NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5683 8.2993 120.0962 56.1988 34.5010 175.3377 3 T 4.8703 8.0101 108.5434 58.9265 72.3300 172.2642 4 F 4.8265 10.3340 127.4692 56.7026 42.3661 175.0212 5 I 4.9147 8.0222 126.9117 59.6655 39.6222 174.5345 6 I 5.0097 9.0698 128.0764 59.4745 40.3080 174.7286 7 G 3.9969 9.0760 114.1125 44.5137 0.0000 172.8579 8 I 5.0966 8.5172 123.5580 60.0128 40.9590 173.8798 9 S 5.7958 9.4200 123.1351 55.4485 65.9343 172.1820 10 G 3.7970 8.7325 106.0393 42.5507 0.0000 173.1152 11 V 3.7525 7.7971 120.5107 61.3572 31.7075 175.6460 12 T 3.9977 8.4417 115.0883 63.9788 67.4783 173.1188 13 N 4.3214 8.9342 122.5513 54.2368 36.2392 175.6161 14 S 4.2057 7.8119 114.1682 59.5882 63.6127 174.4136 15 G 3.9561 8.4876 110.4453 45.6751 0.0000 175.8770 16 K 3.8963 8.4371 120.9122 59.7285 32.1082 179.0434 17 T 3.8979 7.9838 115.3020 67.2554 68.2188 176.6076 18 T 3.8816 7.8156 116.9959 66.3758 68.5484 176.4679 19 L 3.9794 8.0089 122.1726 57.9327 42.0767 178.7428 20 A 4.0483 8.1606 120.8144 55.1839 18.3525 179.7724 21 K 3.8942 8.0158 116.9013 59.5747 32.2135 179.2744 22 N 4.0210 7.8210 116.6681 56.2021 38.4571 177.1465 23 L 4.2898 8.0137 120.1790 58.1686 41.6065 179.1924 24 Q 4.0024 8.0343 117.9704 59.5682 28.9606 178.7814 25 K 4.0586 7.7950 117.5829 59.0799 32.1080 178.1345 26 H 4.8384 7.7303 112.4777 54.3518 29.2999 174.2276 27 L 4.8716 7.4777 122.1694 52.2656 43.2019 174.5004 28 P 4.4641 0.0000 0.0000 63.3074 32.9822 175.4450 29 N 4.1929 8.8108 118.0416 55.4165 37.0836 172.7894 30 C 5.5179 8.0066 116.3960 57.8743 34.6701 173.5853 31 S 5.0418 9.6786 121.3837 56.7242 66.6938 173.0078 32 V 4.9300 8.2818 120.2292 61.2846 34.5356 174.5988 33 I 4.6916 8.7789 127.5757 59.6315 40.8134 174.3538 34 S 5.4674 8.5891 122.2753 55.9132 64.7432 175.2055 35 Q 4.1538 9.2240 126.5491 58.7321 29.0206 177.5358 36 D 4.7606 8.1344 115.8548 56.4361 41.1638 176.5851 37 D 4.5770 8.1149 117.7912 55.3935 41.1938 176.6373 38 F 4.8050 8.0032 117.7073 57.0980 40.4277 175.2888 39 F 4.8625 8.4239 117.4708 57.2947 39.4498 175.6961 40 K 4.5073 9.2082 122.6508 55.3751 32.9748 175.4005 41 P 4.4899 0.0000 0.0000 62.4198 32.1582 176.8007 42 E 4.0466 9.0714 120.4439 59.8844 29.1150 179.2077 43 S 4.3245 8.0819 111.7081 60.2225 63.3344 174.9126 44 E 4.4259 8.3982 121.1015 56.0330 30.2811 176.1042 45 I 4.0480 6.8063 119.4969 61.0110 38.0277 175.2023 46 E 4.9261 8.6195 123.1383 54.7747 33.1593 174.7543 47 T 5.2605 8.2532 112.1771 59.8542 71.1601 174.4940 48 D 4.7064 8.7376 125.6665 52.6808 40.6953 176.5625 49 K 3.8530 8.7997 117.5455 60.1909 31.8834 177.7384 50 N 4.4351 8.2166 112.4222 52.8770 38.7910 174.6799 51 G 3.5834 7.8871 105.4871 46.9534 0.0000 174.7773 52 F 5.3204 8.5389 117.8452 55.0319 41.2590 175.8003 53 L 4.6133 8.9450 126.4647 55.3195 41.8803 178.4071 54 Q 4.3621 9.4244 125.2996 55.3880 26.9524 174.7632 55 Y 4.5659 8.4076 118.5370 58.8900 39.4494 175.9657 56 D 5.4538 8.3966 118.9756 54.4829 41.7003 176.5433 57 V 4.6092 7.6903 110.3754 59.3208 36.0474 176.8253 58 L 3.8820 8.6470 122.5151 58.0627 41.5727 179.0193 59 E 4.1900 8.2505 115.2800 57.8309 29.7404 176.7325 60 A 4.7300 8.3899 120.9429 51.5679 20.2747 176.3040 61 L 5.2250 7.7206 115.5800 53.3353 45.0265 176.3625 62 N 4.7040 9.5308 120.7869 52.7678 39.6681 176.0578 *64 E 4.1698 8.7141 118.8794 56.4357 32.2384 177.2999 65 K 4.3060 7.2918 119.6658 56.4829 29.8003 176.9175 *68 S 4.3242 7.9199 116.0858 58.0991 64.8641 175.5823 69 A 4.1593 7.9112 121.7754 55.1307 17.7876 179.7017 70 I 3.8269 7.5609 117.3073 64.5026 37.3562 178.2946 71 S 4.3473 7.9940 114.9451 61.3743 62.9516 176.0485 72 C 4.3704 8.1928 119.6641 62.5214 27.8826 176.4608 73 W 4.2633 7.9786 126.3888 58.5140 30.0982 176.9531 *75 E 4.1753 8.1514 117.6725 55.8499 30.8041 177.9419 76 S 4.0403 8.0884 112.8398 60.2138 63.6106 175.3335 77 A 3.6554 7.6087 124.5663 54.7485 18.0532 179.3340 78 R 4.0307 7.1414 111.4453 57.6436 29.7644 176.6346 79 H 4.8044 7.5529 115.2315 54.8387 29.7489 173.6728 *92 I 3.9798 7.6817 118.3391 60.1137 39.1450 173.6090 93 P 4.8184 0.0000 0.0000 62.9650 32.5249 175.1922 94 I 5.2208 9.6136 125.4348 59.4501 40.5246 174.3069 95 L 4.5390 8.6930 128.1733 53.1976 44.5649 174.9198 96 I 4.7797 8.7093 128.5402 60.1410 39.2321 174.9588 97 I 4.8885 9.1745 128.7873 59.6479 39.1085 174.2573 98 E 5.0937 8.6527 126.1643 54.5128 32.2278 175.4623 99 G 4.2475 8.1848 106.9561 45.9433 0.0000 174.1926 100 F 4.8038 9.5328 116.2397 57.3006 38.4924 176.2486 101 L 3.3427 7.1593 122.9277 53.2210 42.5835 174.0130 102 L 4.6378 8.6684 122.2292 55.3361 44.3139 178.2842 103 F 5.5657 8.1623 114.3299 57.9708 38.8137 175.4075 104 N 4.9726 8.5372 116.4145 52.5971 38.1080 173.6469 105 Y 4.5549 7.9888 121.9880 55.9947 38.8542 175.7640 106 K 4.3235 8.4180 127.7118 58.3920 32.3828 177.7274 107 P 4.1348 0.0000 0.0000 65.2736 31.5234 177.4323 108 L 3.7487 7.8443 117.3180 56.5815 41.7488 178.5625 109 D 3.6306 7.8219 119.0239 57.2882 40.7689 178.2714 110 T 4.1185 7.2816 106.4348 61.8997 69.4314 175.5753 111 I 4.1720 7.0637 123.0513 62.6796 39.9498 176.8271 112 W 4.5105 7.2228 118.8329 57.5300 29.2873 175.1760 113 N 4.6620 8.7960 119.3933 54.1106 40.0145 175.3879 114 R 4.5850 7.4971 117.1570 54.8747 34.1104 174.0195 115 S 4.8363 8.1007 120.0306 56.8576 67.1304 172.4141 116 Y 5.1841 9.1138 121.2225 56.1106 41.9327 174.2799 117 F 5.1575 9.1565 125.2548 56.4258 42.3639 173.5587 118 L 5.0204 8.1483 126.9357 54.3556 42.8033 176.4277 119 T 4.8753 9.2427 120.4706 61.8091 71.5271 173.0290 120 I 4.9708 8.3469 125.0616 58.4531 41.4186 173.2149 121 P 4.6386 0.0000 0.0000 62.3011 32.4675 176.7197 122 Y 3.1185 8.7710 120.9768 61.0015 38.3807 178.6758 123 E 3.6421 8.0172 118.7523 59.0626 29.5750 178.7926 124 E 3.8358 7.9105 119.0335 59.2201 29.8517 178.1376 125 C 4.0333 8.1722 119.0753 62.4072 31.2727 175.5456 126 K 2.4800 7.2995 120.8248 58.4690 31.2691 178.9965 127 R 3.6992 7.1341 118.1248 59.3004 30.3658 178.2224 128 R 3.9861 7.9005 117.9402 59.3359 30.1233 178.7444 129 R 4.1112 7.9066 118.6112 59.7179 29.7802 178.1003 130 S 4.3901 7.4775 111.0191 60.0049 63.2667 175.2558 131 T 4.3071 7.7287 112.6268 61.0608 69.2606 174.1059 132 R 4.2687 7.2720 122.2624 54.3661 31.9240 174.9636 133 V 3.9133 8.1313 125.4785 62.0807 31.4586 175.0789 134 Y 4.1624 8.3686 125.6409 56.9575 39.2947 174.5457 135 Q 4.3154 8.0684 121.2156 53.8501 30.8871 172.5361 136 P 4.3836 0.0000 0.0000 61.7632 32.0793 174.5994 137 P 4.5374 0.0000 0.0000 61.6515 31.8821 176.2198 138 D 3.9131 8.4445 121.1828 54.2459 40.9113 176.9761 139 S 4.3839 8.0835 119.1595 56.9650 63.9990 171.3821 140 P 4.4588 0.0000 0.0000 63.8606 31.2051 176.8536 141 G 4.0639 9.1657 111.5606 47.0382 0.0000 174.6198 142 Y 3.6742 8.1201 122.9401 60.0506 38.6503 177.1905 143 F 3.9582 8.3442 121.1395 61.7125 39.2952 176.8062 144 D 4.4608 8.2296 116.5732 57.2074 40.8540 178.5347 145 G 3.5656 7.9460 105.2537 46.6683 0.0000 173.4713 146 H 4.3584 7.6237 117.8992 57.6120 31.8274 174.4534 147 V 3.6354 7.0677 116.8027 65.7929 31.8231 176.7856 148 W 4.1537 8.4245 129.5501 60.0546 30.8910 177.5308 149 P 4.1179 0.0000 0.0000 63.1574 30.5555 177.4019 *151 Y 4.6369 8.0037 121.5365 57.6532 40.5551 177.1168 152 L 3.4700 7.4867 119.5757 57.3056 41.6730 179.3581 153 K 3.9103 7.8274 119.5338 59.2796 31.8211 178.3957 154 Y 4.1682 7.5401 118.8940 60.6709 38.9707 177.0659 155 R 3.4863 7.3509 117.9121 59.1691 30.1067 178.5329 156 Q 3.9651 7.5351 118.3654 58.6281 29.8061 178.1816 157 E 4.1620 7.6187 119.8087 56.2052 28.0456 177.7360 *159 Q 4.1803 7.9374 117.9044 55.6260 31.0978 176.7273 160 D 4.4267 7.8561 115.3212 54.1323 40.1954 176.6434 161 I 3.1268 7.4376 120.6240 62.2452 37.1997 175.5056 162 T 4.1053 8.3829 115.3915 62.9636 69.5658 175.1121 163 W 4.5480 7.8598 118.3022 55.1545 29.7204 174.4004 164 E 4.2262 8.7243 119.3465 54.9465 29.6484 174.8315 165 V 4.0998 7.9099 126.0719 60.8369 33.7317 174.7779 166 V 4.0147 8.1574 128.7183 62.3919 32.4087 174.3957 167 Y 4.8525 8.8531 126.4479 57.6299 38.9267 174.9646 168 L 4.8660 9.7264 124.9272 52.8951 45.4596 175.5268 169 D 4.9813 8.8132 122.9918 53.3880 41.3078 176.9988 170 G 3.8722 9.3395 116.6185 47.3766 0.0000 173.3372 171 T 4.1178 7.8275 109.2694 63.2551 69.3936 175.1961 172 K 4.1065 7.4493 120.7099 56.0894 32.7522 176.6715 173 S 4.3244 8.3161 112.7778 58.5391 64.0234 174.4053 174 E 4.0054 8.6586 126.8426 59.1244 29.4822 178.7951 175 E 4.1925 8.1348 117.2145 59.0543 30.0754 178.4906 176 D 4.3962 8.0858 119.5016 57.2498 41.0074 178.5238 177 L 4.0153 7.9603 119.4446 57.7125 41.6387 179.2961 178 F 4.2178 8.0087 120.5798 61.3678 39.2912 177.2437 179 L 3.6653 8.4003 119.0816 57.4991 41.3551 179.1452 180 Q 4.0643 8.1570 119.6748 59.2615 29.0170 178.5418 181 V 3.5713 7.6197 119.0213 65.6598 31.2771 177.4503 182 Y 4.1779 7.5443 118.8484 60.7085 38.8122 177.2611 183 E 3.8472 8.3459 119.8631 58.9269 29.4814 178.3359 184 D 4.4262 7.8685 116.3190 57.9608 41.0901 179.1237 185 L 4.1206 8.2019 118.4521 56.9538 41.5832 178.7068 186 I 3.9958 7.9992 119.3756 62.2127 37.6190 176.8376 187 Q 4.3055 7.3447 117.0541 56.1318 28.4529 176.0060 188 E 4.5891 7.8139 120.3051 57.0929 32.1332 177.5001 189 L 3.8102 7.2682 115.8802 55.5569 42.4344 178.0309 190 A 4.0876 8.0758 122.8370 55.2969 18.3627 180.2619 191 K 4.5692 7.3963 112.3959 56.9578 31.6535 177.4109 192 Q 4.2684 8.0603 124.4062 56.1239 29.0396 175.5787 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 K 8.30 4.57 0.00 1.67 1.95 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.47 7.81 3 T 8.01 4.87 4.72 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 1.16 0.00 0.00 4 F 10.33 4.83 0.00 3.13 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 5 I 8.02 4.91 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.82 0.87 0.00 0.00 6 I 9.07 5.01 2.05 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.90 1.19 0.00 0.00 7 G 9.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 5.10 1.91 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 1.30 0.89 0.95 0.00 0.00 9 S 9.42 5.80 0.00 3.16 3.51 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 10 G 8.73 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 11 V 7.80 3.75 0.73 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 0.62 0.00 0.00 0.72 0.00 0.00 12 T 8.44 4.00 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 1.36 0.00 0.00 13 N 8.93 4.32 0.00 2.93 2.89 0.00 0.00 7.01 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 14 S 7.81 4.21 0.00 3.97 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 15 G 8.49 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 0.00 0.00 0.00 16 K 8.44 3.90 0.00 1.84 1.89 0.00 1.88 0.00 0.00 1.86 0.00 0.00 3.18 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.50 1.52 7.81 17 T 7.98 3.90 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 1.21 0.00 0.00 18 T 7.82 3.88 4.36 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 1.18 0.00 0.00 19 L 8.01 3.98 0.00 1.80 1.81 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.16 4.05 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 21 K 8.02 3.89 0.00 1.76 1.82 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.71 1.60 7.81 22 N 7.82 4.02 0.00 2.65 1.89 0.00 0.00 7.03 6.95 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 23 L 8.01 4.29 0.00 1.94 1.89 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.03 4.00 0.00 2.10 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 25 K 7.79 4.06 0.00 1.65 1.58 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.65 7.81 26 H 7.73 4.84 0.00 3.00 3.33 0.00 5.82 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.48 4.87 0.00 1.90 1.72 1.09 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.46 0.00 2.23 2.11 0.00 4.03 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 29 N 8.81 4.19 0.00 3.03 3.08 0.00 0.00 6.58 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 30 C 8.01 5.52 0.00 3.13 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 31 S 9.68 5.04 0.00 3.70 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 32 V 8.28 4.93 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 0.84 0.00 0.00 1.02 0.00 0.00 33 I 8.78 4.69 1.85 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.78 1.00 0.00 0.00 34 S 8.59 5.47 0.00 4.08 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 35 Q 9.22 4.15 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 36 D 8.13 4.76 0.00 2.87 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.11 4.58 0.00 2.55 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 0.00 0.00 0.00 0.00 38 F 8.00 4.80 0.00 3.02 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 39 F 8.42 4.86 0.00 3.05 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 40 K 9.21 4.51 0.00 1.66 1.80 0.00 1.86 0.00 0.00 1.94 0.00 0.00 3.13 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.70 1.51 7.81 41 P 0.00 4.49 0.00 2.25 2.21 0.00 3.84 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 2.12 2.01 0.00 42 E 9.07 4.05 0.00 2.11 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 0.00 2.46 2.55 0.00 43 S 8.08 4.32 0.00 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.40 4.43 0.00 2.11 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 2.28 2.35 0.00 45 I 6.81 4.05 1.69 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 -0.10 0.41 0.00 0.00 46 E 8.62 4.93 0.00 1.89 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 2.29 2.25 0.00 47 T 8.25 5.26 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 48 D 8.74 4.71 0.00 3.02 3.11 0.00 0.00 0.00 0.00 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7.92 4.32 0.00 3.90 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 69 A 7.91 4.16 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 70 I 7.56 3.83 1.79 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.42 0.83 0.00 0.00 71 S 7.99 4.35 0.00 3.99 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 72 C 8.19 4.37 0.00 3.28 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 73 W 7.98 4.26 0.00 3.49 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 *75 E 8.15 4.18 0.00 2.22 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 2.25 2.73 0.00 76 S 8.09 4.04 0.00 3.91 4.03 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 77 A 7.61 3.66 0.38 0.00 0.00 0.00 0.00 0.00 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0.00 139 S 8.08 4.38 0.00 4.11 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 0.00 140 P 0.00 4.46 0.00 2.15 2.12 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 141 G 9.17 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 0.00 0.00 0.00 142 Y 8.12 3.67 0.00 3.25 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.34 3.96 0.00 3.18 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 0.00 144 D 8.23 4.46 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 0.00 145 G 7.95 3.57 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 0.00 0.00 0.00 146 H 7.62 4.36 0.00 2.14 2.08 0.00 5.97 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.07 3.64 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 0.86 0.00 0.00 0.72 0.00 0.00 148 W 8.42 4.15 0.00 2.78 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 P 0.00 4.12 0.00 2.13 2.03 0.00 3.56 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 2.15 2.09 0.00 *151 Y 8.00 4.64 0.00 2.94 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 0.00 152 L 7.49 3.47 0.00 1.69 1.51 0.96 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 153 K 7.83 3.91 0.00 1.90 1.75 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.42 7.81 154 Y 7.54 4.17 0.00 2.79 3.04 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 0.00 0.00 0.00 155 R 7.35 3.49 0.00 1.55 1.66 0.00 2.95 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.44 0.00 156 Q 7.54 3.97 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.64 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 157 E 7.62 4.16 0.00 2.17 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 2.34 2.49 0.00 *159 Q 7.94 4.18 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.03 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 160 D 7.86 4.43 0.00 2.73 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 0.00 161 I 7.44 3.13 1.35 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.11 -0.45 0.00 0.00 162 T 8.38 4.11 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 1.29 0.00 0.00 163 W 7.86 4.55 0.00 3.35 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 0.00 164 E 8.72 4.23 0.00 1.95 1.91 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 2.18 2.26 0.00 165 V 7.91 4.10 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 0.02 0.00 0.00 0.02 0.00 0.00 166 V 8.16 4.01 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 1.17 0.00 0.00 0.83 0.00 0.00 167 Y 8.85 4.85 0.00 2.97 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 0.00 168 L 9.73 4.87 0.00 1.56 1.60 0.89 0.91 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 0.00 169 D 8.81 4.98 0.00 2.80 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 0.00 170 G 9.34 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 0.00 171 T 7.83 4.12 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 1.25 0.00 0.00 172 K 7.45 4.11 0.00 2.00 1.88 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.43 7.81 173 S 8.32 4.32 0.00 3.90 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 0.00 174 E 8.66 4.01 0.00 2.07 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 2.35 2.35 0.00 175 E 8.13 4.19 0.00 2.33 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 0.00 2.38 2.44 0.00 176 D 8.09 4.40 0.00 2.95 2.79 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 0.00 177 L 7.96 4.02 0.00 1.76 1.74 0.98 1.03 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 0.00 178 F 8.01 4.22 0.00 3.00 3.19 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 0.00 179 L 8.40 3.67 0.00 1.87 1.66 0.97 0.75 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 0.00 180 Q 8.16 4.06 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 181 V 7.62 3.57 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 0.41 0.00 0.00 0.53 0.00 0.00 182 Y 7.54 4.18 0.00 2.24 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 0.00 183 E 8.35 3.85 0.00 2.02 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 2.27 2.54 0.00 184 D 7.87 4.43 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 0.00 185 L 8.20 4.12 0.00 2.03 1.67 1.31 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 186 I 8.00 4.00 1.73 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.72 0.76 0.00 0.00 187 Q 7.34 4.31 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 188 E 7.81 4.59 0.00 2.01 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 0.00 2.46 2.40 0.00 189 L 7.27 3.81 0.00 1.47 1.55 0.77 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 190 A 8.08 4.09 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 0.00 191 K 7.40 4.57 0.00 1.75 1.86 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.42 7.81 192 Q 8.06 4.27 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.55 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.