NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3144 8.1693 120.9874 55.6910 41.8885 174.1819 5 R 4.5576 7.8436 113.8684 52.7763 32.8374 174.2991 6 Q 4.2083 8.6239 117.8278 59.3973 29.9973 178.8671 7 E 4.1307 8.2709 118.3131 59.6264 29.5935 178.8173 8 D 4.3830 8.0927 119.3637 57.0912 41.0241 178.3385 9 F 4.3253 8.8312 121.4651 61.0748 39.2837 176.9481 10 A 4.3682 9.0448 120.9421 55.7456 18.0377 179.7652 11 T 3.6129 7.8403 113.8474 66.5219 68.4683 177.1473 12 V 3.5195 7.7624 120.1918 66.0224 31.3895 178.3144 13 V 3.4005 7.5208 116.9933 65.9230 31.4281 177.6536 14 R 3.6856 7.6572 117.5801 58.5625 29.8239 177.6806 15 S 4.5965 7.3276 112.7741 58.1814 64.6391 173.9987 16 T 4.6550 7.2257 114.3180 59.2165 70.3995 171.2165 17 P 4.4104 0.0000 0.0000 62.9188 31.8351 176.0469 18 L 4.2482 8.8670 124.2644 54.5775 43.2504 175.8031 19 V 5.0128 8.3734 121.9075 61.4873 33.7009 174.6761 20 S 5.2706 9.0389 121.0100 56.8498 67.5258 172.3571 21 L 5.3411 8.9777 120.0754 53.0953 44.4433 175.4315 22 D 5.1143 8.8439 123.0553 52.4007 43.8104 175.0867 23 F 5.3920 8.5381 122.1250 55.9864 41.0859 175.6106 24 I 3.9745 8.7456 126.2782 60.1801 37.9865 175.0167 25 V 4.4005 8.3298 128.1819 60.9905 33.1455 173.5956 26 E 4.9737 9.0519 130.0380 54.5910 31.8660 175.3417 27 N 5.0961 8.8341 124.9985 50.6532 40.1402 175.4295 28 S 4.2675 8.6227 112.2114 59.8712 63.2931 174.8140 29 R 4.1405 7.8039 119.2551 55.7549 30.1245 176.7219 30 G 3.7459 7.6217 105.8536 45.4277 0.0000 173.5533 31 E 4.7628 8.3759 119.3007 54.7632 32.2241 175.0182 32 F 6.1531 9.4617 120.5401 54.8201 42.5307 174.4660 33 L 4.0072 8.5570 124.8524 54.6216 42.6475 175.8424 34 L 5.1494 8.9952 125.4110 53.0128 46.2431 175.6755 35 G 3.9568 9.4110 108.3850 43.9215 0.0000 171.6751 36 K 3.1925 6.9947 123.8984 55.3119 32.9890 176.4600 37 R 4.1852 8.1944 127.0911 55.5068 30.5601 177.5133 38 T 3.8769 8.4788 114.9374 62.8144 69.6711 174.2699 39 N 5.0101 7.5184 117.0752 50.5822 41.8358 174.1352 40 R 4.0063 8.0883 118.1519 55.4710 30.6612 175.1434 41 P 4.6175 0.0000 0.0000 61.6640 32.6863 175.5450 42 A 3.7452 8.2299 118.4816 53.1312 15.7497 176.9491 43 Q 3.9850 7.6828 121.4717 57.1805 30.1241 176.1848 44 G 3.8946 8.9668 114.2563 45.4866 0.0000 173.1970 45 Y 4.6122 7.4889 117.1353 57.4024 39.8744 174.4602 46 W 5.2001 9.6801 121.9431 55.6393 31.3139 175.4009 47 F 5.0506 9.2882 125.3954 56.1185 42.8682 174.2605 48 V 4.2672 7.8091 117.1428 61.0680 32.1397 174.6534 49 P 4.5004 0.0000 0.0000 62.4631 32.7923 176.7266 50 G 3.4664 7.7623 108.1795 47.7931 0.0000 172.0253 51 G 3.9955 6.9601 108.1688 44.9701 0.0000 172.7090 52 R 4.7549 8.3807 116.5306 55.7755 30.7023 176.1478 53 V 4.0642 8.8643 122.0364 62.7327 32.4369 175.8431 54 Q 4.4849 9.0237 126.6297 54.3459 30.7803 175.3432 55 K 3.9930 8.5869 121.9887 58.3940 32.4466 176.2610 56 D 4.4492 8.8032 123.4634 54.8794 38.8555 172.6304 57 E 4.5165 7.9333 121.4034 54.6968 30.9235 175.9675 58 T 4.3058 8.2183 116.3654 61.5187 71.0069 175.5160 59 L 4.0920 8.4429 121.8397 57.8305 41.7015 179.5806 60 E 3.9022 8.1956 117.9615 59.5142 29.5068 179.1193 61 A 4.0153 8.0858 120.4250 55.0408 18.3688 179.4313 62 A 4.2070 8.2557 120.8021 54.7100 18.4689 179.5917 63 F 4.0161 8.5688 119.2799 61.5601 39.4996 177.2593 64 E 4.2498 8.2729 119.4427 58.8651 29.1852 179.3032 65 R 3.8969 8.4403 119.1677 59.5552 30.2062 178.6187 66 L 4.1318 8.4095 119.3897 57.6941 41.5937 179.4752 67 T 3.5878 7.8692 109.9776 64.8266 68.6624 176.3097 68 M 3.9316 7.8456 120.4702 58.1274 32.0935 178.0767 69 A 3.9620 8.0118 119.7220 55.3902 18.7412 179.0990 70 E 4.3314 8.5943 115.5832 58.0662 29.6171 178.1153 71 L 4.6551 8.3178 117.0822 53.0726 42.7317 177.6027 72 G 4.3026 8.0218 106.2963 45.3392 0.0000 172.9219 73 L 4.6414 7.3103 121.0723 52.7328 44.1302 175.9102 74 R 4.0442 8.6258 127.3977 55.9518 30.0628 175.3484 75 L 4.7579 8.2754 125.2288 52.1607 44.7288 174.7244 76 P 4.4126 0.0000 0.0000 61.8111 32.3932 177.4569 77 I 2.0000 7.8508 120.2252 63.5063 37.9054 178.1678 78 T 3.8058 7.4883 108.8509 63.7831 68.6669 175.0275 79 A 4.0589 7.6206 124.6105 53.7044 18.7433 177.3164 80 G 4.4639 7.3936 103.5590 44.9002 0.0000 173.5744 81 Q 4.6412 9.5555 126.8218 54.9906 30.2917 174.8127 82 F 4.4352 9.3025 129.8032 58.3464 40.0852 174.2056 83 Y 4.3593 8.1694 129.0589 57.1116 39.2901 176.5965 84 G 3.4051 5.8385 102.1470 44.5539 0.0000 172.7976 85 V 4.8442 7.7317 118.8572 61.2528 32.4418 175.1901 86 W 4.8399 9.5903 128.0814 55.1445 32.5625 175.1165 87 Q 4.8908 8.6939 119.1336 54.6814 31.5566 174.5340 88 H 4.8852 8.9645 121.5475 53.8154 31.8596 173.0135 89 F 5.2587 8.5694 121.3940 55.9199 41.4625 174.0942 90 Y 4.9292 9.2284 121.8283 56.2321 40.6379 176.8851 91 D 4.4958 9.1910 122.2971 55.8010 41.4617 175.0996 92 D 5.0574 7.8843 118.2876 51.2883 42.5911 173.5394 93 N 5.1738 8.8021 115.1946 50.1834 40.4056 174.9962 94 F 4.4485 9.3437 112.9250 58.7848 37.4577 176.4396 95 S 4.1892 7.5990 113.0692 57.4003 64.6596 175.3158 96 G 3.8553 5.9085 110.7842 46.1470 0.0000 174.0155 97 T 4.4953 7.9208 116.3796 61.4276 69.2213 174.4547 98 D 4.7274 7.7176 120.0593 54.9568 41.5933 175.6674 99 F 5.0661 6.8822 112.9377 55.9785 40.9763 173.9548 100 T 4.6289 8.6995 110.2897 61.5568 70.5018 173.7607 101 T 4.7765 9.0354 118.8433 62.0309 72.0092 172.8608 102 H 5.1588 8.6800 124.5119 54.7049 33.0087 171.3195 103 Y 5.0979 9.3898 123.9536 56.2444 40.9255 174.8436 104 V 4.6179 8.8474 124.4029 61.3536 33.6919 174.3796 105 V 4.9140 9.1938 128.6632 61.1689 34.2875 174.2447 106 L 4.9521 9.1813 129.0196 53.5872 42.7956 176.1518 107 G 4.2118 8.8340 112.5349 45.7249 0.0000 171.7820 108 F 5.6119 9.3941 121.2308 55.6039 43.7873 173.5531 109 R 4.9996 9.6539 123.9046 54.5605 32.6552 174.5026 110 F 5.3447 8.4277 119.5973 55.9816 42.0336 172.5424 111 R 5.1359 8.7908 119.4418 54.8791 31.8915 175.0163 112 V 4.6699 9.4076 118.6809 59.7960 36.6965 174.3050 113 S 4.5717 8.3441 116.8868 57.3649 63.8909 175.2762 114 E 3.7688 8.8609 125.7674 59.4711 29.4270 178.5280 115 E 4.0531 8.2760 114.6061 59.4955 29.4265 177.6412 116 E 4.4877 8.0820 118.3541 56.2119 29.6721 176.4002 117 L 4.7897 7.5774 117.1171 52.8458 45.9267 177.1122 118 L 4.3391 8.2265 125.7629 54.3803 42.9176 175.1804 119 L 4.8708 8.0872 125.9454 53.0475 45.2937 176.2314 *125 D 4.5197 8.7514 117.5351 53.1571 41.1823 174.5014 126 D 5.3021 7.4537 118.0995 51.8136 45.2079 172.7678 127 Y 5.4437 8.9094 115.2282 56.5364 40.9748 175.7547 128 R 4.7660 9.3291 120.3166 54.3857 35.2099 174.0412 129 W 5.1869 8.8216 121.0621 55.1613 30.9747 175.3625 130 L 5.0160 8.7930 124.8264 52.6079 45.1473 176.9205 131 T 4.4956 8.4706 112.2773 61.3672 69.8522 175.0198 132 S 3.7665 9.0328 116.4211 61.7794 62.3316 176.2335 133 D 4.2822 8.0542 120.5708 57.3330 40.4727 178.4407 134 A 3.9879 7.5612 119.7866 55.0068 18.7529 179.3480 135 L 3.9781 7.9229 118.3973 58.9747 40.2792 179.5711 136 L 3.9906 7.7063 118.7001 56.8033 41.6224 178.3409 137 A 4.4754 7.4867 117.8278 51.3481 19.1588 177.0670 138 S 4.3966 7.3134 115.1260 57.6962 63.3997 174.9938 139 D 4.6618 8.6651 125.0854 56.0513 41.2630 176.8989 140 N 4.5213 8.0536 115.6604 53.6065 39.2420 174.4322 141 V 4.7018 7.2772 118.1584 61.4589 32.6152 175.1872 142 H 4.1326 9.0948 127.2046 55.8694 30.6268 175.6797 143 A 3.9595 8.2568 126.8494 55.6830 17.7635 179.8570 144 N 4.1595 8.2602 113.1308 55.6492 38.8155 177.1091 145 S 3.9799 7.5708 116.6865 60.8908 63.2872 176.6646 146 R 4.0030 7.8368 119.9577 59.0668 29.8533 178.5269 147 A 3.9454 7.7789 120.7319 55.5798 18.0420 179.1803 148 Y 3.7726 6.7417 113.9289 60.1252 37.7791 177.4527 149 F 4.6814 7.8544 115.8687 56.8202 39.6788 174.9562 150 L 4.7431 7.6474 122.0417 52.6494 43.5111 177.4538 151 A 4.0584 8.7234 125.5032 55.2659 18.1710 179.2413 152 E 3.9708 8.1621 116.3180 58.9350 29.7925 178.4416 153 K 4.2718 7.7235 117.6791 58.7700 32.5581 178.9850 154 R 3.8979 7.9041 118.1606 57.4736 29.9373 176.8166 155 T 3.8288 7.3222 109.6033 62.5802 69.2459 174.8085 156 G 3.7491 8.7650 113.4518 45.2739 0.0000 173.0527 157 V 3.4806 7.0242 121.1296 60.8113 31.9347 173.6367 158 P 4.3129 0.0000 0.0000 64.4662 31.4565 177.1087 159 G 4.1242 9.2131 111.3248 45.1069 0.0000 173.1409 160 L 4.1659 7.3291 124.3454 54.6390 41.9642 176.2025 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 4 L 8.17 4.31 0.00 1.81 1.80 0.94 0.17 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 5 R 7.84 4.56 0.00 2.07 2.08 0.00 2.99 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 1.76 1.82 0.00 6 Q 8.62 4.21 0.00 2.30 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.94 0.00 0.00 0.00 0.00 0.00 2.66 2.99 0.00 7 E 8.27 4.13 0.00 2.28 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 0.00 2.41 2.44 0.00 8 D 8.09 4.38 0.00 2.93 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 9 F 8.83 4.33 0.00 3.06 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 9.04 4.37 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 11 T 7.84 3.61 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 1.15 0.00 0.00 12 V 7.76 3.52 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 0.95 0.00 0.00 0.99 0.00 0.00 13 V 7.52 3.40 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.20 0.00 0.00 14 R 7.66 3.69 0.00 0.86 1.66 0.00 3.02 0.00 0.00 3.02 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.04 0.00 15 S 7.33 4.60 0.00 3.78 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 16 T 7.23 4.66 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 17 P 0.00 4.41 0.00 1.92 1.45 0.00 3.80 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 1.94 1.96 0.00 18 L 8.87 4.25 0.00 1.14 1.57 0.60 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.37 5.01 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 1.13 0.00 0.00 0.98 0.00 0.00 20 S 9.04 5.27 0.00 4.07 4.15 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 21 L 8.98 5.34 0.00 1.28 1.71 1.16 1.34 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 22 D 8.84 5.11 0.00 2.60 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 0.00 0.00 0.00 0.00 23 F 8.54 5.39 0.00 2.89 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 24 I 8.75 3.97 1.29 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.12 0.56 0.00 0.00 25 V 8.33 4.40 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 1.17 0.00 0.00 0.75 0.00 0.00 26 E 9.05 4.97 0.00 1.99 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.47 0.00 27 N 8.83 5.10 0.00 2.36 1.56 0.00 0.00 6.62 8.17 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 28 S 8.62 4.27 0.00 3.91 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 29 R 7.80 4.14 0.00 1.74 1.87 0.00 3.20 0.00 0.00 3.10 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 30 G 7.62 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 31 E 8.38 4.76 0.00 2.05 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 2.35 2.38 0.00 32 F 9.46 6.15 0.00 2.86 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.56 4.01 0.00 0.27 1.25 0.23 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 34 L 9.00 5.15 0.00 1.69 1.76 0.88 0.94 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 35 G 9.41 3.96 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 0.00 36 K 6.99 3.19 0.00 0.79 0.95 0.00 1.39 0.00 0.00 1.84 0.00 0.00 2.68 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.98 0.67 7.81 37 R 8.19 4.19 0.00 1.80 1.66 0.00 2.49 0.00 0.00 2.76 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.39 0.00 38 T 8.48 3.88 4.16 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 1.07 0.00 0.00 39 N 7.52 5.01 0.00 2.67 2.76 0.00 0.00 6.93 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 40 R 8.09 4.01 0.00 1.90 1.81 0.00 3.07 0.00 0.00 3.45 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 41 P 0.00 4.62 0.00 1.27 2.10 0.00 3.41 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.77 0.00 42 A 8.23 3.75 1.05 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 0.00 0.00 43 Q 7.68 3.98 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.62 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 44 G 8.97 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 45 Y 7.49 4.61 0.00 3.26 3.08 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 0.00 0.00 0.00 46 W 9.68 5.20 0.00 3.35 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 47 F 9.29 5.05 0.00 3.03 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 48 V 7.81 4.27 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 0.70 0.00 0.00 0.84 0.00 0.00 49 P 0.00 4.50 0.00 2.37 2.20 0.00 4.00 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 50 G 7.76 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 6.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.38 4.75 0.00 2.10 2.13 0.00 3.16 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 53 V 8.86 4.06 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 0.83 0.00 0.00 1.04 0.00 0.00 54 Q 9.02 4.48 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 55 K 8.59 3.99 0.00 1.71 1.75 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.55 7.81 56 D 8.80 4.45 0.00 2.88 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 57 E 7.93 4.52 0.00 2.03 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 2.28 2.26 0.00 58 T 8.22 4.31 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 1.23 0.00 0.00 59 L 8.44 4.09 0.00 1.77 1.88 1.02 1.01 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 60 E 8.20 3.90 0.00 2.06 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 2.37 2.39 0.00 61 A 8.09 4.02 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 62 A 8.26 4.21 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 63 F 8.57 4.02 0.00 3.18 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 64 E 8.27 4.25 0.00 2.25 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 2.56 2.38 0.00 65 R 8.44 3.90 0.00 1.89 2.17 0.00 3.09 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 66 L 8.41 4.13 0.00 2.03 1.98 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.87 3.59 4.12 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 0.02 0.00 0.00 68 M 7.85 3.93 0.00 2.30 2.07 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 69 A 8.01 3.96 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 70 E 8.59 4.33 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.64 0.00 71 L 8.32 4.66 0.00 1.71 1.69 0.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.02 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 0.00 0.00 0.00 0.00 73 L 7.31 4.64 0.00 1.81 1.51 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.63 4.04 0.00 1.79 1.81 0.00 3.22 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 75 L 8.28 4.76 0.00 1.55 1.38 0.35 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.41 0.00 2.05 1.88 0.00 3.51 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 2.04 2.01 0.00 77 I 7.85 2.00 1.37 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 1.05 -0.04 0.69 0.00 0.00 78 T 7.49 3.81 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 1.14 0.00 0.00 79 A 7.62 4.06 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 80 G 7.39 4.46 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 0.00 81 Q 9.56 4.64 0.00 2.31 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.93 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 82 F 9.30 4.44 0.00 3.08 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 83 Y 8.17 4.36 0.00 2.72 2.74 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 0.00 0.00 0.00 84 G 5.84 3.41 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 0.00 85 V 7.73 4.84 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 0.88 0.00 0.00 1.17 0.00 0.00 86 W 9.59 4.84 0.00 3.24 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 87 Q 8.69 4.89 0.00 1.99 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 88 H 8.96 4.89 0.00 3.16 2.95 0.00 5.57 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.57 5.26 0.00 2.81 2.87 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 90 Y 9.23 4.93 0.00 2.91 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 91 D 9.19 4.50 0.00 2.72 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 92 D 7.88 5.06 0.00 2.89 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 93 N 8.80 5.17 0.00 2.75 2.69 0.00 0.00 6.64 7.70 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 94 F 9.34 4.45 0.00 3.25 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 95 S 7.60 4.19 0.00 3.61 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 96 G 5.91 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 0.00 0.00 0.00 97 T 7.92 4.50 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 1.15 0.00 0.00 98 D 7.72 4.73 0.00 2.70 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 99 F 6.88 5.07 0.00 2.87 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 0.00 100 T 8.70 4.63 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 1.29 0.00 0.00 101 T 9.04 4.78 4.49 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 1.01 0.00 0.00 102 H 8.68 5.16 0.00 3.31 3.11 0.00 5.65 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 9.39 5.10 0.00 2.88 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 0.00 104 V 8.85 4.62 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 0.99 0.00 0.00 0.91 0.00 0.00 105 V 9.19 4.91 2.21 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 1.09 0.00 0.00 0.86 0.00 0.00 106 L 9.18 4.95 0.00 2.06 2.00 1.19 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.83 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 0.00 0.00 0.00 108 F 9.39 5.61 0.00 3.65 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 R 9.65 5.00 0.00 1.14 1.65 0.00 2.46 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 110 F 8.43 5.34 0.00 3.16 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 0.00 111 R 8.79 5.14 0.00 1.90 1.89 0.00 3.32 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 112 V 9.41 4.67 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 1.13 0.00 0.00 1.22 0.00 0.00 113 S 8.34 4.57 0.00 3.84 3.88 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 0.00 0.00 0.00 0.00 114 E 8.86 3.77 0.00 1.69 1.68 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 1.60 1.47 0.00 115 E 8.28 4.05 0.00 2.04 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 2.23 2.34 0.00 116 E 8.08 4.49 0.00 1.98 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 2.30 2.26 0.00 117 L 7.58 4.79 0.00 1.54 1.68 1.27 1.17 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 0.00 118 L 8.23 4.34 0.00 1.77 1.65 0.90 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.09 4.87 0.00 1.39 1.17 0.83 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 *125 D 8.75 4.52 0.00 2.79 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 0.00 126 D 7.45 5.30 0.00 2.94 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 0.00 127 Y 8.91 5.44 0.00 2.81 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 0.00 128 R 9.33 4.77 0.00 1.24 1.53 0.00 2.66 0.00 0.00 2.96 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.77 0.00 129 W 8.82 5.19 0.00 3.11 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.79 5.02 0.00 1.53 1.47 0.77 0.12 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 0.00 131 T 8.47 4.50 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 1.21 0.00 0.00 132 S 9.03 3.77 0.00 4.15 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 0.00 133 D 8.05 4.28 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 0.00 134 A 7.56 3.99 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 0.00 135 L 7.92 3.98 0.00 1.76 1.77 0.36 -0.54 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 0.00 136 L 7.71 3.99 0.00 1.83 1.76 1.00 0.88 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 0.00 137 A 7.49 4.48 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 0.00 138 S 7.31 4.40 0.00 4.01 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 0.00 139 D 8.67 4.66 0.00 2.69 2.78 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 0.00 140 N 8.05 4.52 0.00 2.75 2.96 0.00 0.00 6.74 7.68 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 0.00 141 V 7.28 4.70 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.94 0.00 0.00 142 H 9.09 4.13 0.00 3.47 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.26 3.96 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 0.00 144 N 8.26 4.16 0.00 2.85 2.45 0.00 0.00 6.90 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 0.00 145 S 7.57 3.98 0.00 3.74 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 0.00 146 R 7.84 4.00 0.00 1.81 1.98 0.00 3.23 0.00 0.00 3.63 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.84 0.00 147 A 7.78 3.95 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 0.00 148 Y 6.74 3.77 0.00 2.27 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 0.00 0.00 0.00 149 F 7.85 4.68 0.00 3.02 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 0.00 150 L 7.65 4.74 0.00 1.78 1.60 0.94 0.63 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 0.00 151 A 8.72 4.06 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 0.00 152 E 8.16 3.97 0.00 1.99 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 2.30 2.35 0.00 153 K 7.72 4.27 0.00 2.21 2.17 0.00 1.86 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.67 7.81 154 R 7.90 3.90 0.00 1.95 1.87 0.00 3.16 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.01 0.00 155 T 7.32 3.83 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 156 G 8.77 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 0.00 157 V 7.02 3.48 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 -0.21 0.00 0.00 158 P 0.00 4.31 0.00 2.20 1.96 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 159 G 9.21 4.12 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 0.00 160 L 7.33 4.17 0.00 1.52 1.32 0.54 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.