NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3496 8.1233 122.4739 51.7371 20.9004 175.1189 3 K 4.9787 8.1075 117.7687 53.9219 35.6635 173.6776 4 W 5.0699 9.6198 124.0585 54.8016 33.2275 173.9588 5 R 5.1457 9.1872 124.9891 54.3594 32.6703 174.1328 6 C 3.7678 8.9730 127.6564 58.9290 31.7568 174.6748 7 K 4.0257 8.8835 127.1772 59.2982 32.1429 178.9313 8 I 3.9058 7.7839 119.2635 63.8682 37.1007 176.4247 9 C 4.6651 7.7543 109.7866 56.9454 30.6243 174.7104 10 G 3.9034 8.4266 108.8003 45.4499 0.0000 173.2136 11 Y 4.2229 7.7902 121.5388 57.8539 40.0313 174.6126 12 I 4.9567 7.4875 126.3646 59.6596 39.7186 174.0343 13 Y 4.6207 9.3970 129.0912 56.1698 40.8004 173.4823 14 D 4.9324 7.7709 126.1472 52.3109 43.0231 176.2058 15 E 3.9727 9.0172 126.8220 59.6284 30.0241 179.5633 16 D 4.3424 8.4091 118.6577 56.5097 41.0770 177.0881 17 E 4.2460 7.9500 117.4893 55.5521 30.9396 178.2081 18 G 3.9001 7.8093 106.8274 45.8668 0.0000 174.1487 19 D 4.9798 8.5630 111.3057 52.7345 42.5163 174.7469 20 P 4.4212 0.0000 0.0000 65.6217 32.3091 178.6893 21 D 4.4115 8.3972 116.7541 57.5670 40.6898 177.4406 22 N 4.7842 8.2924 113.2850 53.1525 38.6955 175.4711 23 G 3.8471 8.7173 105.2803 46.3213 0.0000 174.1322 24 I 4.2293 7.7716 121.5716 59.0057 37.7830 175.5494 25 S 4.4521 8.5299 120.7072 57.4228 62.8812 171.6660 26 P 4.3382 0.0000 0.0000 64.5560 31.5322 176.4880 27 G 4.0096 8.9753 110.6271 45.6516 0.0000 174.1047 28 T 4.0150 7.3440 116.5472 63.1429 68.8625 174.7303 29 K 4.4641 8.4830 126.1423 55.9692 33.2100 177.9389 30 F 3.4892 9.2871 124.7860 60.9647 39.2379 177.2605 31 E 3.7889 7.8964 116.7696 58.2210 29.6301 176.8679 32 D 4.5891 7.5343 118.2247 53.7978 41.1848 176.6924 33 L 3.7857 6.7399 119.3358 53.5754 42.2205 175.4331 34 P 4.3308 0.0000 0.0000 62.6107 31.8745 177.4714 35 D 4.3076 8.6668 121.2894 57.3112 40.8094 177.2887 36 D 4.6140 7.9164 115.7426 52.9240 39.9416 175.8866 37 W 4.1363 8.0819 131.3291 57.2321 31.1135 175.4407 38 V 4.2635 7.0168 117.3858 58.6481 35.2498 174.4887 39 C 3.6921 8.5243 120.8493 59.4160 31.3509 172.9020 40 P 3.9586 0.0000 0.0000 64.7640 31.2754 177.3166 41 L 4.2006 7.4825 119.1951 56.4139 42.4103 176.5699 42 C 4.6156 7.7764 109.3129 56.9106 30.9807 174.7538 43 G 3.7675 8.2448 108.2924 45.2069 0.0000 173.7889 44 A 4.1263 7.5755 122.9196 51.2367 19.2333 175.8723 45 P 4.9186 0.0000 0.0000 61.9245 32.6381 177.5216 46 K 4.2071 8.8134 118.2558 59.7078 31.9821 179.5646 47 S 4.4047 8.2144 111.8580 60.6019 63.2050 174.5019 48 E 4.4890 8.6982 120.2047 56.4428 29.5658 175.6361 49 F 5.2329 8.5206 118.6772 56.2153 40.7025 174.9082 50 E 5.0311 8.8192 121.0569 54.2291 33.0592 174.9468 51 R 3.6029 8.4333 122.6188 56.3457 29.9990 175.8946 52 I 4.3178 8.1873 119.0030 60.9305 39.6743 175.6318 53 E 4.0922 7.5024 126.6675 56.7480 30.4084 174.6460 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 A 8.12 4.35 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.11 4.98 0.00 1.64 1.62 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.47 7.81 4 W 9.62 5.07 0.00 3.11 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 9.19 5.15 0.00 1.83 1.74 0.00 3.07 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 6 C 8.97 3.77 0.00 2.07 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.88 4.03 0.00 1.83 1.85 0.00 1.77 0.00 0.00 1.89 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.53 7.81 8 I 7.78 3.91 1.83 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.73 0.90 0.00 0.00 9 C 7.75 4.67 0.00 3.04 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.43 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.79 4.22 0.00 3.22 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.49 4.96 1.71 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.91 0.87 0.00 0.00 13 Y 9.40 4.62 0.00 3.67 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 7.77 4.93 0.00 2.60 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.02 3.97 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.70 0.00 16 D 8.41 4.34 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.95 4.25 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 18 G 7.81 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.56 4.98 0.00 3.22 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.42 0.00 2.26 2.13 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 21 D 8.40 4.41 0.00 2.75 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.29 4.78 0.00 3.00 2.93 0.00 0.00 6.90 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.72 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.77 4.23 2.18 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.10 0.92 0.00 0.00 25 S 8.53 4.45 0.00 3.86 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.34 0.00 2.08 2.17 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.27 0.00 27 G 8.98 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.34 4.02 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 29 K 8.48 4.46 0.00 1.93 2.03 0.00 1.93 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.59 1.40 7.81 30 F 9.29 3.49 0.00 2.26 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.90 3.79 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 32 D 7.53 4.59 0.00 2.68 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 6.74 3.79 0.00 0.82 0.86 -1.45 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.33 0.00 2.33 1.95 0.00 3.44 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 35 D 8.67 4.31 0.00 2.63 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.92 4.61 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 W 8.08 4.14 0.00 3.19 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.02 4.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.67 0.00 0.00 39 C 8.52 3.69 0.00 3.16 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 3.96 0.00 1.77 1.84 0.00 2.52 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.78 0.00 41 L 7.48 4.20 0.00 1.54 1.65 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.78 4.62 0.00 3.04 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.24 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.58 4.13 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.92 0.00 2.31 2.24 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.03 0.00 46 K 8.81 4.21 0.00 1.81 1.86 0.00 1.35 0.00 0.00 1.64 0.00 0.00 2.29 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 1.45 7.81 47 S 8.21 4.40 0.00 4.07 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.70 4.49 0.00 2.27 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 49 F 8.52 5.23 0.00 3.39 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.82 5.03 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 51 R 8.43 3.60 0.00 0.67 1.34 0.00 2.87 0.00 0.00 2.95 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.50 0.00 52 I 8.19 4.32 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.70 0.84 0.00 0.00 53 E 7.50 4.09 0.00 1.80 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00