19 -0.04 1.99 2.12 1iveB1 GLU 83 HG2 -0.02 -0.01 0.03 -0.04 2.34 2.31 1iveB1 GLU 83 HG3 -0.03 0.06 -0.09 -0.04 2.34 2.24 1iveB1 TYR 84 H 0.14 0.10 0.06 -0.55 8.29 8.04 1iveB1 TYR 84 HA -0.02 0.30 0.95 -0.75 4.56 5.04 1iveB1 TYR 84 HB2 0.01 -0.03 -0.12 -0.04 3.06 2.88 1iveB1 TYR 84 HB3 0.01 -0.02 -0.11 -0.04 2.98 2.82 1iveB1 TYR 84 HD2 0.01 0.02 -0.15 -0.04 7.15 6.99 1iveB1 TYR 84 HE2 0.03 -0.05 -0.05 -0.04 6.85 6.74 1iveB1 ARG 85 H 0.11 0.54 0.24 -0.55 8.46 8.80 1iveB1 ARG 85 HA -0.19 0.02 0.52 -0.75 4.34 3.93 1iveB1 ARG 85 HB2 -0.03 0.05 0.04 -0.04 1.90 1.93 1iveB1 ARG 85 HB3 -0.43 0.04 0.01 -0.04 1.80 1.38 1iveB1 ARG 85 HG2 -0.63 -0.02 0.06 -0.04 1.67 1.04 1iveB1 ARG 85 HG3 -0.19 -0.01 0.01 -0.04 1.67 1.44 1iveB1 ARG 85 HD2 -0.02 0.16 0.08 -0.04 3.22 3.40 1iveB1 ARG 85 HD3 -0.22 -0.02 0.08 -0.04 3.22 3.02 1iveB1 ASN 86 H -0.08 0.24 0.27 -0.55 8.53 8.41 1iveB1 ASN 86 HD21 0.02 0.00 0.01 -0.04 7.03 7.02 1iveB1 ASN 86 HA 0.19 0.09 1.06 -0.75 4.76 5.35 1iveB1 ASN 86 HB2 0.15 0.04 0.10 -0.04 2.88 3.14 1iveB1 ASN 86 HB3 0.07 0.07 -0.02 -0.04 2.79 2.87 1iveB1 ASN 86 HD22 0.02 0.00 0.01 -0.04 7.74 7.73 1iveB1 TRP 87 H -0.11 0.02 0.04 -0.55 7.97 7.37 1iveB1 TRP 87 HE1 0.03 -0.02 0.08 -0.04 10.20 10.25 1iveB1 TRP 87 HA -0.04 0.01 0.27 -0.75 4.62 4.11 1iveB1 TRP 87 HB2 0.12 0.12 -0.17 -0.04 3.23 3.26 1iveB1 TRP 87 HB3 0.04 0.05 0.22 -0.04 3.23 3.50 1iveB1 TRP 87 HD1 0.06 0.14 -0.14 -0.04 7.22 7.24 1iveB1 TRP 87 HE3 -0.00 0.01 -0.01 -0.04 7.59 7.55 1iveB1 TRP 87 HZ2 0.03 -0.01 0.11 -0.04 7.44 7.53 1iveB1 TRP 87 HZ3 -0.01 -0.11 -0.28 -0.04 7.13 6.69 1iveB1 TRP 87 HH2 0.04 0.30 0.07 -0.04 7.19 7.55 1iveB1 SER 88 H -0.18 0.02 -0.37 -0.55 8.46 7.39 1iveB1 SER 88 HA -0.64 0.18 0.68 -0.75 4.49 3.96 1iveB1 SER 88 HB2 -0.68 -0.01 0.11 -0.04 3.95 3.33 1iveB1 SER 88 HB3 -1.17 0.06 0.06 -0.04 3.93 2.84 1iveB1 LYS 89 H 0.01 0.53 -0.02 -0.55 8.42 8.38 1iveB1 LYS 89 HA -0.02 0.17 0.65 -0.75 4.32 4.36 1iveB1 LYS 89 HB2 0.05 -0.11 -0.23 -0.04 1.87 1.55 1iveB1 LYS 89 HB3 0.02 0.02 -0.22 -0.04 1.79 1.56 1iveB1 LYS 89 HG2 -0.01 0.14 -0.01 -0.04 1.46 1.53 1iveB1 LYS 89 HG3 -0.03 -0.04 -0.29 -0.04 1.46 1.06 1iveB1 LYS 89 HD2 0.01 -0.08 -0.38 -0.04 1.69 1.20 1iveB1 LYS 89 HD3 -0.00 -0.15 -0.76 -0.04 1.68 0.73 1iveB1 LYS 89 HE2 -0.03 0.07 -0.21 -0.04 2.99 2.79 1iveB1 LYS 89 HE3 -0.04 -0.09 -0.16 -0.04 2.99 2.66 1iveB1 PRO 90 HA 0.04 -0.02 0.45 -0.51 4.44 4.40 1iveB1 PRO 90 HB2 0.02 0.01 -0.01 -0.04 2.28 2.26 1iveB1 PRO 90 HB3 0.03 0.01 0.13 -0.04 2.02 2.15 1iveB1 PRO 90 HG2 0.01 0.04 0.10 -0.04 2.03 2.14 1iveB1 PRO 90 HG3 0.02 0.01 0.11 -0.04 2.03 2.13 1iveB1 PRO 90 HD2 0.01 0.34 0.30 -0.04 3.68 4.28 1iveB1 PRO 90 HD3 0.00 0.14 0.21 -0.04 3.65 3.97 1iveB1 GLN 91 H 0.03 0.05 0.20 -0.55 8.47 8.21 1iveB1 GLN 91 HE21 0.44 0.17 0.01 -0.04 6.97 7.54 1iveB1 GLN 91 HE22 0.21 -0.00 -0.08 -0.04 7.69 7.78 1iveB1 GLN 91 HA -0.02 0.30 0.82 -0.75 4.36 4.71 1iveB1 GLN 91 HB2 0.01 -0.02 0.16 -0.04 2.15 2.27 1iveB1 GLN 91 HB3 0.05 -0.09 0.04 -0.04 2.02 1.98 1iveB1 GLN 91 HG2 -0.02 0.16 0.02 -0.04 2.40 2.52 1iveB1 GLN 91 HG3 -0.13 0.03 0.09 -0.04 2.39 2.34 1iveB1 CYS 92 H -0.04 0.54 0.15 -0.55 8.50 8.60 1iveB1 CYS 92 HA -0.00 0.01 0.63 -0.75 4.58 4.46 1iveB1 CYS 92 HB2 -0.06 -0.03 -0.01 -0.04 2.97 2.83 1iveB1 CYS 92 HB3 -0.04 0.08 -0.02 -0.04 2.97 2.95 1iveB1 GLN 93 H 0.02 0.10 0.12 -0.55 8.47 8.16 1iveB1 GLN 93 HE21 0.05 -0.01 0.01 -0.04 6.97 6.98 1iveB1 GLN 93 HE22 0.04 -0.00 0.03 -0.04 7.69 7.72 1iveB1 GLN 93 HA 0.06 0.05 0.55 -0.75 4.36 4.27 1iveB1 GLN 93 HB2 0.03 -0.01 0.16 -0.04 2.15 2.30 1iveB1 GLN 93 HB3 0.04 0.02 0.00 -0.04 2.02 2.04 1iveB1 GLN 93 HG2 0.06 -0.00 0.03 -0.04 2.40 2.45 1iveB1 GLN 93 HG3 0.10 0.00 0.08 -0.04 2.39 2.54 1iveB1 ILE 94 H 0.05 0.16 0.16 -0.55 8.25 8.07 1iveB1 ILE 94 HA -0.11 0.19 0.78 -0.75 4.18 4.29 1iveB1 ILE 94 HB -0.47 0.12 0.01 -0.04 1.89 1.51 1iveB1 ILE 94 HG12 -0.50 0.04 -0.09 -0.04 1.49 0.90 1iveB1 ILE 94 HG13 -0.87 -0.05 -0.17 -0.04 1.21 0.08 1iveB1 ILE 94 HG23 -0.16 0.07 -0.37 -0.04 0.93 0.42 1iveB1 ILE 94 HD13 -1.73 -0.05 -0.11 -0.04 0.88 -1.05 1iveB1 THR 95 H -0.19 0.84 0.38 -0.55 8.28 8.76 1iveB1 THR 95 HA 0.24 0.06 0.22 -0.75 4.39 4.15 1iveB1 THR 95 HB 0.09 0.12 -0.20 -0.04 4.32 4.29 1iveB1 THR 95 HG23 0.23 -0.01 -0.11 -0.04 1.22 1.30 1iveB1 GLY 96 H -0.62 0.13 0.07 -0.55 8.43 7.46 1iveB1 GLY 96 HA2 -0.57 0.06 0.30 -0.51 4.01 3.30 1iveB1 GLY 96 HA3 -0.30 0.16 0.44 -0.51 4.01 3.81 1iveB1 PHE 97 H -0.49 0.29 0.07 -0.55 8.34 7.66 1iveB1 PHE 97 HA -0.12 0.15 0.94 -0.75 4.62 4.84 1iveB1 PHE 97 HB2 0.07 -0.02 -0.10 -0.04 3.15 3.06 1iveB1 PHE 97 HB3 0.13 0.02 -0.29 -0.04 3.06 2.88 1iveB1 PHE 97 HD2 0.06 -0.02 -0.53 -0.04 7.28 6.75 1iveB1 PHE 97 HE2 0.11 0.05 -0.13 -0.04 7.38 7.37 1iveB1 PHE 97 HZ 0.23 0.00 -0.19 -0.04 7.32 7.32 1iveB1 ALA 98 H 0.05 0.70 0.30 -0.55 8.40 8.90 1iveB1 ALA 98 HA 0.04 0.13 0.77 -0.75 4.34 4.54 1iveB1 ALA 98 HB3 -0.04 0.01 0.06 -0.04 1.41 1.39 1iveB1 PRO 99 HA -1.91 0.06 0.62 -0.51 4.44 2.71 1iveB1 PRO 99 HB2 -0.46 0.04 -0.00 -0.04 2.28 1.81 1iveB1 PRO 99 HB3 -1.19 0.02 0.10 -0.04 2.02 0.91 1iveB1 PRO 99 HG2 -0.24 0.03 0.04 -0.04 2.03 1.82 1iveB1 PRO 99 HG3 -1.28 0.04 0.03 -0.04 2.03 0.78 1iveB1 PRO 99 HD2 -0.09 0.09 0.19 -0.04 3.68 3.82 1iveB1 PRO 99 HD3 0.01 0.17 0.17 -0.04 3.65 3.96 1iveB1 PHE 100 H -0.52 0.50 0.44 -0.55 8.34 8.22 1iveB1 PHE 100 HA -0.22 0.21 0.89 -0.75 4.62 4.74 1iveB1 PHE 100 HB2 -0.22 -0.05 -0.25 -0.04 3.15 2.59 1iveB1 PHE 100 HB3 -0.17 -0.05 -0.17 -0.04 3.06 2.63 1iveB1 PHE 100 HD2 0.00 0.02 -0.05 -0.04 7.28 7.22 1iveB1 PHE 100 HE2 0.06 -0.01 -0.09 -0.04 7.38 7.30 1iveB1 PHE 100 HZ 0.01 -0.00 -0.08 -0.04 7.32 7.21 1iveB1 SER 101 H -0.20 0.34 0.40 -0.55 8.46 8.45 1iveB1 SER 101 HA -0.22 0.21 0.77 -0.75 4.49 4.50 1iveB1 SER 101 HB2 -0.42 0.06 -0.49 -0.04 3.95 3.06 1iveB1 SER 101 HB3 -0.14 -0.07 -0.22 -0.04 3.93 3.45 1iveB1 LYS 102 H -0.13 0.40 0.14 -0.55 8.42 8.28 1iveB1 LYS 102 HA -0.03 0.19 0.54 -0.75 4.32 4.26 1iveB1 LYS 102 HB2 -0.07 0.12 0.01 -0.04 1.87 1.88 1iveB1 LYS 102 HB3 -0.04 0.01 -0.04 -0.04 1.79 1.68 1iveB1 LYS 102 HG2 0.04 -0.25 0.11 -0.04 1.46 1.32 1iveB1 LYS 102 HG3 0.06 0.12 0.19 -0.04 1.46 1.79 1iveB1 LYS 102 HD2 0.11 -0.01 -0.04 -0.04 1.69 1.71 1iveB1 LYS 102 HD3 0.10 -0.01 -0.05 -0.04 1.68 1.68 1iveB1 LYS 102 HE2 0.21 0.04 -0.15 -0.04 2.99 3.05 1iveB1 LYS 102 HE3 0.29 -0.02 -0.11 -0.04 2.99 3.10 1iveB1 ASP 103 H -0.01 0.30 0.26 -0.55 8.40 8.40 1iveB1 ASP 103 HA -0.07 0.42 1.13 -0.75 4.63 5.36 1iveB1 ASP 103 HB2 -0.13 0.08 0.03 -0.04 2.71 2.66 1iveB1 ASP 103 HB3 -0.12 0.03 -0.15 -0.04 2.70 2.42 1iveB1 ASN 104 H 0.02 0.13 0.16 -0.55 8.53 8.29 1iveB1 ASN 104 HD21 0.07 0.04 -0.04 -0.04 7.03 7.06 1iveB1 ASN 104 HD22 0.07 0.06 0.05 -0.04 7.74 7.87 1iveB1 ASN 104 HA 0.05 0.08 0.29 -0.75 4.76 4.43 1iveB1 ASN 104 HB2 0.01 0.22 -0.23 -0.04 2.88 2.83 1iveB1 ASN 104 HB3 0.03 -0.04 0.14 -0.04 2.79 2.88 1iveB1 SER 105 H 0.01 -0.01 -0.65 -0.55 8.46 7.27 1iveB1 SER 105 HA 0.01 0.10 0.12 -0.75 4.49 3.98 1iveB1 SER 105 HB2 0.05 -0.14 0.17 -0.04 3.95 3.99 1iveB1 SER 105 HB3 0.06 0.18 0.01 -0.04 3.93 4.15 1iveB1 ILE 106 H 0.06 0.02 -0.17 -0.55 8.25 7.61 1iveB1 ILE 106 HA -0.02 0.15 0.32 -0.75 4.18 3.87 1iveB1 ILE 106 HB 0.10 -0.05 -0.05 -0.04 1.89 1.84 1iveB1 ILE 106 HG12 0.10 0.01 -0.34 -0.04 1.49 1.21 1iveB1 ILE 106 HG13 0.17 -0.00 -0.23 -0.04 1.21 1.10 1iveB1 ILE 106 HG23 0.12 0.01 -0.24 -0.04 0.93 0.79 1iveB1 ILE 106 HD13 -0.01 0.00 -0.20 -0.04 0.88 0.62 1iveB1 ARG 107 H 0.06 0.19 -0.10 -0.55 8.46 8.06 1iveB1 ARG 107 HA 0.08 0.03 0.34 -0.75 4.34 4.04 1iveB1 ARG 107 HB2 0.06 0.11 0.14 -0.04 1.90 2.17 1iveB1 ARG 107 HB3 0.06 0.03 -0.06 -0.04 1.80 1.79 1iveB1 ARG 107 HG2 0.10 -0.01 0.03 -0.04 1.67 1.74 1iveB1 ARG 107 HG3 0.09 -0.14 -0.15 -0.04 1.67 1.43 1iveB1 ARG 107 HD2 0.08 0.18 -0.04 -0.04 3.22 3.41 1iveB1 ARG 107 HD3 0.07 -0.03 0.02 -0.04 3.22 3.25 1iveB1 LEU 108 H 0.02 0.40 -0.24 -0.55 8.37 8.01 1iveB1 LEU 108 HA 0.01 0.07 0.27 -0.75 4.35 3.94 1iveB1 LEU 108 HB2 0.01 0.13 -0.06 -0.04 1.64 1.68 1iveB1 LEU 108 HB3 0.00 -0.05 -0.05 -0.04 1.64 1.50 1iveB1 LEU 108 HG 0.01 0.03 -0.06 -0.04 1.64 1.58 1iveB1 LEU 108 HD13 -0.01 -0.01 -0.09 -0.04 0.93 0.78 1iveB1 LEU 108 HD23 -0.00 -0.00 -0.03 -0.04 0.89 0.81 1iveB1 SER 109 H -0.02 0.34 -0.53 -0.55 8.46 7.71 1iveB1 SER 109 HA -0.05 -0.03 0.13 -0.75 4.49 3.79 1iveB1 SER 109 HB2 -0.15 0.14 -0.05 -0.04 3.95 3.85 1iveB1 SER 109 HB3 -0.17 -0.12 0.08 -0.04 3.93 3.68 1iveB1 ALA 110 H -0.00 0.38 -0.67 -0.55 8.40 7.56 1iveB1 ALA 110 HA 0.01 0.07 0.60 -0.75 4.34 4.26 1iveB1 ALA 110 HB3 0.06 0.03 -0.00 -0.04 1.41 1.46 1iveB1 GLY 111 H -0.01 0.33 -0.32 -0.55 8.43 7.88 1iveB1 GLY 111 HA2 -0.02 0.06 0.07 -0.51 4.01 3.60 1iveB1 GLY 111 HA3 -0.02 -0.01 0.54 -0.51 4.01 4.02 1iveB1 GLY 112 H -0.03 0.29 0.01 -0.55 8.43 8.15 1iveB1 GLY 112 HA2 -0.02 0.03 0.41 -0.51 4.01 3.92 1iveB1 GLY 112 HA3 -0.02 0.17 0.32 -0.51 4.01 3.97 1iveB1 ASP 113 H -0.01 0.16 0.04 -0.55 8.40 8.05 1iveB1 ASP 113 HA -0.07 0.19 0.96 -0.75 4.63 4.95 1iveB1 ASP 113 HB2 -0.02 -0.04 0.20 -0.04 2.71 2.82 1iveB1 ASP 113 HB3 -0.08 -0.00 0.12 -0.04 2.70 2.70 1iveB1 ILE 114 H -0.07 0.23 0.00 -0.55 8.25 7.86 1iveB1 ILE 114 HA 0.10 0.26 0.83 -0.75 4.18 4.62 1iveB1 ILE 114 HB -0.02 -0.02 -0.04 -0.04 1.89 1.77 1iveB1 ILE 114 HG12 0.01 -0.22 -0.60 -0.04 1.49 0.64 1iveB1 ILE 114 HG13 0.01 0.02 -0.36 -0.04 1.21 0.84 1iveB1 ILE 114 HG23 0.10 0.10 -0.08 -0.04 0.93 1.01 1iveB1 ILE 114 HD13 0.08 0.02 -0.26 -0.04 0.88 0.69 1iveB1 TRP 115 H 0.38 0.58 0.22 -0.55 7.97 8.61 1iveB1 TRP 115 HE1 -0.08 0.08 -0.10 -0.04 10.20 10.06 1iveB1 TRP 115 HA -0.02 0.13 0.66 -0.75 4.62 4.64 1iveB1 TRP 115 HB2 0.08 -0.02 0.10 -0.04 3.23 3.34 1iveB1 TRP 115 HB3 -0.04 0.04 -0.13 -0.04 3.23 3.06 1iveB1 TRP 115 HD1 -0.00 0.03 -0.48 -0.04 7.22 6.73 1iveB1 TRP 115 HE3 -0.04 0.09 0.12 -0.04 7.59 7.71 1iveB1 TRP 115 HZ2 -0.06 0.05 -0.07 -0.04 7.44 7.32 1iveB1 TRP 115 HZ3 -0.03 -0.16 -0.04 -0.04 7.13 6.86 1iveB1 TRP 115 HH2 -0.05 0.03 -0.10 -0.04 7.19 7.02 1iveB1 VAL 116 H 0.17 0.51 0.05 -0.55 8.24 8.41 1iveB1 VAL 116 HA 0.09 0.04 0.75 -0.75 4.13 4.26 1iveB1 VAL 116 HB 0.14 -0.06 0.05 -0.04 2.12 2.20 1iveB1 VAL 116 HG13 0.15 0.02 -0.03 -0.04 0.97 1.06 1iveB1 VAL 116 HG23 -0.01 -0.04 -0.33 -0.04 0.95 0.53 1iveB1 THR 117 H 0.12 0.03 0.20 -0.55 8.28 8.08 1iveB1 THR 117 HA 0.06 0.34 0.67 -0.75 4.39 4.70 1iveB1 THR 117 HB -0.03 0.01 0.04 -0.04 4.32 4.30 1iveB1 THR 117 HG23 -0.12 -0.02 -0.46 -0.04 1.22 0.58 1iveB1 ARG 118 H 0.02 0.59 0.25 -0.55 8.46 8.76 1iveB1 ARG 118 HA 0.05 -0.08 -0.10 -0.75 4.34 3.46 1iveB1 ARG 118 HB2 0.04 0.42 0.62 -0.04 1.90 2.94 1iveB1 ARG 118 HB3 -0.02 0.05 0.09 -0.04 1.80 1.87 1iveB1 ARG 118 HG2 -0.05 -0.18 0.09 -0.04 1.67 1.48 1iveB1 ARG 118 HG3 0.04 -0.04 -0.16 -0.04 1.67 1.47 1iveB1 ARG 118 HD2 0.02 0.04 -0.04 -0.04 3.22 3.21 1iveB1 ARG 118 HD3 -0.02 0.11 0.03 -0.04 3.22 3.30 1iveB1 GLU 119 H -0.09 0.11 0.12 -0.55 8.60 8.20 1iveB1 GLU 119 HA 0.02 0.02 0.40 -0.75 4.29 3.97 1iveB1 GLU 119 HB2 0.08 0.02 0.31 -0.04 2.09 2.46 1iveB1 GLU 119 HB3 0.16 0.09 0.21 -0.04 1.99 2.41 1iveB1 GLU 119 HG2 0.04 0.03 0.11 -0.04 2.34 2.48 1iveB1 GLU 119 HG3 -0.42 -0.04 0.15 -0.04 2.34 1.99 1iveB1 PRO 120 HA 0.06 0.25 0.59 -0.51 4.44 4.83 1iveB1 PRO 120 HB2 -0.00 0.01 -0.02 -0.04 2.28 2.23 1iveB1 PRO 120 HB3 0.10 -0.04 0.01 -0.04 2.02 2.05 1iveB1 PRO 120 HG2 0.32 0.03 -0.12 -0.04 2.03 2.23 1iveB1 PRO 120 HG3 0.19 0.01 -0.04 -0.04 2.03 2.15 1iveB1 PRO 120 HD2 0.17 0.04 0.15 -0.04 3.68 3.99 1iveB1 PRO 120 HD3 0.11 0.02 -0.09 -0.04 3.65 3.64 1iveB1 TYR 121 H -0.11 0.52 0.26 -0.55 8.29 8.41 1iveB1 TYR 121 HA -1.54 0.04 -0.16 -0.75 4.56 2.14 1iveB1 TYR 121 HB2 -0.16 -0.05 0.16 -0.04 3.06 2.96 1iveB1 TYR 121 HB3 -0.07 0.41 0.36 -0.04 2.98 3.64 1iveB1 TYR 121 HD2 -0.11 0.14 -0.49 -0.04 7.15 6.65 1iveB1 TYR 121 HE2 -0.35 -0.01 -0.24 -0.04 6.85 6.21 1iveB1 VAL 122 H -0.24 0.27 0.10 -0.55 8.24 7.83 1iveB1 VAL 122 HA 0.09 0.19 0.50 -0.75 4.13 4.16 1iveB1 VAL 122 HB -0.17 0.16 0.23 -0.04 2.12 2.29 1iveB1 VAL 122 HG13 -0.15 0.00 -0.28 -0.04 0.97 0.50 1iveB1 VAL 122 HG23 -0.92 -0.02 -0.13 -0.04 0.95 -0.16 1iveB1 SER 123 H 0.30 0.50 0.25 -0.55 8.46 8.97 1iveB1 SER 123 HA 0.17 0.13 0.40 -0.75 4.49 4.44 1iveB1 SER 123 HB2 0.28 0.08 0.09 -0.04 3.95 4.36 1iveB1 SER 123 HB3 0.62 -0.04 -0.05 -0.04 3.93 4.42 1iveB1 CYS 124 H 0.28 0.23 0.16 -0.55 8.50 8.63 1iveB1 CYS 124 HA 0.41 0.10 1.21 -0.75 4.58 5.55 1iveB1 CYS 124 HB2 0.20 0.03 -0.01 -0.04 2.97 3.15 1iveB1 CYS 124 HB3 0.15 0.13 -0.26 -0.04 2.97 2.96 1iveB1 ASP 125 H 0.43 0.24 0.29 -0.55 8.40 8.81 1iveB1 ASP 125 HA -0.71 0.10 0.73 -0.75 4.63 4.00 1iveB1 ASP 125 HB2 -0.68 0.05 0.10 -0.04 2.71 2.14 1iveB1 ASP 125 HB3 0.06 -0.01 0.10 -0.04 2.70 2.81 1iveB1 PRO 126 HA -0.15 0.12 0.10 -0.51 4.44 4.00 1iveB1 PRO 126 HB2 -0.13 0.06 0.07 -0.04 2.28 2.25 1iveB1 PRO 126 HB3 -0.20 0.03 0.13 -0.04 2.02 1.94 1iveB1 PRO 126 HG2 -0.20 0.06 0.05 -0.04 2.03 1.90 1iveB1 PRO 126 HG3 -0.15 0.04 0.08 -0.04 2.03 1.95 1iveB1 PRO 126 HD2 -1.10 0.05 0.19 -0.04 3.68 2.78 1iveB1 PRO 126 HD3 -0.50 0.17 0.19 -0.04 3.65 3.47 1iveB1 VAL 127 H -0.05 -0.01 -0.78 -0.55 8.24 6.85 1iveB1 VAL 127 HA -0.03 0.23 0.91 -0.75 4.13 4.49 1iveB1 VAL 127 HB -0.02 0.03 0.04 -0.04 2.12 2.13 1iveB1 VAL 127 HG13 -0.04 0.01 -0.19 -0.04 0.97 0.71 1iveB1 VAL 127 HG23 0.02 -0.02 -0.21 -0.04 0.95 0.69 1iveB1 LYS 128 H 0.05 0.04 0.06 -0.55 8.42 8.02 1iveB1 LYS 128 HA -0.01 0.17 0.37 -0.75 4.32 4.09 1iveB1 LYS 128 HB2 -0.20 -0.05 0.16 -0.04 1.87 1.74 1iveB1 LYS 128 HB3 -0.06 0.17 0.04 -0.04 1.79 1.90 1iveB1 LYS 128 HG2 0.05 -0.05 -0.18 -0.04 1.46 1.24 1iveB1 LYS 128 HG3 -0.02 -0.05 -0.17 -0.04 1.46 1.19 1iveB1 LYS 128 HD2 -0.13 -0.03 -0.09 -0.04 1.69 1.40 1iveB1 LYS 128 HD3 -0.16 0.04 -0.03 -0.04 1.68 1.48 1iveB1 LYS 128 HE2 -0.01 0.04 -0.09 -0.04 2.99 2.89 1iveB1 LYS 128 HE3 0.08 -0.02 -0.08 -0.04 2.99 2.93 1iveB1 CYS 129 H -0.16 0.20 0.19 -0.55 8.50 8.18 1iveB1 CYS 129 HA 0.13 0.17 1.00 -0.75 4.58 5.12 1iveB1 CYS 129 HB2 -0.08 -0.02 -0.01 -0.04 2.97 2.81 1iveB1 CYS 129 HB3 -0.09 0.07 -0.18 -0.04 2.97 2.72 1iveB1 TYR 130 H 0.23 0.76 0.45 -0.55 8.29 9.18 1iveB1 TYR 130 HA -0.18 0.06 0.90 -0.75 4.56 4.58 1iveB1 TYR 130 HB2 -0.31 -0.03 0.03 -0.04 3.06 2.70 1iveB1 TYR 130 HB3 -0.63 0.18 0.03 -0.04 2.98 2.52 1iveB1 TYR 130 HD2 0.08 0.04 -0.22 -0.04 7.15 7.01 1iveB1 TYR 130 HE2 0.11 -0.00 -0.11 -0.04 6.85 6.81 1iveB1 GLN 131 H -0.21 0.53 0.10 -0.55 8.47 8.34 1iveB1 GLN 131 HE21 -0.42 -0.10 -0.14 -0.04 6.97 6.27 1iveB1 GLN 131 HE22 -1.09 0.01 -0.15 -0.04 7.69 6.42 1iveB1 GLN 131 HA -0.04 0.25 0.97 -0.75 4.36 4.79 1iveB1 GLN 131 HB2 -0.03 0.07 0.06 -0.04 2.15 2.20 1iveB1 GLN 131 HB3 -0.14 -0.07 0.04 -0.04 2.02 1.80 1iveB1 GLN 131 HG2 -0.27 0.09 -0.11 -0.04 2.40 2.07 1iveB1 GLN 131 HG3 -0.26 -0.02 -0.14 -0.04 2.39 1.93 1iveB1 PHE 132 H 0.02 0.69 0.28 -0.55 8.34 8.78 1iveB1 PHE 132 HA -0.28 0.36 0.83 -0.75 4.62 4.78 1iveB1 PHE 132 HB2 -1.52 -0.06 -0.06 -0.04 3.15 1.46 1iveB1 PHE 132 HB3 -0.70 0.05 0.01 -0.04 3.06 2.38 1iveB1 PHE 132 HD2 -0.35 0.06 -0.26 -0.04 7.28 6.70 1iveB1 PHE 132 HE2 -0.14 -0.01 -0.13 -0.04 7.38 7.06 1iveB1 PHE 132 HZ -1.13 -0.05 -0.17 -0.04 7.32 5.94 1iveB1 ALA 133 H -0.34 0.44 0.19 -0.55 8.40 8.15 1iveB1 ALA 133 HA -0.07 0.25 0.12 -0.75 4.34 3.89 1iveB1 ALA 133 HB3 -0.25 0.01 -0.06 -0.04 1.41 1.06 1iveB1 LEU 134 H -0.03 0.54 0.15 -0.55 8.37 8.48 1iveB1 LEU 134 HA -0.11 0.20 0.98 -0.75 4.35 4.67 1iveB1 LEU 134 HB2 0.03 0.15 0.20 -0.04 1.64 1.99 1iveB1 LEU 134 HB3 0.04 0.08 0.03 -0.04 1.64 1.75 1iveB1 LEU 134 HG 0.10 0.06 -0.18 -0.04 1.64 1.58 1iveB1 LEU 134 HD13 0.00 -0.04 -0.31 -0.04 0.93 0.54 1iveB1 LEU 134 HD23 0.11 -0.02 -0.13 -0.04 0.89 0.82 1iveB1 GLY 135 H -0.23 0.51 0.35 -0.55 8.43 8.51 1iveB1 GLY 135 HA2 -0.01 0.24 0.71 -0.51 4.01 4.44 1iveB1 GLY 135 HA3 -0.17 -0.05 0.41 -0.51 4.01 3.69 1iveB1 GLN 136 H 0.27 0.66 0.25 -0.55 8.47 9.10 1iveB1 GLN 136 HE21 0.08 0.30 -0.01 -0.04 6.97 7.30 1iveB1 GLN 136 HE22 0.08 -0.01 -0.04 -0.04 7.69 7.68 1iveB1 GLN 136 HA 0.15 0.20 0.81 -0.75 4.36 4.77 1iveB1 GLN 136 HB2 0.17 -0.08 0.08 -0.04 2.15 2.28 1iveB1 GLN 136 HB3 0.15 0.01 0.16 -0.04 2.02 2.30 1iveB1 GLN 136 HG2 0.12 0.01 -0.38 -0.04 2.40 2.11 1iveB1 GLN 136 HG3 0.13 0.04 -0.06 -0.04 2.39 2.46 1iveB1 GLY 137 H 0.30 0.19 -0.45 -0.55 8.43 7.93 1iveB1 GLY 137 HA2 0.39 0.03 0.26 -0.51 4.01 4.17 1iveB1 GLY 137 HA3 0.21 0.01 0.36 -0.51 4.01 4.09 1iveB1 THR 138 H 0.26 0.04 -0.39 -0.55 8.28 7.65 1iveB1 THR 138 HA -0.27 0.07 0.40 -0.75 4.39 3.84 1iveB1 THR 138 HB 0.03 0.15 -0.29 -0.04 4.32 4.17 1iveB1 THR 138 HG23 0.10 0.10 -0.17 -0.04 1.22 1.20 1iveB1 THR 139 H -0.22 0.14 0.06 -0.55 8.28 7.71 1iveB1 THR 139 HA -0.22 0.17 0.49 -0.75 4.39 4.06 1iveB1 THR 139 HB -0.21 -0.07 -0.02 -0.04 4.32 3.97 1iveB1 THR 139 HG23 -0.61 0.00 -0.34 -0.04 1.22 0.22 1iveB1 LEU 140 H -0.15 0.50 0.13 -0.55 8.37 8.30 1iveB1 LEU 140 HA -0.20 0.12 0.43 -0.75 4.35 3.96 1iveB1 LEU 140 HB2 -0.26 0.09 0.01 -0.04 1.64 1.44 1iveB1 LEU 140 HB3 -0.30 0.08 0.01 -0.04 1.64 1.39 1iveB1 LEU 140 HG -0.89 -0.03 0.00 -0.04 1.64 0.68 1iveB1 LEU 140 HD13 -0.86 -0.01 -0.12 -0.04 0.93 -0.11 1iveB1 LEU 140 HD23 -1.05 0.01 -0.13 -0.04 0.89 -0.32 1iveB1 ASP 141 H -0.13 0.08 -0.04 -0.55 8.40 7.76 1iveB1 ASP 141 HA -0.06 0.15 0.83 -0.75 4.63 4.80 1iveB1 ASP 141 HB2 -0.08 0.12 0.18 -0.04 2.71 2.89 1iveB1 ASP 141 HB3 -0.06 -0.04 0.25 -0.04 2.70 2.81 1iveB1 ASN 142 H -0.04 0.43 -0.34 -0.55 8.53 8.04 1iveB1 ASN 142 HD21 0.04 0.07 -0.01 -0.04 7.03 7.08 1iveB1 ASN 142 HD22 -0.10 -0.13 -0.05 -0.04 7.74 7.42 1iveB1 ASN 142 HA -0.07 0.09 0.65 -0.75 4.76 4.67 1iveB1 ASN 142 HB2 -0.08 -0.07 -0.61 -0.04 2.88 2.08 1iveB1 ASN 142 HB3 -0.03 0.20 -0.04 -0.04 2.79 2.88 1iveB1 LYS 143 H -0.11 0.21 0.10 -0.55 8.42 8.06 1iveB1 LYS 143 HA -0.08 0.06 0.40 -0.75 4.32 3.96 1iveB1 LYS 143 HB2 -0.26 -0.01 0.16 -0.04 1.87 1.72 1iveB1 LYS 143 HB3 -0.21 0.07 0.07 -0.04 1.79 1.67 1iveB1 LYS 143 HG2 -0.11 0.03 0.09 -0.04 1.46 1.43 1iveB1 LYS 143 HG3 -0.09 -0.02 0.09 -0.04 1.46 1.40 1iveB1 LYS 143 HD2 -0.11 -0.00 0.05 -0.04 1.69 1.59 1iveB1 LYS 143 HD3 -0.12 0.02 0.04 -0.04 1.68 1.58 1iveB1 LYS 143 HE2 -0.07 0.01 0.02 -0.04 2.99 2.92 1iveB1 LYS 143 HE3 -0.07 0.01 0.03 -0.04 2.99 2.91 1iveB1 HIS 144 H -0.35 0.00 -0.48 -0.55 8.41 7.04 1iveB1 HIS 144 HA 0.02 0.08 0.35 -0.75 4.63 4.33 1iveB1 HIS 144 HB2 -0.03 -0.03 -0.01 -0.04 3.26 3.15 1iveB1 HIS 144 HB3 0.01 0.10 0.09 -0.04 3.20 3.35 1iveB1 HIS 144 HD2 0.00 0.04 -0.02 -0.04 6.97 6.95 1iveB1 HIS 144 HE1 -0.04 -0.00 0.00 -0.04 7.75 7.66 1iveB1 SER 145 H 0.06 0.44 -0.41 -0.55 8.46 8.00 1iveB1 SER 145 HA 0.14 0.13 0.48 -0.75 4.49 4.48 1iveB1 SER 145 HB2 0.16 -0.16 0.09 -0.04 3.95 4.00 1iveB1 SER 145 HB3 0.04 0.19 0.13 -0.04 3.93 4.24 1iveB1 ASN 146 H 0.11 0.23 -0.10 -0.55 8.53 8.21 1iveB1 ASN 146 HD21 -0.30 0.00 0.06 -0.04 7.03 6.75 1iveB1 ASN 146 HA 0.24 -0.01 0.47 -0.75 4.76 4.70 1iveB1 ASN 146 HB2 -0.00 0.10 0.18 -0.04 2.88 3.12 1iveB1 ASN 146 HB3 0.04 0.02 0.02 -0.04 2.79 2.83 1iveB1 ASN 146 HD22 -0.29 0.00 0.06 -0.04 7.74 7.46 1iveB1 ASP 147 H 0.24 0.32 0.29 -0.55 8.40 8.71 1iveB1 ASP 147 HA 0.10 -0.02 0.41 -0.75 4.63 4.36 1iveB1 ASP 147 HB2 0.17 0.10 -0.42 -0.04 2.71 2.52 1iveB1 ASP 147 HB3 0.28 0.00 0.32 -0.04 2.70 3.27 1iveB1 THR 148 H 0.15 0.25 -0.04 -0.55 8.28 8.08 1iveB1 THR 148 HA 0.10 0.20 0.48 -0.75 4.39 4.42 1iveB1 THR 148 HB 0.14 0.09 0.21 -0.04 4.32 4.72 1iveB1 THR 148 HG23 0.15 0.02 -0.03 -0.04 1.22 1.32 1iveB1 VAL 149 H -0.07 0.00 -0.38 -0.55 8.24 7.24 1iveB1 VAL 149 HA -0.05 0.10 0.47 -0.75 4.13 3.89 1iveB1 VAL 149 HB -0.16 -0.01 -0.13 -0.04 2.12 1.78 1iveB1 VAL 149 HG13 -0.08 0.01 -0.07 -0.04 0.97 0.78 1iveB1 VAL 149 HG23 -0.58 -0.02 -0.08 -0.04 0.95 0.24 1iveB1 HIS 150 H -0.44 0.25 -0.28 -0.55 8.41 7.40 1iveB1 HIS 150 HA -0.01 -0.07 0.54 -0.75 4.63 4.34 1iveB1 HIS 150 HB2 0.01 0.07 0.02 -0.04 3.26 3.32 1iveB1 HIS 150 HB3 -0.02 -0.06 0.00 -0.04 3.20 3.08 1iveB1 HIS 150 HD2 0.05 0.16 0.16 -0.04 6.97 7.30 1iveB1 HIS 150 HE1 0.02 -0.04 0.03 -0.04 7.75 7.72 1iveB1 ASP 151 H 0.02 0.06 0.21 -0.55 8.40 8.15 1iveB1 ASP 151 HA 0.00 0.20 0.29 -0.75 4.63 4.37 1iveB1 ASP 151 HB2 -0.09 -0.09 0.13 -0.04 2.71 2.61 1iveB1 ASP 151 HB3 -0.09 0.03 -0.03 -0.04 2.70 2.57 1iveB1 ARG 152 H -0.12 0.05 -0.06 -0.55 8.46 7.77 1iveB1 ARG 152 HA -0.22 0.23 1.06 -0.75 4.34 4.65 1iveB1 ARG 152 HB2 -0.53 -0.07 0.15 -0.04 1.90 1.41 1iveB1 ARG 152 HB3 -1.06 -0.01 0.07 -0.04 1.80 0.76 1iveB1 ARG 152 HG2 -2.11 0.05 0.05 -0.04 1.67 -0.38 1iveB1 ARG 152 HG3 -0.61 0.02 -0.34 -0.04 1.67 0.70 1iveB1 ARG 152 HD2 -2.27 -0.02 -0.04 -0.04 3.22 0.85 1iveB1 ARG 152 HD3 -0.88 0.06 -0.04 -0.04 3.22 2.32 1iveB1 ILE 153 H 0.13 0.29 0.13 -0.55 8.25 8.25 1iveB1 ILE 153 HA -0.02 0.15 0.25 -0.75 4.18 3.81 1iveB1 ILE 153 HB -0.16 0.00 0.16 -0.04 1.89 1.84 1iveB1 ILE 153 HG12 0.07 0.12 -0.11 -0.04 1.49 1.53 1iveB1 ILE 153 HG13 -0.00 -0.43 -0.23 -0.04 1.21 0.51 1iveB1 ILE 153 HG23 0.02 0.02 -0.12 -0.04 0.93 0.80 1iveB1 ILE 153 HD13 0.10 0.05 -0.12 -0.04 0.88 0.88 1iveB1 PRO 154 HA 0.02 0.07 0.42 -0.51 4.44 4.44 1iveB1 PRO 154 HB2 -0.15 0.07 0.03 -0.04 2.28 2.18 1iveB1 PRO 154 HB3 -0.01 0.01 0.10 -0.04 2.02 2.08 1iveB1 PRO 154 HG2 -0.12 0.06 0.06 -0.04 2.03 1.99 1iveB1 PRO 154 HG3 -0.04 0.01 0.04 -0.04 2.03 2.00 1iveB1 PRO 154 HD2 -0.57 0.15 0.17 -0.04 3.68 3.39 1iveB1 PRO 154 HD3 -0.13 0.14 0.19 -0.04 3.65 3.81 1iveB1 HIS 155 H -0.27 0.00 -0.59 -0.55 8.41 7.01 1iveB1 HIS 155 HA 0.05 0.19 0.56 -0.75 4.63 4.68 1iveB1 HIS 155 HB2 0.07 0.09 -0.19 -0.04 3.26 3.19 1iveB1 HIS 155 HB3 0.06 0.00 0.04 -0.04 3.20 3.26 1iveB1 HIS 155 HD2 0.02 0.09 -0.03 -0.04 6.97 7.01 1iveB1 HIS 155 HE1 0.01 -0.01 -0.05 -0.04 7.75 7.66 1iveB1 ARG 156 H 0.12 0.10 -0.21 -0.55 8.46 7.92 1iveB1 ARG 156 HA 0.10 0.28 0.62 -0.75 4.34 4.59 1iveB1 ARG 156 HB2 0.15 -0.00 -0.14 -0.04 1.90 1.87 1iveB1 ARG 156 HB3 0.11 0.09 0.16 -0.04 1.80 2.11 1iveB1 ARG 156 HG2 0.15 -0.21 0.06 -0.04 1.67 1.62 1iveB1 ARG 156 HG3 0.27 -0.11 0.15 -0.04 1.67 1.94 1iveB1 ARG 156 HD2 0.12 0.02 0.01 -0.04 3.22 3.33 1iveB1 ARG 156 HD3 0.11 0.01 -0.10 -0.04 3.22 3.20 1iveB1 THR 157 H -0.04 0.24 0.33 -0.55 8.28 8.26 1iveB1 THR 157 HA -0.09 0.09 0.92 -0.75 4.39 4.56 1iveB1 THR 157 HB -0.18 -0.07 -0.04 -0.04 4.32 3.99 1iveB1 THR 157 HG23 -0.02 0.05 -0.17 -0.04 1.22 1.04 1iveB1 LEU 158 H -0.15 0.42 0.15 -0.55 8.37 8.25 1iveB1 LEU 158 HA -0.17 0.26 0.86 -0.75 4.35 4.54 1iveB1 LEU 158 HB2 -0.07 0.01 -0.06 -0.04 1.64 1.48 1iveB1 LEU 158 HB3 -0.15 -0.10 0.08 -0.04 1.64 1.43 1iveB1 LEU 158 HG -0.06 0.03 -0.23 -0.04 1.64 1.34 1iveB1 LEU 158 HD13 0.00 0.02 -0.12 -0.04 0.93 0.80 1iveB1 LEU 158 HD23 0.06 -0.01 -0.15 -0.04 0.89 0.75 1iveB1 LEU 159 H -0.41 0.68 0.43 -0.55 8.37 8.53 1iveB1 LEU 159 HA -0.47 0.21 0.81 -0.75 4.35 4.14 1iveB1 LEU 159 HB2 -1.16 -0.09 0.00 -0.04 1.64 0.35 1iveB1 LEU 159 HB3 -0.84 -0.01 -0.06 -0.04 1.64 0.68 1iveB1 LEU 159 HG -0.78 0.06 0.03 -0.04 1.64 0.92 1iveB1 LEU 159 HD13 -1.10 -0.02 -0.13 -0.04 0.93 -0.36 1iveB1 LEU 159 HD23 -1.41 -0.00 -0.17 -0.04 0.89 -0.74 1iveB1 MET 160 H -0.33 0.39 0.17 -0.55 8.47 8.15 1iveB1 MET 160 HA -0.51 0.33 0.78 -0.75 4.52 4.37 1iveB1 MET 160 HB2 -0.56 0.03 -0.15 -0.04 2.15 1.42 1iveB1 MET 160 HB3 -0.42 0.01 0.06 -0.04 2.03 1.63 1iveB1 MET 160 HG2 -0.50 -0.04 -0.25 -0.04 2.63 1.79 1iveB1 MET 160 HG3 -1.15 0.04 -0.04 -0.04 2.56 1.37 1iveB1 MET 160 HE3 -1.58 -0.02 -0.12 -0.04 2.10 0.34 1iveB1 ASN 161 H -0.18 0.59 0.25 -0.55 8.53 8.64 1iveB1 ASN 161 HD21 -0.13 -0.07 -0.14 -0.04 7.03 6.64 1iveB1 ASN 161 HD22 -0.35 -0.05 -0.42 -0.04 7.74 6.89 1iveB1 ASN 161 HA -0.08 0.12 0.65 -0.75 4.76 4.70 1iveB1 ASN 161 HB2 -0.24 -0.05 -0.03 -0.04 2.88 2.52 1iveB1 ASN 161 HB3 -0.18 0.16 0.06 -0.04 2.79 2.79 1iveB1 GLU 162 H -0.08 0.12 0.11 -0.55 8.60 8.20 1iveB1 GLU 162 HA -0.51 0.11 0.63 -0.75 4.29 3.77 1iveB1 GLU 162 HB2 -0.16 -0.01 0.11 -0.04 2.09 1.99 1iveB1 GLU 162 HB3 -0.16 -0.03 0.03 -0.04 1.99 1.78 1iveB1 GLU 162 HG2 -0.23 0.11 -0.08 -0.04 2.34 2.10 1iveB1 GLU 162 HG3 -0.41 0.07 0.16 -0.04 2.34 2.12 1iveB1 LEU 163 H -0.37 0.73 0.40 -0.55 8.37 8.59 1iveB1 LEU 163 HA -0.23 -0.03 0.30 -0.75 4.35 3.64 1iveB1 LEU 163 HB2 -0.23 0.03 -0.27 -0.04 1.64 1.13 1iveB1 LEU 163 HB3 -0.27 0.00 0.11 -0.04 1.64 1.43 1iveB1 LEU 163 HG -0.29 0.00 -0.22 -0.04 1.64 1.09 1iveB1 LEU 163 HD13 -0.16 -0.00 -0.18 -0.04 0.93 0.55 1iveB1 LEU 163 HD23 -0.18 -0.01 -0.18 -0.04 0.89 0.49 1iveB1 GLY 164 H -0.24 0.27 0.16 -0.55 8.43 8.07 1iveB1 GLY 164 HA2 -0.18 -0.05 0.17 -0.51 4.01 3.44 1iveB1 GLY 164 HA3 -0.19 0.24 0.65 -0.51 4.01 4.20 1iveB1 VAL 165 H -0.18 0.30 -0.20 -0.55 8.24 7.61 1iveB1 VAL 165 HA -0.11 0.18 0.87 -0.75 4.13 4.32 1iveB1 VAL 165 HB -0.08 0.01 0.11 -0.04 2.12 2.12 1iveB1 VAL 165 HG13 -0.12 0.05 0.01 -0.04 0.97 0.87 1iveB1 VAL 165 HG23 0.03 0.00 -0.06 -0.04 0.95 0.89 1iveB1 PRO 166 HA -0.44 0.05 0.44 -0.51 4.44 3.98 1iveB1 PRO 166 HB2 -0.04 0.01 -0.07 -0.04 2.28 2.15 1iveB1 PRO 166 HB3 -0.11 0.05 0.06 -0.04 2.02 1.98 1iveB1 PRO 166 HG2 0.01 -0.02 -0.05 -0.04 2.03 1.92 1iveB1 PRO 166 HG3 -0.04 0.10 0.04 -0.04 2.03 2.09 1iveB1 PRO 166 HD2 -0.06 0.05 0.23 -0.04 3.68 3.85 1iveB1 PRO 166 HD3 -0.10 0.35 0.25 -0.04 3.65 4.11 1iveB1 PHE 167 H -0.38 0.10 0.02 -0.55 8.34 7.53 1iveB1 PHE 167 HA -0.12 0.12 0.46 -0.75 4.62 4.34 1iveB1 PHE 167 HB2 0.05 -0.01 0.15 -0.04 3.15 3.30 1iveB1 PHE 167 HB3 -0.22 0.07 0.03 -0.04 3.06 2.90 1iveB1 PHE 167 HD2 -0.16 0.03 -0.14 -0.04 7.28 6.96 1iveB1 PHE 167 HE2 -0.19 0.00 -0.30 -0.04 7.38 6.85 1iveB1 PHE 167 HZ -0.20 -0.02 -0.62 -0.04 7.32 6.44 1iveB1 HIS 168 H -0.07 0.41 0.28 -0.55 8.41 8.49 1iveB1 HIS 168 HA 0.16 0.27 0.80 -0.75 4.63 5.11 1iveB1 HIS 168 HB2 0.05 -0.09 0.19 -0.04 3.26 3.37 1iveB1 HIS 168 HB3 0.04 0.04 0.05 -0.04 3.20 3.28 1iveB1 HIS 168 HD2 0.04 -0.17 -0.02 -0.04 6.97 6.77 1iveB1 HIS 168 HE1 -0.03 0.00 -0.06 -0.04 7.75 7.62 1iveB1 LEU 169 H 0.15 0.27 0.17 -0.55 8.37 8.42 1iveB1 LEU 169 HA 0.17 0.13 0.38 -0.75 4.35 4.28 1iveB1 LEU 169 HB2 0.07 -0.03 0.15 -0.04 1.64 1.78 1iveB1 LEU 169 HB3 0.04 0.04 0.06 -0.04 1.64 1.73 1iveB1 LEU 169 HG -0.09 0.04 0.04 -0.04 1.64 1.59 1iveB1 LEU 169 HD13 -0.05 0.00 0.01 -0.04 0.93 0.84 1iveB1 LEU 169 HD23 -0.24 0.01 -0.05 -0.04 0.89 0.57 1iveB1 GLY 170 H 0.28 0.03 -0.34 -0.55 8.43 7.85 1iveB1 GLY 170 HA2 0.08 0.15 0.37 -0.51 4.01 4.10 1iveB1 GLY 170 HA3 0.21 -0.03 0.26 -0.51 4.01 3.94 1iveB1 THR 171 H -0.02 0.24 -0.84 -0.55 8.28 7.11 1iveB1 THR 171 HA -0.17 0.07 0.69 -0.75 4.39 4.22 1iveB1 THR 171 HB -0.23 0.02 -0.03 -0.04 4.32 4.04 1iveB1 THR 171 HG23 -0.10 0.00 -0.12 -0.04 1.22 0.96 1iveB1 ARG 172 H -0.13 0.18 0.16 -0.55 8.46 8.12 1iveB1 ARG 172 HA -0.11 0.09 0.73 -0.75 4.34 4.30 1iveB1 ARG 172 HB2 -0.10 0.02 0.08 -0.04 1.90 1.85 1iveB1 ARG 172 HB3 -0.17 0.01 0.16 -0.04 1.80 1.77 1iveB1 ARG 172 HG2 -0.18 0.00 -0.64 -0.04 1.67 0.81 1iveB1 ARG 172 HG3 -0.11 0.04 -0.10 -0.04 1.67 1.45 1iveB1 ARG 172 HD2 -0.11 -0.01 -0.04 -0.04 3.22 3.02 1iveB1 ARG 172 HD3 -0.17 -0.04 -0.05 -0.04 3.22 2.91 1iveB1 GLN 173 H -0.14 0.21 0.10 -0.55 8.47 8.10 1iveB1 GLN 173 HE21 0.22 -0.00 -0.02 -0.04 6.97 7.12 1iveB1 GLN 173 HE22 0.14 0.03 0.01 -0.04 7.69 7.84 1iveB1 GLN 173 HA -0.32 0.12 0.59 -0.75 4.36 4.00 1iveB1 GLN 173 HB2 -0.11 -0.00 0.11 -0.04 2.15 2.11 1iveB1 GLN 173 HB3 -0.19 0.00 -0.01 -0.04 2.02 1.79 1iveB1 GLN 173 HG2 -0.42 -0.01 -0.10 -0.04 2.40 1.82 1iveB1 GLN 173 HG3 -0.08 0.05 0.08 -0.04 2.39 2.40 1iveB1 VAL 174 H -0.27 0.81 0.33 -0.55 8.24 8.56 1iveB1 VAL 174 HA -0.22 0.10 0.48 -0.75 4.13 3.74 1iveB1 VAL 174 HB -0.34 0.04 0.02 -0.04 2.12 1.80 1iveB1 VAL 174 HG13 -0.65 -0.03 -0.03 -0.04 0.97 0.22 1iveB1 VAL 174 HG23 -0.34 0.03 -0.06 -0.04 0.95 0.54 1iveB1 CYS 175 H -0.18 0.17 -0.05 -0.55 8.50 7.90 1iveB1 CYS 175 HA -0.11 0.10 0.27 -0.75 4.58 4.08 1iveB1 CYS 175 HB2 -0.10 -0.04 0.13 -0.04 2.97 2.92 1iveB1 CYS 175 HB3 -0.14 0.26 -0.11 -0.04 2.97 2.93 1iveB1 ILE 176 H -0.10 0.13 0.10 -0.55 8.25 7.83 1iveB1 ILE 176 HA -0.09 0.25 0.96 -0.75 4.18 4.55 1iveB1 ILE 176 HB -0.12 -0.07 0.09 -0.04 1.89 1.75 1iveB1 ILE 176 HG12 -0.05 0.03 -0.07 -0.04 1.49 1.35 1iveB1 ILE 176 HG13 -0.07 -0.05 0.05 -0.04 1.21 1.10 1iveB1 ILE 176 HG23 -0.07 0.02 0.05 -0.04 0.93 0.89 1iveB1 ILE 176 HD13 -0.03 0.02 0.01 -0.04 0.88 0.83 1iveB1 ALA 177 H -0.10 0.60 0.04 -0.55 8.40 8.39 1iveB1 ALA 177 HA -0.37 0.09 0.31 -0.75 4.34 3.61 1iveB1 ALA 177 HB3 -0.12 0.06 -0.21 -0.04 1.41 1.10 1iveB1 TRP 178 H -0.64 0.59 0.33 -0.55 7.97 7.69 1iveB1 TRP 178 HE1 -0.04 0.08 -0.01 -0.04 10.20 10.18 1iveB1 TRP 178 HA -0.01 0.25 0.83 -0.75 4.62 4.93 1iveB1 TRP 178 HB2 -0.00 0.09 0.35 -0.04 3.23 3.64 1iveB1 TRP 178 HB3 -0.01 -0.01 0.28 -0.04 3.23 3.45 1iveB1 TRP 178 HD1 -0.04 0.19 0.09 -0.04 7.22 7.42 1iveB1 TRP 178 HE3 -0.02 0.01 -0.30 -0.04 7.59 7.23 1iveB1 TRP 178 HZ2 -0.04 0.01 -0.42 -0.04 7.44 6.95 1iveB1 TRP 178 HZ3 -0.05 0.31 -0.04 -0.04 7.13 7.31 1iveB1 TRP 178 HH2 -0.07 -0.09 -0.17 -0.04 7.19 6.82 1iveB1 SER 179 H 0.03 0.15 -0.09 -0.55 8.46 8.00 1iveB1 SER 179 HA 0.17 0.13 0.66 -0.75 4.49 4.70 1iveB1 SER 179 HB2 0.49 0.21 -0.27 -0.04 3.95 4.34 1iveB1 SER 179 HB3 0.18 -0.01 -0.06 -0.04 3.93 4.01 1iveB1 SER 180 H 0.07 0.21 0.14 -0.55 8.46 8.34 1iveB1 SER 180 HA -0.01 0.30 0.67 -0.75 4.49 4.69 1iveB1 SER 180 HB2 0.07 0.02 0.12 -0.04 3.95 4.11 1iveB1 SER 180 HB3 0.03 0.00 -0.38 -0.04 3.93 3.54 1iveB1 SER 181 H 0.04 0.43 0.24 -0.55 8.46 8.62 1iveB1 SER 181 HA -0.25 0.13 0.33 -0.75 4.49 3.94 1iveB1 SER 181 HB2 -0.09 0.05 0.41 -0.04 3.95 4.27 1iveB1 SER 181 HB3 -0.01 -0.10 -0.02 -0.04 3.93 3.77 1iveB1 SER 182 H -0.05 0.28 0.17 -0.55 8.46 8.32 1iveB1 SER 182 HA 0.08 0.32 1.03 -0.75 4.49 5.17 1iveB1 SER 182 HB2 -0.23 -0.05 -0.04 -0.04 3.95 3.58 1iveB1 SER 182 HB3 0.24 0.08 0.08 -0.04 3.93 4.29 1iveB1 CYS 183 H 0.19 0.55 0.36 -0.55 8.50 9.05 1iveB1 CYS 183 HA 0.14 0.13 0.43 -0.75 4.58 4.52 1iveB1 CYS 183 HB2 0.08 -0.07 -0.07 -0.04 2.97 2.87 1iveB1 CYS 183 HB3 0.09 0.28 0.02 -0.04 2.97 3.32 1iveB1 HIS 184 H -0.04 0.31 0.12 -0.55 8.41 8.25 1iveB1 HIS 184 HA -0.38 0.27 0.98 -0.75 4.63 4.74 1iveB1 HIS 184 HB2 -1.83 -0.01 -0.22 -0.04 3.26 1.16 1iveB1 HIS 184 HB3 -0.56 0.14 0.17 -0.04 3.20 2.91 1iveB1 HIS 184 HD2 -1.87 -0.01 -0.21 -0.04 6.97 4.83 1iveB1 HIS 184 HE1 -0.14 0.09 -0.31 -0.04 7.75 7.34 1iveB1 ASP 185 H -0.17 0.34 0.21 -0.55 8.40 8.23 1iveB1 ASP 185 HA 0.07 0.11 0.15 -0.75 4.63 4.21 1iveB1 ASP 185 HB2 0.08 -0.01 0.02 -0.04 2.71 2.76 1iveB1 ASP 185 HB3 0.08 0.03 0.00 -0.04 2.70 2.78 1iveB1 GLY 186 H -0.04 0.07 -0.71 -0.55 8.43 7.21 1iveB1 GLY 186 HA2 0.20 0.07 0.29 -0.51 4.01 4.05 1iveB1 GLY 186 HA3 0.07 0.02 0.63 -0.51 4.01 4.22 1iveB1 LYS 187 H -0.10 -0.11 -0.16 -0.55 8.42 7.49 1iveB1 LYS 187 HA 0.01 0.19 0.03 -0.75 4.32 3.79 1iveB1 LYS 187 HB2 0.05 -0.15 0.10 -0.04 1.87 1.83 1iveB1 LYS 187 HB3 -0.04 0.03 0.09 -0.04 1.79 1.83 1iveB1 LYS 187 HG2 -0.16 0.11 0.15 -0.04 1.46 1.52 1iveB1 LYS 187 HG3 -0.18 0.06 -0.35 -0.04 1.46 0.95 1iveB1 LYS 187 HD2 -0.58 -0.09 -0.10 -0.04 1.69 0.87 1iveB1 LYS 187 HD3 -0.27 0.01 -0.05 -0.04 1.68 1.33 1iveB1 LYS 187 HE2 -0.46 0.11 -0.45 -0.04 2.99 2.15 1iveB1 LYS 187 HE3 -1.94 -0.10 -0.34 -0.04 2.99 0.57 1iveB1 ALA 188 H -0.18 0.05 0.11 -0.55 8.40 7.83 1iveB1 ALA 188 HA -0.25 0.30 0.95 -0.75 4.34 4.58 1iveB1 ALA 188 HB3 -0.58 0.01 -0.02 -0.04 1.41 0.77 1iveB1 TRP 189 H -0.04 0.16 0.18 -0.55 7.97 7.72 1iveB1 TRP 189 HE1 -0.23 0.01 -0.08 -0.04 10.20 9.87 1iveB1 TRP 189 HA -0.17 0.15 0.84 -0.75 4.62 4.69 1iveB1 TRP 189 HB2 -0.02 -0.06 0.09 -0.04 3.23 3.21 1iveB1 TRP 189 HB3 -0.19 0.12 -0.21 -0.04 3.23 2.90 1iveB1 TRP 189 HD1 0.04 0.00 -0.04 -0.04 7.22 7.18 1iveB1 TRP 189 HE3 -0.07 0.16 -0.05 -0.04 7.59 7.59 1iveB1 TRP 189 HZ2 0.04 -0.04 -0.10 -0.04 7.44 7.30 1iveB1 TRP 189 HZ3 0.12 -0.00 -0.30 -0.04 7.13 6.90 1iveB1 TRP 189 HH2 0.42 -0.01 -0.38 -0.04 7.19 7.18 1iveB1 LEU 190 H 0.05 0.78 0.45 -0.55 8.37 9.11 1iveB1 LEU 190 HA 0.11 0.32 1.00 -0.75 4.35 5.03 1iveB1 LEU 190 HB2 0.26 -0.08 -0.03 -0.04 1.64 1.74 1iveB1 LEU 190 HB3 0.10 -0.05 0.10 -0.04 1.64 1.75 1iveB1 LEU 190 HG 0.14 0.06 -0.25 -0.04 1.64 1.55 1iveB1 LEU 190 HD13 0.26 0.06 -0.12 -0.04 0.93 1.09 1iveB1 LEU 190 HD23 0.13 -0.02 -0.21 -0.04 0.89 0.75 1iveB1 HIS 191 H 0.08 0.64 0.30 -0.55 8.41 8.89 1iveB1 HIS 191 HA 0.10 0.17 0.62 -0.75 4.63 4.77 1iveB1 HIS 191 HB2 0.01 -0.02 0.07 -0.04 3.26 3.28 1iveB1 HIS 191 HB3 0.00 0.00 -0.06 -0.04 3.20 3.11 1iveB1 HIS 191 HD2 0.05 0.02 -0.16 -0.04 6.97 6.83 1iveB1 HIS 191 HE1 -0.35 -0.03 -0.14 -0.04 7.75 7.19 1iveB1 VAL 192 H 0.05 0.61 0.21 -0.55 8.24 8.56 1iveB1 VAL 192 HA -0.32 0.32 1.03 -0.75 4.13 4.40 1iveB1 VAL 192 HB -0.39 0.05 0.01 -0.04 2.12 1.74 1iveB1 VAL 192 HG13 0.18 0.04 -0.16 -0.04 0.97 0.99 1iveB1 VAL 192 HG23 -0.02 -0.02 -0.10 -0.04 0.95 0.76 1iveB1 CYS 193 H -0.32 0.59 0.24 -0.55 8.50 8.46 1iveB1 CYS 193 HA -0.15 0.23 0.94 -0.75 4.58 4.85 1iveB1 CYS 193 HB2 -0.17 -0.05 0.10 -0.04 2.97 2.81 1iveB1 CYS 193 HB3 -0.16 0.17 -0.02 -0.04 2.97 2.92 1iveB1 ILE 194 H -0.29 0.30 0.25 -0.55 8.25 7.95 1iveB1 ILE 194 HA -0.40 0.33 1.13 -0.75 4.18 4.49 1iveB1 ILE 194 HB -0.49 -0.05 0.12 -0.04 1.89 1.43 1iveB1 ILE 194 HG12 -0.21 0.01 -0.38 -0.04 1.49 0.87 1iveB1 ILE 194 HG13 -0.20 -0.05 -0.51 -0.04 1.21 0.41 1iveB1 ILE 194 HG23 -0.43 0.02 -0.29 -0.04 0.93 0.19 1iveB1 ILE 194 HD13 -0.03 -0.02 -0.41 -0.04 0.88 0.38 1iveB1 THR 195 H -0.46 0.31 0.27 -0.55 8.28 7.84 1iveB1 THR 195 HA -1.75 0.17 0.60 -0.75 4.39 2.66 1iveB1 THR 195 HB -0.22 0.01 0.04 -0.04 4.32 4.10 1iveB1 THR 195 HG23 -0.33 0.00 -0.01 -0.04 1.22 0.84 1iveB1 GLY 196 H 0.08 0.27 0.11 -0.55 8.43 8.34 1iveB1 GLY 196 HA2 0.03 0.04 0.16 -0.51 4.01 3.73 1iveB1 GLY 196 HA3 0.01 0.21 0.95 -0.51 4.01 4.67 1iveB1 ASP 197 H 0.08 0.22 -0.01 -0.55 8.40 8.14 1iveB1 ASP 197 HA 0.10 0.12 0.61 -0.75 4.63 4.71 1iveB1 ASP 197 HB2 0.05 0.04 -0.02 -0.04 2.71 2.73 1iveB1 ASP 197 HB3 0.04 -0.06 0.00 -0.04 2.70 2.64 1iveB1 ASP 198 H 0.04 0.22 0.12 -0.55 8.40 8.23 1iveB1 ASP 198 HA 0.06 0.13 0.28 -0.75 4.63 4.34 1iveB1 ASP 198 HB2 -0.05 -0.01 0.18 -0.04 2.71 2.80 1iveB1 ASP 198 HB3 -0.09 0.01 0.12 -0.04 2.70 2.70 1iveB1 LYS 199 H 0.02 0.05 -0.18 -0.55 8.42 7.75 1iveB1 LYS 199 HA -0.00 0.27 0.23 -0.75 4.32 4.07 1iveB1 LYS 199 HB2 0.01 -0.02 -0.02 -0.04 1.87 1.79 1iveB1 LYS 199 HB3 0.00 0.12 0.12 -0.04 1.79 1.99 1iveB1 LYS 199 HG2 -0.01 -0.19 0.06 -0.04 1.46 1.28 1iveB1 LYS 199 HG3 -0.00 0.02 0.03 -0.04 1.46 1.47 1iveB1 LYS 199 HD2 -0.01 0.26 0.08 -0.04 1.69 1.98 1iveB1 LYS 199 HD3 -0.02 -0.06 -0.01 -0.04 1.68 1.55 1iveB1 LYS 199 HE2 -0.00 0.01 0.03 -0.04 2.99 2.98 1iveB1 LYS 199 HE3 -0.01 0.03 0.02 -0.04 2.99 2.99 1iveB1 ASN 200 H 0.04 0.04 -0.49 -0.55 8.53 7.58 1iveB1 ASN 200 HD21 0.02 -0.01 0.06 -0.04 7.03 7.06 1iveB1 ASN 200 HA 0.01 0.11 0.46 -0.75 4.76 4.58 1iveB1 ASN 200 HB2 0.02 0.03 -0.18 -0.04 2.88 2.71 1iveB1 ASN 200 HB3 0.02 -0.07 0.15 -0.04 2.79 2.85 1iveB1 ASN 200 HD22 0.02 -0.04 0.05 -0.04 7.74 7.73 1iveB1 ALA 201 H 0.07 0.15 -0.10 -0.55 8.40 7.98 1iveB1 ALA 201 HA 0.03 -0.04 0.53 -0.75 4.34 4.11 1iveB1 ALA 201 HB3 0.11 0.00 -0.10 -0.04 1.41 1.38 1iveB1 THR 202 H -0.15 0.68 0.35 -0.55 8.28 8.60 1iveB1 THR 202 HA -0.04 0.13 0.59 -0.75 4.39 4.31 1iveB1 THR 202 HB -0.02 0.04 0.16 -0.04 4.32 4.47 1iveB1 THR 202 HG23 -0.06 -0.01 0.00 -0.04 1.22 1.11 1iveB1 ALA 203 H -0.03 0.61 0.26 -0.55 8.40 8.70 1iveB1 ALA 203 HA -0.25 0.36 1.14 -0.75 4.34 4.84 1iveB1 ALA 203 HB3 -0.15 -0.03 -0.10 -0.04 1.41 1.09 1iveB1 SER 204 H -0.25 0.55 0.32 -0.55 8.46 8.53 1iveB1 SER 204 HA -0.04 0.14 0.80 -0.75 4.49 4.63 1iveB1 SER 204 HB2 -0.12 -0.03 0.08 -0.04 3.95 3.83 1iveB1 SER 204 HB3 -0.04 0.02 0.10 -0.04 3.93 3.97 1iveB1 PHE 205 H 0.16 0.78 0.37 -0.55 8.34 9.10 1iveB1 PHE 205 HA 0.05 0.22 1.11 -0.75 4.62 5.25 1iveB1 PHE 205 HB2 0.04 0.01 0.17 -0.04 3.15 3.32 1iveB1 PHE 205 HB3 0.05 -0.03 -0.02 -0.04 3.06 3.02 1iveB1 PHE 205 HD2 0.03 -0.00 -0.26 -0.04 7.28 7.01 1iveB1 PHE 205 HE2 0.04 -0.02 -0.18 -0.04 7.38 7.18 1iveB1 PHE 205 HZ 0.06 -0.02 -0.20 -0.04 7.32 7.12 1iveB1 ILE 206 H 0.09 0.55 0.27 -0.55 8.25 8.61 1iveB1 ILE 206 HA 0.14 0.22 0.96 -0.75 4.18 4.75 1iveB1 ILE 206 HB 0.16 -0.01 0.19 -0.04 1.89 2.19 1iveB1 ILE 206 HG12 0.03 0.03 -0.04 -0.04 1.49 1.47 1iveB1 ILE 206 HG13 0.02 -0.15 -0.25 -0.04 1.21 0.78 1iveB1 ILE 206 HG23 0.10 0.03 -0.17 -0.04 0.93 0.84 1iveB1 ILE 206 HD13 -0.03 0.02 0.00 -0.04 0.88 0.83 1iveB1 TYR 207 H 0.22 0.66 0.20 -0.55 8.29 8.82 1iveB1 TYR 207 HA 0.10 0.28 0.80 -0.75 4.56 4.99 1iveB1 TYR 207 HB2 0.08 -0.07 -0.21 -0.04 3.06 2.82 1iveB1 TYR 207 HB3 0.07 0.13 -0.11 -0.04 2.98 3.04 1iveB1 TYR 207 HD2 0.04 0.06 -0.27 -0.04 7.15 6.94 1iveB1 TYR 207 HE2 0.01 0.00 -0.13 -0.04 6.85 6.69 1iveB1 ASP 208 H -0.21 0.46 0.13 -0.55 8.40 8.23 1iveB1 ASP 208 HA -0.13 -0.04 0.35 -0.75 4.63 4.06 1iveB1 ASP 208 HB2 -0.62 -0.10 -0.11 -0.04 2.71 1.84 1iveB1 ASP 208 HB3 -0.02 0.22 0.31 -0.04 2.70 3.17 1iveB1 GLY 209 H 0.05 0.09 -0.22 -0.55 8.43 7.80 1iveB1 GLY 209 HA2 0.02 0.01 0.29 -0.51 4.01 3.82 1iveB1 GLY 209 HA3 0.02 0.18 0.71 -0.51 4.01 4.41 1iveB1 ARG 210 H 0.07 0.32 -0.52 -0.55 8.46 7.77 1iveB1 ARG 210 HA 0.04 0.04 0.27 -0.75 4.34 3.94 1iveB1 ARG 210 HB2 0.08 0.11 -0.10 -0.04 1.90 1.95 1iveB1 ARG 210 HB3 0.05 -0.02 0.07 -0.04 1.80 1.86 1iveB1 ARG 210 HG2 0.09 0.09 0.04 -0.04 1.67 1.85 1iveB1 ARG 210 HG3 0.09 0.02 0.02 -0.04 1.67 1.76 1iveB1 ARG 210 HD2 0.05 -0.01 0.04 -0.04 3.22 3.26 1iveB1 ARG 210 HD3 0.04 -0.02 0.02 -0.04 3.22 3.22 1iveB1 LEU 211 H 0.05 0.13 0.16 -0.55 8.37 8.15 1iveB1 LEU 211 HA 0.08 0.09 0.64 -0.75 4.35 4.41 1iveB1 LEU 211 HB2 0.03 0.01 0.16 -0.04 1.64 1.80 1iveB1 LEU 211 HB3 0.04 0.00 0.15 -0.04 1.64 1.79 1iveB1 LEU 211 HG 0.04 -0.01 -0.00 -0.04 1.64 1.63 1iveB1 LEU 211 HD13 0.00 -0.01 0.01 -0.04 0.93 0.89 1iveB1 LEU 211 HD23 0.06 0.00 -0.19 -0.04 0.89 0.72 1iveB1 VAL 212 H 0.13 0.67 0.26 -0.55 8.24 8.75 1iveB1 VAL 212 HA 0.07 0.15 0.87 -0.75 4.13 4.46 1iveB1 VAL 212 HB 0.10 0.07 0.06 -0.04 2.12 2.31 1iveB1 VAL 212 HG13 0.03 0.05 -0.04 -0.04 0.97 0.97 1iveB1 VAL 212 HG23 0.15 0.02 -0.07 -0.04 0.95 1.01 1iveB1 ASP 213 H 0.15 0.21 0.25 -0.55 8.40 8.46 1iveB1 ASP 213 HA 0.08 0.10 0.70 -0.75 4.63 4.76 1iveB1 ASP 213 HB2 0.03 0.27 -0.20 -0.04 2.71 2.77 1iveB1 ASP 213 HB3 0.07 -0.08 0.03 -0.04 2.70 2.68 1iveB1 SER 214 H 0.11 0.25 0.24 -0.55 8.46 8.52 1iveB1 SER 214 HA 0.40 0.22 0.32 -0.75 4.49 4.67 1iveB1 SER 214 HB2 0.07 0.01 0.06 -0.04 3.95 4.05 1iveB1 SER 214 HB3 0.08 0.04 0.11 -0.04 3.93 4.13 1iveB1 ILE 215 H 0.20 0.49 0.28 -0.55 8.25 8.67 1iveB1 ILE 215 HA 0.13 0.12 0.62 -0.75 4.18 4.29 1iveB1 ILE 215 HB 0.24 0.01 -0.15 -0.04 1.89 1.95 1iveB1 ILE 215 HG12 0.34 0.14 0.03 -0.04 1.49 1.96 1iveB1 ILE 215 HG13 0.17 -0.06 0.18 -0.04 1.21 1.46 1iveB1 ILE 215 HG23 0.30 0.01 -0.15 -0.04 0.93 1.05 1iveB1 ILE 215 HD13 0.14 -0.00 -0.02 -0.04 0.88 0.96 1iveB1 GLY 216 H 0.12 0.16 0.12 -0.55 8.43 8.28 1iveB1 GLY 216 HA2 0.03 0.25 0.95 -0.51 4.01 4.73 1iveB1 GLY 216 HA3 0.06 0.07 0.35 -0.51 4.01 3.98 1iveB1 SER 217 H -0.01 0.40 0.07 -0.55 8.46 8.37 1iveB1 SER 217 HA -0.28 -0.01 0.38 -0.75 4.49 3.82 1iveB1 SER 217 HB2 -0.06 0.08 -0.02 -0.04 3.95 3.91 1iveB1 SER 217 HB3 -0.03 0.10 0.15 -0.04 3.93 4.11 1iveB1 TRP 218 H -0.35 0.20 0.19 -0.55 7.97 7.46 1iveB1 TRP 218 HE1 0.02 0.39 0.12 -0.04 10.20 10.69 1iveB1 TRP 218 HA 0.02 0.18 0.40 -0.75 4.62 4.47 1iveB1 TRP 218 HB2 0.02 0.04 0.03 -0.04 3.23 3.28 1iveB1 TRP 218 HB3 0.02 0.05 0.05 -0.04 3.23 3.32 1iveB1 TRP 218 HD1 0.02 0.02 -0.20 -0.04 7.22 7.02 1iveB1 TRP 218 HE3 0.04 0.09 0.02 -0.04 7.59 7.70 1iveB1 TRP 218 HZ2 0.03 0.13 -0.03 -0.04 7.44 7.53 1iveB1 TRP 218 HZ3 0.06 -0.01 -0.10 -0.04 7.13 7.05 1iveB1 TRP 218 HH2 0.06 -0.02 -0.14 -0.04 7.19 7.05 1iveB1 SER 219 H -0.19 -0.00 -0.13 -0.55 8.46 7.59 1iveB1 SER 219 HA 0.14 0.33 0.94 -0.75 4.49 5.15 1iveB1 SER 219 HB2 -0.02 -0.13 -0.26 -0.04 3.95 3.50 1iveB1 SER 219 HB3 0.07 0.04 0.00 -0.04 3.93 4.00 1iveB1 GLN 220 H -0.02 0.10 -0.38 -0.55 8.47 7.62 1iveB1 GLN 220 HE21 0.08 0.03 -0.06 -0.04 6.97 6.98 1iveB1 GLN 220 HE22 0.04 -0.02 0.01 -0.04 7.69 7.69 1iveB1 GLN 220 HA -0.02 0.22 0.34 -0.75 4.36 4.15 1iveB1 GLN 220 HB2 0.02 0.13 -0.38 -0.04 2.15 1.88 1iveB1 GLN 220 HB3 0.01 -0.06 0.23 -0.04 2.02 2.16 1iveB1 GLN 220 HG2 0.02 -0.06 -0.04 -0.04 2.40 2.28 1iveB1 GLN 220 HG3 0.02 0.11 0.08 -0.04 2.39 2.56 1iveB1 ASN 221 H -0.07 -0.08 -0.72 -0.55 8.53 7.12 1iveB1 ASN 221 HD21 -0.04 -0.09 -0.09 -0.04 7.03 6.77 1iveB1 ASN 221 HD22 -0.03 0.02 -0.37 -0.04 7.74 7.32 1iveB1 ASN 221 HA -0.03 0.09 0.31 -0.75 4.76 4.38 1iveB1 ASN 221 HB2 -0.02 0.13 -0.20 -0.04 2.88 2.75 1iveB1 ASN 221 HB3 -0.03 -0.07 -0.05 -0.04 2.79 2.59 1iveB1 ILE 222 H -0.05 0.09 0.00 -0.55 8.25 7.75 1iveB1 ILE 222 HA 0.02 0.05 0.30 -0.75 4.18 3.79 1iveB1 ILE 222 HB -0.07 0.05 0.22 -0.04 1.89 2.04 1iveB1 ILE 222 HG12 -0.18 -0.06 0.11 -0.04 1.49 1.32 1iveB1 ILE 222 HG13 -0.08 -0.06 0.10 -0.04 1.21 1.13 1iveB1 ILE 222 HG23 -0.22 0.01 -0.11 -0.04 0.93 0.58 1iveB1 ILE 222 HD13 -0.14 0.00 0.03 -0.04 0.88 0.74 1iveB1 LEU 223 H 0.02 0.05 -0.11 -0.55 8.37 7.78 1iveB1 LEU 223 HA -0.22 0.15 0.52 -0.75 4.35 4.04 1iveB1 LEU 223 HB2 -0.26 -0.14 -0.00 -0.04 1.64 1.20 1iveB1 LEU 223 HB3 -0.04 -0.02 -0.05 -0.04 1.64 1.49 1iveB1 LEU 223 HG -0.17 0.05 -0.32 -0.04 1.64 1.16 1iveB1 LEU 223 HD13 -0.83 -0.01 -0.15 -0.04 0.93 -0.10 1iveB1 LEU 223 HD23 -0.18 -0.03 -0.40 -0.04 0.89 0.24 1iveB1 ARG 224 H -0.06 0.54 0.35 -0.55 8.46 8.74 1iveB1 ARG 224 HA 0.16 0.07 0.68 -0.75 4.34 4.50 1iveB1 ARG 224 HB2 0.09 -0.02 0.12 -0.04 1.90 2.05 1iveB1 ARG 224 HB3 0.11 0.08 -0.12 -0.04 1.80 1.83 1iveB1 ARG 224 HG2 -0.00 0.36 0.21 -0.04 1.67 2.20 1iveB1 ARG 224 HG3 0.03 -0.15 0.01 -0.04 1.67 1.51 1iveB1 ARG 224 HD2 0.03 -0.07 -0.02 -0.04 3.22 3.12 1iveB1 ARG 224 HD3 -0.00 0.20 0.01 -0.04 3.22 3.39 1iveB1 THR 225 H 0.10 0.15 0.12 -0.55 8.28 8.10 1iveB1 THR 225 HA 0.05 0.21 0.67 -0.75 4.39 4.56 1iveB1 THR 225 HB 0.04 0.02 -0.28 -0.04 4.32 4.06 1iveB1 THR 225 HG23 0.01 0.03 -0.23 -0.04 1.22 0.99 1iveB1 GLN 226 H 0.01 0.13 0.19 -0.55 8.47 8.27 1iveB1 GLN 226 HE21 -0.03 0.10 -0.02 -0.04 6.97 6.98 1iveB1 GLN 226 HE22 -0.01 -0.54 0.10 -0.04 7.69 7.20 1iveB1 GLN 226 HA 0.02 -0.09 0.24 -0.75 4.36 3.78 1iveB1 GLN 226 HB2 -0.07 -0.00 0.26 -0.04 2.15 2.30 1iveB1 GLN 226 HB3 -0.02 0.30 0.10 -0.04 2.02 2.36 1iveB1 GLN 226 HG2 0.01 -0.03 0.13 -0.04 2.40 2.48 1iveB1 GLN 226 HG3 0.00 -0.05 0.21 -0.04 2.39 2.50 1iveB1 GLU 227 H -0.04 0.33 0.11 -0.55 8.60 8.45 1iveB1 GLU 227 HA -0.01 -0.04 0.29 -0.75 4.29 3.77 1iveB1 GLU 227 HB2 0.15 0.26 0.07 -0.04 2.09 2.53 1iveB1 GLU 227 HB3 0.24 -0.01 0.38 -0.04 1.99 2.57 1iveB1 GLU 227 HG2 0.25 -0.03 0.14 -0.04 2.34 2.66 1iveB1 GLU 227 HG3 0.17 0.02 0.13 -0.04 2.34 2.62 1iveB1 SER 228 H -0.31 0.12 0.08 -0.55 8.46 7.80 1iveB1 SER 228 HA -0.64 0.06 0.48 -0.75 4.49 3.64 1iveB1 SER 228 HB2 0.18 -0.05 0.25 -0.04 3.95 4.28 1iveB1 SER 228 HB3 0.10 0.20 -0.37 -0.04 3.93 3.81 1iveB1 GLU 229 H -0.02 0.22 0.25 -0.55 8.60 8.50 1iveB1 GLU 229 HA -0.03 0.08 0.79 -0.75 4.29 4.38 1iveB1 GLU 229 HB2 0.16 -0.01 0.34 -0.04 2.09 2.54 1iveB1 GLU 229 HB3 0.12 0.07 0.34 -0.04 1.99 2.48 1iveB1 GLU 229 HG2 0.08 0.23 -0.04 -0.04 2.34 2.57 1iveB1 GLU 229 HG3 0.14 -0.04 0.27 -0.04 2.34 2.68 1iveB1 CYS 230 H 0.00 0.15 0.17 -0.55 8.50 8.28 1iveB1 CYS 230 HA -0.01 0.15 0.77 -0.75 4.58 4.74 1iveB1 CYS 230 HB2 0.01 0.11 0.16 -0.04 2.97 3.21 1iveB1 CYS 230 HB3 0.00 -0.02 0.16 -0.04 2.97 3.06 1iveB1 VAL 231 H -0.02 0.35 0.15 -0.55 8.24 8.17 1iveB1 VAL 231 HA 0.08 0.06 0.46 -0.75 4.13 3.98 1iveB1 VAL 231 HB -0.15 0.05 0.05 -0.04 2.12 2.03 1iveB1 VAL 231 HG13 -0.08 0.02 -0.47 -0.04 0.97 0.40 1iveB1 VAL 231 HG23 -0.13 0.01 -0.28 -0.04 0.95 0.50 1iveB1 CYS 232 H 0.23 0.25 0.05 -0.55 8.50 8.49 1iveB1 CYS 232 HA 0.04 0.40 0.84 -0.75 4.58 5.10 1iveB1 CYS 232 HB2 0.13 0.01 -0.03 -0.04 2.97 3.04 1iveB1 CYS 232 HB3 0.03 -0.01 -0.25 -0.04 2.97 2.70 1iveB1 ILE 233 H 0.05 0.59 0.11 -0.55 8.25 8.46 1iveB1 ILE 233 HA 0.24 0.32 0.79 -0.75 4.18 4.77 1iveB1 ILE 233 HB 0.07 0.01 0.09 -0.04 1.89 2.01 1iveB1 ILE 233 HG12 0.34 0.03 -0.20 -0.04 1.49 1.62 1iveB1 ILE 233 HG13 0.14 -0.15 -0.59 -0.04 1.21 0.57 1iveB1 ILE 233 HG23 0.24 0.00 -0.05 -0.04 0.93 1.08 1iveB1 ILE 233 HD13 0.02 0.00 -0.28 -0.04 0.88 0.58 1iveB1 ASN 234 H 0.07 0.64 -0.02 -0.55 8.53 8.67 1iveB1 ASN 234 HD21 0.03 0.00 -0.08 -0.04 7.03 6.94 1iveB1 ASN 234 HA 0.00 0.02 0.12 -0.75 4.76 4.15 1iveB1 ASN 234 HB2 -0.02 0.26 -0.02 -0.04 2.88 3.05 1iveB1 ASN 234 HB3 -0.02 -0.01 0.15 -0.04 2.79 2.87 1iveB1 ASN 234 HD22 0.03 0.00 -0.06 -0.04 7.74 7.67 1iveB1 GLY 235 H -0.24 0.12 -0.30 -0.55 8.43 7.46 1iveB1 GLY 235 HA2 -0.63 -0.08 0.26 -0.51 4.01 3.06 1iveB1 GLY 235 HA3 -1.10 0.21 0.81 -0.51 4.01 3.42 1iveB1 THR 236 H -0.12 0.35 -0.29 -0.55 8.28 7.67 1iveB1 THR 236 HA -0.05 0.21 0.90 -0.75 4.39 4.69 1iveB1 THR 236 HB 0.01 0.03 0.14 -0.04 4.32 4.46 1iveB1 THR 236 HG23 0.16 0.06 -0.11 -0.04 1.22 1.29 1iveB1 CYS 237 H -0.03 0.56 0.18 -0.55 8.50 8.65 1iveB1 CYS 237 HA -0.01 0.26 0.96 -0.75 4.58 5.03 1iveB1 CYS 237 HB2 -0.00 0.00 -0.03 -0.04 2.97 2.90 1iveB1 CYS 237 HB3 0.01 -0.02 -0.04 -0.04 2.97 2.88 1iveB1 THR 238 H -0.06 0.30 0.15 -0.55 8.28 8.13 1iveB1 THR 238 HA -0.32 0.41 0.74 -0.75 4.39 4.47 1iveB1 THR 238 HB -0.18 0.06 -0.09 -0.04 4.32 4.07 1iveB1 THR 238 HG23 -0.14 -0.06 -0.16 -0.04 1.22 0.82 1iveB1 VAL 239 H -0.11 0.43 0.15 -0.55 8.24 8.16 1iveB1 VAL 239 HA -0.02 0.13 0.22 -0.75 4.13 3.70 1iveB1 VAL 239 HB 0.07 -0.00 0.04 -0.04 2.12 2.19 1iveB1 VAL 239 HG13 0.14 -0.00 -0.16 -0.04 0.97 0.90 1iveB1 VAL 239 HG23 0.06 0.04 -0.04 -0.04 0.95 0.97 1iveB1 VAL 240 H 0.01 0.18 0.10 -0.55 8.24 7.98 1iveB1 VAL 240 HA 0.04 0.24 1.00 -0.75 4.13 4.66 1iveB1 VAL 240 HB 0.03 0.13 0.08 -0.04 2.12 2.32 1iveB1 VAL 240 HG13 -0.04 -0.00 -0.21 -0.04 0.97 0.69 1iveB1 VAL 240 HG23 0.02 -0.01 -0.09 -0.04 0.95 0.83 1iveB1 MET 241 H 0.16 0.63 0.29 -0.55 8.47 9.01 1iveB1 MET 241 HA 0.11 0.20 0.93 -0.75 4.52 5.00 1iveB1 MET 241 HB2 0.40 -0.06 -0.16 -0.04 2.15 2.29 1iveB1 MET 241 HB3 0.11 0.15 0.05 -0.04 2.03 2.30 1iveB1 MET 241 HG2 0.16 0.00 -0.51 -0.04 2.63 2.24 1iveB1 MET 241 HG3 0.26 -0.01 -0.27 -0.04 2.56 2.50 1iveB1 MET 241 HE3 0.02 0.01 -0.27 -0.04 2.10 1.82 1iveB1 THR 242 H 0.06 0.66 0.25 -0.55 8.28 8.71 1iveB1 THR 242 HA 0.28 0.23 1.03 -0.75 4.39 5.17 1iveB1 THR 242 HB 0.06 0.03 -0.21 -0.04 4.32 4.16 1iveB1 THR 242 HG23 0.02 0.02 -0.17 -0.04 1.22 1.05 1iveB1 ASP 243 H 0.24 0.69 0.33 -0.55 8.40 9.11 1iveB1 ASP 243 HA -0.19 0.29 0.44 -0.75 4.63 4.42 1iveB1 ASP 243 HB2 -1.46 -0.02 0.08 -0.04 2.71 1.27 1iveB1 ASP 243 HB3 -0.58 0.03 0.10 -0.04 2.70 2.21 1iveB1 GLY 244 H -0.06 0.85 0.14 -0.55 8.43 8.82 1iveB1 GLY 244 HA2 0.00 0.04 0.24 -0.51 4.01 3.78 1iveB1 GLY 244 HA3 0.03 0.01 1.02 -0.51 4.01 4.55 1iveB1 SER 245 H -0.03 0.26 0.12 -0.55 8.46 8.27 1iveB1 SER 245 HA -0.04 0.08 0.69 -0.75 4.49 4.46 1iveB1 SER 245 HB2 -0.09 0.00 -0.02 -0.04 3.95 3.80 1iveB1 SER 245 HB3 -0.16 0.18 -0.21 -0.04 3.93 3.70 1iveB1 ALA 246 H -0.01 0.14 0.04 -0.55 8.40 8.01 1iveB1 ALA 246 HA 0.23 0.12 0.54 -0.75 4.34 4.47 1iveB1 ALA 246 HB3 0.04 0.01 0.06 -0.04 1.41 1.48 1iveB1 SER 247 H -0.09 0.04 -0.11 -0.55 8.46 7.76 1iveB1 SER 247 HA -0.23 0.25 0.57 -0.75 4.49 4.33 1iveB1 SER 247 HB2 -0.02 0.02 0.18 -0.04 3.95 4.09 1iveB1 SER 247 HB3 -0.02 0.06 0.06 -0.04 3.93 3.99 1iveB1 GLY 248 H -0.67 0.54 -0.50 -0.55 8.43 7.25 1iveB1 GLY 248 HA2 -1.90 0.01 0.13 -0.51 4.01 1.74 1iveB1 GLY 248 HA3 -0.62 0.08 0.53 -0.51 4.01 3.49 1iveB1 ARG 249 H -0.89 0.07 0.12 -0.55 8.46 7.21 1iveB1 ARG 249 HA -0.21 0.15 0.71 -0.75 4.34 4.24 1iveB1 ARG 249 HB2 -0.07 -0.03 0.05 -0.04 1.90 1.82 1iveB1 ARG 249 HB3 0.03 0.08 0.11 -0.04 1.80 1.98 1iveB1 ARG 249 HG2 0.32 0.06 0.09 -0.04 1.67 2.09 1iveB1 ARG 249 HG3 -0.15 -0.09 0.15 -0.04 1.67 1.54 1iveB1 ARG 249 HD2 0.14 -0.02 0.04 -0.04 3.22 3.34 1iveB1 ARG 249 HD3 0.05 -0.00 0.03 -0.04 3.22 3.26 1iveB1 ALA 250 H 0.04 0.25 0.26 -0.55 8.40 8.40 1iveB1 ALA 250 HA 0.02 0.04 0.78 -0.75 4.34 4.42 1iveB1 ALA 250 HB3 0.01 0.07 -0.16 -0.04 1.41 1.28 1iveB1 ASP 251 H 0.13 0.60 0.26 -0.55 8.40 8.83 1iveB1 ASP 251 HA 0.13 0.11 0.56 -0.75 4.63 4.67 1iveB1 ASP 251 HB2 0.21 -0.04 -0.01 -0.04 2.71 2.83 1iveB1 ASP 251 HB3 0.58 -0.01 0.23 -0.04 2.70 3.46 1iveB1 THR 252 H 0.10 0.24 0.27 -0.55 8.28 8.34 1iveB1 THR 252 HA 0.24 0.24 0.76 -0.75 4.39 4.87 1iveB1 THR 252 HB 0.05 -0.01 0.15 -0.04 4.32 4.47 1iveB1 THR 252 HG23 0.05 0.00 -0.19 -0.04 1.22 1.05 1iveB1 ARG 253 H 0.25 0.55 0.43 -0.55 8.46 9.13 1iveB1 ARG 253 HA -0.02 0.17 1.14 -0.75 4.34 4.87 1iveB1 ARG 253 HB2 -0.21 -0.06 -0.01 -0.04 1.90 1.58 1iveB1 ARG 253 HB3 -0.23 0.11 0.08 -0.04 1.80 1.73 1iveB1 ARG 253 HG2 -0.32 -0.13 -0.39 -0.04 1.67 0.78 1iveB1 ARG 253 HG3 -1.48 -0.02 -0.05 -0.04 1.67 0.08 1iveB1 ARG 253 HD2 -0.90 -0.01 -0.10 -0.04 3.22 2.17 1iveB1 ARG 253 HD3 -0.48 0.04 -0.14 -0.04 3.22 2.60 1iveB1 ILE 254 H 0.04 0.78 0.35 -0.55 8.25 8.88 1iveB1 ILE 254 HA 0.03 0.14 1.13 -0.75 4.18 4.73 1iveB1 ILE 254 HB 0.18 0.01 0.04 -0.04 1.89 2.08 1iveB1 ILE 254 HG12 0.02 -0.01 -0.17 -0.04 1.49 1.29 1iveB1 ILE 254 HG13 0.03 0.05 -0.18 -0.04 1.21 1.07 1iveB1 ILE 254 HG23 -0.20 0.01 -0.22 -0.04 0.93 0.48 1iveB1 ILE 254 HD13 0.05 -0.03 -0.39 -0.04 0.88 0.47 1iveB1 LEU 255 H -0.03 0.57 0.29 -0.55 8.37 8.65 1iveB1 LEU 255 HA 0.14 0.21 0.74 -0.75 4.35 4.69 1iveB1 LEU 255 HB2 0.02 -0.05 0.06 -0.04 1.64 1.63 1iveB1 LEU 255 HB3 -0.04 0.00 -0.08 -0.04 1.64 1.48 1iveB1 LEU 255 HG 0.13 -0.02 -0.13 -0.04 1.64 1.58 1iveB1 LEU 255 HD13 0.02 0.01 -0.07 -0.04 0.93 0.85 1iveB1 LEU 255 HD23 0.17 -0.03 -0.26 -0.04 0.89 0.74 1iveB1 PHE 256 H 0.35 0.70 0.35 -0.55 8.34 9.19 1iveB1 PHE 256 HA 0.03 0.34 0.88 -0.75 4.62 5.11 1iveB1 PHE 256 HB2 0.09 -0.06 0.08 -0.04 3.15 3.22 1iveB1 PHE 256 HB3 0.18 0.03 -0.03 -0.04 3.06 3.20 1iveB1 PHE 256 HD2 0.07 0.05 -0.13 -0.04 7.28 7.23 1iveB1 PHE 256 HE2 -0.03 0.03 -0.17 -0.04 7.38 7.17 1iveB1 PHE 256 HZ 0.00 0.00 -0.17 -0.04 7.32 7.12 1iveB1 ILE 257 H 0.02 0.46 0.03 -0.55 8.25 8.21 1iveB1 ILE 257 HA -0.04 0.26 0.93 -0.75 4.18 4.58 1iveB1 ILE 257 HB -0.18 0.03 -0.48 -0.04 1.89 1.21 1iveB1 ILE 257 HG12 -0.04 -0.11 -0.36 -0.04 1.49 0.94 1iveB1 ILE 257 HG13 -0.10 0.05 -0.56 -0.04 1.21 0.56 1iveB1 ILE 257 HG23 -0.05 -0.02 -0.43 -0.04 0.93 0.40 1iveB1 ILE 257 HD13 -0.04 0.01 -0.34 -0.04 0.88 0.47 1iveB1 GLU 258 H -0.06 0.74 0.21 -0.55 8.60 8.94 1iveB1 GLU 258 HA -0.12 0.22 1.01 -0.75 4.29 4.64 1iveB1 GLU 258 HB2 -0.05 0.01 0.13 -0.04 2.09 2.15 1iveB1 GLU 258 HB3 -0.07 0.08 0.12 -0.04 1.99 2.07 1iveB1 GLU 258 HG2 -0.01 0.03 -0.10 -0.04 2.34 2.22 1iveB1 GLU 258 HG3 0.02 -0.04 -0.14 -0.04 2.34 2.14 1iveB1 GLU 259 H -0.29 0.24 0.09 -0.55 8.60 8.09 1iveB1 GLU 259 HA -1.43 -0.02 0.20 -0.75 4.29 2.28 1iveB1 GLU 259 HB2 -0.14 0.11 -0.14 -0.04 2.09 1.88 1iveB1 GLU 259 HB3 -0.19 0.05 0.22 -0.04 1.99 2.03 1iveB1 GLU 259 HG2 -0.02 -0.02 0.02 -0.04 2.34 2.28 1iveB1 GLU 259 HG3 -0.10 -0.02 0.04 -0.04 2.34 2.21 1iveB1 GLY 260 H -0.32 0.04 -0.46 -0.55 8.43 7.14 1iveB1 GLY 260 HA2 0.06 -0.05 0.08 -0.51 4.01 3.59 1iveB1 GLY 260 HA3 0.04 0.18 0.55 -0.51 4.01 4.27 1iveB1 LYS 261 H -0.11 0.48 -0.57 -0.55 8.42 7.67 1iveB1 LYS 261 HA -0.06 0.13 0.80 -0.75 4.32 4.43 1iveB1 LYS 261 HB2 -0.05 0.13 0.06 -0.04 1.87 1.97 1iveB1 LYS 261 HB3 -0.05 -0.01 -0.13 -0.04 1.79 1.56 1iveB1 LYS 261 HG2 -0.02 0.08 -0.00 -0.04 1.46 1.48 1iveB1 LYS 261 HG3 -0.02 -0.01 -0.01 -0.04 1.46 1.38 1iveB1 LYS 261 HD2 -0.03 -0.00 -0.05 -0.04 1.69 1.57 1iveB1 LYS 261 HD3 -0.04 0.03 -0.00 -0.04 1.68 1.62 1iveB1 LYS 261 HE2 -0.01 -0.04 0.02 -0.04 2.99 2.92 1iveB1 LYS 261 HE3 -0.02 -0.03 0.03 -0.04 2.99 2.94 1iveB1 ILE 262 H -0.17 0.17 -0.00 -0.55 8.25 7.70 1iveB1 ILE 262 HA -0.13 0.07 0.53 -0.75 4.18 3.90 1iveB1 ILE 262 HB -0.12 0.03 0.11 -0.04 1.89 1.87 1iveB1 ILE 262 HG12 -0.59 -0.03 -0.12 -0.04 1.49 0.71 1iveB1 ILE 262 HG13 -0.35 -0.00 0.02 -0.04 1.21 0.83 1iveB1 ILE 262 HG23 -0.09 -0.01 -0.10 -0.04 0.93 0.69 1iveB1 ILE 262 HD13 -0.28 0.01 -0.11 -0.04 0.88 0.46 1iveB1 VAL 263 H -0.01 0.61 0.51 -0.55 8.24 8.81 1iveB1 VAL 263 HA -0.05 0.20 0.93 -0.75 4.13 4.46 1iveB1 VAL 263 HB 0.01 -0.02 0.13 -0.04 2.12 2.19 1iveB1 VAL 263 HG13 -0.02 0.04 -0.05 -0.04 0.97 0.90 1iveB1 VAL 263 HG23 0.09 0.00 -0.20 -0.04 0.95 0.81 1iveB1 HIS 264 H 0.04 0.24 0.17 -0.55 8.41 8.32 1iveB1 HIS 264 HA -0.23 0.04 0.30 -0.75 4.63 3.99 1iveB1 HIS 264 HB2 -0.62 0.16 -0.15 -0.04 3.26 2.61 1iveB1 HIS 264 HB3 -0.46 -0.08 -0.04 -0.04 3.20 2.58 1iveB1 HIS 264 HD2 -1.20 -0.00 0.00 -0.04 6.97 5.73 1iveB1 HIS 264 HE1 -0.24 0.01 0.05 -0.04 7.75 7.53 1iveB1 ILE 265 H -0.18 0.19 0.10 -0.55 8.25 7.81 1iveB1 ILE 265 HA 0.18 0.23 0.67 -0.75 4.18 4.51 1iveB1 ILE 265 HB -0.11 -0.00 0.08 -0.04 1.89 1.82 1iveB1 ILE 265 HG12 -0.00 0.05 -0.10 -0.04 1.49 1.40 1iveB1 ILE 265 HG13 -0.07 -0.05 -0.23 -0.04 1.21 0.82 1iveB1 ILE 265 HG23 -0.14 0.00 -0.10 -0.04 0.93 0.65 1iveB1 ILE 265 HD13 -0.07 -0.00 -0.07 -0.04 0.88 0.70 1iveB1 SER 266 H 0.20 0.56 0.24 -0.55 8.46 8.91 1iveB1 SER 266 HA 0.05 0.17 0.49 -0.75 4.49 4.45 1iveB1 SER 266 HB2 0.20 -0.06 0.12 -0.04 3.95 4.17 1iveB1 SER 266 HB3 0.05 0.08 0.15 -0.04 3.93 4.17 1iveB1 PRO 267 HA -0.04 0.13 0.99 -0.51 4.44 5.00 1iveB1 PRO 267 HB2 -0.03 0.14 0.03 -0.04 2.28 2.38 1iveB1 PRO 267 HB3 -0.09 -0.03 0.07 -0.04 2.02 1.93 1iveB1 PRO 267 HG2 -0.01 0.06 0.00 -0.04 2.03 2.04 1iveB1 PRO 267 HG3 -0.04 0.01 0.03 -0.04 2.03 1.99 1iveB1 PRO 267 HD2 0.00 0.11 0.21 -0.04 3.68 3.96 1iveB1 PRO 267 HD3 -0.04 0.12 -0.03 -0.04 3.65 3.65 1iveB1 LEU 268 H 0.01 0.54 0.29 -0.55 8.37 8.66 1iveB1 LEU 268 HA 0.03 -0.05 0.42 -0.75 4.35 4.00 1iveB1 LEU 268 HB2 0.03 0.06 0.13 -0.04 1.64 1.82 1iveB1 LEU 268 HB3 0.04 -0.03 0.14 -0.04 1.64 1.75 1iveB1 LEU 268 HG 0.04 0.21 -0.09 -0.04 1.64 1.76 1iveB1 LEU 268 HD13 0.02 -0.04 -0.04 -0.04 0.93 0.84 1iveB1 LEU 268 HD23 0.04 -0.02 -0.03 -0.04 0.89 0.84 1iveB1 ALA 269 H 0.03 0.05 0.05 -0.55 8.40 7.98 1iveB1 ALA 269 HA 0.03 0.22 0.50 -0.75 4.34 4.34 1iveB1 ALA 269 HB3 0.02 0.01 0.16 -0.04 1.41 1.56 1iveB1 GLY 270 H 0.03 0.11 0.17 -0.55 8.43 8.19 1iveB1 GLY 270 HA2 0.03 0.05 0.46 -0.51 4.01 4.04 1iveB1 GLY 270 HA3 0.03 -0.29 0.63 -0.51 4.01 3.88 1iveB1 SER 271 H 0.05 0.75 0.35 -0.55 8.46 9.07 1iveB1 SER 271 HA 0.07 0.21 0.56 -0.75 4.49 4.58 1iveB1 SER 271 HB2 0.07 0.03 0.21 -0.04 3.95 4.22 1iveB1 SER 271 HB3 0.04 -0.09 0.05 -0.04 3.93 3.90 1iveB1 ALA 272 H 0.07 0.19 -0.22 -0.55 8.40 7.90 1iveB1 ALA 272 HA 0.24 0.07 0.07 -0.75 4.34 3.97 1iveB1 ALA 272 HB3 -0.06 0.03 -0.02 -0.04 1.41 1.31 1iveB1 GLN 273 H 0.33 0.27 0.25 -0.55 8.47 8.77 1iveB1 GLN 273 HE21 0.11 -0.03 -0.06 -0.04 6.97 6.95 1iveB1 GLN 273 HE22 0.12 0.15 -0.11 -0.04 7.69 7.81 1iveB1 GLN 273 HA 0.25 0.07 0.20 -0.75 4.36 4.13 1iveB1 GLN 273 HB2 0.27 -0.05 0.05 -0.04 2.15 2.38 1iveB1 GLN 273 HB3 0.24 -0.06 0.04 -0.04 2.02 2.20 1iveB1 GLN 273 HG2 0.11 0.13 0.17 -0.04 2.40 2.78 1iveB1 GLN 273 HG3 -0.07 -0.05 0.07 -0.04 2.39 2.30 1iveB1 HIS 274 H 0.21 0.12 -0.61 -0.55 8.41 7.58 1iveB1 HIS 274 HA 0.14 0.05 0.35 -0.75 4.63 4.42 1iveB1 HIS 274 HB2 0.42 0.15 -0.06 -0.04 3.26 3.73 1iveB1 HIS 274 HB3 0.22 -0.15 0.09 -0.04 3.20 3.31 1iveB1 HIS 274 HD2 0.01 0.06 0.18 -0.04 6.97 7.18 1iveB1 HIS 274 HE1 0.02 -0.13 0.12 -0.04 7.75 7.71 1iveB1 VAL 275 H -0.24 0.16 -0.05 -0.55 8.24 7.56 1iveB1 VAL 275 HA -0.03 0.21 0.73 -0.75 4.13 4.29 1iveB1 VAL 275 HB -0.03 -0.02 0.03 -0.04 2.12 2.07 1iveB1 VAL 275 HG13 -0.02 -0.01 -0.12 -0.04 0.97 0.78 1iveB1 VAL 275 HG23 -0.02 0.01 -0.30 -0.04 0.95 0.60 1iveB1 GLU 276 H -0.03 0.68 0.17 -0.55 8.60 8.88 1iveB1 GLU 276 HA -0.03 0.08 0.69 -0.75 4.29 4.28 1iveB1 GLU 276 HB2 0.07 0.13 0.07 -0.04 2.09 2.31 1iveB1 GLU 276 HB3 0.04 0.01 0.08 -0.04 1.99 2.09 1iveB1 GLU 276 HG2 -0.02 -0.01 -0.02 -0.04 2.34 2.24 1iveB1 GLU 276 HG3 -0.17 -0.04 -0.09 -0.04 2.34 2.00 1iveB1 GLU 277 H 0.03 0.12 0.02 -0.55 8.60 8.22 1iveB1 GLU 277 HA 0.04 0.10 0.32 -0.75 4.29 4.00 1iveB1 GLU 277 HB2 -0.02 -0.08 -0.21 -0.04 2.09 1.74 1iveB1 GLU 277 HB3 -0.02 0.08 0.19 -0.04 1.99 2.20 1iveB1 GLU 277 HG2 0.11 0.19 0.11 -0.04 2.34 2.70 1iveB1 GLU 277 HG3 0.07 -0.08 0.07 -0.04 2.34 2.36 1iveB1 CYS 278 H 0.02 -0.04 0.01 -0.55 8.50 7.95 1iveB1 CYS 278 HA 0.02 0.12 0.04 -0.75 4.58 4.01 1iveB1 CYS 278 HB2 0.01 -0.08 0.01 -0.04 2.97 2.86 1iveB1 CYS 278 HB3 0.01 -0.02 -0.16 -0.04 2.97 2.75 1iveB1 SER 279 H 0.07 0.50 0.18 -0.55 8.46 8.67 1iveB1 SER 279 HA 0.10 0.12 1.00 -0.75 4.49 4.96 1iveB1 SER 279 HB2 0.21 0.07 0.50 -0.04 3.95 4.68 1iveB1 SER 279 HB3 0.23 -0.15 0.30 -0.04 3.93 4.26 1iveB1 CYS 280 H 0.06 0.24 0.13 -0.55 8.50 8.37 1iveB1 CYS 280 HA -0.07 0.38 1.07 -0.75 4.58 5.21 1iveB1 CYS 280 HB2 -0.03 0.10 0.04 -0.04 2.97 3.04 1iveB1 CYS 280 HB3 -0.09 -0.06 0.00 -0.04 2.97 2.78 1iveB1 TYR 281 H -0.24 0.30 0.31 -0.55 8.29 8.11 1iveB1 TYR 281 HA -0.21 0.08 0.37 -0.75 4.56 4.05 1iveB1 TYR 281 HB2 -0.23 -0.02 0.08 -0.04 3.06 2.84 1iveB1 TYR 281 HB3 -0.11 0.21 -0.01 -0.04 2.98 3.03 1iveB1 TYR 281 HD2 -0.06 0.01 -0.31 -0.04 7.15 6.75 1iveB1 TYR 281 HE2 0.04 0.13 0.03 -0.04 6.85 7.01 1iveB1 PRO 282 HA -0.15 0.27 0.56 -0.51 4.44 4.61 1iveB1 PRO 282 HB2 -0.36 0.07 0.16 -0.04 2.28 2.11 1iveB1 PRO 282 HB3 -0.57 0.00 -0.03 -0.04 2.02 1.39 1iveB1 PRO 282 HG2 -0.84 0.04 0.15 -0.04 2.03 1.33 1iveB1 PRO 282 HG3 -2.34 0.02 0.08 -0.04 2.03 -0.26 1iveB1 PRO 282 HD2 -0.41 0.10 0.19 -0.04 3.68 3.52 1iveB1 PRO 282 HD3 -0.48 0.11 0.12 -0.04 3.65 3.36 1iveB1 ARG 283 H -0.05 0.31 0.21 -0.55 8.46 8.38 1iveB1 ARG 283 HA 0.07 0.02 0.48 -0.75 4.34 4.16 1iveB1 ARG 283 HB2 0.00 -0.02 0.06 -0.04 1.90 1.90 1iveB1 ARG 283 HB3 -0.03 -0.01 0.07 -0.04 1.80 1.80 1iveB1 ARG 283 HG2 0.04 -0.01 -0.09 -0.04 1.67 1.57 1iveB1 ARG 283 HG3 0.11 0.00 -0.03 -0.04 1.67 1.70 1iveB1 ARG 283 HD2 -0.05 -0.02 -0.03 -0.04 3.22 3.08 1iveB1 ARG 283 HD3 -0.04 0.00 -0.05 -0.04 3.22 3.10 1iveB1 TYR 284 H 0.15 0.31 0.28 -0.55 8.29 8.48 1iveB1 TYR 284 HA 0.03 0.10 0.08 -0.75 4.56 4.02 1iveB1 TYR 284 HB2 0.05 0.01 0.17 -0.04 3.06 3.25 1iveB1 TYR 284 HB3 0.03 -0.02 0.29 -0.04 2.98 3.24 1iveB1 TYR 284 HD2 0.07 -0.00 -0.08 -0.04 7.15 7.09 1iveB1 TYR 284 HE2 0.06 0.02 0.00 -0.04 6.85 6.89 1iveB1 PRO 285 HA -0.95 0.04 -0.06 -0.51 4.44 2.96 1iveB1 PRO 285 HB2 -0.22 -0.02 -0.02 -0.04 2.28 1.98 1iveB1 PRO 285 HB3 -0.38 -0.01 0.10 -0.04 2.02 1.69 1iveB1 PRO 285 HG2 -0.11 0.00 0.07 -0.04 2.03 1.95 1iveB1 PRO 285 HG3 -0.29 0.02 0.11 -0.04 2.03 1.82 1iveB1 PRO 285 HD2 -0.09 0.15 0.15 -0.04 3.68 3.85 1iveB1 PRO 285 HD3 0.02 0.05 0.27 -0.04 3.65 3.94 1iveB1 GLY 286 H -0.14 0.24 -0.64 -0.55 8.43 7.34 1iveB1 GLY 286 HA2 -0.10 0.00 0.47 -0.51 4.01 3.87 1iveB1 GLY 286 HA3 -0.08 0.03 0.56 -0.51 4.01 4.01 1iveB1 VAL 287 H -0.08 0.50 0.32 -0.55 8.24 8.44 1iveB1 VAL 287 HA -0.15 0.25 1.03 -0.75 4.13 4.50 1iveB1 VAL 287 HB -0.11 -0.04 0.04 -0.04 2.12 1.98 1iveB1 VAL 287 HG13 -0.14 0.00 -0.05 -0.04 0.97 0.74 1iveB1 VAL 287 HG23 -0.09 0.00 -0.32 -0.04 0.95 0.50 1iveB1 ARG 288 H -0.38 0.53 0.38 -0.55 8.46 8.44 1iveB1 ARG 288 HA -0.18 0.23 0.67 -0.75 4.34 4.32 1iveB1 ARG 288 HB2 -0.21 0.02 0.05 -0.04 1.90 1.71 1iveB1 ARG 288 HB3 -0.75 -0.02 0.13 -0.04 1.80 1.11 1iveB1 ARG 288 HG2 -0.27 0.04 -0.27 -0.04 1.67 1.13 1iveB1 ARG 288 HG3 -0.06 -0.01 -0.01 -0.04 1.67 1.55 1iveB1 ARG 288 HD2 -0.18 -0.07 -0.06 -0.04 3.22 2.88 1iveB1 ARG 288 HD3 0.13 -0.00 -0.08 -0.04 3.22 3.23 1iveB1 CYS 289 H -0.11 0.43 0.20 -0.55 8.50 8.48 1iveB1 CYS 289 HA -0.07 0.49 0.99 -0.75 4.58 5.23 1iveB1 CYS 289 HB2 -0.03 -0.04 0.01 -0.04 2.97 2.88 1iveB1 CYS 289 HB3 -0.01 -0.03 -0.17 -0.04 2.97 2.72 1iveB1 ILE 290 H 0.10 0.60 0.32 -0.55 8.25 8.72 1iveB1 ILE 290 HA 0.06 0.32 0.75 -0.75 4.18 4.56 1iveB1 ILE 290 HB 0.19 -0.09 0.22 -0.04 1.89 2.17 1iveB1 ILE 290 HG12 0.19 -0.09 -0.09 -0.04 1.49 1.46 1iveB1 ILE 290 HG13 0.15 0.16 0.05 -0.04 1.21 1.53 1iveB1 ILE 290 HG23 0.04 0.04 -0.28 -0.04 0.93 0.69 1iveB1 ILE 290 HD13 0.25 0.02 -0.35 -0.04 0.88 0.76 1iveB1 CYS 291 H -0.00 0.40 -0.01 -0.55 8.50 8.34 1iveB1 CYS 291 HA 0.02 0.19 0.31 -0.75 4.58 4.35 1iveB1 CYS 291 HB2 -0.04 -0.02 -0.14 -0.04 2.97 2.73 1iveB1 CYS 291 HB3 -0.01 0.25 -0.06 -0.04 2.97 3.11 1iveB1 ARG 292 H 0.00 0.63 0.08 -0.55 8.46 8.63 1iveB1 ARG 292 HA 0.02 0.20 0.95 -0.75 4.34 4.76 1iveB1 ARG 292 HB2 -0.02 0.12 -0.15 -0.04 1.90 1.80 1iveB1 ARG 292 HB3 0.02 -0.18 -0.15 -0.04 1.80 1.45 1iveB1 ARG 292 HG2 0.05 0.15 -0.10 -0.04 1.67 1.72 1iveB1 ARG 292 HG3 -0.01 0.18 -0.18 -0.04 1.67 1.61 1iveB1 ARG 292 HD2 0.06 -0.17 -0.25 -0.04 3.22 2.82 1iveB1 ARG 292 HD3 0.08 0.10 -0.40 -0.04 3.22 2.95 1iveB1 ASP 293 H 0.07 0.28 0.14 -0.55 8.40 8.34 1iveB1 ASP 293 HA 0.33 -0.05 0.76 -0.75 4.63 4.92 1iveB1 ASP 293 HB2 0.11 0.03 0.05 -0.04 2.71 2.85 1iveB1 ASP 293 HB3 0.16 0.23 0.18 -0.04 2.70 3.23 1iveB1 ASN 294 H 0.46 0.07 0.01 -0.55 8.53 8.52 1iveB1 ASN 294 HD21 0.07 -0.03 -0.23 -0.04 7.03 6.80 1iveB1 ASN 294 HD22 0.06 -0.08 -0.09 -0.04 7.74 7.58 1iveB1 ASN 294 HA 0.09 0.90 0.47 -0.75 4.76 5.46 1iveB1 ASN 294 HB2 0.17 0.01 -0.03 -0.04 2.88 3.00 1iveB1 ASN 294 HB3 0.00 -0.10 -0.32 -0.04 2.79 2.33 1iveB1 TRP 295 H 0.03 -0.04 -0.12 -0.55 7.97 7.29 1iveB1 TRP 295 HE1 -0.02 0.01 -0.11 -0.04 10.20 10.04 1iveB1 TRP 295 HA -0.14 0.13 0.89 -0.75 4.62 4.73 1iveB1 TRP 295 HB2 -0.53 0.13 0.09 -0.04 3.23 2.88 1iveB1 TRP 295 HB3 -0.20 -0.14 0.15 -0.04 3.23 3.01 1iveB1 TRP 295 HD1 -0.06 0.02 -0.09 -0.04 7.22 7.05 1iveB1 TRP 295 HE3 0.05 0.18 -0.04 -0.04 7.59 7.74 1iveB1 TRP 295 HZ2 0.01 0.01 -0.02 -0.04 7.44 7.40 1iveB1 TRP 295 HZ3 0.07 0.09 0.03 -0.04 7.13 7.28 1iveB1 TRP 295 HH2 0.03 0.00 0.01 -0.04 7.19 7.20 1iveB1 LYS 296 H 0.17 0.08 0.02 -0.55 8.42 8.14 1iveB1 LYS 296 HA -0.17 0.17 0.15 -0.75 4.32 3.72 1iveB1 LYS 296 HB2 -0.45 0.03 0.05 -0.04 1.87 1.46 1iveB1 LYS 296 HB3 -0.30 -0.07 0.06 -0.04 1.79 1.43 1iveB1 LYS 296 HG2 -0.50 -0.00 -0.05 -0.04 1.46 0.87 1iveB1 LYS 296 HG3 -0.90 0.03 -0.26 -0.04 1.46 0.28 1iveB1 LYS 296 HD2 -1.70 0.01 -0.07 -0.04 1.69 -0.12 1iveB1 LYS 296 HD3 -2.26 0.02 -0.05 -0.04 1.68 -0.65 1iveB1 LYS 296 HE2 -0.45 -0.01 -0.03 -0.04 2.99 2.45 1iveB1 LYS 296 HE3 -0.56 0.01 -0.03 -0.04 2.99 2.37 1iveB1 GLY 297 H 0.08 0.52 -0.16 -0.55 8.43 8.32 1iveB1 GLY 297 HA2 0.01 -0.32 0.77 -0.51 4.01 3.97 1iveB1 GLY 297 HA3 0.18 0.00 0.23 -0.51 4.01 3.91 1iveB1 SER 298 H 0.02 -0.20 0.24 -0.55 8.46 7.97 1iveB1 SER 298 HA 0.04 0.41 0.71 -0.75 4.49 4.90 1iveB1 SER 298 HB2 0.01 -0.05 0.14 -0.04 3.95 4.01 1iveB1 SER 298 HB3 0.01 0.35 0.02 -0.04 3.93 4.27 1iveB1 ASN 299 H 0.04 -0.11 0.19 -0.55 8.53 8.09 1iveB1 ASN 299 HD21 -0.56 0.20 0.12 -0.04 7.03 6.75 1iveB1 ASN 299 HD22 -0.11 -0.04 -0.02 -0.04 7.74 7.54 1iveB1 ASN 299 HA 0.05 -0.02 0.69 -0.75 4.76 4.72 1iveB1 ASN 299 HB2 0.15 0.06 0.09 -0.04 2.88 3.14 1iveB1 ASN 299 HB3 0.02 0.15 0.13 -0.04 2.79 3.05 1iveB1 ARG 300 H 0.08 0.06 0.13 -0.55 8.46 8.18 1iveB1 ARG 300 HA 0.02 0.26 0.79 -0.75 4.34 4.66 1iveB1 ARG 300 HB2 0.01 -0.16 0.07 -0.04 1.90 1.78 1iveB1 ARG 300 HB3 -0.00 0.10 -0.08 -0.04 1.80 1.79 1iveB1 ARG 300 HG2 -0.00 0.12 0.01 -0.04 1.67 1.75 1iveB1 ARG 300 HG3 -0.02 -0.15 -0.13 -0.04 1.67 1.33 1iveB1 ARG 300 HD2 -0.05 -0.11 -0.20 -0.04 3.22 2.82 1iveB1 ARG 300 HD3 -0.01 0.22 -0.21 -0.04 3.22 3.18 1iveB1 PRO 301 HA -0.60 0.21 0.56 -0.51 4.44 4.09 1iveB1 PRO 301 HB2 -0.14 -0.07 -0.22 -0.04 2.28 1.80 1iveB1 PRO 301 HB3 -0.36 0.03 -0.03 -0.04 2.02 1.61 1iveB1 PRO 301 HG2 -0.09 0.13 -0.24 -0.04 2.03 1.79 1iveB1 PRO 301 HG3 -0.34 0.02 -0.11 -0.04 2.03 1.56 1iveB1 PRO 301 HD2 -0.05 0.32 -0.39 -0.04 3.68 3.51 1iveB1 PRO 301 HD3 -0.05 0.20 0.09 -0.04 3.65 3.85 1iveB1 VAL 302 H -0.15 0.64 0.26 -0.55 8.24 8.43 1iveB1 VAL 302 HA 0.04 0.41 0.89 -0.75 4.13 4.71 1iveB1 VAL 302 HB 0.04 -0.14 -0.17 -0.04 2.12 1.81 1iveB1 VAL 302 HG13 0.20 0.00 -0.17 -0.04 0.97 0.96 1iveB1 VAL 302 HG23 0.13 0.01 -0.44 -0.04 0.95 0.62 1iveB1 VAL 303 H 0.02 0.48 0.09 -0.55 8.24 8.28 1iveB1 VAL 303 HA 0.01 0.27 1.04 -0.75 4.13 4.69 1iveB1 VAL 303 HB -0.02 -0.08 0.07 -0.04 2.12 2.06 1iveB1 VAL 303 HG13 -0.00 0.00 -0.11 -0.04 0.97 0.82 1iveB1 VAL 303 HG23 -0.02 -0.00 -0.29 -0.04 0.95 0.60 1iveB1 ASP 304 H 0.02 0.42 0.06 -0.55 8.40 8.36 1iveB1 ASP 304 HA -0.02 0.24 1.07 -0.75 4.63 5.17 1iveB1 ASP 304 HB2 0.04 -0.08 0.08 -0.04 2.71 2.70 1iveB1 ASP 304 HB3 0.02 0.02 -0.07 -0.04 2.70 2.63 1iveB1 ILE 305 H -0.04 0.57 0.23 -0.55 8.25 8.47 1iveB1 ILE 305 HA 0.04 0.27 0.93 -0.75 4.18 4.67 1iveB1 ILE 305 HB -0.05 -0.06 0.09 -0.04 1.89 1.83 1iveB1 ILE 305 HG12 0.01 0.04 -0.18 -0.04 1.49 1.32 1iveB1 ILE 305 HG13 0.01 0.04 -0.55 -0.04 1.21 0.68 1iveB1 ILE 305 HG23 0.04 0.00 -0.28 -0.04 0.93 0.66 1iveB1 ILE 305 HD13 -0.06 0.01 -0.23 -0.04 0.88 0.56 1iveB1 ASN 306 H 0.03 0.73 0.14 -0.55 8.53 8.88 1iveB1 ASN 306 HD21 -0.07 0.02 -0.01 -0.04 7.03 6.92 1iveB1 ASN 306 HD22 -0.05 0.08 -0.02 -0.04 7.74 7.71 1iveB1 ASN 306 HA -0.05 0.11 0.82 -0.75 4.76 4.89 1iveB1 ASN 306 HB2 -0.03 0.06 0.01 -0.04 2.88 2.87 1iveB1 ASN 306 HB3 -0.04 0.04 0.12 -0.04 2.79 2.87 1iveB1 MET 307 H -0.08 0.39 0.28 -0.55 8.47 8.51 1iveB1 MET 307 HA 0.03 0.11 0.19 -0.75 4.52 4.10 1iveB1 MET 307 HB2 -0.09 0.23 0.20 -0.04 2.15 2.46 1iveB1 MET 307 HB3 -0.09 0.01 0.06 -0.04 2.03 1.97 1iveB1 MET 307 HG2 -0.02 0.01 -0.08 -0.04 2.63 2.49 1iveB1 MET 307 HG3 -0.00 0.01 0.02 -0.04 2.56 2.54 1iveB1 MET 307 HE3 -0.09 0.02 -0.21 -0.04 2.10 1.78 1iveB1 GLU 308 H -0.17 -0.08 -0.42 -0.55 8.60 7.38 1iveB1 GLU 308 HA -0.23 0.18 0.07 -0.75 4.29 3.56 1iveB1 GLU 308 HB2 -0.12 -0.07 0.06 -0.04 2.09 1.91 1iveB1 GLU 308 HB3 -0.11 0.04 0.02 -0.04 1.99 1.90 1iveB1 GLU 308 HG2 -0.09 0.02 0.01 -0.04 2.34 2.23 1iveB1 GLU 308 HG3 -0.12 0.05 -0.04 -0.04 2.34 2.19 1iveB1 ASP 309 H -0.22 -0.04 -0.05 -0.55 8.40 7.54 1iveB1 ASP 309 HA -0.18 0.32 1.02 -0.75 4.63 5.05 1iveB1 ASP 309 HB2 -0.03 0.05 0.13 -0.04 2.71 2.82 1iveB1 ASP 309 HB3 -0.07 0.01 -0.09 -0.04 2.70 2.50 1iveB1 TYR 310 H -0.42 0.12 -0.17 -0.55 8.29 7.28 1iveB1 TYR 310 HA -0.40 0.19 0.24 -0.75 4.56 3.83 1iveB1 TYR 310 HB2 -0.64 0.20 -0.16 -0.04 3.06 2.43 1iveB1 TYR 310 HB3 -1.23 -0.04 0.02 -0.04 2.98 1.69 1iveB1 TYR 310 HD2 -1.80 0.04 -0.22 -0.04 7.15 5.13 1iveB1 TYR 310 HE2 -0.14 -0.04 -0.07 -0.04 6.85 6.56 1iveB1 SER 311 H -0.07 -0.09 -0.33 -0.55 8.46 7.42 1iveB1 SER 311 HA -0.00 0.10 0.51 -0.75 4.49 4.35 1iveB1 SER 311 HB2 -0.01 -0.10 -0.11 -0.04 3.95 3.69 1iveB1 SER 311 HB3 -0.00 0.05 0.01 -0.04 3.93 3.95 1iveB1 ILE 312 H 0.02 0.18 0.24 -0.55 8.25 8.15 1iveB1 ILE 312 HA 0.04 0.33 1.08 -0.75 4.18 4.87 1iveB1 ILE 312 HB 0.04 -0.09 0.03 -0.04 1.89 1.82 1iveB1 ILE 312 HG12 0.06 0.05 -0.12 -0.04 1.49 1.44 1iveB1 ILE 312 HG13 0.08 -0.03 -0.23 -0.04 1.21 0.99 1iveB1 ILE 312 HG23 0.03 0.02 -0.12 -0.04 0.93 0.82 1iveB1 ILE 312 HD13 0.17 0.08 -0.42 -0.04 0.88 0.67 1iveB1 ASP 313 H 0.02 0.78 0.35 -0.55 8.40 9.02 1iveB1 ASP 313 HA 0.03 0.08 0.63 -0.75 4.63 4.61 1iveB1 ASP 313 HB2 0.02 0.01 -0.16 -0.04 2.71 2.54 1iveB1 ASP 313 HB3 0.03 -0.06 0.04 -0.04 2.70 2.68 1iveB1 SER 314 H 0.03 0.12 0.16 -0.55 8.46 8.22 1iveB1 SER 314 HA 0.02 0.12 0.25 -0.75 4.49 4.13 1iveB1 SER 314 HB2 -0.01 0.19 0.34 -0.04 3.95 4.43 1iveB1 SER 314 HB3 0.02 0.03 0.06 -0.04 3.93 3.99 1iveB1 SER 315 H 0.00 0.39 0.21 -0.55 8.46 8.51 1iveB1 SER 315 HA 0.12 0.11 0.30 -0.75 4.49 4.27 1iveB1 SER 315 HB2 0.03 0.28 0.30 -0.04 3.95 4.52 1iveB1 SER 315 HB3 0.03 0.01 0.20 -0.04 3.93 4.13 1iveB1 TYR 316 H 0.20 0.43 -0.20 -0.55 8.29 8.16 1iveB1 TYR 316 HA -0.01 0.18 0.43 -0.75 4.56 4.40 1iveB1 TYR 316 HB2 -0.05 -0.18 -0.27 -0.04 3.06 2.52 1iveB1 TYR 316 HB3 -0.03 0.07 -0.06 -0.04 2.98 2.92 1iveB1 TYR 316 HD2 -0.01 -0.06 -0.71 -0.04 7.15 6.33 1iveB1 TYR 316 HE2 0.02 0.05 -0.22 -0.04 6.85 6.66 1iveB1 VAL 317 H 0.07 0.61 0.08 -0.55 8.24 8.45 1iveB1 VAL 317 HA -0.16 0.05 0.59 -0.75 4.13 3.86 1iveB1 VAL 317 HB 0.03 -0.04 -0.04 -0.04 2.12 2.02 1iveB1 VAL 317 HG13 0.19 0.02 -0.07 -0.04 0.97 1.07 1iveB1 VAL 317 HG23 0.05 0.13 0.12 -0.04 0.95 1.21 1iveB1 CYS 318 H -0.33 0.21 0.14 -0.55 8.50 7.98 1iveB1 CYS 318 HA -0.12 -0.06 0.13 -0.75 4.58 3.77 1iveB1 CYS 318 HB2 -0.25 0.19 -0.19 -0.04 2.97 2.67 1iveB1 CYS 318 HB3 -0.13 0.09 -0.49 -0.04 2.97 2.39 1iveB1 SER 319 H -0.05 0.22 -0.16 -0.55 8.46 7.92 1iveB1 SER 319 HA -0.03 -0.02 0.19 -0.75 4.49 3.88 1iveB1 SER 319 HB2 0.01 -0.08 0.07 -0.04 3.95 3.91 1iveB1 SER 319 HB3 0.01 0.03 0.03 -0.04 3.93 3.97 1iveB1 GLY 320 H -0.03 0.49 -0.23 -0.55 8.43 8.10 1iveB1 GLY 320 HA2 -0.03 0.08 0.42 -0.51 4.01 3.97 1iveB1 GLY 320 HA3 -0.04 0.17 0.19 -0.51 4.01 3.83 1iveB1 LEU 321 H -0.01 -0.01 -0.36 -0.55 8.37 7.44 1iveB1 LEU 321 HA -0.03 0.12 0.63 -0.75 4.35 4.32 1iveB1 LEU 321 HB2 0.05 -0.10 -0.02 -0.04 1.64 1.53 1iveB1 LEU 321 HB3 0.12 0.08 -0.16 -0.04 1.64 1.64 1iveB1 LEU 321 HG -0.08 -0.01 -0.01 -0.04 1.64 1.50 1iveB1 LEU 321 HD13 -0.25 -0.01 -0.19 -0.04 0.93 0.43 1iveB1 LEU 321 HD23 -0.13 0.03 0.02 -0.04 0.89 0.76 1iveB1 VAL 322 H 0.02 -0.04 -0.24 -0.55 8.24 7.44 1iveB1 VAL 322 HA -0.00 -0.04 0.26 -0.75 4.13 3.59 1iveB1 VAL 322 HB -0.01 0.20 -1.12 -0.04 2.12 1.15 1iveB1 VAL 322 HG13 -0.00 0.02 -0.32 -0.04 0.97 0.63 1iveB1 VAL 322 HG23 -0.01 -0.00 -0.22 -0.04 0.95 0.68 1iveB1 GLY 323 H -0.01 0.12 0.16 -0.55 8.43 8.16 1iveB1 GLY 323 HA2 -0.10 0.13 -0.07 -0.51 4.01 3.46 1iveB1 GLY 323 HA3 -0.09 -0.04 0.19 -0.51 4.01 3.57 1iveB1 ASP 324 H -0.01 0.16 0.06 -0.55 8.40 8.06 1iveB1 ASP 324 HA -0.01 0.05 0.44 -0.75 4.63 4.35 1iveB1 ASP 324 HB2 0.02 0.22 0.12 -0.04 2.71 3.03 1iveB1 ASP 324 HB3 0.02 0.17 -0.01 -0.04 2.70 2.84 1iveB1 THR 325 H 0.01 0.08 0.09 -0.55 8.28 7.91 1iveB1 THR 325 HA 0.01 0.09 0.14 -0.75 4.39 3.88 1iveB1 THR 325 HB 0.04 -0.10 -0.02 -0.04 4.32 4.20 1iveB1 THR 325 HG23 0.03 0.02 -0.36 -0.04 1.22 0.88 1iveB1 PRO 326 HA 0.02 0.32 0.45 -0.51 4.44 4.72 1iveB1 PRO 326 HB2 0.01 -0.02 0.05 -0.04 2.28 2.29 1iveB1 PRO 326 HB3 0.02 0.00 0.20 -0.04 2.02 2.20 1iveB1 PRO 326 HG2 0.02 0.17 -0.02 -0.04 2.03 2.16 1iveB1 PRO 326 HG3 0.02 -0.11 0.05 -0.04 2.03 1.96 1iveB1 PRO 326 HD2 0.04 0.10 0.51 -0.04 3.68 4.29 1iveB1 PRO 326 HD3 0.03 0.02 0.01 -0.04 3.65 3.67 1iveB1 ARG 327 H 0.01 0.42 0.26 -0.55 8.46 8.60 1iveB1 ARG 327 HA 0.00 0.27 0.37 -0.75 4.34 4.22 1iveB1 ARG 327 HB2 -0.00 -0.31 0.11 -0.04 1.90 1.65 1iveB1 ARG 327 HB3 0.00 0.20 -0.01 -0.04 1.80 1.96 1iveB1 ARG 327 HG2 -0.00 0.30 -0.06 -0.04 1.67 1.87 1iveB1 ARG 327 HG3 -0.00 -0.20 -0.03 -0.04 1.67 1.40 1iveB1 ARG 327 HD2 -0.01 -0.24 -0.06 -0.04 3.22 2.87 1iveB1 ARG 327 HD3 -0.01 0.05 -0.10 -0.04 3.22 3.12 1iveB1 ASN 328 H -0.01 0.16 0.07 -0.55 8.53 8.20 1iveB1 ASN 328 HD21 -0.02 -0.12 0.03 -0.04 7.03 6.88 1iveB1 ASN 328 HD22 -0.02 0.57 0.13 -0.04 7.74 8.37 1iveB1 ASN 328 HA -0.01 0.14 0.23 -0.75 4.76 4.37 1iveB1 ASN 328 HB2 -0.02 -0.02 -0.00 -0.04 2.88 2.80 1iveB1 ASN 328 HB3 -0.02 0.18 -0.26 -0.04 2.79 2.66 1iveB1 ASP 329 H -0.01 0.07 -0.03 -0.55 8.40 7.88 1iveB1 ASP 329 HA -0.02 0.07 0.32 -0.75 4.63 4.25 1iveB1 ASP 329 HB2 -0.01 -0.03 0.02 -0.04 2.71 2.64 1iveB1 ASP 329 HB3 -0.01 0.27 -0.21 -0.04 2.70 2.71 1iveB1 ASP 330 H -0.03 0.13 0.13 -0.55 8.40 8.09 1iveB1 ASP 330 HA -0.03 0.17 -0.41 -0.75 4.63 3.60 1iveB1 ASP 330 HB2 -0.06 -0.00 0.06 -0.04 2.71 2.66 1iveB1 ASP 330 HB3 -0.06 0.11 0.10 -0.04 2.70 2.82 1iveB1 ARG 331 H -0.03 -0.05 -0.09 -0.55 8.46 7.74 1iveB1 ARG 331 HA -0.03 0.08 0.76 -0.75 4.34 4.40 1iveB1 ARG 331 HB2 -0.03 -0.08 0.13 -0.04 1.90 1.89 1iveB1 ARG 331 HB3 -0.02 0.04 0.11 -0.04 1.80 1.89 1iveB1 ARG 331 HG2 -0.03 -0.02 0.09 -0.04 1.67 1.67 1iveB1 ARG 331 HG3 -0.02 -0.03 0.04 -0.04 1.67 1.61 1iveB1 ARG 331 HD2 -0.02 0.01 -0.09 -0.04 3.22 3.08 1iveB1 ARG 331 HD3 -0.03 0.06 0.09 -0.04 3.22 3.30 1iveB1 SER 332 H -0.03 0.27 0.05 -0.55 8.46 8.21 1iveB1 SER 332 HA -0.03 0.13 0.39 -0.75 4.49 4.22 1iveB1 SER 332 HB2 -0.02 -0.03 0.18 -0.04 3.95 4.03 1iveB1 SER 332 HB3 -0.02 -0.08 0.02 -0.04 3.93 3.81 1iveB1 SER 333 H -0.03 0.37 -0.39 -0.55 8.46 7.86 1iveB1 SER 333 HA -0.03 0.06 0.68 -0.75 4.49 4.44 1iveB1 SER 333 HB2 -0.03 0.27 -0.12 -0.04 3.95 4.03 1iveB1 SER 333 HB3 -0.02 -0.04 -0.10 -0.04 3.93 3.73 1iveB1 ASN 334 H -0.03 0.13 0.13 -0.55 8.53 8.21 1iveB1 ASN 334 HD21 -0.04 -0.03 -0.04 -0.04 7.03 6.88 1iveB1 ASN 334 HD22 -0.05 -0.03 0.02 -0.04 7.74 7.64 1iveB1 ASN 334 HA -0.04 0.16 0.87 -0.75 4.76 5.00 1iveB1 ASN 334 HB2 -0.05 -0.03 -0.14 -0.04 2.88 2.62 1iveB1 ASN 334 HB3 -0.06 -0.03 -0.20 -0.04 2.79 2.46 1iveB1 SER 335 H -0.05 0.33 0.20 -0.55 8.46 8.39 1iveB1 SER 335 HA -0.09 0.02 0.56 -0.75 4.49 4.23 1iveB1 SER 335 HB2 -0.03 -0.01 -0.10 -0.04 3.95 3.76 1iveB1 SER 335 HB3 -0.04 0.26 -0.32 -0.04 3.93 3.79 1iveB1 ASN 336 H -0.11 0.10 0.13 -0.55 8.53 8.10 1iveB1 ASN 336 HD21 -0.10 -0.02 0.01 -0.04 7.03 6.88 1iveB1 ASN 336 HD22 -0.07 0.05 0.02 -0.04 7.74 7.70 1iveB1 ASN 336 HA -0.08 0.54 1.01 -0.75 4.76 5.49 1iveB1 ASN 336 HB2 -0.07 0.02 0.19 -0.04 2.88 2.97 1iveB1 ASN 336 HB3 -0.08 0.04 0.00 -0.04 2.79 2.72 1iveB1 CYS 337 H -0.08 0.20 -0.24 -0.55 8.50 7.84 1iveB1 CYS 337 HA -0.04 0.14 -0.15 -0.75 4.58 3.77 1iveB1 CYS 337 HB2 -0.11 0.07 0.11 -0.04 2.97 3.00 1iveB1 CYS 337 HB3 -0.18 0.04 0.05 -0.04 2.97 2.85 1iveB1 ARG 338 H -0.10 -0.07 -0.39 -0.55 8.46 7.35 1iveB1 ARG 338 HA 0.01 0.17 0.99 -0.75 4.34 4.76 1iveB1 ARG 338 HB2 -0.08 -0.04 0.02 -0.04 1.90 1.77 1iveB1 ARG 338 HB3 -0.04 -0.01 -0.02 -0.04 1.80 1.69 1iveB1 ARG 338 HG2 -0.04 0.07 -0.18 -0.04 1.67 1.48 1iveB1 ARG 338 HG3 -0.06 0.17 -0.08 -0.04 1.67 1.66 1iveB1 ARG 338 HD2 -0.02 -0.03 0.01 -0.04 3.22 3.13 1iveB1 ARG 338 HD3 -0.03 -0.01 0.00 -0.04 3.22 3.14 1iveB1 ASP 339 H -0.23 -0.01 0.11 -0.55 8.40 7.73 1iveB1 ASP 339 HA -0.21 0.26 0.72 -0.75 4.63 4.65 1iveB1 ASP 339 HB2 -0.19 0.10 0.02 -0.04 2.71 2.61 1iveB1 ASP 339 HB3 -0.15 0.03 0.08 -0.04 2.70 2.62 1iveB1 PRO 340 HA -0.64 0.09 0.54 -0.51 4.44 3.92 1iveB1 PRO 340 HB2 -0.14 0.07 -0.24 -0.04 2.28 1.94 1iveB1 PRO 340 HB3 0.04 0.02 -0.02 -0.04 2.02 2.02 1iveB1 PRO 340 HG2 -0.21 0.06 -0.06 -0.04 2.03 1.78 1iveB1 PRO 340 HG3 -0.15 0.03 0.03 -0.04 2.03 1.90 1iveB1 PRO 340 HD2 -0.17 0.11 0.21 -0.04 3.68 3.78 1iveB1 PRO 340 HD3 -0.06 0.11 0.19 -0.04 3.65 3.85 1iveB1 ASN 341 H -0.13 0.08 0.20 -0.55 8.53 8.13 1iveB1 ASN 341 HD21 -0.01 0.02 0.09 -0.04 7.03 7.08 1iveB1 ASN 341 HD22 -0.04 0.46 0.18 -0.04 7.74 8.30 1iveB1 ASN 341 HA -0.14 0.27 0.64 -0.75 4.76 4.77 1iveB1 ASN 341 HB2 -0.08 0.10 0.08 -0.04 2.88 2.94 1iveB1 ASN 341 HB3 -0.12 0.02 0.03 -0.04 2.79 2.68 1iveB1 ASN 342 H -0.12 0.24 0.09 -0.55 8.53 8.20 1iveB1 ASN 342 HD21 -0.11 -0.00 -0.17 -0.04 7.03 6.70 1iveB1 ASN 342 HD22 -0.09 0.06 -0.12 -0.04 7.74 7.55 1iveB1 ASN 342 HA -0.09 0.11 0.37 -0.75 4.76 4.39 1iveB1 ASN 342 HB2 -0.08 0.05 0.30 -0.04 2.88 3.11 1iveB1 ASN 342 HB3 -0.10 -0.04 0.13 -0.04 2.79 2.73 1iveB1 GLU 343 H -0.04 0.03 -0.28 -0.55 8.60 7.76 1iveB1 GLU 343 HA -0.03 0.16 0.69 -0.75 4.29 4.36 1iveB1 GLU 343 HB2 -0.03 -0.10 0.10 -0.04 2.09 2.02 1iveB1 GLU 343 HB3 -0.02 0.03 0.02 -0.04 1.99 1.97 1iveB1 GLU 343 HG2 -0.04 0.11 -0.06 -0.04 2.34 2.31 1iveB1 GLU 343 HG3 -0.05 0.11 -0.38 -0.04 2.34 1.98 1iveB1 ARG 344 H -0.02 0.15 -0.08 -0.55 8.46 7.97 1iveB1 ARG 344 HA 0.00 -0.04 0.12 -0.75 4.34 3.66 1iveB1 ARG 344 HB2 0.00 0.21 -0.01 -0.04 1.90 2.06 1iveB1 ARG 344 HB3 0.01 -0.01 -0.01 -0.04 1.80 1.75 1iveB1 ARG 344 HG2 -0.01 -0.06 -0.06 -0.04 1.67 1.50 1iveB1 ARG 344 HG3 -0.01 0.01 -0.41 -0.04 1.67 1.22 1iveB1 ARG 344 HD2 0.00 -0.04 -0.05 -0.04 3.22 3.09 1iveB1 ARG 344 HD3 -0.00 -0.03 -0.07 -0.04 3.22 3.08 1iveB1 GLY 345 H -0.01 0.02 -0.26 -0.55 8.43 7.64 1iveB1 GLY 345 HA2 0.01 0.06 -0.77 -0.51 4.01 2.80 1iveB1 GLY 345 HA3 -0.02 -0.05 -0.27 -0.51 4.01 3.16 1iveB1 THR 346 H 0.03 -0.22 -0.37 -0.55 8.28 7.17 1iveB1 THR 346 HA 0.09 0.09 -0.16 -0.75 4.39 3.66 1iveB1 THR 346 HB 0.07 0.05 0.28 -0.04 4.32 4.68 1iveB1 THR 346 HG23 0.14 -0.08 0.08 -0.04 1.22 1.32 1iveB1 GLN 347 H 0.05 -0.10 0.09 -0.55 8.47 7.96 1iveB1 GLN 347 HE21 0.03 -0.02 0.04 -0.04 6.97 6.97 1iveB1 GLN 347 HE22 0.03 -0.04 0.05 -0.04 7.69 7.70 1iveB1 GLN 347 HA 0.05 -0.07 0.21 -0.75 4.36 3.80 1iveB1 GLN 347 HB2 0.04 0.07 0.21 -0.04 2.15 2.43 1iveB1 GLN 347 HB3 0.05 -0.24 0.38 -0.04 2.02 2.18 1iveB1 GLN 347 HG2 0.04 -0.03 0.12 -0.04 2.40 2.50 1iveB1 GLN 347 HG3 0.04 -0.06 0.16 -0.04 2.39 2.49 1iveB1 GLY 348 H 0.05 0.10 0.30 -0.55 8.43 8.34 1iveB1 GLY 348 HA2 0.04 0.28 0.27 -0.51 4.01 4.09 1iveB1 GLY 348 HA3 0.04 0.10 0.84 -0.51 4.01 4.48 1iveB1 VAL 349 H -0.00 0.31 0.24 -0.55 8.24 8.24 1iveB1 VAL 349 HA -0.07 -0.00 0.35 -0.75 4.13 3.65 1iveB1 VAL 349 HB 0.06 0.09 0.08 -0.04 2.12 2.30 1iveB1 VAL 349 HG13 0.01 -0.04 -0.10 -0.04 0.97 0.80 1iveB1 VAL 349 HG23 0.06 0.06 0.05 -0.04 0.95 1.08 1iveB1 LYS 350 H -0.76 0.03 0.14 -0.55 8.42 7.28 1iveB1 LYS 350 HA -0.15 0.14 0.81 -0.75 4.32 4.37 1iveB1 LYS 350 HB2 -0.93 -0.09 0.26 -0.04 1.87 1.07 1iveB1 LYS 350 HB3 -0.34 -0.17 0.26 -0.04 1.79 1.49 1iveB1 LYS 350 HG2 -0.01 0.10 0.22 -0.04 1.46 1.73 1iveB1 LYS 350 HG3 -0.07 0.04 0.19 -0.04 1.46 1.58 1iveB1 LYS 350 HD2 0.13 0.07 0.11 -0.04 1.69 1.96 1iveB1 LYS 350 HD3 0.19 -0.19 0.10 -0.04 1.68 1.74 1iveB1 LYS 350 HE2 0.22 -0.17 -0.02 -0.04 2.99 2.98 1iveB1 LYS 350 HE3 0.11 0.06 0.11 -0.04 2.99 3.23 1iveB1 GLY 351 H -0.00 0.34 0.24 -0.55 8.43 8.46 1iveB1 GLY 351 HA2 0.13 0.01 0.39 -0.51 4.01 4.03 1iveB1 GLY 351 HA3 -0.03 0.10 0.26 -0.51 4.01 3.83 1iveB1 TRP 352 H -0.40 0.26 0.16 -0.55 7.97 7.44 1iveB1 TRP 352 HE1 -0.31 0.00 -0.14 -0.04 10.20 9.71 1iveB1 TRP 352 HA 0.05 0.26 0.93 -0.75 4.62 5.11 1iveB1 TRP 352 HB2 0.06 0.02 0.08 -0.04 3.23 3.36 1iveB1 TRP 352 HB3 0.01 -0.00 -0.19 -0.04 3.23 3.01 1iveB1 TRP 352 HD1 -0.08 -0.00 -0.28 -0.04 7.22 6.81 1iveB1 TRP 352 HE3 0.16 0.08 -0.31 -0.04 7.59 7.48 1iveB1 TRP 352 HZ2 -1.17 -0.01 -0.24 -0.04 7.44 5.98 1iveB1 TRP 352 HZ3 0.41 0.01 -0.34 -0.04 7.13 7.17 1iveB1 TRP 352 HH2 -0.07 -0.01 -0.33 -0.04 7.19 6.74 1iveB1 ALA 353 H 0.34 0.29 0.26 -0.55 8.40 8.74 1iveB1 ALA 353 HA -0.15 0.08 0.11 -0.75 4.34 3.63 1iveB1 ALA 353 HB3 -0.02 0.04 0.19 -0.04 1.41 1.57 1iveB1 PHE 354 H 0.09 0.50 0.21 -0.55 8.34 8.59 1iveB1 PHE 354 HA 0.17 0.02 0.20 -0.75 4.62 4.26 1iveB1 PHE 354 HB2 -0.32 -0.01 0.09 -0.04 3.15 2.87 1iveB1 PHE 354 HB3 -0.18 0.21 0.06 -0.04 3.06 3.12 1iveB1 PHE 354 HD2 0.20 0.10 -0.28 -0.04 7.28 7.26 1iveB1 PHE 354 HE2 0.20 0.01 -0.14 -0.04 7.38 7.40 1iveB1 PHE 354 HZ -0.20 0.00 -0.08 -0.04 7.32 7.00 1iveB1 ASP 355 H -0.06 0.13 0.10 -0.55 8.40 8.01 1iveB1 ASP 355 HA -0.19 0.22 0.44 -0.75 4.63 4.35 1iveB1 ASP 355 HB2 -1.05 0.13 -0.02 -0.04 2.71 1.73 1iveB1 ASP 355 HB3 -2.26 -0.01 0.05 -0.04 2.70 0.44 1iveB1 ASN 356 H -0.03 0.68 0.03 -0.55 8.53 8.66 1iveB1 ASN 356 HD21 0.12 -0.02 -0.07 -0.04 7.03 7.02 1iveB1 ASN 356 HD22 0.13 0.07 -0.01 -0.04 7.74 7.89 1iveB1 ASN 356 HA 0.07 0.15 0.51 -0.75 4.76 4.73 1iveB1 ASN 356 HB2 0.26 0.15 -0.06 -0.04 2.88 3.19 1iveB1 ASN 356 HB3 0.13 -0.10 -0.00 -0.04 2.79 2.78 1iveB1 GLY 357 H 0.03 0.20 -0.03 -0.55 8.43 8.08 1iveB1 GLY 357 HA2 0.05 0.09 0.37 -0.51 4.01 4.02 1iveB1 GLY 357 HA3 0.06 0.04 0.66 -0.51 4.01 4.26 1iveB1 ASN 358 H 0.08 0.30 0.40 -0.55 8.53 8.76 1iveB1 ASN 358 HD21 0.08 0.06 -0.03 -0.04 7.03 7.10 1iveB1 ASN 358 HD22 0.10 -0.05 -0.06 -0.04 7.74 7.68 1iveB1 ASN 358 HA 0.28 0.17 0.11 -0.75 4.76 4.56 1iveB1 ASN 358 HB2 0.08 0.01 0.13 -0.04 2.88 3.06 1iveB1 ASN 358 HB3 0.08 -0.09 -0.05 -0.04 2.79 2.69 1iveB1 ASP 359 H 0.08 0.56 0.04 -0.55 8.40 8.53 1iveB1 ASP 359 HA 0.05 -0.00 0.89 -0.75 4.63 4.81 1iveB1 ASP 359 HB2 -0.04 0.14 0.17 -0.04 2.71 2.94 1iveB1 ASP 359 HB3 -0.17 0.08 0.16 -0.04 2.70 2.73 1iveB1 LEU 360 H -0.11 0.50 0.25 -0.55 8.37 8.46 1iveB1 LEU 360 HA -0.04 0.29 0.73 -0.75 4.35 4.57 1iveB1 LEU 360 HB2 0.20 -0.08 -0.42 -0.04 1.64 1.31 1iveB1 LEU 360 HB3 0.02 -0.08 0.01 -0.04 1.64 1.55 1iveB1 LEU 360 HG 0.00 0.22 -0.20 -0.04 1.64 1.62 1iveB1 LEU 360 HD13 0.43 0.01 -0.26 -0.04 0.93 1.07 1iveB1 LEU 360 HD23 0.05 0.00 -0.16 -0.04 0.89 0.74 1iveB1 TRP 361 H -0.19 0.52 0.15 -0.55 7.97 7.91 1iveB1 TRP 361 HE1 -0.05 -0.02 -0.06 -0.04 10.20 10.03 1iveB1 TRP 361 HA -0.14 0.23 0.96 -0.75 4.62 4.91 1iveB1 TRP 361 HB2 -0.90 0.03 0.06 -0.04 3.23 2.37 1iveB1 TRP 361 HB3 0.06 0.03 -0.05 -0.04 3.23 3.23 1iveB1 TRP 361 HD1 -0.44 0.05 -0.14 -0.04 7.22 6.64 1iveB1 TRP 361 HE3 0.07 0.04 -0.25 -0.04 7.59 7.41 1iveB1 TRP 361 HZ2 -0.02 0.20 0.05 -0.04 7.44 7.63 1iveB1 TRP 361 HZ3 0.02 0.14 -0.20 -0.04 7.13 7.04 1iveB1 TRP 361 HH2 0.02 0.12 -0.31 -0.04 7.19 6.98 1iveB1 MET 362 H -0.17 0.60 0.26 -0.55 8.47 8.61 1iveB1 MET 362 HA -0.93 0.09 0.56 -0.75 4.52 3.48 1iveB1 MET 362 HB2 -0.51 0.18 0.08 -0.04 2.15 1.86 1iveB1 MET 362 HB3 -0.29 -0.05 -0.29 -0.04 2.03 1.36 1iveB1 MET 362 HG2 -0.39 -0.05 -0.21 -0.04 2.63 1.94 1iveB1 MET 362 HG3 -1.01 0.04 -0.34 -0.04 2.56 1.21 1iveB1 MET 362 HE3 -0.11 0.06 -0.44 -0.04 2.10 1.57 1iveB1 GLY 363 H -1.47 0.28 0.16 -0.55 8.43 6.85 1iveB1 GLY 363 HA2 -0.63 0.29 1.01 -0.51 4.01 4.16 1iveB1 GLY 363 HA3 -0.48 -0.08 0.37 -0.51 4.01 3.31 1iveB1 ARG 364 H -0.93 0.63 0.34 -0.55 8.46 7.95 1iveB1 ARG 364 HA -0.40 0.09 0.34 -0.75 4.34 3.61 1iveB1 ARG 364 HB2 -0.17 0.11 0.07 -0.04 1.90 1.87 1iveB1 ARG 364 HB3 -0.30 0.08 -0.30 -0.04 1.80 1.24 1iveB1 ARG 364 HG2 -0.17 -0.16 -0.29 -0.04 1.67 1.01 1iveB1 ARG 364 HG3 -0.08 0.26 -0.21 -0.04 1.67 1.59 1iveB1 ARG 364 HD2 -0.02 0.21 -0.21 -0.04 3.22 3.16 1iveB1 ARG 364 HD3 0.02 -0.16 -0.34 -0.04 3.22 2.70 1iveB1 THR 365 H -0.11 0.22 0.04 -0.55 8.28 7.88 1iveB1 THR 365 HA 0.01 0.24 0.49 -0.75 4.39 4.37 1iveB1 THR 365 HB 0.04 -0.05 0.09 -0.04 4.32 4.37 1iveB1 THR 365 HG23 0.12 -0.00 0.00 -0.04 1.22 1.30 1iveB1 ILE 366 H 0.04 0.31 -0.00 -0.55 8.25 8.05 1iveB1 ILE 366 HA 0.01 0.14 0.54 -0.75 4.18 4.11 1iveB1 ILE 366 HB 0.06 -0.00 0.17 -0.04 1.89 2.08 1iveB1 ILE 366 HG12 0.05 0.01 -0.05 -0.04 1.49 1.46 1iveB1 ILE 366 HG13 0.03 0.01 -0.33 -0.04 1.21 0.89 1iveB1 ILE 366 HG23 0.04 -0.04 -0.03 -0.04 0.93 0.86 1iveB1 ILE 366 HD13 0.08 -0.01 0.03 -0.04 0.88 0.95 1iveB1 SER 367 H 0.03 0.43 0.04 -0.55 8.46 8.42 1iveB1 SER 367 HA 0.02 -0.00 0.39 -0.75 4.49 4.14 1iveB1 SER 367 HB2 0.03 -0.02 0.05 -0.04 3.95 3.97 1iveB1 SER 367 HB3 0.04 0.16 0.16 -0.04 3.93 4.25 1iveB1 LYS 368 H 0.01 0.12 0.17 -0.55 8.42 8.17 1iveB1 LYS 368 HA 0.00 0.24 0.41 -0.75 4.32 4.22 1iveB1 LYS 368 HB2 -0.00 0.04 -0.05 -0.04 1.87 1.82 1iveB1 LYS 368 HB3 -0.00 -0.03 0.05 -0.04 1.79 1.78 1iveB1 LYS 368 HG2 0.00 -0.15 0.05 -0.04 1.46 1.32 1iveB1 LYS 368 HG3 0.00 0.10 -0.17 -0.04 1.46 1.35 1iveB1 LYS 368 HD2 -0.00 0.10 -0.20 -0.04 1.69 1.55 1iveB1 LYS 368 HD3 -0.00 -0.07 -0.05 -0.04 1.68 1.51 1iveB1 LYS 368 HE2 -0.00 0.00 -0.03 -0.04 2.99 2.92 1iveB1 LYS 368 HE3 -0.00 -0.07 -0.01 -0.04 2.99 2.87 1iveB1 ASP 369 H 0.01 -0.08 -0.27 -0.55 8.40 7.52 1iveB1 ASP 369 HA 0.01 0.19 0.60 -0.75 4.63 4.69 1iveB1 ASP 369 HB2 0.01 -0.12 0.13 -0.04 2.71 2.69 1iveB1 ASP 369 HB3 0.01 0.03 -0.02 -0.04 2.70 2.68 1iveB1 LEU 370 H 0.02 -0.04 0.05 -0.55 8.37 7.86 1iveB1 LEU 370 HA 0.03 0.26 0.85 -0.75 4.35 4.74 1iveB1 LEU 370 HB2 0.03 -0.03 -0.01 -0.04 1.64 1.58 1iveB1 LEU 370 HB3 0.04 -0.04 0.05 -0.04 1.64 1.65 1iveB1 LEU 370 HG 0.02 0.02 -0.02 -0.04 1.64 1.62 1iveB1 LEU 370 HD13 0.02 0.01 -0.13 -0.04 0.93 0.78 1iveB1 LEU 370 HD23 0.01 -0.02 -0.01 -0.04 0.89 0.83 1iveB1 ARG 371 H 0.06 0.13 0.06 -0.55 8.46 8.15 1iveB1 ARG 371 HA 0.08 0.23 0.50 -0.75 4.34 4.40 1iveB1 ARG 371 HB2 0.09 -0.02 0.17 -0.04 1.90 2.09 1iveB1 ARG 371 HB3 0.11 0.01 0.19 -0.04 1.80 2.08 1iveB1 ARG 371 HG2 0.17 -0.07 0.04 -0.04 1.67 1.76 1iveB1 ARG 371 HG3 0.12 0.09 0.02 -0.04 1.67 1.85 1iveB1 ARG 371 HD2 0.14 0.09 0.05 -0.04 3.22 3.46 1iveB1 ARG 371 HD3 0.10 0.01 0.02 -0.04 3.22 3.31 1iveB1 SER 372 H 0.07 0.55 -0.11 -0.55 8.46 8.42 1iveB1 SER 372 HA 0.09 -0.02 1.11 -0.75 4.49 4.92 1iveB1 SER 372 HB2 0.05 -0.09 -0.05 -0.04 3.95 3.82 1iveB1 SER 372 HB3 0.06 0.21 -0.12 -0.04 3.93 4.03 1iveB1 GLY 373 H 0.11 0.59 0.22 -0.55 8.43 8.80 1iveB1 GLY 373 HA2 0.13 0.08 0.06 -0.51 4.01 3.77 1iveB1 GLY 373 HA3 0.10 -0.03 0.51 -0.51 4.01 4.07 1iveB1 TYR 374 H 0.20 0.53 0.28 -0.55 8.29 8.75 1iveB1 TYR 374 HA 0.06 0.36 0.44 -0.75 4.56 4.66 1iveB1 TYR 374 HB2 0.11 0.04 -0.16 -0.04 3.06 3.01 1iveB1 TYR 374 HB3 0.12 -0.20 -0.00 -0.04 2.98 2.86 1iveB1 TYR 374 HD2 0.08 -0.03 -0.20 -0.04 7.15 6.96 1iveB1 TYR 374 HE2 -0.05 0.04 -0.17 -0.04 6.85 6.63 1iveB1 GLU 375 H -0.53 0.80 0.29 -0.55 8.60 8.62 1iveB1 GLU 375 HA 0.10 0.15 1.04 -0.75 4.29 4.82 1iveB1 GLU 375 HB2 0.13 0.08 0.02 -0.04 2.09 2.27 1iveB1 GLU 375 HB3 0.07 -0.08 -0.05 -0.04 1.99 1.88 1iveB1 GLU 375 HG2 -0.04 -0.03 -0.43 -0.04 2.34 1.79 1iveB1 GLU 375 HG3 -0.15 -0.01 -0.08 -0.04 2.34 2.06 1iveB1 THR 376 H 0.12 0.53 0.37 -0.55 8.28 8.76 1iveB1 THR 376 HA -0.31 0.35 0.95 -0.75 4.39 4.63 1iveB1 THR 376 HB 0.35 0.05 0.06 -0.04 4.32 4.73 1iveB1 THR 376 HG23 0.16 -0.03 -0.18 -0.04 1.22 1.13 1iveB1 PHE 377 H -0.41 0.63 0.29 -0.55 8.34 8.30 1iveB1 PHE 377 HA 0.15 0.18 -0.20 -0.75 4.62 3.99 1iveB1 PHE 377 HB2 -0.06 0.20 0.07 -0.04 3.15 3.32 1iveB1 PHE 377 HB3 0.02 -0.02 0.30 -0.04 3.06 3.32 1iveB1 PHE 377 HD2 -0.08 -0.01 -0.54 -0.04 7.28 6.62 1iveB1 PHE 377 HE2 -0.10 -0.02 -0.27 -0.04 7.38 6.95 1iveB1 PHE 377 HZ -0.11 0.07 -0.29 -0.04 7.32 6.96 1iveB1 LYS 378 H -0.03 0.49 -0.01 -0.55 8.42 8.30 1iveB1 LYS 378 HA -0.47 0.31 1.10 -0.75 4.32 4.50 1iveB1 LYS 378 HB2 -2.38 0.04 -0.04 -0.04 1.87 -0.55 1iveB1 LYS 378 HB3 -0.68 -0.09 -0.03 -0.04 1.79 0.95 1iveB1 LYS 378 HG2 -0.43 -0.14 -0.40 -0.04 1.46 0.45 1iveB1 LYS 378 HG3 -0.66 0.15 -0.08 -0.04 1.46 0.83 1iveB1 LYS 378 HD2 -0.50 -0.09 -0.10 -0.04 1.69 0.96 1iveB1 LYS 378 HD3 -1.74 0.06 -0.12 -0.04 1.68 -0.16 1iveB1 LYS 378 HE2 -0.49 0.01 -0.07 -0.04 2.99 2.40 1iveB1 LYS 378 HE3 -0.26 -0.07 -0.08 -0.04 2.99 2.55 1iveB1 VAL 379 H -0.12 0.69 0.22 -0.55 8.24 8.48 1iveB1 VAL 379 HA -0.07 0.25 0.79 -0.75 4.13 4.35 1iveB1 VAL 379 HB -0.01 -0.20 0.08 -0.04 2.12 1.95 1iveB1 VAL 379 HG13 -0.04 0.08 -0.25 -0.04 0.97 0.72 1iveB1 VAL 379 HG23 0.14 0.04 -0.14 -0.04 0.95 0.95 1iveB1 ILE 380 H -0.10 0.79 0.25 -0.55 8.25 8.64 1iveB1 ILE 380 HA -0.08 0.02 0.72 -0.75 4.18 4.08 1iveB1 ILE 380 HB -0.05 -0.00 0.16 -0.04 1.89 1.96 1iveB1 ILE 380 HG12 -0.09 0.17 0.10 -0.04 1.49 1.62 1iveB1 ILE 380 HG13 -0.06 0.01 0.00 -0.04 1.21 1.12 1iveB1 ILE 380 HG23 -0.04 0.00 0.02 -0.04 0.93 0.88 1iveB1 ILE 380 HD13 -0.10 -0.01 -0.04 -0.04 0.88 0.69 1iveB1 GLY 381 H -0.01 0.14 0.15 -0.55 8.43 8.16 1iveB1 GLY 381 HA2 0.02 0.09 0.39 -0.51 4.01 4.00 1iveB1 GLY 381 HA3 -0.01 0.11 0.41 -0.51 4.01 4.01 1iveB1 GLY 382 H -0.01 0.23 -0.85 -0.55 8.43 7.25 1iveB1 GLY 382 HA2 -0.00 0.04 0.17 -0.51 4.01 3.71 1iveB1 GLY 382 HA3 0.03 0.04 0.21 -0.51 4.01 3.78 1iveB1 TRP 383 H 0.19 0.19 -0.59 -0.55 7.97 7.21 1iveB1 TRP 383 HE1 0.04 -0.01 -0.06 -0.04 10.20 10.13 1iveB1 TRP 383 HA 0.01 0.05 0.56 -0.75 4.62 4.48 1iveB1 TRP 383 HB2 0.01 0.11 -0.37 -0.04 3.23 2.94 1iveB1 TRP 383 HB3 0.01 0.01 -0.14 -0.04 3.23 3.07 1iveB1 TRP 383 HD1 0.03 0.02 -0.06 -0.04 7.22 7.17 1iveB1 TRP 383 HE3 0.04 -0.02 -0.12 -0.04 7.59 7.44 1iveB1 TRP 383 HZ2 0.04 -0.00 -0.05 -0.04 7.44 7.38 1iveB1 TRP 383 HZ3 0.06 0.01 -0.10 -0.04 7.13 7.07 1iveB1 TRP 383 HH2 0.04 0.00 -0.09 -0.04 7.19 7.10 1iveB1 SER 384 H 0.04 0.27 0.06 -0.55 8.46 8.28 1iveB1 SER 384 HA -0.22 0.15 0.22 -0.75 4.49 3.87 1iveB1 SER 384 HB2 0.06 -0.02 0.17 -0.04 3.95 4.12 1iveB1 SER 384 HB3 -0.00 -0.01 -0.05 -0.04 3.93 3.83 1iveB1 THR 385 H -0.07 0.48 0.02 -0.55 8.28 8.17 1iveB1 THR 385 HA -0.07 0.38 1.25 -0.75 4.39 5.20 1iveB1 THR 385 HB -0.04 0.07 0.05 -0.04 4.32 4.36 1iveB1 THR 385 HG23 -0.02 0.01 -0.07 -0.04 1.22 1.11 1iveB1 PRO 386 HA -0.09 0.10 -0.14 -0.51 4.44 3.80 1iveB1 PRO 386 HB2 -0.06 -0.01 0.10 -0.04 2.28 2.27 1iveB1 PRO 386 HB3 -0.07 0.10 0.16 -0.04 2.02 2.17 1iveB1 PRO 386 HG2 -0.05 0.00 0.09 -0.04 2.03 2.03 1iveB1 PRO 386 HG3 -0.07 0.12 0.07 -0.04 2.03 2.10 1iveB1 PRO 386 HD2 -0.05 0.07 0.11 -0.04 3.68 3.77 1iveB1 PRO 386 HD3 -0.06 0.17 0.33 -0.04 3.65 4.05 1iveB1 ASN 387 H -0.06 0.09 -0.20 -0.55 8.53 7.82 1iveB1 ASN 387 HD21 -0.04 0.12 0.17 -0.04 7.03 7.24 1iveB1 ASN 387 HD22 -0.04 -0.06 0.07 -0.04 7.74 7.66 1iveB1 ASN 387 HA -0.05 0.26 0.18 -0.75 4.76 4.40 1iveB1 ASN 387 HB2 -0.05 0.34 0.15 -0.04 2.88 3.27 1iveB1 ASN 387 HB3 -0.04 -0.13 -0.01 -0.04 2.79 2.56 1iveB1 SER 388 H -0.05 0.30 0.03 -0.55 8.46 8.20 1iveB1 SER 388 HA -0.04 -0.01 0.30 -0.75 4.49 3.98 1iveB1 SER 388 HB2 -0.04 0.04 -0.03 -0.04 3.95 3.88 1iveB1 SER 388 HB3 -0.04 0.01 0.07 -0.04 3.93 3.94 1iveB1 LYS 389 H -0.05 0.17 0.17 -0.55 8.42 8.16 1iveB1 LYS 389 HA -0.07 0.14 0.72 -0.75 4.32 4.36 1iveB1 LYS 389 HB2 -0.06 -0.03 0.15 -0.04 1.87 1.89 1iveB1 LYS 389 HB3 -0.07 0.02 0.18 -0.04 1.79 1.87 1iveB1 LYS 389 HG2 -0.05 -0.05 -0.31 -0.04 1.46 1.01 1iveB1 LYS 389 HG3 -0.05 0.06 -0.02 -0.04 1.46 1.41 1iveB1 LYS 389 HD2 -0.05 -0.06 0.07 -0.04 1.69 1.61 1iveB1 LYS 389 HD3 -0.05 -0.02 0.02 -0.04 1.68 1.58 1iveB1 LYS 389 HE2 -0.04 -0.01 -0.13 -0.04 2.99 2.77 1iveB1 LYS 389 HE3 -0.04 -0.06 0.05 -0.04 2.99 2.90 1iveB1 SER 390 H -0.06 0.11 -0.12 -0.55 8.46 7.84 1iveB1 SER 390 HA -0.08 0.19 0.71 -0.75 4.49 4.55 1iveB1 SER 390 HB2 -0.05 -0.00 0.16 -0.04 3.95 4.01 1iveB1 SER 390 HB3 -0.06 -0.09 0.18 -0.04 3.93 3.91 1iveB1 GLN 391 H -0.14 0.28 0.22 -0.55 8.47 8.29 1iveB1 GLN 391 HE21 -0.39 -0.00 -0.06 -0.04 6.97 6.47 1iveB1 GLN 391 HE22 -0.46 0.01 -0.03 -0.04 7.69 7.17 1iveB1 GLN 391 HA -0.13 0.20 1.15 -0.75 4.36 4.82 1iveB1 GLN 391 HB2 -0.44 0.11 -0.04 -0.04 2.15 1.74 1iveB1 GLN 391 HB3 -0.42 -0.05 -0.09 -0.04 2.02 1.42 1iveB1 GLN 391 HG2 -0.36 0.03 0.05 -0.04 2.40 2.08 1iveB1 GLN 391 HG3 -0.22 -0.05 0.14 -0.04 2.39 2.22 1iveB1 ILE 392 H -0.11 0.55 0.36 -0.55 8.25 8.50 1iveB1 ILE 392 HA -0.04 0.17 0.75 -0.75 4.18 4.31 1iveB1 ILE 392 HB -0.07 0.00 0.01 -0.04 1.89 1.80 1iveB1 ILE 392 HG12 0.01 -0.33 0.24 -0.04 1.49 1.36 1iveB1 ILE 392 HG13 -0.02 0.07 0.14 -0.04 1.21 1.37 1iveB1 ILE 392 HG23 -0.14 0.02 -0.01 -0.04 0.93 0.75 1iveB1 ILE 392 HD13 -0.01 0.01 0.04 -0.04 0.88 0.88 1iveB1 ASN 393 H 0.04 0.13 0.16 -0.55 8.53 8.31 1iveB1 ASN 393 HD21 0.17 -0.01 0.01 -0.04 7.03 7.16 1iveB1 ASN 393 HD22 0.07 -0.02 -0.07 -0.04 7.74 7.67 1iveB1 ASN 393 HA 0.17 0.06 0.39 -0.75 4.76 4.62 1iveB1 ASN 393 HB2 0.08 -0.10 -0.15 -0.04 2.88 2.67 1iveB1 ASN 393 HB3 0.46 0.16 0.18 -0.04 2.79 3.55 1iveB1 ARG 394 H 0.13 -0.03 -0.21 -0.55 8.46 7.80 1iveB1 ARG 394 HA 0.31 0.18 0.42 -0.75 4.34 4.49 1iveB1 ARG 394 HB2 0.12 0.03 0.09 -0.04 1.90 2.09 1iveB1 ARG 394 HB3 0.11 -0.09 0.07 -0.04 1.80 1.85 1iveB1 ARG 394 HG2 0.13 -0.10 -0.09 -0.04 1.67 1.57 1iveB1 ARG 394 HG3 0.20 0.03 0.13 -0.04 1.67 2.00 1iveB1 ARG 394 HD2 0.30 0.12 -0.00 -0.04 3.22 3.60 1iveB1 ARG 394 HD3 0.06 -0.03 -0.02 -0.04 3.22 3.18 1iveB1 GLN 395 H 0.24 0.74 0.34 -0.55 8.47 9.25 1iveB1 GLN 395 HE21 -0.40 0.16 0.15 -0.04 6.97 6.84 1iveB1 GLN 395 HE22 0.03 -0.03 0.02 -0.04 7.69 7.67 1iveB1 GLN 395 HA 0.22 0.03 0.23 -0.75 4.36 4.09 1iveB1 GLN 395 HB2 0.24 -0.04 -0.01 -0.04 2.15 2.30 1iveB1 GLN 395 HB3 0.19 -0.06 -0.10 -0.04 2.02 2.01 1iveB1 GLN 395 HG2 0.26 -0.04 0.11 -0.04 2.40 2.68 1iveB1 GLN 395 HG3 0.32 0.40 0.29 -0.04 2.39 3.37 1iveB1 VAL 396 H 0.18 0.18 0.10 -0.55 8.24 8.15 1iveB1 VAL 396 HA 0.15 0.21 1.04 -0.75 4.13 4.78 1iveB1 VAL 396 HB 0.13 0.01 0.20 -0.04 2.12 2.42 1iveB1 VAL 396 HG13 0.12 0.03 -0.24 -0.04 0.97 0.84 1iveB1 VAL 396 HG23 0.10 0.00 -0.00 -0.04 0.95 1.01 1iveB1 ILE 397 H 0.21 0.53 0.18 -0.55 8.25 8.62 1iveB1 ILE 397 HA 0.27 0.11 0.47 -0.75 4.18 4.27 1iveB1 ILE 397 HB 0.27 0.01 -0.05 -0.04 1.89 2.08 1iveB1 ILE 397 HG12 0.18 0.03 -0.22 -0.04 1.49 1.44 1iveB1 ILE 397 HG13 0.05 0.01 -0.19 -0.04 1.21 1.04 1iveB1 ILE 397 HG23 -0.13 -0.00 -0.15 -0.04 0.93 0.60 1iveB1 ILE 397 HD13 -0.42 0.01 -0.31 -0.04 0.88 0.12 1iveB1 VAL 398 H 0.24 0.42 0.18 -0.55 8.24 8.53 1iveB1 VAL 398 HA 0.22 0.10 0.74 -0.75 4.13 4.44 1iveB1 VAL 398 HB 0.21 -0.10 -0.11 -0.04 2.12 2.08 1iveB1 VAL 398 HG13 0.15 0.07 -0.20 -0.04 0.97 0.94 1iveB1 VAL 398 HG23 0.21 0.04 -0.30 -0.04 0.95 0.86 1iveB1 ASP 399 H 0.11 0.14 -0.01 -0.55 8.40 8.10 1iveB1 ASP 399 HA 0.09 0.13 0.39 -0.75 4.63 4.49 1iveB1 ASP 399 HB2 0.05 -0.03 0.04 -0.04 2.71 2.72 1iveB1 ASP 399 HB3 0.05 0.11 0.04 -0.04 2.70 2.86 1iveB1 SER 400 H 0.06 0.18 0.18 -0.55 8.46 8.33 1iveB1 SER 400 HA 0.06 0.10 0.29 -0.75 4.49 4.18 1iveB1 SER 400 HB2 0.03 0.06 0.08 -0.04 3.95 4.08 1iveB1 SER 400 HB3 0.04 -0.01 0.17 -0.04 3.93 4.09 1iveB1 ASP 401 H 0.04 0.02 -0.35 -0.55 8.40 7.56 1iveB1 ASP 401 HA 0.03 0.14 0.06 -0.75 4.63 4.10 1iveB1 ASP 401 HB2 0.03 -0.01 0.07 -0.04 2.71 2.76 1iveB1 ASP 401 HB3 0.02 0.02 0.13 -0.04 2.70 2.83 1iveB1 ASN 402 H 0.06 0.51 -0.64 -0.55 8.53 7.91 1iveB1 ASN 402 HD21 0.05 0.01 -0.08 -0.04 7.03 6.97 1iveB1 ASN 402 HD22 0.06 -0.01 0.02 -0.04 7.74 7.76 1iveB1 ASN 402 HA 0.05 0.15 0.81 -0.75 4.76 5.02 1iveB1 ASN 402 HB2 0.09 0.07 -0.02 -0.04 2.88 2.99 1iveB1 ASN 402 HB3 0.09 0.02 -0.06 -0.04 2.79 2.80 1iveB1 ARG 403 H 0.07 0.07 0.21 -0.55 8.46 8.26 1iveB1 ARG 403 HA 0.08 0.07 0.70 -0.75 4.34 4.45 1iveB1 ARG 403 HB2 0.08 -0.11 0.21 -0.04 1.90 2.04 1iveB1 ARG 403 HB3 0.08 0.26 0.13 -0.04 1.80 2.23 1iveB1 ARG 403 HG2 0.05 0.02 0.07 -0.04 1.67 1.76 1iveB1 ARG 403 HG3 0.04 -0.09 0.11 -0.04 1.67 1.69 1iveB1 ARG 403 HD2 0.01 -0.08 0.07 -0.04 3.22 3.18 1iveB1 ARG 403 HD3 0.04 -0.06 0.16 -0.04 3.22 3.32 1iveB1 SER 404 H 0.11 0.59 0.50 -0.55 8.46 9.13 1iveB1 SER 404 HA 0.14 0.02 0.80 -0.75 4.49 4.69 1iveB1 SER 404 HB2 0.17 -0.04 0.10 -0.04 3.95 4.13 1iveB1 SER 404 HB3 0.19 -0.13 -0.21 -0.04 3.93 3.73 1iveB1 GLY 405 H 0.18 0.21 0.18 -0.55 8.43 8.45 1iveB1 GLY 405 HA2 0.19 0.03 0.18 -0.51 4.01 3.90 1iveB1 GLY 405 HA3 0.19 -0.08 0.84 -0.51 4.01 4.45 1iveB1 TYR 406 H 0.34 0.02 0.27 -0.55 8.29 8.37 1iveB1 TYR 406 HA 0.13 0.28 0.64 -0.75 4.56 4.86 1iveB1 TYR 406 HB2 0.18 -0.11 0.20 -0.04 3.06 3.29 1iveB1 TYR 406 HB3 0.20 -0.00 0.22 -0.04 2.98 3.36 1iveB1 TYR 406 HD2 0.14 0.03 0.13 -0.04 7.15 7.40 1iveB1 TYR 406 HE2 0.09 0.06 0.11 -0.04 6.85 7.07 1iveB1 SER 407 H 0.23 0.29 0.20 -0.55 8.46 8.63 1iveB1 SER 407 HA -0.28 0.11 0.78 -0.75 4.49 4.35 1iveB1 SER 407 HB2 0.26 -0.06 -0.04 -0.04 3.95 4.07 1iveB1 SER 407 HB3 -0.05 0.01 -0.01 -0.04 3.93 3.85 1iveB1 GLY 408 H -0.67 0.43 0.33 -0.55 8.43 7.98 1iveB1 GLY 408 HA2 0.18 0.15 0.40 -0.51 4.01 4.23 1iveB1 GLY 408 HA3 0.03 0.10 0.37 -0.51 4.01 4.00 1iveB1 ILE 409 H 0.14 0.21 0.30 -0.55 8.25 8.34 1iveB1 ILE 409 HA -0.30 0.18 0.90 -0.75 4.18 4.21 1iveB1 ILE 409 HB 0.04 -0.08 -0.04 -0.04 1.89 1.77 1iveB1 ILE 409 HG12 -0.28 0.08 0.21 -0.04 1.49 1.46 1iveB1 ILE 409 HG13 -0.48 -0.03 0.01 -0.04 1.21 0.67 1iveB1 ILE 409 HG23 0.19 0.02 0.05 -0.04 0.93 1.14 1iveB1 ILE 409 HD13 -0.37 -0.00 -0.06 -0.04 0.88 0.41 1iveB1 PHE 410 H -0.17 0.88 0.47 -0.55 8.34 8.96 1iveB1 PHE 410 HA 0.01 0.11 0.10 -0.75 4.62 4.09 1iveB1 PHE 410 HB2 0.12 -0.07 0.13 -0.04 3.15 3.29 1iveB1 PHE 410 HB3 0.15 0.21 0.31 -0.04 3.06 3.70 1iveB1 PHE 410 HD2 0.12 0.03 -0.32 -0.04 7.28 7.06 1iveB1 PHE 410 HE2 0.07 0.02 -0.25 -0.04 7.38 7.18 1iveB1 PHE 410 HZ 0.19 -0.01 -0.20 -0.04 7.32 7.25 1iveB1 SER 411 H 0.17 0.19 0.19 -0.55 8.46 8.47 1iveB1 SER 411 HA -0.19 0.28 1.17 -0.75 4.49 4.99 1iveB1 SER 411 HB2 -0.50 -0.03 0.08 -0.04 3.95 3.46 1iveB1 SER 411 HB3 -0.29 0.08 0.01 -0.04 3.93 3.69 1iveB1 VAL 412 H -0.01 0.60 0.23 -0.55 8.24 8.51 1iveB1 VAL 412 HA 0.38 0.17 0.93 -0.75 4.13 4.86 1iveB1 VAL 412 HB 0.16 0.06 -0.02 -0.04 2.12 2.28 1iveB1 VAL 412 HG13 0.31 0.02 -0.37 -0.04 0.97 0.89 1iveB1 VAL 412 HG23 -0.00 -0.00 -0.13 -0.04 0.95 0.77 1iveB1 GLU 413 H 0.13 0.17 0.11 -0.55 8.60 8.46 1iveB1 GLU 413 HA 0.15 -0.04 0.84 -0.75 4.29 4.49 1iveB1 GLU 413 HB2 -0.13 -0.05 0.11 -0.04 2.09 1.98 1iveB1 GLU 413 HB3 -0.17 0.01 0.15 -0.04 1.99 1.94 1iveB1 GLU 413 HG2 -0.01 0.36 -0.11 -0.04 2.34 2.54 1iveB1 GLU 413 HG3 0.11 -0.06 -0.08 -0.04 2.34 2.27 1iveB1 GLY 414 H 0.03 0.37 0.45 -0.55 8.43 8.73 1iveB1 GLY 414 HA2 -0.01 0.15 0.71 -0.51 4.01 4.35 1iveB1 GLY 414 HA3 -0.01 -0.08 0.41 -0.51 4.01 3.81 1iveB1 LYS 415 H -0.01 0.10 0.16 -0.55 8.42 8.12 1iveB1 LYS 415 HA -0.02 0.15 0.29 -0.75 4.32 3.98 1iveB1 LYS 415 HB2 -0.01 -0.04 -0.00 -0.04 1.87 1.77 1iveB1 LYS 415 HB3 -0.02 0.04 0.06 -0.04 1.79 1.83 1iveB1 LYS 415 HG2 -0.02 0.06 0.03 -0.04 1.46 1.49 1iveB1 LYS 415 HG3 -0.01 -0.05 0.10 -0.04 1.46 1.45 1iveB1 LYS 415 HD2 -0.01 -0.02 0.02 -0.04 1.69 1.64 1iveB1 LYS 415 HD3 -0.01 0.02 0.02 -0.04 1.68 1.66 1iveB1 LYS 415 HE2 -0.01 -0.01 0.01 -0.04 2.99 2.95 1iveB1 LYS 415 HE3 -0.01 0.03 0.01 -0.04 2.99 2.98 1iveB1 SER 416 H -0.01 -0.10 -0.18 -0.55 8.46 7.63 1iveB1 SER 416 HA -0.01 0.23 0.87 -0.75 4.49 4.83 1iveB1 SER 416 HB2 -0.00 0.03 -0.05 -0.04 3.95 3.88 1iveB1 SER 416 HB3 -0.01 0.02 -0.07 -0.04 3.93 3.83 1iveB1 CYS 417 H -0.00 -0.11 0.06 -0.55 8.50 7.90 1iveB1 CYS 417 HA 0.01 0.30 0.70 -0.75 4.58 4.84 1iveB1 CYS 417 HB2 0.00 0.12 -0.28 -0.04 2.97 2.77 1iveB1 CYS 417 HB3 0.00 0.01 -0.13 -0.04 2.97 2.82 1iveB1 ILE 418 H 0.03 0.90 0.19 -0.55 8.25 8.82 1iveB1 ILE 418 HA 0.06 -0.02 1.06 -0.75 4.18 4.53 1iveB1 ILE 418 HB 0.32 -0.05 -0.02 -0.04 1.89 2.10 1iveB1 ILE 418 HG12 0.09 0.14 0.00 -0.04 1.49 1.67 1iveB1 ILE 418 HG13 -0.01 -0.10 0.02 -0.04 1.21 1.08 1iveB1 ILE 418 HG23 0.20 0.06 -0.18 -0.04 0.93 0.97 1iveB1 ILE 418 HD13 -0.10 0.02 -0.24 -0.04 0.88 0.52 1iveB1 ASN 419 H 0.01 0.67 0.30 -0.55 8.53 8.97 1iveB1 ASN 419 HD21 -0.16 -0.02 0.18 -0.04 7.03 6.99 1iveB1 ASN 419 HD22 -0.23 -0.07 -0.12 -0.04 7.74 7.28 1iveB1 ASN 419 HA -0.13 0.13 0.81 -0.75 4.76 4.82 1iveB1 ASN 419 HB2 -0.08 -0.05 0.03 -0.04 2.88 2.74 1iveB1 ASN 419 HB3 -0.12 0.01 -0.00 -0.04 2.79 2.63 1iveB1 ARG 420 H -0.24 0.23 0.25 -0.55 8.46 8.14 1iveB1 ARG 420 HA -0.43 0.21 0.86 -0.75 4.34 4.23 1iveB1 ARG 420 HB2 -0.72 -0.02 0.08 -0.04 1.90 1.20 1iveB1 ARG 420 HB3 -0.89 0.06 0.04 -0.04 1.80 0.96 1iveB1 ARG 420 HG2 -0.44 -0.10 -0.24 -0.04 1.67 0.85 1iveB1 ARG 420 HG3 -0.72 0.04 0.02 -0.04 1.67 0.97 1iveB1 ARG 420 HD2 -0.75 0.01 -0.06 -0.04 3.22 2.37 1iveB1 ARG 420 HD3 -1.57 0.02 -0.07 -0.04 3.22 1.55 1iveB1 CYS 421 H -0.59 0.81 0.53 -0.55 8.50 8.70 1iveB1 CYS 421 HA -0.55 0.08 0.89 -0.75 4.58 4.24 1iveB1 CYS 421 HB2 -2.43 0.01 -0.08 -0.04 2.97 0.43 1iveB1 CYS 421 HB3 -1.01 0.07 0.08 -0.04 2.97 2.06 1iveB1 PHE 422 H -0.76 0.54 0.34 -0.55 8.34 7.91 1iveB1 PHE 422 HA -0.33 0.13 0.96 -0.75 4.62 4.63 1iveB1 PHE 422 HB2 -1.30 0.24 0.09 -0.04 3.15 2.14 1iveB1 PHE 422 HB3 -1.63 -0.04 -0.38 -0.04 3.06 0.96 1iveB1 PHE 422 HD2 -0.99 0.04 -0.32 -0.04 7.28 5.97 1iveB1 PHE 422 HE2 -0.93 -0.02 -0.25 -0.04 7.38 6.13 1iveB1 PHE 422 HZ -0.27 -0.03 -0.21 -0.04 7.32 6.77 1iveB1 TYR 423 H -0.27 0.56 0.34 -0.55 8.29 8.37 1iveB1 TYR 423 HA -0.02 0.19 1.04 -0.75 4.56 5.01 1iveB1 TYR 423 HB2 0.09 0.02 -0.04 -0.04 3.06 3.08 1iveB1 TYR 423 HB3 0.14 -0.04 -0.15 -0.04 2.98 2.88 1iveB1 TYR 423 HD2 0.20 -0.01 -0.35 -0.04 7.15 6.94 1iveB1 TYR 423 HE2 0.20 0.09 -0.20 -0.04 6.85 6.90 1iveB1 VAL 424 H 0.15 0.41 0.26 -0.55 8.24 8.51 1iveB1 VAL 424 HA -0.02 0.25 1.03 -0.75 4.13 4.63 1iveB1 VAL 424 HB -0.42 0.13 0.04 -0.04 2.12 1.83 1iveB1 VAL 424 HG13 -0.09 -0.03 -0.19 -0.04 0.97 0.62 1iveB1 VAL 424 HG23 0.02 0.00 -0.23 -0.04 0.95 0.70 1iveB1 GLU 425 H 0.21 0.65 -0.01 -0.55 8.60 8.90 1iveB1 GLU 425 HA 0.20 0.15 0.81 -0.75 4.29 4.69 1iveB1 GLU 425 HB2 0.23 0.03 0.07 -0.04 2.09 2.38 1iveB1 GLU 425 HB3 0.27 0.01 0.10 -0.04 1.99 2.33 1iveB1 GLU 425 HG2 0.13 -0.03 -0.25 -0.04 2.34 2.15 1iveB1 GLU 425 HG3 0.12 0.02 -0.17 -0.04 2.34 2.27 1iveB1 LEU 426 H 0.14 0.48 0.14 -0.55 8.37 8.59 1iveB1 LEU 426 HA 0.13 0.18 0.80 -0.75 4.35 4.71 1iveB1 LEU 426 HB2 0.12 -0.21 0.14 -0.04 1.64 1.65 1iveB1 LEU 426 HB3 0.13 0.12 0.08 -0.04 1.64 1.92 1iveB1 LEU 426 HG 0.13 0.08 -0.18 -0.04 1.64 1.63 1iveB1 LEU 426 HD13 0.14 -0.11 -0.06 -0.04 0.93 0.86 1iveB1 LEU 426 HD23 0.14 0.04 -0.10 -0.04 0.89 0.93 1iveB1 ILE 427 H 0.12 0.40 -0.09 -0.55 8.25 8.13 1iveB1 ILE 427 HA 0.13 0.07 0.91 -0.75 4.18 4.55 1iveB1 ILE 427 HB 0.09 -0.04 0.01 -0.04 1.89 1.90 1iveB1 ILE 427 HG12 0.06 -0.03 0.04 -0.04 1.49 1.51 1iveB1 ILE 427 HG13 0.07 -0.04 -0.26 -0.04 1.21 0.94 1iveB1 ILE 427 HG23 0.09 0.06 0.12 -0.04 0.93 1.15 1iveB1 ILE 427 HD13 0.09 0.05 0.05 -0.04 0.88 1.03 1iveB1 ARG 428 H 0.19 0.72 0.41 -0.55 8.46 9.23 1iveB1 ARG 428 HA 0.09 0.16 0.93 -0.75 4.34 4.76 1iveB1 ARG 428 HB2 0.40 0.01 -0.07 -0.04 1.90 2.20 1iveB1 ARG 428 HB3 0.30 -0.10 0.06 -0.04 1.80 2.01 1iveB1 ARG 428 HG2 0.17 0.02 -0.31 -0.04 1.67 1.51 1iveB1 ARG 428 HG3 0.20 -0.07 -0.09 -0.04 1.67 1.67 1iveB1 ARG 428 HD2 0.09 0.23 0.24 -0.04 3.22 3.74 1iveB1 ARG 428 HD3 0.10 -0.07 -0.03 -0.04 3.22 3.18 1iveB1 GLY 429 H -0.10 -0.00 0.17 -0.55 8.43 7.96 1iveB1 GLY 429 HA2 -0.59 -0.07 0.37 -0.51 4.01 3.21 1iveB1 GLY 429 HA3 -0.88 0.17 0.65 -0.51 4.01 3.44 1iveB1 ARG 430 H -0.35 0.51 0.17 -0.55 8.46 8.24 1iveB1 ARG 430 HA -0.23 0.51 -0.35 -0.75 4.34 3.52 1iveB1 ARG 430 HB2 -0.20 0.02 -0.20 -0.04 1.90 1.48 1iveB1 ARG 430 HB3 -0.14 -0.33 -0.22 -0.04 1.80 1.07 1iveB1 ARG 430 HG2 -0.36 0.21 0.18 -0.04 1.67 1.65 1iveB1 ARG 430 HG3 -0.31 -0.06 0.14 -0.04 1.67 1.39 1iveB1 ARG 430 HD2 -0.19 -0.13 0.05 -0.04 3.22 2.91 1iveB1 ARG 430 HD3 -0.21 0.13 0.05 -0.04 3.22 3.15 1iveB1 LYS 431 H -0.11 0.07 0.03 -0.55 8.42 7.85 1iveB1 LYS 431 HA -0.08 0.03 0.30 -0.75 4.32 3.81 1iveB1 LYS 431 HB2 -0.04 0.22 -0.05 -0.04 1.87 1.95 1iveB1 LYS 431 HB3 -0.04 0.01 0.02 -0.04 1.79 1.74 1iveB1 LYS 431 HG2 -0.05 0.00 0.19 -0.04 1.46 1.56 1iveB1 LYS 431 HG3 -0.02 0.02 0.09 -0.04 1.46 1.51 1iveB1 LYS 431 HD2 -0.02 0.00 0.04 -0.04 1.69 1.68 1iveB1 LYS 431 HD3 -0.04 0.00 0.05 -0.04 1.68 1.65 1iveB1 LYS 431 HE2 -0.05 -0.00 0.07 -0.04 2.99 2.97 1iveB1 LYS 431 HE3 -0.02 -0.01 0.04 -0.04 2.99 2.96 1iveB1 GLN 432 H -0.07 0.31 -0.30 -0.55 8.47 7.87 1iveB1 GLN 432 HE21 0.01 -0.01 -0.02 -0.04 6.97 6.91 1iveB1 GLN 432 HE22 -0.01 -0.03 -0.04 -0.04 7.69 7.57 1iveB1 GLN 432 HA -0.06 0.01 -0.15 -0.75 4.36 3.41 1iveB1 GLN 432 HB2 -0.03 0.02 0.07 -0.04 2.15 2.18 1iveB1 GLN 432 HB3 -0.05 -0.00 0.15 -0.04 2.02 2.08 1iveB1 GLN 432 HG2 -0.04 -0.03 -0.25 -0.04 2.40 2.04 1iveB1 GLN 432 HG3 -0.03 -0.02 -0.06 -0.04 2.39 2.25 1iveB1 GLU 433 H -0.11 0.33 0.01 -0.55 8.60 8.28 1iveB1 GLU 433 HA -0.12 0.04 0.81 -0.75 4.29 4.26 1iveB1 GLU 433 HB2 -0.21 -0.07 0.17 -0.04 2.09 1.94 1iveB1 GLU 433 HB3 -0.13 -0.06 0.18 -0.04 1.99 1.94 1iveB1 GLU 433 HG2 -0.06 0.03 0.05 -0.04 2.34 2.33 1iveB1 GLU 433 HG3 -0.07 0.08 0.14 -0.04 2.34 2.45 1iveB1 THR 434 H -0.17 0.15 0.15 -0.55 8.28 7.86 1iveB1 THR 434 HA -0.36 0.36 0.99 -0.75 4.39 4.64 1iveB1 THR 434 HB -0.35 -0.00 0.12 -0.04 4.32 4.05 1iveB1 THR 434 HG23 -0.18 0.07 -0.18 -0.04 1.22 0.89 1iveB1 ARG 435 H -0.20 -0.02 0.10 -0.55 8.46 7.79 1iveB1 ARG 435 HA -0.15 0.10 0.54 -0.75 4.34 4.08 1iveB1 ARG 435 HB2 -0.07 0.01 0.11 -0.04 1.90 1.91 1iveB1 ARG 435 HB3 -0.11 -0.11 0.13 -0.04 1.80 1.67 1iveB1 ARG 435 HG2 -0.02 0.03 -0.19 -0.04 1.67 1.44 1iveB1 ARG 435 HG3 -0.01 0.04 -0.18 -0.04 1.67 1.48 1iveB1 ARG 435 HD2 -0.01 -0.04 -0.03 -0.04 3.22 3.10 1iveB1 ARG 435 HD3 0.01 -0.06 -0.24 -0.04 3.22 2.89 1iveB1 VAL 436 H -0.33 -0.04 -0.36 -0.55 8.24 6.97 1iveB1 VAL 436 HA -0.04 0.17 0.68 -0.75 4.13 4.18 1iveB1 VAL 436 HB -0.16 0.10 0.11 -0.04 2.12 2.13 1iveB1 VAL 436 HG13 0.03 -0.01 -0.17 -0.04 0.97 0.78 1iveB1 VAL 436 HG23 -1.40 -0.04 -0.16 -0.04 0.95 -0.69 1iveB1 TRP 437 H 0.04 0.11 0.18 -0.55 7.97 7.75 1iveB1 TRP 437 HE1 -0.00 0.11 0.01 -0.04 10.20 10.27 1iveB1 TRP 437 HA -0.13 0.27 0.71 -0.75 4.62 4.71 1iveB1 TRP 437 HB2 0.06 0.01 0.09 -0.04 3.23 3.35 1iveB1 TRP 437 HB3 0.01 -0.12 0.22 -0.04 3.23 3.30 1iveB1 TRP 437 HD1 0.02 -0.03 0.05 -0.04 7.22 7.22 1iveB1 TRP 437 HE3 -0.00 -0.08 0.08 -0.04 7.59 7.54 1iveB1 TRP 437 HZ2 -0.00 0.00 0.01 -0.04 7.44 7.40 1iveB1 TRP 437 HZ3 0.00 -0.02 0.03 -0.04 7.13 7.10 1iveB1 TRP 437 HH2 -0.00 -0.02 0.01 -0.04 7.19 7.14 1iveB1 TRP 438 H -0.65 -0.01 -0.02 -0.55 7.97 6.74 1iveB1 TRP 438 HE1 0.08 0.44 0.04 -0.04 10.20 10.72 1iveB1 TRP 438 HA 0.11 0.23 0.83 -0.75 4.62 5.03 1iveB1 TRP 438 HB2 0.08 0.03 -0.02 -0.04 3.23 3.28 1iveB1 TRP 438 HB3 0.10 0.05 -0.09 -0.04 3.23 3.25 1iveB1 TRP 438 HD1 0.12 -0.03 -0.02 -0.04 7.22 7.25 1iveB1 TRP 438 HE3 0.06 0.03 -0.57 -0.04 7.59 7.06 1iveB1 TRP 438 HZ2 0.05 0.03 -0.07 -0.04 7.44 7.42 1iveB1 TRP 438 HZ3 0.05 -0.01 -0.30 -0.04 7.13 6.83 1iveB1 TRP 438 HH2 0.05 -0.06 -0.13 -0.04 7.19 7.00 1iveB1 THR 439 H 0.38 0.26 0.12 -0.55 8.28 8.49 1iveB1 THR 439 HA 0.30 0.18 0.93 -0.75 4.39 5.04 1iveB1 THR 439 HB 0.11 0.04 -0.24 -0.04 4.32 4.19 1iveB1 THR 439 HG23 0.08 0.05 -0.12 -0.04 1.22 1.18 1iveB1 SER 440 H 0.52 0.36 0.17 -0.55 8.46 8.96 1iveB1 SER 440 HA 0.17 0.42 0.85 -0.75 4.49 5.19 1iveB1 SER 440 HB2 0.08 -0.01 -0.15 -0.04 3.95 3.83 1iveB1 SER 440 HB3 0.09 -0.03 -0.05 -0.04 3.93 3.91 1iveB1 ASN 441 H 0.13 0.12 0.11 -0.55 8.53 8.34 1iveB1 ASN 441 HD21 0.12 -0.04 -0.16 -0.04 7.03 6.90 1iveB1 ASN 441 HD22 0.13 0.33 -0.00 -0.04 7.74 8.15 1iveB1 ASN 441 HA 0.16 0.14 0.59 -0.75 4.76 4.89 1iveB1 ASN 441 HB2 0.12 0.06 -0.16 -0.04 2.88 2.86 1iveB1 ASN 441 HB3 0.11 0.02 -0.18 -0.04 2.79 2.70 1iveB1 SER 442 H 0.12 0.75 0.30 -0.55 8.46 9.10 1iveB1 SER 442 HA 0.09 0.13 0.17 -0.75 4.49 4.13 1iveB1 SER 442 HB2 0.07 -0.21 0.24 -0.04 3.95 4.01 1iveB1 SER 442 HB3 0.09 -0.06 0.10 -0.04 3.93 4.02 1iveB1 ILE 443 H 0.06 0.01 0.19 -0.55 8.25 7.96 1iveB1 ILE 443 HA 0.12 0.26 0.46 -0.75 4.18 4.27 1iveB1 ILE 443 HB 0.13 0.10 0.09 -0.04 1.89 2.18 1iveB1 ILE 443 HG12 0.01 -0.08 -0.12 -0.04 1.49 1.25 1iveB1 ILE 443 HG13 0.01 -0.08 -0.35 -0.04 1.21 0.74 1iveB1 ILE 443 HG23 0.12 0.00 -0.25 -0.04 0.93 0.76 1iveB1 ILE 443 HD13 -0.01 0.03 -0.20 -0.04 0.88 0.66 1iveB1 VAL 444 H 0.11 0.46 0.29 -0.55 8.24 8.55 1iveB1 VAL 444 HA 0.01 0.17 0.85 -0.75 4.13 4.41 1iveB1 VAL 444 HB 0.13 -0.04 -0.10 -0.04 2.12 2.07 1iveB1 VAL 444 HG13 0.16 -0.00 -0.11 -0.04 0.97 0.98 1iveB1 VAL 444 HG23 0.08 0.03 0.13 -0.04 0.95 1.15 1iveB1 VAL 445 H -0.06 0.69 0.33 -0.55 8.24 8.65 1iveB1 VAL 445 HA -0.03 0.20 0.64 -0.75 4.13 4.18 1iveB1 VAL 445 HB 0.21 0.13 0.13 -0.04 2.12 2.55 1iveB1 VAL 445 HG13 0.04 0.00 -0.41 -0.04 0.97 0.56 1iveB1 VAL 445 HG23 0.29 -0.02 -0.14 -0.04 0.95 1.04 1iveB1 PHE 446 H -0.44 0.59 0.29 -0.55 8.34 8.22 1iveB1 PHE 446 HA -0.27 0.13 0.82 -0.75 4.62 4.55 1iveB1 PHE 446 HB2 -1.15 -0.02 -0.09 -0.04 3.15 1.85 1iveB1 PHE 446 HB3 -0.36 0.03 -0.34 -0.04 3.06 2.35 1iveB1 PHE 446 HD2 -0.21 -0.05 -0.65 -0.04 7.28 6.33 1iveB1 PHE 446 HE2 -0.31 0.03 -0.12 -0.04 7.38 6.94 1iveB1 PHE 446 HZ -1.67 -0.01 -0.06 -0.04 7.32 5.54 1iveB1 CYS 447 H -0.20 0.74 0.19 -0.55 8.50 8.69 1iveB1 CYS 447 HA -0.36 0.14 1.12 -0.75 4.58 4.72 1iveB1 CYS 447 HB2 -0.56 0.05 -0.02 -0.04 2.97 2.40 1iveB1 CYS 447 HB3 -0.39 0.07 -0.04 -0.04 2.97 2.57 1iveB1 GLY 448 H -0.07 0.34 0.31 -0.55 8.43 8.46 1iveB1 GLY 448 HA2 -0.12 0.17 0.65 -0.51 4.01 4.20 1iveB1 GLY 448 HA3 -0.07 0.04 0.41 -0.51 4.01 3.89 1iveB1 THR 449 H -0.25 0.46 0.34 -0.55 8.28 8.29 1iveB1 THR 449 HA -0.09 0.24 1.14 -0.75 4.39 4.93 1iveB1 THR 449 HB -0.04 0.05 -0.02 -0.04 4.32 4.26 1iveB1 THR 449 HG23 0.04 0.05 -0.32 -0.04 1.22 0.95 1iveB1 SER 450 H -0.05 0.19 0.13 -0.55 8.46 8.18 1iveB1 SER 450 HA -0.02 0.08 0.66 -0.75 4.49 4.45 1iveB1 SER 450 HB2 -0.00 -0.01 0.11 -0.04 3.95 4.00 1iveB1 SER 450 HB3 -0.03 0.17 0.14 -0.04 3.93 4.16 1iveB1 GLY 451 H 0.02 -0.03 -0.11 -0.55 8.43 7.76 1iveB1 GLY 451 HA2 0.03 0.24 0.88 -0.51 4.01 4.65 1iveB1 GLY 451 HA3 0.04 -0.03 0.32 -0.51 4.01 3.83 1iveB1 THR 452 H 0.05 0.06 0.11 -0.55 8.28 7.96 1iveB1 THR 452 HA -0.03 0.13 0.23 -0.75 4.39 3.97 1iveB1 THR 452 HB 0.04 -0.01 -0.07 -0.04 4.32 4.24 1iveB1 THR 452 HG23 -0.03 0.02 0.03 -0.04 1.22 1.20 1iveB1 TYR 453 H -0.16 0.26 0.20 -0.55 8.29 8.04 1iveB1 TYR 453 HA 0.09 0.05 0.53 -0.75 4.56 4.47 1iveB1 TYR 453 HB2 0.16 -0.05 0.07 -0.04 3.06 3.20 1iveB1 TYR 453 HB3 0.09 0.11 -0.26 -0.04 2.98 2.88 1iveB1 TYR 453 HD2 0.11 0.18 -0.26 -0.04 7.15 7.14 1iveB1 TYR 453 HE2 0.11 0.11 -0.17 -0.04 6.85 6.86 1iveB1 GLY 454 H 0.35 0.10 0.01 -0.55 8.43 8.35 1iveB1 GLY 454 HA2 0.12 0.22 0.94 -0.51 4.01 4.78 1iveB1 GLY 454 HA3 0.17 -0.03 0.39 -0.51 4.01 4.03 1iveB1 THR 455 H 0.17 0.24 0.20 -0.55 8.28 8.33 1iveB1 THR 455 HA 0.24 0.15 0.77 -0.75 4.39 4.79 1iveB1 THR 455 HB 0.09 -0.05 0.03 -0.04 4.32 4.35 1iveB1 THR 455 HG23 0.06 -0.00 -0.03 -0.04 1.22 1.21 1iveB1 GLY 456 H 0.12 0.29 0.23 -0.55 8.43 8.52 1iveB1 GLY 456 HA2 -0.26 0.05 0.17 -0.51 4.01 3.47 1iveB1 GLY 456 HA3 -0.74 0.05 0.59 -0.51 4.01 3.41 1iveB1 SER 457 H -0.96 0.15 0.13 -0.55 8.46 7.23 1iveB1 SER 457 HA 0.24 0.30 0.29 -0.75 4.49 4.56 1iveB1 SER 457 HB2 0.08 0.01 -0.05 -0.04 3.95 3.96 1iveB1 SER 457 HB3 -0.06 -0.04 -0.21 -0.04 3.93 3.58 1iveB1 TRP 458 H 0.64 0.73 0.22 -0.55 7.97 9.01 1iveB1 TRP 458 HE1 0.05 0.02 -0.03 -0.04 10.20 10.20 1iveB1 TRP 458 HA 0.10 0.19 0.50 -0.75 4.62 4.66 1iveB1 TRP 458 HB2 0.23 0.02 0.19 -0.04 3.23 3.63 1iveB1 TRP 458 HB3 0.13 0.01 0.07 -0.04 3.23 3.40 1iveB1 TRP 458 HD1 0.07 0.03 -0.04 -0.04 7.22 7.24 1iveB1 TRP 458 HE3 0.27 0.21 0.09 -0.04 7.59 8.12 1iveB1 TRP 458 HZ2 0.11 0.02 -0.03 -0.04 7.44 7.50 1iveB1 TRP 458 HZ3 0.29 0.12 -0.15 -0.04 7.13 7.35 1iveB1 TRP 458 HH2 0.26 0.02 -0.14 -0.04 7.19 7.29 1iveB1 PRO 459 HA 0.18 0.12 0.57 -0.51 4.44 4.80 1iveB1 PRO 459 HB2 0.11 -0.10 -0.11 -0.04 2.28 2.14 1iveB1 PRO 459 HB3 0.12 0.00 0.00 -0.04 2.02 2.10 1iveB1 PRO 459 HG2 0.10 0.01 -0.06 -0.04 2.03 2.03 1iveB1 PRO 459 HG3 0.07 0.04 0.00 -0.04 2.03 2.10 1iveB1 PRO 459 HD2 0.11 0.17 0.36 -0.04 3.68 4.27 1iveB1 PRO 459 HD3 0.11 0.14 -0.08 -0.04 3.65 3.78 1iveB1 ASP 460 H 0.13 0.20 0.10 -0.55 8.40 8.29 1iveB1 ASP 460 HA 0.12 0.00 0.27 -0.75 4.63 4.26 1iveB1 ASP 460 HB2 0.12 0.10 0.09 -0.04 2.71 2.98 1iveB1 ASP 460 HB3 0.11 -0.07 0.12 -0.04 2.70 2.82 1iveB1 GLY 461 H 0.09 0.04 -0.14 -0.55 8.43 7.88 1iveB1 GLY 461 HA2 0.06 0.01 0.20 -0.51 4.01 3.78 1iveB1 GLY 461 HA3 0.08 0.22 0.52 -0.51 4.01 4.32 1iveB1 ALA 462 H 0.08 0.03 -0.10 -0.55 8.40 7.87 1iveB1 ALA 462 HA 0.09 0.22 0.78 -0.75 4.34 4.68 1iveB1 ALA 462 HB3 0.12 0.01 -0.18 -0.04 1.41 1.32 1iveB1 ASN 463 H 0.02 0.26 0.08 -0.55 8.53 8.35 1iveB1 ASN 463 HD21 -0.54 0.03 -0.01 -0.04 7.03 6.46 1iveB1 ASN 463 HD22 -1.10 0.06 0.01 -0.04 7.74 6.67 1iveB1 ASN 463 HA -0.13 0.07 0.74 -0.75 4.76 4.68 1iveB1 ASN 463 HB2 -0.40 0.09 0.10 -0.04 2.88 2.63 1iveB1 ASN 463 HB3 -0.99 0.05 0.19 -0.04 2.79 2.00 1iveB1 ILE 464 H -0.04 0.25 0.19 -0.55 8.25 8.10 1iveB1 ILE 464 HA 0.12 0.11 0.32 -0.75 4.18 3.98 1iveB1 ILE 464 HB -0.00 0.04 0.18 -0.04 1.89 2.07 1iveB1 ILE 464 HG12 -0.08 -0.05 0.08 -0.04 1.49 1.40 1iveB1 ILE 464 HG13 0.00 0.04 0.08 -0.04 1.21 1.29 1iveB1 ILE 464 HG23 -0.03 -0.00 -0.09 -0.04 0.93 0.77 1iveB1 ILE 464 HD13 0.09 0.01 0.03 -0.04 0.88 0.97 1iveB1 ASN 465 H -0.10 0.03 -0.34 -0.55 8.53 7.57 1iveB1 ASN 465 HD21 -0.01 -0.01 -0.00 -0.04 7.03 6.96 1iveB1 ASN 465 HD22 0.02 0.06 0.01 -0.04 7.74 7.80 1iveB1 ASN 465 HA 0.06 0.16 0.42 -0.75 4.76 4.65 1iveB1 ASN 465 HB2 -0.12 -0.02 -0.09 -0.04 2.88 2.62 1iveB1 ASN 465 HB3 0.07 0.07 0.03 -0.04 2.79 2.92 1iveB1 PHE 466 H 0.09 0.33 -0.39 -0.55 8.34 7.81 1iveB1 PHE 466 HA 0.05 0.12 0.72 -0.75 4.62 4.76 1iveB1 PHE 466 HB2 0.06 0.15 0.12 -0.04 3.15 3.44 1iveB1 PHE 466 HB3 0.05 0.01 0.11 -0.04 3.06 3.19 1iveB1 PHE 466 HD2 0.04 0.05 -0.14 -0.04 7.28 7.19 1iveB1 PHE 466 HE2 0.03 0.00 -0.02 -0.04 7.38 7.35 1iveB1 PHE 466 HZ 0.02 -0.00 -0.01 -0.04 7.32 7.29 1iveB1 MET 467 H 0.22 0.18 -0.52 -0.55 8.47 7.81 1iveB1 MET 467 HA 0.19 0.10 0.06 -0.75 4.52 4.12 1iveB1 MET 467 HB2 0.28 -0.01 0.10 -0.04 2.15 2.48 1iveB1 MET 467 HB3 0.44 0.03 -0.05 -0.04 2.03 2.41 1iveB1 MET 467 HG2 0.72 -0.12 -0.07 -0.04 2.63 3.12 1iveB1 MET 467 HG3 0.24 0.08 -0.03 -0.04 2.56 2.81 1iveB1 MET 467 HE3 0.00 0.05 -0.13 -0.04 2.10 1.98 1iveB1 PRO 468 HA 0.15 0.04 0.63 -0.51 4.44 4.75 1iveB1 PRO 468 HB2 0.09 0.02 0.01 -0.04 2.28 2.36 1iveB1 PRO 468 HB3 0.07 -0.01 0.11 -0.04 2.02 2.15 1iveB1 PRO 468 HG2 -0.01 0.07 0.08 -0.04 2.03 2.13 1iveB1 PRO 468 HG3 0.04 0.10 0.11 -0.04 2.03 2.24 1iveB1 PRO 468 HD2 0.06 0.04 0.12 -0.04 3.68 3.86 1iveB1 PRO 468 HD3 0.09 0.20 0.16 -0.04 3.65 4.06 1iveB1 ILE 469 H 0.17 0.21 0.09 -0.55 8.25 8.17 1iveB1 ILE 469 HA 0.21 0.03 0.15 -0.75 4.18 3.82 1iveB1 ILE 469 HB 0.55 0.49 0.02 -0.04 1.89 2.91 1iveB1 ILE 469 HG12 0.19 0.00 -0.04 -0.04 1.49 1.60 1iveB1 ILE 469 HG13 0.31 0.07 -0.20 -0.04 1.21 1.35 1iveB1 ILE 469 HG23 0.57 -0.10 0.22 -0.04 0.93 1.57 1iveB1 ILE 469 HD13 0.33 -0.01 -0.04 -0.04 0.88 1.12