NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4759 8.3049 120.3314 54.8873 33.4911 174.4968 2 E 3.9463 8.3350 118.8445 55.3506 28.7343 175.5596 3 A 4.0653 9.2396 126.3765 52.2812 19.8640 178.5285 4 L 4.1210 8.5341 123.3075 56.1251 41.8627 178.0325 5 G 3.7572 8.6617 104.4409 45.6409 0.0000 172.6151 6 A 4.4893 7.4014 117.0762 51.1878 22.1157 176.1870 7 D 4.8588 8.6531 120.1043 52.7737 42.7959 176.0667 8 V 4.6422 8.4481 123.1890 61.3872 34.1824 175.1743 9 T 4.4085 8.2760 122.2205 61.4065 69.7239 174.0785 10 Q 3.9020 8.8528 126.2633 56.8642 28.7405 177.2935 11 G 3.9900 8.7933 109.5859 46.6268 0.0000 172.7264 12 L 5.0885 8.1597 120.2841 52.8990 46.0117 175.1467 13 E 5.1704 8.7879 119.2310 53.8714 34.1982 175.4239 14 K 4.0650 8.5679 122.5985 58.2258 32.5197 177.3280 15 G 3.9719 8.8057 113.7355 45.2136 0.0000 173.6375 16 S 4.4410 7.9180 116.8557 58.0777 64.3876 173.2624 17 L 5.0461 8.4737 124.3830 53.5394 42.7093 175.5689 18 I 4.6559 8.5951 117.6625 59.1528 41.6377 174.2122 19 T 4.5234 8.4290 118.1978 63.0155 70.0724 174.5764 20 C 4.5904 9.0445 127.0955 57.9463 30.7507 173.1727 21 A 4.4990 8.2854 129.0441 48.7806 15.5845 175.4630 22 D 4.8370 7.6269 119.9630 53.1435 41.4581 176.6657 23 N 4.9655 8.5178 114.7874 52.8995 37.7203 176.3258 24 T 3.9113 8.4764 111.3788 64.0660 69.2422 175.1896 25 G 3.8654 8.4922 110.0846 44.9159 0.0000 172.4608 26 A 4.7440 7.3232 123.1620 50.7417 19.6612 176.9243 27 R 4.1619 8.6192 123.4287 58.4118 30.8499 175.8496 28 E 5.0680 7.9745 119.3507 54.5527 32.2014 173.9870 29 L 5.1239 8.9182 125.8404 52.7438 45.7215 175.1836 30 K 4.8698 8.6710 123.5052 54.2875 34.7520 175.4916 31 V 3.9349 8.7396 128.6673 63.5183 31.9136 176.2534 32 I 4.3582 8.9326 127.9805 62.6207 39.8286 175.5294 33 S 4.6045 7.6543 115.1738 57.6938 67.9691 174.0272 34 V 4.4857 8.1134 120.5252 61.2970 33.5035 174.0401 35 H 4.1009 8.8456 128.1130 57.3478 30.2989 174.4654 36 G 3.9542 8.3571 110.6353 46.3592 0.0000 172.2347 37 Y 4.6208 7.9528 121.0704 55.7548 40.1398 174.4872 38 S 4.5202 7.4161 120.2916 56.4448 66.8149 172.4346 39 G 4.1870 7.6629 115.3928 44.4553 0.0000 175.5809 40 T 4.3555 8.5984 117.4086 60.4213 69.7279 171.5224 41 K 4.1242 8.3143 125.1967 57.2752 32.5595 176.8644 42 N 4.4215 8.9483 121.5883 53.9926 37.5596 174.4452 43 R 4.1330 8.4015 119.6617 55.8887 30.6752 175.5223 44 H 4.5119 8.7644 123.2301 54.6429 29.4670 173.3705 45 P 4.6245 0.0000 0.0000 63.0683 32.0565 175.1447 46 K 5.0502 8.0113 122.2791 54.9976 35.1300 175.2527 47 A 4.6841 9.5312 124.7182 50.4961 22.5540 175.6671 48 G 4.3973 9.5276 110.5800 44.1314 0.0000 171.5194 49 L 3.9523 7.8633 120.8080 56.1406 41.9826 177.5138 50 G 4.0492 8.8608 111.1107 45.8414 0.0000 172.5580 51 D 5.0556 7.7023 119.2523 52.2358 43.9065 175.4706 52 K 4.7648 8.5895 123.4515 55.3539 33.6899 175.3610 53 I 4.9468 8.4865 120.7152 59.4547 41.5367 174.0107 54 T 4.8605 8.4649 118.2200 61.8770 71.2354 174.2313 55 V 5.0269 9.4375 125.9535 61.1613 36.1749 173.8150 56 S 5.0245 8.6405 115.9901 56.3939 66.6472 173.5426 57 V 4.1450 8.2318 123.7933 63.1379 31.5243 176.5814 58 T 4.0953 8.4345 125.6749 65.8137 69.2551 175.8450 59 K 4.5589 8.8577 119.4990 53.4836 36.2968 177.2910 60 G 4.1899 8.2677 110.1382 45.7357 0.0000 171.1414 61 T 3.9880 7.9580 110.8586 61.3322 69.1915 173.8714 62 P 3.8969 0.0000 0.0000 65.7394 31.7177 177.2440 63 E 4.1617 8.0512 116.5691 59.1627 29.8367 177.9074 64 M 4.2209 8.9101 119.4930 57.5148 32.4717 177.0710 65 R 4.0281 7.7564 116.4497 57.6903 30.5983 177.4325 66 R 4.0176 8.4556 118.3018 56.6809 29.3725 176.6663 67 Q 4.1852 7.5253 118.3864 55.5129 30.1527 175.7161 68 V 4.8121 8.3222 124.0035 61.4415 31.3633 174.5188 69 L 4.7875 8.1754 127.4451 52.7586 45.6433 174.4743 70 E 4.9344 8.3787 119.2541 55.3012 32.8247 174.4723 71 A 4.7623 8.3837 124.4951 51.4032 23.2979 174.9221 72 V 4.6356 8.2422 116.1992 61.1709 35.6009 175.1448 73 V 4.0842 8.4062 126.3867 62.5075 32.1241 176.3244 74 V 3.9389 8.8689 128.9839 64.4748 33.2400 175.8848 75 R 4.0388 7.4205 117.3180 54.2045 34.6178 174.2779 76 Q 4.9200 7.9736 118.4481 54.8873 32.0814 176.1040 77 R 4.4212 8.9998 119.1834 58.3970 30.5106 177.8932 78 K 4.1857 7.8741 118.3647 55.5539 32.6882 175.1978 79 P 4.8209 0.0000 0.0000 63.3698 32.2352 175.4346 80 I 4.8139 8.4726 113.9222 59.4183 41.7212 173.5838 81 R 5.0712 8.9192 124.4227 54.8609 32.1189 176.0424 82 R 4.6775 8.5205 125.3564 54.3218 31.5078 175.5150 83 P 4.1899 0.0000 0.0000 65.8239 31.2784 177.0938 84 D 4.6310 8.0431 114.7575 53.1203 39.7219 175.2302 85 G 4.1551 8.4991 109.3279 46.1811 0.0000 174.6967 86 T 4.0684 7.2964 114.0342 64.1106 69.7632 173.5404 87 R 5.1208 8.3919 120.8292 54.6022 33.8677 175.6707 88 V 4.4528 8.5058 120.7266 61.1707 34.7584 174.3115 89 K 4.9939 8.3707 125.5819 55.3649 35.9593 175.2490 90 F 4.8553 9.1840 120.1590 55.5940 41.7050 176.6563 91 E 3.9968 9.0447 120.7296 58.9189 29.6558 175.2874 92 D 4.8325 7.7725 115.7592 52.3886 43.1850 173.7378 93 N 5.1610 8.6397 114.7405 51.7547 40.9946 174.1994 94 A 5.0917 9.1472 123.9402 51.0111 23.4006 174.5259 95 A 4.9797 9.1754 120.2825 50.6596 23.7529 175.2523 96 V 4.4571 8.4561 119.4404 60.7371 34.0532 175.2055 97 I 4.3426 8.4835 129.2784 61.6790 37.8443 175.6226 98 V 4.8911 8.7466 126.3919 59.9877 34.8203 174.7076 99 D 4.8379 8.1701 120.8668 51.3368 41.8119 176.7376 100 E 3.8826 8.9196 117.8852 60.1054 29.1840 178.7429 101 N 4.4693 9.0163 113.5386 54.0436 38.8446 175.6880 102 E 3.8701 8.8205 117.2333 56.7781 27.6876 173.6784 103 D 5.1363 8.1809 118.1791 51.1364 40.9520 174.3368 104 P 4.5905 0.0000 0.0000 63.2038 31.5095 177.4237 105 R 3.9644 8.5099 121.8933 58.4464 30.2223 176.5374 106 G 4.0301 7.1133 105.6763 44.7437 0.0000 173.0424 107 T 4.3299 8.6052 113.9607 64.5340 69.9470 175.3881 108 E 4.7385 8.7633 120.3777 54.2841 32.4238 174.7822 109 L 4.9737 8.3416 121.9984 53.1128 43.3368 176.1384 110 K 4.2717 8.4708 123.0453 56.0615 33.3749 177.5654 111 G 3.9259 8.6918 110.5601 44.0673 0.0000 170.6518 112 P 4.9639 0.0000 0.0000 62.5798 32.6882 175.6753 113 I 4.7568 8.4152 119.6096 59.4362 42.0518 174.5095 114 A 4.8279 8.2050 126.5050 51.7127 18.7324 178.3411 115 R 3.8637 8.7745 120.7168 60.0739 28.3844 178.9492 116 E 4.3546 8.3968 119.3091 59.1086 29.3755 179.7155 117 V 3.8508 8.1765 117.8022 66.2293 31.4775 176.8035 118 A 3.8954 9.4934 119.7839 55.4709 17.8634 178.9757 119 Q 3.8540 7.4660 117.4862 57.4468 29.7334 178.4789 120 R 4.0659 8.1526 117.4036 56.6571 32.7454 175.8025 121 F 4.9213 7.9340 117.7213 54.0322 38.6027 175.2525 122 G 3.7408 7.8440 108.1799 47.8798 0.0000 171.6472 123 S 4.5702 8.2085 116.3887 60.4300 63.0483 177.3616 124 V 3.5902 7.7436 121.2592 65.5804 31.2399 177.8108 125 A 4.1155 8.4988 121.1567 55.1013 18.2927 179.8655 126 S 4.3299 7.9637 107.6942 59.2261 62.5726 174.7181 127 A 4.6770 7.5351 122.3932 51.7934 20.0861 176.9894 128 A 4.2940 8.1549 119.8628 52.1809 19.3523 178.0402 129 T 4.2090 8.5475 118.4817 65.8194 69.4941 175.2755 130 M 4.8040 7.8596 120.1768 53.4224 35.6052 174.3781 131 I 4.5692 8.4863 124.2577 59.4961 39.9606 175.7691 132 V 3.9452 8.7809 127.1668 62.9744 31.5328 175.7172 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 M 8.30 4.48 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 2 E 8.34 3.95 0.00 1.95 1.80 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 2.28 2.33 0.00 3 A 9.24 4.07 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 4 L 8.53 4.12 0.00 1.64 1.75 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.66 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 0.00 0.00 0.00 6 A 7.40 4.49 1.20 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 0.00 0.00 0.00 7 D 8.65 4.86 0.00 2.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.45 4.64 2.10 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 0.85 0.00 0.00 0.96 0.00 0.00 9 T 8.28 4.41 4.26 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 1.22 0.00 0.00 10 Q 8.85 3.90 0.00 1.97 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 11 G 8.79 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 0.00 0.00 0.00 12 L 8.16 5.09 0.00 1.65 1.50 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.79 5.17 0.00 1.88 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 14 K 8.57 4.07 0.00 1.70 1.70 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.61 7.81 15 G 8.81 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 0.00 0.00 0.00 16 S 7.92 4.44 0.00 3.84 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 17 L 8.47 5.05 0.00 1.51 1.60 0.94 0.78 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 18 I 8.60 4.66 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.32 0.89 0.00 0.00 19 T 8.43 4.52 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 1.20 0.00 0.00 20 C 9.04 4.59 0.00 2.89 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.50 1.29 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 0.00 0.00 0.00 22 D 7.63 4.84 0.00 2.80 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 23 N 8.52 4.97 0.00 2.83 2.92 0.00 0.00 6.04 7.71 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 24 T 8.48 3.91 4.22 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 1.26 0.00 0.00 25 G 8.49 3.87 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 0.00 0.00 0.00 26 A 7.32 4.74 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 27 R 8.62 4.16 0.00 1.88 1.93 0.00 3.09 0.00 0.00 3.09 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 28 E 7.97 5.07 0.00 2.02 1.85 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 2.28 2.45 0.00 29 L 8.92 5.12 0.00 1.55 1.48 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.67 4.87 0.00 1.78 1.77 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.33 7.81 31 V 8.74 3.93 2.22 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 0.85 0.00 0.00 0.97 0.00 0.00 32 I 8.93 4.36 2.00 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 1.22 0.96 0.91 0.00 0.00 33 S 7.65 4.60 0.00 3.75 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 34 V 8.11 4.49 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 0.96 0.00 0.00 0.85 0.00 0.00 35 H 8.85 4.10 0.00 3.24 3.36 0.00 6.15 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.36 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 0.00 0.00 0.00 37 Y 7.95 4.62 0.00 3.09 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 38 S 7.42 4.52 0.00 3.78 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.66 4.19 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 0.00 0.00 0.00 40 T 8.60 4.36 4.23 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 1.23 0.00 0.00 41 K 8.31 4.12 0.00 1.76 1.72 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.53 7.81 42 N 8.95 4.42 0.00 2.94 2.98 0.00 0.00 7.06 7.66 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 43 R 8.40 4.13 0.00 1.78 2.01 0.00 3.39 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 44 H 8.76 4.51 0.00 3.27 3.22 0.00 5.78 0.00 0.00 0.00 0.00 6.93 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 4.62 0.00 2.16 2.49 0.00 3.70 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 46 K 8.01 5.05 0.00 1.64 1.73 0.00 1.48 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.08 1.09 7.81 47 A 9.53 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 9.53 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.86 3.95 0.00 1.64 1.65 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.86 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.70 5.06 0.00 2.69 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 52 K 8.59 4.76 0.00 1.74 1.63 0.00 1.49 0.00 0.00 1.65 0.00 0.00 2.58 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.34 1.46 7.81 53 I 8.49 4.95 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.61 0.91 0.00 0.00 54 T 8.46 4.86 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 55 V 9.44 5.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.90 0.00 0.00 56 S 8.64 5.02 0.00 3.88 3.87 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 57 V 8.23 4.15 2.20 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 0.94 0.00 0.00 0.95 0.00 0.00 58 T 8.43 4.10 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 1.31 0.00 0.00 59 K 8.86 4.56 0.00 1.64 1.63 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.53 7.81 60 G 8.27 4.19 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 0.00 0.00 0.00 61 T 7.96 3.99 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 1.20 0.00 0.00 62 P 0.00 3.90 0.00 2.06 2.16 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 63 E 8.05 4.16 0.00 1.95 2.00 0.00 0.00 0.00 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 64 M 8.91 4.22 0.00 1.98 2.19 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 2.75 2.64 0.00 65 R 7.76 4.03 0.00 1.94 1.87 0.00 3.30 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 66 R 8.46 4.02 0.00 1.99 2.10 0.00 3.15 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.53 4.19 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 68 V 8.32 4.81 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 1.16 0.00 0.00 0.92 0.00 0.00 69 L 8.18 4.79 0.00 1.58 1.53 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.38 4.93 0.00 1.99 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 2.20 2.35 0.00 71 A 8.38 4.76 1.16 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 0.00 0.00 72 V 8.24 4.64 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 -0.04 0.00 0.00 73 V 8.41 4.08 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 0.81 0.00 0.00 0.94 0.00 0.00 74 V 8.87 3.94 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 0.77 0.00 0.00 0.89 0.00 0.00 75 R 7.42 4.04 0.00 1.46 1.13 0.00 3.09 0.00 0.00 3.49 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.26 0.00 76 Q 7.97 4.92 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.69 0.00 77 R 9.00 4.42 0.00 1.87 2.06 0.00 3.15 0.00 0.00 3.03 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.56 0.00 78 K 7.87 4.19 0.00 1.77 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.56 7.81 79 P 0.00 4.82 0.00 1.98 1.99 0.00 3.70 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 80 I 8.47 4.81 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.84 1.00 0.00 0.00 81 R 8.92 5.07 0.00 1.88 1.82 0.00 3.08 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 82 R 8.52 4.68 0.00 1.94 1.82 0.00 3.20 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.00 83 P 0.00 4.19 0.00 2.03 2.15 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 2.04 2.11 0.00 84 D 8.04 4.63 0.00 2.77 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 85 G 8.50 4.16 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 0.00 0.00 0.00 86 T 7.30 4.07 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 1.18 0.00 0.00 87 R 8.39 5.12 0.00 1.63 1.79 0.00 3.32 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 88 V 8.51 4.45 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 0.66 0.00 0.00 0.89 0.00 0.00 89 K 8.37 4.99 0.00 2.01 1.69 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.71 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.40 7.81 90 F 9.18 4.86 0.00 3.29 3.03 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 0.00 0.00 0.00 91 E 9.04 4.00 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 92 D 7.77 4.83 0.00 2.67 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 N 8.64 5.16 0.00 2.62 2.71 0.00 0.00 6.49 7.26 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 94 A 9.15 5.09 1.19 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 0.00 0.00 95 A 9.18 4.98 1.14 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 96 V 8.46 4.46 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 0.99 0.00 0.00 0.94 0.00 0.00 97 I 8.48 4.34 1.83 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 1.25 0.37 0.92 0.00 0.00 98 V 8.75 4.89 1.92 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 0.58 0.00 0.00 0.83 0.00 0.00 99 D 8.17 4.84 0.00 2.93 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 0.00 100 E 8.92 3.88 0.00 1.97 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 2.32 2.37 0.00 101 N 9.02 4.47 0.00 2.93 2.87 0.00 0.00 7.26 5.70 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 0.00 102 E 8.82 3.87 0.00 2.12 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 0.00 2.15 2.27 0.00 103 D 8.18 5.14 0.00 2.83 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.59 0.00 2.19 2.18 0.00 3.69 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 2.07 1.97 0.00 105 R 8.51 3.96 0.00 1.79 1.97 0.00 3.22 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.11 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.61 4.33 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 0.00 108 E 8.76 4.74 0.00 1.95 1.80 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 2.20 2.23 0.00 109 L 8.34 4.97 0.00 1.62 1.58 0.97 0.95 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 0.00 110 K 8.47 4.27 0.00 1.73 1.73 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.48 7.81 111 G 8.69 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 0.00 112 P 0.00 4.96 0.00 2.25 2.14 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 113 I 8.42 4.76 1.90 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 1.13 0.76 0.92 0.00 0.00 114 A 8.21 4.83 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 0.00 115 R 8.77 3.86 0.00 2.11 2.27 0.00 2.83 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 116 E 8.40 4.35 0.00 2.10 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 2.43 2.59 0.00 117 V 8.18 3.85 2.21 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 1.26 0.00 0.00 1.01 0.00 0.00 118 A 9.49 3.90 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 0.00 119 Q 7.47 3.85 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 120 R 8.15 4.07 0.00 0.86 0.66 0.00 2.86 0.00 0.00 2.86 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.24 0.00 121 F 7.93 4.92 0.00 3.08 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 0.00 122 G 7.84 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 0.00 0.00 0.00 123 S 8.21 4.57 0.00 4.07 4.21 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 0.00 124 V 7.74 3.59 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 1.01 0.00 0.00 0.94 0.00 0.00 125 A 8.50 4.12 1.39 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 0.00 0.00 0.00 126 S 7.96 4.33 0.00 4.07 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.54 4.68 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 0.00 128 A 8.15 4.29 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 0.00 129 T 8.55 4.21 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 1.22 0.00 0.00 130 M 7.86 4.80 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 131 I 8.49 4.57 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.64 1.01 0.00 0.00 132 V 8.78 3.95 2.20 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 0.87 0.00 0.00 1.00 0.00 0.00