NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 Q 4.3921 8.3449 119.7199 56.2095 30.9338 176.6653 32 Q 4.1520 7.7752 120.6815 52.5588 27.0670 173.2908 33 Y 4.8399 7.9443 118.9414 55.9893 41.6183 174.4671 34 V 4.5288 8.1832 113.0181 59.5057 35.2408 175.1942 35 N 5.0916 8.8733 120.7811 53.4661 39.7351 174.8663 36 I 4.3612 8.7388 123.5850 59.9843 38.3459 174.8139 37 N 4.8607 8.7100 126.4247 50.8931 40.4723 172.5398 38 P 4.7616 0.0000 0.0000 60.8674 33.5916 176.4713 39 P 4.9887 0.0000 0.0000 61.0204 30.7574 174.0006 *41 P 4.1439 0.0000 0.0000 62.5089 32.3294 175.9418 42 S 4.6087 8.4312 114.6780 57.5315 63.2679 173.6281 43 D 5.0462 8.5248 126.8038 52.9305 40.4078 176.7556 44 T 4.6844 7.9962 106.0400 60.2210 68.9419 171.8438 45 P 4.2782 0.0000 0.0000 65.3354 32.2001 177.5462 46 G 4.0155 9.2862 110.2057 45.2029 0.0000 172.9786 47 K 4.8979 7.7517 117.6955 54.4915 36.3345 175.9557 48 I 4.2407 8.7017 125.1615 60.3737 38.5894 174.5360 49 E 4.8462 8.7938 128.7400 55.2972 31.5294 174.8107 50 V 4.9717 8.8483 126.2959 61.1762 34.4461 173.8762 51 L 5.0545 9.3407 128.1513 52.8602 44.5310 174.9942 52 E 4.3717 8.6398 124.7382 54.2564 31.9061 174.5766 53 F 4.7892 8.9215 127.8260 56.7889 40.5129 175.2348 54 F 5.4591 8.9458 117.8875 55.4615 42.3418 173.1642 55 A 4.3873 8.4791 119.0850 50.4839 21.5753 177.0363 56 Y 4.0213 8.8022 120.9580 61.2658 38.1340 177.9712 57 T 4.1915 8.0002 107.8830 63.3093 69.5284 174.4840 58 C 4.4435 8.5331 124.3712 58.2545 32.0027 171.7773 59 P 3.9404 0.0000 0.0000 66.3776 30.7288 178.0683 60 H 4.2174 8.0561 115.4303 58.8027 28.7290 177.3451 61 C 4.1713 8.0926 118.0172 62.5193 27.8055 175.8095 62 A 3.2852 7.9694 121.7703 54.8289 18.0511 179.1516 63 A 4.0057 7.8568 118.5223 55.1165 18.5734 179.1146 64 I 3.9351 7.4980 114.9433 62.2625 38.4452 176.8737 65 E 3.9037 7.5989 120.7827 58.9724 29.1933 177.7236 66 P 4.3845 0.0000 0.0000 63.6000 31.5826 178.0622 *68 V 4.1312 7.9019 120.1213 63.1373 33.2578 177.4255 69 E 4.0702 8.4896 119.2839 59.5416 29.0006 179.0153 70 D 4.3905 7.9754 117.8155 57.1656 41.1054 178.3039 71 W 4.1916 8.3533 128.0704 60.5170 30.2183 177.6604 72 A 3.7873 8.6265 120.8375 55.0583 17.5670 179.7811 73 K 4.0180 7.8162 116.2191 58.6507 32.1251 178.0396 74 T 4.2614 6.9785 106.0463 60.7905 69.1701 174.3932 75 A 3.5267 6.7357 124.0798 51.2294 18.9509 176.0964 76 P 4.2785 0.0000 0.0000 62.6776 31.8338 178.1479 77 Q 3.9605 8.6915 121.2732 58.2925 28.9157 176.9601 78 D 4.8516 8.0237 116.7589 52.7557 39.8088 175.2911 79 V 5.0627 7.7287 119.1989 61.6199 34.3268 175.2349 80 V 4.5689 8.5575 125.1047 59.9628 34.6830 173.7451 81 L 5.2528 8.7430 126.0853 53.4571 44.0436 175.2280 82 K 4.6453 8.9735 126.2854 54.8458 35.5477 174.5215 83 Q 4.7459 8.7818 126.2526 54.4223 30.4581 175.0465 84 V 4.1789 8.7528 124.4197 59.9761 34.0955 172.8401 85 P 3.2190 0.0000 0.0000 62.2889 31.7344 175.4696 86 I 4.4437 7.9238 123.2510 59.0138 41.0855 174.6605 87 A 4.3248 7.7797 127.6797 50.6114 21.1761 176.2501 88 F 4.6211 8.5599 121.9771 58.8216 39.7278 175.1507 89 N 5.0976 7.7553 115.5136 50.5399 40.5018 174.1245 90 A 4.1213 8.7481 121.1393 55.2864 18.5051 180.1069 91 G 3.8301 7.5609 106.3421 45.1765 0.0000 174.5344 *93 K 4.5770 8.1072 121.2522 55.6509 34.3359 175.5340 94 P 4.4217 0.0000 0.0000 65.7924 31.2708 178.5153 95 L 4.4767 8.0354 117.1901 57.6614 41.0139 179.5029 96 Q 3.9459 7.9087 117.8344 58.9343 28.7473 178.1527 97 Q 3.9027 8.2189 119.2449 58.9105 28.6890 178.6455 98 L 4.2392 8.6250 121.5113 58.5882 42.0263 178.2257 99 Y 4.3189 8.1278 118.6448 61.3855 38.6985 178.0261 100 Y 4.0184 7.8920 116.5450 60.8155 37.9111 178.4659 101 T 3.8583 8.1960 117.4414 66.5523 68.5728 176.7684 102 L 4.1106 8.1056 120.9635 57.8784 41.6355 179.6296 103 Q 3.9113 7.7543 117.5576 58.8141 28.3866 178.5861 104 A 4.0837 8.0303 121.0555 54.7543 18.5106 178.9011 105 L 4.1535 7.9051 115.1580 54.5627 42.2888 176.5324 106 E 3.8376 8.0897 117.5498 58.1106 27.9325 175.0065 107 R 4.9442 8.0571 111.8364 53.1764 30.8073 175.8374 108 P 4.2943 0.0000 0.0000 65.7407 31.0786 177.8967 109 D 4.4820 8.1707 118.7474 56.1871 38.8811 177.7262 110 L 4.4249 8.2596 119.4530 56.1802 41.8508 178.3544 111 H 4.3272 8.2677 119.6811 58.9581 29.8235 175.3994 112 P 4.6427 0.0000 0.0000 65.8905 31.1018 178.3786 113 K 4.2673 7.9010 119.2608 58.4957 31.8751 179.4366 114 V 2.7845 7.5744 118.5163 65.5721 31.1906 177.8574 115 F 4.3135 8.0749 117.2147 61.0665 38.6187 177.6246 116 T 3.9779 7.9973 109.1127 64.7667 68.3866 176.2260 117 A 4.0129 8.3476 123.9179 54.9540 18.4185 179.7125 118 I 3.7702 7.5797 119.5103 64.4257 37.1034 178.4198 119 H 4.3813 8.4091 115.9542 58.4152 28.7518 177.0973 120 T 4.2493 7.6605 115.9116 66.1169 68.8817 175.9112 121 E 4.1495 8.3139 118.0956 56.6375 29.7829 177.1665 122 R 4.4818 7.8230 115.4261 56.2035 27.5609 175.9296 123 K 4.0992 8.0485 118.2181 56.0727 33.1171 178.5400 124 R 3.4168 8.0369 125.3155 55.4987 28.9500 178.7720 125 L 3.9468 6.1272 120.4826 54.2159 40.1483 177.6761 126 F 5.1170 7.2548 113.7085 56.9481 40.3444 175.3061 127 D 4.8595 7.6438 118.7936 51.3244 42.2308 174.9286 128 K 3.5028 8.9131 121.8928 59.6267 32.4029 177.9706 129 K 3.9266 8.2330 118.8251 59.5977 32.4211 179.5654 130 A 4.6049 9.0467 119.0983 52.2851 17.9565 179.3654 *132 G 2.7745 8.2485 109.4490 46.7746 0.0000 175.7714 133 E 3.7945 8.0979 120.2973 58.8813 29.2044 179.2889 134 W 4.0638 7.8700 126.5051 60.5154 30.9770 177.5475 135 A 3.6913 7.7858 119.9426 54.7809 17.7040 179.1068 136 A 4.3501 8.2722 121.3924 54.5631 18.1970 179.2112 137 S 4.3920 7.4092 109.6742 59.3873 63.3126 174.6984 138 Q 4.2341 7.9035 121.3812 55.7013 28.7468 176.7157 139 G 3.8809 7.6790 106.1749 45.0650 0.0000 174.5996 140 V 3.7402 7.2439 120.1274 61.9831 32.4277 174.3606 141 D 4.5450 8.6293 125.9110 54.1998 41.8037 176.4452 142 R 3.8409 8.8384 127.8867 59.9421 29.9326 177.9045 143 A 4.1156 7.9627 119.7478 54.8048 18.5756 179.3656 144 K 3.9905 8.1757 118.3562 59.3355 32.1482 178.9621 145 F 4.0593 8.5715 121.2648 61.5278 39.2045 176.8687 146 D 4.5228 8.2008 117.3407 57.3582 40.6882 178.7834 147 S 4.3257 8.2611 114.8700 61.4771 63.2428 176.7764 148 V 3.5646 7.9122 122.1205 65.4891 31.0263 177.6683 149 F 4.3579 8.1204 121.2684 59.8970 39.1671 175.8126 150 D 4.8530 7.4203 115.5990 52.9873 41.8310 177.2462 151 S 4.3586 7.3723 116.2796 58.2889 64.9671 175.0072 152 F 4.1278 8.7761 124.7679 61.3443 39.1831 177.3736 153 S 3.9282 8.0794 112.3805 61.4274 62.3124 176.1339 154 V 3.4228 7.4696 120.3282 65.9253 31.1940 177.5852 155 Q 3.7822 7.7254 119.0040 59.3986 28.8297 178.5261 156 T 3.5116 7.4158 116.4628 66.7969 68.4918 176.7194 157 Q 3.6217 7.5763 119.7090 58.6342 28.4802 179.1035 158 V 3.5892 7.5115 119.4233 65.7561 31.4078 178.2034 159 Q 3.8873 7.7492 117.8888 59.0107 28.6216 178.7710 160 R 3.8328 7.8937 118.7723 59.1193 29.9899 178.8415 161 A 4.0065 8.0111 120.3649 55.5877 18.4689 179.8679 162 S 4.0310 8.0666 113.4129 61.7420 62.7853 177.1579 163 Q 3.9421 8.2498 120.9574 58.9546 28.4739 178.6616 164 L 4.0197 8.4886 120.1149 57.8472 41.6831 179.3982 165 A 3.5327 8.4264 120.9727 54.9824 18.2343 179.3633 166 E 3.7527 8.1352 117.4766 59.3952 29.5508 178.8929 167 A 3.8760 7.8943 119.3670 54.7483 18.5447 178.5809 168 A 4.1759 7.8779 116.1650 51.5894 19.3507 176.6957 169 H 3.9772 7.6845 113.5731 56.4244 27.0458 175.5772 170 I 3.7202 7.3561 119.1852 61.7467 37.3347 176.3534 171 D 4.7479 8.3542 122.8666 53.8297 42.2568 175.2535 172 G 4.0892 7.5085 106.6772 45.3738 0.0000 172.4698 173 T 4.8577 8.1777 108.3172 59.0602 71.6994 171.7886 174 P 4.9010 0.0000 0.0000 62.5586 32.8463 175.0727 175 A 4.8982 8.5007 122.0756 50.2386 22.5555 174.8193 176 F 5.3522 9.2096 119.8248 55.6614 41.4495 174.8128 177 A 5.1665 9.2315 126.1577 50.2467 21.4252 175.4592 178 V 4.6158 8.9031 122.5182 61.7932 34.7476 175.6531 179 G 4.1480 9.8224 114.2792 45.9838 0.0000 174.1705 180 G 3.9486 8.1438 104.8111 45.7262 0.0000 175.6550 181 R 4.2574 7.9859 118.7372 55.9111 32.7481 174.3217 182 Y 5.4516 6.9917 114.5984 55.6259 42.1481 174.1610 *184 T 4.6242 8.2698 114.2990 63.4296 69.4522 173.1857 185 S 4.9882 8.1870 115.5731 56.1155 65.7286 174.8372 186 P 4.2381 0.0000 0.0000 65.9099 30.7386 179.1345 187 V 3.6167 7.6995 115.0717 65.9998 31.8628 177.5924 188 L 4.1561 7.8257 118.7110 57.7828 41.2785 179.3822 189 A 4.1975 8.4273 120.1056 54.3124 18.2528 178.7703 190 G 3.9879 7.3664 102.2900 44.2219 0.0000 172.5421 191 N 4.7803 7.6612 117.3399 51.8438 43.3056 173.3670 192 D 4.9694 7.6294 114.8463 53.3221 41.6192 176.4170 193 Y 4.4789 7.5233 118.7464 61.2418 38.2579 178.1721 194 A 4.1201 8.4351 122.0907 54.9735 18.4206 179.9326 195 G 3.5223 8.5485 104.2794 47.8931 0.0000 175.7280 196 A 4.0638 7.8750 123.1271 55.0405 18.3450 179.7686 197 L 4.0157 7.9964 117.2964 57.4463 41.6870 179.5382 198 K 4.0553 8.0646 119.9282 59.3717 32.0525 178.8344 199 V 3.8175 7.7437 119.9048 65.4576 31.4261 178.0022 200 V 3.5823 7.4874 117.5390 66.1378 31.3693 177.6437 201 D 4.3504 8.1542 118.4566 57.7056 40.6314 178.9257 202 Q 4.0414 8.1648 118.3355 58.9553 28.6625 178.9294 203 L 4.1477 8.3077 120.4594 57.5178 41.5717 179.5812 204 I 3.7114 7.7637 120.1253 64.2236 36.8032 178.5885 205 V 3.5379 7.4611 117.7612 65.9989 31.4785 177.2957 206 Q 4.1224 8.0483 118.4789 59.3468 28.9843 178.4889 207 S 4.2517 8.1243 115.0741 61.4443 63.0839 176.1987 208 R 3.9492 7.7809 120.8701 58.1149 29.7837 176.5050 209 E 4.3380 7.7234 122.4891 56.8707 29.8091 175.6310 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 31 Q 8.34 4.39 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.40 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 32 Q 7.78 4.15 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.61 0.00 33 Y 7.94 4.84 0.00 3.09 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 34 V 8.18 4.53 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 0.96 0.00 0.00 1.03 0.00 0.00 35 N 8.87 5.09 0.00 2.68 2.87 0.00 0.00 6.88 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 36 I 8.74 4.36 1.95 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 1.19 0.76 0.95 0.00 0.00 37 N 8.71 4.86 0.00 2.64 2.69 0.00 0.00 7.25 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 38 P 0.00 4.76 0.00 2.22 2.04 0.00 3.88 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 39 P 0.00 4.99 0.00 2.15 1.92 0.00 3.40 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 *41 P 0.00 4.14 0.00 2.23 2.13 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 42 S 8.43 4.61 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 43 D 8.52 5.05 0.00 2.77 2.69 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 44 T 8.00 4.68 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 45 P 0.00 4.28 0.00 2.06 2.07 0.00 3.71 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 46 G 9.29 4.02 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 0.00 0.00 0.00 47 K 7.75 4.90 0.00 1.81 1.69 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.55 7.81 48 I 8.70 4.24 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.83 0.99 0.00 0.00 49 E 8.79 4.85 0.00 2.08 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 0.00 2.37 2.34 0.00 50 V 8.85 4.97 2.29 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 0.98 0.00 0.00 1.12 0.00 0.00 51 L 9.34 5.05 0.00 1.43 1.00 0.96 0.54 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 52 E 8.64 4.37 0.00 1.75 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.47 0.00 53 F 8.92 4.79 0.00 2.93 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 54 F 8.95 5.46 0.00 3.06 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 55 A 8.48 4.39 1.19 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 56 Y 8.80 4.02 0.00 2.99 2.81 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 57 T 8.00 4.19 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 1.33 0.00 0.00 58 C 8.53 4.44 0.00 3.15 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 59 P 0.00 3.94 0.00 2.19 2.32 0.00 3.83 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.06 0.00 60 H 8.06 4.22 0.00 3.30 3.43 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 8.09 4.17 0.00 3.50 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.97 3.29 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 63 A 7.86 4.01 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 64 I 7.50 3.94 1.89 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.89 0.96 0.00 0.00 65 E 7.60 3.90 0.00 1.29 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.38 0.00 66 P 0.00 4.38 0.00 2.20 2.06 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 *68 V 7.90 4.13 2.24 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 1.23 0.00 0.00 1.08 0.00 0.00 69 E 8.49 4.07 0.00 2.23 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 2.41 2.61 0.00 70 D 7.98 4.39 0.00 2.74 2.78 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 71 W 8.35 4.19 0.00 3.41 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 72 A 8.63 3.79 1.51 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 0.00 0.00 73 K 7.82 4.02 0.00 1.86 1.85 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.63 7.81 74 T 6.98 4.26 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 75 A 6.74 3.53 0.39 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 76 P 0.00 4.28 0.00 2.16 1.96 0.00 3.45 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 77 Q 8.69 3.96 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.41 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 78 D 8.02 4.85 0.00 2.82 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 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0.00 7.31 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 97 Q 8.22 3.90 0.00 1.77 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.74 0.00 0.00 0.00 0.00 0.00 2.07 2.38 0.00 98 L 8.62 4.24 0.00 2.03 2.14 1.27 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.13 4.32 0.00 3.25 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 0.00 100 Y 7.89 4.02 0.00 3.06 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 0.00 101 T 8.20 3.86 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 0.85 0.00 0.00 102 L 8.11 4.11 0.00 1.70 1.78 1.12 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 7.75 3.91 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 104 A 8.03 4.08 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 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0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.40 7.81 130 A 9.05 4.60 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 *132 G 8.25 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 0.00 0.00 0.00 133 E 8.10 3.79 0.00 2.12 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 2.26 2.49 0.00 134 W 7.87 4.06 0.00 3.20 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 7.79 3.69 1.08 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 0.00 136 A 8.27 4.35 1.28 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 0.00 137 S 7.41 4.39 0.00 3.83 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 0.00 138 Q 7.90 4.23 0.00 1.72 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.15 2.29 0.00 156 T 7.42 3.51 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 1.02 0.00 0.00 157 Q 7.58 3.62 0.00 1.15 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.08 2.29 0.00 158 V 7.51 3.59 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.00 0.00 0.00 159 Q 7.75 3.89 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 160 R 7.89 3.83 0.00 1.88 1.93 0.00 3.08 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 161 A 8.01 4.01 1.48 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 0.00 0.00 162 S 8.07 4.03 0.00 3.99 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 0.00 163 Q 8.25 3.94 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 164 L 8.49 4.02 0.00 1.96 1.98 0.95 0.78 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 0.00 165 A 8.43 3.53 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 0.00 166 E 8.14 3.75 0.00 2.23 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 2.34 0.00 167 A 7.89 3.88 1.32 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 0.00 0.00 0.00 168 A 7.88 4.18 1.21 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 0.00 0.00 169 H 7.68 3.98 0.00 3.29 3.33 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 0.00 170 I 7.36 3.72 1.56 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 -0.36 0.86 0.00 0.00 171 D 8.35 4.75 0.00 2.57 2.55 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 0.00 0.00 0.00 0.00 172 G 7.51 4.09 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 0.00 173 T 8.18 4.86 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 1.37 0.00 0.00 174 P 0.00 4.90 0.00 1.89 2.07 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 175 A 8.50 4.90 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 0.00 176 F 9.21 5.35 0.00 2.88 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 0.00 177 A 9.23 5.17 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 0.00 178 V 8.90 4.62 2.27 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 1.13 0.00 0.00 1.01 0.00 0.00 179 G 9.82 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.14 3.95 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 0.00 0.00 0.00 181 R 7.99 4.26 0.00 0.78 0.98 0.00 2.95 0.00 0.00 2.96 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.47 0.00 182 Y 6.99 5.45 0.00 2.85 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 *184 T 8.27 4.62 4.37 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 1.24 0.00 0.00 185 S 8.19 4.99 0.00 4.14 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 0.00 186 P 0.00 4.24 0.00 2.21 2.19 0.00 3.71 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 187 V 7.70 3.62 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 0.95 0.00 0.00 0.93 0.00 0.00 188 L 7.83 4.16 0.00 1.88 1.76 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 189 A 8.43 4.20 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 0.00 190 G 7.37 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 0.00 0.00 0.00 191 N 7.66 4.78 0.00 1.88 1.45 0.00 0.00 6.57 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 0.00 192 D 7.63 4.97 0.00 2.61 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 0.00 0.00 0.00 0.00 193 Y 7.52 4.48 0.00 3.04 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 0.00 194 A 8.44 4.12 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 0.00 195 G 8.55 3.52 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 0.00 0.00 0.00 196 A 7.87 4.06 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 0.00 197 L 8.00 4.02 0.00 1.87 1.71 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 198 K 8.06 4.06 0.00 1.93 1.92 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 199 V 7.74 3.82 2.29 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 1.14 0.00 0.00 0.99 0.00 0.00 200 V 7.49 3.58 2.27 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 0.96 0.00 0.00 0.96 0.00 0.00 201 D 8.15 4.35 0.00 2.91 2.69 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 0.00 202 Q 8.16 4.04 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 203 L 8.31 4.15 0.00 1.82 1.71 0.92 0.70 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 0.00 204 I 7.76 3.71 2.09 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.72 0.91 0.00 0.00 205 V 7.46 3.54 2.24 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 0.79 0.00 0.00 1.00 0.00 0.00 206 Q 8.05 4.12 0.00 2.23 2.27 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 2.38 2.38 0.00 207 S 8.12 4.25 0.00 4.10 4.09 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 0.00 208 R 7.78 3.95 0.00 1.94 2.16 0.00 3.24 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 209 E 7.72 4.34 0.00 2.05 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 2.60 2.45 0.00 * Residues marked with a * may have inaccurate shift predictions.