NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9938 8.2133 109.7439 45.4375 0.0000 174.7851 2 D 4.2429 8.7294 118.2701 57.2269 40.6277 177.1893 3 T 3.9812 7.9963 116.1532 66.9251 69.0835 175.9062 4 H 4.1196 8.2178 119.6207 59.3430 29.8707 176.8429 5 E 3.9106 8.2994 120.3632 59.2950 29.2910 179.0272 6 F 4.4318 8.3636 120.7106 61.9384 39.4771 176.9872 7 H 4.0439 8.4199 115.9757 58.5798 28.4057 177.9956 8 K 3.8912 8.1915 120.6047 59.2614 31.8100 178.9114 9 L 3.9127 8.0076 120.5914 58.2555 42.0634 179.0667 10 L 3.8672 7.6767 118.6967 57.8269 41.4744 179.5773 11 I 3.6285 7.6524 119.6422 64.3644 36.9488 178.6969 12 K 3.9003 8.1445 119.3572 59.1554 31.7127 179.4837 13 V 3.3600 7.9952 119.0388 66.0288 31.3321 178.2768 14 V 3.6231 7.4539 117.4376 66.0121 31.3398 177.5030 15 D 4.2846 8.1730 118.7253 57.5911 40.7293 179.0117 16 L 3.9734 8.1352 119.5220 57.5082 41.5480 179.3427 17 F 5.0990 8.3539 122.3062 61.0329 39.1883 177.2599 18 L 3.4951 7.9392 117.6725 57.5326 41.4354 178.9871 19 E 3.9773 8.0278 116.9968 56.8294 29.4488 176.8284 20 D 4.6001 7.8159 117.7654 55.2300 40.3940 175.9274 21 R 3.8922 8.1137 118.2708 58.3263 30.4434 177.2639 22 I 4.2803 7.4487 119.9185 60.0604 37.8228 176.7056 23 K 4.3164 8.8491 125.1180 58.7502 32.2505 176.9453 24 E 5.3324 7.8674 114.5911 55.5657 33.8810 174.0161 25 F 4.8680 8.3908 114.7379 56.7361 41.7299 172.6154 26 E 4.9137 8.3291 117.6609 54.0677 33.8342 174.3581 *28 K 4.2396 8.4610 119.9301 56.8780 33.2127 174.6945 29 L 4.7925 8.8654 124.3135 54.0609 46.8852 174.6660 30 N 5.4737 8.6815 118.8302 52.4910 39.4549 172.5074 31 T 4.8604 9.0196 116.3260 60.3401 72.0216 172.0907 32 T 5.0702 8.6989 124.2544 62.1456 69.9612 173.9717 33 L 4.7875 8.8059 127.4278 52.7824 44.0096 176.9117 34 D 5.0727 8.9380 121.7464 53.5747 42.1546 177.2200 35 E 4.1579 8.6217 119.8674 59.6484 29.3942 178.5359 36 L 3.9357 8.0145 119.7208 58.3258 41.6641 178.6413 37 E 3.9463 8.1881 117.8156 59.3908 29.4982 178.9467 38 F 3.9257 8.2736 120.5515 61.2580 39.3038 176.9400 39 E 3.7614 8.4355 118.5044 59.5097 29.0364 179.2631 40 E 3.8553 8.2068 117.7952 59.1116 29.5175 178.8422 41 L 3.9279 7.5982 119.8095 58.0073 42.2169 178.5229 42 I 3.7565 7.0423 117.5105 61.3505 37.8565 178.0279 43 G 3.8096 8.4357 107.9744 46.8497 0.0000 176.6956 44 K 4.5058 8.3997 114.9574 53.4652 32.0821 173.7726 45 P 3.9219 0.0000 0.0000 62.2367 32.3465 177.4049 46 D 4.5439 8.2938 119.9728 57.0828 41.3763 176.8138 47 S 4.7456 7.6007 112.4442 57.3982 67.5893 173.3338 48 S 5.0762 8.3489 116.4569 57.3434 67.1420 172.9800 49 N 5.0440 8.8489 119.8882 52.0136 42.7068 172.9928 50 S 5.2088 9.0149 118.3927 55.3063 65.4395 172.5783 51 A 4.8150 9.1615 128.8008 50.0581 21.7647 174.3307 52 E 4.2396 8.5964 122.8771 54.0817 31.4015 174.7895 53 N 4.6761 8.7007 124.2326 53.0565 41.8474 173.8734 54 N 4.2060 9.7310 123.8030 54.5289 36.1412 175.2646 55 G 3.8720 8.3209 103.3115 45.4449 0.0000 173.6082 56 I 4.6343 7.3669 120.4080 59.2518 40.6497 174.4400 57 F 4.9155 8.9770 125.4785 56.0557 41.0896 174.8335 58 I 5.0123 8.9368 124.3945 59.8463 39.2275 174.2269 59 D 5.2820 9.2258 127.3599 52.4357 43.8203 175.1080 60 E 4.4445 8.6985 123.4569 54.4562 32.2386 173.9653 61 Y 5.0646 8.7870 125.0651 56.2722 40.7736 174.9072 62 S 5.2714 8.7522 120.0573 56.9079 66.1775 172.7603 63 Y 4.9889 8.9792 121.2311 56.0138 40.9826 175.1988 64 D 4.3473 9.8861 125.2393 54.5668 41.3221 175.7469 65 A 4.3478 8.7183 127.7276 53.8039 19.5332 176.4755 66 S 4.5028 7.3990 109.0848 57.5142 66.8815 174.5023 67 E 3.8351 8.8386 118.6835 59.8727 28.9217 177.8813 68 N 4.3045 7.9231 113.5812 50.9288 39.2394 174.3705 69 A 4.9067 6.8789 121.6726 49.7420 21.3113 176.0754 *71 K 4.6024 8.1007 116.1523 56.5679 33.8902 175.6051 72 K 5.2115 9.4942 123.2781 54.5143 35.6890 174.7284 73 L 5.1645 9.3291 126.9987 53.3136 44.8978 174.7402 74 F 5.2940 9.5865 125.3528 55.7300 41.7845 174.7198 75 V 4.9076 9.0229 123.3401 61.1751 34.6083 173.5002 76 E 5.4087 9.4470 129.9778 54.9437 31.3253 174.1671 77 Y 5.4935 9.0713 124.3440 56.0058 42.3319 173.5224 78 V 4.6790 8.8712 120.8725 61.1280 33.8723 174.8869 79 R 4.1517 8.8655 127.4158 56.3765 30.4597 176.1241 80 Q 4.5500 8.7412 123.7693 53.2777 30.3820 174.0146 81 P 4.1579 0.0000 0.0000 63.5027 31.9407 175.8376 82 E 3.5405 8.7996 115.6458 57.7459 27.4357 174.5760 83 F 3.6042 6.6156 109.0292 59.1151 37.1723 175.0226 84 K 5.0719 7.1356 116.8652 54.8599 36.3546 176.5736 85 Y 4.8527 8.7546 119.0606 56.7134 41.7259 175.0290 86 T 4.7829 9.0530 123.3858 62.7717 69.7549 174.3572 87 V 4.5651 9.1137 128.7059 62.4404 32.4480 176.3179 88 L 5.3884 9.6835 128.0940 55.7364 43.7985 176.5144 89 S 4.9945 7.7973 110.6994 57.4849 66.2578 173.7873 90 I 5.2361 8.2653 120.5707 59.7673 41.7147 174.1486 91 K 4.1623 9.2221 126.4625 54.5350 36.2303 174.8757 92 G 3.2343 7.9861 113.9500 44.0008 0.0000 172.2064 93 V 5.2595 9.0805 118.1665 59.6959 35.8895 174.5628 94 N 5.2887 9.6738 120.7482 52.4999 40.1597 174.3022 95 D 4.9543 8.4660 120.1774 52.3931 45.3471 173.5514 96 W 4.9162 8.9519 134.6243 56.6208 31.9426 175.5910 97 V 4.6455 8.1569 119.3997 59.0616 35.7981 175.1336 98 R 3.9646 8.5003 123.0005 56.2368 30.6775 176.1754 99 E 4.0131 8.5492 124.2559 56.4764 29.6524 176.1151 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 G 8.21 3.99 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 0.00 0.00 0.00 2 D 8.73 4.24 0.00 2.78 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 3 T 8.00 3.98 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 4 H 8.22 4.12 0.00 3.26 3.34 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.30 3.91 0.00 2.26 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 2.64 2.49 0.00 6 F 8.36 4.43 0.00 3.08 3.23 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 7 H 8.42 4.04 0.00 3.36 3.24 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.19 3.89 0.00 1.87 1.80 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.25 7.81 9 L 8.01 3.91 0.00 1.76 1.93 0.96 0.61 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 10 L 7.68 3.87 0.00 1.74 1.56 0.37 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.65 3.63 1.95 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 1.50 0.59 0.84 0.00 0.00 12 K 8.14 3.90 0.00 1.91 1.80 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.55 7.81 13 V 8.00 3.36 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 0.18 0.00 0.00 0.80 0.00 0.00 14 V 7.45 3.62 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 1.11 0.00 0.00 1.05 0.00 0.00 15 D 8.17 4.28 0.00 2.83 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 16 L 8.14 3.97 0.00 1.75 1.69 0.91 1.31 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 17 F 8.35 5.10 0.00 3.18 3.37 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 18 L 7.94 3.50 0.00 1.54 1.42 0.43 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.03 3.98 0.00 2.06 1.95 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 2.28 2.42 0.00 20 D 7.82 4.60 0.00 2.82 2.66 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 21 R 8.11 3.89 0.00 1.85 1.96 0.00 3.18 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 22 I 7.45 4.28 2.07 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 1.42 0.62 1.10 0.00 0.00 23 K 8.85 4.32 0.00 1.86 1.96 0.00 1.85 0.00 0.00 0.61 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.42 7.81 24 E 7.87 5.33 0.00 1.90 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 2.46 2.47 0.00 25 F 8.39 4.87 0.00 3.14 3.09 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 26 E 8.33 4.91 0.00 1.80 1.83 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 2.05 2.04 0.00 *28 K 8.46 4.24 0.00 1.78 1.81 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.51 7.81 29 L 8.87 4.79 0.00 1.81 1.66 0.99 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.68 5.47 0.00 2.75 2.74 0.00 0.00 6.70 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 31 T 9.02 4.86 4.63 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 1.23 0.00 0.00 32 T 8.70 5.07 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 1.25 0.00 0.00 33 L 8.81 4.79 0.00 1.70 1.72 0.95 0.49 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 D 8.94 5.07 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 35 E 8.62 4.16 0.00 2.55 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 2.37 2.50 0.00 36 L 8.01 3.94 0.00 1.80 1.68 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.19 3.95 0.00 2.28 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 2.47 2.45 0.00 38 F 8.27 3.93 0.00 2.92 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 39 E 8.44 3.76 0.00 2.10 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 2.26 2.47 0.00 40 E 8.21 3.86 0.00 2.01 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 2.53 2.43 0.00 41 L 7.60 3.93 0.00 1.54 1.51 0.83 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.04 3.76 1.19 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.06 -0.19 0.00 0.00 43 G 8.44 3.81 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 0.00 44 K 8.40 4.51 0.00 1.72 1.71 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.30 7.81 45 P 0.00 3.92 0.00 2.04 1.02 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 1.90 1.62 0.00 46 D 8.29 4.54 0.00 2.50 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 47 S 7.60 4.75 0.00 3.64 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.35 5.08 0.00 3.72 3.68 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 49 N 8.85 5.04 0.00 2.74 2.51 0.00 0.00 6.79 7.26 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 50 S 9.01 5.21 0.00 3.97 3.81 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 51 A 9.16 4.81 1.21 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 52 E 8.60 4.24 0.00 1.16 1.49 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 1.76 1.47 0.00 53 N 8.70 4.68 0.00 2.62 2.49 0.00 0.00 6.92 6.71 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 54 N 9.73 4.21 0.00 2.80 2.82 0.00 0.00 7.20 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 55 G 8.32 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 56 I 7.37 4.63 1.89 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 1.21 0.75 0.94 0.00 0.00 57 F 8.98 4.92 0.00 1.68 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 58 I 8.94 5.01 1.93 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 0.77 1.07 0.00 0.00 59 D 9.23 5.28 0.00 2.66 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 0.00 0.00 0.00 60 E 8.70 4.44 0.00 1.78 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 1.79 1.47 0.00 61 Y 8.79 5.06 0.00 2.91 2.43 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 62 S 8.75 5.27 0.00 3.62 3.68 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 63 Y 8.98 4.99 0.00 2.69 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 64 D 9.89 4.35 0.00 2.61 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 65 A 8.72 4.35 1.21 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 66 S 7.40 4.50 0.00 3.79 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 67 E 8.84 3.84 0.00 2.09 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 2.22 2.26 0.00 68 N 7.92 4.30 0.00 1.44 1.42 0.00 0.00 7.43 7.31 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 69 A 6.88 4.91 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 *71 K 8.10 4.60 0.00 1.74 1.71 0.00 0.61 0.00 0.00 1.61 0.00 0.00 2.60 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.02 7.81 72 K 9.49 5.21 0.00 1.79 1.45 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.41 7.81 73 L 9.33 5.16 0.00 2.05 1.92 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 74 F 9.59 5.29 0.00 2.89 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 75 V 9.02 4.91 2.47 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 1.23 0.00 0.00 1.10 0.00 0.00 76 E 9.45 5.41 0.00 2.18 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 2.28 0.00 77 Y 9.07 5.49 0.00 3.32 3.23 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 78 V 8.87 4.68 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 1.07 0.00 0.00 0.97 0.00 0.00 79 R 8.87 4.15 0.00 1.77 1.71 0.00 2.99 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 80 Q 8.74 4.55 0.00 1.86 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 81 P 0.00 4.16 0.00 2.09 1.87 0.00 3.67 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 2.05 2.03 0.00 82 E 8.80 3.54 0.00 2.08 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 2.21 2.26 0.00 83 F 6.62 3.60 0.00 3.24 3.26 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 84 K 7.14 5.07 0.00 1.62 1.64 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.56 7.81 85 Y 8.75 4.85 0.00 2.47 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 0.00 0.00 0.00 0.00 86 T 9.05 4.78 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 1.29 0.00 0.00 87 V 9.11 4.57 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 1.10 0.00 0.00 1.17 0.00 0.00 88 L 9.68 5.39 0.00 1.79 1.75 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.80 4.99 0.00 3.89 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 90 I 8.27 5.24 2.10 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.41 1.09 0.00 0.00 91 K 9.22 4.16 0.00 1.59 1.51 0.00 1.37 0.00 0.00 1.30 0.00 0.00 2.73 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.16 1.27 7.81 92 G 7.99 3.23 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 0.00 93 V 9.08 5.26 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 0.82 0.00 0.00 1.22 0.00 0.00 94 N 9.67 5.29 0.00 2.68 2.84 0.00 0.00 6.62 8.07 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 95 D 8.47 4.95 0.00 2.85 2.51 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 96 W 8.95 4.92 0.00 3.53 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 97 V 8.16 4.65 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 0.82 0.00 0.00 0.81 0.00 0.00 98 R 8.50 3.96 0.00 1.81 1.83 0.00 3.27 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 99 E 8.55 4.01 0.00 1.92 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 2.23 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.