NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9288 8.3549 109.7364 45.2752 0.0000 174.7399 3 K 3.8686 7.8593 118.6241 55.0328 32.8754 170.8636 4 V 4.4720 8.6621 122.8803 61.3271 35.6342 173.5114 5 Y 5.0159 8.7808 123.8628 56.1578 40.9601 174.6668 6 K 4.5518 8.0185 121.7898 54.4815 35.6426 174.7262 7 K 5.0199 8.4884 124.1096 54.6789 34.5500 175.8428 8 V 4.5015 8.7724 117.9166 59.5106 35.0676 174.4354 9 E 4.9728 8.7353 124.8411 55.0449 30.4668 174.9143 10 L 4.8855 9.0026 127.2905 52.8080 45.7626 175.9809 11 V 4.7399 8.3166 120.9820 61.1787 33.4122 175.2346 12 G 4.1371 8.8150 116.3365 45.9322 0.0000 171.9911 13 T 5.8045 8.0554 111.1467 59.0506 72.0892 172.8781 14 S 4.6815 8.3632 115.4693 57.8945 65.4556 175.0288 15 E 4.5299 8.9033 122.9373 57.0058 30.0965 177.9174 16 E 4.1685 8.4313 118.8471 57.2010 30.2616 176.5989 17 G 3.3796 7.0938 104.0222 44.3283 0.0000 173.4161 18 L 3.7677 7.4390 118.1086 57.8278 41.5097 179.1298 19 E 3.8909 8.1261 117.7952 59.7002 29.4033 179.3838 20 A 3.9244 7.8762 119.6961 54.7480 18.5738 179.4606 21 A 3.8970 7.7522 119.1579 55.3178 18.4741 179.7767 22 I 3.4761 7.6259 118.2341 64.7979 37.1738 178.5546 23 Q 3.8632 8.1838 118.6207 58.9746 28.5996 179.1816 24 A 3.9229 8.0142 121.4329 55.0026 18.3860 179.5044 25 A 3.8876 7.7397 118.7836 55.3843 18.4087 179.9190 26 L 3.8248 7.9745 117.3165 57.7876 41.4176 179.5874 27 A 3.9533 8.1097 120.3411 55.0804 18.6938 179.4025 28 R 3.9261 7.9311 116.7232 59.2462 30.1579 178.3295 29 A 3.8809 8.0562 120.7940 55.3838 18.1604 179.6078 30 R 3.7925 8.0380 115.8293 59.3470 30.0606 178.5367 31 K 4.1552 7.6600 117.7460 58.6147 32.1158 177.7108 32 T 4.5082 7.6842 105.4243 60.5220 70.4965 173.5235 33 L 4.5176 7.7286 121.8270 52.7750 43.7724 175.8473 34 R 4.5236 7.8787 120.0274 55.7493 33.1553 174.9689 35 H 4.1925 8.5793 114.5132 56.7851 25.8415 175.1658 36 L 4.4633 8.1703 118.9345 55.6104 42.1183 175.7979 37 D 5.2086 9.2608 122.7046 55.2424 42.9111 176.3468 38 W 5.5506 7.8762 113.4037 55.0763 31.9560 172.9978 39 F 5.3794 8.3751 114.2569 55.2353 40.9018 173.6763 40 E 4.7771 9.2602 118.9682 54.6591 33.3333 174.9300 41 V 4.4638 8.6069 123.9522 62.3634 32.0494 175.0827 42 K 4.5220 9.3198 127.6122 57.8235 33.7457 176.7824 43 E 4.8395 7.9794 117.1217 54.6615 34.3785 174.4100 44 I 5.0375 8.4574 122.4554 59.8336 39.9074 174.6258 45 A 4.6774 8.8612 128.4027 51.8567 23.0914 174.0727 46 G 4.2750 8.1044 103.2577 46.9085 0.0000 172.8810 47 T 4.7465 7.9762 110.0071 60.0512 71.5921 173.6333 48 I 4.7992 8.2486 123.0419 59.8041 39.6225 175.4988 49 G 4.3085 8.8663 116.7645 44.5092 0.0000 173.1908 50 E 3.9029 8.9909 117.7966 58.8439 29.7038 177.4966 51 A 4.6173 7.9389 119.1731 51.8785 20.5004 176.2096 52 G 3.9773 7.4886 106.0845 44.5862 0.0000 176.9371 53 V 3.7583 8.2511 126.2239 63.0538 31.7402 175.0786 54 K 4.1413 8.8470 129.3242 58.6311 33.4085 176.0470 55 E 4.6326 7.5897 120.2074 54.5880 33.0582 173.5871 56 Y 4.6943 9.1067 125.6759 57.8466 39.6648 174.6118 57 Q 5.0587 9.3228 122.5086 54.1683 32.5650 174.4384 58 V 4.6870 8.8490 125.0272 60.9571 34.3063 174.4885 59 V 4.6031 8.6356 129.4157 62.2677 32.5532 174.7793 60 L 5.3425 9.2897 127.7589 54.1474 44.4941 174.9171 61 E 4.9966 9.1777 120.4412 55.0513 31.6701 175.0463 62 V 4.4802 8.9110 125.0757 61.0179 33.9780 174.3333 63 G 3.2726 8.1167 115.8307 44.0565 0.0000 172.3085 64 F 5.6346 8.3899 118.0509 54.9853 41.9536 173.5158 65 R 4.2313 8.8071 121.6881 56.0569 30.5805 175.9969 66 L 4.3381 8.4351 127.5616 54.4551 42.2459 177.2146 67 E 4.2560 8.8467 123.2472 56.4962 30.5150 176.5225 68 E 4.2917 8.3008 119.5735 57.0603 29.4982 174.7347 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 G 8.35 3.93 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 3 K 7.86 3.87 0.00 1.80 1.38 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.47 7.81 4 V 8.66 4.47 1.99 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 1.06 0.00 0.00 0.90 0.00 0.00 5 Y 8.78 5.02 0.00 3.01 3.01 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 6 K 8.02 4.55 0.00 1.52 0.74 0.00 1.55 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.18 1.27 7.81 7 K 8.49 5.02 0.00 1.62 1.63 0.00 2.00 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.06 1.37 7.81 8 V 8.77 4.50 2.13 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 0.88 0.00 0.00 1.01 0.00 0.00 9 E 8.74 4.97 0.00 1.98 1.87 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 2.23 2.34 0.00 10 L 9.00 4.89 0.00 1.55 1.48 0.87 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.32 4.74 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 0.85 0.00 0.00 0.94 0.00 0.00 12 G 8.82 4.14 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 13 T 8.06 5.80 4.38 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 1.22 0.00 0.00 14 S 8.36 4.68 0.00 3.90 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 15 E 8.90 4.53 0.00 2.03 2.01 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 2.46 2.30 0.00 16 E 8.43 4.17 0.00 1.97 1.99 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 2.34 2.27 0.00 17 G 7.09 3.38 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 18 L 7.44 3.77 0.00 1.55 1.63 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.13 3.89 0.00 1.99 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 2.39 2.44 0.00 20 A 7.88 3.92 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 21 A 7.75 3.90 1.46 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 22 I 7.63 3.48 1.84 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 1.40 0.59 0.30 0.00 0.00 23 Q 8.18 3.86 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 24 A 8.01 3.92 1.38 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 25 A 7.74 3.89 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 26 L 7.97 3.82 0.00 1.72 1.64 0.58 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.11 3.95 1.32 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 0.00 0.00 0.00 28 R 7.93 3.93 0.00 1.94 2.03 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.06 3.88 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 30 R 8.04 3.79 0.00 1.87 2.13 0.00 3.25 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 31 K 7.66 4.16 0.00 1.98 1.81 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.41 7.81 32 T 7.68 4.51 4.17 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 1.17 0.00 0.00 33 L 7.73 4.52 0.00 1.42 0.92 0.46 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.88 4.52 0.00 1.66 1.49 0.00 3.25 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 35 H 8.58 4.19 0.00 3.66 3.53 0.00 5.62 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.17 4.46 0.00 1.67 1.67 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.26 5.21 0.00 2.98 3.09 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 0.00 0.00 0.00 38 W 7.88 5.55 0.00 3.25 3.18 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 39 F 8.38 5.38 0.00 3.03 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 40 E 9.26 4.78 0.00 1.98 1.91 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 2.36 2.50 0.00 41 V 8.61 4.46 2.18 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 0.85 0.00 0.00 1.13 0.00 0.00 42 K 9.32 4.52 0.00 1.75 1.86 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.57 7.81 43 E 7.98 4.84 0.00 1.88 1.79 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 2.31 2.35 0.00 44 I 8.46 5.04 1.92 0.00 0.00 0.89 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 0.66 0.99 0.00 0.00 45 A 8.86 4.68 1.21 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 46 G 8.10 4.27 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 47 T 7.98 4.75 4.20 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 1.18 0.00 0.00 48 I 8.25 4.80 1.84 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 1.22 0.62 0.88 0.00 0.00 49 G 8.87 4.31 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 0.00 50 E 8.99 3.90 0.00 1.96 2.02 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 2.30 2.24 0.00 51 A 7.94 4.62 1.25 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 52 G 7.49 3.98 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 53 V 8.25 3.76 1.83 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 -0.44 0.00 0.00 0.69 0.00 0.00 54 K 8.85 4.14 0.00 1.84 1.69 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.35 7.81 55 E 7.59 4.63 0.00 2.11 1.67 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 2.27 0.00 56 Y 9.11 4.69 0.00 3.03 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 9.32 5.06 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 58 V 8.85 4.69 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 1.01 0.00 0.00 0.96 0.00 0.00 59 V 8.64 4.60 2.18 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 0.84 0.00 0.00 0.99 0.00 0.00 60 L 9.29 5.34 0.00 1.94 1.76 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.18 5.00 0.00 1.90 1.88 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 2.28 2.42 0.00 62 V 8.91 4.48 2.07 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 1.01 0.00 0.00 0.91 0.00 0.00 63 G 8.12 3.27 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 64 F 8.39 5.63 0.00 3.38 3.04 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 0.00 0.00 0.00 65 R 8.81 4.23 0.00 1.96 1.94 0.00 3.12 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.19 0.00 66 L 8.44 4.34 0.00 1.56 1.55 0.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.85 4.26 0.00 2.00 1.93 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 2.42 0.00 68 E 8.30 4.29 0.00 1.85 1.72 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 2.16 2.25 0.00