NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2995 8.0327 115.4908 61.9246 69.1258 171.8380 3 E 4.7949 8.7114 129.0576 53.5016 31.8528 169.5590 4 V 4.3328 9.5280 128.0698 61.2088 34.7479 173.2856 5 N 5.2633 8.8688 125.7993 52.0334 39.8545 174.2925 6 L 4.7586 9.0687 124.9437 53.0144 44.4779 175.5141 7 N 5.3267 8.8950 121.4631 52.3992 39.5520 174.4182 8 I 4.5134 8.9794 126.1884 59.2621 39.5473 174.7281 9 Y 4.3381 8.7014 129.0421 57.5660 40.1849 173.9635 10 S 4.5728 8.2928 122.5522 55.8425 63.4288 173.0464 11 P 4.1058 0.0000 0.0000 65.0617 31.5184 178.1330 12 R 3.5792 7.2108 117.9744 58.3284 28.9770 177.1260 13 W 4.7857 7.6128 115.1830 55.7281 29.8570 176.9185 14 G 3.9147 8.1734 106.5563 45.9494 0.0000 173.2393 15 R 4.9066 6.9975 111.6808 54.7546 33.5816 173.4533 16 H 4.9825 9.0034 116.9395 55.9086 29.5137 175.0191 17 E 4.8098 9.7354 122.8735 54.9143 32.7803 175.2655 18 T 4.9730 8.4363 119.4810 63.0021 69.6381 173.8026 19 Y 4.5251 9.4606 126.0159 56.8767 39.8221 174.7581 20 I 4.7657 8.8124 126.2582 59.7900 39.4352 174.7661 21 V 4.6457 8.8720 128.2536 61.3768 33.2923 174.1706 22 E 4.6575 9.1703 128.8365 54.8695 30.5937 175.4477 23 L 4.2328 8.2187 125.8498 53.3071 42.6418 176.1428 24 H 5.1358 8.6507 119.7228 53.5011 32.9197 174.4693 25 K 3.9171 9.0227 122.1414 59.6663 32.2645 177.7412 26 D 4.9535 8.2266 117.8534 56.3148 42.2818 175.0489 27 Y 5.0993 7.2005 116.5313 57.2437 41.1162 172.5879 *29 E 4.5594 8.4983 117.1160 56.6470 31.7344 174.9908 30 I 5.0427 8.7115 123.5045 59.9933 40.7077 174.8823 31 S 5.2977 8.2954 123.4054 55.2722 66.6883 173.5226 *33 G 4.0650 8.4435 107.5135 46.2398 0.0000 174.7965 34 A 3.9969 8.5439 125.0333 53.1371 19.3550 177.5014 35 V 4.1743 7.0736 116.8271 61.8512 32.7539 174.7938 36 T 5.2121 8.1960 121.9291 62.0083 71.9941 173.2289 37 I 4.6712 8.9308 120.1446 59.2269 41.0943 174.4406 38 K 4.7196 9.0557 123.1293 54.7267 36.2247 174.4894 39 A 4.5192 7.7371 127.7562 49.8183 21.7206 174.8363 40 T 5.0853 8.3902 112.9349 59.8338 71.2726 173.6182 41 Y 4.8841 9.4196 127.5396 57.8548 40.0102 175.0397 42 S 4.4516 7.1758 116.8443 56.9265 65.8110 174.4041 43 E 3.8980 8.3757 124.4029 59.4933 29.4125 178.8371 44 N 4.9866 7.7555 113.7896 52.6002 39.3541 174.5123 45 Q 4.5654 7.3976 115.4887 54.2740 33.1064 174.4188 46 D 4.6043 8.4185 119.5164 53.7093 41.5140 174.8128 47 P 4.6451 0.0000 0.0000 63.0703 32.3862 175.9777 48 E 4.5149 9.0126 123.2061 55.3891 30.5911 175.5879 49 W 5.1819 8.8749 125.0597 55.0380 30.8313 176.6042 50 S 4.3127 9.0463 118.7067 58.5562 62.6969 174.2547 51 E 4.0631 8.9052 121.4723 59.1611 29.6378 177.3620 52 E 4.1977 8.1234 118.7043 56.2565 30.3344 175.6813 53 T 4.4765 8.7965 115.7928 59.2740 71.4071 175.2315 54 L 3.8614 8.7907 124.3862 58.2798 42.0944 178.3862 55 Q 4.0735 7.9306 116.0368 59.0399 29.1987 177.6425 56 D 4.4921 8.0392 117.7345 57.5635 40.5925 179.6121 57 I 4.1226 7.4180 110.3478 61.5429 37.1100 177.4564 *59 N 4.1947 8.1610 120.1605 53.9751 40.3097 176.1741 60 N 4.1953 7.8673 115.3667 56.3391 38.8884 174.9198 61 D 4.5535 7.7006 116.0841 53.4937 40.9011 176.6873 62 S 3.1526 7.6843 113.3327 58.6134 60.6805 171.7765 63 V 4.0259 6.9864 119.2524 61.3258 32.8241 174.2193 64 Y 4.8527 7.9738 125.0051 55.5115 37.7986 173.2104 65 P 4.3937 0.0000 0.0000 60.4443 33.4415 175.2007 66 P 4.2763 0.0000 0.0000 62.3918 31.6811 177.5120 67 E 3.9121 8.7153 121.8627 59.3037 29.8736 178.4941 68 I 3.9503 7.7779 117.1184 62.7471 38.1516 177.3058 69 T 4.0972 7.9738 117.1168 67.5663 68.3531 175.7771 70 Q 3.8552 8.0119 120.5863 59.2298 29.0296 177.6678 71 N 4.5189 8.2006 117.5260 56.5413 38.9550 176.7196 72 L 4.1403 8.2351 120.6495 57.8562 41.7885 179.2909 73 F 4.0763 8.6405 117.4562 60.6878 38.7947 177.5214 74 Q 4.5761 8.6958 119.1873 59.7321 28.9899 177.7912 75 H 4.2645 8.8154 119.1665 59.1906 29.9148 177.0503 76 A 3.9994 8.4022 122.7109 54.8749 18.1655 179.3981 77 W 4.3504 8.4894 126.7975 60.9052 30.7623 178.2730 78 L 3.3898 8.3081 119.0731 57.5313 40.9587 179.3881 79 E 4.0497 8.1684 118.7030 58.8368 29.4556 178.9652 80 W 4.2663 8.4439 128.6073 60.4444 30.5467 178.0594 81 R 3.3561 8.2006 118.3702 58.2616 29.4742 177.5636 82 K 4.2328 7.1995 114.8236 56.2141 32.9118 177.1820 83 G 3.6298 7.5638 107.1281 46.1081 0.0000 174.8995 84 A 4.1413 7.8443 123.8001 53.3744 18.7362 178.6904 85 L 4.7751 7.5822 115.0302 52.4815 45.0118 176.8386 86 D 4.8028 8.4191 123.1768 52.2527 42.6169 177.0339 87 N 4.5102 8.7516 115.9231 56.9854 38.4859 177.3498 88 D 4.4448 8.2287 119.4306 56.9045 40.8626 178.2854 89 E 4.0185 8.3464 120.3245 59.0550 29.7564 179.0574 90 V 3.6720 8.0847 119.2975 64.8963 31.3029 178.5285 91 T 3.7952 7.7783 115.9463 66.6095 68.3757 176.6974 92 R 4.0670 7.9001 119.8155 59.4724 29.9723 179.1033 93 E 3.9997 8.5514 118.7001 59.2837 29.4312 179.4215 94 L 3.8043 7.9878 119.1699 57.6199 41.5684 179.2263 95 E 4.0032 8.4467 118.8208 59.3949 29.3156 179.4411 96 L 4.0029 7.8240 119.1265 57.5917 41.5311 179.6784 97 V 3.7544 7.5318 118.2753 65.9873 31.4097 177.9915 98 A 4.0296 8.1828 120.6105 55.1255 18.1592 179.3132 99 Q 3.9515 8.4798 118.4295 59.0101 29.0439 178.3069 100 W 4.4212 8.4301 129.3404 60.6671 30.7913 177.9043 101 V 3.3281 8.1451 118.3243 66.2421 30.8726 177.7290 102 N 4.4033 8.5358 116.3294 56.2338 38.3524 177.6215 103 K 4.0285 8.2967 120.1436 59.2555 31.9177 179.4583 104 V 3.5248 7.7493 117.9081 66.3061 31.7694 177.9115 105 T 4.0064 7.9331 115.2799 66.7573 68.1331 176.1283 106 E 3.9050 8.3689 119.9134 58.8763 29.6234 177.7480 107 A 4.4426 7.6102 117.7665 50.7775 19.4686 177.2934 108 K 3.8775 7.1784 117.7872 56.2661 32.7849 175.1687 109 P 4.3995 0.0000 0.0000 63.4076 31.6515 175.9521 110 N 5.0744 8.7271 118.4171 52.3172 37.8820 175.2245 111 S 4.5453 8.2018 114.1214 58.3136 65.4464 174.0943 112 D 4.4088 8.7243 122.2854 57.7479 40.4026 178.9964 113 F 3.9613 8.1814 120.2057 61.3111 39.3825 177.0701 114 W 4.6759 8.1323 117.8569 59.6623 28.7037 178.9588 115 R 4.0044 8.3525 117.9005 59.2443 29.5976 178.9310 116 K 4.0760 8.1135 117.2769 59.0557 31.9938 178.2225 117 Y 4.4266 7.3591 118.7544 59.4162 39.2316 175.0832 118 F 4.3677 8.6065 118.1486 57.1869 38.0227 173.6728 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 2 T 8.03 4.30 4.34 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 0.76 0.00 0.00 3 E 8.71 4.79 0.00 2.03 1.76 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 2.17 2.34 0.00 4 V 9.53 4.33 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 0.98 0.00 0.00 0.80 0.00 0.00 5 N 8.87 5.26 0.00 2.66 2.78 0.00 0.00 7.04 7.85 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 6 L 9.07 4.76 0.00 1.82 1.65 1.11 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.89 5.33 0.00 2.66 2.88 0.00 0.00 6.92 7.45 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 8 I 8.98 4.51 1.86 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 1.05 0.41 0.75 0.00 0.00 9 Y 8.70 4.34 0.00 2.81 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 10 S 8.29 4.57 0.00 3.90 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 11 P 0.00 4.11 0.00 1.95 2.07 0.00 3.77 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 12 R 7.21 3.58 0.00 1.29 0.98 0.00 2.83 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.83 0.00 13 W 7.61 4.79 0.00 3.38 3.07 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 14 G 8.17 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 15 R 7.00 4.91 0.00 1.94 2.10 0.00 2.87 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 16 H 9.00 4.98 0.00 3.14 3.41 0.00 5.85 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 9.74 4.81 0.00 2.04 1.87 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 2.34 2.58 0.00 18 T 8.44 4.97 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 1.25 0.00 0.00 19 Y 9.46 4.53 0.00 2.95 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 20 I 8.81 4.77 1.87 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 1.37 0.70 0.91 0.00 0.00 21 V 8.87 4.65 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 1.09 0.00 0.00 1.22 0.00 0.00 22 E 9.17 4.66 0.00 1.81 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 2.23 2.25 0.00 23 L 8.22 4.23 0.00 0.50 0.15 0.06 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.65 5.14 0.00 2.71 2.94 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 9.02 3.92 0.00 1.72 1.89 0.00 1.36 0.00 0.00 1.49 0.00 0.00 2.68 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.38 7.81 26 D 8.23 4.95 0.00 3.10 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 27 Y 7.20 5.10 0.00 3.01 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 *29 E 8.50 4.56 0.00 2.02 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 2.32 2.63 0.00 30 I 8.71 5.04 1.93 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 1.36 0.92 0.96 0.00 0.00 31 S 8.30 5.30 0.00 3.66 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 *33 G 8.44 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 34 A 8.54 4.00 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 35 V 7.07 4.17 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 1.01 0.00 0.00 0.91 0.00 0.00 36 T 8.20 5.21 4.23 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 1.21 0.00 0.00 37 I 8.93 4.67 2.11 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 1.36 1.01 0.98 0.00 0.00 38 K 9.06 4.72 0.00 1.74 1.54 0.00 1.19 0.00 0.00 1.41 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.14 1.27 7.81 39 A 7.74 4.52 -0.64 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 0.00 0.00 40 T 8.39 5.09 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 1.18 0.00 0.00 41 Y 9.42 4.88 0.00 3.23 3.21 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 42 S 7.18 4.45 0.00 3.90 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 43 E 8.38 3.90 0.00 1.97 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 2.41 2.48 0.00 44 N 7.76 4.99 0.00 2.64 2.77 0.00 0.00 6.67 7.69 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 45 Q 7.40 4.57 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.86 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 46 D 8.42 4.60 0.00 2.73 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 47 P 0.00 4.65 0.00 2.13 2.33 0.00 3.88 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 48 E 9.01 4.51 0.00 1.90 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 2.30 2.44 0.00 49 W 8.87 5.18 0.00 3.20 3.17 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 50 S 9.05 4.31 0.00 3.89 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 51 E 8.91 4.06 0.00 1.96 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 2.31 2.38 0.00 52 E 8.12 4.20 0.00 1.96 1.87 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 2.30 2.36 0.00 53 T 8.80 4.48 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 1.18 0.00 0.00 54 L 8.79 3.86 0.00 1.25 1.54 0.70 0.23 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 55 Q 7.93 4.07 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 56 D 8.04 4.49 0.00 2.98 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 57 I 7.42 4.12 1.87 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 1.54 1.05 0.96 0.00 0.00 *59 N 8.16 4.19 0.00 2.87 3.01 0.00 0.00 7.23 6.92 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 60 N 7.87 4.20 0.00 2.80 3.11 0.00 0.00 7.18 9.18 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 61 D 7.70 4.55 0.00 2.62 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 62 S 7.68 3.15 0.00 3.83 3.88 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 63 V 6.99 4.03 1.87 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 0.87 0.00 0.00 0.87 0.00 0.00 64 Y 7.97 4.85 0.00 3.07 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 P 0.00 4.39 0.00 2.01 1.88 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.95 0.00 66 P 0.00 4.28 0.00 2.14 2.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.57 0.00 67 E 8.72 3.91 0.00 1.89 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 2.28 2.36 0.00 68 I 7.78 3.95 1.97 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 1.75 1.26 1.15 0.00 0.00 69 T 7.97 4.10 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 1.40 0.00 0.00 70 Q 8.01 3.86 0.00 1.82 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.90 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 71 N 8.20 4.52 0.00 2.85 3.07 0.00 0.00 7.21 6.66 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 72 L 8.24 4.14 0.00 2.14 1.81 1.18 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.64 4.08 0.00 3.52 3.36 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 74 Q 8.70 4.58 0.00 2.84 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.73 2.97 0.00 75 H 8.82 4.26 0.00 3.40 3.57 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.40 4.00 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 77 W 8.49 4.35 0.00 3.42 3.66 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 78 L 8.31 3.39 0.00 1.68 1.58 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.17 4.05 0.00 1.97 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 2.25 2.22 0.00 80 W 8.44 4.27 0.00 3.42 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 81 R 8.20 3.36 0.00 1.69 1.68 0.00 2.52 0.00 0.00 2.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.31 0.00 82 K 7.20 4.23 0.00 1.86 1.71 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.29 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.34 7.81 83 G 7.56 3.63 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 0.00 0.00 0.00 84 A 7.84 4.14 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 85 L 7.58 4.78 0.00 1.78 1.65 1.04 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.42 4.80 0.00 2.98 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 87 N 8.75 4.51 0.00 2.85 3.00 0.00 0.00 6.84 8.08 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 88 D 8.23 4.44 0.00 2.71 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 89 E 8.35 4.02 0.00 2.15 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 0.00 2.33 2.39 0.00 90 V 8.08 3.67 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 0.68 0.00 0.00 0.92 0.00 0.00 91 T 7.78 3.80 4.43 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 1.20 0.00 0.00 92 R 7.90 4.07 0.00 1.96 1.98 0.00 3.42 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.82 0.00 93 E 8.55 4.00 0.00 1.94 1.98 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 2.61 2.48 0.00 94 L 7.99 3.80 0.00 1.66 1.49 0.80 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.45 4.00 0.00 2.22 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 2.34 2.43 0.00 96 L 7.82 4.00 0.00 1.92 1.69 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.53 3.75 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 1.28 0.00 0.00 0.94 0.00 0.00 98 A 8.18 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 99 Q 8.48 3.95 0.00 2.30 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 100 W 8.43 4.42 0.00 3.51 3.43 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 0.00 101 V 8.15 3.33 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 0.86 0.00 0.00 0.99 0.00 0.00 102 N 8.54 4.40 0.00 2.99 2.91 0.00 0.00 7.08 8.03 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 0.00 103 K 8.30 4.03 0.00 2.12 1.95 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.70 7.81 104 V 7.75 3.52 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 0.70 0.00 0.00 0.39 0.00 0.00 105 T 7.93 4.01 4.44 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 1.33 0.00 0.00 106 E 8.37 3.90 0.00 1.91 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 2.31 2.29 0.00 107 A 7.61 4.44 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 0.00 108 K 7.18 3.88 0.00 1.67 1.57 0.00 1.27 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.17 0.00 0.00 0.00 0.00 1.51 1.60 7.81 109 P 0.00 4.40 0.00 2.02 1.99 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.94 0.00 110 N 8.73 5.07 0.00 2.82 2.88 0.00 0.00 6.16 7.64 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 0.00 111 S 8.20 4.55 0.00 4.17 4.21 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 0.00 112 D 8.72 4.41 0.00 2.75 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 0.00 113 F 8.18 3.96 0.00 2.87 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 0.00 114 W 8.13 4.68 0.00 3.64 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 0.00 115 R 8.35 4.00 0.00 1.91 2.02 0.00 3.21 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 116 K 8.11 4.08 0.00 1.78 1.84 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.64 7.81 117 Y 7.36 4.43 0.00 2.81 3.39 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 0.00 118 F 8.61 4.37 0.00 2.99 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 * Residues marked with a * may have inaccurate shift predictions.