NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.3630 8.1127 119.0772 56.0842 31.4092 175.0262 9 L 3.9486 8.4126 114.6096 59.7033 42.1304 178.1009 10 D 5.0070 8.9833 117.3956 56.2403 41.7826 175.8215 11 D 4.9655 7.5089 116.5601 53.8795 41.7426 176.5721 12 Q 4.2809 8.2174 120.4078 55.4481 30.4209 176.9497 13 I 3.8291 8.4856 124.3008 63.8994 38.1052 178.1877 14 G 3.7041 8.1716 106.2790 48.0453 0.0000 175.0743 15 F 4.4734 8.3290 123.2947 60.8817 39.3057 177.1385 16 I 3.4328 7.8400 119.3292 64.2213 36.8705 178.2697 17 L 3.9297 8.3518 120.1678 57.8610 41.4963 179.6224 18 R 3.8835 8.3587 118.8636 59.5642 29.9525 178.6532 19 Q 3.9038 7.9171 117.5780 58.9007 28.7168 178.4811 20 A 3.9703 8.1288 121.9891 55.1800 18.3896 179.2225 21 N 4.3579 8.4392 115.7285 56.8699 39.0609 177.2032 22 Q 4.0832 8.1411 119.6845 58.5834 28.7038 178.4933 23 R 3.8948 8.3883 120.3864 59.4128 30.1465 177.9068 24 Y 3.9295 8.1669 119.1692 60.7196 38.8385 177.7848 25 A 4.0936 8.3025 121.4545 55.0938 18.3896 179.5683 26 A 3.8753 7.9584 118.9397 55.3080 18.4163 179.7279 27 L 3.7945 7.9596 117.6859 57.8569 41.6891 179.5600 28 F 3.6138 8.2194 120.4868 61.2124 39.0799 176.8092 29 A 4.0491 7.8123 118.8647 55.4415 18.2462 178.9384 30 N 4.5434 8.0789 113.0425 54.7647 38.8460 176.7323 31 G 3.8369 7.1917 104.7704 44.5501 0.0000 174.7923 32 I 3.2773 7.2319 121.2286 61.9517 37.6449 177.3339 33 G 4.0264 7.9760 107.9200 45.5186 0.0000 173.7265 34 N 4.4430 7.6708 114.5610 53.0275 37.8534 176.2252 35 G 3.9499 8.2274 107.1026 45.3579 0.0000 173.2098 36 L 4.6990 8.1481 120.1263 53.6805 42.9602 177.5202 37 T 4.2656 8.3937 113.4752 61.0127 70.8267 173.8831 38 P 3.1740 0.0000 0.0000 65.4879 31.1670 178.8635 39 T 4.0892 7.7233 107.8835 64.3461 69.2547 176.9451 40 Q 4.0571 7.9320 121.2298 58.4606 28.7071 178.4412 41 W 4.3090 8.5330 129.3692 60.3977 30.7959 177.9388 42 A 3.9114 8.1627 120.5945 55.0476 17.7202 179.5061 43 A 3.8598 7.9928 119.2738 55.0901 18.5971 179.5097 44 L 3.7312 7.6238 118.5384 58.1769 41.8838 179.3316 45 V 3.1698 7.2995 117.0290 65.8775 31.7724 177.4461 46 R 3.9611 8.0926 118.7217 59.6478 29.9484 178.4530 47 L 4.1764 7.6459 120.2221 57.0634 41.2916 179.7084 48 G 3.5988 7.7153 105.1179 47.4676 0.0000 175.0411 49 E 4.2116 7.9201 118.9378 58.2627 30.2464 178.0801 50 T 4.2911 7.8948 109.2766 62.5284 70.0232 175.7440 51 G 4.0022 8.1068 109.7159 44.3384 0.0000 170.6780 52 P 4.6110 0.0000 0.0000 63.3957 32.0003 175.8066 53 C 4.7653 8.9427 123.8442 56.8554 35.5168 171.3195 54 P 5.0314 0.0000 0.0000 62.5341 31.7046 176.7193 55 Q 3.9159 9.1292 124.9978 59.8279 28.9416 178.9066 56 N 4.4833 8.0899 116.6038 56.0779 38.6280 177.1155 57 Q 3.9537 8.0129 120.8049 59.0057 28.9994 177.7293 58 L 4.0339 8.0543 120.8547 57.9486 42.3472 178.9056 59 G 3.7870 7.8598 105.1683 48.1126 0.0000 176.0058 60 R 4.0052 7.8602 119.3505 58.1447 30.1125 178.3785 61 L 4.4214 7.6346 117.2097 55.4917 41.9295 177.0795 62 T 4.4614 7.4415 108.4512 60.7740 69.2586 173.5988 63 A 3.4551 8.0427 123.9512 53.5528 15.3587 177.3933 *65 D 4.4323 7.7911 119.0544 53.6375 43.7098 175.6335 66 A 4.1064 8.4111 122.1695 55.5161 18.2205 180.0925 67 A 3.9063 7.8532 118.4903 55.5909 18.5726 179.7465 68 T 3.7877 7.8363 113.8033 66.9314 68.5006 176.5725 69 I 3.6999 8.3328 120.8286 63.6907 37.9038 177.6907 70 K 4.1701 7.6049 122.2384 58.7378 32.0298 178.7993 71 G 3.6742 8.2558 105.9813 48.1726 0.0000 176.1088 72 V 3.7053 7.5563 115.5311 63.8222 31.5744 178.9196 73 V 3.5662 8.1294 118.4444 65.7840 31.3098 177.6828 74 E 3.9196 8.3965 119.2196 59.5521 28.8118 179.1765 75 R 3.9976 7.9947 117.7490 58.9902 29.9906 179.0560 76 L 4.1643 8.2367 119.4162 57.5477 41.4743 178.9869 77 D 4.3010 8.1112 118.2176 57.0646 41.0797 177.7629 78 K 4.2528 7.9927 116.5115 57.7997 32.1518 176.7798 79 R 4.4766 6.9674 111.4238 55.6810 31.8122 175.9520 80 G 3.9276 8.3416 105.9643 46.3552 0.0000 174.6085 81 L 4.6753 8.1393 120.6293 54.9702 42.9201 176.2918 82 I 5.2771 7.7238 111.0387 58.8687 41.1748 174.5911 83 Q 4.6905 9.0620 120.5834 54.5160 31.7015 174.1904 84 R 5.2473 8.5901 120.8094 54.7548 32.3093 175.5143 85 S 4.7576 8.9628 116.5915 56.4928 67.0072 173.2433 86 A 4.4741 8.5045 123.0561 52.0385 19.0677 176.8187 87 D 4.4839 9.0617 122.8769 53.4599 41.5104 175.5569 88 P 4.3062 0.0000 0.0000 65.2662 31.6030 176.9835 89 D 4.5576 8.1119 117.5987 55.3386 41.4673 176.4134 90 D 4.4988 8.0098 119.1947 52.6967 41.9768 175.4885 91 G 3.7124 8.5022 115.1412 47.6929 0.0000 172.6173 92 R 4.0065 7.8685 119.1804 58.0575 30.3776 176.0776 93 R 4.7778 8.1493 116.7974 54.6120 33.8850 174.4260 94 L 4.9171 8.3209 122.4515 53.2795 45.0137 174.5405 95 L 5.1004 8.9985 127.5102 53.2609 45.0546 174.8906 96 V 4.8219 8.9867 126.7766 61.4880 33.5594 174.6923 97 S 4.9694 9.0682 121.5322 56.2850 67.2313 172.7855 98 L 4.6332 8.3569 119.9730 54.4247 42.2137 177.6868 99 S 4.3035 8.8343 119.5470 57.8952 63.9756 173.6581 100 P 4.2373 0.0000 0.0000 65.8651 30.9388 178.9127 101 A 4.0999 8.0227 119.0711 55.1053 18.3835 179.7370 102 G 3.5526 8.0274 103.7757 47.9963 0.0000 175.5599 103 R 3.8633 8.5138 121.4936 59.1433 30.0356 178.5001 104 A 4.0297 8.1531 120.5376 54.9716 18.4586 179.1610 105 E 3.9642 8.6705 118.3821 59.2356 29.5960 178.7109 106 L 3.9824 8.1522 120.3734 58.4884 41.9941 178.8545 107 E 4.1289 7.8542 116.6315 59.4631 29.4568 179.0766 108 A 4.2711 8.2122 120.1145 54.3851 18.6776 179.0458 109 G 3.7793 8.0845 102.5539 45.7230 0.0000 175.9395 110 L 4.2686 7.7433 120.3070 58.0016 41.6777 179.2142 111 A 3.9683 8.0336 119.9136 54.9909 18.3804 179.4216 112 A 3.7410 7.8208 118.5554 55.1574 18.6635 179.4035 113 A 3.7170 7.8960 119.5275 55.3453 18.3259 180.0204 114 R 3.9202 8.2802 116.7124 59.3572 30.1575 178.8904 115 E 3.8699 7.9926 118.9227 59.3939 29.5921 178.5824 116 I 3.5763 8.0228 120.1898 64.7181 37.0232 178.1593 117 N 4.5307 8.0268 116.6771 56.3884 38.2819 177.8403 118 R 4.0265 8.1296 116.3265 58.9939 29.3342 178.2854 119 Q 4.0790 8.1575 120.5410 58.8772 28.8578 177.7155 120 A 4.1841 8.3817 121.4161 54.2403 18.7186 178.5321 121 L 4.4877 7.5427 115.1800 54.3976 41.8741 178.0952 122 A 3.9934 7.3537 122.3955 54.9993 18.3123 177.5809 123 P 4.4562 0.0000 0.0000 63.8224 31.4647 176.1082 124 L 4.9536 7.5493 118.6489 52.0893 44.9061 177.2161 125 S 4.4013 8.7343 117.5331 58.1322 64.8428 175.6467 126 L 4.0321 8.3651 122.2360 58.0691 41.3396 179.7949 127 Q 4.0448 8.0321 117.5829 58.7084 28.7595 178.1222 128 E 4.0309 7.8710 118.4377 59.4254 29.4423 179.3591 129 Q 4.0198 8.0997 118.0950 58.5656 28.6213 178.1795 130 E 3.9523 7.8645 120.5272 59.4705 29.6907 179.0356 131 T 3.8473 7.9026 115.8271 66.5003 68.5532 176.4522 132 L 3.9269 8.0542 122.3167 58.1412 42.0553 178.9675 133 R 3.9660 8.1496 118.7701 59.3050 29.7996 178.6893 134 G 3.5902 7.6361 104.1742 47.7576 0.0000 175.3685 135 L 4.1545 7.8878 121.7039 57.6185 41.7371 179.7690 136 L 4.0024 8.5590 118.9272 57.6150 41.3526 179.4223 137 A 4.0566 8.2835 121.0483 54.9178 18.0836 178.9932 138 R 4.2994 7.5083 113.3204 56.9972 30.3594 177.5217 139 L 4.6723 7.4156 117.6874 54.1635 42.6584 176.3269 140 I 3.8548 7.4301 125.7987 61.7448 37.0273 175.7339 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 8 R 8.11 4.36 0.00 1.75 1.93 0.00 3.22 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 9 L 8.41 3.95 0.00 1.70 1.59 0.71 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.98 5.01 0.00 2.78 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 11 D 7.51 4.97 0.00 2.81 2.67 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 12 Q 8.22 4.28 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 13 I 8.49 3.83 1.89 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 1.58 0.87 0.93 0.00 0.00 14 G 8.17 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.33 4.47 0.00 3.04 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 16 I 7.84 3.43 1.98 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 1.44 0.55 0.85 0.00 0.00 17 L 8.35 3.93 0.00 1.90 1.72 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.36 3.88 0.00 1.90 2.13 0.00 3.16 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 19 Q 7.92 3.90 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.17 2.01 0.00 20 A 8.13 3.97 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 21 N 8.44 4.36 0.00 3.02 2.93 0.00 0.00 7.20 6.83 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 22 Q 8.14 4.08 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 23 R 8.39 3.89 0.00 1.86 2.11 0.00 3.10 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 24 Y 8.17 3.93 0.00 3.25 3.11 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 25 A 8.30 4.09 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.96 3.88 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 27 L 7.96 3.79 0.00 1.59 1.56 0.91 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.22 3.61 0.00 2.50 2.80 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 0.00 0.00 0.00 29 A 7.81 4.05 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 30 N 8.08 4.54 0.00 2.74 2.81 0.00 0.00 6.81 7.81 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 31 G 7.19 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 32 I 7.23 3.28 0.56 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.66 0.67 0.00 0.00 33 G 7.98 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 34 N 7.67 4.44 0.00 3.16 2.93 0.00 0.00 7.12 6.77 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 35 G 8.23 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 36 L 8.15 4.70 0.00 2.00 1.84 1.21 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.39 4.27 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 1.26 0.00 0.00 38 P 0.00 3.17 0.00 1.96 1.69 0.00 3.45 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 1.93 1.26 0.00 39 T 7.72 4.09 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 1.19 0.00 0.00 40 Q 7.93 4.06 0.00 2.36 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 41 W 8.53 4.31 0.00 3.79 3.43 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 0.00 0.00 0.00 0.00 42 A 8.16 3.91 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 43 A 7.99 3.86 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 44 L 7.62 3.73 0.00 1.89 1.46 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.30 3.17 1.86 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 0.74 0.00 0.00 -0.01 0.00 0.00 46 R 8.09 3.96 0.00 1.97 1.99 0.00 3.17 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 47 L 7.65 4.18 0.00 1.80 1.65 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.72 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 0.00 0.00 0.00 49 E 7.92 4.21 0.00 2.14 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 2.36 2.39 0.00 50 T 7.89 4.29 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 1.22 0.00 0.00 51 G 8.11 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 52 P 0.00 4.61 0.00 1.94 2.01 0.00 3.63 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 53 C 8.94 4.77 0.00 3.10 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 54 P 0.00 5.03 0.00 2.10 1.97 0.00 3.94 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.93 0.00 55 Q 9.13 3.92 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 56 N 8.09 4.48 0.00 2.77 2.84 0.00 0.00 6.72 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 57 Q 8.01 3.95 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 58 L 8.05 4.03 0.00 1.63 1.89 0.88 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.86 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 0.00 0.00 0.00 60 R 7.86 4.01 0.00 1.93 2.00 0.00 3.15 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 61 L 7.63 4.42 0.00 1.78 1.69 0.90 0.81 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 62 T 7.44 4.46 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 1.19 0.00 0.00 63 A 8.04 3.46 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 *65 D 7.79 4.43 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 4.11 1.36 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 0.00 0.00 0.00 67 A 7.85 3.91 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 68 T 7.84 3.79 4.30 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 0.00 0.00 0.00 1.21 0.00 0.00 69 I 8.33 3.70 1.91 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 1.61 1.49 1.07 0.00 0.00 70 K 7.60 4.17 0.00 2.03 1.95 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.33 7.81 71 G 8.26 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 72 V 7.56 3.71 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 0.82 0.00 0.00 0.93 0.00 0.00 73 V 8.13 3.57 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 0.99 0.00 0.00 0.95 0.00 0.00 74 E 8.40 3.92 0.00 2.34 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 2.31 2.36 0.00 75 R 7.99 4.00 0.00 2.20 1.99 0.00 3.24 0.00 0.00 3.32 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 76 L 8.24 4.16 0.00 2.01 1.72 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.11 4.30 0.00 2.95 2.81 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 0.00 0.00 0.00 78 K 7.99 4.25 0.00 1.89 1.99 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.49 7.81 79 R 6.97 4.48 0.00 1.99 1.91 0.00 3.35 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 80 G 8.34 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 81 L 8.14 4.68 0.00 1.63 1.73 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.72 5.28 1.93 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 0.54 0.93 0.00 0.00 83 Q 9.06 4.69 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 84 R 8.59 5.25 0.00 1.70 1.87 0.00 3.20 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 85 S 8.96 4.76 0.00 3.83 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 86 A 8.50 4.47 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 87 D 9.06 4.48 0.00 2.78 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 88 P 0.00 4.31 0.00 2.21 2.17 0.00 3.80 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 1.98 1.98 0.00 89 D 8.11 4.56 0.00 2.80 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 90 D 8.01 4.50 0.00 2.56 2.49 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 91 G 8.50 3.71 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 0.00 0.00 0.00 92 R 7.87 4.01 0.00 1.79 2.05 0.00 3.22 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 93 R 8.15 4.78 0.00 1.89 1.77 0.00 3.38 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 94 L 8.32 4.92 0.00 1.74 1.48 0.94 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 95 L 9.00 5.10 0.00 1.92 1.45 0.94 0.78 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 96 V 8.99 4.82 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 0.91 0.00 0.00 0.92 0.00 0.00 97 S 9.07 4.97 0.00 3.83 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 98 L 8.36 4.63 0.00 1.51 1.62 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.83 4.30 0.00 3.91 3.86 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 0.00 100 P 0.00 4.24 0.00 2.15 2.11 0.00 3.60 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 2.12 2.16 0.00 101 A 8.02 4.10 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 0.00 102 G 8.03 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.51 3.86 0.00 1.92 2.20 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 104 A 8.15 4.03 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 0.00 105 E 8.67 3.96 0.00 2.22 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 0.00 2.45 2.57 0.00 106 L 8.15 3.98 0.00 1.78 1.86 0.41 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 107 E 7.85 4.13 0.00 1.98 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 0.00 2.58 2.50 0.00 108 A 8.21 4.27 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 0.00 109 G 8.08 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 0.00 0.00 0.00 110 L 7.74 4.27 0.00 1.85 1.86 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.03 3.97 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 0.00 112 A 7.82 3.74 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 0.00 113 A 7.90 3.72 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 0.00 114 R 8.28 3.92 0.00 2.03 2.02 0.00 3.16 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 1.71 1.88 0.00 115 E 7.99 3.87 0.00 2.13 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 2.24 2.33 0.00 116 I 8.02 3.58 1.92 0.00 0.00 0.15 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 0.46 0.69 0.00 0.00 117 N 8.03 4.53 0.00 3.07 2.95 0.00 0.00 6.81 7.23 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 0.00 118 R 8.13 4.03 0.00 1.96 2.08 0.00 3.06 0.00 0.00 3.35 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 119 Q 8.16 4.08 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 120 A 8.38 4.18 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.54 4.49 0.00 1.68 1.70 1.05 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.35 3.99 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 0.00 123 P 0.00 4.46 0.00 2.05 2.11 0.00 3.57 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 2.11 0.00 124 L 7.55 4.95 0.00 1.79 1.53 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.73 4.40 0.00 4.06 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 0.00 126 L 8.37 4.03 0.00 1.71 1.77 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.03 4.04 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 128 E 7.87 4.03 0.00 2.29 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 2.35 0.00 129 Q 8.10 4.02 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 130 E 7.86 3.95 0.00 2.06 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 2.31 2.39 0.00 131 T 7.90 3.85 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 1.21 0.00 0.00 132 L 8.05 3.93 0.00 1.83 1.71 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.15 3.97 0.00 2.12 1.91 0.00 3.15 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 1.62 1.64 0.00 134 G 7.64 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 0.00 0.00 0.00 135 L 7.89 4.15 0.00 2.02 1.72 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.56 4.00 0.00 1.86 1.69 0.89 0.73 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 0.00 137 A 8.28 4.06 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 0.00 138 R 7.51 4.30 0.00 1.96 1.98 0.00 3.11 0.00 0.00 3.33 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 139 L 7.42 4.67 0.00 1.70 1.64 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.43 3.85 2.08 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 1.13 0.44 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.