NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.4044 8.1701 111.0710 61.2608 69.4500 173.1527 5 A 4.3241 8.4380 129.4340 50.5926 19.5306 174.8288 6 T 4.5914 8.5973 109.4792 59.8162 72.4962 171.3737 7 V 4.5501 8.3921 124.6292 61.9298 32.8577 175.0296 8 R 4.8898 9.1896 126.4237 54.5173 33.5112 174.8282 9 R 5.1186 8.8597 121.2049 54.7810 32.2702 175.9205 10 A 4.7130 9.0287 124.2415 50.4409 22.8259 174.5453 11 E 5.0279 8.9741 122.0931 54.6367 32.2526 174.8601 12 L 5.2254 9.1651 125.1904 53.0739 44.7510 175.3666 13 Q 4.7311 9.4013 127.0146 54.8589 30.2657 173.9077 14 I 4.9055 8.5506 128.3891 60.0161 39.7717 175.4256 15 S 4.8372 9.4105 123.0160 56.7688 64.9489 172.7959 16 D 5.2112 8.4906 124.9162 51.9228 43.4513 176.1439 *18 D 4.6159 8.5565 120.0733 53.9837 42.4473 177.1947 19 R 4.2254 8.3947 115.4433 55.4278 31.0998 176.3871 20 G 3.8023 8.0474 105.0662 46.9434 0.0000 172.7541 21 Y 4.3950 7.4709 121.4424 55.5703 40.9792 173.9796 22 Y 5.1725 8.0988 123.8144 55.3470 40.8914 174.7524 23 A 4.4840 8.2396 124.2201 51.0267 23.0439 173.6777 24 N 5.5393 8.6200 117.6572 52.2103 41.3978 173.5038 25 H 4.8673 9.2454 122.5627 54.0968 32.3949 172.4754 26 S 5.0204 8.8820 119.0244 57.2330 62.7919 172.9308 27 L 4.9323 9.3386 127.8793 53.2133 45.1307 175.8392 28 T 5.1049 8.4206 116.5463 61.8734 72.1120 173.4016 29 L 4.4672 8.9879 125.6187 52.6550 45.2735 175.4124 30 A 4.5063 8.4913 126.3005 51.0528 19.8736 176.4016 31 Q 4.3661 9.1757 125.9243 55.1709 30.0733 174.9999 32 H 4.3939 8.7017 127.4318 55.5195 30.5343 174.4328 33 P 4.1897 0.0000 0.0000 65.5648 31.2199 177.4600 34 S 4.4490 8.1724 111.2979 58.5622 63.2482 173.1281 35 E 4.4254 7.9846 123.1667 54.7060 30.2403 176.4935 36 T 4.2102 8.2328 116.8480 61.2536 70.9364 174.9553 37 D 4.3116 8.5584 121.8224 57.5842 40.9097 178.3675 38 E 4.0248 8.1410 117.8546 59.5103 29.8532 178.4155 39 R 3.8587 8.0708 118.4572 59.0773 30.0029 178.6883 40 L 4.1581 7.8271 117.1086 55.9394 41.9984 178.5379 *42 V 3.7901 7.7567 118.8772 62.4127 33.3527 177.7108 43 R 3.9991 8.0299 118.9035 59.0118 29.8265 178.7165 44 L 4.0877 8.0798 120.3188 58.1991 42.0438 178.6227 45 L 3.8572 7.9175 119.4970 58.1833 41.6991 178.6266 46 A 4.0834 8.2198 119.9794 55.0997 18.6693 178.8685 47 F 3.8979 8.5935 119.0557 61.5747 39.2082 177.2879 48 A 4.1178 7.8809 118.8106 55.1819 18.2255 179.3631 49 L 3.8609 8.0856 116.9055 56.6964 41.5527 178.1071 50 F 4.4708 7.1324 114.4501 56.5547 39.8842 175.0143 51 A 3.3652 7.3862 123.8372 52.1905 18.4429 177.1887 52 D 4.7597 7.7016 119.9457 52.3734 44.3799 175.7837 53 D 4.6499 8.9315 123.0275 55.7435 39.3339 177.2828 54 R 4.4481 7.9483 116.1511 55.4017 31.5062 175.8284 55 L 4.1325 7.2826 120.1536 55.3201 42.5038 176.0631 56 E 4.9000 9.3533 124.8272 54.2592 34.0627 175.0538 57 F 4.8019 8.7774 121.4728 57.8276 39.6944 175.6322 58 G 3.6944 8.4428 111.0537 43.7827 0.0000 174.4738 59 R 4.4847 8.3877 119.6233 55.0464 28.8331 178.3551 60 G 3.7791 7.5004 104.2963 46.3061 0.0000 173.2862 61 L 4.3802 7.4084 118.5094 54.8194 43.4331 177.7218 62 S 4.4835 7.5224 116.9805 56.8294 61.1754 174.2262 63 N 4.7907 8.3159 117.5244 53.2375 36.9294 176.7187 64 D 4.2449 7.1423 118.7444 55.3176 39.6638 176.4684 65 D 4.7194 7.8725 123.0950 53.5095 42.7042 176.4278 66 E 3.6891 7.5511 118.0228 53.4198 31.9080 173.9093 67 P 4.4185 0.0000 0.0000 60.9165 32.8732 176.6361 68 D 4.3033 8.2366 117.0231 56.8873 41.7275 176.8182 69 L 5.3122 7.8372 116.6477 53.0344 46.6430 175.7295 70 W 5.4147 9.3456 116.8540 55.6197 31.9758 173.0172 71 R 4.7525 8.7473 122.3323 54.6533 31.8521 174.6617 72 R 4.9939 8.0779 124.8336 53.9951 33.1296 175.6563 73 D 4.3445 8.6494 122.8619 52.9641 40.3036 176.4557 74 Y 4.3405 8.2558 115.0326 59.5417 37.6431 176.6399 75 T 4.4539 8.4205 109.1803 60.9578 69.5389 174.4809 76 G 3.9642 8.2476 111.1433 45.8944 0.0000 174.4281 77 D 4.4638 8.0208 119.9032 53.2460 41.7169 173.6736 78 P 4.6278 0.0000 0.0000 63.4294 31.9633 176.8405 79 D 4.5348 9.3867 125.3648 56.2995 42.5714 176.5680 80 L 5.1411 7.7484 119.5699 53.1630 46.0100 174.7601 81 W 5.0894 9.1221 135.0000 55.7894 33.9487 173.6052 82 I 4.9108 8.6614 128.8994 59.6070 39.2869 174.3601 83 D 5.3654 9.1864 127.3287 52.4798 43.6259 175.5889 84 L 4.5546 9.3130 123.5492 54.2112 43.1789 177.7142 85 G 3.7744 9.5222 107.3891 45.3204 0.0000 175.7505 86 Q 3.6925 7.7583 114.7961 52.7619 28.7369 173.3332 87 P 4.3133 0.0000 0.0000 62.3684 32.4198 177.4351 88 D 4.7229 8.4377 120.5463 53.0652 41.5193 177.0128 89 E 3.9737 8.8123 118.9979 60.0672 29.3380 179.9905 90 S 4.1881 8.1004 114.4572 61.3441 63.0213 176.5119 91 R 3.9065 8.5605 121.7932 59.1685 29.8777 178.7882 92 V 3.4641 8.0860 118.4042 65.8412 31.5903 177.8711 93 R 3.8119 8.1647 120.1546 58.6265 29.9100 178.1433 94 K 3.6560 7.9893 119.0161 59.5542 32.0102 178.4919 95 A 2.6587 7.5084 120.7209 54.9960 17.9539 179.4651 96 C 3.9343 7.3238 114.0066 62.6816 28.1699 175.4720 97 N 4.4264 7.7683 117.8226 55.8100 38.6417 176.4332 98 R 4.2475 7.4883 117.7326 55.8941 30.9347 176.1597 99 S 4.9157 6.9359 111.7757 55.9333 65.8532 173.4794 100 R 4.1217 8.4843 125.8457 58.9608 30.5196 176.4780 101 E 4.9593 8.4968 118.9137 54.2004 33.1687 174.1160 102 A 5.2690 8.9398 127.9445 50.1572 22.3407 175.2843 103 V 4.8629 8.9754 120.6270 61.0526 35.1314 174.2865 104 V 4.7914 8.8421 127.5541 61.2683 34.1153 174.2835 105 I 4.7657 8.7835 129.0391 59.7186 38.9492 175.0660 106 G 4.2604 8.9887 115.4245 45.0731 0.0000 172.8157 107 Y 5.3898 7.2582 116.5375 57.6314 38.1779 175.3299 108 G 3.7904 8.4445 107.8176 45.6659 0.0000 175.8384 109 G 4.0092 7.7135 108.6744 45.9635 0.0000 176.6249 110 Q 4.0298 8.9406 120.1728 58.9751 28.3654 178.2119 111 A 4.1516 7.9240 122.4180 55.0101 18.3612 179.7266 112 T 3.9917 7.8830 113.7587 66.5929 68.4741 176.7411 113 E 4.1365 8.2841 121.1339 59.4781 29.4048 178.7636 114 T 3.8951 8.4523 110.3110 64.5691 68.8079 175.8934 115 W 4.3034 8.6396 131.9589 59.9218 30.6085 177.4939 116 W 3.7614 8.7676 128.0102 60.5829 29.9916 178.0814 117 K 3.7553 8.1084 116.9296 59.0355 31.4853 178.9714 118 K 3.8667 7.9541 119.5158 59.1872 32.2928 177.7231 119 H 4.4691 7.2805 113.2615 55.0747 28.9740 176.2838 120 A 2.5800 7.0139 124.0872 54.7016 18.1197 178.9111 121 N 4.2413 7.6839 113.2177 56.5806 39.1716 176.7305 122 A 3.9852 7.2256 121.1633 52.4767 17.6018 179.1610 *124 G 3.9020 8.1380 109.9541 46.7902 0.0000 175.8640 125 R 3.7620 7.8879 115.5211 57.8467 29.5969 176.1339 126 Y 4.8260 7.2504 117.9342 56.4252 39.2848 176.2303 127 R 4.6570 8.6447 118.7532 56.1836 30.9017 176.4576 128 N 5.0428 8.1314 116.0430 52.5268 38.8766 172.8689 129 L 5.0085 8.0664 120.7727 54.0271 44.0596 175.2314 130 R 4.8917 9.1821 126.6821 54.5361 32.8209 174.3245 131 V 5.0412 8.8701 126.7278 61.0805 34.2300 174.2156 132 I 4.9487 8.9176 120.9240 58.9912 41.1127 173.8253 133 E 5.1110 8.6950 123.6704 54.5275 32.2119 174.6323 134 L 4.8138 8.8867 126.7111 52.5182 44.8979 175.6759 135 D 4.4972 8.6779 122.5835 54.4291 41.8684 177.4559 136 S 4.5511 8.6845 123.1396 61.1275 63.1033 176.5870 137 Q 4.0323 8.4365 121.6793 58.5417 28.3163 178.3955 138 A 4.0178 8.1699 121.8080 55.2937 18.4496 179.5667 139 T 3.7487 7.8831 108.3386 64.9817 68.5081 176.3383 140 E 3.9348 8.0765 121.1052 58.8888 29.8262 178.2992 141 A 4.1356 8.1179 120.9991 54.9957 18.4243 179.4076 142 L 4.0189 8.2701 119.4451 58.1681 42.0498 179.3667 143 G 3.6781 8.5512 105.8725 47.5353 0.0000 174.9901 144 A 4.2472 7.5697 121.2275 53.6421 18.5968 178.4012 145 L 4.4916 7.5708 116.1644 53.5970 42.4416 176.7283 146 I 3.8695 6.9763 120.4872 61.4776 38.4009 174.8211 147 Q 4.6500 8.1664 124.2204 54.3110 33.1865 175.2232 148 R 4.0689 8.6690 117.9332 58.3589 30.3819 177.3616 149 G 4.2427 7.5832 104.2086 43.3740 0.0000 172.2676 *151 R 4.2563 8.3221 119.0469 55.8088 31.2312 175.0950 152 F 5.1004 9.1915 121.7306 55.6534 42.6950 174.0242 153 D 5.1747 9.2330 124.0140 53.7302 41.9210 176.0760 154 V 4.5331 8.8671 123.9911 61.4393 33.7655 174.2740 155 I 4.8951 8.7377 130.3486 59.8168 39.2806 174.8816 156 I 5.0681 8.7613 129.0967 59.4036 40.1376 175.0935 157 Q 4.3164 9.2206 123.7219 55.8844 32.2173 174.3451 158 D 4.3397 10.1047 123.9736 55.3653 38.5242 174.7910 159 G 3.8671 9.0549 105.5875 45.5337 0.0000 173.6942 160 E 4.6907 7.9117 121.3242 54.1569 31.3501 174.6452 161 V 4.8806 8.8012 125.1190 60.2233 34.3836 174.5109 162 Q 5.2102 8.6601 126.6546 53.2685 32.8124 172.7236 *164 L 4.4673 8.3173 118.8166 55.3041 43.4009 176.8037 165 A 4.9055 8.4993 127.8661 49.7510 22.0976 176.3340 166 D 4.3237 8.5914 119.0337 57.0783 40.8868 177.5793 167 H 4.7475 8.8756 112.0201 53.9383 29.1360 174.3906 168 G 4.2418 6.2437 111.8085 45.6101 0.0000 171.4945 169 S 4.9478 7.7628 112.9415 56.5659 65.3528 173.2777 170 V 4.4754 8.2038 123.5781 61.4066 34.3251 173.8791 171 T 5.1782 8.4937 123.0345 61.7307 71.3064 173.1529 172 L 4.7149 9.0617 125.0640 54.7374 44.7065 175.1559 173 T 4.8273 8.2668 116.5432 61.1381 69.8339 174.1052 174 P 4.4714 0.0000 0.0000 61.6314 30.9908 177.7722 *176 V 3.8697 8.1771 124.2064 63.7645 31.3701 175.9405 177 R 3.5556 8.3830 127.8608 58.6515 30.2137 177.2781 178 Q 4.7849 7.4393 116.4434 54.9325 32.4235 173.0746 179 A 5.0696 8.4465 125.9320 49.2793 22.5029 174.0183 180 P 4.6640 0.0000 0.0000 61.7179 32.2453 176.4605 181 A 4.0510 8.6377 126.1356 52.4417 18.9421 177.5267 182 E 4.1941 8.7273 119.5375 56.5231 29.9812 176.5092 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 4 T 8.17 4.40 4.22 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 1.19 0.00 0.00 5 A 8.44 4.32 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 6 T 8.60 4.59 4.22 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 1.19 0.00 0.00 7 V 8.39 4.55 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 0.83 0.00 0.00 0.91 0.00 0.00 8 R 9.19 4.89 0.00 1.65 1.75 0.00 3.12 0.00 0.00 3.36 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 9 R 8.86 5.12 0.00 1.64 1.84 0.00 3.10 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 1.58 1.55 0.00 10 A 9.03 4.71 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 11 E 8.97 5.03 0.00 1.92 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 2.32 2.26 0.00 12 L 9.17 5.23 0.00 1.68 1.69 1.01 0.75 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 13 Q 9.40 4.73 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 14 I 8.55 4.91 2.11 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.53 1.04 0.00 0.00 15 S 9.41 4.84 0.00 3.80 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 16 D 8.49 5.21 0.00 2.63 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 *18 D 8.56 4.62 0.00 2.73 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 19 R 8.39 4.23 0.00 1.75 1.96 0.00 2.97 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.00 20 G 8.05 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 0.00 0.00 0.00 21 Y 7.47 4.39 0.00 2.99 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 22 Y 8.10 5.17 0.00 2.80 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 23 A 8.24 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.62 5.54 0.00 2.82 2.69 0.00 0.00 6.78 7.89 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 25 H 9.25 4.87 0.00 3.16 3.15 0.00 5.65 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.88 5.02 0.00 3.93 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 27 L 9.34 4.93 0.00 1.64 1.54 0.25 -0.06 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 28 T 8.42 5.10 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 29 L 8.99 4.47 0.00 1.33 1.16 0.79 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.49 4.51 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 9.18 4.37 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 32 H 8.70 4.39 0.00 3.19 3.12 0.00 5.85 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.19 0.00 1.97 2.05 0.00 3.07 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.12 0.00 34 S 8.17 4.45 0.00 3.96 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 35 E 7.98 4.43 0.00 1.92 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 2.22 2.20 0.00 36 T 8.23 4.21 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 1.23 0.00 0.00 37 D 8.56 4.31 0.00 2.67 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 38 E 8.14 4.02 0.00 1.98 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 2.56 0.00 39 R 8.07 3.86 0.00 2.00 2.01 0.00 3.22 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 40 L 7.83 4.16 0.00 1.71 1.65 0.82 0.82 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 *42 V 7.76 3.79 1.68 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 0.54 0.00 0.00 0.24 0.00 0.00 43 R 8.03 4.00 0.00 2.00 2.04 0.00 3.19 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 44 L 8.08 4.09 0.00 1.69 1.57 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.92 3.86 0.00 1.67 1.73 0.84 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.22 4.08 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 3.90 0.00 3.12 3.25 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 0.00 48 A 7.88 4.12 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 49 L 8.09 3.86 0.00 1.47 1.07 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 50 F 7.13 4.47 0.00 2.94 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 51 A 7.39 3.37 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 52 D 7.70 4.76 0.00 2.43 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 61 L 7.41 4.38 0.00 1.49 1.38 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 62 S 7.52 4.48 0.00 3.85 3.79 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 0.00 0.00 0.00 0.00 63 N 8.32 4.79 0.00 2.77 2.89 0.00 0.00 6.41 8.06 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 64 D 7.14 4.24 0.00 2.87 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 65 D 7.87 4.72 0.00 2.69 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 66 E 7.55 3.69 0.00 1.60 1.12 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 1.89 2.10 0.00 67 P 0.00 4.42 0.00 1.56 0.49 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.46 0.00 68 D 8.24 4.30 0.00 2.65 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 69 L 7.84 5.31 0.00 1.48 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0.00 0.00 0.00 2.48 2.41 0.00 111 A 7.92 4.15 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 0.00 112 T 7.88 3.99 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 113 E 8.28 4.14 0.00 2.12 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 2.48 2.50 0.00 114 T 8.45 3.90 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 115 W 8.64 4.30 0.00 3.50 3.61 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 0.00 116 W 8.77 3.76 0.00 3.69 3.34 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 0.00 117 K 8.11 3.76 0.00 1.75 1.82 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.77 7.81 118 K 7.95 3.87 0.00 1.63 1.58 0.00 1.67 0.00 0.00 1.48 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.05 1.29 7.81 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0.00 0.00 5.76 6.67 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 0.00 129 L 8.07 5.01 0.00 1.62 1.69 0.99 1.01 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 0.00 130 R 9.18 4.89 0.00 1.91 1.77 0.00 3.32 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 131 V 8.87 5.04 2.16 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 1.30 0.00 0.00 1.29 0.00 0.00 132 I 8.92 4.95 1.90 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 1.22 0.65 0.98 0.00 0.00 133 E 8.69 5.11 0.00 1.98 1.80 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 2.19 2.34 0.00 134 L 8.89 4.81 0.00 1.67 1.55 0.88 0.69 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 0.00 135 D 8.68 4.50 0.00 2.68 2.57 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 0.00 0.00 0.00 0.00 136 S 8.68 4.55 0.00 4.13 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 0.00 137 Q 8.44 4.03 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 138 A 8.17 4.02 1.35 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 0.00 139 T 7.88 3.75 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 1.25 0.00 0.00 140 E 8.08 3.93 0.00 2.15 2.18 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 0.00 2.34 2.35 0.00 141 A 8.12 4.14 1.42 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 0.00 142 L 8.27 4.02 0.00 1.85 1.80 0.75 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.55 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 0.00 0.00 0.00 144 A 7.57 4.25 1.36 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 0.00 0.00 145 L 7.57 4.49 0.00 1.97 1.94 1.04 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 146 I 6.98 3.87 2.01 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 1.31 0.76 0.98 0.00 0.00 147 Q 8.17 4.65 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.16 2.51 0.00 148 R 8.67 4.07 0.00 1.82 1.96 0.00 3.21 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.00 149 G 7.58 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 0.00 0.00 0.00 0.00 *151 R 8.32 4.26 0.00 1.74 1.88 0.00 3.12 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 152 F 9.19 5.10 0.00 2.92 2.92 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 0.00 153 D 9.23 5.17 0.00 2.60 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 0.00 154 V 8.87 4.53 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 1.05 0.00 0.00 1.00 0.00 0.00 155 I 8.74 4.90 1.91 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 1.28 0.71 1.02 0.00 0.00 156 I 8.76 5.07 1.93 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 1.23 1.25 0.93 0.00 0.00 157 Q 9.22 4.32 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.27 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 158 D 10.10 4.34 0.00 2.82 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 0.00 159 G 9.05 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 0.00 160 E 7.91 4.69 0.00 2.01 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 2.22 2.21 0.00 161 V 8.80 4.88 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 0.75 0.00 0.00 0.89 0.00 0.00 162 Q 8.66 5.21 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.13 0.00 *164 L 8.32 4.47 0.00 1.90 1.77 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.50 4.91 0.61 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 0.00 0.00 166 D 8.59 4.32 0.00 2.65 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 0.00 167 H 8.88 4.75 0.00 3.23 3.32 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 G 6.24 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 0.00 0.00 0.00 0.00 169 S 7.76 4.95 0.00 3.80 3.70 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 0.00 170 V 8.20 4.48 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 1.03 0.00 0.00 0.97 0.00 0.00 171 T 8.49 5.18 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 1.27 0.00 0.00 172 L 9.06 4.71 0.00 1.64 1.69 0.90 0.76 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 0.00 173 T 8.27 4.83 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 1.23 0.00 0.00 174 P 0.00 4.47 0.00 2.00 1.90 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 *176 V 8.18 3.87 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 0.82 0.00 0.00 0.91 0.00 0.00 177 R 8.38 3.56 0.00 1.23 0.66 0.00 2.21 0.00 0.00 2.50 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.20 0.00 178 Q 7.44 4.78 0.00 2.34 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 179 A 8.45 5.07 1.20 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 0.00 0.00 180 P 0.00 4.66 0.00 1.98 2.14 0.00 3.79 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 2.07 1.98 0.00 181 A 8.64 4.05 1.26 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 0.00 0.00 182 E 8.73 4.19 0.00 2.10 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 2.27 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.