NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6048 8.3049 120.3265 54.9137 35.7114 175.5249 2 D 4.5553 8.3595 112.1164 53.7687 40.9552 177.3163 3 G 4.1069 9.9013 117.5250 44.4759 0.0000 171.2059 4 V 4.2887 8.0221 115.5556 62.2701 38.1606 173.8608 5 M 3.0063 8.1469 121.8713 55.5920 29.5532 174.8783 6 S 4.8582 9.1903 118.2576 56.8330 66.4408 173.3401 7 A 5.2023 8.0440 130.8888 54.0455 16.6623 176.9391 8 V 5.4629 6.7696 113.1309 62.0628 34.2701 173.6678 9 T 4.6394 8.3165 117.7000 62.1788 72.9956 173.4161 10 V 4.5472 8.4503 119.4738 60.1050 31.8072 175.9428 11 N 4.7486 8.2702 131.0625 53.4997 39.2383 176.1180 12 D 4.8668 8.7069 123.7054 55.1444 41.7429 175.9702 13 D 4.9390 8.1633 119.2466 53.4634 44.5528 176.6189 14 G 4.8793 7.1814 107.9453 45.5355 0.0000 173.9776 15 L 4.9309 7.7840 124.0734 54.0393 43.9637 173.5862 16 V 4.6951 8.9414 121.0056 61.3239 34.2903 174.6111 17 L 4.6136 9.3716 128.2721 53.2930 43.7428 175.6183 18 R 5.5115 9.6055 125.0341 53.7852 32.2263 175.6059 19 L 4.8367 8.2582 123.6100 54.6711 45.0209 174.0127 20 Y 4.6078 9.2170 120.4243 55.8446 40.0569 174.8586 21 I 3.8292 8.5734 129.0478 61.4306 38.1568 176.7531 22 Q 4.3874 8.8893 125.8861 53.2664 29.7559 173.4082 23 P 5.1406 0.0000 0.0000 61.3978 32.8267 175.3462 24 K 3.6594 7.7747 116.4602 57.7745 28.8946 176.8761 25 A 4.3320 7.7079 121.6737 51.5566 20.0074 179.6850 26 S 6.0597 7.2907 125.9738 59.6425 63.0431 177.5946 27 R 4.3559 7.0517 112.7286 55.1832 31.2915 175.4985 28 D 4.7797 9.0184 122.4036 54.8548 39.1995 174.5505 29 S 4.7441 8.9260 118.2699 56.4414 67.1041 173.6916 30 I 4.5967 8.5991 118.6436 59.7298 36.2005 175.0001 31 V 4.4291 8.0765 125.7702 63.0292 32.1347 175.7784 32 G 4.3519 7.8130 105.2550 45.1202 0.0000 173.0404 33 L 4.5393 8.3067 121.1001 54.6955 41.8959 176.6938 34 H 4.9079 9.0049 124.4276 54.2978 31.9546 176.1095 35 G 3.3031 8.1839 110.9178 47.5159 0.0000 174.0927 36 D 4.8664 7.7131 116.8199 53.9809 43.4294 174.7059 37 E 4.8081 7.7596 117.0955 54.6815 33.6980 173.8993 38 V 4.7034 8.1369 117.9715 61.7312 34.8670 173.7404 39 K 5.1728 8.9972 129.6786 54.7433 34.6185 174.8373 40 V 4.5006 8.4321 127.2077 59.7743 34.6884 174.7238 41 A 5.4640 8.5268 125.1760 49.8432 20.6630 175.5219 42 I 4.2838 8.0524 122.2748 60.3859 40.2917 175.2464 43 T 4.5411 8.3818 121.2073 62.4018 66.8487 174.0969 44 A 4.6314 7.7521 120.9671 49.1080 21.8475 176.2540 45 P 4.1738 0.0000 0.0000 62.1973 31.8207 175.2238 46 P 4.6175 0.0000 0.0000 63.2919 31.4299 176.8300 47 V 4.3446 7.1068 118.0231 59.7449 33.1253 176.4457 48 D 4.2751 8.8524 122.9779 57.9744 40.8624 179.4665 49 G 4.0736 7.8580 105.1964 47.8714 0.0000 175.5350 50 Q 4.0305 8.0095 119.9539 58.1382 29.0708 178.2189 51 A 3.8748 7.9686 121.7615 55.1840 18.4492 178.8367 52 N 4.1513 8.8774 116.7282 57.2498 38.7676 176.8639 53 S 4.1561 7.7168 115.1632 62.1792 62.8704 176.6276 54 H 4.2418 7.9701 118.7971 58.7372 28.3818 177.2329 55 L 4.2214 8.4576 122.7216 58.4774 42.0558 179.5134 56 V 3.7082 8.3006 119.1515 64.7209 31.0308 177.6410 57 K 4.0474 8.0241 120.9570 58.5775 32.1289 178.2925 58 F 4.2367 9.3296 121.7936 61.9677 39.2700 177.4834 59 L 4.2346 8.2508 118.5193 57.1245 41.5732 179.4473 60 G 3.8688 8.2248 105.0072 48.2640 0.0000 175.3529 61 K 4.0243 8.9688 121.4503 59.1179 32.1342 179.0854 62 Q 3.8194 8.2551 119.4137 59.2064 29.2797 178.0908 63 F 4.5311 9.5462 120.0893 56.8030 39.0137 177.2648 64 R 4.5553 7.5228 113.9390 55.8437 29.6380 178.0497 65 V 4.2329 7.1169 120.3336 61.9616 30.8378 177.9362 66 A 4.7813 8.3668 119.9997 49.9832 21.6665 177.3299 67 K 4.0332 8.5207 118.2945 59.6014 33.0505 179.1529 68 S 4.2500 8.0008 112.4315 59.8323 62.7233 174.1757 69 Q 4.2200 7.7314 118.2864 56.4411 29.2733 175.1951 70 V 4.3199 7.0781 117.4931 61.4849 30.7454 174.3830 71 V 4.2245 8.5055 128.2879 61.1079 33.7369 174.8568 72 I 4.4662 8.3112 129.3889 60.5554 36.7669 176.0955 73 E 4.2511 9.6544 126.2221 56.4859 29.8742 177.5014 74 K 4.6216 7.8192 125.4896 57.0342 36.2477 174.3886 75 G 3.9364 8.7986 110.3586 46.6510 0.0000 176.0165 76 E 3.8364 8.0506 119.7236 59.2172 29.5479 177.9757 77 L 5.0181 7.3231 113.0185 52.6325 43.3866 176.0022 78 G 4.3016 8.0312 108.1121 43.2334 0.0000 174.4564 79 R 3.3609 8.2923 119.3224 59.2329 31.2494 176.9887 80 H 4.9360 7.2406 115.3081 55.9236 30.3244 174.6218 81 K 4.8963 8.7007 120.2857 55.4971 36.0675 175.3135 82 Q 4.9399 9.0728 125.2045 54.5636 29.7278 174.0602 83 I 4.5010 8.5342 123.3360 60.5130 39.5622 174.9335 84 K 4.8625 8.9067 126.2716 54.8078 35.1268 174.9195 85 I 4.5834 9.0085 129.4187 60.0567 38.0327 175.1201 86 I 4.3813 8.5285 128.7870 60.3875 38.2744 175.7240 87 N 4.0749 8.1183 122.3499 53.1811 37.6977 172.6196 88 P 4.4279 0.0000 0.0000 63.7807 32.1355 176.0473 89 Q 4.4390 8.7586 117.4352 56.8344 31.5845 176.0330 90 Q 4.1792 7.8238 118.6193 54.3824 31.4511 172.7577 91 I 3.9730 7.9967 125.7894 58.1633 39.5822 173.9118 92 P 4.2909 0.0000 0.0000 61.4785 33.1915 175.3180 93 P 4.2292 0.0000 0.0000 66.3087 30.5960 178.1218 94 E 3.9605 8.2183 116.8228 59.8507 29.3437 179.3660 95 V 3.8297 7.8052 116.3821 65.2063 30.9746 177.6885 96 A 4.1142 7.8372 120.1619 54.8278 18.0133 179.1761 97 A 4.9410 8.5833 119.0547 54.7650 18.4256 178.8150 98 L 4.4201 7.4695 114.1471 55.2571 42.5296 177.3492 99 I 4.2514 7.4792 118.0663 62.5833 38.5520 176.3677 100 N 4.4564 9.6124 115.6547 53.1956 38.8468 174.8060 101 L 3.5364 7.8875 117.0179 55.7021 39.5247 174.0976 102 E 4.2822 8.3452 117.9153 57.4081 29.8533 176.9027 103 H 4.7281 7.7446 116.7208 54.9537 30.1721 174.1751 104 H 5.0840 7.8841 115.8351 54.8013 31.8795 173.4207 105 H 4.8756 8.3819 114.5725 56.5865 28.2174 172.3529 106 H 4.1091 8.1218 110.5735 57.8625 28.9044 173.4876 107 H 4.3465 8.0537 117.5571 56.0638 30.7486 174.9919 *108 H 4.5531 7.8292 119.9327 54.8548 28.6127 173.6315 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.60 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 2 D 8.36 4.56 0.00 2.69 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 0.00 0.00 0.00 0.00 3 G 9.90 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 4 V 8.02 4.29 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 0.77 0.00 0.00 0.93 0.00 0.00 5 M 8.15 3.01 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.67 0.00 6 S 9.19 4.86 0.00 3.97 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.04 5.20 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 8 V 6.77 5.46 2.14 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 0.51 0.00 0.00 1.02 0.00 0.00 9 T 8.32 4.64 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 1.26 0.00 0.00 10 V 8.45 4.55 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.94 0.00 0.00 11 N 8.27 4.75 0.00 2.69 2.72 0.00 0.00 6.87 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 12 D 8.71 4.87 0.00 2.64 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 13 D 8.16 4.94 0.00 2.71 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 14 G 7.18 4.88 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 0.00 15 L 7.78 4.93 0.00 1.72 1.76 1.11 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.94 4.70 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 0.96 0.00 0.00 0.93 0.00 0.00 17 L 9.37 4.61 0.00 1.40 1.53 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 18 R 9.61 5.51 0.00 1.78 1.88 0.00 3.10 0.00 0.00 3.33 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.40 0.00 19 L 8.26 4.84 0.00 1.97 1.79 0.94 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 9.22 4.61 0.00 3.03 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 21 I 8.57 3.83 1.77 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.82 0.76 0.00 0.00 22 Q 8.89 4.39 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 23 P 0.00 5.14 0.00 1.87 1.96 0.00 3.74 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.83 0.00 24 K 7.77 3.66 0.00 1.89 1.89 0.00 1.55 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.39 7.81 25 A 7.71 4.33 1.27 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 0.00 0.00 0.00 26 S 7.29 6.06 0.00 3.99 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 27 R 7.05 4.36 0.00 1.76 1.85 0.00 3.05 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.56 0.00 28 D 9.02 4.78 0.00 2.55 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 0.00 0.00 0.00 0.00 29 S 8.93 4.74 0.00 3.87 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.60 4.60 1.93 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 1.44 0.64 0.99 0.00 0.00 31 V 8.08 4.43 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.00 0.00 0.00 32 G 7.81 4.35 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 0.00 33 L 8.31 4.54 0.00 1.58 1.67 0.97 1.17 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 34 H 9.00 4.91 0.00 3.19 3.28 0.00 5.59 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 35 G 8.18 3.30 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 36 D 7.71 4.87 0.00 2.77 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 37 E 7.76 4.81 0.00 1.92 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 0.00 2.31 2.32 0.00 38 V 8.14 4.70 2.14 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 0.97 0.00 0.00 0.98 0.00 0.00 39 K 9.00 5.17 0.00 2.01 1.68 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.72 1.51 7.81 40 V 8.43 4.50 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 0.64 0.00 0.00 0.81 0.00 0.00 41 A 8.53 5.46 1.24 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 0.00 0.00 0.00 42 I 8.05 4.28 1.69 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 1.18 1.31 0.81 0.00 0.00 43 T 8.38 4.54 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 1.30 0.00 0.00 44 A 7.75 4.63 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 45 P 0.00 4.17 0.00 2.07 2.00 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 46 P 0.00 4.62 0.00 2.01 2.05 0.00 3.63 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 47 V 7.11 4.34 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 0.90 0.00 0.00 0.94 0.00 0.00 48 D 8.85 4.28 0.00 2.71 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.86 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.01 4.03 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 51 A 7.97 3.87 1.30 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 52 N 8.88 4.15 0.00 2.65 2.90 0.00 0.00 7.30 7.51 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 53 S 7.72 4.16 0.00 4.16 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 54 H 7.97 4.24 0.00 3.32 3.35 0.00 5.83 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.46 4.22 0.00 1.82 1.72 0.88 0.88 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 V 8.30 3.71 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 0.89 0.00 0.00 0.94 0.00 0.00 57 K 8.02 4.05 0.00 2.03 1.99 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.46 7.81 58 F 9.33 4.24 0.00 3.19 3.16 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 59 L 8.25 4.23 0.00 1.66 1.47 0.21 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.22 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 61 K 8.97 4.02 0.00 2.00 1.78 0.00 1.57 0.00 0.00 1.58 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.46 7.81 62 Q 8.26 3.82 0.00 1.58 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.78 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 63 F 9.55 4.53 0.00 3.06 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 64 R 7.52 4.56 0.00 1.93 2.03 0.00 3.11 0.00 0.00 2.97 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 65 V 7.12 4.23 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 0.94 0.00 0.00 1.16 0.00 0.00 66 A 8.37 4.78 1.27 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 0.00 0.00 0.00 67 K 8.52 4.03 0.00 1.95 2.08 0.00 1.51 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.43 7.81 68 S 8.00 4.25 0.00 3.85 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 69 Q 7.73 4.22 0.00 2.30 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.61 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 70 V 7.08 4.32 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 0.65 0.00 0.00 0.89 0.00 0.00 71 V 8.51 4.22 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 0.96 0.00 0.00 0.96 0.00 0.00 72 I 8.31 4.47 1.86 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 1.33 0.68 0.92 0.00 0.00 73 E 9.65 4.25 0.00 2.00 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 2.34 2.28 0.00 74 K 7.82 4.62 0.00 2.22 1.75 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.12 7.81 75 G 8.80 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 76 E 8.05 3.84 0.00 1.96 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 2.32 2.38 0.00 77 L 7.32 5.02 0.00 1.57 1.60 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.03 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 79 R 8.29 3.36 0.00 1.39 0.66 0.00 3.12 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.50 0.00 80 H 7.24 4.94 0.00 3.06 3.33 0.00 5.81 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.70 4.90 0.00 1.78 1.66 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.41 7.81 82 Q 9.07 4.94 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 83 I 8.53 4.50 1.79 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 1.08 0.90 0.80 0.00 0.00 84 K 8.91 4.86 0.00 1.70 1.59 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.42 1.51 7.81 85 I 9.01 4.58 1.80 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 0.69 0.17 0.99 0.00 0.00 86 I 8.53 4.38 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 1.29 0.68 1.05 0.00 0.00 87 N 8.12 4.07 0.00 2.73 2.79 0.00 0.00 7.14 7.55 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 88 P 0.00 4.43 0.00 2.28 2.20 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 89 Q 8.76 4.44 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.47 2.26 0.00 90 Q 7.82 4.18 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.77 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 91 I 8.00 3.97 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.01 0.87 0.00 0.00 92 P 0.00 4.29 0.00 2.10 1.77 0.00 2.95 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.62 0.00 93 P 0.00 4.23 0.00 2.24 2.31 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 94 E 8.22 3.96 0.00 1.98 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 2.38 2.50 0.00 95 V 7.81 3.83 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 1.23 0.00 0.00 1.13 0.00 0.00 96 A 7.84 4.11 1.33 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 0.00 0.00 97 A 8.58 4.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.47 4.42 0.00 1.69 1.74 0.92 0.79 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 99 I 7.48 4.25 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.65 0.93 0.00 0.00 100 N 9.61 4.46 0.00 2.99 2.89 0.00 0.00 7.13 7.73 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 0.00 101 L 7.89 3.54 0.00 1.84 1.62 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.35 4.28 0.00 2.07 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 2.50 2.30 0.00 103 H 7.74 4.73 0.00 3.08 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 7.88 5.08 0.00 3.22 3.22 0.00 5.52 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 H 8.38 4.88 0.00 3.24 3.33 0.00 5.87 0.00 0.00 0.00 0.00 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 H 8.12 4.11 0.00 3.23 3.34 0.00 5.74 0.00 0.00 0.00 0.00 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 H 8.05 4.35 0.00 2.68 3.06 0.00 6.01 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *108 H 7.83 4.55 0.00 2.92 3.04 0.00 5.92 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.