NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4074 8.1927 115.2895 57.8713 63.8577 174.3245 3 S 3.9597 8.5994 120.8794 60.7348 62.2591 175.0120 4 S 4.0915 8.8038 116.7632 61.3342 62.5642 175.6350 5 I 3.7105 7.8554 122.5781 64.4670 36.8080 178.6281 6 R 3.8847 8.4449 119.3527 59.2677 29.8604 178.9791 7 E 3.9977 8.4218 118.5704 59.4094 29.4070 179.0469 8 E 3.9717 8.2244 119.3960 58.9561 29.6392 179.0176 9 V 3.5318 7.8909 118.6070 66.4613 31.6134 177.8769 10 H 4.2794 8.3321 115.9933 58.7841 28.4250 178.0803 11 R 3.9761 8.2246 120.1646 59.2620 29.8358 178.5509 12 H 4.0993 8.4315 118.1467 59.4089 29.7360 177.3334 13 L 4.0852 7.9704 119.4587 57.7177 41.1390 179.4606 14 G 3.7550 7.9908 105.2651 47.7542 0.0000 176.1691 15 T 3.9515 8.0356 118.1879 66.5034 68.5178 177.3047 16 V 3.6584 7.9428 113.8651 63.9032 31.4979 178.3518 17 A 4.0346 7.6709 119.9082 55.0281 17.9065 179.5739 18 L 4.0357 7.7617 116.8177 57.4772 41.6945 178.4889 19 M 4.4827 7.5555 116.1931 53.6990 32.3107 175.8593 20 Q 3.9471 7.2372 121.1750 55.6769 29.4806 174.7813 21 P 4.3691 0.0000 0.0000 63.0529 32.0193 175.2586 22 A 4.4696 8.0601 122.1660 51.4551 21.8271 176.3029 23 L 4.3326 8.2944 120.1315 53.6142 41.3806 176.4309 24 H 4.4490 8.5925 124.7757 54.6591 29.3578 174.5821 25 Q 4.3887 8.1508 129.3860 54.0282 28.6659 175.1006 26 Q 4.0788 8.4775 124.9078 55.8689 29.4486 176.1417 27 T 4.5731 8.2540 111.6076 60.3813 70.5670 174.3478 28 H 4.6144 8.4223 123.4734 54.6894 29.3609 172.9384 29 A 3.6844 8.0919 127.3169 52.2949 15.9693 175.7281 30 P 4.3598 0.0000 0.0000 61.6486 32.7746 177.1753 31 A 4.2888 8.2534 123.0887 51.2235 19.3120 177.0026 32 P 4.2643 0.0000 0.0000 65.8870 31.4624 178.9179 33 T 4.0897 7.9056 106.2117 63.3858 68.8070 174.4768 34 E 4.4015 8.2292 121.0469 56.1867 30.0027 175.5681 35 I 4.3674 7.5013 121.3755 59.8395 37.8768 176.3351 36 T 4.4055 8.2071 116.7210 60.8534 71.3652 174.9543 37 H 4.1770 8.6492 119.9532 59.6051 29.8455 177.0354 38 T 3.8320 7.9738 117.0826 66.8128 68.2781 176.3456 39 L 3.9114 7.9413 120.6820 57.5981 41.6580 179.2727 40 F 4.1152 8.6221 120.9810 61.4339 39.1203 177.2181 41 R 3.9606 8.2102 117.1205 59.2928 29.7105 178.0488 42 A 4.0346 7.9184 120.6686 55.3444 18.1354 179.2920 43 Y 4.2095 8.0179 114.9616 60.6887 37.9717 177.4754 44 T 4.3050 7.4172 108.4837 60.5165 69.3587 175.1069 45 R 3.9233 6.7469 117.0552 56.5622 30.1303 176.3018 46 V 3.9632 8.0206 118.6718 60.8947 31.7598 174.5280 47 P 4.0397 0.0000 0.0000 65.9955 31.1568 177.4763 48 H 4.3871 6.9732 111.4495 56.9049 28.7348 175.7984 49 D 4.5457 7.7336 121.4787 53.1760 39.3472 175.7177 50 V 4.7934 7.1492 113.4503 59.5516 33.2390 176.2953 51 G 3.9085 8.0098 109.5719 47.4645 0.0000 173.8150 52 G 4.0018 8.9602 113.3282 45.1323 0.0000 173.5602 53 E 4.0775 8.0713 120.0067 55.7925 30.0830 176.3979 54 A 4.3342 8.3257 125.8114 52.5140 19.1017 176.1170 55 D 4.5996 8.1359 119.2583 53.4281 44.2783 174.7951 56 V 4.1846 7.8863 115.7880 59.1972 33.1968 174.1697 57 P 4.4467 0.0000 0.0000 62.1211 31.8587 176.2378 58 I 4.3530 7.4169 114.9126 58.6017 40.3063 175.3133 59 E 3.9828 8.3790 123.2065 55.2194 28.4371 175.6816 60 Y 4.3288 7.9894 123.9204 58.5298 38.4936 175.9641 61 H 5.0610 8.4100 118.1786 53.7374 31.6731 172.7841 62 E 4.5500 8.4609 119.5162 55.0542 31.1196 175.6772 63 K 4.5944 8.0083 120.2532 54.4712 35.2860 175.9789 64 E 4.1225 8.6223 125.1824 56.2745 30.1297 176.3234 65 E 4.2843 8.3582 121.7093 55.8368 30.7637 176.6196 66 E 4.2900 8.7958 123.2359 55.5885 30.8204 177.8854 67 I 3.7217 8.5320 123.1091 64.4347 37.2033 178.8538 68 W 4.8967 8.3184 118.1853 58.9942 27.8844 178.1756 69 E 2.9302 7.0865 119.5798 58.7579 28.7103 179.0956 70 L 3.8062 7.4104 118.5281 57.8081 41.7298 179.1841 71 N 4.4559 8.3015 116.4813 56.4841 38.4012 177.7127 72 T 4.0535 8.0729 117.3400 66.5156 68.6124 176.4410 73 F 4.2095 8.2422 122.4778 61.3811 39.3349 176.9728 74 A 3.9494 8.1026 120.3099 55.4604 18.0907 179.7247 75 T 3.8839 8.1897 114.2048 67.0822 68.4238 176.6981 76 C 4.6040 8.5508 118.7380 63.1270 28.2550 176.1100 77 E 4.0987 8.3146 120.1943 59.5145 28.9881 179.1820 78 C 4.6604 8.6423 117.3142 62.8384 28.0979 176.0757 79 L 3.9241 8.4451 120.6827 57.5649 41.1348 179.4990 80 A 5.1566 8.2645 122.1976 54.5030 18.2446 179.1898 81 W 4.4601 8.6414 126.1611 60.7066 30.7078 177.4463 82 R 4.4035 8.0110 115.3803 55.8177 30.0030 177.3696 83 G 3.9916 8.0547 105.6721 46.0073 0.0000 175.7094 84 V 3.6829 8.0987 121.3163 65.1557 31.8483 175.6878 85 W 5.0159 7.8985 114.5318 54.9877 30.4406 173.0311 86 T 4.7831 8.6495 109.9081 60.0840 71.5196 175.5574 87 A 3.6018 8.2174 122.9386 55.1631 18.3278 179.8980 88 E 3.8062 7.9397 116.8478 59.4511 29.5725 179.1438 89 E 3.9346 7.7613 118.1890 59.1251 29.4345 179.2751 90 R 3.0148 7.0816 118.5867 59.1449 29.9441 178.6267 91 R 3.5890 7.7106 118.0474 59.2374 30.0113 178.9726 92 R 3.7566 7.7973 118.2042 59.4204 29.7148 178.7752 93 K 4.2348 7.9064 119.5854 58.8257 31.6482 179.2458 94 Q 4.1916 8.6300 121.6099 57.9467 28.0164 176.8600 95 N 4.9793 8.5283 115.5396 53.4033 39.2811 175.2509 96 C 4.1592 7.4982 115.6514 61.3265 30.2910 175.9535 97 D 4.4226 8.2053 119.1548 57.3217 40.5523 179.4900 98 V 3.6541 7.1013 111.4511 62.4227 31.8869 177.4102 99 G 4.1318 8.1941 105.2359 45.8065 0.0000 173.9794 100 Q 4.0308 8.8483 121.1168 59.6906 28.7525 179.5369 101 T 3.9278 7.9240 115.6477 66.9219 68.7729 176.7652 102 V 3.6247 7.8175 119.4905 65.9656 31.4790 177.0416 103 Y 4.1988 8.3952 119.6893 60.1195 38.4016 177.4050 104 L 4.5652 7.7349 116.8625 54.7896 43.1751 178.2041 105 G 3.8363 8.3594 105.3726 45.5079 0.0000 173.8018 106 M 4.6166 7.1222 119.0448 53.0481 34.2726 174.5772 107 P 4.6271 0.0000 0.0000 62.3057 33.4885 176.4393 108 Y 4.1690 8.8348 120.4787 62.0555 38.5648 178.5165 109 Y 4.4597 8.3170 116.3260 60.1515 38.0886 178.3452 110 G 3.9305 8.4467 107.2243 47.9670 0.0000 175.9459 111 R 4.1045 8.3649 120.5275 58.6590 30.1474 179.1136 112 W 4.4275 8.2215 120.3608 59.1699 29.1241 178.3137 113 L 4.2198 8.6952 120.2714 58.3871 41.6067 178.8718 114 L 4.0849 8.3132 119.0287 58.3602 41.6146 179.7562 115 T 4.0717 8.3111 115.2771 66.2198 68.1468 176.8819 116 A 3.9866 8.2084 122.8473 55.0237 18.2178 179.5321 117 A 4.0247 8.1523 119.4432 55.1238 18.4453 179.8117 118 R 3.8567 8.1587 117.4241 59.7066 30.1970 178.6690 119 I 3.8544 7.8348 118.3149 63.8969 37.8444 177.8182 120 L 4.0979 7.4652 118.7559 57.6232 41.4276 179.6355 121 V 3.9300 7.4231 119.2957 65.4080 31.3912 177.8872 122 D 4.4093 8.4034 117.7371 56.7634 40.6473 177.9128 123 K 4.1934 7.6777 116.4225 55.1194 32.2407 176.4142 124 Q 3.4455 7.5918 116.4839 56.9352 26.7832 175.2540 125 F 4.4836 7.9284 118.5584 59.7426 39.3112 176.5671 126 V 4.6822 7.3796 112.3377 58.8226 35.7777 174.7924 127 T 4.2317 8.7717 113.7010 60.8997 71.2750 175.9071 128 L 3.9072 8.2679 122.9738 58.4627 42.0046 179.2914 129 T 3.8564 7.7865 115.4359 66.6704 68.4376 176.2112 130 E 3.9793 8.2129 120.4863 59.1098 29.4217 179.2686 131 L 3.9402 7.6999 119.9725 58.4509 42.2379 178.6395 132 H 4.2413 8.5248 116.5664 59.1457 28.6281 177.5622 133 N 4.3695 8.5625 118.5819 56.1937 38.2580 177.4245 134 K 3.9552 8.2628 121.0919 59.4734 32.2581 179.0265 135 I 3.6983 7.8549 120.2592 64.2063 37.1419 178.5173 136 V 3.5623 7.8154 119.1378 66.0070 31.3699 177.7105 137 E 3.9312 8.3613 119.1324 59.4163 29.6066 178.3702 138 M 4.0218 8.3699 118.5974 58.8250 32.2288 178.4174 139 R 3.9501 8.1458 118.1618 59.2700 30.1671 178.9111 140 E 3.9531 8.0407 118.0878 59.2707 29.1989 179.4273 141 R 3.9129 7.7439 117.2158 59.3017 30.3685 178.9165 142 V 3.7182 7.6583 117.0716 66.1610 31.3831 177.9268 143 A 4.0228 8.0245 119.3625 55.0748 18.2461 179.3574 144 S 4.2683 8.0999 111.8278 59.8332 63.5265 175.5081 145 G 3.9834 7.9337 111.1581 45.0613 0.0000 174.9442 146 Q 3.8636 7.5216 120.6750 57.2736 29.2409 177.0886 147 G 4.0343 8.9416 101.7960 45.4313 0.0000 173.2024 148 L 4.5942 8.7962 120.4175 53.7024 43.4835 177.6089 149 G 3.7531 8.2084 118.8951 46.5681 0.0000 172.0951 150 E 4.2173 8.3997 121.5167 56.6931 30.2743 176.8540 151 Y 4.4746 7.9620 118.7829 60.2005 38.7821 175.2199 152 L 4.9016 7.5849 121.8729 53.2345 45.3428 173.5014 153 P 4.8719 0.0000 0.0000 61.5645 32.6833 174.2602 154 P 4.6433 0.0000 0.0000 62.6236 32.0508 176.4168 155 K 4.3035 8.8746 122.2400 56.0021 32.6632 177.4469 156 A 4.8491 8.4326 126.9296 51.8344 20.0894 176.6909 157 K 4.1840 8.6322 114.3487 57.8128 32.9695 176.6955 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 S 8.19 4.41 0.00 3.87 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 3 S 8.60 3.96 0.00 4.01 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 4 S 8.80 4.09 0.00 3.93 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 5 I 7.86 3.71 1.98 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 1.51 0.43 0.89 0.00 0.00 6 R 8.44 3.88 0.00 1.93 2.03 0.00 3.27 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.83 0.00 7 E 8.42 4.00 0.00 2.22 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 2.35 2.47 0.00 8 E 8.22 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 2.29 2.31 0.00 9 V 7.89 3.53 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 0.83 0.00 0.00 0.91 0.00 0.00 10 H 8.33 4.28 0.00 3.22 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.22 3.98 0.00 2.11 1.99 0.00 3.14 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 12 H 8.43 4.10 0.00 3.34 3.52 0.00 5.79 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 13 L 7.97 4.09 0.00 1.82 1.74 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.99 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 15 T 8.04 3.95 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 1.20 0.00 0.00 16 V 7.94 3.66 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 0.67 0.00 0.00 0.92 0.00 0.00 17 A 7.67 4.03 1.35 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 0.00 0.00 18 L 7.76 4.04 0.00 1.75 1.74 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 19 M 7.56 4.48 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 20 Q 7.24 3.95 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 21 P 0.00 4.37 0.00 2.08 1.97 0.00 3.76 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 2.03 2.08 0.00 22 A 8.06 4.47 1.22 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 0.00 0.00 23 L 8.29 4.33 0.00 1.65 1.67 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.59 4.45 0.00 3.08 3.27 0.00 5.90 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.15 4.39 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 26 Q 8.48 4.08 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.49 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 27 T 8.25 4.57 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 1.33 0.00 0.00 28 H 8.42 4.61 0.00 3.12 3.24 0.00 5.85 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 29 A 8.09 3.68 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 30 P 0.00 4.36 0.00 2.05 2.02 0.00 3.60 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 31 A 8.25 4.29 1.26 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 0.00 0.00 32 P 0.00 4.26 0.00 2.20 2.15 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 33 T 7.91 4.09 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 34 E 8.23 4.40 0.00 2.14 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 2.28 2.42 0.00 35 I 7.50 4.37 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.89 1.15 0.00 0.00 36 T 8.21 4.41 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 1.25 0.00 0.00 37 H 8.65 4.18 0.00 3.26 3.38 0.00 5.88 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 38 T 7.97 3.83 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 1.20 0.00 0.00 39 L 7.94 3.91 0.00 1.98 1.90 0.83 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.62 4.12 0.00 3.28 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 41 R 8.21 3.96 0.00 1.78 2.03 0.00 3.36 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 42 A 7.92 4.03 1.18 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 0.00 0.00 43 Y 8.02 4.21 0.00 2.88 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 44 T 7.42 4.30 4.04 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 0.41 0.00 0.00 45 R 6.75 3.92 0.00 1.94 2.14 0.00 3.09 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.51 0.00 46 V 8.02 3.96 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 0.77 0.00 0.00 0.89 0.00 0.00 47 P 0.00 4.04 0.00 1.54 1.79 0.00 3.49 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 48 H 6.97 4.39 0.00 3.40 3.37 0.00 5.57 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.73 4.55 0.00 2.66 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 50 V 7.15 4.79 2.14 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 1.20 0.00 0.00 1.00 0.00 0.00 51 G 8.01 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 0.00 0.00 0.00 52 G 8.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.07 4.08 0.00 2.18 1.89 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 2.33 2.33 0.00 54 A 8.33 4.33 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 55 D 8.14 4.60 0.00 2.62 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 56 V 7.89 4.18 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 0.77 0.00 0.00 0.90 0.00 0.00 57 P 0.00 4.45 0.00 1.97 1.90 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 58 I 7.42 4.35 1.72 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 0.92 -0.06 0.83 0.00 0.00 59 E 8.38 3.98 0.00 1.87 1.89 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 2.28 2.29 0.00 60 Y 7.99 4.33 0.00 3.02 2.77 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 61 H 8.41 5.06 0.00 3.17 3.26 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.46 4.55 0.00 1.97 1.89 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 2.25 2.21 0.00 63 K 8.01 4.59 0.00 1.68 1.58 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.43 7.81 64 E 8.62 4.12 0.00 1.97 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 2.29 2.31 0.00 65 E 8.36 4.28 0.00 1.84 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 2.18 2.23 0.00 66 E 8.80 4.29 0.00 1.19 1.66 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 2.18 2.25 0.00 67 I 8.53 3.72 2.13 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 1.70 0.95 0.90 0.00 0.00 68 W 8.32 4.90 0.00 3.53 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 69 E 7.09 2.93 0.00 1.50 1.12 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 1.47 1.47 0.00 70 L 7.41 3.81 0.00 1.75 1.67 0.86 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.30 4.46 0.00 3.06 3.00 0.00 0.00 7.03 6.37 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 72 T 8.07 4.05 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 73 F 8.24 4.21 0.00 2.84 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 74 A 8.10 3.95 1.44 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 0.00 0.00 75 T 8.19 3.88 4.54 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 1.29 0.00 0.00 76 C 8.55 4.60 0.00 3.55 3.42 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 77 E 8.31 4.10 0.00 1.82 1.94 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 1.76 1.93 0.00 78 C 8.64 4.66 0.00 3.24 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 79 L 8.45 3.92 0.00 1.98 1.31 0.60 0.56 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 80 A 8.26 5.16 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 81 W 8.64 4.46 0.00 3.25 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 82 R 8.01 4.40 0.00 1.66 1.72 0.00 3.04 0.00 0.00 2.44 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.37 0.00 83 G 8.05 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 84 V 8.10 3.68 1.94 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 0.50 0.00 0.00 0.40 0.00 0.00 85 W 7.90 5.02 0.00 3.63 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 86 T 8.65 4.78 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 1.26 0.00 0.00 87 A 8.22 3.60 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 88 E 7.94 3.81 0.00 1.93 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 2.34 2.30 0.00 89 E 7.76 3.93 0.00 2.21 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 0.00 2.36 2.33 0.00 90 R 7.08 3.01 0.00 0.67 1.18 0.00 2.54 0.00 0.00 2.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.73 0.00 91 R 7.71 3.59 0.00 1.85 1.85 0.00 3.32 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.62 0.00 92 R 7.80 3.76 0.00 1.78 2.00 0.00 3.31 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 93 K 7.91 4.23 0.00 2.04 1.92 0.00 1.91 0.00 0.00 2.03 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.54 7.81 94 Q 8.63 4.19 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 95 N 8.53 4.98 0.00 2.73 2.89 0.00 0.00 6.80 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 96 C 7.50 4.16 0.00 2.99 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 97 D 8.21 4.42 0.00 2.92 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 98 V 7.10 3.65 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 0.78 0.00 0.00 1.13 0.00 0.00 99 G 8.19 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 0.00 0.00 0.00 100 Q 8.85 4.03 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 101 T 7.92 3.93 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 1.25 0.00 0.00 102 V 7.82 3.62 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 1.11 0.00 0.00 0.98 0.00 0.00 103 Y 8.40 4.20 0.00 3.26 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 0.00 104 L 7.73 4.57 0.00 1.63 1.68 1.05 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.36 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 0.00 0.00 0.00 106 M 7.12 4.62 0.00 2.14 2.21 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 2.61 2.68 0.00 107 P 0.00 4.63 0.00 2.45 2.15 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 108 Y 8.83 4.17 0.00 2.99 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 0.00 109 Y 8.32 4.46 0.00 3.08 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 0.00 110 G 8.45 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 0.00 111 R 8.36 4.10 0.00 2.13 2.05 0.00 3.27 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 112 W 8.22 4.43 0.00 3.76 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.70 4.22 0.00 2.19 2.08 1.07 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.31 4.08 0.00 1.83 1.79 0.99 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.31 4.07 4.57 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 1.44 0.00 0.00 116 A 8.21 3.99 1.56 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 0.00 0.00 117 A 8.15 4.02 1.40 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 0.00 118 R 8.16 3.86 0.00 2.14 2.21 0.00 3.17 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 119 I 7.83 3.85 1.54 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 1.03 0.92 0.06 0.00 0.00 120 L 7.47 4.10 0.00 1.92 1.72 0.89 0.62 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 0.00 121 V 7.42 3.93 2.17 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 1.27 0.00 0.00 0.95 0.00 0.00 122 D 8.40 4.41 0.00 2.71 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 0.00 123 K 7.68 4.19 0.00 1.78 1.24 0.00 2.13 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.47 7.81 124 Q 7.59 3.45 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 7.03 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 125 F 7.93 4.48 0.00 3.15 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 0.00 126 V 7.38 4.68 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 0.87 0.00 0.00 0.95 0.00 0.00 127 T 8.77 4.23 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 1.19 0.00 0.00 128 L 8.27 3.91 0.00 1.70 1.61 0.82 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.79 3.86 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 1.21 0.00 0.00 130 E 8.21 3.98 0.00 2.17 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 2.32 2.31 0.00 131 L 7.70 3.94 0.00 1.77 1.79 0.93 0.88 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 0.00 132 H 8.52 4.24 0.00 3.31 3.30 0.00 5.69 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 0.00 133 N 8.56 4.37 0.00 2.90 2.87 0.00 0.00 6.71 7.46 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 0.00 134 K 8.26 3.96 0.00 1.95 2.01 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 135 I 7.85 3.70 2.03 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 1.39 0.65 0.89 0.00 0.00 136 V 7.82 3.56 2.24 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 0.99 0.00 0.00 1.00 0.00 0.00 137 E 8.36 3.93 0.00 2.14 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 2.31 2.46 0.00 138 M 8.37 4.02 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 139 R 8.15 3.95 0.00 2.05 1.95 0.00 3.16 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 140 E 8.04 3.95 0.00 2.27 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 2.33 2.57 0.00 141 R 7.74 3.91 0.00 2.06 2.02 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 142 V 7.66 3.72 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 1.01 0.00 0.00 0.94 0.00 0.00 143 A 8.02 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 0.00 144 S 8.10 4.27 0.00 4.05 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 0.00 145 G 7.93 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 0.00 146 Q 7.52 3.86 0.00 1.98 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.37 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 147 G 8.94 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 0.00 148 L 8.80 4.59 0.00 1.68 1.63 0.98 1.24 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 0.00 149 G 8.21 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 0.00 0.00 0.00 150 E 8.40 4.22 0.00 1.92 1.90 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 1.58 1.77 0.00 151 Y 7.96 4.47 0.00 3.22 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 0.00 152 L 7.58 4.90 0.00 1.80 1.61 0.95 0.97 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 0.00 153 P 0.00 4.87 0.00 2.12 2.04 0.00 3.85 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 154 P 0.00 4.64 0.00 1.96 2.03 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.24 0.00 155 K 8.87 4.30 0.00 1.62 1.74 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.40 7.81 156 A 8.43 4.85 1.18 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 0.00 0.00 157 K 8.63 4.18 0.00 1.87 1.79 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.41 7.81