NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 V 3.8886 7.9127 114.0414 60.7712 33.8497 176.5051 29 R 3.8273 8.1227 122.1060 59.3347 29.8153 176.9868 30 G 3.6947 8.5275 106.9130 47.5168 0.0000 174.8139 31 A 3.8904 7.6546 121.7101 55.1056 18.5314 179.1836 32 I 3.8208 7.5136 116.7489 64.7886 37.5320 178.6549 33 F 4.5189 8.0558 117.9626 59.8852 38.4231 176.5965 34 N 4.7813 7.8370 115.8000 53.6036 38.9714 176.0697 *36 I 4.6078 7.8635 114.7349 60.3923 40.8652 175.8645 37 G 3.8266 7.9998 106.5864 44.9360 0.0000 175.1520 38 P 4.3038 0.0000 0.0000 64.0622 31.4272 175.4542 39 Y 4.6355 7.2810 115.1080 55.9424 41.3799 174.2649 40 F 5.2702 9.0432 120.1495 56.2566 42.2404 175.3334 41 N 4.9533 8.9962 117.2871 53.1264 38.9622 176.6676 42 G 3.9491 7.3992 102.5509 45.5790 0.0000 173.1311 43 G 3.9796 7.6991 104.8305 43.4668 0.0000 172.3339 44 R 5.0518 9.3419 118.9839 54.3959 32.6427 175.9973 45 V 4.9573 8.7121 122.8876 61.0474 34.8752 173.9737 46 L 4.7362 8.7538 128.4012 53.2552 44.3427 174.5303 47 D 5.2662 9.0319 127.4545 52.4468 41.7096 176.2795 48 L 3.7837 8.5230 126.3305 56.3927 42.1590 178.0061 49 F 4.8285 7.6980 115.5942 55.2002 39.5938 174.0288 50 A 4.4615 8.4153 126.5483 52.5448 20.3428 181.2250 51 G 4.1580 8.4279 103.1584 47.1396 0.0000 176.1799 52 S 4.1645 9.0874 119.7984 58.8468 62.7742 174.0600 53 G 3.9123 8.9478 109.4666 45.4201 0.0000 175.3499 54 G 3.8630 8.1782 106.7806 48.1321 0.0000 175.3632 55 L 3.8339 7.7961 120.9981 57.1743 41.6492 179.4272 56 A 4.2467 7.6582 119.0391 55.3726 18.3914 179.7176 57 I 3.7436 7.8777 118.3183 64.6382 37.0855 178.3926 58 E 3.8922 8.4173 119.9187 58.9178 29.1739 178.6420 59 A 4.2651 8.1573 120.2482 55.3333 18.8903 179.4806 60 V 3.7700 8.1365 116.8009 66.1448 31.3911 177.9891 61 S 4.2206 8.1296 111.9232 61.5170 62.5278 175.6576 62 R 4.5194 8.3529 118.6852 55.7382 31.2321 174.3379 63 G 3.4661 7.6320 107.8603 46.3209 0.0000 174.3466 *65 S 4.4685 7.6728 117.6539 58.3049 65.6895 175.2421 66 A 4.6973 7.8741 118.1721 50.9252 23.3294 174.5616 67 A 5.2477 8.8870 119.5166 50.8355 23.3014 175.5455 68 V 4.7370 9.2096 122.2448 61.2503 33.8633 174.3236 69 L 5.1615 9.2307 128.4236 52.9705 44.3965 175.5293 70 V 4.7285 8.6037 123.7152 61.1313 34.2013 174.1657 71 E 4.7457 8.9004 127.4892 55.7656 32.7615 175.4313 72 K 4.1749 8.8835 127.9389 57.0447 33.3494 176.1289 73 N 4.3312 8.4596 117.8327 53.9975 39.1091 174.8098 74 R 3.9202 8.7753 127.7489 59.7545 29.8184 179.0409 75 K 3.8840 8.1909 117.5013 59.3863 31.9130 179.3607 76 A 3.7988 8.1994 120.6478 54.8899 18.2365 179.2216 77 Q 3.9043 8.0261 116.5090 59.2789 28.8533 178.9085 78 A 3.9909 7.4678 121.0077 55.5196 18.3563 179.7135 79 I 3.6186 7.2565 117.5972 64.5991 37.1172 178.7113 80 I 3.7638 7.9649 120.7575 64.4470 36.9627 178.3047 81 Q 3.9812 8.3269 119.1362 59.3706 28.3822 179.0605 82 D 4.3813 7.8286 118.2432 57.3747 40.8930 178.3009 83 N 4.4378 8.1193 116.3905 56.2913 38.5686 177.2556 84 I 3.5855 7.6542 120.6116 63.8796 37.2148 178.9835 85 I 4.0180 7.5877 121.8701 61.2730 36.6662 177.8772 *87 T 4.1743 7.9021 110.2711 60.1050 70.5668 174.5737 88 K 3.9660 8.1587 120.2979 56.7995 31.9754 175.2021 89 A 4.8567 7.9178 120.6789 51.5469 19.5636 178.1903 90 E 4.3848 8.6688 121.0072 60.8011 29.7308 178.5690 91 N 4.5924 8.1533 114.4180 54.8681 38.8083 175.4559 92 R 4.1557 8.1074 117.4269 56.2336 30.4828 175.4425 93 F 5.4028 8.0385 117.2476 55.8559 42.1568 174.7980 94 T 4.5804 9.1819 120.0844 61.7728 71.2069 172.6331 95 L 4.9740 8.6341 129.2104 53.7181 43.6372 175.4068 96 L 4.6881 9.2559 126.4772 52.8460 44.6512 175.5769 97 K 5.0748 8.5799 125.7588 54.3796 32.2017 175.3683 *99 E 4.0771 8.4683 126.0982 55.6283 31.0847 177.1562 100 A 3.7186 8.4474 123.7312 55.4344 18.1440 180.0330 101 E 3.8866 8.0751 115.2379 59.5311 29.9824 179.1923 102 R 3.9870 7.9038 117.8578 59.3758 30.2167 178.0767 103 A 3.9875 8.1200 120.7387 55.4777 18.1192 179.7172 104 I 3.6525 7.6651 116.9969 64.2996 37.2325 177.6895 105 D 4.6028 7.7813 117.1497 55.5083 40.9830 176.6630 106 C 4.6754 7.6759 115.4229 60.1613 30.4978 174.5567 107 L 4.3045 7.9563 119.0879 54.7694 41.8011 176.2081 108 T 4.5469 7.7059 110.3266 60.7983 71.7254 173.6765 109 G 3.7963 8.4780 110.4701 45.0449 0.0000 172.3607 110 R 4.6127 7.9131 115.8287 54.1527 33.4895 174.9548 111 F 4.8431 8.9946 119.1940 56.1463 41.2785 176.2567 112 D 4.5436 9.1511 122.1445 55.5485 42.6541 176.2242 113 L 4.5897 7.7852 120.1512 53.1383 45.5469 175.1150 114 V 4.6468 8.1946 125.5144 61.0165 34.8045 173.6914 115 F 5.3045 9.3288 126.7223 55.9116 41.3641 174.6608 116 L 4.8833 9.4987 124.4331 52.6031 43.6182 175.5492 117 D 5.1437 8.3964 124.8559 51.7709 41.1184 173.5393 118 P 3.2840 0.0000 0.0000 60.8064 32.8463 175.4827 119 P 4.3630 0.0000 0.0000 62.5577 32.3901 176.3677 120 Y 3.9879 8.9261 121.0936 61.0450 38.5351 178.8564 121 A 4.0265 8.1616 119.9759 54.2243 18.5674 177.9363 122 K 4.3486 7.6087 113.0051 55.8393 32.9867 176.1541 123 E 3.8226 7.6279 121.3496 56.5535 30.3058 177.5951 124 T 4.6663 8.0574 117.6368 59.0754 69.1442 174.3134 125 I 3.6430 8.9417 127.7984 65.4379 37.7415 178.3717 126 V 3.4322 7.7148 117.7438 65.9844 31.4130 177.6825 127 A 3.9821 7.8992 119.9253 55.4522 18.1815 179.5697 128 T 3.8207 8.2594 114.5841 66.9267 68.4710 177.0641 129 I 3.6777 7.9158 121.8247 64.3445 36.9874 178.3607 130 E 3.9023 8.3265 119.3018 59.2059 29.1956 179.3331 131 A 3.9620 8.1021 120.9309 55.0787 18.4942 179.6172 132 L 3.9167 8.2005 117.5887 57.9563 41.7797 179.7157 133 A 3.9866 8.3062 120.6675 55.1592 18.1180 179.6117 134 A 4.0348 8.1355 118.4341 54.6163 18.4525 178.9554 135 K 4.2962 8.0004 114.8243 55.2291 32.6786 176.3556 136 N 4.1832 7.7403 115.3780 54.5510 36.7929 174.6734 137 L 4.8432 7.9448 115.5492 54.2551 43.2926 176.8147 138 L 5.1420 7.6466 119.4053 52.9823 43.3625 176.7659 139 S 4.3520 8.8563 120.0604 58.2048 63.3880 174.5190 140 E 3.9814 8.9335 120.9389 59.5093 29.1725 178.2856 141 Q 4.3672 7.7680 119.9319 54.1845 28.1186 174.7010 142 V 5.1441 7.4650 124.2601 58.7748 35.5672 174.1482 *144 V 4.0419 8.2321 120.0591 63.4885 32.9737 175.7316 145 V 4.6639 8.7213 129.9312 61.9834 32.8694 174.1759 146 C 5.3943 9.3908 126.7252 58.0197 30.7094 172.5484 147 E 5.2357 9.1068 124.7319 54.7380 31.5737 174.8302 148 T 4.8222 8.7432 116.0890 59.9077 73.3085 172.7291 149 D 4.7260 8.7082 120.2717 54.0871 41.4684 177.9793 150 K 3.8407 8.6326 123.0868 59.7805 32.2247 178.0336 151 T 4.1401 7.7484 106.0873 62.2770 69.3272 174.5272 152 V 3.8130 7.6421 123.7978 62.5512 31.8516 174.9097 153 L 4.5953 8.4018 127.4611 53.3371 42.9266 175.9191 154 L 4.9152 8.1433 122.5820 51.8482 44.4473 174.7184 155 P 4.5455 0.0000 0.0000 62.4502 32.2911 177.7388 156 K 4.2149 8.7119 119.3046 58.8232 32.3680 177.0027 157 E 5.3721 7.6385 113.5609 54.5469 33.1826 175.2160 158 I 4.4612 8.3892 122.3831 60.6137 41.8215 174.7146 159 A 3.9113 8.2349 128.7525 54.0560 16.9682 177.7838 160 T 4.4275 8.4594 109.3973 63.8473 69.3026 173.9241 161 L 5.0463 8.1940 123.4522 54.1298 43.9866 175.7713 162 G 4.6621 8.9932 107.2255 44.3381 0.0000 171.9955 163 I 3.7717 8.3506 123.3867 61.2666 36.9298 175.5990 164 W 4.7886 9.4924 135.0000 58.8929 31.7755 176.3729 165 K 4.4572 7.5246 116.7833 54.6977 36.4151 175.1992 166 E 4.8849 8.2129 122.8210 54.9937 32.6419 174.0705 167 K 4.3618 9.0914 128.3196 54.5239 35.8245 174.7473 168 I 4.6491 8.2204 127.9627 59.5943 39.1641 174.5528 169 Y 4.7154 7.6095 125.1359 56.0370 40.9929 174.8568 170 G 4.1427 8.8209 113.1492 46.4423 0.0000 173.9964 171 I 4.2413 8.3583 117.7680 60.4410 37.7563 174.8637 172 S 5.2758 7.6415 114.9750 56.6376 66.7801 172.6885 173 K 4.6219 8.9994 120.9151 54.5723 35.7295 174.7631 174 V 4.8438 8.6501 127.0299 61.4375 34.0704 174.1547 175 T 4.8485 9.0895 124.9395 61.6446 71.6481 173.0544 176 V 4.8468 8.7262 126.8864 61.4657 33.6560 173.7729 177 Y 5.1769 9.0923 126.4317 56.7867 39.6938 175.6449 178 V 5.1323 9.0849 115.4169 58.1934 36.7644 174.8155 179 N 4.8109 8.6732 119.7189 52.5043 38.8638 174.0018 180 E 4.0676 7.9727 122.6241 58.0216 29.8765 177.0359 181 G 3.9080 8.9441 114.3114 45.4118 0.0000 172.4305 182 H 4.1993 7.6581 119.3585 56.0450 30.2258 175.0438 183 H 4.4223 8.0834 124.0031 55.5158 29.2425 175.0834 184 H 4.3272 8.6358 118.4265 55.9393 28.9805 174.3187 185 H 4.5526 8.5261 117.7741 55.0560 29.6279 174.8448 186 H 4.4332 8.5806 124.0583 56.0040 30.6488 174.6267 187 H 4.6401 8.7245 122.0782 56.2003 28.7180 175.1450 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 28 V 7.91 3.89 1.79 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 0.49 0.00 0.00 0.90 0.00 0.00 29 R 8.12 3.83 0.00 2.00 1.98 0.00 3.38 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 30 G 8.53 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 31 A 7.65 3.89 0.88 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 0.00 0.00 32 I 7.51 3.82 1.70 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 1.59 0.73 0.68 0.00 0.00 33 F 8.06 4.52 0.00 3.13 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 34 N 7.84 4.78 0.00 2.95 2.84 0.00 0.00 6.96 7.52 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 *36 I 7.86 4.61 2.28 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.13 1.04 0.00 0.00 37 G 8.00 3.83 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 0.00 0.00 0.00 38 P 0.00 4.30 0.00 1.45 2.00 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 39 Y 7.28 4.64 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 40 F 9.04 5.27 0.00 3.02 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 9.00 4.95 0.00 2.75 2.84 0.00 0.00 7.08 7.65 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 42 G 7.40 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.70 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 44 R 9.34 5.05 0.00 1.63 1.88 0.00 2.92 0.00 0.00 2.91 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 45 V 8.71 4.96 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 1.19 0.00 0.00 0.98 0.00 0.00 46 L 8.75 4.74 0.00 0.27 0.81 0.54 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 47 D 9.03 5.27 0.00 2.87 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.52 3.78 0.00 1.48 0.94 0.82 0.81 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 49 F 7.70 4.83 0.00 3.06 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.42 4.46 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 51 G 8.43 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 0.00 0.00 0.00 0.00 52 S 9.09 4.16 0.00 3.83 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 53 G 8.95 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.18 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 55 L 7.80 3.83 0.00 1.49 0.34 0.64 0.33 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 56 A 7.66 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.88 3.74 1.83 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.58 0.81 0.00 0.00 58 E 8.42 3.89 0.00 2.16 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 2.09 1.47 0.00 59 A 8.16 4.27 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 0.00 0.00 0.00 0.00 0.00 60 V 8.14 3.77 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.95 0.00 0.00 61 S 8.13 4.22 0.00 4.05 4.02 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 62 R 8.35 4.52 0.00 1.90 1.87 0.00 2.33 0.00 0.00 2.25 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.67 0.00 63 G 7.63 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 *65 S 7.67 4.47 0.00 3.91 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 7.87 4.70 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.89 5.25 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 68 V 9.21 4.74 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 1.08 0.00 0.00 1.18 0.00 0.00 69 L 9.23 5.16 0.00 1.66 1.56 1.14 0.55 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 70 V 8.60 4.73 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 0.90 0.00 0.00 0.82 0.00 0.00 71 E 8.90 4.75 0.00 2.11 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 2.29 0.00 72 K 8.88 4.17 0.00 1.75 1.82 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.41 7.81 73 N 8.46 4.33 0.00 2.92 2.77 0.00 0.00 7.01 6.93 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 74 R 8.78 3.92 0.00 1.89 1.99 0.00 3.19 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 75 K 8.19 3.88 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 76 A 8.20 3.80 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.03 3.90 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 78 A 7.47 3.99 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 79 I 7.26 3.62 2.00 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 1.51 0.68 0.89 0.00 0.00 80 I 7.96 3.76 2.00 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 1.52 0.83 0.86 0.00 0.00 81 Q 8.33 3.98 0.00 2.21 2.16 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 2.65 2.56 0.00 82 D 7.83 4.38 0.00 2.78 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 83 N 8.12 4.44 0.00 2.72 2.76 0.00 0.00 7.08 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 84 I 7.65 3.59 1.96 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 0.94 0.44 1.04 0.00 0.00 85 I 7.59 4.02 2.00 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 1.60 1.22 0.92 0.00 0.00 *87 T 7.90 4.17 4.41 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 1.17 0.00 0.00 88 K 8.16 3.97 0.00 1.97 2.02 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.39 7.81 89 A 7.92 4.86 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.67 4.38 0.00 2.27 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 2.43 2.42 0.00 91 N 8.15 4.59 0.00 2.74 2.92 0.00 0.00 6.91 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 92 R 8.11 4.16 0.00 1.26 1.51 0.00 2.94 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 93 F 8.04 5.40 0.00 3.07 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 T 9.18 4.58 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 1.26 0.00 0.00 95 L 8.63 4.97 0.00 1.67 1.59 0.99 0.99 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 96 L 9.26 4.69 0.00 1.54 1.52 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.58 5.07 0.00 1.76 1.76 0.00 1.63 0.00 0.00 1.23 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.30 7.81 *99 E 8.47 4.08 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 2.30 2.27 0.00 100 A 8.45 3.72 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 0.00 101 E 8.08 3.89 0.00 1.92 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 2.33 2.46 0.00 102 R 7.90 3.99 0.00 1.86 2.01 0.00 3.18 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 103 A 8.12 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.67 3.65 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.69 0.91 0.00 0.00 105 D 7.78 4.60 0.00 2.82 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 0.00 106 C 7.68 4.68 0.00 2.93 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.96 4.30 0.00 1.74 1.82 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 108 T 7.71 4.55 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 1.21 0.00 0.00 109 G 8.48 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 0.00 110 R 7.91 4.61 0.00 1.66 1.82 0.00 3.12 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 111 F 8.99 4.84 0.00 3.01 2.88 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 0.00 112 D 9.15 4.54 0.00 2.66 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 0.00 113 L 7.79 4.59 0.00 1.47 1.26 0.51 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.19 4.65 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 0.96 0.00 0.00 0.88 0.00 0.00 115 F 9.33 5.30 0.00 3.01 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 0.00 116 L 9.50 4.88 0.00 1.61 1.71 0.96 0.83 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 0.00 117 D 8.40 5.14 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 0.00 118 P 0.00 3.28 0.00 1.54 0.49 0.00 3.88 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 119 P 0.00 4.36 0.00 2.24 2.21 0.00 3.32 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 8.26 3.82 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 1.26 0.00 0.00 129 I 7.92 3.68 1.70 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.72 0.77 0.00 0.00 130 E 8.33 3.90 0.00 2.14 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 2.28 2.56 0.00 131 A 8.10 3.96 1.39 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 0.00 0.00 132 L 8.20 3.92 0.00 1.85 1.74 0.90 0.98 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 0.00 133 A 8.31 3.99 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 0.00 134 A 8.14 4.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.00 4.30 0.00 1.80 1.86 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.58 1.74 7.81 136 N 7.74 4.18 0.00 2.84 2.86 0.00 0.00 6.85 7.77 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 0.00 137 L 7.94 4.84 0.00 1.81 1.93 1.03 0.52 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 0.00 138 L 7.65 5.14 0.00 1.53 1.60 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.86 4.35 0.00 3.78 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 0.00 140 E 8.93 3.98 0.00 1.92 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 2.30 2.33 0.00 141 Q 7.77 4.37 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 142 V 7.47 5.14 2.28 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 1.20 0.00 0.00 1.06 0.00 0.00 *144 V 8.23 4.04 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 1.01 0.00 0.00 0.94 0.00 0.00 145 V 8.72 4.66 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 1.01 0.00 0.00 0.90 0.00 0.00 146 C 9.39 5.39 0.00 3.04 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 0.00 147 E 9.11 5.24 0.00 1.97 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 2.23 2.26 0.00 148 T 8.74 4.82 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 0.00 149 D 8.71 4.73 0.00 2.92 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 0.00 150 K 8.63 3.84 0.00 1.73 1.84 0.00 1.97 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.36 7.81 151 T 7.75 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 1.20 0.00 0.00 152 V 7.64 3.81 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 0.77 0.00 0.00 1.09 0.00 0.00 153 L 8.40 4.60 0.00 1.68 1.59 0.93 0.97 0.00 0.00 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0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 162 G 8.99 4.66 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 0.00 0.00 0.00 163 I 8.35 3.77 1.74 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 0.02 0.33 0.74 0.00 0.00 164 W 9.49 4.79 0.00 3.13 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 0.00 165 K 7.52 4.46 0.00 1.07 1.15 0.00 0.61 0.00 0.00 1.09 0.00 0.00 2.26 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.61 0.21 7.81 166 E 8.21 4.88 0.00 1.76 1.64 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 2.07 2.17 0.00 167 K 9.09 4.36 0.00 1.58 1.08 0.00 1.64 0.00 0.00 1.97 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.05 1.26 7.81 168 I 8.22 4.65 1.76 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 1.27 0.62 0.87 0.00 0.00 169 Y 7.61 4.72 0.00 3.00 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 0.00 170 G 8.82 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 I 8.36 4.24 1.85 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 1.48 0.82 0.90 0.00 0.00 172 S 7.64 5.28 0.00 4.11 4.02 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 0.00 173 K 9.00 4.62 0.00 1.71 1.58 0.00 1.50 0.00 0.00 1.50 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.22 1.35 7.81 174 V 8.65 4.84 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 1.06 0.00 0.00 1.03 0.00 0.00 175 T 9.09 4.85 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 0.90 0.00 0.00 176 V 8.73 4.85 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 1.27 0.00 0.00 0.90 0.00 0.00 177 Y 9.09 5.18 0.00 2.90 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 0.00 178 V 9.08 5.13 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 0.81 0.00 0.00 0.89 0.00 0.00 179 N 8.67 4.81 0.00 2.84 2.96 0.00 0.00 5.62 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 0.00 180 E 7.97 4.07 0.00 2.04 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 2.33 2.30 0.00 181 G 8.94 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 0.00 0.00 0.00 182 H 7.66 4.20 0.00 3.26 3.03 0.00 5.76 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 0.00 183 H 8.08 4.42 0.00 3.05 3.11 0.00 5.76 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 H 8.64 4.33 0.00 3.30 3.32 0.00 5.52 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 H 8.53 4.55 0.00 3.21 3.36 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 H 8.58 4.43 0.00 3.09 3.17 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 H 8.72 4.64 0.00 3.27 3.25 0.00 5.78 0.00 0.00 0.00 0.00 6.91 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.