============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 68 rings ring int. center anis. iso. PHE 28 1.000 5.424 55.233 46.868 -99.200 -91.000 TYR 35 0.840 -7.653 38.599 36.718 -99.200 -91.000 HIS 50 0.900 -1.438 26.983 46.635 -99.200 -91.000 HIS 62 0.900 -3.663 46.759 36.666 -99.200 -91.000 TYR 69 0.840 8.815 57.927 37.142 -99.200 -91.000 PHE 73 1.000 17.358 55.075 32.225 -99.200 -91.000 PHE 76 1.000 14.683 46.137 40.021 -99.200 -91.000 PHE 80 1.000 9.927 36.163 45.471 -99.200 -91.000 TRP 81 1.040 8.731 35.356 53.986 -99.200 -91.000 TRP6 81 1.020 10.070 33.785 55.121 -99.200 -91.000 HIS 91 0.900 4.963 15.734 37.842 -99.200 -91.000 TYR 95 0.840 5.364 18.319 32.953 -99.200 -91.000 TYR 100 0.840 7.043 26.730 36.547 -99.200 -91.000 HIS 109 0.900 -2.579 39.647 23.751 -99.200 -91.000 TRP 117 1.040 11.179 43.409 37.784 -99.200 -91.000 TRP6 117 1.020 9.711 42.006 38.976 -99.200 -91.000 TRP 128 1.040 16.798 39.093 39.080 -99.200 -91.000 TRP6 128 1.020 14.644 39.936 39.577 -99.200 -91.000 PHE 142 1.000 19.994 28.247 44.723 -99.200 -91.000 PHE 149 1.000 15.072 16.646 56.582 -99.200 -91.000 TYR 152 0.840 18.352 26.842 50.417 -99.200 -91.000 TRP 157 1.040 5.462 29.027 53.654 -99.200 -91.000 TRP6 157 1.020 4.815 30.432 51.870 -99.200 -91.000 PHE 159 1.000 12.689 37.577 52.842 -99.200 -91.000 TYR 173 0.840 21.967 38.957 49.130 -99.200 -91.000 TYR 209 0.840 0.858 22.852 44.770 -99.200 -91.000 PHE 215 1.000 6.558 41.192 44.342 -99.200 -91.000 PHE 218 1.000 12.453 46.403 50.669 -99.200 -91.000 TYR 231 0.840 15.693 34.644 56.871 -99.200 -91.000 TYR 234 0.840 8.906 39.685 56.028 -99.200 -91.000 PHE 239 1.000 -0.392 32.266 66.421 -99.200 -91.000 PHE 243 1.000 11.022 19.269 57.135 -99.200 -91.000 TRP 244 1.040 5.573 20.346 55.112 -99.200 -91.000 TRP6 244 1.020 7.303 19.285 53.899 -99.200 -91.000 TYR 250 0.840 -3.354 23.135 70.397 -99.200 -91.000 TYR 254 0.840 2.035 18.528 63.185 -99.200 -91.000 TYR 255 0.840 4.484 10.434 59.583 -99.200 -91.000 TYR 274 0.840 13.016 1.532 75.117 -99.200 -91.000 TYR 276 0.840 13.720 1.849 69.143 -99.200 -91.000 TYR 283 0.840 14.272 8.552 44.548 -99.200 -91.000 TYR 291 0.840 21.786 13.447 48.573 -99.200 -91.000 TYR 292 0.840 13.500 12.480 48.378 -99.200 -91.000 TYR 296 0.840 5.201 12.429 54.281 -99.200 -91.000 PHE 301 1.000 5.573 11.371 68.593 -99.200 -91.000 TYR 306 0.840 -2.391 20.039 81.406 -99.200 -91.000 PHE 315 1.000 -3.053 29.034 62.765 -99.200 -91.000 PHE 321 1.000 1.897 25.573 80.493 -99.200 -91.000 TYR 325 0.840 -3.215 12.385 73.967 -99.200 -91.000 TYR 328 0.840 0.270 2.326 68.019 -99.200 -91.000 HIS 333 0.900 -1.840 3.937 72.032 -99.200 -91.000 TYR 337 0.840 9.987 9.924 84.845 -99.200 -91.000 PHE 344 1.000 19.335 6.386 80.073 -99.200 -91.000 TYR 355 0.840 3.794 3.628 83.583 -99.200 -91.000 TYR 363 0.840 4.987 13.060 87.720 -99.200 -91.000 TYR 377 0.840 10.585 27.283 58.540 -99.200 -91.000 TYR 384 0.840 6.315 22.674 82.969 -99.200 -91.000 HIS 397 0.900 21.525 9.136 78.622 -99.200 -91.000 TRP 415 1.040 23.754 18.289 79.570 -99.200 -91.000 TRP6 415 1.020 23.732 18.458 77.207 -99.200 -91.000 TYR 416 0.840 18.597 18.111 75.646 -99.200 -91.000 PHE 417 1.000 15.080 24.103 80.317 -99.200 -91.000 HIS 419 0.900 25.201 22.284 77.797 -99.200 -91.000 TRP 429 1.040 12.348 16.719 69.704 -99.200 -91.000 TRP6 429 1.020 12.885 14.509 69.065 -99.200 -91.000 TYR 430 0.840 13.940 19.781 61.161 -99.200 -91.000 PHE 431 1.000 6.168 18.518 67.015 -99.200 -91.000 TRP 438 1.040 8.813 14.733 50.727 -99.200 -91.000 TRP6 438 1.020 10.915 15.809 50.849 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1d0hA1 GLU 875 HA -0.01 -0.03 0.10 -0.75 4.29 3.60 1d0hA1 GLU 875 HB2 -0.01 -0.02 0.05 -0.04 2.09 2.08 1d0hA1 GLU 875 HB3 -0.00 0.02 0.03 -0.04 1.99 2.00 1d0hA1 GLU 875 HG2 -0.01 -0.03 -0.24 -0.04 2.34 2.02 1d0hA1 GLU 875 HG3 -0.01 0.02 -0.04 -0.04 2.34 2.27 1d0hA1 ASP 876 H -0.00 0.22 0.08 -0.55 8.40 8.15 1d0hA1 ASP 876 HA -0.01 0.13 0.65 -0.75 4.63 4.64 1d0hA1 ASP 876 HB2 -0.00 -0.17 0.12 -0.04 2.71 2.62 1d0hA1 ASP 876 HB3 -0.01 -0.02 0.10 -0.04 2.70 2.73 1d0hA1 ILE 877 H -0.02 0.21 0.15 -0.55 8.25 8.04 1d0hA1 ILE 877 HA -0.03 0.10 0.38 -0.75 4.18 3.88 1d0hA1 ILE 877 HB -0.04 0.01 0.12 -0.04 1.89 1.95 1d0hA1 ILE 877 HG12 -0.05 -0.01 -0.04 -0.04 1.49 1.35 1d0hA1 ILE 877 HG13 -0.03 0.09 0.03 -0.04 1.21 1.25 1d0hA1 ILE 877 HG23 -0.06 0.01 -0.09 -0.04 0.93 0.75 1d0hA1 ILE 877 HD13 -0.05 0.00 -0.16 -0.04 0.88 0.64 1d0hA1 ASP 878 H -0.02 0.10 -0.10 -0.55 8.40 7.83 1d0hA1 ASP 878 HA -0.01 0.11 0.30 -0.75 4.63 4.27 1d0hA1 ASP 878 HB2 -0.01 -0.02 0.03 -0.04 2.71 2.67 1d0hA1 ASP 878 HB3 -0.01 0.10 0.02 -0.04 2.70 2.77 1d0hA1 VAL 879 H -0.00 0.00 -0.38 -0.55 8.24 7.32 1d0hA1 VAL 879 HA 0.02 0.08 0.36 -0.75 4.13 3.83 1d0hA1 VAL 879 HB 0.00 0.11 0.13 -0.04 2.12 2.33 1d0hA1 VAL 879 HG13 0.02 0.02 -0.13 -0.04 0.97 0.84 1d0hA1 VAL 879 HG23 0.00 -0.01 0.04 -0.04 0.95 0.94 1d0hA1 ILE 880 H 0.00 0.55 -0.13 -0.55 8.25 8.12 1d0hA1 ILE 880 HA 0.03 0.02 0.35 -0.75 4.18 3.82 1d0hA1 ILE 880 HB -0.03 0.04 0.15 -0.04 1.89 2.02 1d0hA1 ILE 880 HG12 -0.01 0.31 -0.03 -0.04 1.49 1.73 1d0hA1 ILE 880 HG13 -0.02 -0.07 -0.09 -0.04 1.21 0.99 1d0hA1 ILE 880 HG23 -0.03 -0.02 -0.16 -0.04 0.93 0.68 1d0hA1 ILE 880 HD13 0.01 0.00 -0.05 -0.04 0.88 0.80 1d0hA1 LEU 881 H -0.00 0.81 -0.06 -0.55 8.37 8.57 1d0hA1 LEU 881 HA 0.02 -0.05 0.27 -0.75 4.35 3.84 1d0hA1 LEU 881 HB2 0.04 0.06 0.08 -0.04 1.64 1.78 1d0hA1 LEU 881 HB3 0.15 0.00 -0.05 -0.04 1.64 1.71 1d0hA1 LEU 881 HG -0.08 0.05 -0.02 -0.04 1.64 1.55 1d0hA1 LEU 881 HD13 -0.05 -0.00 -0.12 -0.04 0.93 0.72 1d0hA1 LEU 881 HD23 -0.33 -0.01 -0.09 -0.04 0.89 0.41 1d0hA1 LYS 882 H 0.07 0.57 -0.15 -0.55 8.42 8.35 1d0hA1 LYS 882 HA 0.10 -0.01 0.37 -0.75 4.32 4.03 1d0hA1 LYS 882 HB2 0.04 0.01 0.14 -0.04 1.87 2.02 1d0hA1 LYS 882 HB3 0.05 0.06 0.21 -0.04 1.79 2.06 1d0hA1 LYS 882 HG2 0.04 0.01 -0.11 -0.04 1.46 1.36 1d0hA1 LYS 882 HG3 0.05 0.00 0.05 -0.04 1.46 1.53 1d0hA1 LYS 882 HD2 0.03 -0.02 0.00 -0.04 1.69 1.65 1d0hA1 LYS 882 HD3 0.02 -0.05 -0.01 -0.04 1.68 1.60 1d0hA1 LYS 882 HE2 0.02 -0.01 -0.01 -0.04 2.99 2.95 1d0hA1 LYS 882 HE3 0.03 0.05 0.01 -0.04 2.99 3.04 1d0hA1 LYS 883 H 0.07 0.77 0.00 -0.55 8.42 8.71 1d0hA1 LYS 883 HA 0.08 -0.00 0.37 -0.75 4.32 4.02 1d0hA1 LYS 883 HB2 0.06 0.06 0.15 -0.04 1.87 2.10 1d0hA1 LYS 883 HB3 0.07 -0.06 -0.06 -0.04 1.79 1.70 1d0hA1 LYS 883 HG2 0.05 -0.03 0.04 -0.04 1.46 1.48 1d0hA1 LYS 883 HG3 0.04 0.03 0.03 -0.04 1.46 1.52 1d0hA1 LYS 883 HD2 0.03 -0.03 -0.10 -0.04 1.69 1.55 1d0hA1 LYS 883 HD3 0.04 -0.02 -0.03 -0.04 1.68 1.63 1d0hA1 LYS 883 HE2 0.03 -0.01 -0.01 -0.04 2.99 2.95 1d0hA1 LYS 883 HE3 0.02 -0.02 -0.03 -0.04 2.99 2.92 1d0hA1 SER 884 H 0.15 0.65 -0.13 -0.55 8.46 8.59 1d0hA1 SER 884 HA 0.14 0.13 0.67 -0.75 4.49 4.68 1d0hA1 SER 884 HB2 0.20 -0.24 -0.02 -0.04 3.95 3.85 1d0hA1 SER 884 HB3 0.11 -0.01 -0.05 -0.04 3.93 3.94 1d0hA1 THR 885 H 0.16 0.49 -0.29 -0.55 8.28 8.09 1d0hA1 THR 885 HA -0.22 0.06 0.67 -0.75 4.39 4.14 1d0hA1 THR 885 HB 0.05 0.18 0.23 -0.04 4.32 4.73 1d0hA1 THR 885 HG23 -0.14 -0.05 -0.13 -0.04 1.22 0.86 1d0hA1 ILE 886 H -0.14 0.62 0.45 -0.55 8.25 8.63 1d0hA1 ILE 886 HA -0.10 0.24 0.98 -0.75 4.18 4.55 1d0hA1 ILE 886 HB -0.61 -0.11 0.16 -0.04 1.89 1.30 1d0hA1 ILE 886 HG12 -0.08 0.02 -0.14 -0.04 1.49 1.25 1d0hA1 ILE 886 HG13 -0.12 0.07 -0.09 -0.04 1.21 1.02 1d0hA1 ILE 886 HG23 -0.27 0.04 -0.10 -0.04 0.93 0.56 1d0hA1 ILE 886 HD13 -0.10 -0.02 -0.10 -0.04 0.88 0.62 1d0hA1 LEU 887 H -0.10 0.38 0.14 -0.55 8.37 8.24 1d0hA1 LEU 887 HA 0.06 -0.08 0.48 -0.75 4.35 4.05 1d0hA1 LEU 887 HB2 0.03 0.17 0.02 -0.04 1.64 1.81 1d0hA1 LEU 887 HB3 0.00 -0.04 -0.01 -0.04 1.64 1.55 1d0hA1 LEU 887 HG 0.15 0.03 -0.31 -0.04 1.64 1.47 1d0hA1 LEU 887 HD13 0.12 -0.04 -0.05 -0.04 0.93 0.92 1d0hA1 LEU 887 HD23 0.31 0.01 -0.15 -0.04 0.89 1.03 1d0hA1 ASN 888 H 0.07 0.03 -0.02 -0.55 8.53 8.06 1d0hA1 ASN 888 HA 0.01 0.32 0.81 -0.75 4.76 5.14 1d0hA1 ASN 888 HB2 -0.00 0.04 -0.26 -0.04 2.88 2.61 1d0hA1 ASN 888 HB3 0.05 -0.21 -0.01 -0.04 2.79 2.59 1d0hA1 ASN 888 HD21 0.09 0.03 -0.07 -0.04 7.03 7.04 1d0hA1 ASN 888 HD22 0.05 0.03 -0.10 -0.04 7.74 7.67 1d0hA1 LEU 889 H 0.15 0.77 0.13 -0.55 8.37 8.87 1d0hA1 LEU 889 HA 0.12 0.13 0.70 -0.75 4.35 4.55 1d0hA1 LEU 889 HB2 0.23 -0.08 0.13 -0.04 1.64 1.88 1d0hA1 LEU 889 HB3 0.15 0.02 -0.04 -0.04 1.64 1.73 1d0hA1 LEU 889 HG 0.34 0.02 -0.09 -0.04 1.64 1.87 1d0hA1 LEU 889 HD13 0.15 -0.00 -0.12 -0.04 0.93 0.92 1d0hA1 LEU 889 HD23 0.14 -0.02 -0.22 -0.04 0.89 0.74 1d0hA1 ASP 890 H 0.09 0.98 0.53 -0.55 8.40 9.45 1d0hA1 ASP 890 HA 0.08 0.12 0.91 -0.75 4.63 4.99 1d0hA1 ASP 890 HB2 0.08 0.02 -0.11 -0.04 2.71 2.66 1d0hA1 ASP 890 HB3 0.06 -0.02 0.07 -0.04 2.70 2.78 1d0hA1 ILE 891 H 0.05 0.23 0.16 -0.55 8.25 8.15 1d0hA1 ILE 891 HA 0.05 0.34 1.07 -0.75 4.18 4.89 1d0hA1 ILE 891 HB 0.03 0.04 0.13 -0.04 1.89 2.05 1d0hA1 ILE 891 HG12 0.06 0.03 -0.21 -0.04 1.49 1.32 1d0hA1 ILE 891 HG13 0.07 -0.10 -0.30 -0.04 1.21 0.83 1d0hA1 ILE 891 HG23 0.04 -0.02 -0.33 -0.04 0.93 0.57 1d0hA1 ILE 891 HD13 0.07 0.06 -0.25 -0.04 0.88 0.72 1d0hA1 ASN 892 H 0.03 0.76 0.22 -0.55 8.53 9.01 1d0hA1 ASN 892 HA 0.02 0.07 0.84 -0.75 4.76 4.94 1d0hA1 ASN 892 HB2 0.03 0.00 -0.22 -0.04 2.88 2.65 1d0hA1 ASN 892 HB3 0.03 0.04 0.01 -0.04 2.79 2.83 1d0hA1 ASN 892 HD21 0.02 0.00 0.06 -0.04 7.03 7.07 1d0hA1 ASN 892 HD22 0.02 0.09 0.16 -0.04 7.74 7.98 1d0hA1 ASN 893 H 0.01 0.17 0.14 -0.55 8.53 8.31 1d0hA1 ASN 893 HA 0.01 0.04 0.34 -0.75 4.76 4.39 1d0hA1 ASN 893 HB2 0.01 0.12 -0.23 -0.04 2.88 2.74 1d0hA1 ASN 893 HB3 0.01 0.04 0.19 -0.04 2.79 2.99 1d0hA1 ASN 893 HD21 0.01 0.02 -0.02 -0.04 7.03 6.99 1d0hA1 ASN 893 HD22 0.01 0.03 -0.12 -0.04 7.74 7.61 1d0hA1 ASP 894 H 0.02 0.01 -0.26 -0.55 8.40 7.63 1d0hA1 ASP 894 HA 0.02 -0.03 0.14 -0.75 4.63 4.01 1d0hA1 ASP 894 HB2 0.01 0.17 -0.16 -0.04 2.71 2.69 1d0hA1 ASP 894 HB3 0.02 0.02 0.16 -0.04 2.70 2.86 1d0hA1 ILE 895 H 0.03 0.32 -0.46 -0.55 8.25 7.58 1d0hA1 ILE 895 HA 0.03 0.16 0.85 -0.75 4.18 4.46 1d0hA1 ILE 895 HB 0.02 0.08 0.07 -0.04 1.89 2.03 1d0hA1 ILE 895 HG12 0.02 0.15 -0.25 -0.04 1.49 1.36 1d0hA1 ILE 895 HG13 0.01 -0.07 -0.01 -0.04 1.21 1.11 1d0hA1 ILE 895 HG23 0.02 -0.02 -0.08 -0.04 0.93 0.82 1d0hA1 ILE 895 HD13 0.01 0.03 0.08 -0.04 0.88 0.96 1d0hA1 ILE 896 H 0.04 0.19 0.12 -0.55 8.25 8.05 1d0hA1 ILE 896 HA 0.06 0.26 0.98 -0.75 4.18 4.73 1d0hA1 ILE 896 HB 0.06 -0.01 0.06 -0.04 1.89 1.96 1d0hA1 ILE 896 HG12 0.07 -0.01 -0.17 -0.04 1.49 1.33 1d0hA1 ILE 896 HG13 0.06 -0.03 -0.14 -0.04 1.21 1.06 1d0hA1 ILE 896 HG23 0.08 -0.02 -0.18 -0.04 0.93 0.78 1d0hA1 ILE 896 HD13 0.07 0.01 -0.10 -0.04 0.88 0.82 1d0hA1 SER 897 H 0.06 0.79 0.42 -0.55 8.46 9.18 1d0hA1 SER 897 HA 0.06 0.11 0.57 -0.75 4.49 4.48 1d0hA1 SER 897 HB2 0.05 -0.03 0.17 -0.04 3.95 4.09 1d0hA1 SER 897 HB3 0.04 0.08 -0.18 -0.04 3.93 3.83 1d0hA1 ASP 898 H 0.07 0.27 0.16 -0.55 8.40 8.35 1d0hA1 ASP 898 HA 0.09 0.23 0.80 -0.75 4.63 5.00 1d0hA1 ASP 898 HB2 0.10 0.06 0.04 -0.04 2.71 2.87 1d0hA1 ASP 898 HB3 0.08 0.28 0.24 -0.04 2.70 3.27 1d0hA1 ILE 899 H 0.07 0.69 0.24 -0.55 8.25 8.71 1d0hA1 ILE 899 HA 0.05 0.20 0.90 -0.75 4.18 4.57 1d0hA1 ILE 899 HB 0.04 0.02 0.16 -0.04 1.89 2.07 1d0hA1 ILE 899 HG12 0.07 0.11 0.01 -0.04 1.49 1.63 1d0hA1 ILE 899 HG13 0.06 -0.01 -0.14 -0.04 1.21 1.08 1d0hA1 ILE 899 HG23 0.05 0.01 -0.14 -0.04 0.93 0.80 1d0hA1 ILE 899 HD13 0.06 0.00 -0.03 -0.04 0.88 0.86 1d0hA1 SER 900 H 0.10 -0.05 -0.21 -0.55 8.46 7.74 1d0hA1 SER 900 HA 0.08 0.22 0.36 -0.75 4.49 4.40 1d0hA1 SER 900 HB2 0.29 0.31 -0.26 -0.04 3.95 4.26 1d0hA1 SER 900 HB3 0.11 -0.14 -0.26 -0.04 3.93 3.60 1d0hA1 GLY 901 H 0.07 -0.11 -0.15 -0.55 8.43 7.70 1d0hA1 GLY 901 HA2 -0.04 0.05 0.21 -0.51 4.01 3.72 1d0hA1 GLY 901 HA3 -0.11 0.30 0.76 -0.51 4.01 4.45 1d0hA1 PHE 902 H 0.22 0.00 -0.12 -0.55 8.34 7.89 1d0hA1 PHE 902 HA 0.02 0.18 0.48 -0.75 4.62 4.54 1d0hA1 PHE 902 HB2 0.02 -0.01 0.03 -0.04 3.15 3.15 1d0hA1 PHE 902 HB3 0.01 -0.08 0.06 -0.04 3.06 3.02 1d0hA1 PHE 902 HD2 0.01 -0.10 -0.06 -0.04 7.28 7.08 1d0hA1 PHE 902 HE2 0.03 0.13 -0.03 -0.04 7.38 7.47 1d0hA1 PHE 902 HZ 0.04 0.04 -0.04 -0.04 7.32 7.32 1d0hA1 ASN 903 H 0.10 -0.17 -0.19 -0.55 8.53 7.73 1d0hA1 ASN 903 HA 0.06 0.12 0.30 -0.75 4.76 4.49 1d0hA1 ASN 903 HB2 0.02 0.03 -0.26 -0.04 2.88 2.63 1d0hA1 ASN 903 HB3 0.04 0.16 -0.15 -0.04 2.79 2.80 1d0hA1 ASN 903 HD21 0.02 -0.01 0.02 -0.04 7.03 7.02 1d0hA1 ASN 903 HD22 0.03 0.01 0.03 -0.04 7.74 7.77 1d0hA1 SER 904 H 0.12 -0.10 -0.11 -0.55 8.46 7.82 1d0hA1 SER 904 HA 0.08 0.12 0.52 -0.75 4.49 4.46 1d0hA1 SER 904 HB2 0.09 -0.12 0.04 -0.04 3.95 3.92 1d0hA1 SER 904 HB3 0.09 0.15 -0.18 -0.04 3.93 3.95 1d0hA1 SER 905 H 0.07 0.32 0.23 -0.55 8.46 8.54 1d0hA1 SER 905 HA 0.05 0.09 0.65 -0.75 4.49 4.52 1d0hA1 SER 905 HB2 -0.01 0.03 0.10 -0.04 3.95 4.03 1d0hA1 SER 905 HB3 0.01 0.04 0.18 -0.04 3.93 4.12 1d0hA1 VAL 906 H 0.05 0.20 0.25 -0.55 8.24 8.20 1d0hA1 VAL 906 HA 0.12 0.28 1.16 -0.75 4.13 4.93 1d0hA1 VAL 906 HB 0.06 0.12 0.14 -0.04 2.12 2.40 1d0hA1 VAL 906 HG13 0.08 -0.02 -0.37 -0.04 0.97 0.62 1d0hA1 VAL 906 HG23 0.09 -0.01 -0.23 -0.04 0.95 0.76 1d0hA1 ILE 907 H 0.15 0.83 0.35 -0.55 8.25 9.03 1d0hA1 ILE 907 HA 0.04 0.15 0.92 -0.75 4.18 4.54 1d0hA1 ILE 907 HB 0.27 -0.06 0.16 -0.04 1.89 2.23 1d0hA1 ILE 907 HG12 -0.03 0.05 -0.21 -0.04 1.49 1.26 1d0hA1 ILE 907 HG13 0.06 0.00 -0.16 -0.04 1.21 1.07 1d0hA1 ILE 907 HG23 -0.02 0.01 -0.13 -0.04 0.93 0.74 1d0hA1 ILE 907 HD13 -0.16 -0.01 -0.06 -0.04 0.88 0.62 1d0hA1 THR 908 H 0.04 0.23 0.22 -0.55 8.28 8.22 1d0hA1 THR 908 HA 0.14 0.14 1.06 -0.75 4.39 4.98 1d0hA1 THR 908 HB 0.04 -0.01 0.23 -0.04 4.32 4.54 1d0hA1 THR 908 HG23 0.07 0.06 0.01 -0.04 1.22 1.32 1d0hA1 TYR 909 H 0.36 0.56 0.33 -0.55 8.29 8.99 1d0hA1 TYR 909 HA 0.00 0.07 0.62 -0.75 4.56 4.50 1d0hA1 TYR 909 HB2 -0.00 -0.04 0.17 -0.04 3.06 3.15 1d0hA1 TYR 909 HB3 -0.00 0.02 0.24 -0.04 2.98 3.19 1d0hA1 TYR 909 HD2 -0.00 -0.00 -0.09 -0.04 7.15 7.01 1d0hA1 TYR 909 HE2 0.01 -0.04 -0.08 -0.04 6.85 6.70 1d0hA1 PRO 910 HA 0.03 0.10 0.45 -0.51 4.44 4.51 1d0hA1 PRO 910 HB2 0.04 -0.02 0.03 -0.04 2.28 2.29 1d0hA1 PRO 910 HB3 0.01 0.01 0.12 -0.04 2.02 2.13 1d0hA1 PRO 910 HG2 0.03 -0.01 0.12 -0.04 2.03 2.13 1d0hA1 PRO 910 HG3 -0.02 0.04 0.14 -0.04 2.03 2.15 1d0hA1 PRO 910 HD2 0.16 0.08 0.30 -0.04 3.68 4.18 1d0hA1 PRO 910 HD3 -0.07 0.12 0.29 -0.04 3.65 3.94 1d0hA1 ASP 911 H 0.08 0.45 -0.13 -0.55 8.40 8.24 1d0hA1 ASP 911 HA 0.04 0.25 0.86 -0.75 4.63 5.02 1d0hA1 ASP 911 HB2 0.03 -0.08 -0.12 -0.04 2.71 2.50 1d0hA1 ASP 911 HB3 0.02 -0.09 -0.24 -0.04 2.70 2.36 1d0hA1 ALA 912 H 0.07 0.44 -0.15 -0.55 8.40 8.22 1d0hA1 ALA 912 HA 0.04 0.07 0.72 -0.75 4.34 4.42 1d0hA1 ALA 912 HB3 0.06 -0.00 0.05 -0.04 1.41 1.49 1d0hA1 GLN 913 H 0.09 0.59 0.33 -0.55 8.47 8.94 1d0hA1 GLN 913 HA 0.06 0.18 0.87 -0.75 4.36 4.72 1d0hA1 GLN 913 HB2 0.18 -0.02 0.03 -0.04 2.15 2.30 1d0hA1 GLN 913 HB3 0.07 0.03 0.02 -0.04 2.02 2.10 1d0hA1 GLN 913 HG2 0.05 0.01 -0.10 -0.04 2.40 2.32 1d0hA1 GLN 913 HG3 0.06 0.06 -0.41 -0.04 2.39 2.06 1d0hA1 GLN 913 HE21 0.04 -0.07 -0.03 -0.04 6.97 6.86 1d0hA1 GLN 913 HE22 0.04 0.06 -0.05 -0.04 7.69 7.70 1d0hA1 LEU 914 H 0.05 0.19 0.18 -0.55 8.37 8.25 1d0hA1 LEU 914 HA 0.09 0.41 1.07 -0.75 4.35 5.16 1d0hA1 LEU 914 HB2 0.04 -0.04 0.09 -0.04 1.64 1.69 1d0hA1 LEU 914 HB3 0.05 -0.04 0.04 -0.04 1.64 1.65 1d0hA1 LEU 914 HG 0.05 0.03 -0.18 -0.04 1.64 1.50 1d0hA1 LEU 914 HD13 0.04 -0.01 -0.16 -0.04 0.93 0.75 1d0hA1 LEU 914 HD23 0.07 0.04 -0.25 -0.04 0.89 0.71 1d0hA1 VAL 915 H 0.10 0.54 0.26 -0.55 8.24 8.59 1d0hA1 VAL 915 HA 0.01 0.16 0.68 -0.75 4.13 4.23 1d0hA1 VAL 915 HB -0.02 0.06 0.05 -0.04 2.12 2.17 1d0hA1 VAL 915 HG13 -0.24 -0.02 -0.29 -0.04 0.97 0.38 1d0hA1 VAL 915 HG23 0.18 0.05 -0.37 -0.04 0.95 0.77 1d0hA1 PRO 916 HA 0.01 0.02 0.49 -0.51 4.44 4.45 1d0hA1 PRO 916 HB2 0.07 0.03 0.06 -0.04 2.28 2.40 1d0hA1 PRO 916 HB3 -0.07 0.07 0.11 -0.04 2.02 2.09 1d0hA1 PRO 916 HG2 0.03 0.05 0.07 -0.04 2.03 2.14 1d0hA1 PRO 916 HG3 0.05 0.02 0.07 -0.04 2.03 2.13 1d0hA1 PRO 916 HD2 0.03 0.12 0.16 -0.04 3.68 3.94 1d0hA1 PRO 916 HD3 0.02 0.12 0.19 -0.04 3.65 3.94 1d0hA1 GLY 917 H -0.11 0.55 0.39 -0.55 8.43 8.71 1d0hA1 GLY 917 HA2 -0.47 0.16 0.60 -0.51 4.01 3.80 1d0hA1 GLY 917 HA3 -0.40 -0.07 0.10 -0.51 4.01 3.12 1d0hA1 ILE 918 H -1.13 0.05 -0.00 -0.55 8.25 6.63 1d0hA1 ILE 918 HA -0.72 0.27 0.49 -0.75 4.18 3.45 1d0hA1 ILE 918 HB -1.64 -0.05 0.03 -0.04 1.89 0.19 1d0hA1 ILE 918 HG12 -2.37 -0.07 -0.09 -0.04 1.49 -1.07 1d0hA1 ILE 918 HG13 -0.76 0.09 -0.05 -0.04 1.21 0.44 1d0hA1 ILE 918 HG23 -1.40 -0.02 -0.09 -0.04 0.93 -0.62 1d0hA1 ILE 918 HD13 -0.56 0.04 0.01 -0.04 0.88 0.33 1d0hA1 ASN 919 H -0.43 -0.02 -0.34 -0.55 8.53 7.20 1d0hA1 ASN 919 HA -0.18 0.16 0.58 -0.75 4.76 4.57 1d0hA1 ASN 919 HB2 -0.18 0.22 -0.16 -0.04 2.88 2.73 1d0hA1 ASN 919 HB3 -0.10 -0.08 0.16 -0.04 2.79 2.73 1d0hA1 ASN 919 HD21 0.03 -0.07 0.03 -0.04 7.03 6.97 1d0hA1 ASN 919 HD22 -0.04 0.02 -0.13 -0.04 7.74 7.54 1d0hA1 GLY 920 H -0.18 0.33 -0.01 -0.55 8.43 8.02 1d0hA1 GLY 920 HA2 -0.05 0.01 0.27 -0.51 4.01 3.72 1d0hA1 GLY 920 HA3 -0.06 0.21 0.91 -0.51 4.01 4.56 1d0hA1 LYS 921 H -0.02 0.14 0.18 -0.55 8.42 8.16 1d0hA1 LYS 921 HA -0.00 0.16 0.79 -0.75 4.32 4.51 1d0hA1 LYS 921 HB2 0.02 -0.06 0.04 -0.04 1.87 1.83 1d0hA1 LYS 921 HB3 0.04 0.08 0.02 -0.04 1.79 1.89 1d0hA1 LYS 921 HG2 0.04 0.05 -0.20 -0.04 1.46 1.31 1d0hA1 LYS 921 HG3 0.02 -0.08 -0.09 -0.04 1.46 1.27 1d0hA1 LYS 921 HD2 0.03 -0.06 -0.07 -0.04 1.69 1.54 1d0hA1 LYS 921 HD3 0.03 0.05 -0.12 -0.04 1.68 1.60 1d0hA1 LYS 921 HE2 0.03 0.02 -0.09 -0.04 2.99 2.91 1d0hA1 LYS 921 HE3 0.01 -0.06 -0.05 -0.04 2.99 2.86 1d0hA1 ALA 922 H 0.08 0.81 0.29 -0.55 8.40 9.03 1d0hA1 ALA 922 HA 0.07 0.06 0.85 -0.75 4.34 4.57 1d0hA1 ALA 922 HB3 0.19 0.02 -0.19 -0.04 1.41 1.39 1d0hA1 ILE 923 H 0.21 0.49 0.34 -0.55 8.25 8.75 1d0hA1 ILE 923 HA 0.14 0.28 0.77 -0.75 4.18 4.62 1d0hA1 ILE 923 HB 0.16 0.01 0.19 -0.04 1.89 2.21 1d0hA1 ILE 923 HG12 0.10 0.05 -0.06 -0.04 1.49 1.53 1d0hA1 ILE 923 HG13 0.12 -0.09 -0.02 -0.04 1.21 1.18 1d0hA1 ILE 923 HG23 0.08 -0.00 -0.17 -0.04 0.93 0.80 1d0hA1 ILE 923 HD13 0.10 -0.02 -0.08 -0.04 0.88 0.84 1d0hA1 HIS 924 H 0.18 0.67 0.32 -0.55 8.41 9.03 1d0hA1 HIS 924 HA 0.09 0.22 1.08 -0.75 4.63 5.28 1d0hA1 HIS 924 HB2 0.06 -0.01 -0.26 -0.04 3.26 3.01 1d0hA1 HIS 924 HB3 0.02 -0.10 -0.03 -0.04 3.20 3.04 1d0hA1 HIS 924 HD2 -0.08 -0.05 -0.19 -0.04 6.97 6.61 1d0hA1 HIS 924 HE1 -0.47 -0.03 -0.17 -0.04 7.75 7.05 1d0hA1 LEU 925 H -0.20 0.69 0.33 -0.55 8.37 8.64 1d0hA1 LEU 925 HA -0.06 0.16 1.10 -0.75 4.35 4.81 1d0hA1 LEU 925 HB2 -0.04 -0.05 0.09 -0.04 1.64 1.60 1d0hA1 LEU 925 HB3 -0.04 0.11 0.03 -0.04 1.64 1.70 1d0hA1 LEU 925 HG 0.02 -0.10 -0.37 -0.04 1.64 1.15 1d0hA1 LEU 925 HD13 -0.02 -0.02 -0.26 -0.04 0.93 0.59 1d0hA1 LEU 925 HD23 -0.01 0.08 -0.25 -0.04 0.89 0.67 1d0hA1 VAL 926 H -0.06 0.17 0.26 -0.55 8.24 8.06 1d0hA1 VAL 926 HA -0.04 0.28 0.96 -0.75 4.13 4.57 1d0hA1 VAL 926 HB -0.01 -0.01 0.13 -0.04 2.12 2.19 1d0hA1 VAL 926 HG13 -0.04 0.00 -0.11 -0.04 0.97 0.78 1d0hA1 VAL 926 HG23 -0.01 0.00 -0.00 -0.04 0.95 0.90 1d0hA1 ASN 927 H -0.04 0.26 0.14 -0.55 8.53 8.34 1d0hA1 ASN 927 HA -0.08 0.12 0.55 -0.75 4.76 4.59 1d0hA1 ASN 927 HB2 -0.14 0.16 0.08 -0.04 2.88 2.94 1d0hA1 ASN 927 HB3 -0.10 0.20 0.30 -0.04 2.79 3.15 1d0hA1 ASN 927 HD21 -0.20 0.24 -0.26 -0.04 7.03 6.77 1d0hA1 ASN 927 HD22 -0.21 0.26 -0.23 -0.04 7.74 7.52 1d0hA1 ASN 928 H -0.05 0.60 0.19 -0.55 8.53 8.73 1d0hA1 ASN 928 HA -0.04 0.15 0.61 -0.75 4.76 4.73 1d0hA1 ASN 928 HB2 -0.02 -0.08 0.17 -0.04 2.88 2.92 1d0hA1 ASN 928 HB3 -0.02 0.15 -0.08 -0.04 2.79 2.80 1d0hA1 ASN 928 HD21 0.00 0.04 -0.09 -0.04 7.03 6.93 1d0hA1 ASN 928 HD22 -0.01 0.06 -0.14 -0.04 7.74 7.61 1d0hA1 GLU 929 H -0.03 0.17 0.15 -0.55 8.60 8.34 1d0hA1 GLU 929 HA -0.07 0.13 0.34 -0.75 4.29 3.94 1d0hA1 GLU 929 HB2 -0.01 0.01 -0.07 -0.04 2.09 1.97 1d0hA1 GLU 929 HB3 -0.04 0.04 0.06 -0.04 1.99 2.01 1d0hA1 GLU 929 HG2 -0.01 0.02 0.04 -0.04 2.34 2.34 1d0hA1 GLU 929 HG3 -0.03 0.05 0.05 -0.04 2.34 2.37 1d0hA1 SER 930 H -0.00 0.06 -0.22 -0.55 8.46 7.75 1d0hA1 SER 930 HA 0.08 0.21 0.75 -0.75 4.49 4.78 1d0hA1 SER 930 HB2 0.09 -0.09 0.18 -0.04 3.95 4.09 1d0hA1 SER 930 HB3 0.07 0.03 0.07 -0.04 3.93 4.06 1d0hA1 SER 931 H -0.03 0.50 -0.47 -0.55 8.46 7.91 1d0hA1 SER 931 HA 0.02 0.02 0.37 -0.75 4.49 4.15 1d0hA1 SER 931 HB2 -0.01 -0.09 0.00 -0.04 3.95 3.82 1d0hA1 SER 931 HB3 -0.03 0.21 0.31 -0.04 3.93 4.38 1d0hA1 GLU 932 H 0.02 0.28 0.09 -0.55 8.60 8.44 1d0hA1 GLU 932 HA -0.07 0.31 0.70 -0.75 4.29 4.48 1d0hA1 GLU 932 HB2 -0.20 0.02 0.03 -0.04 2.09 1.90 1d0hA1 GLU 932 HB3 -0.18 0.13 -0.27 -0.04 1.99 1.63 1d0hA1 GLU 932 HG2 -0.51 -0.01 -0.24 -0.04 2.34 1.54 1d0hA1 GLU 932 HG3 -0.70 -0.08 -0.22 -0.04 2.34 1.31 1d0hA1 VAL 933 H -0.06 0.61 0.32 -0.55 8.24 8.56 1d0hA1 VAL 933 HA 0.09 0.26 0.90 -0.75 4.13 4.62 1d0hA1 VAL 933 HB -0.01 -0.05 0.15 -0.04 2.12 2.17 1d0hA1 VAL 933 HG13 0.05 -0.01 -0.20 -0.04 0.97 0.76 1d0hA1 VAL 933 HG23 0.05 -0.00 -0.09 -0.04 0.95 0.87 1d0hA1 ILE 934 H 0.12 0.71 0.31 -0.55 8.25 8.84 1d0hA1 ILE 934 HA -0.06 0.30 1.16 -0.75 4.18 4.82 1d0hA1 ILE 934 HB 0.20 -0.04 0.09 -0.04 1.89 2.10 1d0hA1 ILE 934 HG12 -0.13 0.03 -0.12 -0.04 1.49 1.23 1d0hA1 ILE 934 HG13 -0.09 -0.05 -0.32 -0.04 1.21 0.70 1d0hA1 ILE 934 HG23 -0.29 -0.00 -0.24 -0.04 0.93 0.36 1d0hA1 ILE 934 HD13 -0.04 -0.00 -0.11 -0.04 0.88 0.69 1d0hA1 VAL 935 H -0.06 0.68 0.29 -0.55 8.24 8.60 1d0hA1 VAL 935 HA 0.11 0.24 0.88 -0.75 4.13 4.61 1d0hA1 VAL 935 HB 0.02 -0.05 0.19 -0.04 2.12 2.24 1d0hA1 VAL 935 HG13 0.10 -0.01 -0.25 -0.04 0.97 0.76 1d0hA1 VAL 935 HG23 0.06 0.01 -0.17 -0.04 0.95 0.81 1d0hA1 HIS 936 H 0.28 0.79 0.23 -0.55 8.41 9.16 1d0hA1 HIS 936 HA -0.01 0.17 0.95 -0.75 4.63 4.99 1d0hA1 HIS 936 HB2 0.01 -0.06 0.22 -0.04 3.26 3.40 1d0hA1 HIS 936 HB3 -0.00 0.05 0.06 -0.04 3.20 3.28 1d0hA1 HIS 936 HD2 0.02 0.11 -0.17 -0.04 6.97 6.90 1d0hA1 HIS 936 HE1 0.02 -0.01 -0.07 -0.04 7.75 7.64 1d0hA1 LYS 937 H -0.01 0.49 0.20 -0.55 8.42 8.55 1d0hA1 LYS 937 HA 0.03 -0.12 0.28 -0.75 4.32 3.76 1d0hA1 LYS 937 HB2 -0.03 0.05 0.10 -0.04 1.87 1.95 1d0hA1 LYS 937 HB3 -0.05 0.08 -0.19 -0.04 1.79 1.59 1d0hA1 LYS 937 HG2 0.00 -0.09 -0.03 -0.04 1.46 1.30 1d0hA1 LYS 937 HG3 -0.02 0.02 -0.08 -0.04 1.46 1.33 1d0hA1 LYS 937 HD2 -0.06 0.01 0.03 -0.04 1.69 1.63 1d0hA1 LYS 937 HD3 -0.06 0.26 0.02 -0.04 1.68 1.86 1d0hA1 LYS 937 HE2 0.05 -0.08 -0.08 -0.04 2.99 2.84 1d0hA1 LYS 937 HE3 -0.03 0.04 -0.10 -0.04 2.99 2.85 1d0hA1 ALA 938 H 0.03 0.02 0.15 -0.55 8.40 8.06 1d0hA1 ALA 938 HA 0.04 0.13 0.55 -0.75 4.34 4.31 1d0hA1 ALA 938 HB3 0.10 -0.02 0.04 -0.04 1.41 1.49 1d0hA1 MET 939 H 0.02 0.17 0.17 -0.55 8.47 8.29 1d0hA1 MET 939 HA -0.05 0.10 0.32 -0.75 4.52 4.14 1d0hA1 MET 939 HB2 0.01 0.04 0.17 -0.04 2.15 2.33 1d0hA1 MET 939 HB3 0.02 -0.02 0.12 -0.04 2.03 2.11 1d0hA1 MET 939 HG2 0.01 0.01 -0.12 -0.04 2.63 2.48 1d0hA1 MET 939 HG3 -0.00 0.01 0.05 -0.04 2.56 2.58 1d0hA1 MET 939 HE3 0.04 0.00 -0.00 -0.04 2.10 2.10 1d0hA1 ASP 940 H 0.06 0.09 -0.14 -0.55 8.40 7.87 1d0hA1 ASP 940 HA 0.03 0.06 0.38 -0.75 4.63 4.35 1d0hA1 ASP 940 HB2 0.35 -0.01 0.05 -0.04 2.71 3.06 1d0hA1 ASP 940 HB3 0.28 0.05 0.02 -0.04 2.70 3.00 1d0hA1 ILE 941 H -0.08 0.20 -0.29 -0.55 8.25 7.52 1d0hA1 ILE 941 HA -0.23 0.17 0.90 -0.75 4.18 4.26 1d0hA1 ILE 941 HB -0.24 -0.03 0.19 -0.04 1.89 1.77 1d0hA1 ILE 941 HG12 -0.32 0.05 0.08 -0.04 1.49 1.26 1d0hA1 ILE 941 HG13 -0.12 0.09 0.03 -0.04 1.21 1.18 1d0hA1 ILE 941 HG23 -0.74 0.01 -0.05 -0.04 0.93 0.11 1d0hA1 ILE 941 HD13 -0.09 -0.03 0.00 -0.04 0.88 0.73 1d0hA1 GLU 942 H -0.50 0.43 -0.30 -0.55 8.60 7.68 1d0hA1 GLU 942 HA -0.15 0.10 0.37 -0.75 4.29 3.85 1d0hA1 GLU 942 HB2 -0.13 -0.04 -0.01 -0.04 2.09 1.88 1d0hA1 GLU 942 HB3 -0.17 0.06 0.03 -0.04 1.99 1.87 1d0hA1 GLU 942 HG2 -0.78 0.22 0.10 -0.04 2.34 1.84 1d0hA1 GLU 942 HG3 -0.71 -0.09 -0.06 -0.04 2.34 1.44 1d0hA1 TYR 943 H -0.84 0.14 -0.13 -0.55 8.29 6.90 1d0hA1 TYR 943 HA -0.04 0.24 0.89 -0.75 4.56 4.90 1d0hA1 TYR 943 HB2 0.01 -0.06 0.18 -0.04 3.06 3.15 1d0hA1 TYR 943 HB3 0.00 0.06 -0.01 -0.04 2.98 2.99 1d0hA1 TYR 943 HD2 0.02 0.01 -0.26 -0.04 7.15 6.88 1d0hA1 TYR 943 HE2 0.04 0.02 0.02 -0.04 6.85 6.88 1d0hA1 ASN 944 H 0.01 0.29 -0.24 -0.55 8.53 8.05 1d0hA1 ASN 944 HA 0.20 0.08 0.41 -0.75 4.76 4.69 1d0hA1 ASN 944 HB2 -0.02 0.08 0.03 -0.04 2.88 2.92 1d0hA1 ASN 944 HB3 0.04 0.05 0.10 -0.04 2.79 2.94 1d0hA1 ASN 944 HD21 0.05 0.03 0.03 -0.04 7.03 7.10 1d0hA1 ASN 944 HD22 0.03 0.03 0.06 -0.04 7.74 7.81 1d0hA1 ASP 945 H -0.02 0.11 -0.51 -0.55 8.40 7.43 1d0hA1 ASP 945 HA -0.02 0.29 0.81 -0.75 4.63 4.96 1d0hA1 ASP 945 HB2 -0.66 0.04 0.07 -0.04 2.71 2.12 1d0hA1 ASP 945 HB3 -0.48 -0.00 -0.20 -0.04 2.70 1.98 1d0hA1 MET 946 H -0.04 0.33 -0.03 -0.55 8.47 8.19 1d0hA1 MET 946 HA -0.26 0.57 0.72 -0.75 4.52 4.80 1d0hA1 MET 946 HB2 -0.16 0.03 0.17 -0.04 2.15 2.14 1d0hA1 MET 946 HB3 -0.39 -0.04 0.13 -0.04 2.03 1.69 1d0hA1 MET 946 HG2 -1.52 -0.03 -0.09 -0.04 2.63 0.94 1d0hA1 MET 946 HG3 -0.60 -0.12 -0.02 -0.04 2.56 1.78 1d0hA1 MET 946 HE3 0.04 0.00 0.02 -0.04 2.10 2.13 1d0hA1 PHE 947 H -0.00 0.01 0.03 -0.55 8.34 7.83 1d0hA1 PHE 947 HA 0.07 0.28 0.74 -0.75 4.62 4.96 1d0hA1 PHE 947 HB2 0.03 -0.01 -0.05 -0.04 3.15 3.08 1d0hA1 PHE 947 HB3 0.04 0.01 0.09 -0.04 3.06 3.16 1d0hA1 PHE 947 HD2 0.02 0.05 -0.08 -0.04 7.28 7.23 1d0hA1 PHE 947 HE2 0.01 -0.03 -0.05 -0.04 7.38 7.27 1d0hA1 PHE 947 HZ 0.01 -0.01 -0.04 -0.04 7.32 7.24 1d0hA1 ASN 948 H 0.12 -0.04 -0.10 -0.55 8.53 7.97 1d0hA1 ASN 948 HA 0.16 0.09 0.77 -0.75 4.76 5.02 1d0hA1 ASN 948 HB2 0.13 -0.13 0.08 -0.04 2.88 2.92 1d0hA1 ASN 948 HB3 0.13 0.57 0.19 -0.04 2.79 3.64 1d0hA1 ASN 948 HD21 0.09 0.03 0.12 -0.04 7.03 7.23 1d0hA1 ASN 948 HD22 0.11 -0.05 0.22 -0.04 7.74 7.99 1d0hA1 ASN 949 H 0.13 0.04 0.19 -0.55 8.53 8.34 1d0hA1 ASN 949 HA 0.17 0.11 0.61 -0.75 4.76 4.90 1d0hA1 ASN 949 HB2 0.08 -0.06 0.06 -0.04 2.88 2.91 1d0hA1 ASN 949 HB3 0.04 0.14 0.12 -0.04 2.79 3.05 1d0hA1 ASN 949 HD21 0.04 -0.03 0.10 -0.04 7.03 7.10 1d0hA1 ASN 949 HD22 0.03 -0.02 0.11 -0.04 7.74 7.82 1d0hA1 PHE 950 H -0.04 0.35 0.32 -0.55 8.34 8.42 1d0hA1 PHE 950 HA 0.03 0.14 0.71 -0.75 4.62 4.74 1d0hA1 PHE 950 HB2 0.01 0.03 0.15 -0.04 3.15 3.30 1d0hA1 PHE 950 HB3 0.05 0.12 -0.18 -0.04 3.06 3.01 1d0hA1 PHE 950 HD2 -0.04 0.08 -0.16 -0.04 7.28 7.12 1d0hA1 PHE 950 HE2 -0.23 0.00 -0.10 -0.04 7.38 7.01 1d0hA1 PHE 950 HZ 0.25 -0.02 -0.09 -0.04 7.32 7.42 1d0hA1 THR 951 H 0.15 0.56 0.46 -0.55 8.28 8.90 1d0hA1 THR 951 HA -0.32 0.29 1.13 -0.75 4.39 4.74 1d0hA1 THR 951 HB 0.09 -0.04 0.15 -0.04 4.32 4.47 1d0hA1 THR 951 HG23 -0.18 0.00 -0.23 -0.04 1.22 0.77 1d0hA1 VAL 952 H -0.39 0.57 0.37 -0.55 8.24 8.23 1d0hA1 VAL 952 HA -0.20 0.32 1.09 -0.75 4.13 4.59 1d0hA1 VAL 952 HB -0.52 -0.02 0.15 -0.04 2.12 1.69 1d0hA1 VAL 952 HG13 -0.02 -0.00 -0.13 -0.04 0.97 0.78 1d0hA1 VAL 952 HG23 -0.39 -0.01 -0.10 -0.04 0.95 0.41 1d0hA1 SER 953 H -0.20 0.67 0.39 -0.55 8.46 8.77 1d0hA1 SER 953 HA -0.42 0.28 0.91 -0.75 4.49 4.50 1d0hA1 SER 953 HB2 -0.35 0.07 0.11 -0.04 3.95 3.75 1d0hA1 SER 953 HB3 -0.06 -0.10 -0.10 -0.04 3.93 3.62 1d0hA1 PHE 954 H -0.77 0.57 0.33 -0.55 8.34 7.91 1d0hA1 PHE 954 HA 0.12 0.17 0.38 -0.75 4.62 4.54 1d0hA1 PHE 954 HB2 0.28 0.07 0.05 -0.04 3.15 3.50 1d0hA1 PHE 954 HB3 0.28 -0.00 0.02 -0.04 3.06 3.32 1d0hA1 PHE 954 HD2 0.11 0.09 -0.45 -0.04 7.28 7.00 1d0hA1 PHE 954 HE2 0.05 0.00 -0.17 -0.04 7.38 7.23 1d0hA1 PHE 954 HZ 0.08 -0.00 -0.11 -0.04 7.32 7.24 1d0hA1 TRP 955 H 0.54 0.66 0.33 -0.55 7.97 8.95 1d0hA1 TRP 955 HA 0.30 0.17 0.90 -0.75 4.62 5.24 1d0hA1 TRP 955 HB2 -0.01 -0.09 0.12 -0.04 3.23 3.20 1d0hA1 TRP 955 HB3 0.12 0.05 -0.05 -0.04 3.23 3.31 1d0hA1 TRP 955 HD1 -0.39 0.00 -0.10 -0.04 7.22 6.70 1d0hA1 TRP 955 HE1 -1.45 0.04 -0.06 -0.04 10.20 8.68 1d0hA1 TRP 955 HE3 0.37 0.04 -0.29 -0.04 7.59 7.67 1d0hA1 TRP 955 HZ2 -0.06 0.11 -0.05 -0.04 7.44 7.40 1d0hA1 TRP 955 HZ3 0.42 0.17 -0.26 -0.04 7.13 7.42 1d0hA1 TRP 955 HH2 0.29 0.06 -0.07 -0.04 7.19 7.43 1d0hA1 LEU 956 H 0.58 0.76 0.49 -0.55 8.37 9.66 1d0hA1 LEU 956 HA 0.57 0.27 1.05 -0.75 4.35 5.49 1d0hA1 LEU 956 HB2 0.56 -0.03 -0.16 -0.04 1.64 1.97 1d0hA1 LEU 956 HB3 0.19 -0.01 0.07 -0.04 1.64 1.85 1d0hA1 LEU 956 HG 0.18 0.02 -0.29 -0.04 1.64 1.50 1d0hA1 LEU 956 HD13 0.26 0.02 -0.01 -0.04 0.93 1.17 1d0hA1 LEU 956 HD23 0.19 -0.01 -0.10 -0.04 0.89 0.92 1d0hA1 ARG 957 H 0.01 0.49 0.28 -0.55 8.46 8.68 1d0hA1 ARG 957 HA -0.13 0.32 0.62 -0.75 4.34 4.40 1d0hA1 ARG 957 HB2 -2.03 -0.01 -0.21 -0.04 1.90 -0.40 1d0hA1 ARG 957 HB3 -0.89 -0.10 0.03 -0.04 1.80 0.80 1d0hA1 ARG 957 HG2 -0.35 -0.06 -0.44 -0.04 1.67 0.78 1d0hA1 ARG 957 HG3 -0.52 0.07 -0.61 -0.04 1.67 0.58 1d0hA1 ARG 957 HD2 -1.48 0.00 -0.19 -0.04 3.22 1.51 1d0hA1 ARG 957 HD3 -0.58 -0.09 -0.18 -0.04 3.22 2.33 1d0hA1 VAL 958 H -0.02 0.26 0.05 -0.55 8.24 7.98 1d0hA1 VAL 958 HA -0.05 0.20 0.88 -0.75 4.13 4.41 1d0hA1 VAL 958 HB 0.03 -0.09 0.06 -0.04 2.12 2.08 1d0hA1 VAL 958 HG13 0.01 0.09 -0.04 -0.04 0.97 0.98 1d0hA1 VAL 958 HG23 0.06 -0.02 -0.15 -0.04 0.95 0.79 1d0hA1 PRO 959 HA -0.12 0.03 0.41 -0.51 4.44 4.25 1d0hA1 PRO 959 HB2 -0.21 0.13 0.05 -0.04 2.28 2.20 1d0hA1 PRO 959 HB3 -0.20 -0.07 0.11 -0.04 2.02 1.81 1d0hA1 PRO 959 HG2 -0.32 -0.01 0.05 -0.04 2.03 1.70 1d0hA1 PRO 959 HG3 -1.04 0.00 0.09 -0.04 2.03 1.04 1d0hA1 PRO 959 HD2 -0.18 0.14 0.31 -0.04 3.68 3.91 1d0hA1 PRO 959 HD3 -0.23 0.13 0.12 -0.04 3.65 3.63 1d0hA1 LYS 960 H -0.10 0.60 0.23 -0.55 8.42 8.60 1d0hA1 LYS 960 HA -0.12 0.15 0.60 -0.75 4.32 4.20 1d0hA1 LYS 960 HB2 -0.29 0.05 0.07 -0.04 1.87 1.66 1d0hA1 LYS 960 HB3 -0.47 -0.05 0.10 -0.04 1.79 1.33 1d0hA1 LYS 960 HG2 -0.43 0.05 -0.43 -0.04 1.46 0.61 1d0hA1 LYS 960 HG3 -0.36 0.02 0.03 -0.04 1.46 1.11 1d0hA1 LYS 960 HD2 -0.94 -0.06 -0.09 -0.04 1.69 0.56 1d0hA1 LYS 960 HD3 -1.72 0.05 -0.05 -0.04 1.68 -0.08 1d0hA1 LYS 960 HE2 -2.69 -0.09 -0.13 -0.04 2.99 0.04 1d0hA1 LYS 960 HE3 -2.68 0.00 -0.12 -0.04 2.99 0.14 1d0hA1 VAL 961 H -0.09 0.19 0.14 -0.55 8.24 7.93 1d0hA1 VAL 961 HA -0.03 0.04 0.48 -0.75 4.13 3.87 1d0hA1 VAL 961 HB -0.01 -0.02 0.05 -0.04 2.12 2.10 1d0hA1 VAL 961 HG13 0.09 0.02 -0.21 -0.04 0.97 0.83 1d0hA1 VAL 961 HG23 0.01 0.04 -0.02 -0.04 0.95 0.94 1d0hA1 SER 962 H -0.07 0.10 0.11 -0.55 8.46 8.06 1d0hA1 SER 962 HA -0.18 0.16 0.33 -0.75 4.49 4.04 1d0hA1 SER 962 HB2 -0.21 -0.05 0.08 -0.04 3.95 3.73 1d0hA1 SER 962 HB3 -0.25 0.18 0.09 -0.04 3.93 3.91 1d0hA1 ALA 963 H -0.13 0.16 0.12 -0.55 8.40 8.00 1d0hA1 ALA 963 HA 0.02 0.16 0.47 -0.75 4.34 4.23 1d0hA1 ALA 963 HB3 0.03 0.02 0.11 -0.04 1.41 1.54 1d0hA1 SER 964 H -0.09 0.12 -0.08 -0.55 8.46 7.86 1d0hA1 SER 964 HA -0.01 0.10 0.28 -0.75 4.49 4.10 1d0hA1 SER 964 HB2 -0.13 0.02 0.04 -0.04 3.95 3.83 1d0hA1 SER 964 HB3 -0.03 0.05 0.05 -0.04 3.93 3.96 1d0hA1 HIS 965 H -0.08 0.08 -0.39 -0.55 8.41 7.48 1d0hA1 HIS 965 HA 0.04 0.05 0.40 -0.75 4.63 4.37 1d0hA1 HIS 965 HB2 0.03 0.02 0.04 -0.04 3.26 3.31 1d0hA1 HIS 965 HB3 0.17 0.05 0.03 -0.04 3.20 3.40 1d0hA1 HIS 965 HD2 0.07 0.00 -0.20 -0.04 6.97 6.79 1d0hA1 HIS 965 HE1 0.02 0.06 -0.04 -0.04 7.75 7.75 1d0hA1 LEU 966 H 0.06 0.42 -0.34 -0.55 8.37 7.96 1d0hA1 LEU 966 HA 0.09 0.06 0.45 -0.75 4.35 4.19 1d0hA1 LEU 966 HB2 0.04 0.07 0.14 -0.04 1.64 1.86 1d0hA1 LEU 966 HB3 0.04 0.00 0.00 -0.04 1.64 1.65 1d0hA1 LEU 966 HG 0.04 0.09 -0.14 -0.04 1.64 1.58 1d0hA1 LEU 966 HD13 0.03 0.00 -0.05 -0.04 0.93 0.87 1d0hA1 LEU 966 HD23 0.04 0.00 0.00 -0.04 0.89 0.89 1d0hA1 GLU 967 H 0.03 0.38 -0.08 -0.55 8.60 8.38 1d0hA1 GLU 967 HA 0.01 0.07 0.43 -0.75 4.29 4.05 1d0hA1 GLU 967 HB2 -0.01 0.07 0.15 -0.04 2.09 2.26 1d0hA1 GLU 967 HB3 -0.01 -0.02 0.03 -0.04 1.99 1.94 1d0hA1 GLU 967 HG2 0.02 -0.03 0.01 -0.04 2.34 2.30 1d0hA1 GLU 967 HG3 0.01 0.25 0.03 -0.04 2.34 2.59 1d0hA1 GLN 968 H -0.04 0.53 0.00 -0.55 8.47 8.42 1d0hA1 GLN 968 HA -0.17 0.07 0.45 -0.75 4.36 3.95 1d0hA1 GLN 968 HB2 -0.20 -0.03 0.07 -0.04 2.15 1.95 1d0hA1 GLN 968 HB3 -0.24 0.02 0.11 -0.04 2.02 1.86 1d0hA1 GLN 968 HG2 -2.24 -0.01 -0.24 -0.04 2.40 -0.13 1d0hA1 GLN 968 HG3 -0.66 0.01 -0.05 -0.04 2.39 1.65 1d0hA1 GLN 968 HE21 -0.08 -0.02 -0.02 -0.04 6.97 6.80 1d0hA1 GLN 968 HE22 -0.27 0.02 -0.03 -0.04 7.69 7.36 1d0hA1 TYR 969 H 0.02 0.51 -0.17 -0.55 8.29 8.09 1d0hA1 TYR 969 HA -0.00 0.19 0.98 -0.75 4.56 4.97 1d0hA1 TYR 969 HB2 -0.02 0.20 0.11 -0.04 3.06 3.30 1d0hA1 TYR 969 HB3 -0.03 -0.05 0.20 -0.04 2.98 3.06 1d0hA1 TYR 969 HD2 -0.15 0.03 0.00 -0.04 7.15 6.99 1d0hA1 TYR 969 HE2 -0.28 0.02 -0.11 -0.04 6.85 6.43 1d0hA1 GLY 970 H 0.06 0.41 -0.20 -0.55 8.43 8.15 1d0hA1 GLY 970 HA2 0.09 -0.07 0.38 -0.51 4.01 3.89 1d0hA1 GLY 970 HA3 0.05 0.20 0.38 -0.51 4.01 4.14 1d0hA1 THR 971 H 0.06 0.12 -0.30 -0.55 8.28 7.61 1d0hA1 THR 971 HA 0.04 0.17 0.68 -0.75 4.39 4.53 1d0hA1 THR 971 HB 0.02 -0.01 0.11 -0.04 4.32 4.40 1d0hA1 THR 971 HG23 0.02 0.00 -0.06 -0.04 1.22 1.14 1d0hA1 ASN 972 H 0.10 0.41 -0.28 -0.55 8.53 8.21 1d0hA1 ASN 972 HA 0.07 0.08 0.70 -0.75 4.76 4.86 1d0hA1 ASN 972 HB2 0.12 -0.06 0.08 -0.04 2.88 2.98 1d0hA1 ASN 972 HB3 0.14 0.16 0.27 -0.04 2.79 3.33 1d0hA1 ASN 972 HD21 0.03 0.30 0.09 -0.04 7.03 7.41 1d0hA1 ASN 972 HD22 0.06 0.00 0.04 -0.04 7.74 7.81 1d0hA1 GLU 973 H 0.05 0.18 0.20 -0.55 8.60 8.49 1d0hA1 GLU 973 HA 0.01 0.28 0.78 -0.75 4.29 4.60 1d0hA1 GLU 973 HB2 0.01 -0.00 -0.03 -0.04 2.09 2.03 1d0hA1 GLU 973 HB3 0.01 -0.03 0.10 -0.04 1.99 2.03 1d0hA1 GLU 973 HG2 -0.02 -0.02 -0.38 -0.04 2.34 1.87 1d0hA1 GLU 973 HG3 -0.05 0.04 -0.21 -0.04 2.34 2.07 1d0hA1 TYR 974 H -0.26 0.64 0.36 -0.55 8.29 8.48 1d0hA1 TYR 974 HA -0.03 0.26 0.93 -0.75 4.56 4.96 1d0hA1 TYR 974 HB2 -0.05 -0.05 -0.26 -0.04 3.06 2.67 1d0hA1 TYR 974 HB3 -0.05 0.03 -0.49 -0.04 2.98 2.43 1d0hA1 TYR 974 HD2 -0.05 0.14 -0.13 -0.04 7.15 7.07 1d0hA1 TYR 974 HE2 -0.05 -0.01 -0.08 -0.04 6.85 6.67 1d0hA1 SER 975 H 0.04 0.36 0.25 -0.55 8.46 8.57 1d0hA1 SER 975 HA -0.05 0.11 0.88 -0.75 4.49 4.68 1d0hA1 SER 975 HB2 -0.03 0.00 0.09 -0.04 3.95 3.98 1d0hA1 SER 975 HB3 -0.03 -0.02 0.02 -0.04 3.93 3.86 1d0hA1 ILE 976 H 0.00 0.51 0.46 -0.55 8.25 8.68 1d0hA1 ILE 976 HA 0.03 0.31 0.83 -0.75 4.18 4.60 1d0hA1 ILE 976 HB 0.02 -0.07 -0.06 -0.04 1.89 1.74 1d0hA1 ILE 976 HG12 0.02 0.09 -0.06 -0.04 1.49 1.49 1d0hA1 ILE 976 HG13 -0.01 -0.03 -0.11 -0.04 1.21 1.02 1d0hA1 ILE 976 HG23 0.09 0.01 -0.19 -0.04 0.93 0.79 1d0hA1 ILE 976 HD13 0.08 -0.01 -0.14 -0.04 0.88 0.78 1d0hA1 ILE 977 H 0.02 0.28 0.38 -0.55 8.25 8.38 1d0hA1 ILE 977 HA -0.11 0.33 0.93 -0.75 4.18 4.59 1d0hA1 ILE 977 HB 0.17 -0.09 0.10 -0.04 1.89 2.03 1d0hA1 ILE 977 HG12 -0.22 0.10 -0.16 -0.04 1.49 1.16 1d0hA1 ILE 977 HG13 -0.15 -0.07 -0.28 -0.04 1.21 0.68 1d0hA1 ILE 977 HG23 -0.18 -0.01 -0.14 -0.04 0.93 0.57 1d0hA1 ILE 977 HD13 -0.71 -0.00 -0.11 -0.04 0.88 0.02 1d0hA1 SER 978 H -0.20 0.54 0.29 -0.55 8.46 8.55 1d0hA1 SER 978 HA -0.39 0.16 0.95 -0.75 4.49 4.46 1d0hA1 SER 978 HB2 -0.14 0.03 -0.09 -0.04 3.95 3.72 1d0hA1 SER 978 HB3 -0.18 0.05 -0.00 -0.04 3.93 3.75 1d0hA1 SER 979 H -1.05 0.63 0.35 -0.55 8.46 7.84 1d0hA1 SER 979 HA -0.52 0.35 1.08 -0.75 4.49 4.65 1d0hA1 SER 979 HB2 -0.56 0.09 0.21 -0.04 3.95 3.65 1d0hA1 SER 979 HB3 -1.45 -0.04 0.05 -0.04 3.93 2.45 1d0hA1 MET 980 H -0.36 0.12 -0.02 -0.55 8.47 7.66 1d0hA1 MET 980 HA -0.23 0.20 1.11 -0.75 4.52 4.85 1d0hA1 MET 980 HB2 -0.16 -0.03 0.00 -0.04 2.15 1.92 1d0hA1 MET 980 HB3 -0.14 0.12 -0.19 -0.04 2.03 1.77 1d0hA1 MET 980 HG2 -0.20 -0.00 -0.59 -0.04 2.63 1.80 1d0hA1 MET 980 HG3 -0.30 -0.09 -0.12 -0.04 2.56 2.01 1d0hA1 MET 980 HE3 -0.13 -0.03 -0.41 -0.04 2.10 1.49 1d0hA1 LYS 981 H -0.13 0.12 0.20 -0.55 8.42 8.06 1d0hA1 LYS 981 HA -0.10 0.04 0.29 -0.75 4.32 3.80 1d0hA1 LYS 981 HB2 -0.07 0.08 0.15 -0.04 1.87 1.98 1d0hA1 LYS 981 HB3 -0.05 -0.13 0.08 -0.04 1.79 1.65 1d0hA1 LYS 981 HG2 -0.06 -0.00 0.09 -0.04 1.46 1.45 1d0hA1 LYS 981 HG3 -0.08 0.01 0.12 -0.04 1.46 1.47 1d0hA1 LYS 981 HD2 -0.04 0.06 0.03 -0.04 1.69 1.70 1d0hA1 LYS 981 HD3 -0.02 -0.14 0.02 -0.04 1.68 1.49 1d0hA1 LYS 981 HE2 -0.02 0.03 -0.01 -0.04 2.99 2.96 1d0hA1 LYS 981 HE3 -0.03 0.00 0.01 -0.04 2.99 2.94 1d0hA1 LYS 982 H -0.02 -0.21 0.21 -0.55 8.42 7.85 1d0hA1 LYS 982 HA -0.04 0.14 0.41 -0.75 4.32 4.08 1d0hA1 LYS 982 HB2 -0.05 0.31 -0.23 -0.04 1.87 1.85 1d0hA1 LYS 982 HB3 -0.02 -0.05 -0.13 -0.04 1.79 1.55 1d0hA1 LYS 982 HG2 -0.02 -0.02 -0.08 -0.04 1.46 1.30 1d0hA1 LYS 982 HG3 -0.02 -0.03 0.04 -0.04 1.46 1.41 1d0hA1 LYS 982 HD2 -0.04 0.00 0.04 -0.04 1.69 1.65 1d0hA1 LYS 982 HD3 -0.05 0.07 -0.02 -0.04 1.68 1.64 1d0hA1 LYS 982 HE2 -0.03 0.02 -0.02 -0.04 2.99 2.92 1d0hA1 LYS 982 HE3 -0.03 -0.02 -0.05 -0.04 2.99 2.86 1d0hA1 HIS 983 H 0.07 -0.05 0.13 -0.55 8.41 8.02 1d0hA1 HIS 983 HA -0.03 0.29 0.73 -0.75 4.63 4.86 1d0hA1 HIS 983 HB2 -0.04 0.04 -0.01 -0.04 3.26 3.21 1d0hA1 HIS 983 HB3 -0.04 -0.04 0.11 -0.04 3.20 3.19 1d0hA1 HIS 983 HD2 -0.03 0.02 -0.01 -0.04 6.97 6.91 1d0hA1 HIS 983 HE1 -0.01 -0.00 0.03 -0.04 7.75 7.72 1d0hA1 SER 984 H -0.02 0.04 -0.47 -0.55 8.46 7.46 1d0hA1 SER 984 HA -0.06 0.16 0.53 -0.75 4.49 4.37 1d0hA1 SER 984 HB2 -0.00 0.03 -0.02 -0.04 3.95 3.91 1d0hA1 SER 984 HB3 0.04 0.16 -0.21 -0.04 3.93 3.88 1d0hA1 LEU 985 H -0.02 0.01 -0.03 -0.55 8.37 7.78 1d0hA1 LEU 985 HA -0.03 0.16 0.71 -0.75 4.35 4.43 1d0hA1 LEU 985 HB2 -0.03 0.01 0.03 -0.04 1.64 1.61 1d0hA1 LEU 985 HB3 -0.04 -0.06 0.11 -0.04 1.64 1.61 1d0hA1 LEU 985 HG -0.03 0.05 0.00 -0.04 1.64 1.62 1d0hA1 LEU 985 HD13 -0.03 0.02 -0.01 -0.04 0.93 0.87 1d0hA1 LEU 985 HD23 -0.04 -0.03 -0.17 -0.04 0.89 0.60 1d0hA1 SER 986 H -0.03 0.23 0.04 -0.55 8.46 8.15 1d0hA1 SER 986 HA -0.04 0.07 0.21 -0.75 4.49 3.98 1d0hA1 SER 986 HB2 -0.03 -0.02 0.04 -0.04 3.95 3.90 1d0hA1 SER 986 HB3 -0.03 0.05 -0.02 -0.04 3.93 3.89 1d0hA1 ILE 987 H -0.04 0.03 -0.42 -0.55 8.25 7.27 1d0hA1 ILE 987 HA -0.04 0.17 0.56 -0.75 4.18 4.12 1d0hA1 ILE 987 HB -0.03 0.05 0.05 -0.04 1.89 1.91 1d0hA1 ILE 987 HG12 -0.02 -0.08 -0.21 -0.04 1.49 1.14 1d0hA1 ILE 987 HG13 -0.03 -0.03 -0.02 -0.04 1.21 1.09 1d0hA1 ILE 987 HG23 -0.03 0.01 -0.05 -0.04 0.93 0.83 1d0hA1 ILE 987 HD13 -0.02 0.01 -0.05 -0.04 0.88 0.78 1d0hA1 GLY 988 H -0.05 0.24 -0.06 -0.55 8.43 8.00 1d0hA1 GLY 988 HA2 -0.07 -0.18 0.28 -0.51 4.01 3.53 1d0hA1 GLY 988 HA3 -0.09 0.24 0.22 -0.51 4.01 3.87 1d0hA1 SER 989 H -0.07 -0.03 0.09 -0.55 8.46 7.91 1d0hA1 SER 989 HA -0.06 0.14 0.43 -0.75 4.49 4.24 1d0hA1 SER 989 HB2 -0.04 0.13 -0.25 -0.04 3.95 3.75 1d0hA1 SER 989 HB3 -0.06 -0.01 0.07 -0.04 3.93 3.89 1d0hA1 GLY 990 H -0.06 0.60 0.35 -0.55 8.43 8.77 1d0hA1 GLY 990 HA2 -0.10 -0.05 0.18 -0.51 4.01 3.53 1d0hA1 GLY 990 HA3 -0.24 0.16 0.74 -0.51 4.01 4.15 1d0hA1 TRP 991 H -0.71 0.08 0.16 -0.55 7.97 6.95 1d0hA1 TRP 991 HA -0.37 0.46 1.06 -0.75 4.62 5.02 1d0hA1 TRP 991 HB2 -0.98 0.05 0.16 -0.04 3.23 2.42 1d0hA1 TRP 991 HB3 -0.09 0.00 -0.01 -0.04 3.23 3.10 1d0hA1 TRP 991 HD1 -0.08 0.04 -0.07 -0.04 7.22 7.07 1d0hA1 TRP 991 HE1 -0.10 0.03 -0.07 -0.04 10.20 10.03 1d0hA1 TRP 991 HE3 0.05 0.09 -0.46 -0.04 7.59 7.22 1d0hA1 TRP 991 HZ2 0.23 0.02 -0.11 -0.04 7.44 7.53 1d0hA1 TRP 991 HZ3 0.22 0.01 -0.30 -0.04 7.13 7.01 1d0hA1 TRP 991 HH2 0.30 -0.00 -0.18 -0.04 7.19 7.27 1d0hA1 SER 992 H -0.35 0.51 0.41 -0.55 8.46 8.48 1d0hA1 SER 992 HA 0.17 0.12 0.69 -0.75 4.49 4.72 1d0hA1 SER 992 HB2 -0.03 0.05 0.13 -0.04 3.95 4.06 1d0hA1 SER 992 HB3 -0.13 0.01 -0.04 -0.04 3.93 3.73 1d0hA1 VAL 993 H 0.24 0.78 0.44 -0.55 8.24 9.15 1d0hA1 VAL 993 HA 0.39 0.29 1.09 -0.75 4.13 5.15 1d0hA1 VAL 993 HB 0.19 -0.13 0.22 -0.04 2.12 2.36 1d0hA1 VAL 993 HG13 0.31 0.01 -0.11 -0.04 0.97 1.14 1d0hA1 VAL 993 HG23 0.63 -0.00 -0.08 -0.04 0.95 1.46 1d0hA1 SER 994 H 0.11 0.76 0.39 -0.55 8.46 9.17 1d0hA1 SER 994 HA -0.08 0.15 0.93 -0.75 4.49 4.73 1d0hA1 SER 994 HB2 -0.12 0.15 -0.17 -0.04 3.95 3.77 1d0hA1 SER 994 HB3 -0.03 -0.07 -0.25 -0.04 3.93 3.53 1d0hA1 LEU 995 H -0.44 0.58 0.33 -0.55 8.37 8.29 1d0hA1 LEU 995 HA -0.11 0.31 0.99 -0.75 4.35 4.78 1d0hA1 LEU 995 HB2 -1.10 -0.01 0.11 -0.04 1.64 0.59 1d0hA1 LEU 995 HB3 -0.22 0.09 0.05 -0.04 1.64 1.53 1d0hA1 LEU 995 HG -0.13 -0.12 -0.34 -0.04 1.64 1.02 1d0hA1 LEU 995 HD13 -0.00 0.00 -0.07 -0.04 0.93 0.82 1d0hA1 LEU 995 HD23 0.02 0.03 0.01 -0.04 0.89 0.91 1d0hA1 LYS 996 H -0.05 0.52 0.00 -0.55 8.42 8.34 1d0hA1 LYS 996 HA 0.01 0.26 0.53 -0.75 4.32 4.37 1d0hA1 LYS 996 HB2 -0.02 -0.04 -0.19 -0.04 1.87 1.58 1d0hA1 LYS 996 HB3 -0.00 -0.07 -0.01 -0.04 1.79 1.67 1d0hA1 LYS 996 HG2 0.03 0.28 -0.25 -0.04 1.46 1.48 1d0hA1 LYS 996 HG3 0.04 -0.06 -0.64 -0.04 1.46 0.76 1d0hA1 LYS 996 HD2 0.01 -0.06 -0.12 -0.04 1.69 1.48 1d0hA1 LYS 996 HD3 0.01 -0.05 -0.08 -0.04 1.68 1.53 1d0hA1 LYS 996 HE2 0.02 0.00 0.03 -0.04 2.99 3.01 1d0hA1 LYS 996 HE3 0.03 0.23 -0.09 -0.04 2.99 3.12 1d0hA1 GLY 997 H 0.10 0.18 0.04 -0.55 8.43 8.21 1d0hA1 GLY 997 HA2 0.08 -0.00 0.35 -0.51 4.01 3.93 1d0hA1 GLY 997 HA3 0.05 0.10 0.47 -0.51 4.01 4.12 1d0hA1 ASN 998 H 0.02 0.16 0.22 -0.55 8.53 8.38 1d0hA1 ASN 998 HA 0.04 0.19 0.67 -0.75 4.76 4.91 1d0hA1 ASN 998 HB2 0.01 0.03 0.16 -0.04 2.88 3.04 1d0hA1 ASN 998 HB3 0.01 -0.05 0.23 -0.04 2.79 2.95 1d0hA1 ASN 998 HD21 -0.00 -0.01 -0.01 -0.04 7.03 6.96 1d0hA1 ASN 998 HD22 0.02 0.06 0.01 -0.04 7.74 7.78 1d0hA1 ASN 999 H 0.02 0.39 -0.38 -0.55 8.53 8.01 1d0hA1 ASN 999 HA 0.00 0.27 1.14 -0.75 4.76 5.42 1d0hA1 ASN 999 HB2 0.01 -0.03 -0.02 -0.04 2.88 2.79 1d0hA1 ASN 999 HB3 0.02 -0.01 -0.10 -0.04 2.79 2.65 1d0hA1 ASN 999 HD21 -0.00 -0.05 -0.04 -0.04 7.03 6.89 1d0hA1 ASN 999 HD22 0.01 0.18 0.03 -0.04 7.74 7.91 1d0hA1 LEU 1000 H 0.20 0.52 0.28 -0.55 8.37 8.81 1d0hA1 LEU 1000 HA 0.08 0.24 0.90 -0.75 4.35 4.82 1d0hA1 LEU 1000 HB2 0.17 -0.00 0.01 -0.04 1.64 1.77 1d0hA1 LEU 1000 HB3 0.22 -0.06 0.13 -0.04 1.64 1.89 1d0hA1 LEU 1000 HG 0.12 -0.02 -0.20 -0.04 1.64 1.50 1d0hA1 LEU 1000 HD13 0.14 0.05 -0.02 -0.04 0.93 1.06 1d0hA1 LEU 1000 HD23 -0.03 -0.01 -0.10 -0.04 0.89 0.70 1d0hA1 ILE 1001 H 0.09 0.86 0.29 -0.55 8.25 8.93 1d0hA1 ILE 1001 HA 0.14 0.34 1.12 -0.75 4.18 5.03 1d0hA1 ILE 1001 HB 0.04 -0.07 -0.07 -0.04 1.89 1.75 1d0hA1 ILE 1001 HG12 0.05 -0.00 -0.15 -0.04 1.49 1.34 1d0hA1 ILE 1001 HG13 0.05 -0.10 -0.76 -0.04 1.21 0.37 1d0hA1 ILE 1001 HG23 0.04 -0.01 -0.28 -0.04 0.93 0.65 1d0hA1 ILE 1001 HD13 0.00 0.00 -0.28 -0.04 0.88 0.56 1d0hA1 TRP 1002 H 0.29 0.51 0.32 -0.55 7.97 8.54 1d0hA1 TRP 1002 HA 0.09 0.29 1.09 -0.75 4.62 5.33 1d0hA1 TRP 1002 HB2 0.02 -0.01 0.02 -0.04 3.23 3.22 1d0hA1 TRP 1002 HB3 0.01 -0.09 0.15 -0.04 3.23 3.26 1d0hA1 TRP 1002 HD1 -0.01 -0.06 -0.23 -0.04 7.22 6.87 1d0hA1 TRP 1002 HE1 -0.08 -0.02 -0.19 -0.04 10.20 9.87 1d0hA1 TRP 1002 HE3 0.14 0.04 -0.03 -0.04 7.59 7.69 1d0hA1 TRP 1002 HZ2 -0.24 0.00 -0.13 -0.04 7.44 7.04 1d0hA1 TRP 1002 HZ3 -0.01 -0.04 -0.18 -0.04 7.13 6.85 1d0hA1 TRP 1002 HH2 -1.02 -0.03 -0.10 -0.04 7.19 5.99 1d0hA1 THR 1003 H -0.49 0.59 0.33 -0.55 8.28 8.17 1d0hA1 THR 1003 HA -0.24 0.29 1.00 -0.75 4.39 4.69 1d0hA1 THR 1003 HB -0.09 0.07 0.17 -0.04 4.32 4.44 1d0hA1 THR 1003 HG23 -0.06 -0.01 -0.29 -0.04 1.22 0.81 1d0hA1 LEU 1004 H -0.17 0.68 0.35 -0.55 8.37 8.68 1d0hA1 LEU 1004 HA -0.11 0.21 0.90 -0.75 4.35 4.60 1d0hA1 LEU 1004 HB2 -0.01 -0.02 0.15 -0.04 1.64 1.72 1d0hA1 LEU 1004 HB3 0.05 0.01 -0.06 -0.04 1.64 1.61 1d0hA1 LEU 1004 HG -0.02 -0.05 -0.17 -0.04 1.64 1.36 1d0hA1 LEU 1004 HD13 0.20 -0.00 -0.11 -0.04 0.93 0.98 1d0hA1 LEU 1004 HD23 0.33 0.02 -0.03 -0.04 0.89 1.16 1d0hA1 LYS 1005 H -0.03 0.54 0.25 -0.55 8.42 8.63 1d0hA1 LYS 1005 HA -0.02 0.31 1.01 -0.75 4.32 4.87 1d0hA1 LYS 1005 HB2 -0.06 -0.02 -0.20 -0.04 1.87 1.55 1d0hA1 LYS 1005 HB3 -0.06 0.00 0.06 -0.04 1.79 1.75 1d0hA1 LYS 1005 HG2 -0.03 0.06 -0.13 -0.04 1.46 1.31 1d0hA1 LYS 1005 HG3 -0.03 0.06 -0.23 -0.04 1.46 1.21 1d0hA1 LYS 1005 HD2 -0.05 -0.05 -0.17 -0.04 1.69 1.37 1d0hA1 LYS 1005 HD3 -0.05 0.13 -0.30 -0.04 1.68 1.41 1d0hA1 LYS 1005 HE2 -0.03 -0.04 -0.05 -0.04 2.99 2.83 1d0hA1 LYS 1005 HE3 -0.03 0.06 -0.08 -0.04 2.99 2.90 1d0hA1 ASP 1006 H -0.00 0.49 0.19 -0.55 8.40 8.53 1d0hA1 ASP 1006 HA -0.01 0.21 0.80 -0.75 4.63 4.88 1d0hA1 ASP 1006 HB2 0.01 0.06 -0.03 -0.04 2.71 2.71 1d0hA1 ASP 1006 HB3 0.02 0.10 -0.05 -0.04 2.70 2.73 1d0hA1 SER 1007 H -0.01 0.54 0.31 -0.55 8.46 8.76 1d0hA1 SER 1007 HA -0.02 0.13 0.47 -0.75 4.49 4.32 1d0hA1 SER 1007 HB2 -0.01 0.02 0.15 -0.04 3.95 4.08 1d0hA1 SER 1007 HB3 -0.02 0.02 0.15 -0.04 3.93 4.04 1d0hA1 ALA 1008 H 0.01 -0.00 -0.27 -0.55 8.40 7.59 1d0hA1 ALA 1008 HA 0.00 0.18 0.63 -0.75 4.34 4.40 1d0hA1 ALA 1008 HB3 0.01 -0.01 0.08 -0.04 1.41 1.45 1d0hA1 GLY 1009 H -0.01 0.41 -0.42 -0.55 8.43 7.87 1d0hA1 GLY 1009 HA2 -0.02 0.12 0.22 -0.51 4.01 3.83 1d0hA1 GLY 1009 HA3 -0.01 0.08 0.48 -0.51 4.01 4.05 1d0hA1 GLU 1010 H 0.00 -0.17 -0.26 -0.55 8.60 7.62 1d0hA1 GLU 1010 HA 0.00 0.14 0.44 -0.75 4.29 4.12 1d0hA1 GLU 1010 HB2 0.01 0.00 0.03 -0.04 2.09 2.10 1d0hA1 GLU 1010 HB3 0.02 -0.17 0.04 -0.04 1.99 1.83 1d0hA1 GLU 1010 HG2 0.02 0.10 -0.11 -0.04 2.34 2.30 1d0hA1 GLU 1010 HG3 0.01 0.05 -0.09 -0.04 2.34 2.27 1d0hA1 VAL 1011 H 0.00 0.19 0.20 -0.55 8.24 8.09 1d0hA1 VAL 1011 HA -0.01 0.29 1.14 -0.75 4.13 4.80 1d0hA1 VAL 1011 HB -0.01 -0.05 0.06 -0.04 2.12 2.08 1d0hA1 VAL 1011 HG13 -0.02 -0.01 -0.29 -0.04 0.97 0.61 1d0hA1 VAL 1011 HG23 -0.03 0.03 -0.19 -0.04 0.95 0.73 1d0hA1 ARG 1012 H -0.01 0.62 0.33 -0.55 8.46 8.85 1d0hA1 ARG 1012 HA 0.02 0.18 0.95 -0.75 4.34 4.73 1d0hA1 ARG 1012 HB2 0.04 -0.07 0.06 -0.04 1.90 1.89 1d0hA1 ARG 1012 HB3 0.05 0.00 -0.03 -0.04 1.80 1.78 1d0hA1 ARG 1012 HG2 0.03 -0.10 -0.33 -0.04 1.67 1.22 1d0hA1 ARG 1012 HG3 0.05 0.01 -0.00 -0.04 1.67 1.69 1d0hA1 ARG 1012 HD2 0.03 0.03 0.11 -0.04 3.22 3.36 1d0hA1 ARG 1012 HD3 0.02 0.09 0.16 -0.04 3.22 3.44 1d0hA1 GLN 1013 H 0.03 0.23 0.18 -0.55 8.47 8.37 1d0hA1 GLN 1013 HA 0.03 0.35 1.11 -0.75 4.36 5.09 1d0hA1 GLN 1013 HB2 0.03 -0.05 -0.04 -0.04 2.15 2.04 1d0hA1 GLN 1013 HB3 0.04 0.04 -0.11 -0.04 2.02 1.95 1d0hA1 GLN 1013 HG2 -0.02 0.05 -0.08 -0.04 2.40 2.31 1d0hA1 GLN 1013 HG3 -0.00 -0.05 -0.27 -0.04 2.39 2.03 1d0hA1 GLN 1013 HE21 0.01 0.00 -0.11 -0.04 6.97 6.83 1d0hA1 GLN 1013 HE22 0.01 -0.03 -0.11 -0.04 7.69 7.52 1d0hA1 ILE 1014 H 0.17 0.57 0.24 -0.55 8.25 8.68 1d0hA1 ILE 1014 HA 0.08 0.21 0.88 -0.75 4.18 4.60 1d0hA1 ILE 1014 HB 0.20 -0.07 0.08 -0.04 1.89 2.05 1d0hA1 ILE 1014 HG12 0.09 0.07 -0.40 -0.04 1.49 1.21 1d0hA1 ILE 1014 HG13 0.26 -0.01 -0.29 -0.04 1.21 1.13 1d0hA1 ILE 1014 HG23 0.05 0.00 -0.21 -0.04 0.93 0.74 1d0hA1 ILE 1014 HD13 -0.00 0.00 -0.42 -0.04 0.88 0.42 1d0hA1 THR 1015 H 0.06 0.22 0.06 -0.55 8.28 8.07 1d0hA1 THR 1015 HA 0.09 0.22 0.99 -0.75 4.39 4.94 1d0hA1 THR 1015 HB 0.02 -0.02 0.15 -0.04 4.32 4.44 1d0hA1 THR 1015 HG23 0.01 0.01 -0.15 -0.04 1.22 1.05 1d0hA1 PHE 1016 H 0.19 0.80 0.27 -0.55 8.34 9.04 1d0hA1 PHE 1016 HA -0.01 0.16 0.91 -0.75 4.62 4.92 1d0hA1 PHE 1016 HB2 -0.05 -0.03 -0.03 -0.04 3.15 3.00 1d0hA1 PHE 1016 HB3 -0.01 0.02 0.15 -0.04 3.06 3.18 1d0hA1 PHE 1016 HD2 -0.02 0.04 -0.05 -0.04 7.28 7.21 1d0hA1 PHE 1016 HE2 0.05 -0.06 -0.04 -0.04 7.38 7.29 1d0hA1 PHE 1016 HZ 0.19 -0.09 -0.01 -0.04 7.32 7.37 1d0hA1 ARG 1017 H -0.48 0.19 0.17 -0.55 8.46 7.79 1d0hA1 ARG 1017 HA -0.24 0.13 0.63 -0.75 4.34 4.11 1d0hA1 ARG 1017 HB2 -0.14 -0.02 0.03 -0.04 1.90 1.73 1d0hA1 ARG 1017 HB3 -0.24 -0.04 0.19 -0.04 1.80 1.67 1d0hA1 ARG 1017 HG2 -0.09 -0.06 -0.02 -0.04 1.67 1.46 1d0hA1 ARG 1017 HG3 -0.14 0.24 -0.18 -0.04 1.67 1.54 1d0hA1 ARG 1017 HD2 -0.08 0.02 -0.01 -0.04 3.22 3.10 1d0hA1 ARG 1017 HD3 -0.06 -0.06 -0.02 -0.04 3.22 3.04 1d0hA1 ASP 1018 H -0.17 0.59 0.36 -0.55 8.40 8.62 1d0hA1 ASP 1018 HA -0.20 -0.04 0.40 -0.75 4.63 4.04 1d0hA1 ASP 1018 HB2 0.11 0.10 0.15 -0.04 2.71 3.04 1d0hA1 ASP 1018 HB3 0.03 0.10 0.08 -0.04 2.70 2.87 1d0hA1 LEU 1019 H 0.14 -0.02 0.18 -0.55 8.37 8.13 1d0hA1 LEU 1019 HA 0.02 0.10 0.50 -0.75 4.35 4.22 1d0hA1 LEU 1019 HB2 0.01 -0.07 0.05 -0.04 1.64 1.59 1d0hA1 LEU 1019 HB3 0.02 -0.06 0.00 -0.04 1.64 1.56 1d0hA1 LEU 1019 HG 0.29 -0.04 0.12 -0.04 1.64 1.97 1d0hA1 LEU 1019 HD13 0.04 0.02 -0.02 -0.04 0.93 0.93 1d0hA1 LEU 1019 HD23 0.11 0.01 0.05 -0.04 0.89 1.02 1d0hA1 PRO 1020 HA -0.01 0.24 0.60 -0.51 4.44 4.76 1d0hA1 PRO 1020 HB2 0.10 -0.12 -0.13 -0.04 2.28 2.10 1d0hA1 PRO 1020 HB3 0.07 0.23 0.11 -0.04 2.02 2.39 1d0hA1 PRO 1020 HG2 0.14 -0.06 0.07 -0.04 2.03 2.13 1d0hA1 PRO 1020 HG3 0.09 0.05 0.08 -0.04 2.03 2.21 1d0hA1 PRO 1020 HD2 0.03 0.01 0.23 -0.04 3.68 3.92 1d0hA1 PRO 1020 HD3 0.02 0.23 0.24 -0.04 3.65 4.10 1d0hA1 ASP 1021 H -0.18 0.08 -0.13 -0.55 8.40 7.62 1d0hA1 ASP 1021 HA -0.76 0.29 0.68 -0.75 4.63 4.09 1d0hA1 ASP 1021 HB2 -0.40 0.02 0.05 -0.04 2.71 2.34 1d0hA1 ASP 1021 HB3 -0.06 0.01 0.12 -0.04 2.70 2.72 1d0hA1 LYS 1022 H 0.13 0.61 0.42 -0.55 8.42 9.02 1d0hA1 LYS 1022 HA 0.08 0.07 0.21 -0.75 4.32 3.94 1d0hA1 LYS 1022 HB2 -0.03 -0.05 0.10 -0.04 1.87 1.85 1d0hA1 LYS 1022 HB3 -0.19 0.04 0.09 -0.04 1.79 1.68 1d0hA1 LYS 1022 HG2 0.16 0.02 0.11 -0.04 1.46 1.71 1d0hA1 LYS 1022 HG3 -0.12 -0.02 0.01 -0.04 1.46 1.28 1d0hA1 LYS 1022 HD2 -0.02 -0.05 -0.07 -0.04 1.69 1.52 1d0hA1 LYS 1022 HD3 0.01 -0.02 -0.37 -0.04 1.68 1.25 1d0hA1 LYS 1022 HE2 0.03 0.04 0.15 -0.04 2.99 3.17 1d0hA1 LYS 1022 HE3 0.00 -0.07 0.02 -0.04 2.99 2.90 1d0hA1 PHE 1023 H 0.44 -0.01 -0.12 -0.55 8.34 8.10 1d0hA1 PHE 1023 HA 0.26 0.14 0.37 -0.75 4.62 4.64 1d0hA1 PHE 1023 HB2 0.19 -0.10 0.11 -0.04 3.15 3.31 1d0hA1 PHE 1023 HB3 0.12 -0.05 -0.03 -0.04 3.06 3.05 1d0hA1 PHE 1023 HD2 -0.05 -0.01 -0.12 -0.04 7.28 7.05 1d0hA1 PHE 1023 HE2 -0.28 -0.02 -0.05 -0.04 7.38 7.00 1d0hA1 PHE 1023 HZ -0.35 -0.01 -0.04 -0.04 7.32 6.89 1d0hA1 ASN 1024 H 0.19 0.10 -0.22 -0.55 8.53 8.05 1d0hA1 ASN 1024 HA -0.05 0.27 0.87 -0.75 4.76 5.10 1d0hA1 ASN 1024 HB2 0.07 -0.03 0.05 -0.04 2.88 2.93 1d0hA1 ASN 1024 HB3 0.02 -0.01 0.12 -0.04 2.79 2.88 1d0hA1 ASN 1024 HD21 0.28 -0.01 -0.09 -0.04 7.03 7.18 1d0hA1 ASN 1024 HD22 0.19 -0.04 -0.04 -0.04 7.74 7.81 1d0hA1 ALA 1025 H 0.01 0.18 -0.34 -0.55 8.40 7.71 1d0hA1 ALA 1025 HA -0.31 0.00 0.39 -0.75 4.34 3.66 1d0hA1 ALA 1025 HB3 0.01 0.01 -0.08 -0.04 1.41 1.31 1d0hA1 TYR 1026 H 0.01 0.02 0.15 -0.55 8.29 7.92 1d0hA1 TYR 1026 HA 0.08 0.25 0.57 -0.75 4.56 4.71 1d0hA1 TYR 1026 HB2 0.17 -0.03 0.05 -0.04 3.06 3.21 1d0hA1 TYR 1026 HB3 0.01 -0.01 0.02 -0.04 2.98 2.97 1d0hA1 TYR 1026 HD2 0.17 -0.03 0.03 -0.04 7.15 7.28 1d0hA1 TYR 1026 HE2 0.08 0.00 -0.01 -0.04 6.85 6.87 1d0hA1 LEU 1027 H 0.17 0.07 -0.15 -0.55 8.37 7.91 1d0hA1 LEU 1027 HA 0.12 0.20 0.86 -0.75 4.35 4.78 1d0hA1 LEU 1027 HB2 0.09 0.00 0.12 -0.04 1.64 1.82 1d0hA1 LEU 1027 HB3 0.08 0.05 0.11 -0.04 1.64 1.84 1d0hA1 LEU 1027 HG 0.26 -0.15 -0.17 -0.04 1.64 1.53 1d0hA1 LEU 1027 HD13 0.16 0.03 -0.23 -0.04 0.93 0.85 1d0hA1 LEU 1027 HD23 0.13 0.04 -0.16 -0.04 0.89 0.86 1d0hA1 ALA 1028 H 0.11 0.27 -0.58 -0.55 8.40 7.65 1d0hA1 ALA 1028 HA 0.03 0.17 0.63 -0.75 4.34 4.42 1d0hA1 ALA 1028 HB3 0.11 0.03 -0.01 -0.04 1.41 1.49 1d0hA1 ASN 1029 H 0.03 0.66 -0.01 -0.55 8.53 8.67 1d0hA1 ASN 1029 HA -0.09 0.00 0.09 -0.75 4.76 4.00 1d0hA1 ASN 1029 HB2 0.01 -0.06 -0.40 -0.04 2.88 2.39 1d0hA1 ASN 1029 HB3 -0.20 0.12 -0.03 -0.04 2.79 2.63 1d0hA1 ASN 1029 HD21 -0.86 -0.20 -0.16 -0.04 7.03 5.77 1d0hA1 ASN 1029 HD22 -2.15 0.08 -0.21 -0.04 7.74 5.43 1d0hA1 LYS 1030 H 0.18 0.05 -0.38 -0.55 8.42 7.72 1d0hA1 LYS 1030 HA 0.32 0.23 1.10 -0.75 4.32 5.21 1d0hA1 LYS 1030 HB2 0.16 -0.05 -0.06 -0.04 1.87 1.88 1d0hA1 LYS 1030 HB3 0.33 0.11 -0.04 -0.04 1.79 2.14 1d0hA1 LYS 1030 HG2 -0.18 0.11 0.09 -0.04 1.46 1.44 1d0hA1 LYS 1030 HG3 -0.01 0.01 -0.05 -0.04 1.46 1.37 1d0hA1 LYS 1030 HD2 -0.11 -0.01 -0.04 -0.04 1.69 1.48 1d0hA1 LYS 1030 HD3 -0.11 -0.01 0.02 -0.04 1.68 1.54 1d0hA1 LYS 1030 HE2 -0.62 -0.13 0.05 -0.04 2.99 2.25 1d0hA1 LYS 1030 HE3 -1.78 -0.00 0.06 -0.04 2.99 1.23 1d0hA1 TRP 1031 H 0.40 0.63 0.28 -0.55 7.97 8.73 1d0hA1 TRP 1031 HA 0.30 0.13 0.60 -0.75 4.62 4.89 1d0hA1 TRP 1031 HB2 0.09 0.06 0.17 -0.04 3.23 3.51 1d0hA1 TRP 1031 HB3 0.41 -0.08 -0.09 -0.04 3.23 3.42 1d0hA1 TRP 1031 HD1 -0.07 -0.01 -0.32 -0.04 7.22 6.78 1d0hA1 TRP 1031 HE1 -0.02 0.11 -0.23 -0.04 10.20 10.01 1d0hA1 TRP 1031 HE3 0.42 0.06 -0.32 -0.04 7.59 7.71 1d0hA1 TRP 1031 HZ2 0.05 0.16 -0.15 -0.04 7.44 7.46 1d0hA1 TRP 1031 HZ3 0.30 0.08 -0.59 -0.04 7.13 6.88 1d0hA1 TRP 1031 HH2 0.15 -0.03 -0.44 -0.04 7.19 6.83 1d0hA1 VAL 1032 H 0.63 0.57 0.48 -0.55 8.24 9.38 1d0hA1 VAL 1032 HA 0.45 0.18 0.92 -0.75 4.13 4.93 1d0hA1 VAL 1032 HB 0.09 -0.17 0.13 -0.04 2.12 2.13 1d0hA1 VAL 1032 HG13 0.34 0.02 -0.11 -0.04 0.97 1.18 1d0hA1 VAL 1032 HG23 0.16 0.03 0.08 -0.04 0.95 1.18 1d0hA1 PHE 1033 H -0.17 0.12 0.23 -0.55 8.34 7.96 1d0hA1 PHE 1033 HA -0.87 0.24 1.21 -0.75 4.62 4.45 1d0hA1 PHE 1033 HB2 -2.18 0.10 0.02 -0.04 3.15 1.04 1d0hA1 PHE 1033 HB3 -0.89 -0.16 0.18 -0.04 3.06 2.15 1d0hA1 PHE 1033 HD2 -1.26 -0.08 -0.18 -0.04 7.28 5.71 1d0hA1 PHE 1033 HE2 -0.22 -0.02 -0.18 -0.04 7.38 6.91 1d0hA1 PHE 1033 HZ 0.10 -0.03 -0.18 -0.04 7.32 7.18 1d0hA1 ILE 1034 H -0.95 0.81 0.41 -0.55 8.25 7.97 1d0hA1 ILE 1034 HA -0.68 0.23 0.81 -0.75 4.18 3.79 1d0hA1 ILE 1034 HB -1.82 0.01 0.11 -0.04 1.89 0.16 1d0hA1 ILE 1034 HG12 -0.50 0.07 -0.03 -0.04 1.49 0.99 1d0hA1 ILE 1034 HG13 -0.41 -0.02 -0.08 -0.04 1.21 0.66 1d0hA1 ILE 1034 HG23 -0.54 -0.01 -0.14 -0.04 0.93 0.21 1d0hA1 ILE 1034 HD13 -0.29 -0.01 -0.17 -0.04 0.88 0.36 1d0hA1 THR 1035 H -0.54 0.59 0.32 -0.55 8.28 8.10 1d0hA1 THR 1035 HA -0.56 0.28 0.91 -0.75 4.39 4.26 1d0hA1 THR 1035 HB -0.38 -0.11 0.02 -0.04 4.32 3.82 1d0hA1 THR 1035 HG23 -0.34 -0.01 -0.13 -0.04 1.22 0.70 1d0hA1 ILE 1036 H -0.47 0.68 0.28 -0.55 8.25 8.19 1d0hA1 ILE 1036 HA -0.41 0.35 1.19 -0.75 4.18 4.55 1d0hA1 ILE 1036 HB -1.32 -0.05 0.16 -0.04 1.89 0.64 1d0hA1 ILE 1036 HG12 -0.59 -0.01 -0.07 -0.04 1.49 0.79 1d0hA1 ILE 1036 HG13 -0.53 -0.08 -0.51 -0.04 1.21 0.05 1d0hA1 ILE 1036 HG23 -1.62 0.01 -0.18 -0.04 0.93 -0.90 1d0hA1 ILE 1036 HD13 -0.50 0.01 -0.11 -0.04 0.88 0.23 1d0hA1 THR 1037 H -0.21 0.48 0.32 -0.55 8.28 8.32 1d0hA1 THR 1037 HA -0.32 0.21 1.18 -0.75 4.39 4.70 1d0hA1 THR 1037 HB -0.16 -0.10 0.13 -0.04 4.32 4.15 1d0hA1 THR 1037 HG23 -0.22 0.06 -0.09 -0.04 1.22 0.93 1d0hA1 ASN 1038 H -0.32 0.71 0.35 -0.55 8.53 8.73 1d0hA1 ASN 1038 HA -0.11 0.18 1.01 -0.75 4.76 5.08 1d0hA1 ASN 1038 HB2 -0.60 -0.08 0.23 -0.04 2.88 2.38 1d0hA1 ASN 1038 HB3 -0.07 0.03 -0.04 -0.04 2.79 2.66 1d0hA1 ASN 1038 HD21 -0.76 -0.02 -0.28 -0.04 7.03 5.93 1d0hA1 ASN 1038 HD22 -1.18 0.35 -0.08 -0.04 7.74 6.78 1d0hA1 ASP 1039 H -0.03 0.83 0.16 -0.55 8.40 8.82 1d0hA1 ASP 1039 HA 0.02 0.09 0.88 -0.75 4.63 4.87 1d0hA1 ASP 1039 HB2 -0.01 0.05 0.07 -0.04 2.71 2.78 1d0hA1 ASP 1039 HB3 -0.00 -0.02 0.26 -0.04 2.70 2.90 1d0hA1 ARG 1040 H 0.08 0.21 -0.05 -0.55 8.46 8.15 1d0hA1 ARG 1040 HA 0.09 0.14 0.25 -0.75 4.34 4.06 1d0hA1 ARG 1040 HB2 0.11 -0.06 0.03 -0.04 1.90 1.93 1d0hA1 ARG 1040 HB3 0.12 0.07 -0.02 -0.04 1.80 1.94 1d0hA1 ARG 1040 HG2 0.16 -0.09 -0.42 -0.04 1.67 1.28 1d0hA1 ARG 1040 HG3 0.18 0.18 -0.46 -0.04 1.67 1.53 1d0hA1 ARG 1040 HD2 0.15 -0.14 -0.31 -0.04 3.22 2.89 1d0hA1 ARG 1040 HD3 0.25 0.11 -0.25 -0.04 3.22 3.28 1d0hA1 LEU 1041 H 0.05 -0.00 -0.27 -0.55 8.37 7.59 1d0hA1 LEU 1041 HA 0.04 0.15 0.48 -0.75 4.35 4.26 1d0hA1 LEU 1041 HB2 0.02 -0.04 -0.03 -0.04 1.64 1.55 1d0hA1 LEU 1041 HB3 0.02 0.02 0.10 -0.04 1.64 1.74 1d0hA1 LEU 1041 HG 0.04 -0.07 0.02 -0.04 1.64 1.59 1d0hA1 LEU 1041 HD13 0.02 0.00 0.01 -0.04 0.93 0.92 1d0hA1 LEU 1041 HD23 0.03 0.02 -0.06 -0.04 0.89 0.85 1d0hA1 SER 1042 H 0.03 0.41 -0.45 -0.55 8.46 7.91 1d0hA1 SER 1042 HA 0.02 0.19 0.84 -0.75 4.49 4.78 1d0hA1 SER 1042 HB2 0.01 -0.01 0.05 -0.04 3.95 3.96 1d0hA1 SER 1042 HB3 0.01 0.08 -0.03 -0.04 3.93 3.95 1d0hA1 SER 1043 H 0.00 0.09 0.21 -0.55 8.46 8.22 1d0hA1 SER 1043 HA 0.02 0.14 1.07 -0.75 4.49 4.96 1d0hA1 SER 1043 HB2 -0.01 0.08 0.00 -0.04 3.95 3.98 1d0hA1 SER 1043 HB3 0.00 -0.03 -0.25 -0.04 3.93 3.62 1d0hA1 ALA 1044 H 0.03 0.78 0.38 -0.55 8.40 9.04 1d0hA1 ALA 1044 HA -0.06 0.36 1.06 -0.75 4.34 4.95 1d0hA1 ALA 1044 HB3 0.12 -0.00 0.05 -0.04 1.41 1.54 1d0hA1 ASN 1045 H -0.14 0.54 0.32 -0.55 8.53 8.70 1d0hA1 ASN 1045 HA -0.17 0.25 1.19 -0.75 4.76 5.28 1d0hA1 ASN 1045 HB2 0.02 -0.06 0.09 -0.04 2.88 2.89 1d0hA1 ASN 1045 HB3 -0.40 0.02 -0.01 -0.04 2.79 2.36 1d0hA1 ASN 1045 HD21 -0.03 -0.03 -0.14 -0.04 7.03 6.79 1d0hA1 ASN 1045 HD22 -0.00 0.01 -0.12 -0.04 7.74 7.59 1d0hA1 LEU 1046 H -0.28 0.83 0.35 -0.55 8.37 8.72 1d0hA1 LEU 1046 HA -0.30 0.24 1.12 -0.75 4.35 4.66 1d0hA1 LEU 1046 HB2 -0.22 -0.00 -0.05 -0.04 1.64 1.33 1d0hA1 LEU 1046 HB3 -0.18 -0.06 0.06 -0.04 1.64 1.41 1d0hA1 LEU 1046 HG -0.37 -0.03 -0.68 -0.04 1.64 0.52 1d0hA1 LEU 1046 HD13 -0.31 0.02 -0.09 -0.04 0.93 0.51 1d0hA1 LEU 1046 HD23 -0.19 0.00 -0.19 -0.04 0.89 0.47 1d0hA1 TYR 1047 H -0.16 0.87 0.42 -0.55 8.29 8.86 1d0hA1 TYR 1047 HA -0.31 0.26 0.77 -0.75 4.56 4.53 1d0hA1 TYR 1047 HB2 -0.35 0.02 0.06 -0.04 3.06 2.75 1d0hA1 TYR 1047 HB3 -0.29 -0.07 -0.31 -0.04 2.98 2.27 1d0hA1 TYR 1047 HD2 -0.23 0.14 -0.36 -0.04 7.15 6.66 1d0hA1 TYR 1047 HE2 -0.15 -0.01 -0.10 -0.04 6.85 6.55 1d0hA1 ILE 1048 H -0.34 0.72 0.25 -0.55 8.25 8.34 1d0hA1 ILE 1048 HA -0.47 0.28 0.87 -0.75 4.18 4.12 1d0hA1 ILE 1048 HB -0.82 0.02 0.11 -0.04 1.89 1.15 1d0hA1 ILE 1048 HG12 -0.54 0.08 -0.08 -0.04 1.49 0.91 1d0hA1 ILE 1048 HG13 -0.76 -0.04 -0.26 -0.04 1.21 0.10 1d0hA1 ILE 1048 HG23 -0.51 -0.00 -0.02 -0.04 0.93 0.36 1d0hA1 ILE 1048 HD13 -0.94 0.00 -0.08 -0.04 0.88 -0.18 1d0hA1 ASN 1049 H -0.44 0.50 0.27 -0.55 8.53 8.31 1d0hA1 ASN 1049 HA -1.15 0.02 0.39 -0.75 4.76 3.27 1d0hA1 ASN 1049 HB2 -0.17 0.07 -0.10 -0.04 2.88 2.65 1d0hA1 ASN 1049 HB3 -0.22 0.03 0.20 -0.04 2.79 2.76 1d0hA1 ASN 1049 HD21 0.23 0.14 0.06 -0.04 7.03 7.42 1d0hA1 ASN 1049 HD22 0.19 0.01 -0.00 -0.04 7.74 7.90 1d0hA1 GLY 1050 H -0.40 0.11 -0.37 -0.55 8.43 7.22 1d0hA1 GLY 1050 HA2 -0.15 -0.06 0.11 -0.51 4.01 3.39 1d0hA1 GLY 1050 HA3 -0.10 0.08 0.36 -0.51 4.01 3.84 1d0hA1 VAL 1051 H -0.18 0.70 -0.34 -0.55 8.24 7.87 1d0hA1 VAL 1051 HA 0.01 0.08 0.83 -0.75 4.13 4.30 1d0hA1 VAL 1051 HB -0.14 0.10 0.08 -0.04 2.12 2.12 1d0hA1 VAL 1051 HG13 -0.05 0.02 -0.12 -0.04 0.97 0.78 1d0hA1 VAL 1051 HG23 -0.02 0.04 -0.07 -0.04 0.95 0.86 1d0hA1 LEU 1052 H -0.05 0.13 0.15 -0.55 8.37 8.05 1d0hA1 LEU 1052 HA -0.78 0.05 0.39 -0.75 4.35 3.25 1d0hA1 LEU 1052 HB2 -0.31 -0.03 0.10 -0.04 1.64 1.37 1d0hA1 LEU 1052 HB3 -0.17 0.01 0.17 -0.04 1.64 1.60 1d0hA1 LEU 1052 HG -0.27 0.01 -0.22 -0.04 1.64 1.12 1d0hA1 LEU 1052 HD13 -0.72 0.04 -0.00 -0.04 0.93 0.20 1d0hA1 LEU 1052 HD23 -0.14 -0.01 -0.04 -0.04 0.89 0.66 1d0hA1 MET 1053 H -0.39 0.72 0.55 -0.55 8.47 8.81 1d0hA1 MET 1053 HA -0.09 0.19 0.97 -0.75 4.52 4.84 1d0hA1 MET 1053 HB2 -0.47 -0.00 -0.02 -0.04 2.15 1.62 1d0hA1 MET 1053 HB3 -0.04 -0.03 0.16 -0.04 2.03 2.07 1d0hA1 MET 1053 HG2 -0.21 0.07 -0.58 -0.04 2.63 1.86 1d0hA1 MET 1053 HG3 -0.44 -0.00 -0.01 -0.04 2.56 2.07 1d0hA1 MET 1053 HE3 0.23 -0.00 0.05 -0.04 2.10 2.33 1d0hA1 GLY 1054 H -0.25 0.23 0.30 -0.55 8.43 8.16 1d0hA1 GLY 1054 HA2 -0.02 0.12 0.57 -0.51 4.01 4.16 1d0hA1 GLY 1054 HA3 -0.02 0.05 0.36 -0.51 4.01 3.89 1d0hA1 SER 1055 H -0.02 0.30 0.26 -0.55 8.46 8.45 1d0hA1 SER 1055 HA -0.07 0.28 0.90 -0.75 4.49 4.85 1d0hA1 SER 1055 HB2 -0.09 -0.04 -0.20 -0.04 3.95 3.58 1d0hA1 SER 1055 HB3 -0.04 -0.01 -0.05 -0.04 3.93 3.80 1d0hA1 ALA 1056 H 0.00 0.53 0.33 -0.55 8.40 8.72 1d0hA1 ALA 1056 HA 0.02 0.09 0.71 -0.75 4.34 4.40 1d0hA1 ALA 1056 HB3 0.06 0.05 -0.07 -0.04 1.41 1.41 1d0hA1 GLU 1057 H 0.02 0.16 0.18 -0.55 8.60 8.41 1d0hA1 GLU 1057 HA 0.02 0.16 0.78 -0.75 4.29 4.50 1d0hA1 GLU 1057 HB2 0.01 -0.02 0.11 -0.04 2.09 2.15 1d0hA1 GLU 1057 HB3 0.02 -0.01 0.23 -0.04 1.99 2.19 1d0hA1 GLU 1057 HG2 0.02 0.05 -0.01 -0.04 2.34 2.36 1d0hA1 GLU 1057 HG3 0.02 -0.02 0.09 -0.04 2.34 2.40 1d0hA1 ILE 1058 H 0.04 0.59 0.34 -0.55 8.25 8.67 1d0hA1 ILE 1058 HA 0.05 0.22 0.88 -0.75 4.18 4.58 1d0hA1 ILE 1058 HB 0.08 -0.03 0.04 -0.04 1.89 1.94 1d0hA1 ILE 1058 HG12 0.05 -0.01 -0.31 -0.04 1.49 1.18 1d0hA1 ILE 1058 HG13 0.07 0.08 -0.30 -0.04 1.21 1.02 1d0hA1 ILE 1058 HG23 0.09 0.02 -0.25 -0.04 0.93 0.74 1d0hA1 ILE 1058 HD13 0.09 -0.04 -0.41 -0.04 0.88 0.48 1d0hA1 THR 1059 H 0.03 0.04 -0.02 -0.55 8.28 7.79 1d0hA1 THR 1059 HA 0.05 0.23 0.49 -0.75 4.39 4.41 1d0hA1 THR 1059 HB 0.03 -0.04 0.09 -0.04 4.32 4.36 1d0hA1 THR 1059 HG23 0.03 0.01 -0.02 -0.04 1.22 1.21 1d0hA1 GLY 1060 H 0.05 0.18 0.14 -0.55 8.43 8.25 1d0hA1 GLY 1060 HA2 0.03 -0.05 0.27 -0.51 4.01 3.76 1d0hA1 GLY 1060 HA3 0.03 0.15 0.52 -0.51 4.01 4.20 1d0hA1 LEU 1061 H 0.05 0.41 -0.44 -0.55 8.37 7.85 1d0hA1 LEU 1061 HA 0.04 -0.01 0.57 -0.75 4.35 4.21 1d0hA1 LEU 1061 HB2 0.08 0.17 0.06 -0.04 1.64 1.90 1d0hA1 LEU 1061 HB3 0.06 -0.03 -0.08 -0.04 1.64 1.55 1d0hA1 LEU 1061 HG 0.05 0.08 -0.16 -0.04 1.64 1.57 1d0hA1 LEU 1061 HD13 0.07 -0.02 -0.11 -0.04 0.93 0.82 1d0hA1 LEU 1061 HD23 0.03 -0.03 -0.29 -0.04 0.89 0.56 1d0hA1 GLY 1062 H 0.05 -0.02 0.03 -0.55 8.43 7.94 1d0hA1 GLY 1062 HA2 0.12 0.19 0.67 -0.51 4.01 4.48 1d0hA1 GLY 1062 HA3 0.08 -0.09 0.38 -0.51 4.01 3.87 1d0hA1 ALA 1063 H 0.10 0.04 0.16 -0.55 8.40 8.15 1d0hA1 ALA 1063 HA -0.29 0.40 0.53 -0.75 4.34 4.23 1d0hA1 ALA 1063 HB3 -0.12 -0.01 0.06 -0.04 1.41 1.30 1d0hA1 ILE 1064 H -0.22 0.71 0.39 -0.55 8.25 8.58 1d0hA1 ILE 1064 HA -0.04 0.04 0.88 -0.75 4.18 4.30 1d0hA1 ILE 1064 HB 0.00 0.32 0.29 -0.04 1.89 2.46 1d0hA1 ILE 1064 HG12 0.04 -0.02 -0.22 -0.04 1.49 1.24 1d0hA1 ILE 1064 HG13 0.03 0.10 -0.27 -0.04 1.21 1.03 1d0hA1 ILE 1064 HG23 0.06 -0.04 -0.04 -0.04 0.93 0.88 1d0hA1 ILE 1064 HD13 0.16 -0.01 -0.11 -0.04 0.88 0.88 1d0hA1 ARG 1065 H -0.07 0.18 -0.02 -0.55 8.46 8.00 1d0hA1 ARG 1065 HA -0.09 0.17 0.88 -0.75 4.34 4.55 1d0hA1 ARG 1065 HB2 -0.08 -0.05 -0.11 -0.04 1.90 1.61 1d0hA1 ARG 1065 HB3 -0.06 -0.03 0.14 -0.04 1.80 1.81 1d0hA1 ARG 1065 HG2 -0.05 0.16 -0.09 -0.04 1.67 1.65 1d0hA1 ARG 1065 HG3 -0.04 -0.01 0.01 -0.04 1.67 1.59 1d0hA1 ARG 1065 HD2 -0.03 -0.05 0.02 -0.04 3.22 3.12 1d0hA1 ARG 1065 HD3 -0.03 -0.01 0.03 -0.04 3.22 3.16 1d0hA1 GLU 1066 H -0.10 0.14 -0.14 -0.55 8.60 7.95 1d0hA1 GLU 1066 HA -0.16 0.26 0.49 -0.75 4.29 4.13 1d0hA1 GLU 1066 HB2 -0.28 0.25 0.28 -0.04 2.09 2.30 1d0hA1 GLU 1066 HB3 -0.18 -0.16 0.08 -0.04 1.99 1.68 1d0hA1 GLU 1066 HG2 -0.12 0.43 -0.18 -0.04 2.34 2.43 1d0hA1 GLU 1066 HG3 -0.11 -0.09 -0.01 -0.04 2.34 2.08 1d0hA1 ASP 1067 H -0.19 0.59 0.48 -0.55 8.40 8.73 1d0hA1 ASP 1067 HA -0.09 0.01 0.58 -0.75 4.63 4.37 1d0hA1 ASP 1067 HB2 -0.13 -0.16 0.14 -0.04 2.71 2.52 1d0hA1 ASP 1067 HB3 -0.19 0.30 0.02 -0.04 2.70 2.79 1d0hA1 ASN 1068 H -0.08 0.09 0.15 -0.55 8.53 8.14 1d0hA1 ASN 1068 HA -0.07 0.21 0.54 -0.75 4.76 4.69 1d0hA1 ASN 1068 HB2 -0.03 0.03 0.17 -0.04 2.88 3.00 1d0hA1 ASN 1068 HB3 -0.04 0.02 0.10 -0.04 2.79 2.84 1d0hA1 ASN 1068 HD21 0.06 -0.01 -0.06 -0.04 7.03 6.97 1d0hA1 ASN 1068 HD22 0.04 0.03 -0.02 -0.04 7.74 7.75 1d0hA1 ASN 1069 H -0.16 0.04 -0.46 -0.55 8.53 7.40 1d0hA1 ASN 1069 HA -0.21 0.31 1.08 -0.75 4.76 5.18 1d0hA1 ASN 1069 HB2 -0.22 -0.08 -0.05 -0.04 2.88 2.49 1d0hA1 ASN 1069 HB3 -0.30 0.04 -0.17 -0.04 2.79 2.32 1d0hA1 ASN 1069 HD21 -0.21 0.01 -0.10 -0.04 7.03 6.69 1d0hA1 ASN 1069 HD22 -0.21 -0.01 -0.11 -0.04 7.74 7.37 1d0hA1 ILE 1070 H -0.14 0.62 0.28 -0.55 8.25 8.46 1d0hA1 ILE 1070 HA -0.26 0.21 0.86 -0.75 4.18 4.23 1d0hA1 ILE 1070 HB -0.00 -0.06 0.15 -0.04 1.89 1.94 1d0hA1 ILE 1070 HG12 0.01 0.01 -0.09 -0.04 1.49 1.38 1d0hA1 ILE 1070 HG13 -0.03 0.00 -0.27 -0.04 1.21 0.87 1d0hA1 ILE 1070 HG23 -0.04 -0.01 -0.20 -0.04 0.93 0.63 1d0hA1 ILE 1070 HD13 0.30 -0.01 -0.10 -0.04 0.88 1.03 1d0hA1 THR 1071 H -0.25 0.84 0.30 -0.55 8.28 8.62 1d0hA1 THR 1071 HA -0.15 0.22 1.24 -0.75 4.39 4.94 1d0hA1 THR 1071 HB -0.18 0.02 0.05 -0.04 4.32 4.17 1d0hA1 THR 1071 HG23 -0.15 0.00 -0.33 -0.04 1.22 0.70 1d0hA1 LEU 1072 H -0.13 0.69 0.35 -0.55 8.37 8.73 1d0hA1 LEU 1072 HA -0.14 0.26 0.90 -0.75 4.35 4.62 1d0hA1 LEU 1072 HB2 -0.09 0.00 0.28 -0.04 1.64 1.80 1d0hA1 LEU 1072 HB3 -0.08 0.01 0.02 -0.04 1.64 1.56 1d0hA1 LEU 1072 HG -0.29 0.03 -0.04 -0.04 1.64 1.30 1d0hA1 LEU 1072 HD13 -0.33 -0.04 -0.21 -0.04 0.93 0.31 1d0hA1 LEU 1072 HD23 -0.10 -0.02 -0.07 -0.04 0.89 0.66 1d0hA1 LYS 1073 H -0.07 0.69 0.21 -0.55 8.42 8.70 1d0hA1 LYS 1073 HA -0.06 0.12 0.61 -0.75 4.32 4.24 1d0hA1 LYS 1073 HB2 -0.12 0.02 -0.32 -0.04 1.87 1.40 1d0hA1 LYS 1073 HB3 -0.10 -0.09 -0.37 -0.04 1.79 1.20 1d0hA1 LYS 1073 HG2 -0.07 0.16 -0.49 -0.04 1.46 1.01 1d0hA1 LYS 1073 HG3 -0.09 0.13 0.07 -0.04 1.46 1.53 1d0hA1 LYS 1073 HD2 -0.12 -0.00 -0.09 -0.04 1.69 1.43 1d0hA1 LYS 1073 HD3 -0.18 -0.06 -0.15 -0.04 1.68 1.26 1d0hA1 LYS 1073 HE2 -0.13 -0.07 -0.13 -0.04 2.99 2.62 1d0hA1 LYS 1073 HE3 -0.11 -0.04 -0.24 -0.04 2.99 2.56 1d0hA1 LEU 1074 H -0.04 0.23 0.12 -0.55 8.37 8.12 1d0hA1 LEU 1074 HA 0.07 0.23 0.56 -0.75 4.35 4.45 1d0hA1 LEU 1074 HB2 -0.07 0.05 0.05 -0.04 1.64 1.63 1d0hA1 LEU 1074 HB3 -0.10 -0.09 -0.13 -0.04 1.64 1.28 1d0hA1 LEU 1074 HG 0.05 0.02 -0.12 -0.04 1.64 1.55 1d0hA1 LEU 1074 HD13 0.00 -0.00 -0.19 -0.04 0.93 0.70 1d0hA1 LEU 1074 HD23 -0.16 -0.02 -0.36 -0.04 0.89 0.31 1d0hA1 ASP 1075 H 0.08 0.65 0.21 -0.55 8.40 8.79 1d0hA1 ASP 1075 HA -0.03 0.10 0.89 -0.75 4.63 4.83 1d0hA1 ASP 1075 HB2 -0.04 0.14 -0.30 -0.04 2.71 2.47 1d0hA1 ASP 1075 HB3 -0.01 -0.11 0.14 -0.04 2.70 2.68 1d0hA1 ARG 1076 H -0.03 0.18 0.07 -0.55 8.46 8.13 1d0hA1 ARG 1076 HA -0.02 0.01 0.23 -0.75 4.34 3.81 1d0hA1 ARG 1076 HB2 0.01 0.04 -0.48 -0.04 1.90 1.43 1d0hA1 ARG 1076 HB3 0.04 0.15 0.34 -0.04 1.80 2.29 1d0hA1 ARG 1076 HG2 0.00 -0.00 0.08 -0.04 1.67 1.71 1d0hA1 ARG 1076 HG3 -0.01 -0.05 0.01 -0.04 1.67 1.58 1d0hA1 ARG 1076 HD2 -0.01 -0.01 -0.08 -0.04 3.22 3.09 1d0hA1 ARG 1076 HD3 -0.00 0.04 0.01 -0.04 3.22 3.23 1d0hA1 CYS 1077 H -0.09 0.05 -0.26 -0.55 8.50 7.66 1d0hA1 CYS 1077 HA -0.19 0.14 0.51 -0.75 4.58 4.29 1d0hA1 CYS 1077 HB2 -0.52 0.02 -0.14 -0.04 2.97 2.29 1d0hA1 CYS 1077 HB3 -0.32 0.03 -0.05 -0.04 2.97 2.59 1d0hA1 ASN 1078 H -0.18 0.21 0.14 -0.55 8.53 8.15 1d0hA1 ASN 1078 HA -0.10 0.12 0.40 -0.75 4.76 4.42 1d0hA1 ASN 1078 HB2 0.04 -0.00 0.03 -0.04 2.88 2.92 1d0hA1 ASN 1078 HB3 0.09 -0.02 0.06 -0.04 2.79 2.87 1d0hA1 ASN 1078 HD21 0.05 0.02 0.01 -0.04 7.03 7.07 1d0hA1 ASN 1078 HD22 0.12 -0.00 0.02 -0.04 7.74 7.83 1d0hA1 ASN 1079 H -0.64 0.08 -0.16 -0.55 8.53 7.26 1d0hA1 ASN 1079 HA -0.72 0.08 0.66 -0.75 4.76 4.02 1d0hA1 ASN 1079 HB2 -1.56 0.05 0.07 -0.04 2.88 1.39 1d0hA1 ASN 1079 HB3 -0.66 0.03 0.12 -0.04 2.79 2.24 1d0hA1 ASN 1079 HD21 -0.39 0.02 -0.10 -0.04 7.03 6.52 1d0hA1 ASN 1079 HD22 -0.45 0.06 -0.03 -0.04 7.74 7.29 1d0hA1 ASN 1080 H -0.16 0.20 0.19 -0.55 8.53 8.21 1d0hA1 ASN 1080 HA -0.13 0.18 0.32 -0.75 4.76 4.37 1d0hA1 ASN 1080 HB2 -0.05 -0.06 0.14 -0.04 2.88 2.87 1d0hA1 ASN 1080 HB3 -0.04 0.01 0.06 -0.04 2.79 2.78 1d0hA1 ASN 1080 HD21 -0.02 -0.00 0.04 -0.04 7.03 7.01 1d0hA1 ASN 1080 HD22 -0.02 -0.04 0.05 -0.04 7.74 7.69 1d0hA1 ASN 1081 H -0.14 -0.01 -0.27 -0.55 8.53 7.57 1d0hA1 ASN 1081 HA -0.00 0.19 0.73 -0.75 4.76 4.92 1d0hA1 ASN 1081 HB2 -0.01 -0.04 -0.02 -0.04 2.88 2.77 1d0hA1 ASN 1081 HB3 0.06 0.03 0.12 -0.04 2.79 2.96 1d0hA1 ASN 1081 HD21 0.05 0.01 -0.02 -0.04 7.03 7.03 1d0hA1 ASN 1081 HD22 0.06 -0.01 -0.01 -0.04 7.74 7.74 1d0hA1 GLN 1082 H -0.21 0.40 -0.33 -0.55 8.47 7.77 1d0hA1 GLN 1082 HA -0.27 0.04 0.51 -0.75 4.36 3.88 1d0hA1 GLN 1082 HB2 -0.39 -0.12 0.06 -0.04 2.15 1.66 1d0hA1 GLN 1082 HB3 -0.36 0.09 0.04 -0.04 2.02 1.75 1d0hA1 GLN 1082 HG2 -0.68 -0.06 -0.09 -0.04 2.40 1.54 1d0hA1 GLN 1082 HG3 -0.22 0.08 -0.27 -0.04 2.39 1.93 1d0hA1 GLN 1082 HE21 -0.11 -0.00 0.07 -0.04 6.97 6.88 1d0hA1 GLN 1082 HE22 -0.11 0.33 0.11 -0.04 7.69 7.97 1d0hA1 TYR 1083 H -0.48 0.27 0.28 -0.55 8.29 7.81 1d0hA1 TYR 1083 HA -0.16 0.24 0.68 -0.75 4.56 4.57 1d0hA1 TYR 1083 HB2 -0.47 0.05 0.13 -0.04 3.06 2.73 1d0hA1 TYR 1083 HB3 -0.15 -0.03 -0.00 -0.04 2.98 2.76 1d0hA1 TYR 1083 HD2 0.01 0.10 -0.25 -0.04 7.15 6.97 1d0hA1 TYR 1083 HE2 0.01 -0.01 -0.10 -0.04 6.85 6.70 1d0hA1 VAL 1084 H -0.05 0.50 0.39 -0.55 8.24 8.54 1d0hA1 VAL 1084 HA 0.03 0.24 0.82 -0.75 4.13 4.47 1d0hA1 VAL 1084 HB 0.07 0.02 0.10 -0.04 2.12 2.27 1d0hA1 VAL 1084 HG13 0.08 -0.01 -0.10 -0.04 0.97 0.90 1d0hA1 VAL 1084 HG23 0.04 -0.03 -0.19 -0.04 0.95 0.74 1d0hA1 SER 1085 H 0.02 0.50 0.35 -0.55 8.46 8.78 1d0hA1 SER 1085 HA 0.21 0.26 1.06 -0.75 4.49 5.27 1d0hA1 SER 1085 HB2 -0.41 -0.07 0.01 -0.04 3.95 3.44 1d0hA1 SER 1085 HB3 0.36 0.08 -0.03 -0.04 3.93 4.30 1d0hA1 ILE 1086 H 0.32 0.61 0.30 -0.55 8.25 8.94 1d0hA1 ILE 1086 HA 0.54 0.35 1.05 -0.75 4.18 5.36 1d0hA1 ILE 1086 HB 0.16 -0.05 0.02 -0.04 1.89 1.98 1d0hA1 ILE 1086 HG12 0.13 0.05 -0.12 -0.04 1.49 1.51 1d0hA1 ILE 1086 HG13 0.15 -0.08 -0.56 -0.04 1.21 0.68 1d0hA1 ILE 1086 HG23 0.19 -0.02 -0.10 -0.04 0.93 0.96 1d0hA1 ILE 1086 HD13 -0.04 -0.01 -0.16 -0.04 0.88 0.63 1d0hA1 ASP 1087 H 0.53 0.60 0.35 -0.55 8.40 9.33 1d0hA1 ASP 1087 HA 0.20 0.06 0.78 -0.75 4.63 4.91 1d0hA1 ASP 1087 HB2 0.02 0.06 -0.28 -0.04 2.71 2.46 1d0hA1 ASP 1087 HB3 -0.12 -0.00 -0.03 -0.04 2.70 2.51 1d0hA1 LYS 1088 H 0.14 0.20 0.19 -0.55 8.42 8.41 1d0hA1 LYS 1088 HA 0.17 0.23 0.38 -0.75 4.32 4.34 1d0hA1 LYS 1088 HB2 0.23 0.03 0.11 -0.04 1.87 2.21 1d0hA1 LYS 1088 HB3 0.18 0.03 0.15 -0.04 1.79 2.12 1d0hA1 LYS 1088 HG2 -0.05 -0.11 -0.27 -0.04 1.46 0.99 1d0hA1 LYS 1088 HG3 -0.42 0.06 -0.05 -0.04 1.46 1.01 1d0hA1 LYS 1088 HD2 0.18 0.04 0.05 -0.04 1.69 1.91 1d0hA1 LYS 1088 HD3 0.05 -0.03 0.10 -0.04 1.68 1.76 1d0hA1 LYS 1088 HE2 -0.24 -0.12 -0.06 -0.04 2.99 2.52 1d0hA1 LYS 1088 HE3 0.07 0.06 0.00 -0.04 2.99 3.08 1d0hA1 PHE 1089 H 0.34 -0.03 -0.22 -0.55 8.34 7.88 1d0hA1 PHE 1089 HA 0.22 0.20 0.48 -0.75 4.62 4.77 1d0hA1 PHE 1089 HB2 0.10 -0.00 0.01 -0.04 3.15 3.22 1d0hA1 PHE 1089 HB3 0.10 -0.11 0.04 -0.04 3.06 3.06 1d0hA1 PHE 1089 HD2 0.02 -0.05 -0.16 -0.04 7.28 7.05 1d0hA1 PHE 1089 HE2 0.10 -0.03 -0.16 -0.04 7.38 7.25 1d0hA1 PHE 1089 HZ 0.35 -0.02 -0.13 -0.04 7.32 7.48 1d0hA1 ARG 1090 H -0.63 0.58 0.47 -0.55 8.46 8.33 1d0hA1 ARG 1090 HA -0.26 0.11 0.79 -0.75 4.34 4.22 1d0hA1 ARG 1090 HB2 -0.01 0.22 -0.11 -0.04 1.90 1.96 1d0hA1 ARG 1090 HB3 -0.11 -0.10 0.12 -0.04 1.80 1.68 1d0hA1 ARG 1090 HG2 -1.04 -0.05 -0.07 -0.04 1.67 0.47 1d0hA1 ARG 1090 HG3 -0.31 0.13 0.28 -0.04 1.67 1.73 1d0hA1 ARG 1090 HD2 0.08 -0.01 -0.01 -0.04 3.22 3.24 1d0hA1 ARG 1090 HD3 0.20 -0.02 -0.05 -0.04 3.22 3.31 1d0hA1 ILE 1091 H -0.32 0.51 0.35 -0.55 8.25 8.24 1d0hA1 ILE 1091 HA -0.18 0.34 1.13 -0.75 4.18 4.71 1d0hA1 ILE 1091 HB -0.05 -0.10 0.07 -0.04 1.89 1.77 1d0hA1 ILE 1091 HG12 -0.13 0.09 0.02 -0.04 1.49 1.42 1d0hA1 ILE 1091 HG13 -0.13 -0.11 -0.33 -0.04 1.21 0.60 1d0hA1 ILE 1091 HG23 0.08 0.03 -0.04 -0.04 0.93 0.95 1d0hA1 ILE 1091 HD13 0.45 -0.01 -0.10 -0.04 0.88 1.18 1d0hA1 PHE 1092 H 0.13 0.74 0.43 -0.55 8.34 9.09 1d0hA1 PHE 1092 HA 0.01 0.31 1.03 -0.75 4.62 5.21 1d0hA1 PHE 1092 HB2 -0.04 -0.07 0.11 -0.04 3.15 3.11 1d0hA1 PHE 1092 HB3 -0.01 0.01 -0.11 -0.04 3.06 2.91 1d0hA1 PHE 1092 HD2 -0.04 0.04 -0.23 -0.04 7.28 7.02 1d0hA1 PHE 1092 HE2 0.01 0.05 -0.13 -0.04 7.38 7.26 1d0hA1 PHE 1092 HZ 0.07 0.02 -0.11 -0.04 7.32 7.25 1d0hA1 CYS 1093 H 0.14 0.77 0.27 -0.55 8.50 9.14 1d0hA1 CYS 1093 HA 0.14 0.17 0.70 -0.75 4.58 4.83 1d0hA1 CYS 1093 HB2 0.03 -0.01 0.12 -0.04 2.97 3.07 1d0hA1 CYS 1093 HB3 0.08 -0.00 0.26 -0.04 2.97 3.28 1d0hA1 LYS 1094 H 0.13 0.45 -0.22 -0.55 8.42 8.23 1d0hA1 LYS 1094 HA 0.06 0.05 0.25 -0.75 4.32 3.93 1d0hA1 LYS 1094 HB2 0.03 -0.04 0.11 -0.04 1.87 1.92 1d0hA1 LYS 1094 HB3 0.06 0.18 -0.32 -0.04 1.79 1.66 1d0hA1 LYS 1094 HG2 -0.01 -0.06 -0.39 -0.04 1.46 0.95 1d0hA1 LYS 1094 HG3 -0.04 0.03 -0.63 -0.04 1.46 0.77 1d0hA1 LYS 1094 HD2 0.01 0.03 -0.10 -0.04 1.69 1.59 1d0hA1 LYS 1094 HD3 0.01 0.04 -0.17 -0.04 1.68 1.52 1d0hA1 LYS 1094 HE2 -0.04 -0.01 -0.11 -0.04 2.99 2.79 1d0hA1 LYS 1094 HE3 -0.09 -0.10 -0.20 -0.04 2.99 2.56 1d0hA1 ALA 1095 H -0.01 0.15 0.00 -0.55 8.40 8.00 1d0hA1 ALA 1095 HA -0.10 0.12 0.58 -0.75 4.34 4.19 1d0hA1 ALA 1095 HB3 -0.05 0.03 -0.08 -0.04 1.41 1.27 1d0hA1 LEU 1096 H -0.19 0.14 -0.00 -0.55 8.37 7.77 1d0hA1 LEU 1096 HA -0.17 0.04 0.30 -0.75 4.35 3.76 1d0hA1 LEU 1096 HB2 -0.33 -0.01 -0.08 -0.04 1.64 1.18 1d0hA1 LEU 1096 HB3 -0.30 -0.03 -0.08 -0.04 1.64 1.19 1d0hA1 LEU 1096 HG -0.38 0.03 -0.08 -0.04 1.64 1.17 1d0hA1 LEU 1096 HD13 -0.78 0.01 -0.18 -0.04 0.93 -0.06 1d0hA1 LEU 1096 HD23 -0.47 0.00 -0.19 -0.04 0.89 0.19 1d0hA1 ASN 1097 H -0.14 0.05 0.14 -0.55 8.53 8.03 1d0hA1 ASN 1097 HA -0.10 0.27 0.74 -0.75 4.76 4.92 1d0hA1 ASN 1097 HB2 -0.06 0.04 0.16 -0.04 2.88 2.98 1d0hA1 ASN 1097 HB3 -0.06 0.11 0.09 -0.04 2.79 2.89 1d0hA1 ASN 1097 HD21 -0.06 0.02 0.01 -0.04 7.03 6.97 1d0hA1 ASN 1097 HD22 -0.05 0.11 0.03 -0.04 7.74 7.78 1d0hA1 PRO 1098 HA -0.27 0.11 0.34 -0.51 4.44 4.11 1d0hA1 PRO 1098 HB2 -0.03 0.01 0.03 -0.04 2.28 2.25 1d0hA1 PRO 1098 HB3 0.01 0.12 0.08 -0.04 2.02 2.18 1d0hA1 PRO 1098 HG2 0.02 0.08 0.08 -0.04 2.03 2.17 1d0hA1 PRO 1098 HG3 0.09 0.08 0.06 -0.04 2.03 2.23 1d0hA1 PRO 1098 HD2 -0.04 0.09 0.20 -0.04 3.68 3.89 1d0hA1 PRO 1098 HD3 -0.03 0.20 0.22 -0.04 3.65 3.99 1d0hA1 LYS 1099 H -0.07 0.12 -0.19 -0.55 8.42 7.72 1d0hA1 LYS 1099 HA -0.05 0.16 0.54 -0.75 4.32 4.21 1d0hA1 LYS 1099 HB2 -0.05 -0.02 0.07 -0.04 1.87 1.82 1d0hA1 LYS 1099 HB3 -0.04 0.03 -0.01 -0.04 1.79 1.73 1d0hA1 LYS 1099 HG2 -0.03 0.05 0.04 -0.04 1.46 1.48 1d0hA1 LYS 1099 HG3 -0.03 -0.03 0.02 -0.04 1.46 1.38 1d0hA1 LYS 1099 HD2 -0.03 -0.01 0.01 -0.04 1.69 1.62 1d0hA1 LYS 1099 HD3 -0.03 0.02 0.01 -0.04 1.68 1.64 1d0hA1 LYS 1099 HE2 -0.02 0.02 0.00 -0.04 2.99 2.96 1d0hA1 LYS 1099 HE3 -0.02 -0.01 0.01 -0.04 2.99 2.93 1d0hA1 GLU 1100 H -0.11 0.11 -0.19 -0.55 8.60 7.86 1d0hA1 GLU 1100 HA -0.10 0.04 0.41 -0.75 4.29 3.89 1d0hA1 GLU 1100 HB2 -0.19 0.09 0.09 -0.04 2.09 2.05 1d0hA1 GLU 1100 HB3 -0.20 0.06 -0.04 -0.04 1.99 1.77 1d0hA1 GLU 1100 HG2 -0.10 0.03 0.01 -0.04 2.34 2.24 1d0hA1 GLU 1100 HG3 -0.09 -0.08 0.02 -0.04 2.34 2.15 1d0hA1 ILE 1101 H -0.20 0.37 -0.31 -0.55 8.25 7.55 1d0hA1 ILE 1101 HA -0.15 0.05 0.35 -0.75 4.18 3.68 1d0hA1 ILE 1101 HB -0.37 0.12 0.03 -0.04 1.89 1.62 1d0hA1 ILE 1101 HG12 -0.40 -0.03 -0.17 -0.04 1.49 0.85 1d0hA1 ILE 1101 HG13 -0.37 0.17 -0.23 -0.04 1.21 0.74 1d0hA1 ILE 1101 HG23 -0.33 -0.00 -0.19 -0.04 0.93 0.37 1d0hA1 ILE 1101 HD13 -1.00 0.00 -0.29 -0.04 0.88 -0.45 1d0hA1 GLU 1102 H -0.09 0.51 -0.13 -0.55 8.60 8.35 1d0hA1 GLU 1102 HA 0.10 0.05 0.40 -0.75 4.29 4.09 1d0hA1 GLU 1102 HB2 -0.01 0.10 0.17 -0.04 2.09 2.31 1d0hA1 GLU 1102 HB3 -0.02 0.07 0.21 -0.04 1.99 2.21 1d0hA1 GLU 1102 HG2 0.01 -0.03 0.01 -0.04 2.34 2.29 1d0hA1 GLU 1102 HG3 0.01 -0.02 -0.19 -0.04 2.34 2.10 1d0hA1 LYS 1103 H -0.04 0.40 -0.23 -0.55 8.42 8.00 1d0hA1 LYS 1103 HA -0.04 0.03 0.37 -0.75 4.32 3.92 1d0hA1 LYS 1103 HB2 -0.05 0.03 0.09 -0.04 1.87 1.91 1d0hA1 LYS 1103 HB3 -0.06 0.06 0.09 -0.04 1.79 1.83 1d0hA1 LYS 1103 HG2 -0.05 -0.14 -0.07 -0.04 1.46 1.16 1d0hA1 LYS 1103 HG3 -0.06 0.05 -0.16 -0.04 1.46 1.24 1d0hA1 LYS 1103 HD2 -0.05 0.04 0.02 -0.04 1.69 1.66 1d0hA1 LYS 1103 HD3 -0.04 -0.03 0.00 -0.04 1.68 1.57 1d0hA1 LYS 1103 HE2 -0.06 0.04 -0.04 -0.04 2.99 2.89 1d0hA1 LYS 1103 HE3 -0.04 0.05 -0.02 -0.04 2.99 2.93 1d0hA1 LEU 1104 H -0.05 0.52 -0.24 -0.55 8.37 8.06 1d0hA1 LEU 1104 HA -0.08 -0.01 0.30 -0.75 4.35 3.81 1d0hA1 LEU 1104 HB2 -0.04 0.19 0.17 -0.04 1.64 1.92 1d0hA1 LEU 1104 HB3 0.18 0.06 -0.00 -0.04 1.64 1.83 1d0hA1 LEU 1104 HG 0.00 -0.04 -0.06 -0.04 1.64 1.50 1d0hA1 LEU 1104 HD13 0.40 -0.02 -0.13 -0.04 0.93 1.13 1d0hA1 LEU 1104 HD23 0.31 -0.00 -0.09 -0.04 0.89 1.07 1d0hA1 TYR 1105 H 0.13 0.70 -0.13 -0.55 8.29 8.44 1d0hA1 TYR 1105 HA -0.76 0.00 0.41 -0.75 4.56 3.46 1d0hA1 TYR 1105 HB2 0.08 -0.08 -0.00 -0.04 3.06 3.01 1d0hA1 TYR 1105 HB3 -0.04 0.15 0.12 -0.04 2.98 3.17 1d0hA1 TYR 1105 HD2 -0.25 -0.01 -0.08 -0.04 7.15 6.78 1d0hA1 TYR 1105 HE2 0.09 0.04 -0.03 -0.04 6.85 6.91 1d0hA1 THR 1106 H -0.08 0.60 -0.08 -0.55 8.28 8.17 1d0hA1 THR 1106 HA -0.33 0.09 0.47 -0.75 4.39 3.86 1d0hA1 THR 1106 HB -0.12 -0.02 0.08 -0.04 4.32 4.22 1d0hA1 THR 1106 HG23 -0.19 0.00 -0.00 -0.04 1.22 0.99 1d0hA1 SER 1107 H -0.15 0.44 -0.43 -0.55 8.46 7.77 1d0hA1 SER 1107 HA -0.13 -0.03 0.20 -0.75 4.49 3.78 1d0hA1 SER 1107 HB2 -0.19 -0.12 0.05 -0.04 3.95 3.65 1d0hA1 SER 1107 HB3 -0.18 0.17 0.10 -0.04 3.93 3.98 1d0hA1 TYR 1108 H -0.03 0.35 -0.48 -0.55 8.29 7.57 1d0hA1 TYR 1108 HA -0.03 0.06 0.63 -0.75 4.56 4.47 1d0hA1 TYR 1108 HB2 0.33 0.17 0.03 -0.04 3.06 3.54 1d0hA1 TYR 1108 HB3 -0.08 -0.09 0.00 -0.04 2.98 2.77 1d0hA1 TYR 1108 HD2 -0.14 0.04 0.03 -0.04 7.15 7.04 1d0hA1 TYR 1108 HE2 0.05 -0.06 -0.09 -0.04 6.85 6.70 1d0hA1 LEU 1109 H -0.01 0.38 -0.30 -0.55 8.37 7.90 1d0hA1 LEU 1109 HA -0.03 0.15 0.54 -0.75 4.35 4.26 1d0hA1 LEU 1109 HB2 -0.07 -0.02 0.17 -0.04 1.64 1.68 1d0hA1 LEU 1109 HB3 -0.00 0.10 0.04 -0.04 1.64 1.74 1d0hA1 LEU 1109 HG 0.03 0.02 -0.02 -0.04 1.64 1.64 1d0hA1 LEU 1109 HD13 -0.30 -0.03 -0.10 -0.04 0.93 0.47 1d0hA1 LEU 1109 HD23 0.21 0.03 -0.07 -0.04 0.89 1.02 1d0hA1 SER 1110 H -0.03 0.44 0.13 -0.55 8.46 8.45 1d0hA1 SER 1110 HA -0.02 -0.01 0.46 -0.75 4.49 4.17 1d0hA1 SER 1110 HB2 0.02 -0.17 0.11 -0.04 3.95 3.88 1d0hA1 SER 1110 HB3 0.00 0.07 0.09 -0.04 3.93 4.05 1d0hA1 ILE 1111 H -0.02 0.09 0.22 -0.55 8.25 8.00 1d0hA1 ILE 1111 HA -0.01 0.26 0.57 -0.75 4.18 4.25 1d0hA1 ILE 1111 HB -0.03 -0.04 0.11 -0.04 1.89 1.89 1d0hA1 ILE 1111 HG12 -0.02 0.08 0.19 -0.04 1.49 1.70 1d0hA1 ILE 1111 HG13 -0.03 -0.06 0.09 -0.04 1.21 1.17 1d0hA1 ILE 1111 HG23 -0.01 0.03 0.03 -0.04 0.93 0.93 1d0hA1 ILE 1111 HD13 -0.02 -0.01 0.02 -0.04 0.88 0.83 1d0hA1 THR 1112 H -0.00 0.02 -0.27 -0.55 8.28 7.48 1d0hA1 THR 1112 HA -0.13 0.04 0.32 -0.75 4.39 3.87 1d0hA1 THR 1112 HB 0.05 0.01 0.03 -0.04 4.32 4.37 1d0hA1 THR 1112 HG23 -0.49 -0.00 -0.12 -0.04 1.22 0.57 1d0hA1 PHE 1113 H 0.15 0.21 -0.11 -0.55 8.34 8.04 1d0hA1 PHE 1113 HA -0.01 0.11 1.06 -0.75 4.62 5.03 1d0hA1 PHE 1113 HB2 -0.03 0.02 0.09 -0.04 3.15 3.18 1d0hA1 PHE 1113 HB3 -0.03 0.12 0.08 -0.04 3.06 3.19 1d0hA1 PHE 1113 HD2 0.12 0.03 -0.16 -0.04 7.28 7.23 1d0hA1 PHE 1113 HE2 0.09 -0.02 -0.09 -0.04 7.38 7.32 1d0hA1 PHE 1113 HZ 0.04 -0.04 -0.05 -0.04 7.32 7.23 1d0hA1 LEU 1114 H 0.04 0.42 0.25 -0.55 8.37 8.52 1d0hA1 LEU 1114 HA -0.03 0.15 0.57 -0.75 4.35 4.29 1d0hA1 LEU 1114 HB2 -0.13 -0.03 -0.03 -0.04 1.64 1.41 1d0hA1 LEU 1114 HB3 -0.14 0.04 -0.02 -0.04 1.64 1.49 1d0hA1 LEU 1114 HG -0.08 -0.05 -0.28 -0.04 1.64 1.19 1d0hA1 LEU 1114 HD13 -0.17 -0.02 -0.28 -0.04 0.93 0.42 1d0hA1 LEU 1114 HD23 -0.06 0.01 -0.20 -0.04 0.89 0.61 1d0hA1 ARG 1115 H -0.03 0.23 0.12 -0.55 8.46 8.23 1d0hA1 ARG 1115 HA -0.11 0.14 0.92 -0.75 4.34 4.53 1d0hA1 ARG 1115 HB2 -0.00 -0.04 -0.03 -0.04 1.90 1.79 1d0hA1 ARG 1115 HB3 -0.21 -0.02 -0.22 -0.04 1.80 1.31 1d0hA1 ARG 1115 HG2 -0.16 0.02 -0.35 -0.04 1.67 1.14 1d0hA1 ARG 1115 HG3 -0.05 -0.01 -0.41 -0.04 1.67 1.17 1d0hA1 ARG 1115 HD2 0.02 -0.02 -0.06 -0.04 3.22 3.13 1d0hA1 ARG 1115 HD3 -0.34 -0.01 -0.04 -0.04 3.22 2.79 1d0hA1 ASP 1116 H -0.03 0.83 0.12 -0.55 8.40 8.77 1d0hA1 ASP 1116 HA -0.00 0.08 0.61 -0.75 4.63 4.57 1d0hA1 ASP 1116 HB2 0.23 0.16 0.29 -0.04 2.71 3.35 1d0hA1 ASP 1116 HB3 0.15 -0.01 0.03 -0.04 2.70 2.83 1d0hA1 PHE 1117 H 0.10 0.65 0.34 -0.55 8.34 8.88 1d0hA1 PHE 1117 HA -0.04 0.18 0.39 -0.75 4.62 4.40 1d0hA1 PHE 1117 HB2 -0.31 -0.07 -0.12 -0.04 3.15 2.61 1d0hA1 PHE 1117 HB3 -0.96 -0.03 0.09 -0.04 3.06 2.12 1d0hA1 PHE 1117 HD2 -1.83 -0.02 -0.06 -0.04 7.28 5.33 1d0hA1 PHE 1117 HE2 -1.40 -0.00 -0.02 -0.04 7.38 5.91 1d0hA1 PHE 1117 HZ -1.91 0.09 0.06 -0.04 7.32 5.52 1d0hA1 TRP 1118 H -0.07 0.02 -0.19 -0.55 7.97 7.19 1d0hA1 TRP 1118 HA -0.11 0.22 0.68 -0.75 4.62 4.66 1d0hA1 TRP 1118 HB2 0.07 -0.12 0.01 -0.04 3.23 3.15 1d0hA1 TRP 1118 HB3 0.01 0.19 0.18 -0.04 3.23 3.56 1d0hA1 TRP 1118 HD1 0.16 -0.03 0.01 -0.04 7.22 7.32 1d0hA1 TRP 1118 HE1 0.21 0.42 -0.01 -0.04 10.20 10.79 1d0hA1 TRP 1118 HE3 -0.02 0.08 -0.30 -0.04 7.59 7.30 1d0hA1 TRP 1118 HZ2 0.11 -0.01 -0.05 -0.04 7.44 7.45 1d0hA1 TRP 1118 HZ3 0.21 0.19 -0.06 -0.04 7.13 7.42 1d0hA1 TRP 1118 HH2 -0.57 -0.06 -0.08 -0.04 7.19 6.44 1d0hA1 GLY 1119 H -0.06 0.35 -0.33 -0.55 8.43 7.84 1d0hA1 GLY 1119 HA2 -1.25 0.11 0.22 -0.51 4.01 2.58 1d0hA1 GLY 1119 HA3 -0.46 0.09 0.73 -0.51 4.01 3.86 1d0hA1 ASN 1120 H 0.16 -0.09 -0.20 -0.55 8.53 7.85 1d0hA1 ASN 1120 HA -0.03 0.26 0.44 -0.75 4.76 4.68 1d0hA1 ASN 1120 HB2 0.20 -0.13 -0.03 -0.04 2.88 2.87 1d0hA1 ASN 1120 HB3 0.05 0.09 -0.06 -0.04 2.79 2.83 1d0hA1 ASN 1120 HD21 0.13 0.02 -0.10 -0.04 7.03 7.04 1d0hA1 ASN 1120 HD22 0.20 -0.05 -0.07 -0.04 7.74 7.78 1d0hA1 PRO 1121 HA -0.25 0.28 0.51 -0.51 4.44 4.47 1d0hA1 PRO 1121 HB2 -1.15 -0.07 0.05 -0.04 2.28 1.07 1d0hA1 PRO 1121 HB3 -1.15 0.02 0.10 -0.04 2.02 0.95 1d0hA1 PRO 1121 HG2 -0.77 -0.08 0.08 -0.04 2.03 1.22 1d0hA1 PRO 1121 HG3 -0.49 0.14 0.09 -0.04 2.03 1.72 1d0hA1 PRO 1121 HD2 -0.23 -0.00 0.14 -0.04 3.68 3.54 1d0hA1 PRO 1121 HD3 -0.22 0.35 0.18 -0.04 3.65 3.92 1d0hA1 LEU 1122 H -0.13 0.58 0.14 -0.55 8.37 8.41 1d0hA1 LEU 1122 HA -0.05 0.04 0.49 -0.75 4.35 4.08 1d0hA1 LEU 1122 HB2 -0.18 0.06 -0.24 -0.04 1.64 1.25 1d0hA1 LEU 1122 HB3 -0.22 -0.10 -0.26 -0.04 1.64 1.02 1d0hA1 LEU 1122 HG -0.40 0.12 -0.31 -0.04 1.64 1.01 1d0hA1 LEU 1122 HD13 -0.68 -0.02 -0.18 -0.04 0.93 0.01 1d0hA1 LEU 1122 HD23 -0.79 -0.01 -0.08 -0.04 0.89 -0.04 1d0hA1 ARG 1123 H 0.27 0.17 0.13 -0.55 8.46 8.48 1d0hA1 ARG 1123 HA 0.09 0.18 1.25 -0.75 4.34 5.11 1d0hA1 ARG 1123 HB2 0.20 -0.08 -0.06 -0.04 1.90 1.92 1d0hA1 ARG 1123 HB3 0.20 0.17 -0.03 -0.04 1.80 2.10 1d0hA1 ARG 1123 HG2 0.30 -0.06 -0.26 -0.04 1.67 1.61 1d0hA1 ARG 1123 HG3 0.08 0.13 -0.37 -0.04 1.67 1.48 1d0hA1 ARG 1123 HD2 0.12 -0.03 -0.07 -0.04 3.22 3.20 1d0hA1 ARG 1123 HD3 0.15 0.02 -0.08 -0.04 3.22 3.26 1d0hA1 TYR 1124 H 0.18 0.54 0.20 -0.55 8.29 8.65 1d0hA1 TYR 1124 HA 0.15 0.06 0.43 -0.75 4.56 4.44 1d0hA1 TYR 1124 HB2 0.10 0.03 0.07 -0.04 3.06 3.22 1d0hA1 TYR 1124 HB3 0.09 -0.06 0.08 -0.04 2.98 3.05 1d0hA1 TYR 1124 HD2 0.12 0.08 -0.33 -0.04 7.15 6.97 1d0hA1 TYR 1124 HE2 0.10 0.10 -0.27 -0.04 6.85 6.74 1d0hA1 ASP 1125 H 0.25 0.62 0.33 -0.55 8.40 9.06 1d0hA1 ASP 1125 HA 0.10 -0.03 0.28 -0.75 4.63 4.24 1d0hA1 ASP 1125 HB2 0.11 0.15 -0.11 -0.04 2.71 2.81 1d0hA1 ASP 1125 HB3 0.05 -0.04 0.16 -0.04 2.70 2.83 1d0hA1 THR 1126 H 0.13 0.15 -0.10 -0.55 8.28 7.91 1d0hA1 THR 1126 HA -0.04 0.10 0.85 -0.75 4.39 4.54 1d0hA1 THR 1126 HB -0.06 0.05 -0.07 -0.04 4.32 4.20 1d0hA1 THR 1126 HG23 -0.26 0.03 -0.07 -0.04 1.22 0.88 1d0hA1 GLU 1127 H -0.13 0.11 0.13 -0.55 8.60 8.16 1d0hA1 GLU 1127 HA -0.05 0.28 0.56 -0.75 4.29 4.34 1d0hA1 GLU 1127 HB2 -0.11 -0.04 0.16 -0.04 2.09 2.06 1d0hA1 GLU 1127 HB3 -0.19 0.01 0.01 -0.04 1.99 1.78 1d0hA1 GLU 1127 HG2 -0.06 0.02 -0.14 -0.04 2.34 2.13 1d0hA1 GLU 1127 HG3 -0.04 -0.03 -0.12 -0.04 2.34 2.10 1d0hA1 TYR 1128 H 0.09 0.56 0.42 -0.55 8.29 8.81 1d0hA1 TYR 1128 HA 0.10 0.18 0.57 -0.75 4.56 4.66 1d0hA1 TYR 1128 HB2 0.24 -0.01 -0.02 -0.04 3.06 3.23 1d0hA1 TYR 1128 HB3 0.17 -0.08 -0.24 -0.04 2.98 2.78 1d0hA1 TYR 1128 HD2 0.24 -0.03 -0.29 -0.04 7.15 7.03 1d0hA1 TYR 1128 HE2 0.11 0.11 0.00 -0.04 6.85 7.03 1d0hA1 TYR 1129 H 0.33 0.80 0.28 -0.55 8.29 9.14 1d0hA1 TYR 1129 HA 0.18 0.32 0.83 -0.75 4.56 5.14 1d0hA1 TYR 1129 HB2 0.09 -0.05 0.21 -0.04 3.06 3.27 1d0hA1 TYR 1129 HB3 0.08 0.10 0.04 -0.04 2.98 3.15 1d0hA1 TYR 1129 HD2 0.17 0.24 -0.16 -0.04 7.15 7.37 1d0hA1 TYR 1129 HE2 0.05 0.00 -0.16 -0.04 6.85 6.71 1d0hA1 LEU 1130 H 0.19 0.18 0.19 -0.55 8.37 8.39 1d0hA1 LEU 1130 HA -0.13 0.31 0.91 -0.75 4.35 4.69 1d0hA1 LEU 1130 HB2 -0.26 -0.06 0.08 -0.04 1.64 1.36 1d0hA1 LEU 1130 HB3 -0.14 -0.00 -0.28 -0.04 1.64 1.17 1d0hA1 LEU 1130 HG -1.10 -0.02 -0.13 -0.04 1.64 0.35 1d0hA1 LEU 1130 HD13 -1.73 -0.01 -0.14 -0.04 0.93 -1.00 1d0hA1 LEU 1130 HD23 -0.80 0.06 -0.19 -0.04 0.89 -0.08 1d0hA1 ILE 1131 H 0.21 0.48 0.33 -0.55 8.25 8.72 1d0hA1 ILE 1131 HA 0.18 0.30 1.03 -0.75 4.18 4.95 1d0hA1 ILE 1131 HB 0.25 -0.09 0.05 -0.04 1.89 2.05 1d0hA1 ILE 1131 HG12 0.02 0.11 -0.14 -0.04 1.49 1.43 1d0hA1 ILE 1131 HG13 0.02 -0.07 -0.43 -0.04 1.21 0.69 1d0hA1 ILE 1131 HG23 0.06 0.09 -0.16 -0.04 0.93 0.88 1d0hA1 ILE 1131 HD13 -0.16 -0.00 -0.07 -0.04 0.88 0.60 1d0hA1 PRO 1132 HA -0.83 0.21 0.62 -0.51 4.44 3.93 1d0hA1 PRO 1132 HB2 -0.41 -0.17 -0.06 -0.04 2.28 1.60 1d0hA1 PRO 1132 HB3 -0.97 0.07 0.01 -0.04 2.02 1.08 1d0hA1 PRO 1132 HG2 -0.10 0.17 0.09 -0.04 2.03 2.14 1d0hA1 PRO 1132 HG3 -0.06 -0.01 -0.01 -0.04 2.03 1.91 1d0hA1 PRO 1132 HD2 0.05 0.48 0.27 -0.04 3.68 4.44 1d0hA1 PRO 1132 HD3 0.26 0.09 0.07 -0.04 3.65 4.03 1d0hA1 VAL 1133 H -0.51 0.55 0.21 -0.55 8.24 7.94 1d0hA1 VAL 1133 HA -0.28 0.09 0.25 -0.75 4.13 3.44 1d0hA1 VAL 1133 HB -0.37 -0.03 0.07 -0.04 2.12 1.74 1d0hA1 VAL 1133 HG13 -0.16 0.00 -0.14 -0.04 0.97 0.63 1d0hA1 VAL 1133 HG23 -1.06 0.02 -0.23 -0.04 0.95 -0.37 1d0hA1 ALA 1134 H -0.28 0.14 -0.19 -0.55 8.40 7.53 1d0hA1 ALA 1134 HA -0.07 0.10 0.39 -0.75 4.34 4.00 1d0hA1 ALA 1134 HB3 -0.13 -0.02 -0.15 -0.04 1.41 1.08 1d0hA1 SER 1135 H -0.14 0.49 -0.75 -0.55 8.46 7.52 1d0hA1 SER 1135 HA -0.05 0.07 0.63 -0.75 4.49 4.39 1d0hA1 SER 1135 HB2 -0.10 -0.05 -0.33 -0.04 3.95 3.43 1d0hA1 SER 1135 HB3 -0.09 0.04 0.09 -0.04 3.93 3.93 1d0hA1 SER 1136 H -0.03 0.21 -0.09 -0.55 8.46 8.01 1d0hA1 SER 1136 HA -0.05 0.23 0.30 -0.75 4.49 4.22 1d0hA1 SER 1136 HB2 -0.17 0.02 0.07 -0.04 3.95 3.83 1d0hA1 SER 1136 HB3 0.15 0.15 0.10 -0.04 3.93 4.28 1d0hA1 SER 1137 H -0.09 0.00 -0.51 -0.55 8.46 7.32 1d0hA1 SER 1137 HA -0.14 0.07 0.47 -0.75 4.49 4.14 1d0hA1 SER 1137 HB2 -0.03 -0.02 0.03 -0.04 3.95 3.88 1d0hA1 SER 1137 HB3 -0.04 -0.03 0.03 -0.04 3.93 3.84 1d0hA1 LYS 1138 H -0.06 0.52 -0.17 -0.55 8.42 8.15 1d0hA1 LYS 1138 HA -0.01 0.19 1.14 -0.75 4.32 4.89 1d0hA1 LYS 1138 HB2 -0.00 0.06 0.12 -0.04 1.87 2.00 1d0hA1 LYS 1138 HB3 0.03 -0.01 0.03 -0.04 1.79 1.80 1d0hA1 LYS 1138 HG2 -0.03 -0.15 -0.13 -0.04 1.46 1.12 1d0hA1 LYS 1138 HG3 -0.01 -0.06 -0.02 -0.04 1.46 1.33 1d0hA1 LYS 1138 HD2 0.03 -0.03 -0.22 -0.04 1.69 1.43 1d0hA1 LYS 1138 HD3 0.01 0.06 -0.32 -0.04 1.68 1.39 1d0hA1 LYS 1138 HE2 -0.01 -0.04 -0.13 -0.04 2.99 2.77 1d0hA1 LYS 1138 HE3 -0.00 -0.02 -0.09 -0.04 2.99 2.83 1d0hA1 ASP 1139 H 0.01 0.56 0.32 -0.55 8.40 8.75 1d0hA1 ASP 1139 HA 0.06 0.26 0.81 -0.75 4.63 5.00 1d0hA1 ASP 1139 HB2 0.01 -0.04 -0.11 -0.04 2.71 2.52 1d0hA1 ASP 1139 HB3 0.04 0.02 -0.01 -0.04 2.70 2.71 1d0hA1 VAL 1140 H 0.10 0.23 0.27 -0.55 8.24 8.30 1d0hA1 VAL 1140 HA 0.03 0.24 0.84 -0.75 4.13 4.48 1d0hA1 VAL 1140 HB 0.19 -0.08 0.15 -0.04 2.12 2.34 1d0hA1 VAL 1140 HG13 0.12 -0.00 -0.07 -0.04 0.97 0.97 1d0hA1 VAL 1140 HG23 0.16 0.07 -0.07 -0.04 0.95 1.07 1d0hA1 GLN 1141 H -0.25 0.63 0.41 -0.55 8.47 8.70 1d0hA1 GLN 1141 HA -0.17 0.08 0.84 -0.75 4.36 4.35 1d0hA1 GLN 1141 HB2 -0.25 0.00 -0.16 -0.04 2.15 1.71 1d0hA1 GLN 1141 HB3 -0.94 0.07 -0.06 -0.04 2.02 1.04 1d0hA1 GLN 1141 HG2 -0.14 -0.00 -0.08 -0.04 2.40 2.14 1d0hA1 GLN 1141 HG3 -0.29 0.11 -0.21 -0.04 2.39 1.95 1d0hA1 GLN 1141 HE21 -0.07 -0.03 0.03 -0.04 6.97 6.86 1d0hA1 GLN 1141 HE22 -0.06 0.00 -0.01 -0.04 7.69 7.59 1d0hA1 LEU 1142 H -0.19 0.21 0.12 -0.55 8.37 7.96 1d0hA1 LEU 1142 HA -0.10 0.22 0.93 -0.75 4.35 4.65 1d0hA1 LEU 1142 HB2 -0.11 -0.01 -0.09 -0.04 1.64 1.38 1d0hA1 LEU 1142 HB3 -0.18 -0.02 0.00 -0.04 1.64 1.41 1d0hA1 LEU 1142 HG -0.09 -0.07 -0.42 -0.04 1.64 1.02 1d0hA1 LEU 1142 HD13 -0.02 0.10 -0.15 -0.04 0.93 0.82 1d0hA1 LEU 1142 HD23 -0.05 -0.01 -0.28 -0.04 0.89 0.50 1d0hA1 LYS 1143 H -0.12 0.68 0.22 -0.55 8.42 8.65 1d0hA1 LYS 1143 HA 0.03 0.06 0.55 -0.75 4.32 4.20 1d0hA1 LYS 1143 HB2 -0.53 -0.00 0.06 -0.04 1.87 1.35 1d0hA1 LYS 1143 HB3 -0.52 0.04 0.21 -0.04 1.79 1.47 1d0hA1 LYS 1143 HG2 -0.30 -0.06 -0.00 -0.04 1.46 1.05 1d0hA1 LYS 1143 HG3 -0.12 0.03 -0.26 -0.04 1.46 1.06 1d0hA1 LYS 1143 HD2 -0.08 0.02 0.04 -0.04 1.69 1.64 1d0hA1 LYS 1143 HD3 -0.14 0.00 -0.00 -0.04 1.68 1.49 1d0hA1 LYS 1143 HE2 -0.02 0.00 -0.05 -0.04 2.99 2.88 1d0hA1 LYS 1143 HE3 -0.01 -0.00 -0.01 -0.04 2.99 2.93 1d0hA1 ASN 1144 H -0.09 0.26 0.03 -0.55 8.53 8.19 1d0hA1 ASN 1144 HA -0.05 0.12 0.40 -0.75 4.76 4.47 1d0hA1 ASN 1144 HB2 -0.03 -0.10 -0.18 -0.04 2.88 2.53 1d0hA1 ASN 1144 HB3 -0.01 0.15 -0.03 -0.04 2.79 2.86 1d0hA1 ASN 1144 HD21 -0.01 -0.02 -0.01 -0.04 7.03 6.94 1d0hA1 ASN 1144 HD22 -0.02 -0.09 -0.14 -0.04 7.74 7.45 1d0hA1 ILE 1145 H -0.01 0.12 0.10 -0.55 8.25 7.91 1d0hA1 ILE 1145 HA -0.04 0.11 0.38 -0.75 4.18 3.88 1d0hA1 ILE 1145 HB -0.08 -0.02 0.07 -0.04 1.89 1.81 1d0hA1 ILE 1145 HG12 -0.01 0.09 0.16 -0.04 1.49 1.69 1d0hA1 ILE 1145 HG13 -0.27 -0.05 0.01 -0.04 1.21 0.86 1d0hA1 ILE 1145 HG23 0.01 -0.00 0.03 -0.04 0.93 0.92 1d0hA1 ILE 1145 HD13 0.07 -0.00 0.01 -0.04 0.88 0.92 1d0hA1 THR 1146 H 0.03 0.80 0.33 -0.55 8.28 8.89 1d0hA1 THR 1146 HA 0.10 -0.00 -0.09 -0.75 4.39 3.64 1d0hA1 THR 1146 HB -0.02 -0.16 0.13 -0.04 4.32 4.23 1d0hA1 THR 1146 HG23 -0.03 0.03 -0.19 -0.04 1.22 0.99 1d0hA1 ASP 1147 H 0.04 0.44 -0.64 -0.55 8.40 7.69 1d0hA1 ASP 1147 HA 0.16 0.17 0.77 -0.75 4.63 4.97 1d0hA1 ASP 1147 HB2 0.03 0.08 -0.11 -0.04 2.71 2.68 1d0hA1 ASP 1147 HB3 -0.05 -0.10 0.13 -0.04 2.70 2.64 1d0hA1 TYR 1148 H 0.12 0.05 0.18 -0.55 8.29 8.09 1d0hA1 TYR 1148 HA 0.10 0.32 0.83 -0.75 4.56 5.06 1d0hA1 TYR 1148 HB2 0.13 0.05 0.21 -0.04 3.06 3.41 1d0hA1 TYR 1148 HB3 0.09 0.03 0.11 -0.04 2.98 3.17 1d0hA1 TYR 1148 HD2 0.14 0.11 -0.11 -0.04 7.15 7.24 1d0hA1 TYR 1148 HE2 0.00 0.00 -0.10 -0.04 6.85 6.72 1d0hA1 MET 1149 H 0.33 0.25 0.27 -0.55 8.47 8.76 1d0hA1 MET 1149 HA 0.07 0.27 1.15 -0.75 4.52 5.26 1d0hA1 MET 1149 HB2 0.16 -0.05 0.11 -0.04 2.15 2.33 1d0hA1 MET 1149 HB3 0.10 0.03 0.11 -0.04 2.03 2.23 1d0hA1 MET 1149 HG2 0.02 0.02 -0.10 -0.04 2.63 2.53 1d0hA1 MET 1149 HG3 0.10 -0.03 -0.23 -0.04 2.56 2.35 1d0hA1 MET 1149 HE3 0.14 0.00 -0.15 -0.04 2.10 2.05 1d0hA1 TYR 1150 H -0.18 0.53 0.38 -0.55 8.29 8.47 1d0hA1 TYR 1150 HA 0.19 0.22 0.79 -0.75 4.56 5.00 1d0hA1 TYR 1150 HB2 0.16 -0.04 -0.00 -0.04 3.06 3.14 1d0hA1 TYR 1150 HB3 0.33 0.01 -0.24 -0.04 2.98 3.04 1d0hA1 TYR 1150 HD2 0.03 0.12 -0.29 -0.04 7.15 6.96 1d0hA1 TYR 1150 HE2 -0.05 -0.00 -0.23 -0.04 6.85 6.52 1d0hA1 LEU 1151 H 0.27 0.27 0.28 -0.55 8.37 8.64 1d0hA1 LEU 1151 HA 0.07 0.33 0.72 -0.75 4.35 4.72 1d0hA1 LEU 1151 HB2 0.12 -0.14 0.15 -0.04 1.64 1.73 1d0hA1 LEU 1151 HB3 0.08 0.07 0.05 -0.04 1.64 1.79 1d0hA1 LEU 1151 HG 0.16 0.09 0.08 -0.04 1.64 1.93 1d0hA1 LEU 1151 HD13 0.03 -0.01 -0.04 -0.04 0.93 0.86 1d0hA1 LEU 1151 HD23 0.21 0.01 -0.19 -0.04 0.89 0.87 1d0hA1 THR 1152 H 0.03 0.74 0.38 -0.55 8.28 8.89 1d0hA1 THR 1152 HA 0.10 0.15 0.80 -0.75 4.39 4.68 1d0hA1 THR 1152 HB 0.04 0.03 0.04 -0.04 4.32 4.39 1d0hA1 THR 1152 HG23 0.08 -0.00 -0.10 -0.04 1.22 1.15 1d0hA1 ASN 1153 H 0.04 0.11 0.14 -0.55 8.53 8.27 1d0hA1 ASN 1153 HA 0.01 0.17 0.57 -0.75 4.76 4.75 1d0hA1 ASN 1153 HB2 0.02 -0.06 0.12 -0.04 2.88 2.91 1d0hA1 ASN 1153 HB3 0.00 0.13 0.01 -0.04 2.79 2.88 1d0hA1 ASN 1153 HD21 0.02 -0.00 -0.02 -0.04 7.03 6.98 1d0hA1 ASN 1153 HD22 0.02 -0.01 0.04 -0.04 7.74 7.75 1d0hA1 ALA 1154 H -0.02 0.70 0.43 -0.55 8.40 8.97 1d0hA1 ALA 1154 HA -0.00 0.04 0.61 -0.75 4.34 4.23 1d0hA1 ALA 1154 HB3 -0.03 0.01 0.04 -0.04 1.41 1.40 1d0hA1 PRO 1155 HA 0.01 0.05 0.48 -0.51 4.44 4.47 1d0hA1 PRO 1155 HB2 0.04 0.04 0.08 -0.04 2.28 2.40 1d0hA1 PRO 1155 HB3 0.02 0.02 0.12 -0.04 2.02 2.14 1d0hA1 PRO 1155 HG2 0.04 0.01 0.03 -0.04 2.03 2.07 1d0hA1 PRO 1155 HG3 0.03 0.03 0.07 -0.04 2.03 2.12 1d0hA1 PRO 1155 HD2 0.01 0.13 0.20 -0.04 3.68 3.98 1d0hA1 PRO 1155 HD3 0.01 0.18 0.24 -0.04 3.65 4.04 1d0hA1 SER 1156 H 0.01 0.14 0.22 -0.55 8.46 8.29 1d0hA1 SER 1156 HA 0.06 0.14 1.03 -0.75 4.49 4.97 1d0hA1 SER 1156 HB2 0.02 0.07 -0.10 -0.04 3.95 3.90 1d0hA1 SER 1156 HB3 -0.01 -0.04 -0.01 -0.04 3.93 3.83 1d0hA1 TYR 1157 H -0.07 0.81 0.34 -0.55 8.29 8.81 1d0hA1 TYR 1157 HA -0.12 0.19 0.95 -0.75 4.56 4.83 1d0hA1 TYR 1157 HB2 -0.21 -0.00 0.04 -0.04 3.06 2.84 1d0hA1 TYR 1157 HB3 -0.99 0.01 0.10 -0.04 2.98 2.05 1d0hA1 TYR 1157 HD2 -0.25 0.00 -0.15 -0.04 7.15 6.71 1d0hA1 TYR 1157 HE2 -0.02 0.03 -0.09 -0.04 6.85 6.72 1d0hA1 THR 1158 H -0.68 0.26 0.16 -0.55 8.28 7.47 1d0hA1 THR 1158 HA -0.18 0.26 1.07 -0.75 4.39 4.79 1d0hA1 THR 1158 HB -0.15 -0.01 0.10 -0.04 4.32 4.21 1d0hA1 THR 1158 HG23 -0.12 0.00 -0.16 -0.04 1.22 0.90 1d0hA1 ASN 1159 H -0.09 0.70 0.18 -0.55 8.53 8.76 1d0hA1 ASN 1159 HA -0.15 0.09 0.66 -0.75 4.76 4.61 1d0hA1 ASN 1159 HB2 -0.03 0.07 -0.08 -0.04 2.88 2.80 1d0hA1 ASN 1159 HB3 0.11 0.02 0.15 -0.04 2.79 3.03 1d0hA1 ASN 1159 HD21 0.08 0.03 0.01 -0.04 7.03 7.10 1d0hA1 ASN 1159 HD22 0.23 0.02 0.03 -0.04 7.74 7.98 1d0hA1 GLY 1160 H -0.07 0.20 0.05 -0.55 8.43 8.07 1d0hA1 GLY 1160 HA2 -0.00 0.11 0.44 -0.51 4.01 4.05 1d0hA1 GLY 1160 HA3 -0.03 0.09 0.36 -0.51 4.01 3.91 1d0hA1 LYS 1161 H -0.01 0.06 -0.07 -0.55 8.42 7.85 1d0hA1 LYS 1161 HA 0.00 0.12 0.36 -0.75 4.32 4.05 1d0hA1 LYS 1161 HB2 0.00 0.06 0.07 -0.04 1.87 1.96 1d0hA1 LYS 1161 HB3 -0.00 -0.06 0.10 -0.04 1.79 1.79 1d0hA1 LYS 1161 HG2 0.02 -0.10 -0.15 -0.04 1.46 1.19 1d0hA1 LYS 1161 HG3 0.01 0.07 -0.25 -0.04 1.46 1.25 1d0hA1 LYS 1161 HD2 0.01 0.04 -0.03 -0.04 1.69 1.67 1d0hA1 LYS 1161 HD3 0.00 -0.03 0.00 -0.04 1.68 1.61 1d0hA1 LYS 1161 HE2 0.03 -0.04 -0.02 -0.04 2.99 2.92 1d0hA1 LYS 1161 HE3 0.03 0.03 -0.07 -0.04 2.99 2.93 1d0hA1 LEU 1162 H 0.03 0.04 -0.33 -0.55 8.37 7.56 1d0hA1 LEU 1162 HA 0.03 0.23 0.87 -0.75 4.35 4.72 1d0hA1 LEU 1162 HB2 0.07 -0.03 -0.03 -0.04 1.64 1.62 1d0hA1 LEU 1162 HB3 0.05 0.05 0.08 -0.04 1.64 1.78 1d0hA1 LEU 1162 HG 0.04 -0.13 -0.09 -0.04 1.64 1.43 1d0hA1 LEU 1162 HD13 0.07 -0.00 0.02 -0.04 0.93 0.98 1d0hA1 LEU 1162 HD23 0.03 0.03 -0.11 -0.04 0.89 0.80 1d0hA1 ASN 1163 H 0.04 0.20 -0.26 -0.55 8.53 7.96 1d0hA1 ASN 1163 HA 0.07 -0.05 0.37 -0.75 4.76 4.39 1d0hA1 ASN 1163 HB2 0.03 0.01 -0.12 -0.04 2.88 2.76 1d0hA1 ASN 1163 HB3 0.03 0.22 0.05 -0.04 2.79 3.05 1d0hA1 ASN 1163 HD21 0.03 -0.04 0.07 -0.04 7.03 7.04 1d0hA1 ASN 1163 HD22 0.02 0.07 0.08 -0.04 7.74 7.87 1d0hA1 ILE 1164 H 0.10 0.34 0.06 -0.55 8.25 8.20 1d0hA1 ILE 1164 HA 0.08 0.38 0.79 -0.75 4.18 4.68 1d0hA1 ILE 1164 HB 0.16 0.02 0.12 -0.04 1.89 2.15 1d0hA1 ILE 1164 HG12 0.17 -0.09 -0.03 -0.04 1.49 1.50 1d0hA1 ILE 1164 HG13 0.31 -0.09 -0.29 -0.04 1.21 1.10 1d0hA1 ILE 1164 HG23 0.06 0.06 -0.18 -0.04 0.93 0.83 1d0hA1 ILE 1164 HD13 0.16 -0.00 -0.08 -0.04 0.88 0.91 1d0hA1 TYR 1165 H 0.03 0.66 0.30 -0.55 8.29 8.73 1d0hA1 TYR 1165 HA -0.05 0.18 0.45 -0.75 4.56 4.38 1d0hA1 TYR 1165 HB2 -0.05 0.07 0.24 -0.04 3.06 3.29 1d0hA1 TYR 1165 HB3 -0.04 -0.03 0.05 -0.04 2.98 2.92 1d0hA1 TYR 1165 HD2 0.04 -0.00 -0.30 -0.04 7.15 6.85 1d0hA1 TYR 1165 HE2 0.05 0.02 -0.12 -0.04 6.85 6.76 1d0hA1 TYR 1166 H -0.04 0.58 0.34 -0.55 8.29 8.62 1d0hA1 TYR 1166 HA 0.20 -0.03 0.35 -0.75 4.56 4.33 1d0hA1 TYR 1166 HB2 0.51 0.25 0.05 -0.04 3.06 3.83 1d0hA1 TYR 1166 HB3 0.28 -0.13 0.32 -0.04 2.98 3.40 1d0hA1 TYR 1166 HD2 0.26 0.20 -0.42 -0.04 7.15 7.14 1d0hA1 TYR 1166 HE2 -0.00 -0.03 -0.09 -0.04 6.85 6.68 1d0hA1 ARG 1167 H 0.26 0.09 0.12 -0.55 8.46 8.38 1d0hA1 ARG 1167 HA 0.10 0.12 0.65 -0.75 4.34 4.46 1d0hA1 ARG 1167 HB2 -0.04 0.17 0.06 -0.04 1.90 2.04 1d0hA1 ARG 1167 HB3 -0.02 -0.08 0.09 -0.04 1.80 1.74 1d0hA1 ARG 1167 HG2 -0.52 0.04 -0.03 -0.04 1.67 1.12 1d0hA1 ARG 1167 HG3 0.04 -0.20 0.11 -0.04 1.67 1.57 1d0hA1 ARG 1167 HD2 -0.21 -0.07 -0.14 -0.04 3.22 2.75 1d0hA1 ARG 1167 HD3 -0.07 0.15 -0.51 -0.04 3.22 2.76 1d0hA1 ARG 1168 H 0.13 0.59 0.25 -0.55 8.46 8.88 1d0hA1 ARG 1168 HA 0.49 -0.04 0.48 -0.75 4.34 4.52 1d0hA1 ARG 1168 HB2 0.09 0.03 -0.03 -0.04 1.90 1.95 1d0hA1 ARG 1168 HB3 0.16 0.01 -0.03 -0.04 1.80 1.90 1d0hA1 ARG 1168 HG2 0.19 -0.09 -0.17 -0.04 1.67 1.56 1d0hA1 ARG 1168 HG3 0.12 0.03 -0.39 -0.04 1.67 1.38 1d0hA1 ARG 1168 HD2 0.09 0.07 -0.24 -0.04 3.22 3.09 1d0hA1 ARG 1168 HD3 0.08 0.02 -0.13 -0.04 3.22 3.15 1d0hA1 LEU 1169 H 0.12 0.05 0.08 -0.55 8.37 8.07 1d0hA1 LEU 1169 HA -0.31 0.22 0.75 -0.75 4.35 4.26 1d0hA1 LEU 1169 HB2 -1.21 -0.03 -0.04 -0.04 1.64 0.32 1d0hA1 LEU 1169 HB3 -1.12 -0.03 0.04 -0.04 1.64 0.49 1d0hA1 LEU 1169 HG -0.69 -0.00 -0.10 -0.04 1.64 0.80 1d0hA1 LEU 1169 HD13 -1.79 0.02 -0.08 -0.04 0.93 -0.96 1d0hA1 LEU 1169 HD23 -0.45 0.03 -0.12 -0.04 0.89 0.31 1d0hA1 TYR 1170 H -0.50 0.19 0.10 -0.55 8.29 7.53 1d0hA1 TYR 1170 HA -1.67 0.07 0.27 -0.75 4.56 2.48 1d0hA1 TYR 1170 HB2 -0.17 0.10 0.16 -0.04 3.06 3.11 1d0hA1 TYR 1170 HB3 -0.45 -0.02 0.16 -0.04 2.98 2.62 1d0hA1 TYR 1170 HD2 -0.04 0.04 -0.08 -0.04 7.15 7.03 1d0hA1 TYR 1170 HE2 0.27 0.15 -0.11 -0.04 6.85 7.13 1d0hA1 ASN 1171 H -0.19 0.11 -0.19 -0.55 8.53 7.72 1d0hA1 ASN 1171 HA 0.01 0.18 0.87 -0.75 4.76 5.06 1d0hA1 ASN 1171 HB2 -0.02 0.02 -0.02 -0.04 2.88 2.82 1d0hA1 ASN 1171 HB3 0.01 -0.06 0.08 -0.04 2.79 2.78 1d0hA1 ASN 1171 HD21 0.03 -0.04 -0.14 -0.04 7.03 6.85 1d0hA1 ASN 1171 HD22 -0.01 0.05 -0.23 -0.04 7.74 7.52 1d0hA1 GLY 1172 H 0.06 0.06 0.13 -0.55 8.43 8.14 1d0hA1 GLY 1172 HA2 0.02 -0.00 0.38 -0.51 4.01 3.91 1d0hA1 GLY 1172 HA3 0.09 0.11 0.67 -0.51 4.01 4.37 1d0hA1 LEU 1173 H 0.06 0.38 0.22 -0.55 8.37 8.48 1d0hA1 LEU 1173 HA -0.05 0.03 0.44 -0.75 4.35 4.01 1d0hA1 LEU 1173 HB2 -0.02 -0.03 0.00 -0.04 1.64 1.55 1d0hA1 LEU 1173 HB3 -0.52 0.06 -0.06 -0.04 1.64 1.08 1d0hA1 LEU 1173 HG -0.09 0.05 -0.21 -0.04 1.64 1.35 1d0hA1 LEU 1173 HD13 -0.13 -0.00 -0.27 -0.04 0.93 0.49 1d0hA1 LEU 1173 HD23 -0.16 -0.01 -0.08 -0.04 0.89 0.61 1d0hA1 LYS 1174 H -0.13 0.17 0.25 -0.55 8.42 8.15 1d0hA1 LYS 1174 HA -0.33 0.23 0.84 -0.75 4.32 4.31 1d0hA1 LYS 1174 HB2 -0.11 0.24 0.24 -0.04 1.87 2.20 1d0hA1 LYS 1174 HB3 -0.19 -0.06 0.01 -0.04 1.79 1.51 1d0hA1 LYS 1174 HG2 -1.13 0.01 -0.10 -0.04 1.46 0.21 1d0hA1 LYS 1174 HG3 -0.17 0.06 -0.08 -0.04 1.46 1.23 1d0hA1 LYS 1174 HD2 -0.13 -0.05 -0.02 -0.04 1.69 1.45 1d0hA1 LYS 1174 HD3 -0.04 -0.01 -0.02 -0.04 1.68 1.58 1d0hA1 LYS 1174 HE2 0.08 -0.02 0.03 -0.04 2.99 3.03 1d0hA1 LYS 1174 HE3 0.01 0.12 0.12 -0.04 2.99 3.20 1d0hA1 PHE 1175 H 0.17 0.72 0.37 -0.55 8.34 9.05 1d0hA1 PHE 1175 HA 0.06 0.25 1.17 -0.75 4.62 5.34 1d0hA1 PHE 1175 HB2 0.03 0.03 0.02 -0.04 3.15 3.19 1d0hA1 PHE 1175 HB3 0.09 -0.01 -0.01 -0.04 3.06 3.09 1d0hA1 PHE 1175 HD2 -0.05 0.08 -0.15 -0.04 7.28 7.11 1d0hA1 PHE 1175 HE2 -0.10 -0.01 -0.13 -0.04 7.38 7.10 1d0hA1 PHE 1175 HZ -0.14 -0.02 -0.13 -0.04 7.32 6.99 1d0hA1 ILE 1176 H 0.31 0.53 0.29 -0.55 8.25 8.83 1d0hA1 ILE 1176 HA 0.26 0.37 0.92 -0.75 4.18 4.97 1d0hA1 ILE 1176 HB 0.14 -0.06 -0.10 -0.04 1.89 1.84 1d0hA1 ILE 1176 HG12 0.05 0.08 -0.49 -0.04 1.49 1.10 1d0hA1 ILE 1176 HG13 0.06 -0.08 -0.55 -0.04 1.21 0.60 1d0hA1 ILE 1176 HG23 0.10 -0.02 -0.30 -0.04 0.93 0.67 1d0hA1 ILE 1176 HD13 -0.01 0.00 -0.25 -0.04 0.88 0.58 1d0hA1 ILE 1177 H 0.28 0.24 0.18 -0.55 8.25 8.41 1d0hA1 ILE 1177 HA 0.28 0.25 0.97 -0.75 4.18 4.93 1d0hA1 ILE 1177 HB 0.07 0.02 0.07 -0.04 1.89 2.01 1d0hA1 ILE 1177 HG12 0.15 0.00 -0.16 -0.04 1.49 1.45 1d0hA1 ILE 1177 HG13 0.29 -0.04 -0.14 -0.04 1.21 1.28 1d0hA1 ILE 1177 HG23 0.07 -0.00 -0.21 -0.04 0.93 0.74 1d0hA1 ILE 1177 HD13 -0.36 0.02 -0.15 -0.04 0.88 0.35 1d0hA1 LYS 1178 H 0.36 0.78 0.37 -0.55 8.42 9.38 1d0hA1 LYS 1178 HA 0.31 0.09 0.93 -0.75 4.32 4.89 1d0hA1 LYS 1178 HB2 0.39 0.02 0.03 -0.04 1.87 2.27 1d0hA1 LYS 1178 HB3 0.13 0.07 0.03 -0.04 1.79 1.99 1d0hA1 LYS 1178 HG2 0.05 0.00 -0.08 -0.04 1.46 1.39 1d0hA1 LYS 1178 HG3 0.10 -0.03 -0.41 -0.04 1.46 1.08 1d0hA1 LYS 1178 HD2 -1.05 -0.02 -0.15 -0.04 1.69 0.43 1d0hA1 LYS 1178 HD3 -0.16 0.04 -0.08 -0.04 1.68 1.44 1d0hA1 LYS 1178 HE2 -0.10 0.00 -0.07 -0.04 2.99 2.78 1d0hA1 LYS 1178 HE3 -0.30 -0.02 -0.13 -0.04 2.99 2.49 1d0hA1 ARG 1179 H -0.04 0.10 0.11 -0.55 8.46 8.08 1d0hA1 ARG 1179 HA 0.02 0.09 0.59 -0.75 4.34 4.29 1d0hA1 ARG 1179 HB2 -0.19 -0.07 0.13 -0.04 1.90 1.72 1d0hA1 ARG 1179 HB3 -0.08 0.01 -0.25 -0.04 1.80 1.44 1d0hA1 ARG 1179 HG2 -0.19 0.18 0.13 -0.04 1.67 1.75 1d0hA1 ARG 1179 HG3 -0.92 -0.02 0.09 -0.04 1.67 0.78 1d0hA1 ARG 1179 HD2 -0.15 -0.08 -0.04 -0.04 3.22 2.91 1d0hA1 ARG 1179 HD3 -0.17 0.06 0.10 -0.04 3.22 3.17 1d0hA1 TYR 1180 H 0.28 0.54 0.35 -0.55 8.29 8.91 1d0hA1 TYR 1180 HA 0.12 0.04 0.30 -0.75 4.56 4.26 1d0hA1 TYR 1180 HB2 0.19 -0.03 -0.38 -0.04 3.06 2.80 1d0hA1 TYR 1180 HB3 0.15 -0.03 -0.02 -0.04 2.98 3.05 1d0hA1 TYR 1180 HD2 0.04 0.02 -0.14 -0.04 7.15 7.03 1d0hA1 TYR 1180 HE2 -0.01 -0.02 -0.04 -0.04 6.85 6.73 1d0hA1 THR 1181 H 0.15 0.23 0.08 -0.55 8.28 8.19 1d0hA1 THR 1181 HA -0.08 0.25 0.61 -0.75 4.39 4.41 1d0hA1 THR 1181 HB -0.01 -0.05 0.07 -0.04 4.32 4.29 1d0hA1 THR 1181 HG23 -0.13 0.02 0.00 -0.04 1.22 1.07 1d0hA1 PRO 1182 HA -0.05 0.11 0.46 -0.51 4.44 4.44 1d0hA1 PRO 1182 HB2 -0.02 0.05 -0.08 -0.04 2.28 2.18 1d0hA1 PRO 1182 HB3 -0.04 0.04 0.04 -0.04 2.02 2.02 1d0hA1 PRO 1182 HG2 -0.02 -0.02 0.12 -0.04 2.03 2.07 1d0hA1 PRO 1182 HG3 -0.03 0.08 0.06 -0.04 2.03 2.09 1d0hA1 PRO 1182 HD2 -0.03 0.11 0.20 -0.04 3.68 3.91 1d0hA1 PRO 1182 HD3 -0.05 0.19 0.12 -0.04 3.65 3.88 1d0hA1 ASN 1183 H -0.01 0.13 0.03 -0.55 8.53 8.14 1d0hA1 ASN 1183 HA 0.01 0.02 0.24 -0.75 4.76 4.28 1d0hA1 ASN 1183 HB2 0.02 0.42 -0.62 -0.04 2.88 2.66 1d0hA1 ASN 1183 HB3 0.02 -0.26 0.27 -0.04 2.79 2.78 1d0hA1 ASN 1183 HD21 0.12 -0.02 -0.05 -0.04 7.03 7.05 1d0hA1 ASN 1183 HD22 0.08 0.13 -0.13 -0.04 7.74 7.78 1d0hA1 ASN 1184 H 0.01 0.22 0.28 -0.55 8.53 8.49 1d0hA1 ASN 1184 HA 0.00 0.15 0.84 -0.75 4.76 5.00 1d0hA1 ASN 1184 HB2 0.01 0.04 0.16 -0.04 2.88 3.06 1d0hA1 ASN 1184 HB3 0.01 0.01 -0.09 -0.04 2.79 2.68 1d0hA1 ASN 1184 HD21 0.01 -0.01 -0.01 -0.04 7.03 6.98 1d0hA1 ASN 1184 HD22 0.01 0.01 0.02 -0.04 7.74 7.73 1d0hA1 GLU 1185 H 0.00 0.36 0.15 -0.55 8.60 8.56 1d0hA1 GLU 1185 HA -0.01 0.03 0.33 -0.75 4.29 3.89 1d0hA1 GLU 1185 HB2 -0.00 0.08 0.22 -0.04 2.09 2.35 1d0hA1 GLU 1185 HB3 0.01 -0.05 -0.29 -0.04 1.99 1.61 1d0hA1 GLU 1185 HG2 -0.01 0.06 -0.28 -0.04 2.34 2.07 1d0hA1 GLU 1185 HG3 -0.00 0.00 -0.05 -0.04 2.34 2.24 1d0hA1 ILE 1186 H -0.01 0.14 0.07 -0.55 8.25 7.90 1d0hA1 ILE 1186 HA -0.03 0.19 0.88 -0.75 4.18 4.47 1d0hA1 ILE 1186 HB -0.02 -0.03 0.15 -0.04 1.89 1.95 1d0hA1 ILE 1186 HG12 -0.02 -0.06 -0.03 -0.04 1.49 1.33 1d0hA1 ILE 1186 HG13 -0.03 0.01 -0.02 -0.04 1.21 1.13 1d0hA1 ILE 1186 HG23 -0.03 0.00 -0.17 -0.04 0.93 0.70 1d0hA1 ILE 1186 HD13 -0.05 0.02 -0.11 -0.04 0.88 0.69 1d0hA1 ASP 1187 H 0.02 0.29 0.24 -0.55 8.40 8.40 1d0hA1 ASP 1187 HA -0.04 0.13 0.92 -0.75 4.63 4.88 1d0hA1 ASP 1187 HB2 0.06 0.01 0.03 -0.04 2.71 2.77 1d0hA1 ASP 1187 HB3 0.16 0.16 0.12 -0.04 2.70 3.10 1d0hA1 SER 1188 H -0.08 0.14 0.13 -0.55 8.46 8.10 1d0hA1 SER 1188 HA 0.22 0.10 0.60 -0.75 4.49 4.66 1d0hA1 SER 1188 HB2 0.17 0.05 0.07 -0.04 3.95 4.20 1d0hA1 SER 1188 HB3 0.05 0.01 0.07 -0.04 3.93 4.01 1d0hA1 PHE 1189 H 0.05 -0.03 -0.10 -0.55 8.34 7.71 1d0hA1 PHE 1189 HA 0.08 0.28 0.80 -0.75 4.62 5.02 1d0hA1 PHE 1189 HB2 0.31 -0.08 -0.06 -0.04 3.15 3.28 1d0hA1 PHE 1189 HB3 0.16 0.16 0.03 -0.04 3.06 3.37 1d0hA1 PHE 1189 HD2 -0.53 0.02 -0.20 -0.04 7.28 6.52 1d0hA1 PHE 1189 HE2 -0.20 -0.01 -0.05 -0.04 7.38 7.08 1d0hA1 PHE 1189 HZ -0.11 -0.02 -0.03 -0.04 7.32 7.12 1d0hA1 VAL 1190 H 0.07 0.64 0.18 -0.55 8.24 8.58 1d0hA1 VAL 1190 HA 0.03 0.09 0.61 -0.75 4.13 4.11 1d0hA1 VAL 1190 HB -0.20 -0.02 -0.06 -0.04 2.12 1.80 1d0hA1 VAL 1190 HG13 -0.18 0.01 -0.18 -0.04 0.97 0.58 1d0hA1 VAL 1190 HG23 -0.78 0.01 -0.32 -0.04 0.95 -0.18 1d0hA1 LYS 1191 H 0.05 0.13 0.18 -0.55 8.42 8.23 1d0hA1 LYS 1191 HA -0.15 0.16 1.14 -0.75 4.32 4.72 1d0hA1 LYS 1191 HB2 -0.13 -0.08 0.04 -0.04 1.87 1.65 1d0hA1 LYS 1191 HB3 -0.33 0.24 0.18 -0.04 1.79 1.83 1d0hA1 LYS 1191 HG2 -0.65 -0.01 -0.20 -0.04 1.46 0.56 1d0hA1 LYS 1191 HG3 -0.06 -0.02 -0.01 -0.04 1.46 1.34 1d0hA1 LYS 1191 HD2 -0.81 0.06 -0.04 -0.04 1.69 0.86 1d0hA1 LYS 1191 HD3 -0.53 -0.07 -0.05 -0.04 1.68 0.99 1d0hA1 LYS 1191 HE2 -0.16 0.07 0.00 -0.04 2.99 2.85 1d0hA1 LYS 1191 HE3 -0.15 -0.04 -0.01 -0.04 2.99 2.75 1d0hA1 SER 1192 H -0.14 0.43 0.14 -0.55 8.46 8.35 1d0hA1 SER 1192 HA -0.09 0.08 0.44 -0.75 4.49 4.17 1d0hA1 SER 1192 HB2 -0.07 0.16 0.09 -0.04 3.95 4.09 1d0hA1 SER 1192 HB3 -0.09 0.02 0.17 -0.04 3.93 3.99 1d0hA1 GLY 1193 H -0.12 0.61 0.41 -0.55 8.43 8.79 1d0hA1 GLY 1193 HA2 -0.20 -0.08 0.31 -0.51 4.01 3.54 1d0hA1 GLY 1193 HA3 -0.14 0.12 0.65 -0.51 4.01 4.13 1d0hA1 ASP 1194 H -0.13 0.56 0.04 -0.55 8.40 8.32 1d0hA1 ASP 1194 HA -0.10 0.04 0.55 -0.75 4.63 4.37 1d0hA1 ASP 1194 HB2 0.00 0.05 0.13 -0.04 2.71 2.85 1d0hA1 ASP 1194 HB3 0.15 0.02 -0.14 -0.04 2.70 2.69 1d0hA1 PHE 1195 H 0.11 0.12 0.29 -0.55 8.34 8.31 1d0hA1 PHE 1195 HA 0.03 0.35 0.92 -0.75 4.62 5.16 1d0hA1 PHE 1195 HB2 0.08 -0.09 0.23 -0.04 3.15 3.32 1d0hA1 PHE 1195 HB3 -0.14 0.01 0.12 -0.04 3.06 3.01 1d0hA1 PHE 1195 HD2 -0.07 0.04 -0.05 -0.04 7.28 7.16 1d0hA1 PHE 1195 HE2 -0.21 -0.03 -0.07 -0.04 7.38 7.03 1d0hA1 PHE 1195 HZ -0.13 -0.03 -0.04 -0.04 7.32 7.08 1d0hA1 ILE 1196 H 0.20 0.73 0.42 -0.55 8.25 9.05 1d0hA1 ILE 1196 HA 0.33 0.12 1.12 -0.75 4.18 4.99 1d0hA1 ILE 1196 HB 0.27 0.05 0.07 -0.04 1.89 2.24 1d0hA1 ILE 1196 HG12 0.09 -0.03 -0.28 -0.04 1.49 1.22 1d0hA1 ILE 1196 HG13 0.15 -0.04 -0.36 -0.04 1.21 0.92 1d0hA1 ILE 1196 HG23 0.19 0.01 -0.35 -0.04 0.93 0.74 1d0hA1 ILE 1196 HD13 0.11 -0.02 -0.38 -0.04 0.88 0.55 1d0hA1 LYS 1197 H 0.31 0.63 0.32 -0.55 8.42 9.11 1d0hA1 LYS 1197 HA 0.17 0.28 0.99 -0.75 4.32 5.01 1d0hA1 LYS 1197 HB2 0.39 -0.04 -0.01 -0.04 1.87 2.17 1d0hA1 LYS 1197 HB3 0.01 0.02 0.00 -0.04 1.79 1.77 1d0hA1 LYS 1197 HG2 0.31 0.09 -0.08 -0.04 1.46 1.73 1d0hA1 LYS 1197 HG3 0.46 -0.04 -0.32 -0.04 1.46 1.51 1d0hA1 LYS 1197 HD2 0.26 -0.03 -0.08 -0.04 1.69 1.81 1d0hA1 LYS 1197 HD3 0.16 -0.03 -0.05 -0.04 1.68 1.72 1d0hA1 LYS 1197 HE2 0.03 -0.02 -0.02 -0.04 2.99 2.94 1d0hA1 LYS 1197 HE3 0.12 -0.05 -0.04 -0.04 2.99 2.98 1d0hA1 LEU 1198 H 0.04 0.30 0.24 -0.55 8.37 8.40 1d0hA1 LEU 1198 HA 0.26 0.27 0.96 -0.75 4.35 5.09 1d0hA1 LEU 1198 HB2 0.11 -0.02 -0.03 -0.04 1.64 1.66 1d0hA1 LEU 1198 HB3 0.09 0.01 0.12 -0.04 1.64 1.82 1d0hA1 LEU 1198 HG 0.38 0.03 -0.19 -0.04 1.64 1.82 1d0hA1 LEU 1198 HD13 0.21 0.03 -0.13 -0.04 0.93 1.00 1d0hA1 LEU 1198 HD23 -0.14 -0.01 -0.13 -0.04 0.89 0.57 1d0hA1 TYR 1199 H 0.40 0.52 0.35 -0.55 8.29 9.01 1d0hA1 TYR 1199 HA 0.12 0.22 0.95 -0.75 4.56 5.09 1d0hA1 TYR 1199 HB2 0.09 -0.02 -0.06 -0.04 3.06 3.03 1d0hA1 TYR 1199 HB3 0.04 -0.02 -0.15 -0.04 2.98 2.80 1d0hA1 TYR 1199 HD2 0.07 0.02 -0.41 -0.04 7.15 6.79 1d0hA1 TYR 1199 HE2 0.07 0.01 -0.16 -0.04 6.85 6.73 1d0hA1 VAL 1200 H 0.14 0.69 0.31 -0.55 8.24 8.83 1d0hA1 VAL 1200 HA -0.29 0.26 1.05 -0.75 4.13 4.40 1d0hA1 VAL 1200 HB 0.06 -0.02 0.15 -0.04 2.12 2.27 1d0hA1 VAL 1200 HG13 0.00 0.00 -0.10 -0.04 0.97 0.83 1d0hA1 VAL 1200 HG23 -0.41 0.00 -0.11 -0.04 0.95 0.39 1d0hA1 SER 1201 H -0.08 0.79 0.25 -0.55 8.46 8.88 1d0hA1 SER 1201 HA -0.01 0.39 1.13 -0.75 4.49 5.24 1d0hA1 SER 1201 HB2 0.01 -0.05 -0.19 -0.04 3.95 3.68 1d0hA1 SER 1201 HB3 -0.02 -0.04 -0.04 -0.04 3.93 3.78 1d0hA1 TYR 1202 H -0.11 0.65 0.17 -0.55 8.29 8.44 1d0hA1 TYR 1202 HA 0.00 0.08 0.45 -0.75 4.56 4.34 1d0hA1 TYR 1202 HB2 0.01 -0.04 0.13 -0.04 3.06 3.11 1d0hA1 TYR 1202 HB3 -0.02 0.12 -0.01 -0.04 2.98 3.03 1d0hA1 TYR 1202 HD2 -0.01 -0.01 -0.28 -0.04 7.15 6.81 1d0hA1 TYR 1202 HE2 -0.12 -0.00 -0.13 -0.04 6.85 6.56 1d0hA1 ASN 1203 H 0.16 0.17 0.12 -0.55 8.53 8.43 1d0hA1 ASN 1203 HA 0.08 0.04 0.36 -0.75 4.76 4.49 1d0hA1 ASN 1203 HB2 0.26 -0.03 -0.10 -0.04 2.88 2.98 1d0hA1 ASN 1203 HB3 0.05 0.13 -0.03 -0.04 2.79 2.89 1d0hA1 ASN 1203 HD21 0.06 0.00 0.01 -0.04 7.03 7.06 1d0hA1 ASN 1203 HD22 0.10 -0.00 0.00 -0.04 7.74 7.80 1d0hA1 ASN 1204 H 0.01 0.04 -0.16 -0.55 8.53 7.88 1d0hA1 ASN 1204 HA -0.02 -0.01 0.20 -0.75 4.76 4.17 1d0hA1 ASN 1204 HB2 -0.01 0.04 -0.47 -0.04 2.88 2.40 1d0hA1 ASN 1204 HB3 -0.03 0.02 0.17 -0.04 2.79 2.91 1d0hA1 ASN 1204 HD21 0.00 0.01 -0.03 -0.04 7.03 6.98 1d0hA1 ASN 1204 HD22 0.01 -0.04 -0.12 -0.04 7.74 7.55 1d0hA1 ASN 1205 H -0.11 0.42 -0.51 -0.55 8.53 7.79 1d0hA1 ASN 1205 HA -0.17 0.13 0.89 -0.75 4.76 4.86 1d0hA1 ASN 1205 HB2 -0.14 0.13 -0.05 -0.04 2.88 2.77 1d0hA1 ASN 1205 HB3 -0.36 -0.04 -0.03 -0.04 2.79 2.32 1d0hA1 ASN 1205 HD21 -0.14 -0.03 0.02 -0.04 7.03 6.84 1d0hA1 ASN 1205 HD22 -0.10 -0.02 -0.01 -0.04 7.74 7.57 1d0hA1 GLU 1206 H -0.27 0.22 0.17 -0.55 8.60 8.18 1d0hA1 GLU 1206 HA -0.07 0.32 0.93 -0.75 4.29 4.71 1d0hA1 GLU 1206 HB2 -0.16 -0.02 0.00 -0.04 2.09 1.88 1d0hA1 GLU 1206 HB3 -0.13 -0.01 -0.07 -0.04 1.99 1.74 1d0hA1 GLU 1206 HG2 -0.13 0.03 -0.24 -0.04 2.34 1.96 1d0hA1 GLU 1206 HG3 -0.16 0.00 -0.11 -0.04 2.34 2.03 1d0hA1 HIS 1207 H 0.17 0.56 0.24 -0.55 8.41 8.84 1d0hA1 HIS 1207 HA 0.09 0.16 0.91 -0.75 4.63 5.04 1d0hA1 HIS 1207 HB2 0.01 -0.05 0.11 -0.04 3.26 3.29 1d0hA1 HIS 1207 HB3 0.03 -0.03 0.01 -0.04 3.20 3.16 1d0hA1 HIS 1207 HD2 -0.02 0.02 0.00 -0.04 6.97 6.93 1d0hA1 HIS 1207 HE1 -0.88 0.06 -0.16 -0.04 7.75 6.73 1d0hA1 ILE 1208 H 0.09 0.16 0.15 -0.55 8.25 8.10 1d0hA1 ILE 1208 HA -0.48 0.17 0.59 -0.75 4.18 3.71 1d0hA1 ILE 1208 HB -0.21 -0.02 0.09 -0.04 1.89 1.71 1d0hA1 ILE 1208 HG12 -0.26 0.19 0.18 -0.04 1.49 1.55 1d0hA1 ILE 1208 HG13 -1.20 -0.01 0.00 -0.04 1.21 -0.05 1d0hA1 ILE 1208 HG23 -0.00 -0.00 -0.11 -0.04 0.93 0.77 1d0hA1 ILE 1208 HD13 -0.08 -0.01 -0.01 -0.04 0.88 0.73 1d0hA1 VAL 1209 H -0.12 0.68 0.45 -0.55 8.24 8.70 1d0hA1 VAL 1209 HA 0.07 0.24 1.00 -0.75 4.13 4.68 1d0hA1 VAL 1209 HB 0.06 -0.02 0.13 -0.04 2.12 2.26 1d0hA1 VAL 1209 HG13 0.09 -0.01 -0.16 -0.04 0.97 0.85 1d0hA1 VAL 1209 HG23 0.20 -0.02 -0.20 -0.04 0.95 0.89 1d0hA1 GLY 1210 H 0.08 0.59 0.38 -0.55 8.43 8.94 1d0hA1 GLY 1210 HA2 0.10 0.11 0.61 -0.51 4.01 4.31 1d0hA1 GLY 1210 HA3 0.07 0.02 0.23 -0.51 4.01 3.82 1d0hA1 TYR 1211 H 0.18 0.56 0.24 -0.55 8.29 8.72 1d0hA1 TYR 1211 HA -0.05 0.29 0.94 -0.75 4.56 4.98 1d0hA1 TYR 1211 HB2 0.05 0.04 -0.17 -0.04 3.06 2.93 1d0hA1 TYR 1211 HB3 0.13 -0.08 0.07 -0.04 2.98 3.05 1d0hA1 TYR 1211 HD2 0.11 0.11 -0.07 -0.04 7.15 7.26 1d0hA1 TYR 1211 HE2 0.03 0.03 -0.16 -0.04 6.85 6.71 1d0hA1 PRO 1212 HA -0.53 0.15 0.72 -0.51 4.44 4.26 1d0hA1 PRO 1212 HB2 -0.65 0.04 -0.08 -0.04 2.28 1.55 1d0hA1 PRO 1212 HB3 -1.20 0.05 0.05 -0.04 2.02 0.88 1d0hA1 PRO 1212 HG2 -0.78 0.01 0.07 -0.04 2.03 1.28 1d0hA1 PRO 1212 HG3 -1.52 0.02 0.02 -0.04 2.03 0.51 1d0hA1 PRO 1212 HD2 -0.46 0.14 0.20 -0.04 3.68 3.51 1d0hA1 PRO 1212 HD3 -0.24 0.24 0.18 -0.04 3.65 3.79 1d0hA1 LYS 1213 H -0.53 0.72 0.21 -0.55 8.42 8.26 1d0hA1 LYS 1213 HA -0.08 -0.03 0.43 -0.75 4.32 3.88 1d0hA1 LYS 1213 HB2 -0.31 -0.02 0.16 -0.04 1.87 1.66 1d0hA1 LYS 1213 HB3 -0.13 0.03 0.12 -0.04 1.79 1.77 1d0hA1 LYS 1213 HG2 0.04 0.04 -0.17 -0.04 1.46 1.34 1d0hA1 LYS 1213 HG3 0.23 -0.06 0.05 -0.04 1.46 1.64 1d0hA1 LYS 1213 HD2 0.08 -0.03 0.04 -0.04 1.69 1.73 1d0hA1 LYS 1213 HD3 0.01 0.04 -0.00 -0.04 1.68 1.68 1d0hA1 LYS 1213 HE2 0.06 0.01 -0.04 -0.04 2.99 2.98 1d0hA1 LYS 1213 HE3 0.10 -0.04 -0.00 -0.04 2.99 3.01 1d0hA1 ASP 1214 H 0.01 0.09 0.19 -0.55 8.40 8.14 1d0hA1 ASP 1214 HA 0.06 0.00 0.32 -0.75 4.63 4.25 1d0hA1 ASP 1214 HB2 -0.03 0.20 -0.04 -0.04 2.71 2.80 1d0hA1 ASP 1214 HB3 -0.00 -0.03 0.20 -0.04 2.70 2.83 1d0hA1 GLY 1215 H -0.49 0.47 -0.33 -0.55 8.43 7.53 1d0hA1 GLY 1215 HA2 -0.10 0.01 0.38 -0.51 4.01 3.79 1d0hA1 GLY 1215 HA3 -0.28 0.07 0.25 -0.51 4.01 3.54 1d0hA1 ASN 1216 H -0.01 0.06 0.15 -0.55 8.53 8.17 1d0hA1 ASN 1216 HA -0.05 0.01 0.41 -0.75 4.76 4.38 1d0hA1 ASN 1216 HB2 -0.04 -0.01 0.18 -0.04 2.88 2.97 1d0hA1 ASN 1216 HB3 -0.07 0.01 0.10 -0.04 2.79 2.79 1d0hA1 ASN 1216 HD21 -0.19 -0.02 0.02 -0.04 7.03 6.79 1d0hA1 ASN 1216 HD22 -0.12 -0.01 0.02 -0.04 7.74 7.59 1d0hA1 ALA 1217 H -0.13 0.24 0.25 -0.55 8.40 8.21 1d0hA1 ALA 1217 HA -0.24 0.11 0.78 -0.75 4.34 4.23 1d0hA1 ALA 1217 HB3 -0.06 0.01 -0.19 -0.04 1.41 1.13 1d0hA1 PHE 1218 H -0.15 0.52 0.24 -0.55 8.34 8.40 1d0hA1 PHE 1218 HA -0.16 0.13 0.56 -0.75 4.62 4.40 1d0hA1 PHE 1218 HB2 -0.47 -0.10 0.15 -0.04 3.15 2.69 1d0hA1 PHE 1218 HB3 -0.35 -0.05 0.14 -0.04 3.06 2.77 1d0hA1 PHE 1218 HD2 -0.31 0.02 0.04 -0.04 7.28 7.00 1d0hA1 PHE 1218 HE2 -0.09 0.03 -0.09 -0.04 7.38 7.19 1d0hA1 PHE 1218 HZ -0.08 0.02 -0.22 -0.04 7.32 7.00 1d0hA1 ASN 1219 H 0.08 0.17 0.20 -0.55 8.53 8.44 1d0hA1 ASN 1219 HA 0.01 0.14 0.39 -0.75 4.76 4.55 1d0hA1 ASN 1219 HB2 0.02 0.06 0.16 -0.04 2.88 3.07 1d0hA1 ASN 1219 HB3 0.05 -0.04 0.19 -0.04 2.79 2.95 1d0hA1 ASN 1219 HD21 0.02 0.01 -0.02 -0.04 7.03 6.99 1d0hA1 ASN 1219 HD22 0.01 0.02 0.05 -0.04 7.74 7.78 1d0hA1 ASN 1220 H 0.04 0.02 -0.28 -0.55 8.53 7.77 1d0hA1 ASN 1220 HA 0.02 0.13 0.43 -0.75 4.76 4.60 1d0hA1 ASN 1220 HB2 0.01 0.03 0.09 -0.04 2.88 2.98 1d0hA1 ASN 1220 HB3 0.01 -0.02 0.05 -0.04 2.79 2.79 1d0hA1 ASN 1220 HD21 -0.11 -0.01 -0.10 -0.04 7.03 6.78 1d0hA1 ASN 1220 HD22 -0.14 0.03 -0.04 -0.04 7.74 7.55 1d0hA1 LEU 1221 H 0.01 0.56 -0.63 -0.55 8.37 7.76 1d0hA1 LEU 1221 HA -0.02 0.14 0.13 -0.75 4.35 3.85 1d0hA1 LEU 1221 HB2 0.02 0.18 0.14 -0.04 1.64 1.94 1d0hA1 LEU 1221 HB3 -0.01 -0.05 0.17 -0.04 1.64 1.72 1d0hA1 LEU 1221 HG 0.02 0.04 -0.28 -0.04 1.64 1.38 1d0hA1 LEU 1221 HD13 0.02 -0.02 -0.03 -0.04 0.93 0.86 1d0hA1 LEU 1221 HD23 0.01 0.03 -0.07 -0.04 0.89 0.82 1d0hA1 ASP 1222 H 0.01 -0.02 -0.05 -0.55 8.40 7.80 1d0hA1 ASP 1222 HA 0.01 0.27 0.82 -0.75 4.63 4.98 1d0hA1 ASP 1222 HB2 0.02 -0.14 0.12 -0.04 2.71 2.67 1d0hA1 ASP 1222 HB3 0.08 0.08 -0.08 -0.04 2.70 2.74 1d0hA1 ARG 1223 H -0.12 0.57 0.29 -0.55 8.46 8.65 1d0hA1 ARG 1223 HA -0.31 0.07 0.49 -0.75 4.34 3.83 1d0hA1 ARG 1223 HB2 -0.47 -0.08 0.05 -0.04 1.90 1.36 1d0hA1 ARG 1223 HB3 -1.90 0.05 -0.01 -0.04 1.80 -0.10 1d0hA1 ARG 1223 HG2 -0.21 0.20 0.23 -0.04 1.67 1.86 1d0hA1 ARG 1223 HG3 -0.37 -0.04 0.05 -0.04 1.67 1.27 1d0hA1 ARG 1223 HD2 -0.57 0.01 -0.07 -0.04 3.22 2.55 1d0hA1 ARG 1223 HD3 -0.20 -0.05 -0.22 -0.04 3.22 2.71 1d0hA1 ILE 1224 H -0.04 0.51 0.35 -0.55 8.25 8.53 1d0hA1 ILE 1224 HA 0.07 0.11 0.64 -0.75 4.18 4.25 1d0hA1 ILE 1224 HB -0.01 0.09 0.14 -0.04 1.89 2.07 1d0hA1 ILE 1224 HG12 -0.05 -0.00 -0.09 -0.04 1.49 1.31 1d0hA1 ILE 1224 HG13 -0.22 -0.03 -0.05 -0.04 1.21 0.86 1d0hA1 ILE 1224 HG23 0.04 0.03 -0.03 -0.04 0.93 0.93 1d0hA1 ILE 1224 HD13 -0.52 -0.04 -0.22 -0.04 0.88 0.07 1d0hA1 LEU 1225 H 0.13 0.40 0.26 -0.55 8.37 8.61 1d0hA1 LEU 1225 HA 0.15 0.16 0.51 -0.75 4.35 4.42 1d0hA1 LEU 1225 HB2 0.12 -0.08 -0.01 -0.04 1.64 1.64 1d0hA1 LEU 1225 HB3 0.10 -0.02 0.01 -0.04 1.64 1.69 1d0hA1 LEU 1225 HG 0.09 0.01 -0.31 -0.04 1.64 1.39 1d0hA1 LEU 1225 HD13 0.03 -0.02 -0.17 -0.04 0.93 0.74 1d0hA1 LEU 1225 HD23 0.08 -0.00 -0.30 -0.04 0.89 0.63 1d0hA1 ARG 1226 H 0.10 0.69 0.42 -0.55 8.46 9.12 1d0hA1 ARG 1226 HA 0.14 0.27 0.68 -0.75 4.34 4.69 1d0hA1 ARG 1226 HB2 0.03 -0.10 0.00 -0.04 1.90 1.79 1d0hA1 ARG 1226 HB3 0.17 0.15 -0.05 -0.04 1.80 2.03 1d0hA1 ARG 1226 HG2 0.05 0.13 -0.34 -0.04 1.67 1.47 1d0hA1 ARG 1226 HG3 -0.14 -0.09 -0.01 -0.04 1.67 1.38 1d0hA1 ARG 1226 HD2 0.17 0.00 -0.19 -0.04 3.22 3.17 1d0hA1 ARG 1226 HD3 0.11 -0.03 -0.15 -0.04 3.22 3.11 1d0hA1 VAL 1227 H 0.11 0.56 0.05 -0.55 8.24 8.41 1d0hA1 VAL 1227 HA 0.09 0.32 1.00 -0.75 4.13 4.79 1d0hA1 VAL 1227 HB 0.04 0.03 0.07 -0.04 2.12 2.23 1d0hA1 VAL 1227 HG13 0.04 -0.01 -0.21 -0.04 0.97 0.75 1d0hA1 VAL 1227 HG23 0.06 0.01 -0.18 -0.04 0.95 0.80 1d0hA1 GLY 1228 H 0.12 0.74 0.13 -0.55 8.43 8.87 1d0hA1 GLY 1228 HA2 0.15 0.00 0.34 -0.51 4.01 3.99 1d0hA1 GLY 1228 HA3 0.13 -0.02 0.51 -0.51 4.01 4.13 1d0hA1 TYR 1229 H 0.19 0.13 -0.30 -0.55 8.29 7.76 1d0hA1 TYR 1229 HA 0.02 0.05 0.46 -0.75 4.56 4.34 1d0hA1 TYR 1229 HB2 0.02 0.06 -0.07 -0.04 3.06 3.03 1d0hA1 TYR 1229 HB3 -0.01 -0.02 -0.05 -0.04 2.98 2.86 1d0hA1 TYR 1229 HD2 -0.02 0.15 -0.10 -0.04 7.15 7.13 1d0hA1 TYR 1229 HE2 -0.05 0.06 -0.01 -0.04 6.85 6.81 1d0hA1 ASN 1230 H -0.48 0.09 0.12 -0.55 8.53 7.71 1d0hA1 ASN 1230 HA -0.05 0.19 0.62 -0.75 4.76 4.76 1d0hA1 ASN 1230 HB2 -0.04 -0.03 0.08 -0.04 2.88 2.86 1d0hA1 ASN 1230 HB3 -0.01 0.07 -0.38 -0.04 2.79 2.43 1d0hA1 ASN 1230 HD21 -0.03 -0.02 -0.01 -0.04 7.03 6.92 1d0hA1 ASN 1230 HD22 -0.02 -0.01 -0.01 -0.04 7.74 7.66 1d0hA1 ALA 1231 H -0.79 0.08 0.02 -0.55 8.40 7.16 1d0hA1 ALA 1231 HA -0.17 0.11 0.56 -0.75 4.34 4.08 1d0hA1 ALA 1231 HB3 -0.19 0.01 0.10 -0.04 1.41 1.29 1d0hA1 PRO 1232 HA -0.02 0.03 0.47 -0.51 4.44 4.41 1d0hA1 PRO 1232 HB2 -0.02 0.01 0.01 -0.04 2.28 2.25 1d0hA1 PRO 1232 HB3 -0.02 0.04 0.14 -0.04 2.02 2.13 1d0hA1 PRO 1232 HG2 -0.03 0.01 0.13 -0.04 2.03 2.10 1d0hA1 PRO 1232 HG3 -0.03 0.03 0.11 -0.04 2.03 2.10 1d0hA1 PRO 1232 HD2 -0.07 0.02 0.28 -0.04 3.68 3.86 1d0hA1 PRO 1232 HD3 -0.06 0.22 0.27 -0.04 3.65 4.03 1d0hA1 GLY 1233 H -0.01 0.13 0.11 -0.55 8.43 8.12 1d0hA1 GLY 1233 HA2 -0.00 -0.03 0.34 -0.51 4.01 3.81 1d0hA1 GLY 1233 HA3 -0.00 0.10 0.44 -0.51 4.01 4.04 1d0hA1 ILE 1234 H 0.01 0.35 -0.65 -0.55 8.25 7.41 1d0hA1 ILE 1234 HA -0.02 0.11 0.57 -0.75 4.18 4.09 1d0hA1 ILE 1234 HB 0.13 0.02 0.03 -0.04 1.89 2.03 1d0hA1 ILE 1234 HG12 0.10 -0.08 -0.05 -0.04 1.49 1.41 1d0hA1 ILE 1234 HG13 0.03 0.04 -0.04 -0.04 1.21 1.19 1d0hA1 ILE 1234 HG23 -0.04 0.05 -0.14 -0.04 0.93 0.76 1d0hA1 ILE 1234 HD13 0.01 0.07 -0.16 -0.04 0.88 0.76 1d0hA1 PRO 1235 HA -0.11 0.02 0.38 -0.51 4.44 4.23 1d0hA1 PRO 1235 HB2 -0.38 -0.08 0.12 -0.04 2.28 1.90 1d0hA1 PRO 1235 HB3 -0.10 0.01 0.11 -0.04 2.02 2.01 1d0hA1 PRO 1235 HG2 -0.01 -0.01 0.12 -0.04 2.03 2.09 1d0hA1 PRO 1235 HG3 -0.02 0.09 0.12 -0.04 2.03 2.17 1d0hA1 PRO 1235 HD2 -0.09 0.05 0.24 -0.04 3.68 3.84 1d0hA1 PRO 1235 HD3 -0.03 0.40 0.43 -0.04 3.65 4.41 1d0hA1 LEU 1236 H -0.13 0.20 0.16 -0.55 8.37 8.04 1d0hA1 LEU 1236 HA -0.32 0.12 0.84 -0.75 4.35 4.24 1d0hA1 LEU 1236 HB2 0.03 0.09 -0.07 -0.04 1.64 1.66 1d0hA1 LEU 1236 HB3 0.00 -0.03 0.07 -0.04 1.64 1.64 1d0hA1 LEU 1236 HG 0.01 0.01 -0.59 -0.04 1.64 1.03 1d0hA1 LEU 1236 HD13 -0.10 -0.02 -0.41 -0.04 0.93 0.36 1d0hA1 LEU 1236 HD23 0.07 0.04 -0.18 -0.04 0.89 0.78 1d0hA1 TYR 1237 H -0.20 0.74 0.15 -0.55 8.29 8.42 1d0hA1 TYR 1237 HA 0.07 -0.01 0.73 -0.75 4.56 4.59 1d0hA1 TYR 1237 HB2 0.13 0.08 0.25 -0.04 3.06 3.49 1d0hA1 TYR 1237 HB3 0.11 0.22 0.14 -0.04 2.98 3.41 1d0hA1 TYR 1237 HD2 0.11 0.10 -0.06 -0.04 7.15 7.26 1d0hA1 TYR 1237 HE2 0.03 -0.02 0.02 -0.04 6.85 6.84 1d0hA1 LYS 1238 H 0.20 0.04 0.29 -0.55 8.42 8.40 1d0hA1 LYS 1238 HA 0.12 0.23 0.98 -0.75 4.32 4.90 1d0hA1 LYS 1238 HB2 0.06 -0.01 0.19 -0.04 1.87 2.06 1d0hA1 LYS 1238 HB3 0.06 0.03 -0.17 -0.04 1.79 1.67 1d0hA1 LYS 1238 HG2 0.07 -0.03 -0.07 -0.04 1.46 1.39 1d0hA1 LYS 1238 HG3 0.11 0.10 -0.05 -0.04 1.46 1.58 1d0hA1 LYS 1238 HD2 0.26 -0.01 -0.07 -0.04 1.69 1.83 1d0hA1 LYS 1238 HD3 0.21 -0.02 -0.09 -0.04 1.68 1.74 1d0hA1 LYS 1238 HE2 0.14 -0.00 -0.02 -0.04 2.99 3.07 1d0hA1 LYS 1238 HE3 0.13 0.03 0.02 -0.04 2.99 3.12 1d0hA1 LYS 1239 H 0.13 -0.02 0.20 -0.55 8.42 8.18 1d0hA1 LYS 1239 HA -0.07 0.19 0.60 -0.75 4.32 4.29 1d0hA1 LYS 1239 HB2 -0.59 0.00 0.10 -0.04 1.87 1.34 1d0hA1 LYS 1239 HB3 -0.08 -0.02 0.14 -0.04 1.79 1.79 1d0hA1 LYS 1239 HG2 -0.14 -0.04 -0.30 -0.04 1.46 0.94 1d0hA1 LYS 1239 HG3 -0.65 0.06 -0.01 -0.04 1.46 0.81 1d0hA1 LYS 1239 HD2 -0.95 0.00 -0.03 -0.04 1.69 0.68 1d0hA1 LYS 1239 HD3 -0.35 -0.01 -0.05 -0.04 1.68 1.23 1d0hA1 LYS 1239 HE2 -0.94 -0.03 -0.11 -0.04 2.99 1.87 1d0hA1 LYS 1239 HE3 -1.36 0.02 -0.07 -0.04 2.99 1.54 1d0hA1 MET 1240 H 0.09 0.56 0.50 -0.55 8.47 9.07 1d0hA1 MET 1240 HA 0.23 0.35 1.17 -0.75 4.52 5.52 1d0hA1 MET 1240 HB2 0.12 -0.02 -0.08 -0.04 2.15 2.13 1d0hA1 MET 1240 HB3 0.10 -0.07 -0.10 -0.04 2.03 1.91 1d0hA1 MET 1240 HG2 0.09 -0.02 -0.26 -0.04 2.63 2.40 1d0hA1 MET 1240 HG3 0.10 0.17 -0.26 -0.04 2.56 2.53 1d0hA1 MET 1240 HE3 0.04 0.03 -0.13 -0.04 2.10 2.00 1d0hA1 GLU 1241 H 0.19 0.50 0.32 -0.55 8.60 9.07 1d0hA1 GLU 1241 HA -0.13 0.36 0.85 -0.75 4.29 4.63 1d0hA1 GLU 1241 HB2 0.26 -0.01 -0.11 -0.04 2.09 2.20 1d0hA1 GLU 1241 HB3 0.15 -0.12 0.06 -0.04 1.99 2.04 1d0hA1 GLU 1241 HG2 -0.22 -0.01 -0.27 -0.04 2.34 1.79 1d0hA1 GLU 1241 HG3 -0.95 0.15 -0.30 -0.04 2.34 1.21 1d0hA1 ALA 1242 H -0.08 0.77 0.19 -0.55 8.40 8.74 1d0hA1 ALA 1242 HA -0.05 0.14 0.78 -0.75 4.34 4.46 1d0hA1 ALA 1242 HB3 -0.11 0.01 0.04 -0.04 1.41 1.31 1d0hA1 VAL 1243 H -0.03 0.75 0.39 -0.55 8.24 8.79 1d0hA1 VAL 1243 HA -0.06 0.12 1.02 -0.75 4.13 4.46 1d0hA1 VAL 1243 HB -0.00 -0.00 -0.02 -0.04 2.12 2.06 1d0hA1 VAL 1243 HG13 -0.02 -0.01 -0.29 -0.04 0.97 0.62 1d0hA1 VAL 1243 HG23 0.03 -0.00 -0.18 -0.04 0.95 0.76 1d0hA1 LYS 1244 H -0.03 0.22 0.10 -0.55 8.42 8.16 1d0hA1 LYS 1244 HA -0.01 0.16 0.89 -0.75 4.32 4.60 1d0hA1 LYS 1244 HB2 -0.02 0.03 0.05 -0.04 1.87 1.89 1d0hA1 LYS 1244 HB3 -0.02 -0.01 0.25 -0.04 1.79 1.97 1d0hA1 LYS 1244 HG2 -0.00 0.09 0.05 -0.04 1.46 1.55 1d0hA1 LYS 1244 HG3 -0.01 -0.09 -0.07 -0.04 1.46 1.25 1d0hA1 LYS 1244 HD2 -0.00 -0.15 0.08 -0.04 1.69 1.58 1d0hA1 LYS 1244 HD3 0.01 0.13 0.20 -0.04 1.68 1.97 1d0hA1 LYS 1244 HE2 0.04 0.03 0.09 -0.04 2.99 3.11 1d0hA1 LYS 1244 HE3 0.01 -0.18 -0.13 -0.04 2.99 2.65 1d0hA1 LEU 1245 H -0.01 0.15 -0.01 -0.55 8.37 7.95 1d0hA1 LEU 1245 HA 0.01 0.20 0.80 -0.75 4.35 4.61 1d0hA1 LEU 1245 HB2 -0.02 -0.03 -0.02 -0.04 1.64 1.54 1d0hA1 LEU 1245 HB3 0.01 0.03 -0.03 -0.04 1.64 1.60 1d0hA1 LEU 1245 HG 0.09 0.03 -0.00 -0.04 1.64 1.72 1d0hA1 LEU 1245 HD13 0.05 0.01 -0.23 -0.04 0.93 0.72 1d0hA1 LEU 1245 HD23 0.09 -0.01 -0.09 -0.04 0.89 0.84 1d0hA1 ARG 1246 H -0.02 0.22 -0.05 -0.55 8.46 8.07 1d0hA1 ARG 1246 HA -0.01 0.07 0.45 -0.75 4.34 4.09 1d0hA1 ARG 1246 HB2 -0.03 0.02 0.09 -0.04 1.90 1.95 1d0hA1 ARG 1246 HB3 -0.02 0.21 -0.10 -0.04 1.80 1.85 1d0hA1 ARG 1246 HG2 -0.04 -0.20 -0.32 -0.04 1.67 1.06 1d0hA1 ARG 1246 HG3 -0.05 0.04 -0.28 -0.04 1.67 1.34 1d0hA1 ARG 1246 HD2 -0.04 0.13 -0.09 -0.04 3.22 3.18 1d0hA1 ARG 1246 HD3 -0.08 -0.11 -0.18 -0.04 3.22 2.81 1d0hA1 ASP 1247 H -0.02 0.17 0.12 -0.55 8.40 8.13 1d0hA1 ASP 1247 HA -0.01 -0.03 0.38 -0.75 4.63 4.22 1d0hA1 ASP 1247 HB2 -0.03 0.04 -0.04 -0.04 2.71 2.64 1d0hA1 ASP 1247 HB3 -0.03 0.11 0.03 -0.04 2.70 2.77 1d0hA1 LEU 1248 H -0.01 0.04 -0.00 -0.55 8.37 7.85 1d0hA1 LEU 1248 HA 0.00 0.19 0.22 -0.75 4.35 4.01 1d0hA1 LEU 1248 HB2 -0.02 -0.07 0.06 -0.04 1.64 1.57 1d0hA1 LEU 1248 HB3 -0.03 -0.04 0.00 -0.04 1.64 1.52 1d0hA1 LEU 1248 HG -0.02 0.11 0.01 -0.04 1.64 1.70 1d0hA1 LEU 1248 HD13 -0.02 -0.00 -0.02 -0.04 0.93 0.84 1d0hA1 LEU 1248 HD23 -0.07 0.02 -0.03 -0.04 0.89 0.77 1d0hA1 LYS 1249 H -0.00 -0.01 -0.12 -0.55 8.42 7.73 1d0hA1 LYS 1249 HA 0.02 0.19 0.61 -0.75 4.32 4.38 1d0hA1 LYS 1249 HB2 0.07 -0.02 -0.02 -0.04 1.87 1.86 1d0hA1 LYS 1249 HB3 0.19 0.02 0.09 -0.04 1.79 2.06 1d0hA1 LYS 1249 HG2 -0.17 0.04 -0.04 -0.04 1.46 1.24 1d0hA1 LYS 1249 HG3 -0.02 -0.13 -0.00 -0.04 1.46 1.26 1d0hA1 LYS 1249 HD2 0.08 -0.04 -0.00 -0.04 1.69 1.69 1d0hA1 LYS 1249 HD3 0.25 0.07 -0.00 -0.04 1.68 1.96 1d0hA1 LYS 1249 HE2 0.10 0.02 -0.04 -0.04 2.99 3.03 1d0hA1 LYS 1249 HE3 0.01 -0.04 -0.02 -0.04 2.99 2.90 1d0hA1 THR 1250 H -0.01 0.20 -0.31 -0.55 8.28 7.61 1d0hA1 THR 1250 HA -0.16 0.09 0.55 -0.75 4.39 4.12 1d0hA1 THR 1250 HB -0.01 0.16 0.07 -0.04 4.32 4.51 1d0hA1 THR 1250 HG23 0.08 -0.01 -0.18 -0.04 1.22 1.07 1d0hA1 TYR 1251 H -0.14 0.14 0.04 -0.55 8.29 7.78 1d0hA1 TYR 1251 HA 0.06 0.18 0.52 -0.75 4.56 4.57 1d0hA1 TYR 1251 HB2 0.02 -0.05 0.17 -0.04 3.06 3.15 1d0hA1 TYR 1251 HB3 0.05 0.20 -0.01 -0.04 2.98 3.18 1d0hA1 TYR 1251 HD2 -0.03 0.12 -0.16 -0.04 7.15 7.04 1d0hA1 TYR 1251 HE2 0.15 0.03 -0.04 -0.04 6.85 6.95 1d0hA1 SER 1252 H 0.12 0.54 0.08 -0.55 8.46 8.64 1d0hA1 SER 1252 HA 0.18 0.24 0.99 -0.75 4.49 5.15 1d0hA1 SER 1252 HB2 -0.09 -0.14 0.05 -0.04 3.95 3.73 1d0hA1 SER 1252 HB3 -0.17 -0.05 -0.24 -0.04 3.93 3.42 1d0hA1 VAL 1253 H 0.13 0.39 0.42 -0.55 8.24 8.64 1d0hA1 VAL 1253 HA 0.01 0.19 0.93 -0.75 4.13 4.52 1d0hA1 VAL 1253 HB 0.20 0.03 0.04 -0.04 2.12 2.36 1d0hA1 VAL 1253 HG13 -0.06 -0.02 -0.19 -0.04 0.97 0.65 1d0hA1 VAL 1253 HG23 -0.18 0.02 -0.20 -0.04 0.95 0.55 1d0hA1 GLN 1254 H 0.02 0.73 0.47 -0.55 8.47 9.14 1d0hA1 GLN 1254 HA 0.14 0.37 1.03 -0.75 4.36 5.14 1d0hA1 GLN 1254 HB2 -0.01 -0.09 0.02 -0.04 2.15 2.03 1d0hA1 GLN 1254 HB3 -0.03 -0.04 0.08 -0.04 2.02 1.99 1d0hA1 GLN 1254 HG2 -0.10 -0.07 -0.09 -0.04 2.40 2.10 1d0hA1 GLN 1254 HG3 -0.06 0.27 -0.07 -0.04 2.39 2.49 1d0hA1 GLN 1254 HE21 -0.03 0.15 -0.13 -0.04 6.97 6.92 1d0hA1 GLN 1254 HE22 -0.07 0.01 -0.22 -0.04 7.69 7.37 1d0hA1 LEU 1255 H 0.09 0.28 0.26 -0.55 8.37 8.46 1d0hA1 LEU 1255 HA 0.03 0.31 1.06 -0.75 4.35 5.00 1d0hA1 LEU 1255 HB2 -0.02 -0.05 0.10 -0.04 1.64 1.63 1d0hA1 LEU 1255 HB3 0.01 0.03 -0.12 -0.04 1.64 1.52 1d0hA1 LEU 1255 HG 0.09 -0.02 -0.39 -0.04 1.64 1.27 1d0hA1 LEU 1255 HD13 -0.16 0.01 -0.14 -0.04 0.93 0.59 1d0hA1 LEU 1255 HD23 0.04 0.02 -0.12 -0.04 0.89 0.79 1d0hA1 LYS 1256 H 0.05 0.62 0.26 -0.55 8.42 8.80 1d0hA1 LYS 1256 HA 0.02 0.20 0.77 -0.75 4.32 4.55 1d0hA1 LYS 1256 HB2 0.10 -0.04 -0.12 -0.04 1.87 1.78 1d0hA1 LYS 1256 HB3 0.09 0.05 0.13 -0.04 1.79 2.02 1d0hA1 LYS 1256 HG2 -0.44 0.04 -0.29 -0.04 1.46 0.73 1d0hA1 LYS 1256 HG3 0.04 -0.07 -0.12 -0.04 1.46 1.27 1d0hA1 LYS 1256 HD2 0.29 -0.01 -0.09 -0.04 1.69 1.84 1d0hA1 LYS 1256 HD3 0.16 0.03 -0.09 -0.04 1.68 1.74 1d0hA1 LYS 1256 HE2 -0.43 0.04 -0.13 -0.04 2.99 2.43 1d0hA1 LYS 1256 HE3 -0.17 -0.10 -0.07 -0.04 2.99 2.62 1d0hA1 LEU 1257 H -0.02 0.54 0.24 -0.55 8.37 8.58 1d0hA1 LEU 1257 HA 0.08 0.28 0.92 -0.75 4.35 4.87 1d0hA1 LEU 1257 HB2 0.05 0.00 -0.05 -0.04 1.64 1.59 1d0hA1 LEU 1257 HB3 0.01 -0.06 -0.03 -0.04 1.64 1.53 1d0hA1 LEU 1257 HG 0.10 0.01 -0.31 -0.04 1.64 1.41 1d0hA1 LEU 1257 HD13 0.13 0.08 -0.23 -0.04 0.93 0.87 1d0hA1 LEU 1257 HD23 0.12 -0.01 -0.16 -0.04 0.89 0.79 1d0hA1 TYR 1258 H 0.20 0.73 0.28 -0.55 8.29 8.94 1d0hA1 TYR 1258 HA 0.00 0.14 0.97 -0.75 4.56 4.91 1d0hA1 TYR 1258 HB2 -0.04 0.04 -0.02 -0.04 3.06 3.00 1d0hA1 TYR 1258 HB3 -0.05 0.01 -0.11 -0.04 2.98 2.79 1d0hA1 TYR 1258 HD2 0.04 0.04 -0.51 -0.04 7.15 6.68 1d0hA1 TYR 1258 HE2 0.14 0.01 -0.17 -0.04 6.85 6.79 1d0hA1 ASP 1259 H -0.01 0.40 0.19 -0.55 8.40 8.44 1d0hA1 ASP 1259 HA -0.48 0.21 0.79 -0.75 4.63 4.39 1d0hA1 ASP 1259 HB2 -1.13 -0.06 0.19 -0.04 2.71 1.67 1d0hA1 ASP 1259 HB3 -0.58 0.12 0.05 -0.04 2.70 2.26 1d0hA1 ASP 1260 H -0.14 0.18 0.16 -0.55 8.40 8.05 1d0hA1 ASP 1260 HA 0.07 0.18 0.46 -0.75 4.63 4.59 1d0hA1 ASP 1260 HB2 0.21 -0.01 0.13 -0.04 2.71 2.99 1d0hA1 ASP 1260 HB3 0.10 0.06 0.11 -0.04 2.70 2.94 1d0hA1 LYS 1261 H -0.05 0.00 -0.23 -0.55 8.42 7.60 1d0hA1 LYS 1261 HA -0.00 0.24 0.77 -0.75 4.32 4.57 1d0hA1 LYS 1261 HB2 -0.02 -0.07 0.02 -0.04 1.87 1.76 1d0hA1 LYS 1261 HB3 -0.00 0.06 0.12 -0.04 1.79 1.92 1d0hA1 LYS 1261 HG2 0.01 0.05 0.01 -0.04 1.46 1.49 1d0hA1 LYS 1261 HG3 0.01 -0.04 -0.12 -0.04 1.46 1.28 1d0hA1 LYS 1261 HD2 0.00 -0.05 -0.01 -0.04 1.69 1.59 1d0hA1 LYS 1261 HD3 -0.00 0.01 -0.01 -0.04 1.68 1.63 1d0hA1 LYS 1261 HE2 0.01 0.02 -0.01 -0.04 2.99 2.97 1d0hA1 LYS 1261 HE3 0.02 0.01 -0.02 -0.04 2.99 2.97 1d0hA1 ASN 1262 H -0.01 0.36 -0.38 -0.55 8.53 7.95 1d0hA1 ASN 1262 HA -0.01 0.07 0.17 -0.75 4.76 4.25 1d0hA1 ASN 1262 HB2 -0.06 0.32 0.02 -0.04 2.88 3.11 1d0hA1 ASN 1262 HB3 -0.15 -0.05 0.18 -0.04 2.79 2.73 1d0hA1 ASN 1262 HD21 -0.14 -0.01 -0.09 -0.04 7.03 6.75 1d0hA1 ASN 1262 HD22 -0.10 0.03 -0.14 -0.04 7.74 7.49 1d0hA1 ALA 1263 H 0.04 -0.10 -0.16 -0.55 8.40 7.63 1d0hA1 ALA 1263 HA 0.07 0.20 0.72 -0.75 4.34 4.59 1d0hA1 ALA 1263 HB3 -0.01 0.01 -0.04 -0.04 1.41 1.33 1d0hA1 SER 1264 H -0.00 0.15 0.13 -0.55 8.46 8.19 1d0hA1 SER 1264 HA -0.35 0.14 0.32 -0.75 4.49 3.84 1d0hA1 SER 1264 HB2 -0.17 0.06 0.07 -0.04 3.95 3.87 1d0hA1 SER 1264 HB3 -0.09 0.01 0.11 -0.04 3.93 3.91 1d0hA1 LEU 1265 H -0.15 0.95 0.44 -0.55 8.37 9.07 1d0hA1 LEU 1265 HA -0.03 0.13 0.71 -0.75 4.35 4.41 1d0hA1 LEU 1265 HB2 -0.02 0.08 -0.17 -0.04 1.64 1.49 1d0hA1 LEU 1265 HB3 -0.05 -0.02 0.02 -0.04 1.64 1.55 1d0hA1 LEU 1265 HG -0.06 -0.01 -0.21 -0.04 1.64 1.32 1d0hA1 LEU 1265 HD13 0.06 -0.00 -0.23 -0.04 0.93 0.72 1d0hA1 LEU 1265 HD23 -0.05 0.01 -0.12 -0.04 0.89 0.69 1d0hA1 GLY 1266 H 0.01 0.04 -0.06 -0.55 8.43 7.87 1d0hA1 GLY 1266 HA2 0.28 -0.01 0.07 -0.51 4.01 3.84 1d0hA1 GLY 1266 HA3 0.13 0.05 0.34 -0.51 4.01 4.02 1d0hA1 LEU 1267 H 0.07 0.34 0.18 -0.55 8.37 8.41 1d0hA1 LEU 1267 HA -0.00 0.25 0.72 -0.75 4.35 4.56 1d0hA1 LEU 1267 HB2 -0.05 -0.08 0.10 -0.04 1.64 1.56 1d0hA1 LEU 1267 HB3 -0.16 0.14 0.10 -0.04 1.64 1.68 1d0hA1 LEU 1267 HG -0.98 -0.09 -0.01 -0.04 1.64 0.52 1d0hA1 LEU 1267 HD13 -0.38 0.00 -0.11 -0.04 0.93 0.41 1d0hA1 LEU 1267 HD23 -0.08 -0.01 -0.21 -0.04 0.89 0.56 1d0hA1 VAL 1268 H 0.05 0.65 0.44 -0.55 8.24 8.84 1d0hA1 VAL 1268 HA 0.13 0.24 0.82 -0.75 4.13 4.56 1d0hA1 VAL 1268 HB 0.02 -0.08 0.18 -0.04 2.12 2.21 1d0hA1 VAL 1268 HG13 -0.10 0.02 -0.08 -0.04 0.97 0.77 1d0hA1 VAL 1268 HG23 -0.02 0.02 -0.04 -0.04 0.95 0.87 1d0hA1 GLY 1269 H 0.26 0.60 0.27 -0.55 8.43 9.02 1d0hA1 GLY 1269 HA2 0.29 0.24 0.49 -0.51 4.01 4.52 1d0hA1 GLY 1269 HA3 0.17 -0.09 0.22 -0.51 4.01 3.80 1d0hA1 THR 1270 H 0.20 0.18 0.14 -0.55 8.28 8.24 1d0hA1 THR 1270 HA 0.21 0.33 0.81 -0.75 4.39 4.98 1d0hA1 THR 1270 HB 0.11 -0.07 -0.23 -0.04 4.32 4.09 1d0hA1 THR 1270 HG23 0.24 0.01 -0.32 -0.04 1.22 1.12 1d0hA1 HIS 1271 H 0.13 0.64 0.18 -0.55 8.41 8.81 1d0hA1 HIS 1271 HA -0.22 0.11 0.80 -0.75 4.63 4.56 1d0hA1 HIS 1271 HB2 -0.17 -0.02 -0.15 -0.04 3.26 2.89 1d0hA1 HIS 1271 HB3 -0.31 0.04 -0.01 -0.04 3.20 2.87 1d0hA1 HIS 1271 HD2 -1.35 0.00 -0.53 -0.04 6.97 5.05 1d0hA1 HIS 1271 HE1 -0.32 -0.07 0.03 -0.04 7.75 7.34 1d0hA1 ASN 1272 H -0.57 0.12 0.14 -0.55 8.53 7.67 1d0hA1 ASN 1272 HA -0.09 0.32 0.88 -0.75 4.76 5.12 1d0hA1 ASN 1272 HB2 -0.17 -0.02 0.04 -0.04 2.88 2.69 1d0hA1 ASN 1272 HB3 -0.28 -0.02 0.12 -0.04 2.79 2.57 1d0hA1 ASN 1272 HD21 -0.04 0.01 -0.15 -0.04 7.03 6.81 1d0hA1 ASN 1272 HD22 -0.05 -0.03 -0.17 -0.04 7.74 7.44 1d0hA1 GLY 1273 H -0.02 0.50 0.39 -0.55 8.43 8.76 1d0hA1 GLY 1273 HA2 0.00 0.01 0.35 -0.51 4.01 3.87 1d0hA1 GLY 1273 HA3 0.07 0.08 0.49 -0.51 4.01 4.14 1d0hA1 GLN 1274 H 0.15 0.22 0.18 -0.55 8.47 8.48 1d0hA1 GLN 1274 HA 0.02 0.19 0.68 -0.75 4.36 4.49 1d0hA1 GLN 1274 HB2 0.01 0.20 -0.06 -0.04 2.15 2.25 1d0hA1 GLN 1274 HB3 0.01 0.07 -0.13 -0.04 2.02 1.93 1d0hA1 GLN 1274 HG2 0.03 -0.03 -0.04 -0.04 2.40 2.32 1d0hA1 GLN 1274 HG3 0.01 0.09 -0.11 -0.04 2.39 2.35 1d0hA1 GLN 1274 HE21 0.02 -0.00 -0.03 -0.04 6.97 6.91 1d0hA1 GLN 1274 HE22 0.04 0.03 0.01 -0.04 7.69 7.73 1d0hA1 ILE 1275 H -0.03 0.29 0.03 -0.55 8.25 8.00 1d0hA1 ILE 1275 HA -0.07 0.09 0.74 -0.75 4.18 4.18 1d0hA1 ILE 1275 HB -0.18 0.00 0.12 -0.04 1.89 1.80 1d0hA1 ILE 1275 HG12 -0.27 0.03 -0.04 -0.04 1.49 1.18 1d0hA1 ILE 1275 HG13 -0.22 -0.06 -0.42 -0.04 1.21 0.47 1d0hA1 ILE 1275 HG23 -0.03 -0.01 -0.05 -0.04 0.93 0.80 1d0hA1 ILE 1275 HD13 -0.94 0.01 -0.06 -0.04 0.88 -0.15 1d0hA1 GLY 1276 H -0.02 0.15 0.06 -0.55 8.43 8.08 1d0hA1 GLY 1276 HA2 0.00 0.05 0.33 -0.51 4.01 3.88 1d0hA1 GLY 1276 HA3 0.02 0.01 0.35 -0.51 4.01 3.88 1d0hA1 ASN 1277 H 0.02 0.11 0.18 -0.55 8.53 8.29 1d0hA1 ASN 1277 HA 0.01 0.21 0.76 -0.75 4.76 4.98 1d0hA1 ASN 1277 HB2 0.01 -0.04 0.11 -0.04 2.88 2.92 1d0hA1 ASN 1277 HB3 0.01 0.01 0.16 -0.04 2.79 2.94 1d0hA1 ASN 1277 HD21 0.01 0.01 -0.10 -0.04 7.03 6.91 1d0hA1 ASN 1277 HD22 0.01 -0.14 -0.23 -0.04 7.74 7.34 1d0hA1 ASP 1278 H 0.02 0.39 -0.15 -0.55 8.40 8.11 1d0hA1 ASP 1278 HA 0.01 0.05 0.51 -0.75 4.63 4.44 1d0hA1 ASP 1278 HB2 0.05 0.00 0.13 -0.04 2.71 2.85 1d0hA1 ASP 1278 HB3 0.03 0.09 0.02 -0.04 2.70 2.80 1d0hA1 PRO 1279 HA -0.01 0.01 0.40 -0.51 4.44 4.33 1d0hA1 PRO 1279 HB2 -0.02 0.14 0.01 -0.04 2.28 2.37 1d0hA1 PRO 1279 HB3 -0.01 -0.01 0.14 -0.04 2.02 2.09 1d0hA1 PRO 1279 HG2 -0.07 0.03 0.04 -0.04 2.03 2.00 1d0hA1 PRO 1279 HG3 -0.02 0.02 0.09 -0.04 2.03 2.08 1d0hA1 PRO 1279 HD2 -0.03 0.05 0.21 -0.04 3.68 3.87 1d0hA1 PRO 1279 HD3 -0.01 0.15 0.22 -0.04 3.65 3.97 1d0hA1 ASN 1280 H -0.01 0.02 0.14 -0.55 8.53 8.15 1d0hA1 ASN 1280 HA 0.00 0.19 0.52 -0.75 4.76 4.72 1d0hA1 ASN 1280 HB2 -0.00 -0.01 0.09 -0.04 2.88 2.92 1d0hA1 ASN 1280 HB3 -0.01 -0.04 0.15 -0.04 2.79 2.85 1d0hA1 ASN 1280 HD21 -0.04 -0.05 -0.09 -0.04 7.03 6.81 1d0hA1 ASN 1280 HD22 -0.01 -0.01 -0.08 -0.04 7.74 7.60 1d0hA1 ARG 1281 H 0.02 0.69 0.44 -0.55 8.46 9.06 1d0hA1 ARG 1281 HA 0.05 0.09 0.68 -0.75 4.34 4.41 1d0hA1 ARG 1281 HB2 0.02 0.04 -0.03 -0.04 1.90 1.89 1d0hA1 ARG 1281 HB3 0.13 -0.05 -0.15 -0.04 1.80 1.69 1d0hA1 ARG 1281 HG2 -0.07 0.01 -0.05 -0.04 1.67 1.52 1d0hA1 ARG 1281 HG3 -0.08 0.15 -0.65 -0.04 1.67 1.05 1d0hA1 ARG 1281 HD2 -0.17 0.04 -0.13 -0.04 3.22 2.92 1d0hA1 ARG 1281 HD3 -0.89 -0.06 -0.14 -0.04 3.22 2.08 1d0hA1 ASP 1282 H 0.12 0.20 0.11 -0.55 8.40 8.29 1d0hA1 ASP 1282 HA 0.03 0.13 0.65 -0.75 4.63 4.70 1d0hA1 ASP 1282 HB2 0.09 -0.03 0.19 -0.04 2.71 2.93 1d0hA1 ASP 1282 HB3 0.05 0.00 -0.02 -0.04 2.70 2.69 1d0hA1 ILE 1283 H 0.12 0.77 0.23 -0.55 8.25 8.82 1d0hA1 ILE 1283 HA 0.31 0.18 0.82 -0.75 4.18 4.74 1d0hA1 ILE 1283 HB 0.21 0.01 0.10 -0.04 1.89 2.17 1d0hA1 ILE 1283 HG12 -0.04 -0.00 -0.10 -0.04 1.49 1.30 1d0hA1 ILE 1283 HG13 0.17 -0.14 -0.33 -0.04 1.21 0.87 1d0hA1 ILE 1283 HG23 0.11 0.05 -0.05 -0.04 0.93 0.99 1d0hA1 ILE 1283 HD13 0.03 0.01 -0.19 -0.04 0.88 0.69 1d0hA1 LEU 1284 H 0.28 0.56 0.26 -0.55 8.37 8.92 1d0hA1 LEU 1284 HA 0.24 0.22 0.64 -0.75 4.35 4.70 1d0hA1 LEU 1284 HB2 0.18 -0.10 0.17 -0.04 1.64 1.85 1d0hA1 LEU 1284 HB3 0.11 0.04 0.04 -0.04 1.64 1.79 1d0hA1 LEU 1284 HG 0.17 -0.10 -0.16 -0.04 1.64 1.52 1d0hA1 LEU 1284 HD13 -0.13 0.00 -0.09 -0.04 0.93 0.67 1d0hA1 LEU 1284 HD23 0.38 0.03 -0.18 -0.04 0.89 1.08 1d0hA1 ILE 1285 H 0.21 0.55 0.25 -0.55 8.25 8.71 1d0hA1 ILE 1285 HA 0.11 0.28 0.91 -0.75 4.18 4.73 1d0hA1 ILE 1285 HB 0.11 -0.02 -0.18 -0.04 1.89 1.76 1d0hA1 ILE 1285 HG12 0.17 -0.06 -0.44 -0.04 1.49 1.12 1d0hA1 ILE 1285 HG13 0.20 0.00 -0.50 -0.04 1.21 0.87 1d0hA1 ILE 1285 HG23 0.23 0.01 -0.49 -0.04 0.93 0.64 1d0hA1 ILE 1285 HD13 0.22 -0.02 -0.53 -0.04 0.88 0.51 1d0hA1 ALA 1286 H 0.02 0.44 0.21 -0.55 8.40 8.53 1d0hA1 ALA 1286 HA 0.12 0.24 0.58 -0.75 4.34 4.52 1d0hA1 ALA 1286 HB3 0.01 0.01 -0.17 -0.04 1.41 1.22 1d0hA1 SER 1287 H 0.21 0.59 0.10 -0.55 8.46 8.81 1d0hA1 SER 1287 HA 0.08 0.32 0.76 -0.75 4.49 4.89 1d0hA1 SER 1287 HB2 0.06 0.08 -0.14 -0.04 3.95 3.91 1d0hA1 SER 1287 HB3 0.08 -0.01 -0.02 -0.04 3.93 3.94 1d0hA1 ASN 1288 H 0.13 0.36 0.10 -0.55 8.53 8.58 1d0hA1 ASN 1288 HA 0.37 0.03 0.72 -0.75 4.76 5.13 1d0hA1 ASN 1288 HB2 0.14 0.09 0.07 -0.04 2.88 3.14 1d0hA1 ASN 1288 HB3 0.20 0.01 0.06 -0.04 2.79 3.02 1d0hA1 ASN 1288 HD21 0.03 0.36 -0.18 -0.04 7.03 7.20 1d0hA1 ASN 1288 HD22 0.06 0.03 -0.04 -0.04 7.74 7.74 1d0hA1 TRP 1289 H 0.24 0.13 -0.21 -0.55 7.97 7.57 1d0hA1 TRP 1289 HA 0.03 0.10 0.28 -0.75 4.62 4.27 1d0hA1 TRP 1289 HB2 -0.10 0.06 0.05 -0.04 3.23 3.19 1d0hA1 TRP 1289 HB3 -0.35 -0.02 -0.01 -0.04 3.23 2.81 1d0hA1 TRP 1289 HD1 -0.03 0.02 -0.00 -0.04 7.22 7.17 1d0hA1 TRP 1289 HE1 -0.13 0.02 -0.03 -0.04 10.20 10.03 1d0hA1 TRP 1289 HE3 -1.05 -0.04 -0.24 -0.04 7.59 6.23 1d0hA1 TRP 1289 HZ2 -0.49 0.02 -0.03 -0.04 7.44 6.91 1d0hA1 TRP 1289 HZ3 -0.15 -0.07 -0.05 -0.04 7.13 6.82 1d0hA1 TRP 1289 HH2 -0.30 0.02 -0.01 -0.04 7.19 6.86 1d0hA1 TYR 1290 H 0.06 0.18 -0.39 -0.55 8.29 7.59 1d0hA1 TYR 1290 HA -0.10 0.04 0.22 -0.75 4.56 3.97 1d0hA1 TYR 1290 HB2 -0.22 0.03 -0.03 -0.04 3.06 2.80 1d0hA1 TYR 1290 HB3 -0.14 0.01 -0.09 -0.04 2.98 2.72 1d0hA1 TYR 1290 HD2 0.13 0.08 -0.01 -0.04 7.15 7.31 1d0hA1 TYR 1290 HE2 0.15 -0.04 -0.12 -0.04 6.85 6.80 1d0hA1 PHE 1291 H 0.10 0.41 -0.32 -0.55 8.34 7.97 1d0hA1 PHE 1291 HA 0.01 0.05 0.52 -0.75 4.62 4.45 1d0hA1 PHE 1291 HB2 -0.00 0.18 0.11 -0.04 3.15 3.40 1d0hA1 PHE 1291 HB3 -0.02 -0.00 0.04 -0.04 3.06 3.03 1d0hA1 PHE 1291 HD2 0.02 0.04 0.09 -0.04 7.28 7.40 1d0hA1 PHE 1291 HE2 0.00 -0.04 -0.04 -0.04 7.38 7.26 1d0hA1 PHE 1291 HZ -0.02 -0.00 -0.09 -0.04 7.32 7.17 1d0hA1 ASN 1292 H -0.10 0.48 -0.25 -0.55 8.53 8.11 1d0hA1 ASN 1292 HA -0.16 0.17 0.85 -0.75 4.76 4.87 1d0hA1 ASN 1292 HB2 -0.14 -0.02 0.04 -0.04 2.88 2.72 1d0hA1 ASN 1292 HB3 -0.41 0.05 0.06 -0.04 2.79 2.45 1d0hA1 ASN 1292 HD21 -0.20 -0.01 0.05 -0.04 7.03 6.83 1d0hA1 ASN 1292 HD22 -0.26 -0.00 0.04 -0.04 7.74 7.47 1d0hA1 HIS 1293 H -0.16 0.45 -0.34 -0.55 8.41 7.81 1d0hA1 HIS 1293 HA -0.20 0.15 0.73 -0.75 4.63 4.55 1d0hA1 HIS 1293 HB2 -0.58 0.02 0.04 -0.04 3.26 2.71 1d0hA1 HIS 1293 HB3 -0.29 -0.06 0.19 -0.04 3.20 2.99 1d0hA1 HIS 1293 HD2 -0.20 -0.04 0.04 -0.04 6.97 6.73 1d0hA1 HIS 1293 HE1 -0.75 -0.03 -0.06 -0.04 7.75 6.87 1d0hA1 LEU 1294 H -0.08 0.23 -0.09 -0.55 8.37 7.88 1d0hA1 LEU 1294 HA -0.03 0.07 0.24 -0.75 4.35 3.88 1d0hA1 LEU 1294 HB2 -0.01 0.02 0.06 -0.04 1.64 1.67 1d0hA1 LEU 1294 HB3 -0.01 0.08 0.08 -0.04 1.64 1.75 1d0hA1 LEU 1294 HG -0.01 0.05 0.10 -0.04 1.64 1.73 1d0hA1 LEU 1294 HD13 0.13 0.01 0.05 -0.04 0.93 1.07 1d0hA1 LEU 1294 HD23 -0.08 -0.03 -0.12 -0.04 0.89 0.61 1d0hA1 LYS 1295 H -0.05 0.02 -0.47 -0.55 8.42 7.36 1d0hA1 LYS 1295 HA -0.02 0.21 0.82 -0.75 4.32 4.57 1d0hA1 LYS 1295 HB2 -0.04 -0.03 -0.04 -0.04 1.87 1.71 1d0hA1 LYS 1295 HB3 -0.02 -0.01 0.05 -0.04 1.79 1.77 1d0hA1 LYS 1295 HG2 -0.02 0.03 0.01 -0.04 1.46 1.44 1d0hA1 LYS 1295 HG3 -0.03 -0.03 -0.12 -0.04 1.46 1.24 1d0hA1 LYS 1295 HD2 -0.04 -0.01 -0.03 -0.04 1.69 1.57 1d0hA1 LYS 1295 HD3 -0.03 -0.01 -0.01 -0.04 1.68 1.59 1d0hA1 LYS 1295 HE2 -0.02 -0.00 -0.01 -0.04 2.99 2.91 1d0hA1 LYS 1295 HE3 -0.03 0.02 -0.03 -0.04 2.99 2.91 1d0hA1 ASP 1296 H -0.01 0.36 -0.19 -0.55 8.40 8.02 1d0hA1 ASP 1296 HA 0.01 -0.01 0.42 -0.75 4.63 4.29 1d0hA1 ASP 1296 HB2 0.03 0.09 -0.05 -0.04 2.71 2.74 1d0hA1 ASP 1296 HB3 0.03 -0.08 0.05 -0.04 2.70 2.67 1d0hA1 LYS 1297 H 0.01 0.05 0.16 -0.55 8.42 8.09 1d0hA1 LYS 1297 HA 0.00 0.12 0.40 -0.75 4.32 4.09 1d0hA1 LYS 1297 HB2 0.01 0.00 0.13 -0.04 1.87 1.97 1d0hA1 LYS 1297 HB3 0.01 -0.07 0.13 -0.04 1.79 1.82 1d0hA1 LYS 1297 HG2 0.01 0.03 -0.24 -0.04 1.46 1.21 1d0hA1 LYS 1297 HG3 0.01 0.01 0.02 -0.04 1.46 1.47 1d0hA1 LYS 1297 HD2 0.02 -0.01 0.00 -0.04 1.69 1.66 1d0hA1 LYS 1297 HD3 0.01 -0.03 -0.02 -0.04 1.68 1.61 1d0hA1 LYS 1297 HE2 0.02 0.02 -0.05 -0.04 2.99 2.94 1d0hA1 LYS 1297 HE3 0.02 -0.00 -0.02 -0.04 2.99 2.95 1d0hA1 ILE 1298 H 0.01 0.09 0.02 -0.55 8.25 7.83 1d0hA1 ILE 1298 HA -0.03 0.21 0.79 -0.75 4.18 4.41 1d0hA1 ILE 1298 HB 0.00 -0.04 0.04 -0.04 1.89 1.84 1d0hA1 ILE 1298 HG12 0.01 -0.11 -0.12 -0.04 1.49 1.23 1d0hA1 ILE 1298 HG13 0.00 0.03 -0.03 -0.04 1.21 1.17 1d0hA1 ILE 1298 HG23 -0.04 0.02 -0.05 -0.04 0.93 0.82 1d0hA1 ILE 1298 HD13 0.00 0.09 -0.18 -0.04 0.88 0.76 1d0hA1 LEU 1299 H -0.08 0.26 0.06 -0.55 8.37 8.06 1d0hA1 LEU 1299 HA 0.07 0.14 0.81 -0.75 4.35 4.62 1d0hA1 LEU 1299 HB2 0.00 0.14 -0.43 -0.04 1.64 1.32 1d0hA1 LEU 1299 HB3 -0.07 -0.03 -0.07 -0.04 1.64 1.43 1d0hA1 LEU 1299 HG 0.15 -0.19 -0.08 -0.04 1.64 1.48 1d0hA1 LEU 1299 HD13 0.19 0.00 0.04 -0.04 0.93 1.12 1d0hA1 LEU 1299 HD23 0.01 0.07 -0.20 -0.04 0.89 0.73 1d0hA1 GLY 1300 H 0.18 0.21 0.10 -0.55 8.43 8.37 1d0hA1 GLY 1300 HA2 -0.20 0.06 0.31 -0.51 4.01 3.67 1d0hA1 GLY 1300 HA3 0.05 0.04 0.35 -0.51 4.01 3.95 1d0hA1 CYS 1301 H -0.44 0.03 -0.52 -0.55 8.50 7.03 1d0hA1 CYS 1301 HA -0.41 0.39 0.92 -0.75 4.58 4.74 1d0hA1 CYS 1301 HB2 -0.41 -0.00 0.11 -0.04 2.97 2.63 1d0hA1 CYS 1301 HB3 -1.75 -0.08 -0.13 -0.04 2.97 0.97 1d0hA1 ASP 1302 H -0.44 0.27 -0.04 -0.55 8.40 7.64 1d0hA1 ASP 1302 HA -0.18 0.27 0.82 -0.75 4.63 4.79 1d0hA1 ASP 1302 HB2 -0.31 -0.13 0.13 -0.04 2.71 2.36 1d0hA1 ASP 1302 HB3 -0.23 0.07 -0.02 -0.04 2.70 2.48 1d0hA1 TRP 1303 H 0.07 0.58 0.40 -0.55 7.97 8.48 1d0hA1 TRP 1303 HA -0.15 0.14 1.08 -0.75 4.62 4.94 1d0hA1 TRP 1303 HB2 0.05 0.02 -0.03 -0.04 3.23 3.24 1d0hA1 TRP 1303 HB3 -0.19 0.02 -0.18 -0.04 3.23 2.83 1d0hA1 TRP 1303 HD1 -0.08 0.09 -0.06 -0.04 7.22 7.12 1d0hA1 TRP 1303 HE1 -0.13 0.32 -0.26 -0.04 10.20 10.09 1d0hA1 TRP 1303 HE3 -0.16 -0.01 -0.44 -0.04 7.59 6.94 1d0hA1 TRP 1303 HZ2 -0.05 0.02 -0.26 -0.04 7.44 7.12 1d0hA1 TRP 1303 HZ3 -0.07 0.05 -0.25 -0.04 7.13 6.82 1d0hA1 TRP 1303 HH2 -0.02 -0.03 -0.19 -0.04 7.19 6.90 1d0hA1 TYR 1304 H 0.21 0.76 0.38 -0.55 8.29 9.09 1d0hA1 TYR 1304 HA 0.23 0.28 0.96 -0.75 4.56 5.27 1d0hA1 TYR 1304 HB2 0.08 -0.02 0.21 -0.04 3.06 3.28 1d0hA1 TYR 1304 HB3 0.16 -0.00 -0.01 -0.04 2.98 3.09 1d0hA1 TYR 1304 HD2 0.22 0.18 -0.06 -0.04 7.15 7.45 1d0hA1 TYR 1304 HE2 0.22 -0.03 -0.09 -0.04 6.85 6.91 1d0hA1 PHE 1305 H 0.40 0.30 0.14 -0.55 8.34 8.63 1d0hA1 PHE 1305 HA 0.07 0.20 0.83 -0.75 4.62 4.96 1d0hA1 PHE 1305 HB2 -0.25 0.05 0.14 -0.04 3.15 3.05 1d0hA1 PHE 1305 HB3 -0.72 -0.00 -0.03 -0.04 3.06 2.27 1d0hA1 PHE 1305 HD2 -0.22 0.03 -0.25 -0.04 7.28 6.80 1d0hA1 PHE 1305 HE2 -0.09 -0.01 -0.21 -0.04 7.38 7.03 1d0hA1 PHE 1305 HZ -0.22 -0.03 -0.19 -0.04 7.32 6.84 1d0hA1 VAL 1306 H 0.19 0.69 0.19 -0.55 8.24 8.76 1d0hA1 VAL 1306 HA 0.03 0.13 1.02 -0.75 4.13 4.56 1d0hA1 VAL 1306 HB 0.12 -0.05 0.27 -0.04 2.12 2.41 1d0hA1 VAL 1306 HG13 -0.30 -0.00 -0.15 -0.04 0.97 0.48 1d0hA1 VAL 1306 HG23 -0.50 0.03 -0.10 -0.04 0.95 0.34 1d0hA1 PRO 1307 HA 0.15 0.17 0.76 -0.51 4.44 5.01 1d0hA1 PRO 1307 HB2 0.16 0.12 -0.01 -0.04 2.28 2.51 1d0hA1 PRO 1307 HB3 -0.11 0.08 0.08 -0.04 2.02 2.02 1d0hA1 PRO 1307 HG2 0.67 0.03 0.02 -0.04 2.03 2.71 1d0hA1 PRO 1307 HG3 0.47 0.03 0.06 -0.04 2.03 2.55 1d0hA1 PRO 1307 HD2 0.07 0.03 0.31 -0.04 3.68 4.05 1d0hA1 PRO 1307 HD3 0.45 0.26 0.26 -0.04 3.65 4.58 1d0hA1 THR 1308 H 0.10 0.10 0.18 -0.55 8.28 8.11 1d0hA1 THR 1308 HA -0.47 0.06 0.32 -0.75 4.39 3.55 1d0hA1 THR 1308 HB -0.34 0.02 0.08 -0.04 4.32 4.03 1d0hA1 THR 1308 HG23 -0.23 0.00 0.07 -0.04 1.22 1.02 1d0hA1 ASP 1309 H 0.21 0.29 0.24 -0.55 8.40 8.59 1d0hA1 ASP 1309 HA 0.02 0.10 0.60 -0.75 4.63 4.60 1d0hA1 ASP 1309 HB2 0.13 0.21 -0.20 -0.04 2.71 2.80 1d0hA1 ASP 1309 HB3 -0.27 0.01 0.02 -0.04 2.70 2.42 1d0hA1 GLU 1310 H -0.01 0.21 0.10 -0.55 8.60 8.35 1d0hA1 GLU 1310 HA 0.06 0.07 0.20 -0.75 4.29 3.86 1d0hA1 GLU 1310 HB2 0.07 0.03 0.07 -0.04 2.09 2.22 1d0hA1 GLU 1310 HB3 0.01 0.00 0.09 -0.04 1.99 2.06 1d0hA1 GLU 1310 HG2 -0.03 -0.06 0.04 -0.04 2.34 2.24 1d0hA1 GLU 1310 HG3 0.18 0.07 -0.27 -0.04 2.34 2.27 1d0hA1 GLY 1311 H -0.09 0.05 -0.38 -0.55 8.43 7.47 1d0hA1 GLY 1311 HA2 -0.01 0.11 0.60 -0.51 4.01 4.21 1d0hA1 GLY 1311 HA3 -0.13 0.02 0.21 -0.51 4.01 3.60 1d0hA1 TRP 1312 H 0.11 0.66 -0.26 -0.55 7.97 7.92 1d0hA1 TRP 1312 HA -0.08 0.13 0.46 -0.75 4.62 4.37 1d0hA1 TRP 1312 HB2 -0.17 0.10 -0.07 -0.04 3.23 3.04 1d0hA1 TRP 1312 HB3 0.14 -0.03 0.05 -0.04 3.23 3.35 1d0hA1 TRP 1312 HD1 0.07 -0.07 -0.61 -0.04 7.22 6.56 1d0hA1 TRP 1312 HE1 -0.12 -0.18 -0.16 -0.04 10.20 9.71 1d0hA1 TRP 1312 HE3 0.22 0.13 -0.08 -0.04 7.59 7.82 1d0hA1 TRP 1312 HZ2 -0.27 0.03 -0.09 -0.04 7.44 7.07 1d0hA1 TRP 1312 HZ3 0.08 0.30 -0.11 -0.04 7.13 7.36 1d0hA1 TRP 1312 HH2 -0.04 -0.19 -0.29 -0.04 7.19 6.63 1d0hA1 THR 1313 H -0.16 0.26 -0.04 -0.55 8.28 7.79 1d0hA1 THR 1313 HA 0.30 0.16 0.84 -0.75 4.39 4.94 1d0hA1 THR 1313 HB -0.05 -0.06 0.00 -0.04 4.32 4.18 1d0hA1 THR 1313 HG23 0.05 0.06 -0.08 -0.04 1.22 1.20 1d0hA1 ASN 1314 H 0.26 0.16 0.09 -0.55 8.53 8.50 1d0hA1 ASN 1314 HA 0.11 0.09 0.51 -0.75 4.76 4.71 1d0hA1 ASN 1314 HB2 0.17 0.04 0.06 -0.04 2.88 3.10 1d0hA1 ASN 1314 HB3 0.21 -0.04 0.02 -0.04 2.79 2.95 1d0hA1 ASN 1314 HD21 0.09 0.46 0.08 -0.04 7.03 7.62 1d0hA1 ASN 1314 HD22 0.19 -0.02 0.02 -0.04 7.74 7.90 1d0hA1 ASP 1315 H -0.18 0.14 0.04 -0.55 8.40 7.85 1d0hA1 ASP 1315 HA -0.18 0.09 0.18 -0.75 4.63 3.97 1d0hA1 ASP 1315 HB2 -1.45 0.04 0.08 -0.04 2.71 1.34 1d0hA1 ASP 1315 HB3 -0.58 0.01 0.08 -0.04 2.70 2.17