NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 N 4.6772 8.4244 118.2054 52.6369 37.9901 174.4818 16 L 3.9240 8.7053 121.5254 53.5820 42.0207 175.0951 17 N 4.1418 8.6260 125.9631 52.7449 38.7405 174.5802 18 I 3.9717 8.2561 119.1277 61.9131 38.3285 177.0475 19 A 4.2480 7.9453 124.2172 53.8672 19.2823 176.8321 20 Y 4.3864 7.5687 116.2331 59.4344 38.9766 175.9402 21 A 3.4022 8.2347 127.8071 52.5574 16.9968 177.5264 22 K 4.2478 7.6115 116.3704 55.7187 33.0471 175.2866 23 P 4.4872 0.0000 0.0000 63.2906 32.1203 175.6205 24 T 5.0509 8.4346 113.4156 60.1484 72.2369 172.6226 25 T 4.8783 8.3122 111.7700 60.7187 73.0538 172.0310 26 Q 4.2940 7.9677 118.8238 54.8056 31.7112 175.2577 27 S 3.2257 7.4118 114.0215 60.9933 63.4611 174.2010 28 S 4.4303 6.9979 112.9460 57.6817 64.9539 174.2278 29 V 4.7403 8.1189 118.8824 59.9750 33.9168 174.3358 30 D 4.6302 8.6093 120.4230 53.7536 44.3448 174.2846 31 Y 3.7534 8.7181 118.4940 59.0811 35.5254 170.5006 32 N 4.2629 8.5626 112.2370 54.3774 36.8929 176.1630 33 G 4.1194 8.2495 109.1092 44.4452 0.0000 173.8777 34 D 4.7568 7.7398 121.4188 53.7243 42.3711 176.5521 35 P 4.8712 0.0000 0.0000 65.2947 31.3461 178.2756 36 N 4.5884 8.2990 116.2331 55.3845 36.9342 177.0069 37 R 3.9854 7.9397 120.0312 58.9072 30.3884 177.7632 38 A 4.4357 8.0688 118.4045 52.8493 18.4023 178.2349 39 V 4.8234 7.9174 111.2971 61.1384 32.8312 176.5268 40 D 4.7328 8.5645 118.0616 53.3048 39.7620 177.7062 41 G 3.8379 9.0426 108.9222 45.4158 0.0000 172.8552 42 N 4.7533 8.1054 118.3992 51.8335 40.0058 174.3213 43 R 3.8765 8.3209 123.8590 56.0810 30.5939 176.2786 44 N 4.1601 8.2269 117.9451 54.3837 39.2319 174.6281 45 G 3.9658 8.5696 112.3484 44.7450 0.0000 172.4103 46 N 4.8733 7.8834 120.3401 52.9484 39.5493 175.2031 47 F 3.9822 9.2653 128.9611 61.2986 39.7010 176.8757 48 N 4.3765 8.3106 116.9020 55.9930 38.4772 176.3377 49 S 4.0431 7.7180 112.2832 59.5470 63.0686 175.5987 50 G 3.6604 7.9427 108.3828 45.4548 0.0000 173.6577 51 S 4.6483 7.6715 111.9619 57.3426 62.7425 173.5864 52 V 4.7073 7.0549 119.2113 61.8580 33.7197 175.3056 53 T 4.4873 8.6925 118.0950 62.1709 71.0372 173.1380 54 H 5.0780 9.1787 120.9545 55.8208 33.5547 173.3141 55 T 5.0425 8.1628 116.5069 59.7023 70.7585 174.2331 56 R 4.2858 8.6643 121.2207 55.6559 32.2376 176.5748 57 A 4.4722 8.4572 121.5744 51.7266 17.3673 177.1987 58 D 4.7096 8.5616 122.6952 53.2328 43.3934 175.9728 59 N 4.8716 8.5343 115.3650 50.2161 38.3916 170.7392 60 P 4.9732 0.0000 0.0000 60.7254 34.4574 175.9469 61 S 4.5330 8.3108 113.9650 58.5338 64.1209 173.6991 62 W 5.6785 8.1631 118.5531 55.5568 31.7606 173.0301 63 W 5.8024 9.8111 130.3911 56.2254 34.4338 173.3386 64 E 5.0530 8.2403 124.5633 54.7472 33.2611 173.9776 65 V 4.5062 8.0623 125.3983 59.7943 34.5553 174.1382 66 D 4.7519 8.5479 123.2156 52.6066 41.8314 175.9973 67 L 4.0474 8.8041 127.1010 55.8577 41.4891 178.4038 68 K 4.1866 9.7515 118.3599 55.9089 31.1334 175.7185 69 K 4.5823 7.1147 115.6038 55.2130 36.5241 175.1790 70 M 4.4772 8.5184 120.3738 55.9110 32.3282 175.7953 71 D 5.0057 9.3208 122.6726 52.3823 46.4183 174.4409 72 K 4.8132 8.4668 118.7617 55.3954 34.0544 175.9488 73 V 4.4306 8.9072 126.1357 61.8991 33.6350 174.4588 74 G 4.0797 9.6280 115.1831 46.6177 0.0000 176.1574 75 L 4.9783 6.6725 124.0915 54.6114 43.4940 176.0260 76 V 5.0548 9.5145 123.0461 61.1728 34.6192 174.0782 77 K 5.1174 9.6088 127.7903 54.7282 34.8804 175.0861 78 I 4.6853 8.8592 126.3333 59.8072 39.8209 174.0398 79 Y 4.8333 8.9773 125.7890 56.3344 39.7453 175.2423 80 N 4.9129 8.9487 123.6372 52.4972 40.2931 174.6680 81 R 4.3731 8.5454 123.3012 57.0193 30.2963 176.1763 82 T 4.5975 9.2280 112.7161 61.6587 70.7460 175.9762 83 D 4.4057 8.2795 120.7314 55.8083 39.9605 175.7094 84 A 4.3927 7.9075 119.1014 51.5957 21.8648 174.4450 85 E 4.0698 8.8966 115.0978 56.3482 27.1009 177.6274 86 T 3.9959 7.8305 109.2929 64.1154 69.0834 176.1130 87 Q 3.9334 8.0165 119.8631 58.1859 29.0259 178.3642 88 R 3.8892 7.6030 118.3002 59.0043 30.1189 176.8675 89 L 4.1892 7.1371 120.4731 53.2348 40.4268 175.3254 90 S 4.7753 8.4650 115.2247 57.9713 65.9959 175.2394 91 N 4.2101 8.9024 119.5048 54.7888 37.3746 172.4621 92 F 5.5452 7.8895 114.2250 55.3542 42.6839 175.1028 93 D 5.4676 9.2888 119.3206 52.7049 43.9984 175.6007 94 V 5.0060 8.9330 121.9273 61.4062 34.1975 174.3433 95 I 4.9498 9.0691 128.7806 59.4534 40.8452 174.3462 96 L 5.0160 8.4161 126.5506 53.2855 43.8709 175.1757 97 Y 5.2238 8.9062 120.6753 56.3084 42.1311 175.9595 98 D 4.8305 8.7303 122.0299 52.3410 41.7246 176.3593 99 N 4.4901 8.7717 116.3029 56.2493 38.9735 175.5244 100 N 4.8235 8.3718 113.1976 52.6330 39.0039 174.5788 101 R 3.9444 8.1207 115.4648 57.1187 28.3998 176.0869 102 N 4.5655 8.3212 115.9907 52.7832 39.0822 174.4613 103 E 4.1749 8.8557 124.1350 56.4411 30.1311 176.4220 104 V 4.3869 7.9542 118.6552 61.8941 33.8747 175.6632 105 A 4.6064 7.5179 119.2890 51.2394 22.3614 175.0993 106 K 5.1027 8.5577 119.8232 55.3391 35.3992 175.2158 107 K 4.8040 9.4255 125.4610 54.8738 36.5693 174.4492 108 H 5.1653 8.7924 121.9508 54.3223 32.6003 173.0588 109 V 3.8464 7.6716 125.1248 61.2050 33.3463 175.1344 110 N 4.5660 8.9156 126.6738 55.0841 38.7642 174.2526 111 N 5.3183 7.6384 116.2041 51.2452 42.7468 174.7081 112 L 4.3074 8.4466 121.3627 55.0298 42.6771 177.2141 113 S 4.5308 8.7103 117.4404 60.5897 64.5695 175.1404 114 G 4.1569 7.4035 109.0313 45.9481 0.0000 175.0254 115 E 4.5395 8.7612 123.6972 56.9892 30.4900 175.0638 116 S 5.0681 7.6697 112.9668 56.9030 66.3824 173.6258 117 V 4.5515 8.6683 119.6577 59.9869 34.5949 174.5136 118 S 5.2593 8.6791 118.2608 56.8223 65.5552 173.3311 119 L 4.7232 9.2206 124.3787 52.7895 45.3402 175.1973 120 D 5.2109 8.3655 121.6523 52.6907 42.8395 175.2815 121 F 4.4426 9.3013 124.7588 56.6314 39.3310 176.3796 122 K 4.2178 8.9492 119.1206 57.7762 29.7893 174.8171 123 E 3.8870 8.3528 111.2286 57.2119 27.7764 175.2121 124 K 4.1325 7.9350 120.1217 56.3914 33.4380 175.9564 125 G 4.1635 8.7233 114.8806 46.1876 0.0000 172.5095 126 A 4.7568 9.2571 125.9169 51.2045 22.9737 176.3211 127 R 4.3970 9.0220 119.1699 56.2815 32.3394 175.7083 128 Y 5.3789 7.9587 115.2061 56.0649 41.9706 174.8318 129 I 4.9888 8.5634 123.2116 59.4510 40.4932 174.3411 130 K 5.2667 9.4947 128.7825 54.5884 35.3959 174.7010 131 V 5.0160 9.4174 127.4030 61.2905 33.6102 174.1363 132 K 5.0593 9.1898 129.7694 54.4029 34.8007 175.2090 133 L 4.6067 8.7914 128.3764 55.0830 41.7014 177.5313 134 L 4.3778 8.9431 122.6077 55.9257 42.3967 176.9807 135 T 4.4417 7.7782 115.7081 62.1684 69.1287 174.8954 136 S 4.3983 8.5498 122.4380 59.2261 63.8279 174.4453 137 G 3.8405 9.0117 109.7031 46.2848 0.0000 173.4129 138 V 4.4263 7.5571 118.5455 59.7537 33.6515 173.6080 139 P 4.5858 0.0000 0.0000 62.2380 32.4797 175.3057 140 L 4.5666 8.7488 125.7478 53.5732 43.8799 175.1428 141 S 5.4776 8.4615 121.7481 55.6718 65.9883 173.4574 142 L 4.6473 8.8130 124.0719 52.7214 44.3684 177.6219 143 A 3.9874 8.9633 125.9735 54.8442 19.0545 177.4507 144 E 4.7171 7.4108 112.0927 55.5930 33.0240 175.3097 145 V 4.8896 9.1326 125.6340 61.2945 34.1221 174.3657 146 E 4.9357 9.4273 127.6088 54.5487 32.7334 175.2898 147 V 4.8508 8.4827 122.6326 61.1775 34.9595 174.2399 148 F 5.4180 9.3926 125.9432 55.7949 42.2267 176.6973 149 R 5.0113 9.2286 119.2213 57.6397 30.6474 175.7573 150 E 4.5605 7.8436 116.6699 55.4895 32.7996 176.1675 *151 S 4.2554 8.5460 114.1081 58.6516 63.0531 169.4786 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 15 N 8.42 4.68 0.00 2.93 2.78 0.00 0.00 6.02 6.90 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 16 L 8.71 3.92 0.00 1.77 1.72 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.63 4.14 0.00 2.65 2.68 0.00 0.00 6.94 7.82 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 18 I 8.26 3.97 1.86 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 1.39 0.68 0.97 0.00 0.00 19 A 7.95 4.25 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 20 Y 7.57 4.39 0.00 2.91 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 21 A 8.23 3.40 0.67 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 22 K 7.61 4.25 0.00 1.89 1.89 0.00 1.85 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.60 1.63 7.81 23 P 0.00 4.49 0.00 2.04 1.95 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 24 T 8.43 5.05 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 1.28 0.00 0.00 25 T 8.31 4.88 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 1.22 0.00 0.00 26 Q 7.97 4.29 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 27 S 7.41 3.23 0.00 3.52 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 28 S 7.00 4.43 0.00 3.89 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 29 V 8.12 4.74 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 0.74 0.00 0.00 1.12 0.00 0.00 30 D 8.61 4.63 0.00 2.82 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 31 Y 8.72 3.75 0.00 3.01 3.06 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 0.00 0.00 0.00 0.00 32 N 8.56 4.26 0.00 2.96 2.93 0.00 0.00 7.10 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 33 G 8.25 4.12 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 0.00 0.00 0.00 34 D 7.74 4.76 0.00 2.75 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 35 P 0.00 4.87 0.00 2.33 2.58 0.00 3.91 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.88 0.00 36 N 8.30 4.59 0.00 2.99 3.15 0.00 0.00 6.30 7.66 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 37 R 7.94 3.99 0.00 1.93 2.04 0.00 3.18 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 38 A 8.07 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.92 4.82 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 1.10 0.00 0.00 1.06 0.00 0.00 40 D 8.56 4.73 0.00 2.87 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 41 G 9.04 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 0.00 0.00 0.00 42 N 8.11 4.75 0.00 2.65 2.81 0.00 0.00 7.15 7.33 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 43 R 8.32 3.88 0.00 1.63 1.42 0.00 3.15 0.00 0.00 3.01 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.24 0.00 44 N 8.23 4.16 0.00 2.81 2.71 0.00 0.00 7.02 7.44 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 45 G 8.57 3.97 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 0.00 0.00 0.00 46 N 7.88 4.87 0.00 2.78 2.71 0.00 0.00 6.80 7.71 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 47 F 9.27 3.98 0.00 3.18 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 48 N 8.31 4.38 0.00 2.92 2.89 0.00 0.00 6.91 7.57 0.00 0.00 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 S 7.72 4.04 0.00 3.99 4.06 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 0.00 0.00 0.00 0.00 50 G 7.94 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 0.00 0.00 0.00 51 S 7.67 4.65 0.00 3.79 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 52 V 7.05 4.71 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 1.13 0.00 0.00 0.99 0.00 0.00 53 T 8.69 4.49 4.60 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 1.32 0.00 0.00 54 H 9.18 5.08 0.00 3.59 3.60 0.00 5.76 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.16 5.04 4.31 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 0.00 0.00 0.00 1.22 0.00 0.00 56 R 8.66 4.29 0.00 1.92 1.92 0.00 3.07 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 57 A 8.46 4.47 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 58 D 8.56 4.71 0.00 2.77 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 59 N 8.53 4.87 0.00 2.65 2.72 0.00 0.00 7.28 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 60 P 0.00 4.97 0.00 2.44 2.15 0.00 4.01 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 2.12 2.09 0.00 61 S 8.31 4.53 0.00 3.87 3.78 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 0.00 0.00 0.00 0.00 62 W 8.16 5.68 0.00 3.58 3.20 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 0.00 63 W 9.81 5.80 0.00 3.40 3.06 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 0.00 0.00 0.00 0.00 64 E 8.24 5.05 0.00 2.07 1.65 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 0.00 2.17 2.28 0.00 65 V 8.06 4.51 1.84 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 0.77 0.00 0.00 0.99 0.00 0.00 66 D 8.55 4.75 0.00 2.78 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 67 L 8.80 4.05 0.00 1.45 1.63 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 68 K 9.75 4.19 0.00 1.82 2.06 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.41 7.81 69 K 7.11 4.58 0.00 1.72 1.81 0.00 1.48 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.42 7.81 70 M 8.52 4.48 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 71 D 9.32 5.01 0.00 2.45 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 72 K 8.47 4.81 0.00 1.71 1.76 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.39 7.81 73 V 8.91 4.43 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 1.00 0.00 0.00 0.90 0.00 0.00 74 G 9.63 4.08 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 0.00 0.00 0.00 75 L 6.67 4.98 0.00 2.01 1.89 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 76 V 9.51 5.05 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 1.22 0.00 0.00 1.20 0.00 0.00 77 K 9.61 5.12 0.00 2.00 1.64 0.00 1.96 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.46 1.71 7.81 78 I 8.86 4.69 1.95 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.84 0.82 0.00 0.00 79 Y 8.98 4.83 0.00 3.05 2.90 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 80 N 8.95 4.91 0.00 2.69 2.71 0.00 0.00 7.19 7.92 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 81 R 8.55 4.37 0.00 1.89 1.81 0.00 3.28 0.00 0.00 3.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.95 0.00 82 T 9.23 4.60 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 1.32 0.00 0.00 83 D 8.28 4.41 0.00 2.80 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 7.91 4.39 1.17 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 85 E 8.90 4.07 0.00 2.05 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 2.24 2.09 0.00 86 T 7.83 4.00 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 1.29 0.00 0.00 87 Q 8.02 3.93 0.00 2.23 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 88 R 7.60 3.89 0.00 1.72 2.14 0.00 3.07 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 89 L 7.14 4.19 0.00 1.55 1.55 0.07 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.46 4.78 0.00 4.31 3.85 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 91 N 8.90 4.21 0.00 2.98 2.89 0.00 0.00 6.92 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 92 F 7.89 5.55 0.00 3.30 3.08 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 93 D 9.29 5.47 0.00 2.76 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 94 V 8.93 5.01 2.42 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 1.24 0.00 0.00 1.29 0.00 0.00 95 I 9.07 4.95 1.87 0.00 0.00 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 1.23 0.58 0.30 0.00 0.00 96 L 8.42 5.02 0.00 1.32 1.36 -0.26 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 8.91 5.22 0.00 2.97 2.83 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 98 D 8.73 4.83 0.00 2.95 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 99 N 8.77 4.49 0.00 2.69 2.92 0.00 0.00 6.73 7.79 0.00 0.00 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 N 8.37 4.82 0.00 2.76 2.81 0.00 0.00 6.96 7.66 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 0.00 101 R 8.12 3.94 0.00 1.83 1.70 0.00 2.83 0.00 0.00 2.66 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.35 0.00 102 N 8.32 4.57 0.00 3.11 2.77 0.00 0.00 6.69 7.48 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 0.00 103 E 8.86 4.17 0.00 1.89 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 2.16 1.97 0.00 104 V 7.95 4.39 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 0.78 0.00 0.00 0.94 0.00 0.00 105 A 7.52 4.61 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 0.00 106 K 8.56 5.10 0.00 1.82 1.66 0.00 1.93 0.00 0.00 1.85 0.00 0.00 2.74 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.53 7.81 107 K 9.43 4.80 0.00 1.75 1.55 0.00 0.71 0.00 0.00 1.21 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.19 1.22 7.81 108 H 8.79 5.17 0.00 3.13 3.10 0.00 5.87 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 0.00 109 V 7.67 3.85 0.67 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 0.68 0.00 0.00 0.57 0.00 0.00 110 N 8.92 4.57 0.00 2.67 2.77 0.00 0.00 6.89 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 0.00 111 N 7.64 5.32 0.00 2.65 2.67 0.00 0.00 6.93 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 0.00 112 L 8.45 4.31 0.00 1.67 1.78 1.21 0.89 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 0.00 113 S 8.71 4.53 0.00 3.84 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 0.00 114 G 7.40 4.16 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 0.00 0.00 0.00 115 E 8.76 4.54 0.00 1.97 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 2.38 2.32 0.00 116 S 7.67 5.07 0.00 3.17 3.22 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 0.00 117 V 8.67 4.55 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 1.05 0.00 0.00 0.92 0.00 0.00 118 S 8.68 5.26 0.00 3.71 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 0.00 119 L 9.22 4.72 0.00 1.55 1.20 1.06 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.37 5.21 0.00 2.61 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 0.00 0.00 0.00 0.00 121 F 9.30 4.44 0.00 3.33 3.08 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 0.00 122 K 8.95 4.22 0.00 1.93 1.89 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.52 7.81 123 E 8.35 3.89 0.00 2.18 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 2.48 2.27 0.00 124 K 7.93 4.13 0.00 2.12 1.77 0.00 1.53 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.45 7.81 125 G 8.72 4.16 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 0.00 0.00 0.00 126 A 9.26 4.76 1.17 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 0.00 127 R 9.02 4.40 0.00 1.65 1.43 0.00 2.89 0.00 0.00 2.89 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.13 0.00 128 Y 7.96 5.38 0.00 3.03 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.56 4.99 1.99 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 1.00 1.06 1.02 0.00 0.00 130 K 9.49 5.27 0.00 2.03 1.86 0.00 1.26 0.00 0.00 1.62 0.00 0.00 2.72 0.00 0.00 2.25 0.00 0.00 0.00 0.00 1.49 1.63 7.81 131 V 9.42 5.02 2.36 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 0.87 0.00 0.00 1.17 0.00 0.00 132 K 9.19 5.06 0.00 2.01 1.79 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.57 7.81 133 L 8.79 4.61 0.00 1.69 1.68 1.00 1.04 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 0.00 134 L 8.94 4.38 0.00 1.83 1.80 1.04 0.82 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 0.00 135 T 7.78 4.44 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 1.25 0.00 0.00 136 S 8.55 4.40 0.00 3.92 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 0.00 137 G 9.01 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 0.00 0.00 0.00 138 V 7.56 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 0.86 0.00 0.00 0.95 0.00 0.00 139 P 0.00 4.59 0.00 1.86 2.11 0.00 3.73 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 140 L 8.75 4.57 0.00 1.74 1.50 0.78 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 141 S 8.46 5.48 0.00 3.67 3.74 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 0.00 142 L 8.81 4.65 0.00 1.06 1.14 0.21 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.96 3.99 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 0.00 144 E 7.41 4.72 0.00 1.83 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 1.89 2.16 0.00 145 V 9.13 4.89 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 1.04 0.00 0.00 0.21 0.00 0.00 146 E 9.43 4.94 0.00 2.22 1.66 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 2.25 2.37 0.00 147 V 8.48 4.85 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 1.07 0.00 0.00 1.01 0.00 0.00 148 F 9.39 5.42 0.00 3.10 2.94 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 0.00 149 R 9.23 5.01 0.00 1.88 2.05 0.00 3.25 0.00 0.00 3.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.63 0.00 150 E 7.84 4.56 0.00 2.16 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 2.28 2.39 0.00 *151 S 8.55 4.26 0.00 3.62 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 * Residues marked with a * may have inaccurate shift predictions.