NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.9643 8.2833 119.1935 53.0495 40.3255 175.2286 2 L 4.2171 8.8500 125.9672 57.5463 41.4150 178.4731 3 L 4.1194 8.7335 120.0789 57.5564 42.0333 178.8483 4 Q 4.1267 8.1741 118.3278 58.5449 28.7029 178.0728 5 F 4.4928 8.3094 121.3162 61.4740 39.4202 176.5452 6 N 4.0803 8.2781 116.0548 56.2273 38.1560 177.0281 7 K 3.9098 7.5122 119.4967 60.0371 32.5644 178.2159 8 M 4.2875 8.2664 118.7347 58.4987 31.7670 178.8757 9 I 3.6235 7.7762 119.8846 64.1125 37.2678 178.3474 10 K 4.7339 8.0388 121.8419 58.8215 31.8405 178.0242 *12 E 4.2044 7.8616 117.0881 56.2133 31.2009 176.2705 13 E 4.0778 8.8929 118.5246 58.4936 29.7304 177.2427 14 T 4.3014 8.1199 106.5500 60.5273 70.1358 175.6014 15 G 3.9014 8.5764 110.1237 45.3762 0.0000 173.6928 16 K 4.3284 7.8396 119.5205 54.8234 33.8598 175.1447 17 N 5.0507 8.6432 118.2215 51.9990 39.9781 175.1245 18 A 4.1596 8.7841 126.3864 55.0389 18.5079 177.2112 19 I 4.5729 7.6513 115.3312 59.3393 38.6862 173.9467 20 P 4.8458 0.0000 0.0000 63.3209 32.3865 177.5539 21 F 4.1528 7.4832 116.8732 60.1308 38.8263 175.6555 22 Y 4.6031 8.5955 114.0724 57.2940 39.5871 175.8002 23 A 4.0599 7.8844 124.6371 53.2761 19.9861 178.0505 24 F 5.0371 7.3388 113.9710 56.8950 39.8892 173.4500 25 Y 4.9852 8.1723 121.8337 56.6750 41.7151 175.8487 26 G 3.4231 7.5805 115.2301 46.9394 0.0000 173.1706 27 C 4.5181 8.9069 114.1997 58.1215 35.8598 174.5392 28 Y 4.2140 8.6297 115.2951 57.8987 39.7933 174.6423 29 C 4.7721 8.2662 118.2637 60.5884 39.6694 170.7954 30 G 4.5268 8.8588 111.9759 44.1260 0.0000 171.8244 31 W 4.6403 9.0766 129.5828 58.7607 31.8082 179.0013 32 G 3.2776 7.5167 111.9336 46.6002 0.0000 170.6577 33 G 3.6234 7.8699 106.2227 43.7979 0.0000 172.5514 34 Q 4.7024 6.6557 120.6799 57.0352 31.6059 174.0924 35 G 4.1904 8.6828 103.0645 45.2816 0.0000 172.1215 36 K 4.7535 8.6027 121.2123 53.4921 34.4813 174.3890 37 P 4.5697 0.0000 0.0000 63.2256 31.8176 176.6785 38 K 3.8692 9.6905 123.8275 59.0413 32.1915 176.3294 39 D 4.5777 7.4264 115.7821 51.0145 42.0612 175.2843 40 G 4.1362 8.9165 106.5278 47.9496 0.0000 175.2533 41 T 4.2628 8.0239 117.8807 66.5371 68.5844 176.0943 42 D 4.6041 8.8403 119.8647 57.3316 41.0735 178.2179 43 R 4.0512 8.2991 119.5240 59.1071 30.0429 177.7368 44 C 4.2194 8.1332 116.4452 60.1415 38.5345 175.2827 45 C 4.3518 8.4285 117.4229 60.0699 37.1317 175.5447 46 F 3.9196 8.1796 122.0846 61.5771 38.7906 177.3333 47 V 3.1532 8.0539 117.8342 66.1340 31.1250 177.4285 48 H 3.8349 8.0649 117.9673 58.9479 29.5909 177.1138 49 D 4.2106 7.7759 120.8980 57.5451 40.4610 178.0655 50 C 4.2066 7.4096 115.7392 59.7801 34.7273 175.0884 51 C 4.2733 8.1107 120.4189 60.0822 42.3159 175.3825 52 Y 4.2454 8.1420 118.5551 60.9855 37.1625 178.6829 53 G 3.6854 8.3271 106.3937 47.7799 0.0000 175.1666 54 R 4.0927 7.6814 118.7494 57.3543 31.5011 176.7860 55 L 4.5696 7.5396 120.3246 53.2060 40.5938 176.6873 56 V 3.5597 7.4840 114.7415 64.3625 32.5308 178.3023 *59 N 5.0603 7.9593 114.5702 52.7400 38.9972 174.2502 *61 C 5.1316 7.6592 114.8940 57.6238 42.2317 172.5042 *67 N 4.9150 8.3977 119.1067 53.2397 38.7794 174.6264 68 T 3.5005 7.7235 110.8628 63.9953 69.3066 176.3954 69 K 4.3099 8.0236 120.7116 58.3485 32.8665 178.6385 70 S 4.4599 7.8956 112.4031 59.2475 63.6122 174.5284 71 D 4.2773 8.0580 119.8656 54.7671 41.0956 175.7395 72 I 3.8886 8.3219 127.8978 60.6254 37.8002 174.7676 73 Y 4.8468 7.5848 122.6619 55.1275 40.8705 174.1243 74 S 5.1285 8.3726 114.1826 57.1237 64.5576 172.0988 75 Y 5.4478 8.4531 122.6182 56.9239 40.4815 172.8257 76 S 4.2383 9.2705 114.4995 57.6122 67.1400 173.6825 77 L 4.8466 8.2460 121.5209 53.4161 40.0601 174.8029 78 K 4.0271 9.0515 122.6189 55.7383 32.1957 176.1695 79 E 3.7398 8.9565 129.7772 58.5365 27.1141 173.7989 80 G 4.1664 8.0625 99.6137 46.6696 0.0000 171.4282 81 Y 4.4368 7.6170 115.8142 55.4044 41.4399 175.0979 82 I 4.3236 8.7332 125.8716 62.1672 37.6392 175.4041 83 T 4.7435 9.5760 118.8323 59.9775 71.4961 172.8045 84 C 4.9596 8.7650 121.9324 56.0298 41.4317 174.1025 85 G 3.9267 8.9400 112.3617 45.6477 0.0000 172.5721 86 K 5.2055 7.9349 119.5220 54.5972 34.4385 176.6865 *88 G 4.1690 7.8817 111.4453 45.4634 0.0000 175.4569 89 T 4.4632 9.3755 116.3515 60.0102 71.4903 174.5747 90 N 4.1802 8.7165 120.3724 57.4526 38.6843 177.8509 91 C 4.2503 8.0656 117.0230 59.9523 41.0406 175.6802 92 E 4.0086 8.1249 120.0967 59.6894 29.0800 179.3966 93 E 3.8852 8.4740 118.8196 59.2562 29.4125 179.6178 94 Q 3.8490 8.2698 118.3041 59.0389 28.9245 178.4799 95 I 3.6147 7.7938 120.9849 64.5722 37.1574 177.5098 96 C 3.0693 7.8475 119.2013 59.3601 44.3581 175.4576 97 E 3.7784 7.6057 119.5560 59.5974 29.1429 178.6358 98 C 4.0749 7.9576 116.3559 60.1114 40.8674 176.0800 99 D 3.4511 7.8465 120.1622 56.9607 40.3194 178.5592 100 R 3.7726 8.0868 119.5293 59.5387 30.0521 178.4708 101 V 3.4558 7.7537 117.5784 65.9769 31.4767 177.8580 102 A 3.5370 7.6569 119.8089 54.9286 17.9057 179.2121 103 A 3.9794 8.0528 119.4731 55.5876 18.3034 179.8312 104 E 4.0538 7.8948 116.4718 59.6498 29.7068 178.4602 105 C 4.0836 8.0959 118.5190 59.8753 43.2719 175.8047 106 F 4.5268 7.7397 118.4769 60.4952 38.7211 177.3452 107 R 4.0530 7.6424 116.9771 59.6610 29.7630 178.7691 108 R 3.9962 8.1286 116.6476 58.6618 30.2487 177.7618 109 N 5.1042 7.6961 115.1330 52.3815 38.9088 176.6289 110 L 4.1289 8.0462 124.0611 57.8794 41.3277 178.9947 111 D 4.4176 8.3099 118.3099 55.9939 39.3458 177.7028 112 T 4.6300 7.6283 106.6270 60.9612 69.2779 173.6908 113 Y 4.0080 7.9742 124.6796 58.1537 39.3324 174.3917 114 N 4.9361 9.3509 126.1068 51.6079 40.5431 174.7243 115 N 4.8835 9.0591 124.3417 56.0894 38.8702 177.3982 116 G 3.6006 8.9230 106.6380 47.5997 0.0000 173.9339 117 Y 4.3227 7.9417 117.3504 58.5249 38.4554 175.3248 118 M 4.5522 7.6049 120.6690 56.5471 32.8162 175.6785 119 F 3.6883 9.1189 125.3962 58.6888 36.9797 175.0069 120 Y 4.3055 8.1495 121.3140 56.6276 39.4332 174.9367 121 R 3.9799 8.1856 126.7789 56.2887 30.8092 177.2982 122 D 4.3358 8.7606 122.1987 56.7792 41.5637 177.8076 *124 S 4.4052 7.9362 111.9283 58.2617 64.6654 174.4977 125 K 4.3339 7.8317 117.8454 56.6351 32.1562 176.3465 126 C 4.9923 7.9072 117.9399 56.8721 40.3611 174.8105 127 T 4.5136 7.5933 117.9024 62.7496 67.7099 174.2771 128 E 4.6799 7.9711 122.2038 55.2938 31.7046 175.5283 129 T 3.9916 8.6045 116.9148 63.9930 68.6004 174.4890 130 S 4.9540 8.6105 122.6604 58.3390 63.3572 174.5671 131 E 4.1899 8.8313 123.1032 56.7168 30.2198 175.7495 132 E 4.7879 8.4691 120.0757 54.8246 31.8394 177.2488 133 C 4.4342 8.7250 119.1652 57.3913 41.3891 173.6697 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 N 8.28 4.96 0.00 2.82 2.55 0.00 0.00 7.07 5.78 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 2 L 8.85 4.22 0.00 1.82 1.85 1.08 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.73 4.12 0.00 1.66 1.73 0.94 0.90 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 4 Q 8.17 4.13 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.23 0.00 5 F 8.31 4.49 0.00 3.32 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 6 N 8.28 4.08 0.00 3.14 2.85 0.00 0.00 6.68 7.22 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 7 K 7.51 3.91 0.00 1.81 2.19 0.00 1.94 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.64 1.58 7.81 8 M 8.27 4.29 0.00 2.19 2.43 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 9 I 7.78 3.62 1.86 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.50 0.65 0.00 0.00 10 K 8.04 4.73 0.00 1.94 1.92 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.47 7.81 *12 E 7.86 4.20 0.00 2.15 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 0.00 2.25 2.39 0.00 13 E 8.89 4.08 0.00 2.07 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 2.39 2.26 0.00 14 T 8.12 4.30 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 1.14 0.00 0.00 15 G 8.58 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 0.00 0.00 0.00 16 K 7.84 4.33 0.00 1.76 1.59 0.00 1.19 0.00 0.00 1.16 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.86 7.81 17 N 8.64 5.05 0.00 2.95 2.92 0.00 0.00 6.86 7.35 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 18 A 8.78 4.16 1.22 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 19 I 7.65 4.57 1.92 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 1.46 0.60 1.05 0.00 0.00 20 P 0.00 4.85 0.00 2.33 2.50 0.00 3.11 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.84 0.00 21 F 7.48 4.15 0.00 3.18 2.62 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 22 Y 8.60 4.60 0.00 2.73 2.54 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 23 A 7.88 4.06 0.38 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 24 F 7.34 5.04 0.00 2.36 2.74 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 0.00 0.00 0.00 25 Y 8.17 4.99 0.00 2.92 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.58 3.42 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 0.00 27 C 8.91 4.52 0.00 3.14 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 28 Y 8.63 4.21 0.00 3.20 3.12 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 0.00 0.00 0.00 29 C 8.27 4.77 0.00 3.48 3.42 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 30 G 8.86 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 9.08 4.64 0.00 3.38 3.14 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 32 G 7.52 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 0.00 0.00 0.00 33 G 7.87 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 0.00 0.00 0.00 34 Q 6.66 4.70 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.37 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 35 G 8.68 4.19 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 0.00 0.00 0.00 36 K 8.60 4.75 0.00 1.68 1.62 0.00 1.68 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.49 7.81 37 P 0.00 4.57 0.00 1.88 2.08 0.00 3.30 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.41 0.00 38 K 9.69 3.87 0.00 1.05 0.74 0.00 1.46 0.00 0.00 1.36 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.32 0.93 7.81 39 D 7.43 4.58 0.00 2.80 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 40 G 8.92 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 41 T 8.02 4.26 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 1.28 0.00 0.00 42 D 8.84 4.60 0.00 2.94 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 43 R 8.30 4.05 0.00 1.92 2.13 0.00 3.16 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 44 C 8.13 4.22 0.00 3.28 2.77 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 45 C 8.43 4.35 0.00 3.43 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.18 3.92 0.00 2.51 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 47 V 8.05 3.15 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 0.89 0.00 0.00 1.02 0.00 0.00 48 H 8.06 3.83 0.00 3.15 3.29 0.00 5.64 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 49 D 7.78 4.21 0.00 2.82 2.61 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 50 C 7.41 4.21 0.00 2.77 2.91 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 51 C 8.11 4.27 0.00 2.91 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 52 Y 8.14 4.25 0.00 3.11 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 53 G 8.33 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 54 R 7.68 4.09 0.00 1.95 1.93 0.00 3.24 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 55 L 7.54 4.57 0.00 1.65 1.52 0.88 0.88 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 56 V 7.48 3.56 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 1.05 0.00 0.00 0.93 0.00 0.00 *59 N 7.96 5.06 0.00 2.88 3.07 0.00 0.00 6.71 7.68 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 *61 C 7.66 5.13 0.00 2.93 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 *67 N 8.40 4.91 0.00 2.73 2.75 0.00 0.00 7.41 7.22 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 68 T 7.72 3.50 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 0.83 0.00 0.00 69 K 8.02 4.31 0.00 1.90 1.97 0.00 1.83 0.00 0.00 2.19 0.00 0.00 3.22 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.73 1.58 7.81 70 S 7.90 4.46 0.00 3.85 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 71 D 8.06 4.28 0.00 2.74 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 72 I 8.32 3.89 1.85 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 1.40 0.78 0.85 0.00 0.00 73 Y 7.58 4.85 0.00 3.00 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 74 S 8.37 5.13 0.00 4.00 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 75 Y 8.45 5.45 0.00 3.26 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 76 S 9.27 4.24 0.00 3.78 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 77 L 8.25 4.85 0.00 1.56 1.71 1.05 0.94 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 78 K 9.05 4.03 0.00 1.85 1.77 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.38 7.81 79 E 8.96 3.74 0.00 2.14 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 2.19 2.21 0.00 80 G 8.06 4.17 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 0.00 0.00 0.00 81 Y 7.62 4.44 0.00 3.37 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 82 I 8.73 4.32 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.53 1.00 0.00 0.00 83 T 9.58 4.74 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 1.28 0.00 0.00 84 C 8.76 4.96 0.00 2.85 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 85 G 8.94 3.93 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 0.00 0.00 0.00 86 K 7.93 5.21 0.00 1.77 1.68 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.80 1.33 7.81 *88 G 7.88 4.17 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 0.00 0.00 0.00 89 T 9.38 4.46 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 1.30 0.00 0.00 90 N 8.72 4.18 0.00 2.76 2.86 0.00 0.00 6.97 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 91 C 8.07 4.25 0.00 3.00 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 92 E 8.12 4.01 0.00 2.30 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 0.00 2.60 2.57 0.00 93 E 8.47 3.89 0.00 2.09 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 2.31 2.40 0.00 94 Q 8.27 3.85 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.69 2.49 0.00 95 I 7.79 3.61 1.90 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.78 1.04 0.00 0.00 96 C 7.85 3.07 0.00 2.11 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 97 E 7.61 3.78 0.00 2.10 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 2.36 2.43 0.00 98 C 7.96 4.07 0.00 3.15 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.85 3.45 0.00 2.58 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.09 3.77 0.00 1.83 1.95 0.00 3.30 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 101 V 7.75 3.46 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 0.84 0.00 0.00 0.88 0.00 0.00 102 A 7.66 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.05 3.98 1.44 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 0.00 104 E 7.89 4.05 0.00 2.06 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 2.50 2.38 0.00 105 C 8.10 4.08 0.00 2.97 2.98 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 0.00 106 F 7.74 4.53 0.00 3.10 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 0.00 107 R 7.64 4.05 0.00 1.92 1.99 0.00 3.07 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.91 0.00 108 R 8.13 4.00 0.00 1.98 2.01 0.00 3.19 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 109 N 7.70 5.10 0.00 2.99 2.93 0.00 0.00 6.93 6.24 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 0.00 110 L 8.05 4.13 0.00 1.87 1.74 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.31 4.42 0.00 2.86 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 0.00 112 T 7.63 4.63 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 1.27 0.00 0.00 113 Y 7.97 4.01 0.00 3.07 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 0.00 114 N 9.35 4.94 0.00 2.87 2.93 0.00 0.00 6.83 7.37 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 0.00 115 N 9.06 4.88 0.00 2.96 3.01 0.00 0.00 6.97 7.62 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 0.00 116 G 8.92 3.60 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 0.00 0.00 0.00 117 Y 7.94 4.32 0.00 2.02 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 0.00 0.00 0.00 118 M 7.60 4.55 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 119 F 9.12 3.69 0.00 3.19 3.12 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 0.00 0.00 0.00 120 Y 8.15 4.31 0.00 3.02 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 0.00 121 R 8.19 3.98 0.00 1.64 1.75 0.00 3.35 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.48 0.00 122 D 8.76 4.34 0.00 2.70 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 *124 S 7.94 4.41 0.00 4.01 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 0.00 125 K 7.83 4.33 0.00 1.40 1.76 0.00 1.02 0.00 0.00 0.61 0.00 0.00 2.71 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.21 1.18 7.81 126 C 7.91 4.99 0.00 3.17 3.24 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 0.00 127 T 7.59 4.51 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 0.00 128 E 7.97 4.68 0.00 2.09 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 2.20 2.28 0.00 129 T 8.60 3.99 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 0.00 130 S 8.61 4.95 0.00 3.84 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 0.00 131 E 8.83 4.19 0.00 1.29 1.44 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 2.16 2.10 0.00 132 E 8.47 4.79 0.00 1.87 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 2.28 0.00 133 C 8.72 4.43 0.00 2.92 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 * Residues marked with a * may have inaccurate shift predictions.