NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3948 8.2644 123.5912 52.3502 18.7021 175.4273 2 D 4.7160 8.4228 120.4152 52.9308 43.5843 174.3350 3 P 4.9070 0.0000 0.0000 62.1792 32.8525 175.0516 4 S 4.3592 8.2001 115.0141 56.0827 65.9287 174.4610 5 E 2.0000 7.1289 118.1486 58.3334 28.9413 178.7609 6 H 4.4078 7.4296 116.3093 58.1827 28.6455 176.8109 7 C 4.4373 7.8999 118.8260 59.8418 39.7830 175.7860 8 S 4.2155 7.7710 115.5020 60.8481 62.3104 174.7168 9 H 5.0012 7.5283 116.2422 55.4364 29.9653 174.1966 10 M 4.1958 8.2295 122.1280 57.8082 32.2351 176.5841 11 I 4.3386 7.7767 119.2774 59.5270 38.8343 175.0208 12 G 4.3370 8.5274 113.1509 43.1288 0.0000 173.3996 13 N 4.5987 8.8349 117.2919 56.2190 38.4022 177.9443 14 G 3.4453 8.0615 106.6124 47.8325 0.0000 175.4197 15 H 4.1725 8.5202 119.0265 58.6338 28.6196 177.8886 16 L 3.9535 7.8071 120.3320 57.5491 41.5796 178.9450 17 K 3.8296 8.6656 120.1282 59.8535 31.6157 178.8733 18 V 3.5298 7.7870 118.1527 65.8528 31.3363 177.7043 19 L 3.9812 7.8772 120.2423 57.7683 41.8271 178.5869 20 Q 3.9571 8.7371 120.2290 59.3829 28.7968 178.3799 21 Q 3.6674 8.0332 117.8663 58.5550 28.8997 178.4943 22 L 4.3231 7.3426 122.2118 57.8967 42.2361 178.6031 23 I 3.6909 7.8852 119.6983 64.5613 36.9549 177.8221 24 D 4.4781 8.7997 119.0801 56.0897 40.9632 177.4945 25 S 4.6811 7.7777 112.3760 57.8108 64.0299 174.1099 26 Q 4.3826 8.2588 121.4122 55.0650 29.5091 175.2205 27 M 4.1972 8.4657 122.1576 54.8792 32.8932 175.8158 28 E 4.0444 8.7675 125.7276 57.2525 30.1750 176.3975 29 T 4.6035 8.0605 116.5205 60.5663 70.9338 174.4402 30 S 4.5192 8.5431 123.9518 57.8384 61.1019 172.3099 31 C 5.0482 7.1567 121.1765 60.6134 31.7711 173.8547 32 Q 4.9924 7.9090 121.8447 56.8502 31.5838 174.2729 33 I 4.8198 8.9748 121.0976 59.0340 41.2018 174.3476 34 A 5.0494 8.3991 124.8293 51.0853 20.5351 176.3805 35 F 4.7257 7.9252 112.5955 56.3722 41.5990 172.6889 36 E 5.0651 9.0514 119.8554 55.9800 31.0584 175.2436 37 F 4.8811 9.1874 124.5259 57.7413 43.4914 172.4267 38 V 5.0735 7.7647 118.9265 59.6961 33.0386 175.2063 39 D 5.2787 8.6370 123.0750 51.6962 40.4321 177.3590 40 Q 5.0151 8.9296 121.7018 58.0340 28.7710 177.9015 41 E 4.1125 8.2666 117.2402 58.0668 29.8457 176.9266 42 Q 4.4142 8.3215 119.0708 56.0407 31.0510 174.8736 43 L 4.7064 7.8017 119.8105 53.5118 43.7651 175.6884 44 D 4.9095 8.6549 124.7903 52.9954 41.0799 176.6916 45 D 4.4509 8.0162 120.8747 53.6232 42.4426 174.2701 46 P 4.3106 0.0000 0.0000 65.9008 31.5511 179.0389 47 V 3.8517 7.8476 116.4047 66.3755 31.6060 178.6440 48 C 4.5351 8.7189 116.1874 59.7056 39.1649 175.5055 49 Y 4.0286 8.3157 121.5935 60.7753 38.5317 178.0612 50 L 4.2147 8.0899 120.0714 57.8967 41.5413 179.7227 51 K 4.2272 8.2038 117.5473 59.2385 32.0457 178.9170 52 K 3.8817 7.9856 119.0041 58.8313 32.4359 178.4371 53 A 3.4551 7.6728 121.1200 54.0530 18.1722 178.8944 54 F 3.4671 7.5666 119.4056 61.9814 39.2487 177.7419 55 F 4.0946 7.4125 116.2479 60.1743 38.7452 177.6951 56 L 4.0137 7.5643 118.4791 57.6863 41.4332 179.5047 57 V 3.5021 7.9692 118.6281 65.7858 31.4060 178.0843 58 Q 3.8787 7.6775 117.8131 59.0225 28.5585 178.5662 59 D 4.2668 8.3684 120.0917 57.3764 40.8168 178.8802 60 I 3.6167 7.7787 120.1736 64.5678 36.7959 178.4779 61 I 3.7313 7.7816 120.4925 64.3613 36.6673 178.1124 62 D 4.2088 7.7778 117.9130 56.8909 41.3419 177.3842 63 E 4.4146 8.4759 114.9705 56.9433 30.3656 176.4067 64 T 4.4201 8.1930 115.2699 64.1277 71.2273 174.8084 65 M 4.1886 7.2178 122.4889 53.7145 30.3978 174.4315 66 R 4.3782 7.2701 118.1529 54.5696 31.7964 176.1978 67 F 4.8806 8.3226 120.2768 55.0058 43.3610 174.6432 68 K 4.2219 8.5285 121.4502 56.0007 32.5379 176.7592 69 D 4.5169 8.6481 122.6465 56.4048 41.1736 176.5547 70 N 4.3104 8.8491 117.7880 54.5637 36.4076 175.1462 71 T 4.2749 7.5480 115.4908 62.5084 70.7543 174.0945 72 P 4.2245 0.0000 0.0000 65.5908 31.2397 178.8321 73 N 4.0367 7.8785 114.8568 55.5606 38.4477 177.1132 74 A 4.0522 7.5799 121.9098 55.0783 18.4588 179.2357 75 N 4.1869 8.2436 114.7077 56.4331 38.6898 177.2101 76 A 3.9276 7.6976 121.9371 55.8771 18.3708 179.8976 77 T 3.8720 8.1790 114.2561 66.6249 68.4660 176.5561 78 E 3.9689 7.9902 121.0183 59.0565 29.7642 178.7491 79 R 4.4147 8.2371 120.5477 58.5733 30.0121 178.4383 80 L 3.9856 7.8273 119.0931 57.3549 41.6373 178.8247 81 Q 4.2187 8.2168 121.0174 58.6220 28.8127 178.3354 82 E 3.9844 8.3083 119.5601 59.3658 29.4832 178.9977 83 L 4.0430 7.7683 120.1218 58.2772 42.0166 179.2181 84 S 4.5514 8.7661 114.4204 61.2400 62.8883 176.4147 85 N 4.4400 7.9974 120.5115 56.4656 38.3041 176.9465 86 N 4.4378 8.4498 117.9512 56.4786 38.6376 177.2089 87 L 4.2569 8.5091 119.8064 57.0870 41.5400 178.8246 88 N 4.8276 8.6155 117.6118 56.5826 39.0299 176.1198 89 S 4.6243 8.1431 115.1209 59.7892 62.7535 174.2991 90 C 4.9902 8.4602 118.4702 56.4217 41.1134 173.3295 91 F 4.9782 8.0449 119.6143 55.6352 41.2063 174.8757 92 T 4.5558 8.6458 115.4942 60.3687 70.1243 174.9077 93 K 4.3242 8.9577 125.0939 57.6341 33.5044 175.6180 94 D 5.2903 8.4919 120.3167 52.7278 44.1193 174.0997 95 Y 4.7757 8.0314 119.9332 55.9744 40.8469 175.5143 96 E 4.3754 7.3160 120.6877 55.6509 31.7091 175.9168 97 E 3.8818 8.7096 125.3604 59.3190 30.2067 178.1076 98 Q 4.2763 7.6151 120.2222 54.9957 26.6433 175.7983 99 N 4.1359 8.2961 120.0452 56.5473 39.4363 176.0206 100 K 4.1955 7.9333 114.0988 56.5353 31.9504 176.3264 101 A 3.9977 7.5221 123.2341 53.6303 18.8207 177.7670 102 C 3.9438 8.9731 117.7085 57.1734 37.8855 172.1818 103 V 4.8461 7.4319 120.1302 61.1712 32.6942 174.9321 104 R 4.7005 9.2002 128.1609 54.8252 33.5342 174.2090 105 T 4.8391 8.2079 119.0210 62.4989 69.9623 174.4671 106 F 4.4846 9.2115 124.8997 56.0272 42.2979 174.8914 107 H 4.8678 8.5629 117.0388 54.4341 31.2520 172.1268 108 E 4.8790 8.9392 122.0714 54.7965 34.9388 174.7579 109 T 4.4663 9.4917 115.0892 61.0745 68.3191 173.4493 110 P 4.2870 0.0000 0.0000 66.1893 31.2263 178.8377 111 L 4.1224 7.8773 116.7939 57.4135 41.6423 179.2995 112 Q 4.0155 8.6002 118.8012 58.5359 28.7178 178.0356 113 L 3.4224 7.7598 120.8771 58.1316 42.0282 178.9879 114 L 3.9772 7.8158 118.6903 57.5515 41.4370 179.1933 115 E 3.9541 7.8745 119.2134 59.0057 29.4820 178.9270 116 K 3.9293 7.9524 118.5427 59.5857 32.1789 179.2997 117 I 3.7226 7.5236 119.9669 64.2974 37.0292 178.4341 118 K 4.1854 8.4608 120.8261 59.7238 32.0498 178.6825 119 N 4.4791 8.9175 117.1793 56.0597 38.3492 177.0376 120 F 4.1374 8.6342 122.3885 61.5913 39.4340 177.2435 121 F 4.0805 8.1838 116.9480 60.5304 38.7103 177.5790 122 N 4.4151 8.4349 116.1885 56.4781 38.4064 177.4078 123 E 4.0590 8.7014 120.4251 59.5476 29.5860 179.5133 124 T 4.0482 8.1019 116.3438 66.3443 68.4388 176.5871 125 K 3.9742 8.3493 121.8192 59.6942 32.1377 178.5442 126 N 4.3347 8.1095 116.6155 56.3714 38.4037 177.4767 127 L 3.8898 7.9704 120.2971 57.7940 41.4892 179.6243 128 L 4.1302 7.7830 117.6940 57.6631 41.5485 179.1252 129 E 4.1381 7.9674 118.1363 58.9750 29.3945 179.2672 130 K 4.1774 7.5307 118.2171 57.6570 32.6914 177.4039 131 D 4.3162 7.8356 116.6016 51.8585 42.2606 176.6086 132 W 4.2404 8.6491 121.6250 58.9913 28.5705 176.6573 133 N 4.4306 7.3311 115.3428 53.9807 38.4569 174.8981 134 I 3.6014 6.7544 118.6592 62.2102 38.5716 175.8614 135 F 4.2005 8.4869 121.8219 58.1536 36.0821 175.8193 136 T 4.4517 7.3582 112.9193 60.6011 67.3759 174.4107 137 K 3.9714 7.6529 121.1484 56.4971 32.7767 176.0472 138 N 4.5150 8.5475 124.0602 53.7529 38.5101 175.2175 139 C 4.5084 9.3094 123.8639 56.7161 40.4147 175.3894 140 N 4.2943 8.2611 120.4059 56.9228 38.0468 176.8555 141 N 4.3608 8.0727 116.8795 56.5671 38.4260 177.5596 142 S 4.1465 7.7063 115.1004 61.6426 63.3435 176.2905 143 F 4.7062 7.8806 119.8776 60.5339 38.4477 177.6563 144 A 4.1563 8.0913 119.5282 54.9115 18.1569 179.5242 145 K 4.0888 7.7368 116.8298 58.5522 32.5139 177.4330 146 C 4.1086 7.4570 115.4103 57.7428 40.6504 173.0632 147 S 4.6573 9.0592 117.4047 56.7618 65.4431 173.7417 148 S 4.0695 8.6207 116.3422 58.7943 63.0564 171.2887 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 A 8.26 4.39 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 2 D 8.42 4.72 0.00 2.76 2.73 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 0.00 0.00 0.00 3 P 0.00 4.91 0.00 2.51 2.16 0.00 3.39 0.00 0.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.02 0.00 4 S 8.20 4.36 0.00 3.69 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 5 E 7.13 2.00 0.00 1.52 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 2.04 1.47 0.00 6 H 7.43 4.41 0.00 3.07 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 C 7.90 4.44 0.00 3.12 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.77 4.22 0.00 3.77 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 H 7.53 5.00 0.00 3.15 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 M 8.23 4.20 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 11 I 7.78 4.34 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.84 1.00 0.00 0.00 12 G 8.53 4.34 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 0.00 13 N 8.83 4.60 0.00 2.75 2.91 0.00 0.00 6.72 7.95 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 14 G 8.06 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.52 4.17 0.00 3.34 3.16 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.81 3.95 0.00 1.87 1.74 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.67 3.83 0.00 1.84 1.95 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.45 7.81 18 V 7.79 3.53 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 0.91 0.00 0.00 0.87 0.00 0.00 19 L 7.88 3.98 0.00 1.86 1.87 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.74 3.96 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 21 Q 8.03 3.67 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 22 L 7.34 4.32 0.00 1.59 1.92 1.09 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.89 3.69 2.05 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 1.55 0.38 0.93 0.00 0.00 24 D 8.80 4.48 0.00 2.70 2.74 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 25 S 7.78 4.68 0.00 3.96 4.13 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 26 Q 8.26 4.38 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.78 2.52 0.00 27 M 8.47 4.20 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 28 E 8.77 4.04 0.00 2.01 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 2.33 2.33 0.00 29 T 8.06 4.60 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 1.25 0.00 0.00 30 S 8.54 4.52 0.00 3.88 3.79 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 0.00 0.00 0.00 31 C 7.16 5.05 0.00 2.90 2.85 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 32 Q 7.91 4.99 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.10 2.28 0.00 33 I 8.97 4.82 1.96 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 1.43 0.81 0.94 0.00 0.00 34 A 8.40 5.05 1.23 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 0.00 0.00 35 F 7.93 4.73 0.00 3.11 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 36 E 9.05 5.07 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 2.31 2.27 0.00 37 F 9.19 4.88 0.00 2.87 2.32 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 38 V 7.76 5.07 1.78 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 -0.05 0.00 0.00 0.96 0.00 0.00 39 D 8.64 5.28 0.00 2.95 2.87 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 0.00 0.00 0.00 40 Q 8.93 5.02 0.00 2.33 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.97 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 41 E 8.27 4.11 0.00 2.02 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 2.37 2.26 0.00 42 Q 8.32 4.41 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 43 L 7.80 4.71 0.00 1.91 1.67 1.19 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.65 4.91 0.00 2.81 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 45 D 8.02 4.45 0.00 2.77 2.65 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 0.00 0.00 0.00 0.00 46 P 0.00 4.31 0.00 2.23 2.12 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 47 V 7.85 3.85 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 1.18 0.00 0.00 0.89 0.00 0.00 48 C 8.72 4.54 0.00 3.10 3.14 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 49 Y 8.32 4.03 0.00 3.22 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.09 4.21 0.00 2.21 1.87 1.33 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.20 4.23 0.00 2.12 2.09 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.22 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.68 1.96 7.81 52 K 7.99 3.88 0.00 1.62 1.89 0.00 1.34 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.14 7.81 53 A 7.67 3.46 0.79 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 0.00 0.00 0.00 0.00 0.00 54 F 7.57 3.47 0.00 2.38 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 7.41 4.09 0.00 2.78 2.73 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 0.00 0.00 0.00 56 L 7.56 4.01 0.00 1.57 1.73 0.61 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.97 3.50 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.55 0.00 0.00 58 Q 7.68 3.88 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.21 2.04 0.00 59 D 8.37 4.27 0.00 2.80 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 60 I 7.78 3.62 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.69 0.70 0.00 0.00 61 I 7.78 3.73 2.04 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.07 1.01 0.00 0.00 62 D 7.78 4.21 0.00 2.88 2.78 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 63 E 8.48 4.41 0.00 2.08 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 2.45 2.32 0.00 64 T 8.19 4.42 4.33 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 1.11 0.00 0.00 65 M 7.22 4.19 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 66 R 7.27 4.38 0.00 1.60 1.76 0.00 3.08 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 67 F 8.32 4.88 0.00 2.98 2.93 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 68 K 8.53 4.22 0.00 1.88 1.76 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.49 7.81 69 D 8.65 4.52 0.00 2.65 2.65 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 0.00 0.00 0.00 0.00 70 N 8.85 4.31 0.00 2.87 2.94 0.00 0.00 7.03 7.54 0.00 0.00 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 T 7.55 4.27 4.33 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 1.21 0.00 0.00 72 P 0.00 4.22 0.00 2.08 2.04 0.00 3.55 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 73 N 7.88 4.04 0.00 1.91 1.42 0.00 0.00 7.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.58 4.05 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.24 4.19 0.00 2.84 2.83 0.00 0.00 6.89 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.70 3.93 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 77 T 8.18 3.87 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 1.40 0.00 0.00 78 E 7.99 3.97 0.00 2.22 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 2.31 2.32 0.00 79 R 8.24 4.41 0.00 2.13 1.90 0.00 3.22 0.00 0.00 3.57 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 80 L 7.83 3.99 0.00 2.06 1.70 0.68 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.22 4.22 0.00 2.33 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 82 E 8.31 3.98 0.00 2.31 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 2.35 2.43 0.00 83 L 7.77 4.04 0.00 1.80 1.87 0.99 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.77 4.55 0.00 4.15 4.41 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 85 N 8.00 4.44 0.00 2.99 2.95 0.00 0.00 6.85 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 N 8.45 4.44 0.00 2.97 2.96 0.00 0.00 7.10 6.38 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 87 L 8.51 4.26 0.00 2.26 1.87 1.10 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.62 4.83 0.00 3.22 3.03 0.00 0.00 7.05 7.94 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 89 S 8.14 4.62 0.00 3.97 4.12 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 0.00 0.00 0.00 0.00 90 C 8.46 4.99 0.00 2.99 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 91 F 8.04 4.98 0.00 2.63 2.83 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 92 T 8.65 4.56 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 1.27 0.00 0.00 93 K 8.96 4.32 0.00 1.89 2.00 0.00 1.64 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.59 7.81 94 D 8.49 5.29 0.00 2.94 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 8.03 4.78 0.00 2.94 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 96 E 7.32 4.38 0.00 1.93 1.84 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 1.98 1.96 0.00 97 E 8.71 3.88 0.00 1.86 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 2.27 2.35 0.00 98 Q 7.62 4.28 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.65 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 99 N 8.30 4.14 0.00 2.60 2.80 0.00 0.00 7.33 6.68 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 0.00 100 K 7.93 4.20 0.00 1.86 1.75 0.00 1.56 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.49 1.45 7.81 101 A 7.52 4.00 1.24 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 0.00 0.00 102 C 8.97 3.94 0.00 3.03 3.21 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 0.00 103 V 7.43 4.85 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.81 0.00 0.00 104 R 9.20 4.70 0.00 1.84 1.63 0.00 2.87 0.00 0.00 2.77 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.42 0.00 105 T 8.21 4.84 4.13 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 1.10 0.00 0.00 106 F 9.21 4.48 0.00 1.55 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 H 8.56 4.87 0.00 2.96 3.20 0.00 5.65 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.94 4.88 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 109 T 9.49 4.47 4.28 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 1.31 0.00 0.00 110 P 0.00 4.29 0.00 2.19 2.10 0.00 3.67 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 2.13 2.22 0.00 111 L 7.88 4.12 0.00 1.70 1.72 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 8.60 4.02 0.00 2.29 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 113 L 7.76 3.42 0.00 1.28 1.59 0.36 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.82 3.98 0.00 2.01 1.71 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 115 E 7.87 3.95 0.00 2.27 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 2.33 2.42 0.00 116 K 7.95 3.93 0.00 1.56 1.15 0.00 1.37 0.00 0.00 0.61 0.00 0.00 2.41 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.44 7.81 117 I 7.52 3.72 2.09 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.35 1.20 0.00 0.00 118 K 8.46 4.19 0.00 1.94 2.05 0.00 1.68 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.58 7.81 119 N 8.92 4.48 0.00 3.03 2.97 0.00 0.00 6.66 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.63 4.14 0.00 3.17 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 0.00 121 F 8.18 4.08 0.00 3.38 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 0.00 122 N 8.43 4.42 0.00 3.15 2.92 0.00 0.00 7.01 7.19 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 0.00 123 E 8.70 4.06 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 124 T 8.10 4.05 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 1.30 0.00 0.00 125 K 8.35 3.97 0.00 1.97 2.07 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.54 7.81 126 N 8.11 4.33 0.00 2.81 2.85 0.00 0.00 7.10 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.97 3.89 0.00 1.57 1.34 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.78 4.13 0.00 1.79 1.77 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 129 E 7.97 4.14 0.00 2.15 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 2.36 2.45 0.00 130 K 7.53 4.18 0.00 1.78 1.77 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.57 1.53 7.81 131 D 7.84 4.32 0.00 2.41 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 W 8.65 4.24 0.00 3.56 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 N 7.33 4.43 0.00 2.30 2.63 0.00 0.00 6.79 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 6.75 3.60 1.92 0.00 0.00 0.45 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 0.62 -0.30 0.00 0.00 135 F 8.49 4.20 0.00 3.01 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 T 7.36 4.45 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 137 K 7.65 3.97 0.00 1.71 1.69 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.38 7.81 138 N 8.55 4.51 0.00 2.70 2.71 0.00 0.00 6.98 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 0.00 139 C 9.31 4.51 0.00 2.53 1.75 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 0.00 140 N 8.26 4.29 0.00 2.81 2.96 0.00 0.00 7.03 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 N 8.07 4.36 0.00 2.72 2.86 0.00 0.00 7.00 7.98 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 0.00 142 S 7.71 4.15 0.00 3.66 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 0.00 143 F 7.88 4.71 0.00 3.23 3.02 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 0.00 0.00 0.00 144 A 8.09 4.16 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 7.74 4.09 0.00 1.92 1.92 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.75 7.81 146 C 7.46 4.11 0.00 3.15 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 0.00 147 S 9.06 4.66 0.00 3.74 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 0.00 148 S 8.62 4.07 0.00 4.02 3.79 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 0.00 0.00 0.00