NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7972 8.2133 109.7448 45.6514 0.0000 174.8213 *2 F 4.3726 8.0376 115.9805 56.3856 40.4151 174.8566 3 A 4.0901 7.9218 125.1067 51.8193 18.4135 178.7798 4 G 3.9123 8.5301 112.4114 44.7551 0.0000 173.1577 5 S 4.2424 8.3890 113.8096 58.2035 63.4812 173.7424 6 I 4.5270 8.0821 123.3100 59.0557 39.4045 173.5701 7 P 4.8661 0.0000 0.0000 62.4796 30.4614 176.5595 *9 Y 4.5459 8.3458 117.3737 57.2979 40.1734 172.7495 10 I 4.9515 8.1013 126.7778 59.3970 40.6907 174.3310 11 R 4.9748 8.9725 126.6859 54.4112 33.1377 174.4699 12 V 4.6164 8.7862 125.7714 61.1544 34.2802 174.3054 13 V 4.5911 8.8008 129.5931 61.5898 32.3276 174.6492 14 S 5.0340 9.1868 124.6831 56.8353 64.2555 172.8617 15 I 5.3204 9.1319 120.0615 59.5651 41.1869 174.3373 16 T 5.2434 9.2144 120.1361 62.0000 72.1050 172.8269 17 A 5.0734 8.9556 128.3138 50.2647 20.9005 177.2028 18 Q 4.1393 8.8402 118.8591 58.0685 29.4942 177.1353 19 S 4.7163 7.4888 108.9708 55.4641 67.5013 174.7973 20 K 4.5861 8.5739 124.7589 59.0411 31.7396 178.7691 21 L 3.9415 7.8368 119.2290 58.4591 42.2238 178.5112 22 Q 4.1182 7.7401 116.0011 58.7823 28.8383 178.4034 23 F 4.3898 8.4182 121.6499 61.3134 39.5036 178.2271 24 D 4.4620 8.4308 117.0798 54.8661 40.4976 178.5769 *26 T 3.9720 7.8826 117.8481 63.6222 70.7112 176.4442 27 V 3.0403 7.2932 120.3935 66.3265 31.2955 178.2717 28 T 3.8193 7.7154 115.2640 66.5737 68.3479 176.1793 29 Y 3.9541 7.6959 121.0604 60.6491 38.8709 177.8260 30 F 4.0779 8.2870 119.1571 60.5039 38.6604 177.3380 31 E 3.9703 8.1415 117.8815 58.8024 29.5876 177.7108 32 N 4.7435 8.0508 113.9918 53.3320 39.3649 175.6842 33 V 4.0468 7.4092 117.1593 63.9471 33.1948 177.2706 34 W 4.1043 7.5482 127.1362 60.5839 30.7207 177.8554 35 S 4.5197 8.3375 116.4310 60.9426 62.4184 175.1462 36 P 4.2928 0.0000 0.0000 65.1486 31.1615 178.7148 37 K 3.9455 7.8247 117.8927 59.7846 32.1462 179.4438 38 V 3.8542 8.1874 112.7672 64.4223 31.3434 178.7537 39 I 3.9096 8.1836 120.1243 64.3796 36.7388 178.5661 40 S 4.1728 8.0988 114.0775 61.0395 62.8197 175.6692 41 L 4.4910 8.4889 119.3972 54.6708 41.9243 175.8617 42 G 3.4431 7.4464 111.9642 44.9277 0.0000 174.0219 43 A 3.7890 7.9067 123.7912 52.4160 18.5160 177.9566 44 I 4.1306 8.6695 122.1485 63.7454 37.9908 176.4286 45 S 4.7086 7.5528 113.7038 57.3165 66.3462 172.9075 46 A 4.9906 8.2540 121.6063 50.4220 21.9846 175.1797 47 E 4.8321 9.0548 119.0601 54.6580 33.8901 173.8804 48 F 4.9326 8.8054 121.9200 56.2876 42.2683 174.1169 49 V 4.3633 7.0607 124.6597 60.9838 34.2656 173.9353 50 Q 4.7525 8.9848 129.6378 55.5598 29.6891 175.0782 51 S 4.5440 8.7369 119.8979 59.1869 64.6906 172.8671 52 N 4.6907 7.5739 117.4145 52.2991 41.6277 173.6581 53 E 3.8380 8.8564 119.5015 59.1856 29.6577 177.8688 54 N 4.2951 7.5937 115.1576 52.0845 40.1500 173.9948 55 S 5.1745 7.3010 111.2689 56.6429 67.0456 173.2148 56 G 4.3740 8.8943 110.0772 47.1971 0.0000 173.6842 *58 Y 4.7263 8.0779 126.5143 57.2643 40.1699 173.4916 59 I 4.7127 8.2877 127.5636 59.3855 40.4974 174.5193 60 I 4.5585 8.6581 127.9454 59.6436 40.4502 174.1105 61 H 4.9707 8.8800 124.4045 54.4583 30.7640 173.7300 62 Y 5.0890 9.1307 121.0809 55.3291 40.8661 175.4270 63 P 4.2719 0.0000 0.0000 65.6781 31.9923 176.2226 64 D 4.9716 7.4736 116.2620 51.7516 43.4919 176.2002 65 K 2.8340 8.4297 120.4675 59.2817 32.0655 178.2475 66 Q 3.8167 7.9056 119.2395 59.5888 28.8602 178.4764 67 T 3.7891 8.5399 116.7012 66.5107 68.5476 176.4515 68 A 2.5800 7.4490 122.5292 54.7609 18.2712 179.8457 69 I 3.6022 7.6161 118.5854 64.2905 36.9329 178.6097 70 S 4.0178 7.8072 113.0726 61.3209 62.4622 176.0524 71 V 3.7357 7.8852 121.0923 66.0090 31.3366 177.5010 72 F 4.0701 8.0711 120.2507 61.6843 38.9665 176.8545 73 D 4.4146 8.0867 116.8042 56.3738 40.6368 177.7979 74 K 4.4351 7.8836 117.4161 55.8294 32.7670 176.4755 75 I 4.5912 7.0296 113.1043 58.5751 38.2415 177.7123 76 K 3.5416 8.1238 123.8789 60.2279 31.8551 175.6589 77 P 4.1706 0.0000 0.0000 65.7252 31.0162 178.3817 78 E 4.4601 7.7765 117.9963 58.8793 29.3376 179.2958 79 V 3.8742 7.3151 118.2214 66.2824 31.3637 177.7358 80 D 4.3538 8.0975 117.6459 57.3433 40.7937 178.2004 81 E 3.9214 8.1392 119.8121 59.1284 29.6108 179.0228 82 V 3.4150 7.7317 118.3081 66.0993 31.7918 178.0560 83 R 4.0360 8.4488 118.3902 59.6359 29.6376 179.0823 84 T 4.0294 7.5933 108.7963 63.8677 68.8594 175.6114 85 Q 4.5361 7.7549 117.9800 55.0052 29.9640 174.7117 86 N 5.2484 7.0810 115.1309 51.5958 43.4808 174.0785 87 R 4.3769 9.0460 122.9966 56.1737 31.1534 175.3840 88 I 5.3462 8.4523 118.9225 59.2353 41.2485 174.3917 89 Q 4.5987 9.1734 124.0494 54.5705 32.3557 173.5443 90 I 5.0578 8.5829 126.7185 59.9700 39.4461 175.1061 91 T 4.8104 8.8587 123.3854 61.7837 72.2231 172.8497 92 E 4.8222 8.0142 122.0202 55.2199 32.7938 173.9748 93 G 3.6665 7.1267 107.3329 45.9404 0.0000 172.5618 94 K 4.4582 8.4170 119.3172 55.5846 32.7144 177.3824 95 R 3.9107 8.3002 123.0227 56.3473 30.5008 176.4222 96 L 4.2617 8.4287 125.9906 57.2593 42.1910 176.7969 97 F 4.9385 7.0232 109.7234 55.8064 40.2540 173.0202 98 R 4.7131 8.5929 120.9848 54.4695 32.6950 174.4585 99 V 4.5351 8.6583 124.2027 61.0520 34.0315 174.8017 100 D 4.3413 8.4742 124.9418 53.7161 39.3242 174.9529 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 0 G 8.21 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 *2 F 8.04 4.37 0.00 3.11 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 7.92 4.09 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 4 G 8.53 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 5 S 8.39 4.24 0.00 4.01 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 6 I 8.08 4.53 1.90 0.00 0.00 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 1.49 0.94 0.94 0.00 0.00 7 P 0.00 4.87 0.00 2.26 1.71 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.99 0.00 *9 Y 8.35 4.55 0.00 3.09 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 10 I 8.10 4.95 1.62 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.33 0.69 0.00 0.00 11 R 8.97 4.97 0.00 2.00 1.92 0.00 3.34 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 12 V 8.79 4.62 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 0.86 0.00 0.00 0.79 0.00 0.00 13 V 8.80 4.59 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 1.04 0.00 0.00 1.13 0.00 0.00 14 S 9.19 5.03 0.00 3.88 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 15 I 9.13 5.32 2.25 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 1.81 1.04 1.27 0.00 0.00 16 T 9.21 5.24 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 1.23 0.00 0.00 17 A 8.96 5.07 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.84 4.14 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 19 S 7.49 4.72 0.00 4.06 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 20 K 8.57 4.59 0.00 1.91 1.89 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.26 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.55 1.67 7.81 21 L 7.84 3.94 0.00 1.67 1.70 0.92 0.72 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 Q 7.74 4.12 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.72 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 23 F 8.42 4.39 0.00 3.17 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.43 4.46 0.00 2.82 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 *26 T 7.88 3.97 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 0.85 0.00 0.00 27 V 7.29 3.04 1.69 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 0.61 0.00 0.00 -0.51 0.00 0.00 28 T 7.72 3.82 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 1.18 0.00 0.00 29 Y 7.70 3.95 0.00 2.89 2.82 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 30 F 8.29 4.08 0.00 2.81 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 0.00 0.00 0.00 31 E 8.14 3.97 0.00 2.02 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 0.00 2.32 2.37 0.00 32 N 8.05 4.74 0.00 2.81 2.80 0.00 0.00 6.79 6.96 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 33 V 7.41 4.05 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 0.00 0.00 0.76 0.00 0.00 0.73 0.00 0.00 34 W 7.55 4.10 0.00 3.41 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 35 S 8.34 4.52 0.00 4.21 4.04 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 36 P 0.00 4.29 0.00 2.17 2.12 0.00 3.70 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.16 0.00 37 K 7.82 3.95 0.00 1.97 1.98 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.50 7.81 38 V 8.19 3.85 2.39 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 1.12 0.00 0.00 1.36 0.00 0.00 39 I 8.18 3.91 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.89 0.93 0.00 0.00 40 S 8.10 4.17 0.00 4.05 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.49 4.49 0.00 1.77 1.81 0.94 0.73 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 42 G 7.45 3.44 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 0.00 0.00 0.00 43 A 7.91 3.79 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.67 4.13 1.91 0.00 0.00 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 1.29 0.89 0.89 0.00 0.00 45 S 7.55 4.71 0.00 3.77 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 46 A 8.25 4.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 9.05 4.83 0.00 1.98 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 2.06 2.14 0.00 48 F 8.81 4.93 0.00 3.09 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 49 V 7.06 4.36 1.85 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 0.86 0.00 0.00 0.82 0.00 0.00 50 Q 8.98 4.75 0.00 2.44 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.75 0.00 51 S 8.74 4.54 0.00 3.97 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 52 N 7.57 4.69 0.00 2.65 2.60 0.00 0.00 6.84 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 53 E 8.86 3.84 0.00 2.14 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 0.00 2.30 1.93 0.00 54 N 7.59 4.30 0.00 2.51 2.75 0.00 0.00 6.58 7.10 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 55 S 7.30 5.17 0.00 4.01 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 56 G 8.89 4.37 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 0.00 *58 Y 8.08 4.73 0.00 2.04 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 59 I 8.29 4.71 1.68 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.38 0.77 0.00 0.00 60 I 8.66 4.56 1.87 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.27 0.49 0.00 0.00 61 H 8.88 4.97 0.00 3.00 3.17 0.00 5.75 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 62 Y 9.13 5.09 0.00 3.13 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 63 P 0.00 4.27 0.00 2.23 2.24 0.00 4.09 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 2.04 0.00 64 D 7.47 4.97 0.00 3.00 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 65 K 8.43 2.83 0.00 1.69 1.68 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.13 0.57 7.81 66 Q 7.91 3.82 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 67 T 8.54 3.79 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 68 A 7.45 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.62 3.60 1.73 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.62 0.88 0.00 0.00 70 S 7.81 4.02 0.00 3.87 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 71 V 7.89 3.74 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 1.25 0.00 0.00 1.12 0.00 0.00 72 F 8.07 4.07 0.00 3.33 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 73 D 8.09 4.41 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.88 4.44 0.00 1.79 1.78 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.47 7.81 75 I 7.03 4.59 1.37 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.09 0.76 0.00 0.00 76 K 8.12 3.54 0.00 1.67 1.73 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.44 7.81 77 P 0.00 4.17 0.00 2.12 2.05 0.00 3.43 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 78 E 7.78 4.46 0.00 1.65 1.52 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 2.12 2.30 0.00 79 V 7.32 3.87 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 1.36 0.00 0.00 0.63 0.00 0.00 80 D 8.10 4.35 0.00 2.79 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 81 E 8.14 3.92 0.00 1.98 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 1.47 1.97 0.00 82 V 7.73 3.42 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 1.01 0.00 0.00 0.93 0.00 0.00 83 R 8.45 4.04 0.00 2.10 2.02 0.00 3.23 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.94 0.00 84 T 7.59 4.03 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 85 Q 7.75 4.54 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.69 0.00 0.00 0.00 0.00 0.00 2.18 2.40 0.00 86 N 7.08 5.25 0.00 2.82 2.84 0.00 0.00 6.89 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 87 R 9.05 4.38 0.00 1.93 1.97 0.00 3.06 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 88 I 8.45 5.35 2.10 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.97 1.06 0.00 0.00 89 Q 9.17 4.60 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 90 I 8.58 5.06 1.92 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.92 0.85 0.00 0.00 91 T 8.86 4.81 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 92 E 8.01 4.82 0.00 1.79 1.77 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 2.12 2.34 0.00 93 G 7.13 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.42 4.46 0.00 1.77 1.78 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.64 7.81 95 R 8.30 3.91 0.00 1.71 1.83 0.00 3.18 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.51 0.00 96 L 8.43 4.26 0.00 1.57 1.77 0.90 0.83 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 97 F 7.02 4.94 0.00 2.99 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 98 R 8.59 4.71 0.00 1.76 1.85 0.00 3.19 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 99 V 8.66 4.54 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.82 0.00 0.00 100 D 8.47 4.34 0.00 2.76 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 * Residues marked with a * may have inaccurate shift predictions.