NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3963 8.0333 117.3220 63.4582 70.6893 172.2011 4 I 4.6879 8.1046 123.9392 58.6516 40.5692 169.4700 5 V 4.2479 9.1988 128.1696 61.1272 34.4168 173.5792 6 N 5.0062 8.8168 125.5343 51.5341 40.4962 173.5678 7 L 5.2251 8.8564 125.8442 53.1763 45.1169 174.4706 8 L 5.3156 9.5172 129.0224 53.9560 44.0603 175.9855 9 V 4.5132 8.4333 121.2613 59.4476 34.4316 176.3307 10 G 3.9811 8.5551 111.1433 46.2486 0.0000 174.2294 11 G 3.8966 8.1527 109.7482 43.5153 0.0000 172.3585 12 P 4.2346 0.0000 0.0000 62.9026 31.6045 177.8116 13 T 2.4800 8.1727 110.6607 63.8006 68.9174 176.1709 14 A 3.8609 7.7097 123.9003 54.4150 18.5812 177.4304 15 N 4.7559 7.7173 111.6987 53.3442 39.2334 174.8726 16 Y 4.8979 7.6651 117.7815 57.4766 38.3681 174.9134 17 P 4.3854 0.0000 0.0000 65.1487 31.8653 175.4232 18 A 4.2711 7.4912 119.4714 51.2715 21.7398 174.6756 19 D 4.3740 8.3026 118.5395 54.6958 41.4817 177.0457 20 L 4.0323 8.6222 127.2911 57.9913 41.7089 179.3096 21 T 4.0308 7.6260 107.2095 63.8081 68.7947 175.3992 22 T 4.0936 8.0528 118.8291 65.1188 68.9189 174.7960 23 I 4.1393 7.4716 122.9879 59.3077 36.9734 174.0837 24 P 4.3643 0.0000 0.0000 63.2727 32.0009 175.8670 25 G 4.0040 8.7290 107.1571 43.2379 0.0000 172.0257 26 P 4.3613 0.0000 0.0000 62.5448 32.5996 175.2730 27 W 5.1440 8.7605 122.6618 55.0408 32.1702 175.0529 28 V 4.7996 9.5113 122.9497 61.1125 34.8346 174.4087 29 G 4.5886 8.7389 112.4869 44.3472 0.0000 170.8459 30 A 5.3565 8.8027 125.3839 49.9280 22.0526 175.7252 31 D 4.1648 9.6775 123.0433 55.1908 40.9845 177.7566 32 R 4.1649 8.9572 127.7937 60.2122 29.5738 177.9743 33 G 3.7392 8.4012 105.5356 47.7848 0.0000 175.5599 34 A 3.9344 8.0219 122.6616 54.9515 18.3790 179.7352 35 L 3.8625 7.8651 116.9981 58.0564 41.4575 179.8730 36 R 4.0673 8.1381 117.9516 58.8140 29.8839 179.1654 37 L 3.6907 7.7689 119.0659 57.5264 41.5342 179.5390 38 V 3.4536 7.7286 118.1308 66.0834 31.3305 178.1650 39 K 3.3723 8.1394 116.8036 58.8938 31.8931 178.3286 40 R 4.4066 7.2384 115.9985 55.2408 30.2609 176.9010 41 G 3.8206 8.5011 107.7329 45.9493 0.0000 173.4499 42 I 4.0405 7.5670 120.6057 59.6010 38.0135 175.2771 43 Q 4.2467 8.4490 126.8099 54.3627 29.0775 173.3355 44 P 4.7030 0.0000 0.0000 62.4057 32.4976 176.6445 45 V 4.0171 8.7334 116.0346 62.1235 32.7375 175.9138 *47 V 4.4221 7.6114 114.2000 61.2435 33.4142 174.4210 48 V 4.8185 9.6729 124.3357 60.8496 34.1945 175.5587 49 G 3.2923 7.5873 114.8290 43.2955 0.0000 171.4712 50 D 4.5644 7.5564 120.5653 52.5284 42.9174 175.5970 51 F 4.8018 8.2285 132.2289 58.1234 39.5529 177.8625 *61 T 4.3342 8.5311 116.4924 62.5896 70.8025 174.5238 62 V 3.6827 7.7404 123.4162 66.7233 31.6389 182.2929 63 K 4.1194 8.0361 123.1869 59.7541 31.8016 180.2670 64 D 4.6052 7.9931 117.7692 57.3720 41.0470 177.9942 65 A 4.1741 8.1106 120.7427 54.2716 18.3236 178.9303 66 L 4.0185 8.1344 117.3326 56.3377 41.5666 179.4048 67 V 3.5599 7.2635 117.8176 65.7394 31.5557 176.7666 68 G 4.0298 7.4171 106.8351 45.3121 0.0000 172.9634 69 A 4.6452 7.3745 120.9196 49.8010 22.2605 176.8655 70 I 4.0142 8.1430 122.0124 61.1153 37.6487 175.8357 71 V 4.3925 8.4055 127.9097 61.4818 32.8214 174.9516 72 V 4.4213 9.0509 131.1048 61.6518 33.4868 175.7200 73 K 4.8281 8.6919 131.2557 53.8491 32.8174 171.6279 74 P 4.4440 0.0000 0.0000 63.1834 32.1631 176.2861 75 D 5.2585 8.3845 123.0523 52.9212 41.8469 175.6403 76 Q 4.2582 8.8953 117.5529 58.3130 28.8199 173.2133 77 D 4.6656 7.9960 115.2463 54.0848 40.4809 177.6682 78 H 5.3499 8.3010 113.8732 54.4229 31.6519 174.6791 79 T 4.2586 8.8748 113.0977 61.5689 70.8639 175.6986 80 D 4.3832 8.5695 121.5897 57.6999 40.8441 179.3203 81 T 4.0165 7.8111 116.0420 66.6707 68.4919 176.6245 82 Q 3.8483 8.2310 120.1067 58.8142 28.7321 178.6363 83 L 3.9940 8.4337 121.5029 58.0393 42.0514 178.8481 84 A 4.0077 8.3982 121.0539 55.2010 18.4113 179.6472 85 I 3.5720 7.8909 118.2153 64.4541 37.2703 178.5576 86 K 3.8034 8.6393 120.6811 59.7162 31.9593 178.9993 87 S 4.1365 8.6397 115.7455 61.4389 62.7015 176.6751 88 I 3.5045 7.8910 122.8171 64.5116 36.5134 178.5742 89 F 4.0007 7.3880 118.2359 60.4549 38.3139 177.6947 90 E 4.1061 8.0135 117.4370 58.7596 29.4040 178.5190 91 Q 4.3123 8.1427 116.9264 58.0342 29.7115 177.6564 92 L 4.1328 7.8148 117.3396 54.5846 43.2337 176.7109 93 Q 3.4577 8.1011 116.6846 54.9811 26.5484 170.8634 94 P 4.6203 0.0000 0.0000 62.0152 33.3085 176.3482 95 D 4.7252 8.3952 117.9840 56.8550 41.3478 177.0353 96 E 5.1032 7.9481 115.6395 54.8537 34.8171 174.4422 97 V 4.5905 8.7473 121.0342 61.5354 34.7686 173.7903 98 H 5.1595 8.8516 125.3720 54.1170 30.9583 173.5349 99 L 4.8417 9.0364 127.0049 54.3180 43.2085 175.0370 100 Y 5.0055 9.4246 124.4265 56.7927 41.5652 176.6808 101 G 4.1220 9.0406 107.4697 46.6940 0.0000 174.8383 102 A 4.6195 8.3544 119.8250 51.3915 19.2811 177.3371 103 T 4.4879 7.5149 105.0564 60.1663 71.7238 174.2316 104 G 3.8453 8.6567 110.7072 45.1740 0.0000 175.5845 105 G 3.5884 8.3222 107.3753 46.2184 0.0000 176.1575 106 R 3.9339 8.4512 123.4827 56.3375 30.9021 177.2212 107 L 4.0319 8.5324 124.3303 57.5160 41.7519 179.1550 108 D 4.2210 7.9459 119.0171 56.6416 39.3852 178.3065 109 H 4.2177 7.9747 117.1519 58.3578 28.5984 177.1042 110 L 4.0435 7.3945 120.4895 58.4506 41.9979 178.8828 111 L 3.2631 7.6336 117.2058 57.2624 41.1534 179.0612 112 A 4.0772 7.6925 120.8360 54.9351 17.9710 179.3543 113 N 4.4139 7.8927 112.1942 53.8315 38.3569 176.5084 *115 W 5.1281 7.7762 118.6801 56.1753 30.9572 176.8030 116 L 3.8170 7.7029 122.7454 58.4071 41.5957 179.1725 117 V 4.0830 7.3845 108.9667 62.2947 31.6513 177.8794 118 L 4.0199 7.7895 121.0697 57.2430 41.9166 177.2999 119 D 4.4380 7.8940 118.1388 53.7733 41.3487 174.9794 120 P 4.3031 0.0000 0.0000 66.0494 31.3493 178.1680 121 V 3.5432 8.2790 115.9617 64.6950 31.7440 177.0276 122 F 4.5335 8.6890 116.1383 57.6327 39.7455 177.6341 123 R 4.3613 8.1725 120.2676 58.6941 29.6647 177.9811 124 Q 3.7639 7.6998 115.7519 58.2994 28.6015 177.0695 125 W 4.5019 7.6052 116.5118 56.1456 30.1011 177.5900 126 A 4.0402 8.2321 123.6141 55.0092 17.7568 178.5026 127 P 4.4131 0.0000 0.0000 64.6415 31.7318 177.1209 128 Q 4.7207 8.5330 116.4594 55.5352 29.9271 174.9501 129 I 5.2671 7.8565 119.8877 59.4306 40.2043 175.0604 130 K 4.8657 8.9129 126.8385 54.7612 35.9111 174.6584 131 L 4.9922 8.7715 127.0689 53.5791 43.7692 175.6898 132 I 5.1001 8.1733 123.3381 59.7803 40.2436 174.1524 133 D 4.9739 8.9824 125.1066 51.7268 42.9135 176.1872 134 K 4.2456 8.9738 117.5836 59.3828 32.5852 177.6957 135 Q 4.6088 7.9076 116.7847 55.5920 30.4030 174.4080 136 N 5.7877 9.1080 115.5141 51.4264 43.8510 173.4762 137 S 5.0230 8.6618 114.3063 56.6941 66.5903 172.9625 138 V 4.6812 9.0626 123.8272 61.0440 34.2341 174.4146 139 R 4.7835 8.4380 125.9690 54.2491 33.6378 174.6192 140 F 5.4346 8.2474 118.3591 55.8674 43.0054 174.2193 141 F 5.0099 9.7465 120.2314 55.8699 43.0746 174.1522 142 L 5.2695 8.8212 120.6909 52.4518 43.9047 174.4599 143 P 2.9700 0.0000 0.0000 61.9976 31.8742 177.0193 144 G 3.6296 6.3416 109.1415 45.7425 0.0000 169.8226 145 D 5.1057 7.4063 118.7520 52.6947 43.5533 175.4406 146 Y 4.7178 8.3670 119.2348 56.3266 43.1480 173.7578 147 Q 5.1163 8.6928 121.2633 54.4699 31.8475 174.1622 148 I 4.9423 9.1312 119.3629 59.5299 41.3745 174.2712 149 T 4.9648 8.3545 118.9581 61.2902 70.9425 174.2899 150 K 3.2843 8.1027 127.1623 56.1926 33.1952 176.1485 151 E 4.2247 9.4137 127.0282 55.1230 30.1448 177.0597 152 A 3.9310 8.8025 128.0038 55.3646 18.3316 177.6965 153 D 4.6251 7.9728 111.3707 53.5780 40.1730 176.1099 154 K 4.5947 8.1334 120.1793 55.2241 34.0353 176.0083 155 R 4.2824 8.3458 120.2490 57.1597 32.0503 176.1408 156 Y 5.1275 7.8755 115.6360 56.3250 40.9193 174.9084 157 L 5.2658 8.9908 123.1979 53.3717 45.8106 175.1177 158 A 5.0614 8.6493 126.2023 50.3569 23.1626 174.5931 159 F 4.6047 8.6535 119.1445 55.7255 41.8008 175.2003 160 V 4.8784 8.7394 123.4096 58.9918 33.3681 171.6769 161 P 4.5853 0.0000 0.0000 62.1888 32.1061 176.3891 162 L 4.3372 8.4819 124.5812 54.9048 41.9947 175.1646 *164 P 4.8487 0.0000 0.0000 62.6989 32.9974 175.8437 *166 H 4.7834 8.4264 118.2083 55.8995 30.5301 171.7796 167 L 5.3049 9.0543 126.2312 53.5308 44.7668 175.0826 168 T 4.9835 9.0611 122.3946 61.8739 72.0812 172.9509 169 L 4.9329 8.6305 126.7385 52.1915 42.8133 175.3738 170 P 4.4052 0.0000 0.0000 64.3688 31.8282 176.9504 171 D 4.8568 7.8876 117.6237 53.0418 39.8045 175.0556 172 E 4.4651 7.9939 118.3196 55.0130 32.0670 175.9533 173 K 3.7663 8.6238 121.5783 59.3133 32.0952 176.2914 174 Y 4.8102 7.9693 114.5706 56.1941 40.2996 175.4352 175 Q 4.8104 8.6993 121.3368 54.2012 32.7027 174.6506 176 L 4.4423 8.3076 118.6547 53.4615 46.3980 175.3819 177 D 4.9599 8.7508 123.1059 52.2387 41.6467 175.2807 178 A 3.7916 8.5995 131.8199 52.4742 17.2585 177.2540 179 A 4.2301 7.9651 121.9018 53.3580 19.6490 177.2747 180 Y 4.8509 8.6864 124.1163 56.1429 40.7129 174.2432 181 N 4.6567 7.6020 122.5143 50.8813 39.7748 174.6189 182 A 3.9642 7.8401 125.4516 52.4600 19.1716 175.3696 183 Y 4.6582 6.1435 112.2606 55.0551 40.7190 172.3930 184 P 4.5589 0.0000 0.0000 62.7312 31.4445 175.9561 185 I 4.4462 8.1450 122.3964 59.5032 41.9043 173.3554 186 S 4.5228 8.3216 122.9018 56.3987 63.3918 174.0902 187 W 4.6462 8.7064 130.4527 55.6373 27.3830 176.1120 188 A 4.1693 7.9796 124.7148 51.2787 19.7445 176.9299 189 S 3.6444 8.3657 111.5007 59.8821 60.2593 171.7985 190 N 5.2526 8.6967 122.4355 53.8974 41.6682 173.5488 191 E 5.1285 8.3116 114.6162 55.3701 34.1308 170.7583 192 F 4.5560 9.0057 119.7528 57.7915 40.1422 175.8760 193 S 4.5139 9.0631 119.1968 59.5938 63.1071 174.2450 194 G 3.8275 8.7204 114.9951 44.3329 0.0000 170.6558 195 N 4.6649 8.6564 115.6412 54.2357 40.3384 175.6578 196 T 5.2872 7.7517 106.7724 60.7068 72.5870 173.0064 197 G 4.3899 8.9449 106.5532 43.6774 0.0000 172.1945 198 H 6.0526 9.8363 119.3313 53.3084 32.0853 173.4855 199 F 5.0432 7.8659 111.6008 56.4854 40.6446 172.8115 200 S 5.4020 9.0994 115.1949 57.0910 66.2680 172.5706 201 F 6.2249 9.2728 119.8253 55.8507 41.3264 174.1152 202 D 4.9348 8.7894 118.3988 53.1037 40.2113 175.0063 203 A 4.4033 8.4777 120.6198 52.3199 22.4540 177.5342 204 G 3.8834 8.7893 106.9609 46.3267 0.0000 172.9420 205 V 4.9147 8.2269 119.1447 61.0913 35.4148 175.0474 206 L 5.0011 9.0309 128.9951 53.1485 44.5616 174.5271 207 A 5.0221 8.7685 127.8555 50.1924 21.7385 175.4775 208 V 4.3798 8.6206 122.4488 60.9751 34.3016 174.2511 209 I 4.8899 8.4718 129.1011 59.6051 40.0874 174.4234 210 Q 5.1859 8.6062 126.1741 54.2669 31.0564 175.0795 211 S 6.0559 9.2822 117.7774 55.7030 67.3296 172.4812 212 R 5.0554 8.3648 115.1650 54.8709 32.8010 174.9631 213 D 4.6041 8.6704 117.9899 54.6819 41.0647 176.7567 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 3 T 8.03 4.40 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 4 I 8.10 4.69 1.72 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.63 0.55 0.00 0.00 5 V 9.20 4.25 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 0.78 0.00 0.00 0.75 0.00 0.00 6 N 8.82 5.01 0.00 1.44 1.42 0.00 0.00 6.11 7.12 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 7 L 8.86 5.23 0.00 1.69 1.50 1.03 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 8 L 9.52 5.32 0.00 1.91 1.58 0.83 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.43 4.51 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 0.75 0.00 0.00 1.11 0.00 0.00 10 G 8.56 3.98 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 0.00 0.00 0.00 11 G 8.15 3.90 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 0.00 12 P 0.00 4.23 0.00 2.14 2.15 0.00 3.85 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 13 T 8.17 2.48 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 1.00 0.00 0.00 14 A 7.71 3.86 1.23 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 0.00 0.00 0.00 15 N 7.72 4.76 0.00 2.99 2.92 0.00 0.00 6.83 7.27 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 16 Y 7.67 4.90 0.00 2.95 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 17 P 0.00 4.39 0.00 2.32 2.39 0.00 4.10 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 18 A 7.49 4.27 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 19 D 8.30 4.37 0.00 2.77 2.59 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 0.00 0.00 0.00 20 L 8.62 4.03 0.00 1.32 0.90 -0.00 0.07 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 21 T 7.63 4.03 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 22 T 8.05 4.09 4.52 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 1.23 0.00 0.00 23 I 7.47 4.14 2.19 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.51 0.78 0.00 0.00 24 P 0.00 4.36 0.00 2.15 2.05 0.00 3.75 0.00 0.00 3.86 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 25 G 8.73 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 26 P 0.00 4.36 0.00 1.97 1.93 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 27 W 8.76 5.14 0.00 3.22 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 28 V 9.51 4.80 2.19 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 0.86 0.00 0.00 0.89 0.00 0.00 29 G 8.74 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.80 5.36 1.29 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 0.00 0.00 0.00 31 D 9.68 4.16 0.00 2.86 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 0.00 0.00 0.00 32 R 8.96 4.16 0.00 1.90 2.04 0.00 3.17 0.00 0.00 3.37 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 33 G 8.40 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 0.00 0.00 0.00 34 A 8.02 3.93 1.15 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 35 L 7.87 3.86 0.00 1.86 1.73 1.00 0.98 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 36 R 8.14 4.07 0.00 1.99 1.99 0.00 3.21 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 37 L 7.77 3.69 0.00 1.73 1.50 0.97 -0.40 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 38 V 7.73 3.45 2.13 0.00 0.00 0.00 0.00 0.00 0.00 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4.11 0.00 2.02 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 2.55 2.64 0.00 91 Q 8.14 4.31 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 92 L 7.81 4.13 0.00 1.63 1.62 0.83 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.10 3.46 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.60 2.24 0.00 94 P 0.00 4.62 0.00 2.19 1.91 0.00 3.50 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 95 D 8.40 4.73 0.00 2.77 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 96 E 7.95 5.10 0.00 1.81 1.78 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 2.37 2.35 0.00 97 V 8.75 4.59 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.05 0.00 0.00 98 H 8.85 5.16 0.00 3.27 2.91 0.00 5.67 0.00 0.00 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1.84 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.68 0.00 0.00 0.00 0.00 0.00 1.16 1.46 0.00 125 W 7.61 4.50 0.00 3.51 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 0.00 126 A 8.23 4.04 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 0.00 127 P 0.00 4.41 0.00 2.10 2.16 0.00 3.80 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 128 Q 8.53 4.72 0.00 2.20 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 129 I 7.86 5.27 2.05 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.09 1.07 0.00 0.00 130 K 8.91 4.87 0.00 1.77 1.51 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.68 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.13 1.50 7.81 131 L 8.77 4.99 0.00 1.61 1.54 1.01 0.81 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 0.00 132 I 8.17 5.10 1.12 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.23 0.87 0.00 0.00 133 D 8.98 4.97 0.00 2.95 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 8.97 4.25 0.00 1.95 2.26 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.49 1.46 7.81 135 Q 7.91 4.61 0.00 2.33 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 136 N 9.11 5.79 0.00 2.63 2.62 0.00 0.00 6.36 7.43 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 0.00 137 S 8.66 5.02 0.00 3.79 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 0.00 138 V 9.06 4.68 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 0.55 0.00 0.00 0.85 0.00 0.00 139 R 8.44 4.78 0.00 1.77 1.44 0.00 3.15 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 140 F 8.25 5.43 0.00 3.19 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 0.00 141 F 9.75 5.01 0.00 3.15 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 0.00 142 L 8.82 5.27 0.00 1.70 1.72 1.06 1.07 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 0.00 143 P 0.00 2.97 0.00 1.82 1.70 0.00 3.87 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.19 0.00 144 G 6.34 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 D 7.41 5.11 0.00 2.25 2.35 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 0.00 146 Y 8.37 4.72 0.00 1.43 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 0.00 0.00 0.00 0.00 147 Q 8.69 5.12 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 148 I 9.13 4.94 2.18 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.14 1.29 0.00 0.00 149 T 8.35 4.96 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 1.16 0.00 0.00 150 K 8.10 3.28 0.00 0.79 1.34 0.00 1.71 0.00 0.00 1.55 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.22 1.16 7.81 151 E 9.41 4.22 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 152 A 8.80 3.93 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 0.00 153 D 7.97 4.63 0.00 2.80 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 0.00 154 K 8.13 4.59 0.00 1.81 1.90 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.22 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.39 1.55 7.81 155 R 8.35 4.28 0.00 0.98 0.90 0.00 3.06 0.00 0.00 2.98 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.44 0.00 156 Y 7.88 5.13 0.00 2.96 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.99 5.27 0.00 1.61 1.37 0.43 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.65 5.06 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 0.00 159 F 8.65 4.60 0.00 3.06 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 0.00 160 V 8.74 4.88 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 1.28 0.00 0.00 0.92 0.00 0.00 161 P 0.00 4.59 0.00 2.21 1.96 0.00 3.98 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.17 0.00 162 L 8.48 4.34 0.00 1.63 1.58 1.20 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 *164 P 0.00 4.85 0.00 1.99 1.89 0.00 3.75 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.85 0.00 *166 H 8.43 4.78 0.00 3.40 3.39 0.00 5.77 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 L 9.05 5.30 0.00 1.70 1.43 0.82 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 168 T 9.06 4.98 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 1.21 0.00 0.00 169 L 8.63 4.93 0.00 1.34 1.45 0.38 -1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 170 P 0.00 4.41 0.00 2.16 2.15 0.00 3.90 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 2.01 1.95 0.00 171 D 7.89 4.86 0.00 2.87 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 0.00 172 E 7.99 4.47 0.00 2.07 2.19 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 2.35 2.24 0.00 173 K 8.62 3.77 0.00 1.57 1.84 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.30 1.04 7.81 174 Y 7.97 4.81 0.00 2.92 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 0.00 175 Q 8.70 4.81 0.00 1.84 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 176 L 8.31 4.44 0.00 1.28 1.32 -0.05 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 177 D 8.75 4.96 0.00 2.61 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 0.00 178 A 8.60 3.79 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 0.00 179 A 7.97 4.23 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 0.00 180 Y 8.69 4.85 0.00 2.81 2.85 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 0.00 181 N 7.60 4.66 0.00 2.58 2.78 0.00 0.00 6.12 7.73 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 0.00 182 A 7.84 3.96 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 0.00 183 Y 6.14 4.66 0.00 2.83 2.89 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 0.00 184 P 0.00 4.56 0.00 1.86 1.87 0.00 3.75 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 1.81 1.92 0.00 185 I 8.14 4.45 1.65 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.80 0.74 0.00 0.00 186 S 8.32 4.52 0.00 3.85 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 0.00 187 W 8.71 4.65 0.00 3.57 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 0.00 188 A 7.98 4.17 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 0.00 189 S 8.37 3.64 0.00 4.01 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 0.00 190 N 8.70 5.25 0.00 2.89 2.95 0.00 0.00 7.17 7.51 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 0.00 191 E 8.31 5.13 0.00 1.65 1.73 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 2.22 1.90 0.00 192 F 9.01 4.56 0.00 2.89 3.16 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 0.00 193 S 9.06 4.51 0.00 3.99 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 0.00 194 G 8.72 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 N 8.66 4.66 0.00 2.81 2.76 0.00 0.00 6.44 7.22 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 0.00 196 T 7.75 5.29 4.28 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 1.22 0.00 0.00 197 G 8.94 4.39 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 0.00 198 H 9.84 6.05 0.00 2.99 3.17 0.00 5.66 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 F 7.87 5.04 0.00 2.86 2.87 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 0.00 200 S 9.10 5.40 0.00 3.87 3.71 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 0.00 201 F 9.27 6.22 0.00 3.25 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 0.00 202 D 8.79 4.93 0.00 2.71 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 0.00 203 A 8.48 4.40 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 0.00 204 G 8.79 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 0.00 0.00 0.00 205 V 8.23 4.91 2.19 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 1.23 0.00 0.00 1.04 0.00 0.00 206 L 9.03 5.00 0.00 0.73 0.90 0.73 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 207 A 8.77 5.02 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 0.00 208 V 8.62 4.38 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 0.52 0.00 0.00 0.47 0.00 0.00 209 I 8.47 4.89 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.42 0.87 0.00 0.00 210 Q 8.61 5.19 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 211 S 9.28 6.06 0.00 3.99 4.18 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 0.00 212 R 8.36 5.06 0.00 1.80 2.03 0.00 3.21 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 213 D 8.67 4.60 0.00 2.78 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 * Residues marked with a * may have inaccurate shift predictions.