NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4046 8.1776 115.2967 58.4397 64.2819 174.6701 2 H 4.5292 8.3559 113.7750 54.4052 28.7592 174.0748 3 T 4.2177 7.6785 110.6572 62.5116 70.6372 176.0182 4 D 4.9083 7.4633 121.5203 54.4231 41.1049 175.5365 5 I 4.3085 7.2686 110.7472 58.9855 38.8707 175.0908 6 K 4.6197 8.1896 121.4168 54.7904 35.3049 175.9345 7 V 3.8906 8.3242 121.8975 61.6109 32.2310 174.1156 8 P 4.3191 0.0000 0.0000 62.2324 31.8064 175.4124 9 D 4.3683 8.3600 119.3989 54.7082 41.3678 176.4580 10 F 4.7362 8.7545 124.5045 57.2829 39.5644 177.3599 11 S 4.2659 8.0602 114.7030 61.6901 62.4687 176.1810 12 D 4.3857 7.9865 121.3889 57.5009 40.7798 177.6609 13 Y 4.3697 8.0389 116.0120 60.7432 38.3746 175.9909 14 R 4.4594 8.1189 115.4319 54.8885 32.1242 174.4298 15 R 4.6848 7.8547 112.7460 54.0686 32.2863 173.2226 16 P 3.6874 0.0000 0.0000 65.1013 32.2677 178.4056 17 E 3.8817 7.9067 121.7249 59.5593 30.3139 179.7406 18 V 4.4466 7.4192 109.7797 60.7437 31.8331 176.0179 19 L 4.3560 7.8558 120.4497 55.2666 43.2498 176.0630 20 D 4.5521 7.8937 117.8100 53.9829 39.6718 175.9674 21 S 4.2057 8.4279 122.6228 61.1042 63.0502 176.0850 22 T 4.6324 7.8401 108.3956 60.6813 69.0289 173.5525 23 K 4.5904 8.5160 121.3609 55.2442 35.6104 175.3582 24 S 4.2130 8.5513 117.0218 59.1929 62.7370 174.2821 25 S 5.2120 8.2852 118.4838 57.7490 64.9568 176.6911 26 K 4.0112 8.2006 119.3360 59.1668 31.8836 177.4620 27 E 4.4809 7.8449 115.6368 56.5939 29.2507 176.8868 28 S 4.5967 7.5051 114.4287 60.5097 64.6516 176.1226 29 S 4.3096 8.5085 116.9912 60.1458 62.1286 176.3091 30 E 3.9752 7.9283 122.1634 59.4309 29.2573 178.9041 31 A 3.9894 7.9191 120.1641 54.5180 19.0628 179.2169 32 R 3.9061 8.0894 114.2983 59.9731 29.0944 178.9886 33 K 3.9968 8.1787 118.4163 58.3131 32.0294 179.7225 34 G 3.6687 7.5997 106.2967 47.6222 0.0000 175.5183 35 F 4.2438 8.6072 122.4971 61.2322 39.6956 176.9793 36 S 3.8892 7.9212 114.1623 61.8725 62.6572 176.2088 37 Y 4.4377 7.8313 119.2709 61.1151 37.5982 178.8467 38 L 3.9247 8.2708 121.6712 58.0891 42.1311 178.9315 39 V 3.4527 7.5568 118.1391 66.4246 31.3126 178.0910 40 T 3.8202 7.7590 114.3262 66.7604 68.4319 176.3848 41 A 4.0221 8.5347 122.8678 55.3395 18.3184 179.9366 42 T 3.8274 7.9718 114.4516 67.0210 68.4531 176.9306 43 T 3.8409 8.0519 117.7164 67.0721 68.5022 176.4794 44 T 3.8643 8.0160 117.4027 67.0835 68.5160 176.3458 45 V 3.6821 8.0478 119.9757 65.9830 31.6341 177.9821 46 G 3.8331 8.3560 105.1193 48.0812 0.0000 175.4683 47 V 3.6083 8.2277 120.4961 65.5340 31.5366 177.6804 48 A 3.9884 8.1682 120.6811 55.6723 18.2343 178.4966 49 Y 4.1298 7.9338 116.9378 60.9997 38.8047 178.0250 50 A 3.5823 7.9718 120.8220 55.2448 18.3893 179.3129 51 A 3.8276 8.5707 119.0107 55.2121 18.5099 179.2768 52 K 3.7346 8.4398 118.2810 60.1137 32.1596 178.4401 53 N 4.2232 7.8364 116.0280 56.1818 38.3283 177.3779 54 V 3.2999 7.5640 119.6045 66.0702 31.5825 178.2494 55 V 3.5966 7.9076 117.8367 66.1236 31.3894 178.0272 56 S 4.1390 8.0996 114.8591 61.8719 62.7130 176.8028 57 Q 4.0057 8.6149 120.8808 59.0389 28.2258 178.8296 58 F 4.7038 7.6775 117.3945 59.7895 39.1768 177.2149 59 V 3.9943 7.7782 117.3108 64.3886 31.6077 177.1385 60 S 4.9790 8.2694 113.5718 59.1200 62.1762 175.6663 61 S 4.2563 7.8982 115.5370 61.2139 62.7303 175.2219 62 M 4.3967 7.4735 120.6713 56.9692 33.1713 177.3174 63 S 4.2885 7.8751 114.5847 59.0278 62.9098 174.1190 64 A 4.6028 7.1463 127.0847 50.1823 20.6568 176.3667 65 S 4.1751 8.1459 116.7081 59.1127 64.1692 174.4109 66 A 3.9852 8.8000 130.1822 55.9749 17.7844 178.4015 67 D 4.2122 8.3231 113.9261 59.0328 41.3143 178.5877 68 V 3.5652 7.7889 117.3627 65.7315 30.1846 177.7358 69 L 3.8786 8.4552 119.8802 58.2360 41.7011 179.2193 70 A 3.9860 8.2654 120.3077 55.7329 18.4797 179.2967 71 M 4.1087 8.4402 116.7772 58.0601 32.2290 176.6693 72 S 3.8541 6.9034 110.7773 57.8726 63.4295 173.6492 73 K 3.8532 8.8855 124.2569 57.5256 31.0769 175.6275 74 I 4.4344 7.5325 119.3859 59.7387 38.2002 175.0957 75 E 4.2076 8.3583 124.5389 56.1386 29.8160 175.1398 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 1 S 8.18 4.40 0.00 3.88 3.95 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 2 H 8.36 4.53 0.00 3.41 3.38 0.00 5.56 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 T 7.68 4.22 4.18 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 1.04 0.00 0.00 4 D 7.46 4.91 0.00 2.66 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.27 4.31 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.59 0.93 0.00 0.00 6 K 8.19 4.62 0.00 1.81 1.78 0.00 1.46 0.00 0.00 1.63 0.00 0.00 3.25 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.44 7.81 7 V 8.32 3.89 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 1.04 0.00 0.00 0.98 0.00 0.00 8 P 0.00 4.32 0.00 1.88 1.93 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.02 0.00 9 D 8.36 4.37 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.75 4.74 0.00 3.18 3.08 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 11 S 8.06 4.27 0.00 4.00 4.07 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 0.00 0.00 0.00 0.00 12 D 7.99 4.39 0.00 2.30 2.35 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.04 4.37 0.00 3.36 3.13 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 0.00 0.00 0.00 0.00 14 R 8.12 4.46 0.00 1.95 2.03 0.00 3.18 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.67 0.00 15 R 7.85 4.68 0.00 1.92 2.04 0.00 3.00 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 16 P 0.00 3.69 0.00 2.08 1.93 0.00 3.87 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 17 E 7.91 3.88 0.00 1.93 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 2.27 2.34 0.00 18 V 7.42 4.45 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 0.66 0.00 0.00 0.93 0.00 0.00 19 L 7.86 4.36 0.00 1.97 1.67 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.89 4.55 0.00 2.79 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.43 4.21 0.00 3.90 3.97 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 22 T 7.84 4.63 4.24 0.00 0.00 0.00 0.00 0.00 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 23 K 8.52 4.59 0.00 1.71 1.69 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.41 7.81 24 S 8.55 4.21 0.00 3.86 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.29 5.21 0.00 3.88 3.83 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 0.00 0.00 0.00 0.00 26 K 8.20 4.01 0.00 1.75 1.88 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.46 7.81 27 E 7.84 4.48 0.00 1.92 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 2.29 2.41 0.00 28 S 7.51 4.60 0.00 3.92 3.84 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 29 S 8.51 4.31 0.00 3.88 3.91 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 0.00 0.00 0.00 30 E 7.93 3.98 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 31 A 7.92 3.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.09 3.91 0.00 2.04 2.23 0.00 2.96 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 33 K 8.18 4.00 0.00 1.98 1.78 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.72 7.81 34 G 7.60 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.61 4.24 0.00 2.90 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.92 3.89 0.00 3.60 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.83 4.44 0.00 3.09 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 3.92 0.00 1.90 1.72 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.56 3.45 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 0.94 0.00 0.00 0.53 0.00 0.00 40 T 7.76 3.82 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 41 A 8.53 4.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.97 3.83 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 43 T 8.05 3.84 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 44 T 8.02 3.86 4.24 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 45 V 8.05 3.68 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 1.01 0.00 0.00 1.02 0.00 0.00 46 G 8.36 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.23 3.61 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.94 0.00 0.00 48 A 8.17 3.99 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 7.93 4.13 0.00 2.96 3.24 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.97 3.58 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.57 3.83 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.44 3.73 0.00 1.94 2.00 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.69 7.81 53 N 7.84 4.22 0.00 2.61 2.70 0.00 0.00 6.74 7.67 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 54 V 7.56 3.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.78 0.00 0.00 55 V 7.91 3.60 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 1.02 0.00 0.00 0.97 0.00 0.00 56 S 8.10 4.14 0.00 4.13 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.61 4.01 0.00 1.87 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 58 F 7.68 4.70 0.00 2.88 3.07 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 0.00 0.00 0.00 0.00 59 V 7.78 3.99 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.02 0.00 0.00 60 S 8.27 4.98 0.00 3.96 3.84 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 61 S 7.90 4.26 0.00 4.12 4.25 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 62 M 7.47 4.40 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.54 0.00 63 S 7.88 4.29 0.00 3.88 3.88 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 0.00 0.00 0.00 64 A 7.15 4.60 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 65 S 8.15 4.18 0.00 3.90 3.75 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 66 A 8.80 3.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.32 4.21 0.00 2.66 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.79 3.57 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 0.98 0.00 0.00 0.93 0.00 0.00 69 L 8.46 3.88 0.00 1.99 1.76 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.27 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 M 8.44 4.11 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 72 S 6.90 3.85 0.00 3.89 3.99 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 73 K 8.89 3.85 0.00 2.06 1.95 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.44 7.81 74 I 7.53 4.43 2.03 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 1.31 0.94 0.91 0.00 0.00 75 E 8.36 4.21 0.00 1.84 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00