NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 G 3.6065 8.3549 107.9996 45.2591 0.0000 173.9010 7 F 6.0293 8.2233 117.9073 53.3664 40.9881 173.6400 8 Y 5.0085 8.8156 120.2916 55.1508 42.2219 173.4755 9 I 4.9562 8.4380 119.9652 59.2899 40.2359 174.3834 10 R 4.8525 8.3474 124.5043 53.5388 33.1327 175.9798 11 R 4.9852 8.4324 125.9460 55.3917 28.5199 177.7686 *13 E 4.2572 8.5543 115.2914 55.4761 30.3627 175.7969 14 E 4.1640 9.0123 119.7259 59.7913 29.8429 178.9660 15 G 3.9179 8.1196 105.1794 46.5859 0.0000 174.3269 16 D 4.6777 8.8015 120.1360 55.2651 40.8007 177.3828 17 L 2.5384 7.4130 119.3396 58.8259 41.8937 178.6198 18 E 3.8480 7.8002 116.7623 59.7457 29.4725 179.5363 19 Q 4.0353 8.0118 117.6249 58.8552 28.7079 179.1073 20 V 3.8078 8.3852 120.5736 64.7742 31.6593 178.6403 21 T 3.8102 7.8526 116.4580 66.5305 68.0792 176.1955 22 E 3.9894 7.8929 119.7918 59.3502 29.3693 178.7344 23 T 4.0891 7.4870 114.8105 66.5193 68.5611 176.9250 24 L 4.1050 8.3975 121.2813 57.4075 41.4300 179.2848 25 K 4.0106 7.9401 117.9639 59.6301 31.9899 178.8671 26 V 3.7450 7.3100 117.0653 65.4037 31.4370 177.5582 27 L 4.2057 8.3401 120.0033 57.4528 42.4929 176.2291 28 T 4.5043 7.4042 109.1052 61.0156 70.1887 172.4539 29 T 3.8876 8.4728 118.7608 64.4072 68.7721 173.6002 30 V 3.9675 8.7132 125.5218 64.8423 32.9239 176.2186 31 G 3.6510 8.0564 104.2332 44.4763 0.0000 172.1129 32 T 4.2202 8.1555 115.7197 60.6238 66.7310 174.7408 33 I 4.4716 7.8966 122.5042 58.7013 39.6935 176.3902 34 T 4.1004 8.3334 122.5230 62.4152 70.3927 173.6814 35 P 4.3921 0.0000 0.0000 66.0227 31.1965 178.6021 36 E 3.9529 8.1710 117.7964 59.4071 29.4757 179.2966 37 S 4.0783 8.0190 114.3402 61.7401 63.0304 176.4704 38 F 4.0693 8.7102 123.5726 61.5309 39.0651 176.9478 39 C 4.0696 8.3442 116.3825 62.2954 27.8087 176.1866 40 K 3.8876 7.7234 120.4273 59.2020 31.5360 178.9209 41 L 3.5545 7.5360 120.5503 58.2545 41.6521 179.2352 42 I 3.4179 6.8979 118.2846 63.7492 37.2083 178.1428 43 K 4.0368 7.7930 120.6454 59.5880 32.0737 178.0094 44 Y 4.2254 8.0207 119.8127 60.8540 38.5275 178.3981 45 W 4.1344 8.1041 117.9631 59.0256 29.1437 177.2694 46 N 4.7428 8.0124 114.4838 53.6630 38.5557 175.3995 47 E 4.3343 7.7571 118.4406 57.3496 31.1759 176.5703 48 A 4.0032 7.8375 122.0880 52.7045 18.6196 176.3770 49 T 4.7340 8.2604 117.2026 60.2311 70.7828 173.0723 50 V 4.1982 8.5737 127.8070 60.8473 32.3965 175.4925 51 W 4.4329 8.9297 135.0000 58.0259 31.0656 174.6116 52 N 3.7292 7.2626 121.6276 50.9513 39.6010 174.2659 53 D 4.1314 7.4388 118.9029 56.7444 41.2965 177.2098 54 N 4.3489 7.1854 114.8211 53.3113 39.2003 174.8764 55 E 4.0928 8.6619 120.2325 59.6283 29.9106 177.9873 56 D 4.7177 7.3964 115.9228 52.8588 42.1801 172.6334 57 K 4.4954 7.7145 120.7195 53.8569 35.4494 174.8938 58 K 4.4288 8.6391 127.0601 55.0175 33.8062 174.9930 59 I 3.8060 7.5056 125.5586 59.6385 41.0936 174.7989 *61 Q 3.9715 8.6538 121.3977 56.3255 31.2033 175.1310 62 Y 4.5395 7.7554 114.8719 55.8708 39.1583 176.2224 63 N 5.1691 8.4105 120.1969 51.1255 38.5343 172.1841 64 P 4.3628 0.0000 0.0000 62.6792 34.0934 177.4270 *66 V 4.0691 8.1414 113.2250 61.5079 33.4345 174.4225 67 I 4.4922 8.4069 126.7499 60.3806 38.5487 175.1646 68 V 4.5631 8.8664 128.2063 61.9579 33.9905 176.3770 69 D 4.3822 9.1500 124.5348 54.6992 39.3428 175.9101 70 K 4.0815 8.2643 119.3203 57.7789 35.9646 175.3237 71 R 4.2039 9.7859 114.6788 57.8983 25.6877 177.5565 72 T 4.4232 7.8607 107.2655 63.9702 71.6327 173.7749 73 E 3.8973 8.4673 120.5668 57.6237 28.2012 174.1619 74 T 5.4180 7.4688 105.8659 58.6216 71.1966 173.5303 75 V 3.8471 8.8008 124.3862 63.8991 31.4574 175.0632 76 A 4.6107 9.1131 129.6995 53.2745 21.0818 176.2316 77 A 5.0154 7.5414 114.5908 51.4235 22.9494 175.3437 78 T 4.9276 8.7741 113.9778 60.8269 71.2244 172.9605 79 G 4.5717 8.4645 113.0700 45.5184 0.0000 171.3836 80 N 5.3725 8.8826 117.7871 51.2033 43.1177 172.9735 81 I 5.1674 8.0562 123.0519 59.4175 40.9374 174.1347 82 I 4.3279 8.8346 130.9049 60.0722 38.8891 174.6962 83 I 4.7055 8.2501 128.2768 59.7386 38.7070 174.8760 84 E 4.6429 8.8528 126.7800 54.3906 33.2098 174.2460 85 R 4.9975 8.6081 124.5714 54.8954 32.0328 175.8297 86 K 4.5960 8.9809 123.5856 55.0858 35.4440 176.8437 87 I 3.9746 8.2294 119.7971 63.3715 38.1326 176.8486 88 I 4.0043 7.4818 112.6688 61.3556 38.3892 174.5751 89 H 3.9580 9.0435 115.1777 57.9569 26.1934 175.2643 90 E 3.6504 8.6841 113.7834 58.0936 27.5436 175.7926 91 L 4.4537 7.6447 114.3705 55.0156 40.0502 175.1030 92 G 4.2222 8.2890 106.5963 45.8634 0.0000 172.8291 93 L 5.2902 8.5719 119.5264 53.1358 44.3472 175.3774 94 C 4.7417 8.9664 122.9631 57.4635 34.8927 173.0445 95 G 4.3382 8.8279 113.2511 45.1136 0.0000 172.5292 96 H 5.2553 9.0324 118.2941 53.5911 32.0158 172.8487 97 I 4.4284 8.3272 125.4950 61.1949 37.7216 175.6803 98 E 4.5523 9.8878 126.1914 54.2966 34.7225 174.4330 99 D 4.4442 8.3816 117.9138 55.6057 38.3522 173.9266 100 I 4.4322 7.4482 117.7974 61.1062 38.9936 177.7641 101 A 4.4010 8.7905 127.5373 51.2902 22.5848 175.1342 102 V 4.3611 8.3574 123.4344 61.8388 32.4932 175.5558 103 N 4.5008 8.9969 125.6173 55.3034 38.4683 175.3204 *107 Q 4.2051 8.2401 116.5795 56.7919 30.6273 178.0218 108 G 3.6865 6.9444 107.4054 45.9682 0.0000 175.4619 109 Q 4.2520 9.1577 121.8081 57.9571 32.1914 172.6602 110 G 4.1117 9.1069 112.8342 43.9717 0.0000 174.8298 111 L 4.7411 8.3614 124.9537 52.1564 45.1904 176.9790 112 G 3.7328 8.8056 110.5700 47.2046 0.0000 175.6006 113 K 4.0110 8.1668 121.4039 59.2972 32.1049 178.6454 114 L 4.1287 7.7444 118.8542 57.2095 41.8773 178.8404 115 L 3.9923 7.7242 120.5344 58.1752 42.0428 179.1164 116 I 3.8738 8.0678 120.0025 64.3103 36.8552 177.8020 117 D 4.3975 7.8650 117.3463 56.5390 41.2999 177.9427 118 Q 4.1156 7.7379 122.0040 58.5985 29.3086 177.4300 119 L 3.9372 7.7077 119.6206 58.0154 41.7280 179.6881 120 V 3.6326 7.9317 117.7466 66.5234 30.9583 177.8228 121 T 3.9097 7.8643 115.0989 66.9306 68.3632 176.0929 122 I 3.5088 7.8455 120.9154 64.5869 37.1200 178.4999 123 G 3.5055 7.8260 105.7968 47.9179 0.0000 175.8263 124 F 4.3270 8.2459 120.2323 60.0720 38.6457 177.6734 125 D 4.4296 8.3129 118.6683 57.5063 40.6601 178.0390 126 Y 4.6111 7.6878 116.6070 60.2199 37.8779 176.4354 127 G 3.9399 7.3999 105.6461 45.2089 0.0000 173.7740 128 C 4.2378 7.9821 119.2197 59.9361 28.3112 173.6323 129 Y 4.5044 8.2858 122.2999 58.3611 38.5973 175.2337 130 K 4.5319 6.4878 120.3650 55.3315 35.7083 174.0681 131 I 4.9909 8.1868 125.4510 59.4264 40.7313 174.5088 132 I 4.5920 8.4957 119.1644 59.2737 41.3952 173.8183 133 L 4.4555 7.6156 120.1641 55.0624 42.5438 173.9313 134 D 4.8623 8.3584 120.2244 52.8865 43.2763 175.2063 135 C 4.7714 7.8911 115.3235 56.8709 32.9584 173.2253 136 D 4.6733 8.4732 119.3732 53.7901 41.4406 177.6068 137 E 4.0071 8.8837 121.3620 59.6851 29.2181 179.5468 138 K 3.8980 8.1934 118.0476 58.9700 32.5071 177.1667 139 N 4.9347 8.1414 114.6411 52.9353 39.0212 176.6469 140 V 3.7273 7.9042 121.5476 66.1369 31.5748 177.6267 141 K 4.8725 8.1787 118.8140 59.2453 31.7295 178.6795 142 F 4.3344 8.4075 119.9067 61.2571 39.1625 175.8772 143 Y 4.1857 7.7317 114.6858 59.0576 37.9175 177.5247 144 E 5.0564 8.5043 121.2317 58.1554 29.3826 178.3803 145 K 4.2871 7.7559 116.2631 57.4567 32.5274 177.5662 146 C 4.4940 6.9390 116.7559 59.0999 28.6398 174.1557 147 G 3.8913 7.5075 108.4046 45.0557 0.0000 174.1387 148 F 4.5969 8.2692 120.1325 56.9659 39.6547 175.1956 149 S 4.9106 8.5419 119.7752 56.5746 63.8364 172.9850 150 N 4.5691 8.4855 122.4785 53.5990 39.3173 174.6045 151 A 4.6136 9.1921 123.8108 50.2665 21.3017 176.2628 152 G 3.8664 7.1113 100.4652 46.0078 0.0000 171.1756 153 V 4.2456 7.8484 118.4657 61.0435 33.3332 175.6621 154 E 4.2780 8.3132 126.7098 54.6030 31.2501 174.3844 *156 Q 4.1704 8.0607 118.4072 56.2966 29.5765 174.0056 157 I 4.5140 7.6920 116.0275 60.0507 40.8601 174.4081 158 R 4.2337 8.3650 123.9131 56.4816 30.8237 175.3105 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 6 G 8.35 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.22 6.03 0.00 2.96 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 8 Y 8.82 5.01 0.00 3.09 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 9 I 8.44 4.96 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 1.41 1.07 0.96 0.00 0.00 10 R 8.35 4.85 0.00 1.97 2.10 0.00 3.38 0.00 0.00 3.56 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 11 R 8.43 4.99 0.00 1.84 1.29 0.00 3.14 0.00 0.00 3.94 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 *13 E 8.55 4.26 0.00 2.26 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 2.61 0.00 14 E 9.01 4.16 0.00 2.02 2.12 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 2.30 2.38 0.00 15 G 8.12 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 0.00 0.00 0.00 16 D 8.80 4.68 0.00 2.96 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 17 L 7.41 2.54 0.00 1.16 1.34 0.07 0.78 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 18 E 7.80 3.85 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 19 Q 8.01 4.04 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 20 V 8.39 3.81 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 1.02 0.00 0.00 1.03 0.00 0.00 21 T 7.85 3.81 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 22 E 7.89 3.99 0.00 1.98 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 0.00 2.32 2.34 0.00 23 T 7.49 4.09 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 1.27 0.00 0.00 24 L 8.40 4.11 0.00 1.69 1.75 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.94 4.01 0.00 1.90 1.91 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.66 1.63 7.81 26 V 7.31 3.75 2.18 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 0.79 0.00 0.00 0.98 0.00 0.00 27 L 8.34 4.21 0.00 1.68 1.78 1.01 1.14 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 28 T 7.40 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 1.24 0.00 0.00 29 T 8.47 3.89 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 1.22 0.00 0.00 30 V 8.71 3.97 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 0.79 0.00 0.00 0.97 0.00 0.00 31 G 8.06 3.65 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 0.00 0.00 0.00 32 T 8.16 4.22 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 1.20 0.00 0.00 33 I 7.90 4.47 1.89 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 0.91 0.00 0.00 34 T 8.33 4.10 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 1.32 0.00 0.00 35 P 0.00 4.39 0.00 2.28 2.31 0.00 3.71 0.00 0.00 3.75 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 36 E 8.17 3.95 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 2.40 2.42 0.00 37 S 8.02 4.08 0.00 4.04 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 38 F 8.71 4.07 0.00 3.08 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 39 C 8.34 4.07 0.00 3.12 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 40 K 7.72 3.89 0.00 1.86 1.76 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.52 7.81 41 L 7.54 3.55 0.00 1.34 1.26 -0.26 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 42 I 6.90 3.42 1.70 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 0.38 0.30 0.85 0.00 0.00 43 K 7.79 4.04 0.00 2.05 1.88 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.44 7.81 44 Y 8.02 4.23 0.00 2.96 2.99 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 0.00 0.00 0.00 45 W 8.10 4.13 0.00 3.30 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 46 N 8.01 4.74 0.00 2.96 2.88 0.00 0.00 6.89 6.94 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 47 E 7.76 4.33 0.00 2.12 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 2.27 2.37 0.00 48 A 7.84 4.00 1.11 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 0.00 0.00 49 T 8.26 4.73 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 1.22 0.00 0.00 50 V 8.57 4.20 1.88 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 0.73 0.00 0.00 0.77 0.00 0.00 51 W 8.93 4.43 0.00 3.31 3.10 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 52 N 7.26 3.73 0.00 2.37 2.36 0.00 0.00 6.16 8.06 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 53 D 7.44 4.13 0.00 2.42 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 54 N 7.19 4.35 0.00 2.79 2.70 0.00 0.00 7.03 7.54 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 55 E 8.66 4.09 0.00 1.93 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 2.23 0.00 56 D 7.40 4.72 0.00 2.55 2.50 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 57 K 7.71 4.50 0.00 1.65 1.70 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.42 7.81 58 K 8.64 4.43 0.00 1.74 1.70 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.41 7.81 59 I 7.51 3.81 1.53 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 0.90 0.45 -0.03 0.00 0.00 *61 Q 8.65 3.97 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.90 0.00 0.00 0.00 0.00 0.00 1.54 2.26 0.00 62 Y 7.76 4.54 0.00 2.50 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 0.00 0.00 0.00 63 N 8.41 5.17 0.00 2.77 2.69 0.00 0.00 6.48 8.19 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 64 P 0.00 4.36 0.00 2.28 1.78 0.00 3.68 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 *66 V 8.14 4.07 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 0.95 0.00 0.00 1.00 0.00 0.00 67 I 8.41 4.49 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.60 0.86 0.00 0.00 68 V 8.87 4.56 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 0.94 0.00 0.00 0.67 0.00 0.00 69 D 9.15 4.38 0.00 3.25 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 70 K 8.26 4.08 0.00 1.79 1.78 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.54 7.81 71 R 9.79 4.20 0.00 1.87 2.13 0.00 3.43 0.00 0.00 4.01 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.45 0.00 72 T 7.86 4.42 4.26 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 1.23 0.00 0.00 73 E 8.47 3.90 0.00 2.16 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 2.28 2.39 0.00 74 T 7.47 5.42 4.33 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 1.29 0.00 0.00 75 V 8.80 3.85 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 0.78 0.00 0.00 0.97 0.00 0.00 76 A 9.11 4.61 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 77 A 7.54 5.02 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 78 T 8.77 4.93 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 1.32 0.00 0.00 79 G 8.46 4.57 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 0.00 0.00 0.00 80 N 8.88 5.37 0.00 2.65 2.51 0.00 0.00 6.49 7.97 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 81 I 8.06 5.17 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.95 0.88 0.00 0.00 82 I 8.83 4.33 1.70 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.04 0.56 0.00 0.00 83 I 8.25 4.71 1.66 0.00 0.00 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 1.17 0.66 0.79 0.00 0.00 84 E 8.85 4.64 0.00 1.87 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 2.18 2.22 0.00 85 R 8.61 5.00 0.00 1.79 1.93 0.00 3.76 0.00 0.00 3.49 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 86 K 8.98 4.60 0.00 1.76 1.77 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.46 7.81 87 I 8.23 3.97 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 1.46 0.78 0.91 0.00 0.00 88 I 7.48 4.00 1.68 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.40 0.86 0.00 0.00 89 H 9.04 3.96 0.00 2.77 2.81 0.00 5.87 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.68 3.65 0.00 2.06 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 2.24 2.38 0.00 91 L 7.64 4.45 0.00 1.89 1.90 1.10 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.29 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.57 5.29 0.00 1.62 1.54 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 94 C 8.97 4.74 0.00 2.73 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 95 G 8.83 4.34 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 0.00 96 H 9.03 5.26 0.00 2.99 3.11 0.00 5.64 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.33 4.43 1.68 0.00 0.00 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 1.21 0.41 0.91 0.00 0.00 98 E 9.89 4.55 0.00 1.72 1.80 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 2.17 2.25 0.00 99 D 8.38 4.44 0.00 2.86 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 0.00 100 I 7.45 4.43 2.03 0.00 0.00 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 1.38 0.54 1.07 0.00 0.00 101 A 8.79 4.40 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 0.00 102 V 8.36 4.36 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 0.78 0.00 0.00 0.91 0.00 0.00 103 N 9.00 4.50 0.00 2.73 2.85 0.00 0.00 7.23 6.85 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 *107 Q 8.24 4.21 0.00 2.28 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.46 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 108 G 6.94 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 0.00 109 Q 9.16 4.25 0.00 1.86 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 110 G 9.11 4.11 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 0.00 0.00 0.00 111 L 8.36 4.74 0.00 1.64 1.66 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.81 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 0.00 0.00 0.00 113 K 8.17 4.01 0.00 1.96 1.88 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.51 7.81 114 L 7.74 4.13 0.00 1.73 1.69 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.72 3.99 0.00 1.74 1.88 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.07 3.87 2.06 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.70 1.10 0.00 0.00 117 D 7.87 4.40 0.00 2.80 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 0.00 118 Q 7.74 4.12 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.49 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 119 L 7.71 3.94 0.00 1.95 1.74 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.93 3.63 2.33 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 1.29 0.00 0.00 1.08 0.00 0.00 121 T 7.86 3.91 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 0.00 122 I 7.85 3.51 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.84 0.54 0.00 0.00 123 G 7.83 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 0.00 0.00 0.00 124 F 8.25 4.33 0.00 3.08 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 0.00 125 D 8.31 4.43 0.00 2.67 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.69 4.61 0.00 3.14 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 G 7.40 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 0.00 128 C 7.98 4.24 0.00 2.67 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 0.00 129 Y 8.29 4.50 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 0.00 130 K 6.49 4.53 0.00 1.75 0.74 0.00 1.49 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.28 1.48 7.81 131 I 8.19 4.99 1.92 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.11 0.86 0.00 0.00 132 I 8.50 4.59 1.65 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 1.05 0.47 0.78 0.00 0.00 133 L 7.62 4.46 0.00 1.14 1.33 -0.14 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.36 4.86 0.00 2.55 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 0.00 135 C 7.89 4.77 0.00 3.21 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 0.00 136 D 8.47 4.67 0.00 2.80 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 0.00 137 E 8.88 4.01 0.00 2.00 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 2.43 2.34 0.00 138 K 8.19 3.90 0.00 1.77 1.90 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.56 7.81 139 N 8.14 4.93 0.00 3.15 3.16 0.00 0.00 6.46 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 0.00 140 V 7.90 3.73 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 1.27 0.00 0.00 1.11 0.00 0.00 141 K 8.18 4.87 0.00 1.87 1.92 0.00 2.06 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.36 7.81 142 F 8.41 4.33 0.00 2.88 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 0.00 143 Y 7.73 4.19 0.00 3.14 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 0.00 144 E 8.50 5.06 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.74 0.00 145 K 7.76 4.29 0.00 1.91 1.88 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.76 7.81 146 C 6.94 4.49 0.00 3.20 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 0.00 147 G 7.51 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 0.00 148 F 8.27 4.60 0.00 3.40 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 0.00 149 S 8.54 4.91 0.00 3.87 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 0.00 150 N 8.49 4.57 0.00 2.75 2.72 0.00 0.00 6.71 7.96 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 0.00 151 A 9.19 4.61 1.23 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 0.00 0.00 152 G 7.11 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 0.00 0.00 0.00 153 V 7.85 4.25 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 0.82 0.00 0.00 0.93 0.00 0.00 154 E 8.31 4.28 0.00 1.92 1.82 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 2.20 2.51 0.00 *156 Q 8.06 4.17 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.45 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 157 I 7.69 4.51 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 1.42 0.63 0.91 0.00 0.00 158 R 8.36 4.23 0.00 1.79 1.75 0.00 3.30 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.