NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4461 8.1814 115.4143 58.3087 65.4439 175.4791 3 G 3.5632 8.2281 108.0815 47.6147 0.0000 174.6618 4 F 4.1608 9.5412 121.9107 59.8923 39.4554 176.0737 5 L 3.9032 7.9702 118.0914 57.8097 41.4674 179.0607 6 E 4.0028 8.6799 119.9142 59.2396 29.4950 178.8493 7 Q 4.0046 8.1503 117.8510 59.1674 28.5652 178.7702 8 R 3.9232 8.0474 119.9720 58.9584 30.0354 178.6473 9 L 4.1292 8.0718 120.1666 58.2707 42.1350 179.1160 10 G 3.6928 8.2660 105.6413 48.2162 0.0000 175.1066 11 H 4.3387 8.5404 120.7204 58.9919 29.6679 176.8665 12 C 4.1639 8.1586 119.6480 62.5951 31.5564 175.0932 13 L 4.2001 8.0194 119.2950 58.1526 41.4788 179.5958 14 R 4.1890 8.1732 117.7419 59.1614 30.0604 179.6576 15 Q 4.2411 8.2642 114.6945 56.5077 28.5398 178.1492 *17 A 4.2714 7.9273 124.8637 52.2820 20.4866 179.4272 18 E 3.9425 8.4908 115.5428 59.0605 29.6291 177.7487 19 K 4.3103 8.0052 114.6881 55.6543 32.4584 176.7258 20 G 3.7912 7.7664 106.7729 46.3220 0.0000 173.6456 21 L 4.3271 7.9253 121.9760 53.4384 42.0389 176.2147 22 E 4.1349 8.7488 126.4713 58.7485 30.0790 176.9937 23 A 4.9133 7.4693 118.8786 50.4036 23.0425 174.8504 24 L 4.9359 9.2495 122.9844 53.1186 45.7643 174.7738 25 L 5.0375 9.4621 129.3387 53.5689 44.0872 174.8839 26 V 4.5651 9.2712 127.5491 61.3597 33.3606 175.7291 27 T 4.6478 9.3180 116.6670 60.9565 69.6839 173.5990 28 H 4.7706 8.0402 119.6020 53.6399 32.0925 174.0969 29 L 4.0218 8.4720 128.4480 58.1566 41.9062 179.3849 30 T 4.0054 8.0549 114.7112 66.8352 68.4266 175.8645 31 N 4.6152 8.1637 117.6590 55.7291 38.8943 177.5667 32 S 4.2179 8.3549 115.9133 61.4847 63.0726 175.9824 33 Y 4.3926 8.5453 124.9348 60.0911 38.3540 177.0500 34 Y 3.9978 7.8448 119.1259 60.9961 38.9244 177.9776 35 L 4.2307 7.8289 117.4259 56.2961 42.0842 178.1525 36 T 4.2840 7.7105 107.0924 60.0487 70.2407 175.2812 37 G 3.4984 8.0450 109.1512 45.4637 0.0000 172.9704 38 F 4.5908 8.3130 123.6374 57.2886 39.9091 176.1798 39 S 4.4419 7.9506 121.5917 58.4129 63.8610 174.6346 40 G 3.1672 5.8235 110.5614 45.0014 0.0000 174.1623 41 T 3.9341 8.2410 111.7858 63.6569 69.4596 175.5662 42 A 4.2323 7.5516 125.8333 50.7504 16.5380 175.0214 43 A 4.5036 7.6965 120.1765 50.7773 21.9086 176.2776 44 T 4.4309 9.1285 120.4454 62.7625 70.8295 173.9757 45 V 4.6960 8.7457 128.0178 61.2140 33.7381 174.1884 46 L 5.1947 8.8177 129.8704 53.3778 44.6994 174.8204 47 I 5.1965 8.7857 127.1985 59.7847 39.6650 174.8506 48 T 5.0416 8.8638 115.6076 59.5117 72.3447 174.5238 49 A 4.2457 8.8654 123.9771 54.9134 18.3147 178.7553 50 K 4.3382 7.4112 113.8060 56.9675 33.3819 177.2039 51 R 4.6016 8.1352 117.3275 54.0969 33.3498 174.3524 52 R 4.8259 8.2716 119.7740 54.3838 33.5719 174.4412 53 V 4.9811 8.8833 123.6011 60.9076 35.6378 173.9663 54 L 5.0439 9.2458 128.5657 53.4645 44.9071 174.8951 55 I 4.8799 8.6546 128.1600 60.5601 39.2828 175.2227 56 T 4.8251 8.6968 120.5321 61.1955 71.6397 171.2495 57 D 5.3718 8.6264 121.3744 51.2189 42.2698 177.4041 58 S 4.4314 8.6816 111.7568 60.5440 63.1490 175.6451 59 R 3.9205 7.9652 119.7889 58.8502 29.9261 177.3775 60 Y 4.8261 8.3595 113.3005 57.8972 39.0517 177.7492 61 T 3.9163 8.0828 117.3725 66.7864 68.5800 175.9453 62 L 4.0358 7.9005 119.9336 57.6844 41.7946 179.0318 63 L 3.9881 8.0735 119.4800 58.1968 42.1108 178.4741 64 A 4.0106 8.3300 120.6486 55.4012 18.0560 179.7055 65 K 3.9060 8.0757 115.2992 59.6701 32.1843 179.1500 66 A 4.2258 7.9854 120.2760 53.9151 18.4484 178.1690 67 S 4.5246 8.1148 109.6458 57.9436 64.9911 174.1901 68 V 4.1037 7.7657 121.3119 61.2992 31.4940 174.6502 69 E 4.4009 8.7798 127.5066 56.4538 30.5424 176.6909 70 G 3.9350 9.0613 110.5798 45.6608 0.0000 172.6532 71 F 4.8566 7.9035 116.8142 55.0997 42.2654 174.6916 72 D 4.5499 9.3249 124.2413 54.4890 41.8492 175.2346 73 I 4.8724 8.3429 124.1339 59.9424 39.0353 175.1013 74 I 4.5467 8.4534 127.2509 59.3810 40.5916 174.0148 75 E 4.9198 8.8038 128.3684 55.4572 30.3099 175.1789 76 S 4.6531 9.1027 120.1639 57.7439 65.6975 174.8041 77 R 4.4172 8.8618 124.3243 56.9172 30.9962 177.0150 78 T 4.6732 7.9873 109.0065 58.0659 68.4159 172.5658 79 P 4.2993 0.0000 0.0000 66.8503 31.5870 178.5234 80 L 3.9850 7.8767 117.8406 57.1353 41.5595 179.2863 81 K 3.9956 7.9782 118.9046 59.0974 31.9904 179.5373 82 V 3.5456 7.5830 118.1978 65.8891 31.6030 177.8611 83 V 3.5747 8.0210 118.0200 66.1056 31.2005 177.8732 84 A 3.9498 8.0853 120.2012 55.1294 18.1706 179.2344 85 E 3.8886 8.0414 117.0481 59.6749 29.6032 179.7281 86 L 3.9646 7.9603 118.6165 57.9268 41.6637 179.6945 87 L 4.0105 8.0153 118.8866 57.4799 41.4988 179.0710 88 E 3.8509 8.5191 119.4706 59.3090 29.3879 178.4659 89 A 3.9958 7.8339 119.3468 55.3384 18.5329 178.5797 90 D 4.5399 7.9385 113.2821 53.3767 41.7642 176.3568 91 Q 3.4639 7.7728 117.5752 56.9914 26.6901 173.7826 92 I 4.3619 7.9214 118.2076 60.0548 38.7686 175.8199 93 D 4.9994 8.2636 120.1235 53.0928 40.7144 175.0206 94 C 5.3663 8.0810 115.8908 58.1746 31.6548 173.1546 95 L 4.6739 9.2088 124.1054 53.2764 45.1033 175.7112 96 G 4.1955 9.1596 114.7438 46.1815 0.0000 172.3336 97 F 5.6825 8.3936 116.8277 54.0502 42.5719 173.1221 98 E 4.6613 8.9068 118.8661 55.5946 30.5092 177.4693 99 D 4.5401 8.9599 122.7803 54.7230 39.7078 177.5793 100 Q 4.2633 7.7818 118.0343 56.7059 29.3140 176.5445 101 V 3.8657 7.5544 111.9717 61.3383 32.4452 176.8823 102 S 4.4853 8.5144 117.4488 58.1822 65.0064 175.0242 103 F 4.0291 9.0262 125.1454 61.7241 39.0904 177.6116 104 S 4.3937 8.3210 113.3240 61.4627 62.5005 176.2018 105 F 4.0692 8.0337 123.5600 60.9969 39.2354 176.1827 106 Y 3.8764 7.8988 118.3020 60.7701 38.7869 177.9141 107 Q 3.9494 8.1366 118.9723 58.5787 28.7587 179.4381 108 A 3.9367 7.5483 119.4610 52.6747 18.2140 179.2137 *110 Q 3.8502 8.0636 120.8643 57.3503 30.7517 176.9016 111 A 4.0200 7.8394 119.6293 54.9229 18.4715 178.3434 112 E 4.1522 7.9041 113.7632 57.5465 30.8754 177.2329 113 L 4.5921 7.2313 119.8460 53.1932 41.2146 176.5411 114 S 4.2087 7.5150 113.2875 59.6957 63.8176 175.5401 115 G 3.8867 8.8641 111.5924 45.4308 0.0000 172.5917 116 I 4.5837 7.2306 120.5461 59.6502 39.0057 175.7457 117 T 4.1355 8.7841 124.4698 63.4819 69.5760 173.4191 118 L 5.1958 8.6585 126.5318 53.2298 43.7886 175.9482 119 L 4.7801 9.1782 125.1510 52.5461 43.8551 175.9341 120 A 3.2498 8.5165 126.6206 51.5701 19.0942 176.2814 121 Q 4.5156 8.5748 121.7335 54.0626 31.8803 175.0833 122 S 4.9120 8.1910 118.3278 56.0746 63.2178 173.7478 123 G 4.4238 8.6484 118.6894 47.3271 0.0000 174.5494 124 F 3.8419 8.6488 121.8706 61.2157 39.8783 175.6091 125 V 3.8067 7.9232 117.2044 65.9396 31.5575 177.4478 126 E 3.7686 8.1384 117.9545 59.6309 29.1174 178.1349 127 H 4.3857 7.7572 115.3922 57.5310 30.1019 176.5632 128 L 4.0621 7.4537 119.5367 57.4970 41.5530 176.9501 129 R 4.1740 7.4463 121.9305 56.3977 29.9846 176.2229 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 8.18 4.45 0.00 4.05 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 3 G 8.23 3.56 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 0.00 4 F 9.54 4.16 0.00 2.85 3.06 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 5 L 7.97 3.90 0.00 1.83 1.71 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.68 4.00 0.00 2.03 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 2.31 2.32 0.00 7 Q 8.15 4.00 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 8 R 8.05 3.92 0.00 1.84 1.77 0.00 2.64 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.67 0.00 9 L 8.07 4.13 0.00 1.89 1.86 0.96 0.67 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 10 G 8.27 3.69 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 0.00 0.00 0.00 11 H 8.54 4.34 0.00 3.32 3.55 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.16 4.16 0.00 3.27 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 13 L 8.02 4.20 0.00 1.82 1.76 0.90 1.10 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 14 R 8.17 4.19 0.00 1.94 2.02 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 15 Q 8.26 4.24 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.39 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 *17 A 7.93 4.27 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.49 3.94 0.00 1.96 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 0.00 2.36 2.32 0.00 19 K 8.01 4.31 0.00 1.93 1.90 0.00 1.93 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.68 1.64 7.81 20 G 7.77 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 21 L 7.93 4.33 0.00 1.54 1.53 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.75 4.13 0.00 1.99 1.98 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 2.31 2.30 0.00 23 A 7.47 4.91 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 24 L 9.25 4.94 0.00 1.44 1.40 0.71 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 25 L 9.46 5.04 0.00 1.85 1.75 1.05 0.15 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 26 V 9.27 4.57 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 1.13 0.00 0.00 1.04 0.00 0.00 27 T 9.32 4.65 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 1.20 0.00 0.00 28 H 8.04 4.77 0.00 3.34 3.26 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.47 4.02 0.00 1.72 1.68 0.89 0.91 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 30 T 8.05 4.01 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 1.26 0.00 0.00 31 N 8.16 4.62 0.00 2.82 2.95 0.00 0.00 6.89 7.09 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 32 S 8.35 4.22 0.00 4.10 4.17 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 33 Y 8.55 4.39 0.00 3.11 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 34 Y 7.84 4.00 0.00 3.19 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 35 L 7.83 4.23 0.00 1.74 1.85 1.11 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.71 4.28 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 0.41 0.00 0.00 37 G 8.04 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.31 4.59 0.00 2.96 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.95 4.44 0.00 3.74 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 40 G 5.82 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 0.00 0.00 0.00 41 T 8.24 3.93 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 1.17 0.00 0.00 42 A 7.55 4.23 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 43 A 7.70 4.50 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 44 T 9.13 4.43 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 1.30 0.00 0.00 45 V 8.75 4.70 2.26 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 1.17 0.00 0.00 0.86 0.00 0.00 46 L 8.82 5.19 0.00 1.84 1.52 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.79 5.20 1.92 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.65 0.93 0.00 0.00 48 T 8.86 5.04 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 1.20 0.00 0.00 49 A 8.87 4.25 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 50 K 7.41 4.34 0.00 1.93 1.84 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.37 7.81 51 R 8.14 4.60 0.00 1.79 1.74 0.00 3.05 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 52 R 8.27 4.83 0.00 1.31 0.66 0.00 2.79 0.00 0.00 2.96 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.28 0.00 53 V 8.88 4.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.94 0.00 0.00 54 L 9.25 5.04 0.00 1.57 1.38 0.69 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.65 4.88 1.88 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 1.12 0.57 0.99 0.00 0.00 56 T 8.70 4.83 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 1.19 0.00 0.00 57 D 8.63 5.37 0.00 2.87 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.68 4.43 0.00 4.01 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 59 R 7.97 3.92 0.00 1.62 1.55 0.00 2.93 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 60 Y 8.36 4.83 0.00 3.22 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 61 T 8.08 3.92 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 1.23 0.00 0.00 62 L 7.90 4.04 0.00 1.72 1.75 0.93 0.53 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 63 L 8.07 3.99 0.00 1.87 1.92 1.00 1.18 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 64 A 8.33 4.01 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 65 K 8.08 3.91 0.00 1.95 1.91 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.56 7.81 66 A 7.99 4.23 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 67 S 8.11 4.52 0.00 4.04 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 68 V 7.77 4.10 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 0.67 0.00 0.00 0.88 0.00 0.00 69 E 8.78 4.40 0.00 2.05 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 2.30 2.27 0.00 70 G 9.06 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 0.00 0.00 0.00 71 F 7.90 4.86 0.00 2.81 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 9.32 4.55 0.00 2.57 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 73 I 8.34 4.87 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 0.85 0.00 0.00 74 I 8.45 4.55 1.87 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 1.12 1.01 0.92 0.00 0.00 75 E 8.80 4.92 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 2.27 2.33 0.00 76 S 9.10 4.65 0.00 3.83 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 77 R 8.86 4.42 0.00 1.86 1.97 0.00 3.22 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 78 T 7.99 4.67 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 79 P 0.00 4.30 0.00 2.35 2.41 0.00 3.75 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 2.19 2.14 0.00 80 L 7.88 3.98 0.00 1.60 1.62 0.30 0.85 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 81 K 7.98 4.00 0.00 1.95 1.83 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.51 1.56 7.81 82 V 7.58 3.55 2.26 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 1.04 0.00 0.00 0.94 0.00 0.00 83 V 8.02 3.57 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 0.95 0.00 0.00 0.99 0.00 0.00 84 A 8.09 3.95 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 85 E 8.04 3.89 0.00 2.18 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 2.32 2.48 0.00 86 L 7.96 3.96 0.00 1.70 1.71 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.02 4.01 0.00 1.68 1.87 0.91 0.64 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 88 E 8.52 3.85 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 89 A 7.83 4.00 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 90 D 7.94 4.54 0.00 2.65 2.70 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 91 Q 7.77 3.46 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 92 I 7.92 4.36 1.86 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 1.35 0.69 0.96 0.00 0.00 93 D 8.26 5.00 0.00 2.80 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 94 C 8.08 5.37 0.00 2.84 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 9.21 4.67 0.00 1.67 1.50 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 96 G 9.16 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 97 F 8.39 5.68 0.00 3.27 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.91 4.66 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 99 D 8.96 4.54 0.00 2.84 2.79 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 0.00 100 Q 7.78 4.26 0.00 1.74 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 101 V 7.55 3.87 2.36 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 0.92 0.00 0.00 1.40 0.00 0.00 102 S 8.51 4.49 0.00 4.18 4.09 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 0.00 0.00 0.00 103 F 9.03 4.03 0.00 3.27 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.32 4.39 0.00 4.16 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 0.00 105 F 8.03 4.07 0.00 3.07 3.32 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 0.00 106 Y 7.90 3.88 0.00 2.75 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 0.00 107 Q 8.14 3.95 0.00 2.13 2.01 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 2.24 2.03 0.00 108 A 7.55 3.94 1.04 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 0.00 0.00 0.00 *110 Q 8.06 3.85 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 1.74 1.45 0.00 111 A 7.84 4.02 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 0.00 112 E 7.90 4.15 0.00 1.83 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 113 L 7.23 4.59 0.00 1.54 1.51 0.79 0.73 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 0.00 114 S 7.52 4.21 0.00 3.93 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 0.00 115 G 8.86 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 0.00 0.00 0.00 116 I 7.23 4.58 1.87 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 1.26 0.88 0.93 0.00 0.00 117 T 8.78 4.14 4.27 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 1.26 0.00 0.00 118 L 8.66 5.20 0.00 1.69 1.67 0.41 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 119 L 9.18 4.78 0.00 1.57 1.58 0.94 1.13 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 0.00 120 A 8.52 3.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 Q 8.57 4.52 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 122 S 8.19 4.91 0.00 3.92 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 0.00 123 G 8.65 4.42 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 0.00 124 F 8.65 3.84 0.00 3.04 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 0.00 125 V 7.92 3.81 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 1.08 0.00 0.00 1.15 0.00 0.00 126 E 8.14 3.77 0.00 2.19 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 0.00 2.35 2.36 0.00 127 H 7.76 4.39 0.00 3.18 3.20 0.00 5.75 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.45 4.06 0.00 1.75 1.78 1.06 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 129 R 7.45 4.17 0.00 1.86 1.81 0.00 3.07 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.00 0.00 * Residues marked with a * may have inaccurate shift predictions.