NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 F 5.2861 8.1833 119.4411 56.7019 40.4425 174.3526 6 P 4.6648 0.0000 0.0000 60.7593 32.0475 174.9060 7 T 4.5550 8.7734 110.9539 62.1059 72.0287 173.6246 8 R 5.0175 7.9860 122.9496 54.5595 32.8922 174.0307 9 V 4.4961 8.5007 126.9143 61.4652 33.9866 173.9571 10 Y 5.1834 9.1306 125.0029 56.1470 41.1287 174.3685 11 L 4.5592 8.6658 124.3831 52.8887 44.2905 175.2118 12 L 5.2679 9.1328 127.6339 51.9680 44.3485 175.4405 13 R 4.5701 8.7584 128.0545 56.0246 31.4754 175.2490 14 H 4.3093 8.6633 121.5154 56.2088 29.6403 174.7757 15 A 4.5939 8.5984 122.4891 50.8709 20.1279 176.6482 16 K 3.8574 8.7708 119.1032 57.6230 32.7830 175.6530 17 A 4.9423 8.6444 128.8646 50.6396 20.1863 176.5006 18 A 4.1260 9.1711 123.4218 51.5103 19.3061 177.8686 19 W 4.5209 8.3474 118.5931 56.0075 29.8970 176.6297 20 A 4.0633 8.7429 123.4588 52.6759 18.1750 176.9940 21 A 4.8059 8.3937 124.6847 49.1709 21.5753 173.9440 22 P 4.2710 0.0000 0.0000 64.2820 31.8241 176.3026 23 G 4.1759 8.9994 111.9026 45.5526 0.0000 173.5075 24 E 4.2362 7.4412 119.4277 55.4574 30.4792 176.3074 25 R 4.2622 8.3837 124.2981 55.6189 31.3044 176.9575 26 D 4.3864 9.0433 121.4720 57.5360 41.5393 178.4349 27 F 3.7348 8.3662 120.4352 60.8645 39.3841 175.7049 28 D 4.4686 8.0592 118.1816 54.7257 41.0457 176.5572 29 R 3.9405 7.7712 120.2848 56.4770 30.4395 176.5233 30 G 4.1974 8.2233 112.7456 44.5795 0.0000 172.1437 31 L 4.3867 8.7909 121.0731 54.5741 42.4115 178.3370 32 N 4.5822 8.5415 120.9646 51.7514 40.0883 175.7808 33 E 4.0452 8.6876 118.5966 59.8705 29.4357 179.0503 34 A 4.0831 8.1907 120.0249 55.4634 18.3958 179.2706 35 G 3.8222 8.1414 103.2224 48.3433 0.0000 175.3707 36 F 4.3559 8.1605 120.2957 59.9905 38.9430 177.2668 37 A 4.0527 7.8954 120.0721 55.8068 17.9060 179.5980 38 E 3.9256 8.4723 116.1795 59.3062 29.4650 179.7755 39 A 4.1482 7.9889 120.8372 55.1694 18.6930 179.0761 40 E 3.8632 8.4041 117.9784 59.6509 29.6569 179.0644 41 I 3.6653 8.0163 119.8339 64.6034 37.0504 178.4631 42 I 3.8758 7.6195 119.9906 63.7709 36.9466 178.3956 43 A 2.5800 7.7776 121.8306 54.4941 17.9740 179.1754 44 D 3.9402 7.5139 117.1640 57.5515 41.0099 178.7489 45 L 3.7793 7.6720 120.2687 58.2716 41.8221 178.8952 46 A 4.1568 7.4838 120.0928 54.5196 18.4954 179.1174 47 A 3.7434 7.7789 119.7696 55.4922 18.0399 179.2226 48 D 4.2785 7.6153 115.9369 57.7322 41.0126 178.9785 49 R 4.0995 7.1817 114.1531 54.9411 30.4271 176.5406 50 R 3.9411 7.7819 116.5918 57.7505 28.1711 177.6055 51 Y 5.0086 8.4059 115.8112 55.6939 36.6172 173.8488 52 R 3.8947 7.9552 120.9190 53.2859 32.3083 173.7831 53 P 5.3755 0.0000 0.0000 61.1986 33.2952 175.6577 54 D 4.4896 8.6372 119.0909 56.6242 41.9489 176.5020 55 L 5.0027 7.7141 119.8980 53.1825 45.4731 174.9236 56 I 4.2463 8.7182 127.6522 59.7247 39.2398 174.4445 57 L 4.9681 8.1966 126.9516 52.9622 44.0731 175.3549 58 S 4.8617 8.5151 118.2890 55.9844 65.6061 173.3928 59 S 5.0512 8.8477 121.8107 58.5533 62.7680 174.0558 60 T 4.3169 8.7858 112.1819 62.1095 70.1065 174.7948 61 A 3.2297 7.5280 124.9602 51.9310 20.1230 177.7498 62 A 3.6920 8.2161 125.5267 55.4859 18.3675 180.8239 63 R 3.8400 7.6099 113.6743 59.4617 29.8787 178.6867 64 C 4.1662 7.8643 116.9680 62.3588 28.1625 176.0197 65 R 4.0388 7.8195 119.2263 59.4400 29.7312 178.7256 66 Q 4.1572 8.0088 117.7101 59.6126 28.9307 179.6617 67 T 3.9613 8.0392 116.0967 67.2418 68.6520 176.8954 68 T 3.9767 8.4577 117.7749 66.7027 68.3576 176.7227 69 Q 4.0997 8.3233 120.0448 58.7098 28.8207 177.9958 70 A 4.0844 8.1394 121.9593 55.4859 18.1623 179.8674 71 W 4.1307 7.9115 114.7590 59.9297 29.2380 178.2682 72 Q 4.2724 8.0490 118.1412 59.3488 28.6540 178.2850 73 R 4.0802 8.1957 118.9000 59.1322 29.9503 178.6458 74 A 3.9508 7.6277 118.3647 52.3724 18.5805 176.7663 75 F 4.7661 8.2032 114.6541 57.2070 40.2670 177.8005 *79 I 3.8547 8.7260 125.3573 61.1595 38.4369 174.0481 80 D 4.3641 8.5133 127.6660 54.5800 42.1270 174.8461 81 I 4.7353 8.3519 126.8923 59.4471 39.5938 175.1633 82 V 4.3132 8.2870 127.0290 61.1704 34.4302 173.6327 83 Y 5.0010 8.7723 125.6651 56.8521 39.1447 174.9266 84 I 4.3923 8.7209 126.5563 59.3703 38.7120 176.4897 85 D 4.9750 9.0558 127.0471 56.7608 41.7776 176.6966 86 E 4.1312 7.8789 120.4205 55.6104 28.4030 176.7116 *88 Y 4.3725 7.4777 118.9268 58.4729 40.1000 173.7164 89 N 3.8212 8.4343 125.6870 54.0868 35.0175 173.3922 90 A 4.7697 7.2608 119.9390 50.0335 22.9282 176.5772 91 R 4.1490 8.0638 118.3629 55.2142 31.6217 177.8065 92 S 3.8333 8.6052 114.6353 61.8392 62.2662 176.4261 93 E 3.9190 8.1953 120.5518 60.2280 29.3733 179.7760 94 T 3.9966 7.9027 115.2147 66.7972 68.0782 176.5538 95 Y 4.2901 7.9703 118.3664 60.9453 38.0722 177.9145 96 L 3.8669 8.1519 120.0544 57.8545 41.5642 179.7292 97 S 4.2054 8.1072 114.9327 61.5476 62.5518 176.6663 98 L 4.0979 7.7274 120.1044 57.1664 41.4029 179.2618 99 I 3.9309 7.3015 119.8253 64.0834 37.1668 178.0505 100 A 4.0846 7.8047 119.8674 55.0842 18.2371 179.1970 101 A 4.1632 7.7332 118.6571 54.1726 20.0247 178.3802 102 Q 4.3640 7.6524 119.1555 55.0896 27.1902 176.2697 103 T 4.6662 7.7320 106.4911 61.7613 69.8908 176.0624 104 E 4.7456 8.1645 120.3875 56.1022 30.3553 175.2121 105 V 4.2362 7.5624 120.0258 60.8401 33.5347 175.9707 106 Q 2.6957 8.3198 128.9178 58.0442 30.1198 175.6252 107 S 5.3218 9.8718 114.0776 56.6461 66.3859 173.8255 108 V 5.1553 7.9855 120.6397 59.2604 35.1861 173.3040 *110 L 4.1751 8.3253 118.3419 54.9814 43.4190 176.1422 111 V 4.5665 8.1675 124.0093 61.5730 33.4317 173.1852 112 G 4.1824 8.8375 119.6539 46.6266 0.0000 171.1416 113 H 5.3740 8.8345 120.8549 53.8765 32.0693 173.3274 114 N 4.7395 8.4009 118.8246 51.8098 39.5830 174.1259 115 P 4.3272 0.0000 0.0000 65.4578 31.8630 178.2732 116 T 3.1732 7.8145 116.8031 65.0054 69.1664 174.5841 *118 E 4.3527 8.2617 124.1770 56.1837 31.3927 177.5602 119 A 4.0073 7.9231 119.6987 55.5282 18.6031 179.5031 120 T 3.8783 7.9290 114.0173 66.6278 68.3763 176.2854 121 L 3.9418 7.9862 120.6931 58.6905 42.3241 178.5289 122 E 4.1534 8.3826 118.4281 58.7848 29.2140 178.4247 123 A 3.9449 7.5779 117.4231 52.9593 18.1436 178.0773 *125 I 4.0472 7.7738 115.1162 60.7911 39.7170 176.7404 126 G 4.0720 7.9164 106.6157 44.8770 0.0000 174.1534 127 E 3.9501 8.6598 117.4198 59.4926 29.5102 179.1667 128 D 4.3176 7.9634 119.3570 56.9895 41.1214 178.1884 129 L 4.1090 7.8563 120.0266 57.2286 41.9335 178.5607 130 L 3.9222 7.7344 120.3247 58.6834 41.9867 178.6614 131 H 4.4506 8.6227 117.2393 58.2669 28.3832 177.7296 132 A 4.0037 7.8947 121.5092 54.4542 18.2833 179.2829 133 A 4.2830 7.6655 118.2082 53.5972 19.8209 178.0250 134 L 4.2796 9.1238 121.0904 52.1319 41.6236 175.7840 135 P 4.4367 0.0000 0.0000 64.7306 31.6570 178.2908 136 S 4.5256 7.6382 110.2692 58.5618 63.5049 173.1845 137 G 3.8528 7.9687 106.8485 45.7492 0.0000 172.9801 138 F 4.4025 8.7482 123.4285 55.8457 39.4838 174.7577 139 P 4.7305 0.0000 0.0000 61.7488 32.4194 175.7853 140 T 4.1694 8.3392 109.5280 63.0965 69.0890 173.7133 141 S 4.0153 8.0806 116.6846 58.2456 61.6697 172.0568 142 G 4.0749 8.3818 105.5293 45.4323 0.0000 173.3635 143 L 5.0285 8.7513 125.0869 52.9556 45.0759 174.8481 144 A 4.0786 8.6500 129.6668 50.3134 20.8235 175.6033 145 V 4.2531 8.1284 123.1922 61.1569 33.6959 174.4332 146 L 5.3301 8.3278 127.9679 53.0815 44.9671 175.3148 147 D 5.3964 9.2122 123.9556 52.5479 42.9797 175.8026 148 Q 2.7804 8.9903 124.2966 56.0354 29.5472 177.5021 *158 R 4.1664 8.2417 124.4382 55.2548 31.5963 176.0295 159 W 4.4336 8.1989 116.5391 57.3174 29.9982 175.9610 160 R 4.5985 9.0934 122.2375 54.1830 32.1657 174.3424 161 L 4.5114 8.7748 129.4590 55.7004 41.8703 176.1940 162 I 4.2373 9.0869 129.0977 63.5623 38.6195 175.2616 163 D 4.6319 7.7829 119.0620 53.8962 44.9493 174.4081 164 F 4.6358 8.6200 123.3081 57.2231 41.7274 173.1918 165 L 4.8979 8.4224 126.6249 53.8969 43.8590 175.6811 166 A 4.7959 8.1144 119.9010 50.6828 22.0523 174.7879 167 P 4.4112 0.0000 0.0000 62.8804 31.4886 176.6387 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 5 F 8.18 5.29 0.00 3.23 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 6 P 0.00 4.66 0.00 2.27 2.14 0.00 3.91 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.37 0.00 7 T 8.77 4.55 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 1.53 0.00 0.00 8 R 7.99 5.02 0.00 1.87 1.74 0.00 2.49 0.00 0.00 2.79 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.92 0.00 9 V 8.50 4.50 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 0.54 0.00 0.00 0.59 0.00 0.00 10 Y 9.13 5.18 0.00 2.75 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 11 L 8.67 4.56 0.00 1.77 1.53 0.92 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 12 L 9.13 5.27 0.00 1.27 1.30 1.04 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.76 4.57 0.00 1.84 2.07 0.00 3.39 0.00 0.00 3.82 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 14 H 8.66 4.31 0.00 3.30 3.42 0.00 5.51 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 15 A 8.60 4.59 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 16 K 8.77 3.86 0.00 1.95 1.77 0.00 1.69 0.00 0.00 1.96 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.65 7.81 17 A 8.64 4.94 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 18 A 9.17 4.13 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 0.00 0.00 0.00 0.00 0.00 19 W 8.35 4.52 0.00 3.38 3.01 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 0.00 0.00 0.00 20 A 8.74 4.06 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 21 A 8.39 4.81 1.27 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 0.00 0.00 22 P 0.00 4.27 0.00 2.07 2.05 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 23 G 9.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.44 4.24 0.00 1.96 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 2.31 0.00 25 R 8.38 4.26 0.00 2.04 1.90 0.00 3.23 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 26 D 9.04 4.39 0.00 2.86 2.90 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 27 F 8.37 3.73 0.00 2.82 2.94 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 0.00 0.00 0.00 28 D 8.06 4.47 0.00 2.89 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 29 R 7.77 3.94 0.00 1.87 1.86 0.00 3.19 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 30 G 8.22 4.20 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 0.00 31 L 8.79 4.39 0.00 0.27 1.01 0.85 0.06 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 32 N 8.54 4.58 0.00 2.84 2.83 0.00 0.00 6.93 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 33 E 8.69 4.05 0.00 2.03 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 2.46 2.39 0.00 34 A 8.19 4.08 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.14 3.82 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 0.00 0.00 0.00 36 F 8.16 4.36 0.00 3.11 2.97 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 37 A 7.90 4.05 1.45 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 38 E 8.47 3.93 0.00 2.06 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 2.75 2.45 0.00 39 A 7.99 4.15 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 40 E 8.40 3.86 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 41 I 8.02 3.67 1.99 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 1.53 0.30 0.92 0.00 0.00 42 I 7.62 3.88 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 1.20 0.00 0.00 43 A 7.78 2.58 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.51 3.94 0.00 2.85 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 45 L 7.67 3.78 0.00 1.73 1.79 0.89 1.37 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 46 A 7.48 4.16 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 47 A 7.78 3.74 0.46 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 48 D 7.62 4.28 0.00 2.70 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 49 R 7.18 4.10 0.00 1.05 1.12 0.00 3.31 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 50 R 7.78 3.94 0.00 1.94 2.05 0.00 3.34 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 51 Y 8.41 5.01 0.00 3.20 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 52 R 7.96 3.89 0.00 1.51 1.74 0.00 3.25 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.02 0.00 53 P 0.00 5.38 0.00 2.30 2.07 0.00 3.05 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.56 0.00 54 D 8.64 4.49 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.71 5.00 0.00 1.66 1.40 0.92 0.95 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 56 I 8.72 4.25 1.65 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.40 0.63 0.00 0.00 57 L 8.20 4.97 0.00 1.39 1.40 0.83 0.63 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 58 S 8.52 4.86 0.00 3.50 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.85 5.05 0.00 4.15 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 60 T 8.79 4.32 4.51 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 1.41 0.00 0.00 61 A 7.53 3.23 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.22 3.69 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.61 3.84 0.00 1.90 2.09 0.00 2.73 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 64 C 7.86 4.17 0.00 2.98 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 65 R 7.82 4.04 0.00 1.97 1.87 0.00 2.88 0.00 0.00 2.78 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.61 0.00 66 Q 8.01 4.16 0.00 2.34 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.68 2.57 0.00 67 T 8.04 3.96 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 1.31 0.00 0.00 68 T 8.46 3.98 4.58 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 1.14 0.00 0.00 69 Q 8.32 4.10 0.00 2.43 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.65 0.00 70 A 8.14 4.08 1.60 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 71 W 7.91 4.13 0.00 3.56 3.51 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 72 Q 8.05 4.27 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 73 R 8.20 4.08 0.00 1.94 1.95 0.00 3.17 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 1.66 1.68 0.00 74 A 7.63 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.20 4.77 0.00 3.05 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 0.00 0.00 0.00 *79 I 8.73 3.85 1.80 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 1.25 0.55 0.81 0.00 0.00 80 D 8.51 4.36 0.00 2.74 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 81 I 8.35 4.74 1.79 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 1.21 0.83 0.40 0.00 0.00 82 V 8.29 4.31 1.97 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 0.94 0.00 0.00 0.90 0.00 0.00 83 Y 8.77 5.00 0.00 2.90 2.91 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 84 I 8.72 4.39 1.88 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 1.08 0.99 0.98 0.00 0.00 85 D 9.06 4.98 0.00 2.71 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 86 E 7.88 4.13 0.00 2.00 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 2.41 0.00 *88 Y 7.48 4.37 0.00 3.09 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 89 N 8.43 3.82 0.00 2.57 2.62 0.00 0.00 6.90 7.35 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 90 A 7.26 4.77 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 91 R 8.06 4.15 0.00 1.82 1.76 0.00 3.27 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 92 S 8.61 3.83 0.00 3.77 3.82 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 93 E 8.20 3.92 0.00 2.01 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 2.41 2.43 0.00 94 T 7.90 4.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 95 Y 7.97 4.29 0.00 3.00 2.90 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 96 L 8.15 3.87 0.00 1.85 1.75 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.11 4.21 0.00 4.10 3.94 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 0.00 0.00 0.00 98 L 7.73 4.10 0.00 1.76 1.66 0.84 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 99 I 7.30 3.93 2.07 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.70 0.91 0.00 0.00 100 A 7.80 4.08 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 0.00 101 A 7.73 4.16 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.65 4.36 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.41 0.00 103 T 7.73 4.67 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 1.30 0.00 0.00 104 E 8.16 4.75 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 2.28 2.30 0.00 105 V 7.56 4.24 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 0.91 0.00 0.00 0.91 0.00 0.00 106 Q 8.32 2.70 0.00 1.07 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.63 0.00 0.00 0.00 0.00 0.00 2.20 1.86 0.00 107 S 9.87 5.32 0.00 4.01 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 0.00 108 V 7.99 5.16 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 1.06 0.00 0.00 0.90 0.00 0.00 *110 L 8.33 4.18 0.00 1.44 1.30 0.76 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.17 4.57 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 0.84 0.00 0.00 0.56 0.00 0.00 112 G 8.84 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.83 5.37 0.00 3.09 3.31 0.00 5.67 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 0.00 114 N 8.40 4.74 0.00 2.72 2.74 0.00 0.00 6.97 8.02 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 0.00 115 P 0.00 4.33 0.00 2.16 2.27 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 116 T 7.81 3.17 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 -0.04 0.00 0.00 *118 E 8.26 4.35 0.00 2.07 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 2.42 2.66 0.00 119 A 7.92 4.01 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 0.00 120 T 7.93 3.88 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 0.00 121 L 7.99 3.94 0.00 1.82 2.07 1.12 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.38 4.15 0.00 2.23 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 2.33 0.00 123 A 7.58 3.94 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 *125 I 7.77 4.05 1.94 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 1.68 0.70 1.02 0.00 0.00 126 G 7.92 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.66 3.95 0.00 2.09 2.43 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 2.34 2.37 0.00 128 D 7.96 4.32 0.00 2.71 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 0.00 129 L 7.86 4.11 0.00 1.70 1.68 0.97 0.56 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 0.00 130 L 7.73 3.92 0.00 1.96 1.91 0.98 1.49 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 0.00 131 H 8.62 4.45 0.00 3.34 3.33 0.00 5.87 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.89 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 7.67 4.28 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 0.00 134 L 9.12 4.28 0.00 1.66 1.50 0.58 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.44 0.00 1.98 2.05 0.00 3.61 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 136 S 7.64 4.53 0.00 3.95 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 0.00 137 G 7.97 3.85 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 0.00 0.00 0.00 138 F 8.75 4.40 0.00 3.10 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.73 0.00 2.43 2.21 0.00 3.53 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 2.12 2.03 0.00 140 T 8.34 4.17 4.35 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 1.27 0.00 0.00 141 S 8.08 4.02 0.00 4.13 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 0.00 142 G 8.38 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.75 5.03 0.00 1.83 1.49 0.89 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.65 4.08 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 0.00 145 V 8.13 4.25 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 0.46 0.00 0.00 0.59 0.00 0.00 146 L 8.33 5.33 0.00 1.45 1.68 0.74 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 147 D 9.21 5.40 0.00 2.70 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 0.00 148 Q 8.99 2.78 0.00 1.80 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.23 0.00 0.00 0.00 0.00 0.00 1.96 1.62 0.00 *158 R 8.24 4.17 0.00 1.72 1.88 0.00 3.23 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 159 W 8.20 4.43 0.00 3.31 3.17 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 0.00 0.00 0.00 0.00 160 R 9.09 4.60 0.00 1.88 1.82 0.00 3.11 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 161 L 8.77 4.51 0.00 1.76 1.66 1.12 1.20 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 0.00 162 I 9.09 4.24 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.89 1.00 0.00 0.00 163 D 7.78 4.63 0.00 2.84 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 0.00 164 F 8.62 4.64 0.00 3.06 2.84 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 0.00 165 L 8.42 4.90 0.00 1.72 1.65 1.08 0.60 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 0.00 166 A 8.11 4.80 1.30 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 0.00 0.00 0.00 167 P 0.00 4.41 0.00 2.11 2.03 0.00 3.79 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 2.19 2.16 0.00 * Residues marked with a * may have inaccurate shift predictions.