NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 5.5450 8.5898 121.2815 54.3014 41.4399 173.6010 2 S 4.7949 7.9481 119.7759 54.8185 67.1511 167.3473 3 V 4.7235 7.7748 115.4018 61.5045 33.9493 173.6322 4 T 4.9040 8.8702 115.9390 59.7798 71.8819 172.8831 5 Q 5.1203 8.5137 120.8843 54.3539 32.5507 173.9649 6 M 4.2623 8.8718 119.7589 56.1677 32.7281 175.5536 7 E 4.7395 8.6306 123.7335 55.6932 32.5292 171.9891 8 G 3.7987 8.8202 110.9782 44.8181 0.0000 171.5697 9 P 4.5055 0.0000 0.0000 63.0578 31.7130 175.1718 10 V 3.5147 8.8947 122.0010 60.0923 31.2952 174.9370 11 T 4.0476 9.3091 127.0078 61.9647 65.8817 174.1814 12 L 4.6274 8.0911 128.9543 52.3857 43.8797 174.7286 13 S 4.0747 8.8683 120.0340 57.0411 62.7052 170.4333 14 E 3.6299 8.4896 123.8327 56.6098 29.8526 173.1414 15 E 3.8620 9.6107 132.0463 56.4703 29.5323 174.0112 16 A 4.3939 7.6650 125.0497 52.9948 23.9675 175.2648 17 F 4.4553 9.1094 107.3787 57.7878 39.4967 172.0074 18 L 2.7686 6.0362 133.9911 54.4997 42.3683 173.5427 19 T 4.8986 7.1045 118.9146 59.7279 70.3762 167.7554 20 I 4.2517 8.3452 128.2531 59.4680 38.8944 174.9482 21 N 5.2252 8.8366 124.8666 53.4407 40.5811 175.1807 22 C 5.4328 8.3561 120.7577 56.2596 47.9533 172.6570 23 T 5.4885 9.2858 116.3318 59.5543 72.0412 172.5868 24 Y 4.8187 7.8678 119.0014 57.1412 41.1295 175.3549 25 T 4.3136 8.8606 115.2229 62.7226 71.4741 173.4548 26 A 4.8835 8.0772 135.0000 51.5337 17.7799 175.7897 27 T 4.1380 7.5356 118.0895 66.1240 76.4400 176.4248 28 G 4.4837 7.9540 119.0041 46.0656 0.0000 175.1402 29 Y 4.6799 8.9008 117.7966 55.4542 37.7179 171.8007 30 P 4.5951 0.0000 0.0000 63.2335 32.3859 177.2693 31 S 4.5230 9.2829 114.8303 57.0701 67.1730 173.7278 32 L 4.3452 7.3331 121.4741 52.9642 45.3021 175.3445 33 F 5.6616 8.7751 118.2027 56.3424 44.5971 173.4971 34 W 5.0678 8.7711 118.4641 55.4496 32.4900 174.1284 35 Y 5.6811 9.8356 124.1719 56.3427 40.4445 175.1188 36 V 4.2909 8.8866 123.1667 59.8674 34.3853 174.5544 37 Q 4.7890 8.2744 125.5990 53.3165 30.2955 174.3753 38 Y 4.8732 7.9145 123.7915 56.5058 39.5476 173.7165 39 P 4.1355 0.0000 0.0000 63.8439 31.6994 177.3110 40 G 3.9330 8.8094 114.3241 45.7391 0.0000 171.2818 41 E 4.6775 7.5313 114.8742 54.9073 34.4164 177.4161 42 G 3.7544 8.2661 108.3105 45.5663 0.0000 171.2920 43 L 4.5153 8.0744 120.2118 53.5958 42.8468 176.4635 44 Q 4.5505 9.0264 123.7125 54.0789 31.2636 175.0021 45 L 5.0326 8.4750 123.9814 55.5892 42.7370 174.5294 46 L 4.7607 9.1813 124.4656 55.9424 43.9439 176.0500 47 L 4.9424 8.0560 119.3228 53.8897 46.0295 176.5444 48 K 4.8749 9.9129 124.9486 54.3269 34.2162 171.7437 49 A 4.6310 7.4573 125.2181 54.0810 19.9092 177.5006 50 T 4.6699 8.0338 111.8075 61.2013 69.3618 174.5466 51 K 4.3559 7.7005 119.5444 55.9050 36.0210 176.1648 52 A 4.2531 7.2473 122.0526 51.8289 21.1245 176.1689 53 D 4.7681 7.2804 116.8284 54.2854 42.8644 177.5452 54 D 4.7205 9.2554 123.4052 55.8215 39.5494 179.2628 55 K 5.5653 10.5748 135.0000 55.2134 33.5754 178.3170 56 G 3.7472 9.2885 106.7835 48.5449 0.0000 173.3855 57 S 5.1646 10.7700 108.5633 57.8290 63.5285 166.9673 58 N 4.7313 9.4129 126.3456 55.3712 40.5785 174.8034 59 K 3.9074 8.3452 124.0563 55.9590 29.7074 174.0384 *61 G 4.2899 7.8062 104.3316 46.8773 0.0000 173.1651 62 F 4.5793 8.9181 119.4001 57.1074 40.6455 174.5477 63 E 5.0494 8.9036 119.5261 55.3412 34.6489 174.4238 64 A 4.7609 7.9171 118.1726 52.4776 21.7283 176.0356 65 T 4.8421 8.5422 119.9716 62.3260 70.4848 174.7523 66 Y 4.8702 8.8353 127.8663 57.2243 39.3129 173.9907 67 R 4.6762 9.2118 129.0955 55.1391 31.1939 178.1804 68 K 4.4579 8.8029 125.8612 56.1106 32.3628 175.1932 69 E 4.1265 8.1667 116.7714 60.3162 29.6240 177.7534 70 T 4.2468 7.8707 106.0774 61.3055 69.5376 175.6135 71 T 3.7645 7.5555 109.0753 62.9189 67.3214 170.6265 72 S 5.0966 9.1549 122.9670 57.1667 67.4963 174.9493 73 F 5.5690 9.0346 121.7638 57.7844 38.8323 173.9895 74 H 4.7192 8.2180 118.8643 55.9003 30.6798 175.6100 75 L 4.5825 8.7826 124.8239 53.4424 43.7496 175.0670 76 E 5.5022 8.7810 124.2024 53.7270 34.6520 175.0732 77 K 4.0797 8.6311 118.1745 56.3071 34.8444 175.8749 78 G 3.7008 8.5992 116.9512 48.8981 0.0000 173.5722 79 S 5.0444 9.8921 129.7021 57.3666 62.2825 169.2192 80 V 3.5870 7.8070 121.3044 62.6409 31.7178 175.2721 81 Q 4.8361 8.1840 119.4811 53.7042 32.4081 176.8065 82 V 3.5130 8.7891 123.9758 65.8007 31.2701 179.1858 83 S 4.1888 8.1494 115.2670 60.6575 62.1226 176.7211 84 D 5.2221 9.1433 117.9411 54.4626 41.6724 177.3623 85 S 3.8159 8.8693 109.6224 60.1051 62.3756 177.2299 86 A 3.4214 8.8334 130.2732 53.8551 19.0237 176.0589 87 V 4.8829 7.4778 114.8445 61.5729 34.4404 174.7812 88 Y 5.0421 9.6952 124.5432 56.1749 41.5320 174.4916 89 F 5.0575 10.0364 122.6607 55.8528 42.2960 173.2763 90 C 4.1064 8.5298 123.4262 54.6211 43.6760 172.1547 91 A 5.2363 8.5987 126.9560 50.4724 23.2741 174.0219 92 L 4.9508 8.0515 117.9390 55.1430 44.5727 174.8219 93 S 4.5250 9.4167 112.4939 58.1807 66.5177 175.8943 94 G 3.7760 8.6017 108.7087 45.6165 0.0000 173.1858 *98 G 3.8180 7.6795 107.1241 45.6963 0.0000 171.3463 99 D 4.6421 8.4879 128.9308 53.7325 39.3427 174.4781 100 S 4.4850 7.6768 117.3132 57.0061 63.4286 174.0966 101 S 4.2891 8.2235 120.2745 57.5057 64.7459 174.5290 102 Y 3.7450 8.3871 115.6683 58.2630 35.5027 168.9263 103 K 4.5843 7.4702 116.8724 55.6849 35.8851 174.6663 104 L 4.6743 7.9296 117.6678 52.8859 44.5786 176.5343 105 I 4.0909 7.9488 123.4764 60.3049 38.7929 174.8519 106 F 5.3664 8.5389 124.2301 55.6125 42.3460 175.4151 107 G 4.0635 9.2105 112.4207 46.0252 0.0000 175.3134 108 S 4.4810 8.8047 114.6629 58.4109 62.2582 173.5817 109 G 3.7385 7.8996 107.7557 46.3308 0.0000 173.3696 110 T 4.6931 8.6489 115.7845 61.4721 72.9276 172.9406 111 R 5.0816 8.7732 128.0607 55.3197 32.3415 175.0382 112 L 4.8351 9.1880 131.7442 53.9648 43.3878 172.7166 113 L 4.8459 8.4356 128.2521 52.1499 41.5658 174.2003 114 V 3.3201 8.3763 127.6534 62.4716 31.8567 179.2505 115 R 3.9127 8.1343 125.1109 57.2532 28.2074 180.4523 116 P 3.8405 0.0000 0.0000 63.6409 27.8477 175.9608 117 D 4.9330 8.1163 123.4398 50.2423 44.1661 171.0730 *120 N 4.6176 8.1624 112.0947 56.0005 39.4128 172.2470 121 P 3.9287 0.0000 0.0000 60.9327 32.7489 174.9945 122 D 4.5889 7.9427 116.7300 52.7351 42.3946 174.6714 123 P 5.2895 0.0000 0.0000 62.3352 32.1738 176.0484 *125 V 4.1481 8.0214 121.5139 63.3048 33.9518 174.2646 126 Y 4.5189 8.4071 128.9929 58.5919 47.3701 176.6976 *137 S 4.5210 9.1586 126.7294 60.1404 65.1367 177.1305 138 V 5.7583 8.2310 120.4707 60.2897 35.5449 178.5446 139 C 5.0352 8.7237 118.7608 54.4070 42.1279 174.2642 140 L 4.5610 8.7278 127.0471 53.0045 41.4772 174.4023 141 F 5.1871 8.9694 129.1716 58.5611 37.7855 174.6802 142 T 4.6448 8.2766 117.6341 59.4182 71.2389 172.7151 143 D 3.7819 7.8737 118.0338 55.9995 40.1621 173.7803 144 F 4.8815 7.6102 120.2307 56.8663 39.5002 173.8354 145 D 4.5290 8.1665 120.4416 53.6568 39.9286 178.0340 146 S 4.6262 8.9311 120.1582 59.8230 62.6920 175.4069 147 Q 4.4895 7.8017 118.5712 55.6029 29.4145 181.3318 148 T 3.4460 7.5914 107.4256 66.3517 69.4678 177.3003 149 N 4.1245 7.8152 127.6580 55.6693 42.5197 177.7828 *157 D 4.4834 8.3451 107.6092 52.7550 40.3823 172.5196 158 V 4.4167 7.6987 125.3950 61.6671 35.2187 172.8585 *159 Y 4.2666 9.5147 115.2062 57.5210 35.8798 165.0000 160 I 3.9865 7.0845 114.6951 63.0870 39.3120 169.7925 161 T 3.9051 7.7409 108.7644 64.5505 72.7301 165.0000 162 D 4.5348 9.1622 129.8376 55.0551 38.3813 170.9253 163 K 4.7262 8.3652 125.7405 53.7879 33.1286 172.4322 164 T 4.6396 8.2181 113.6419 64.0815 73.3923 172.5372 165 V 4.6576 8.4138 122.8791 62.5868 34.9574 175.8028 166 L 4.8781 8.2364 128.0997 54.7338 44.2422 175.3432 167 D 4.5401 8.0643 110.2758 56.0863 43.9321 176.1156 168 M 4.5803 8.6633 127.8360 53.5828 33.5071 177.6930 169 R 4.0310 8.8367 123.8685 59.4155 30.4660 178.2412 170 S 4.3769 8.1225 113.7051 61.1434 63.1534 175.7379 171 M 4.7061 8.1127 117.6446 54.6604 32.6834 180.0851 172 D 4.3662 8.4745 115.8761 55.6740 39.1259 173.5761 173 F 4.4611 7.9109 121.5079 57.8690 40.8755 174.6378 174 K 5.0730 6.9118 122.2209 55.0597 36.2489 175.3364 175 S 4.5780 8.5442 116.8410 57.0576 67.1494 172.2312 176 N 5.3745 8.8204 117.3420 50.1568 41.9065 173.7174 177 S 5.7761 7.6770 117.8695 58.5193 64.9923 175.7668 178 A 5.3153 7.8000 122.0142 50.8315 23.2497 174.5767 179 V 4.9968 8.2657 116.7484 61.5653 35.0246 174.0403 180 A 4.6432 8.5280 127.0833 50.0152 22.5728 174.9576 181 W 5.7436 7.2005 115.4692 56.4446 31.4307 173.2359 182 S 5.0060 8.4218 115.9388 58.9823 64.7964 176.4304 183 N 4.7937 8.9536 122.0370 50.8558 38.6199 175.4568 *185 S 4.5233 8.5687 119.7351 57.8708 64.7146 176.2820 186 D 4.4314 8.3712 118.6112 55.2622 37.9480 174.6983 *187 F 4.7037 7.9805 115.3623 55.3950 42.1514 175.9445 188 A 4.6994 8.5544 130.0160 50.3858 21.9115 177.9755 189 C 4.2444 9.0864 119.0590 57.1577 40.1465 172.4362 190 A 4.8518 7.7484 119.7349 52.3692 18.8302 177.3258 191 N 4.8112 8.1804 115.4210 53.5584 37.5840 174.4757 192 A 4.5927 8.1612 120.7337 53.7428 19.5090 178.9224 *193 F 4.4851 8.0096 122.6367 56.6416 39.0834 177.7651 194 N 4.7638 8.4949 123.5287 51.6560 38.2700 172.7999 195 N 4.7142 8.1304 114.4761 53.8424 39.5951 174.9270 196 S 3.3809 7.7162 118.5375 57.0872 63.8903 173.5891 197 I 3.7572 8.4877 117.5479 59.5895 37.4253 171.5732 198 I 3.1186 8.4133 114.6682 60.9147 36.0698 172.5778 199 P 4.5184 0.0000 0.0000 63.6020 31.8911 176.7411 200 E 4.3885 8.2104 120.2013 56.8687 29.3541 176.6285 201 D 4.2740 7.5497 115.1374 53.3824 40.3087 179.6876 202 T 4.5385 7.1902 115.7156 62.9401 70.8590 175.1699 203 F 4.3036 8.1670 120.0714 58.2953 39.9097 174.5099 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 D 8.59 5.54 0.00 2.48 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 2 S 7.95 4.79 0.00 3.93 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 3 V 7.77 4.72 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 0.65 0.00 0.00 0.95 0.00 0.00 4 T 8.87 4.90 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 5 Q 8.51 5.12 0.00 2.37 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 6 M 8.87 4.26 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.54 0.00 7 E 8.63 4.74 0.00 2.12 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 2.21 2.30 0.00 8 G 8.82 3.80 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 0.00 0.00 0.00 9 P 0.00 4.51 0.00 2.21 2.13 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 10 V 8.89 3.51 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 0.69 0.00 0.00 0.91 0.00 0.00 11 T 9.31 4.05 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 12 L 8.09 4.63 0.00 1.59 1.43 0.92 0.84 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 S 8.87 4.07 0.00 3.62 3.73 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 14 E 8.49 3.63 0.00 1.90 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 2.37 0.00 15 E 9.61 3.86 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 2.19 2.36 0.00 16 A 7.67 4.39 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 17 F 9.11 4.46 0.00 3.16 3.18 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 18 L 6.04 2.77 0.00 1.42 1.22 0.51 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.10 4.90 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 20 I 8.35 4.25 1.42 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.08 1.13 0.00 0.00 21 N 8.84 5.23 0.00 2.81 2.90 0.00 0.00 6.52 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.36 5.43 0.00 3.30 3.33 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 23 T 9.29 5.49 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 1.29 0.00 0.00 24 Y 7.87 4.82 0.00 3.12 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 25 T 8.86 4.31 4.39 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 1.23 0.00 0.00 26 A 8.08 4.88 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 27 T 7.54 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 1.24 0.00 0.00 28 G 7.95 4.48 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 0.00 29 Y 8.90 4.68 0.00 2.83 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 4.60 0.00 1.78 2.00 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 31 S 9.28 4.52 0.00 3.50 3.18 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 32 L 7.33 4.35 0.00 0.27 0.28 -0.83 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.78 5.66 0.00 2.22 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 34 W 8.77 5.07 0.00 3.38 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 35 Y 9.84 5.68 0.00 2.90 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 36 V 8.89 4.29 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 0.03 0.00 0.00 -0.27 0.00 0.00 37 Q 8.27 4.79 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 38 Y 7.91 4.87 0.00 2.91 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 39 P 0.00 4.14 0.00 2.08 2.06 0.00 3.94 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 40 G 8.81 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 41 E 7.53 4.68 0.00 2.00 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 0.00 2.24 2.50 0.00 42 G 8.27 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 43 L 8.07 4.52 0.00 1.00 1.17 -0.07 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 9.03 4.55 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 45 L 8.47 5.03 0.00 1.85 1.74 1.10 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.18 4.76 0.00 1.70 1.94 0.73 0.47 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 47 L 8.06 4.94 0.00 1.87 1.64 0.93 1.12 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 48 K 9.91 4.87 0.00 1.76 1.63 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.28 0.98 7.81 49 A 7.46 4.63 1.49 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 0.00 0.00 50 T 8.03 4.67 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 1.15 0.00 0.00 51 K 7.70 4.36 0.00 1.78 1.69 0.00 1.83 0.00 0.00 2.02 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 52 A 7.25 4.25 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.28 4.77 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 63 E 8.90 5.05 0.00 1.77 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 64 A 7.92 4.76 0.47 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 0.00 0.00 65 T 8.54 4.84 4.31 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 1.31 0.00 0.00 66 Y 8.84 4.87 0.00 3.13 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 67 R 9.21 4.68 0.00 2.03 1.97 0.00 3.27 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 68 K 8.80 4.46 0.00 1.77 1.71 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.02 7.81 69 E 8.17 4.13 0.00 1.97 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 0.00 2.32 2.24 0.00 70 T 7.87 4.25 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 1.24 0.00 0.00 71 T 7.56 3.76 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 1.02 0.00 0.00 72 S 9.15 5.10 0.00 3.97 4.10 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 73 F 9.03 5.57 0.00 2.79 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 74 H 8.22 4.72 0.00 3.19 3.19 0.00 5.84 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.78 4.58 0.00 0.27 0.32 0.72 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.78 5.50 0.00 1.73 1.58 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 2.07 1.93 0.00 77 K 8.63 4.08 0.00 0.90 0.74 0.00 0.91 0.00 0.00 0.61 0.00 0.00 2.36 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.54 0.84 7.81 78 G 8.60 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 79 S 9.89 5.04 0.00 3.71 4.10 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 80 V 7.81 3.59 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 0.82 0.00 0.00 0.89 0.00 0.00 81 Q 8.18 4.84 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.68 0.00 0.00 0.00 0.00 0.00 2.25 2.48 0.00 82 V 8.79 3.51 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 0.73 0.00 0.00 0.94 0.00 0.00 83 S 8.15 4.19 0.00 3.65 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 84 D 9.14 5.22 0.00 2.81 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 85 S 8.87 3.82 0.00 3.98 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 86 A 8.83 3.42 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 87 V 7.48 4.88 1.93 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 0.74 0.00 0.00 0.90 0.00 0.00 88 Y 9.70 5.04 0.00 3.05 3.34 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 89 F 10.04 5.06 0.00 3.08 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 90 C 8.53 4.11 0.00 1.24 2.47 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 91 A 8.60 5.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.05 4.95 0.00 1.42 1.24 0.79 0.70 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 93 S 9.42 4.53 0.00 3.76 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 94 G 8.60 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 *98 G 7.68 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 99 D 8.49 4.64 0.00 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0.00 0.00 *137 S 9.16 4.52 0.00 3.45 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.23 5.76 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 0.85 0.00 0.00 0.93 0.00 0.00 139 C 8.72 5.04 0.00 2.46 2.93 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 0.00 140 L 8.73 4.56 0.00 1.88 1.76 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 141 F 8.97 5.19 0.00 3.24 3.05 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 T 8.28 4.64 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 0.00 143 D 7.87 3.78 0.00 2.99 2.66 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 0.00 0.00 0.00 144 F 7.61 4.88 0.00 3.10 3.12 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 0.00 145 D 8.17 4.53 0.00 2.62 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 0.00 146 S 8.93 4.63 0.00 3.87 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 7.80 4.49 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.93 0.00 0.00 0.00 0.00 0.00 2.19 1.92 0.00 148 T 7.59 3.45 4.01 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 0.99 0.00 0.00 149 N 7.82 4.12 0.00 2.68 2.33 0.00 0.00 6.77 8.47 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 *157 D 8.35 4.48 0.00 2.76 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 0.00 158 V 7.70 4.42 2.11 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 1.03 0.00 0.00 0.96 0.00 0.00 *159 Y 9.51 4.27 0.00 2.42 2.55 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 0.00 160 I 7.08 3.99 1.87 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 1.27 1.11 0.91 0.00 0.00 161 T 7.74 3.91 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 0.00 162 D 9.16 4.53 0.00 2.87 2.66 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 0.00 0.00 0.00 163 K 8.37 4.73 0.00 1.77 1.62 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.33 1.02 7.81 164 T 8.22 4.64 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 1.23 0.00 0.00 165 V 8.41 4.66 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 0.75 0.00 0.00 0.95 0.00 0.00 166 L 8.24 4.88 0.00 1.39 1.45 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 167 D 8.06 4.54 0.00 2.62 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 M 8.66 4.58 0.00 1.99 2.05 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 2.62 2.51 0.00 169 R 8.84 4.03 0.00 1.80 2.00 0.00 3.21 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 170 S 8.12 4.38 0.00 3.86 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 0.00 171 M 8.11 4.71 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 172 D 8.47 4.37 0.00 2.75 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 0.00 173 F 7.91 4.46 0.00 3.33 2.89 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 0.00 174 K 6.91 5.07 0.00 1.39 1.49 0.00 1.69 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.35 7.81 175 S 8.54 4.58 0.00 4.02 4.39 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 0.00 176 N 8.82 5.37 0.00 1.44 2.13 0.00 0.00 7.26 7.57 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 0.00 177 S 7.68 5.78 0.00 3.99 3.92 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 0.00 178 A 7.80 5.32 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 0.00 179 V 8.27 5.00 2.27 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 1.16 0.00 0.00 1.07 0.00 0.00 180 A 8.53 4.64 1.15 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 0.00 0.00 181 W 7.20 5.74 0.00 3.40 3.38 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 0.00 182 S 8.42 5.01 0.00 3.98 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 0.00 183 N 8.95 4.79 0.00 2.75 2.59 0.00 0.00 6.71 7.64 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 *185 S 8.57 4.52 0.00 3.89 4.01 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 0.00 186 D 8.37 4.43 0.00 2.83 2.76 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 *187 F 7.98 4.70 0.00 2.24 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 0.00 0.00 0.00 188 A 8.55 4.70 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 0.00 189 C 9.09 4.24 0.00 2.74 3.04 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 0.00 190 A 7.75 4.85 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 0.00 191 N 8.18 4.81 0.00 2.75 2.78 0.00 0.00 6.55 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 A 8.16 4.59 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 *193 F 8.01 4.49 0.00 2.28 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 0.00 0.00 0.00 194 N 8.49 4.76 0.00 2.73 2.74 0.00 0.00 6.70 7.99 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 0.00 195 N 8.13 4.71 0.00 2.72 2.76 0.00 0.00 6.19 7.64 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 0.00 196 S 7.72 3.38 0.00 4.03 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 0.00 197 I 8.49 3.76 1.87 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 1.47 0.44 0.91 0.00 0.00 198 I 8.41 3.12 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.91 1.01 0.00 0.00 199 P 0.00 4.52 0.00 2.22 2.13 0.00 3.61 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 2.08 2.06 0.00 200 E 8.21 4.39 0.00 1.95 1.96 0.00 0.00 0.00 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 2.32 0.00 201 D 7.55 4.27 0.00 2.78 2.44 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 0.00 202 T 7.19 4.54 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 1.10 0.00 0.00 203 F 8.17 4.30 0.00 2.96 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 * Residues marked with a * may have inaccurate shift predictions.