NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4064 8.3344 115.4111 57.7290 64.5801 172.7897 4 Q 3.7951 8.2953 123.5274 55.5523 30.2122 173.4758 5 K 4.5949 9.2144 127.3819 56.3892 33.9514 175.0171 6 Y 5.2329 9.2615 122.3149 56.0956 41.8719 174.5914 7 L 5.1867 8.8651 122.2834 53.1669 44.8672 175.5915 8 F 4.9821 9.7142 124.2127 56.2830 40.4611 174.9184 9 I 5.0410 8.9299 125.9357 59.0783 39.5498 175.4111 10 D 4.9519 8.9522 127.2837 54.3488 41.5807 175.3273 11 R 4.1118 8.7431 122.6210 58.3210 31.0102 175.4046 12 D 4.6138 7.8005 118.7928 55.4374 41.3107 177.0834 13 G 4.1480 9.5123 112.8856 46.9630 0.0000 172.7993 14 T 3.8515 7.4766 113.3375 64.8183 71.2595 176.1062 15 L 4.1934 8.4979 121.1461 56.6164 42.4182 176.8265 16 I 4.9531 7.1532 109.8179 58.5109 41.3826 175.0949 17 S 4.7441 9.0121 119.2594 58.1823 63.5332 173.7133 18 E 4.4898 8.6124 124.4225 53.8809 30.7251 174.2889 19 P 4.4969 0.0000 0.0000 62.9483 30.6353 177.6740 *22 D 4.3739 9.0542 125.0302 52.8533 40.5660 175.0540 23 F 3.9177 7.3466 115.0357 58.5644 37.1572 174.8163 24 Q 4.2825 7.7606 118.3900 54.1720 31.3375 176.6469 25 V 3.9795 8.3360 124.2124 61.4909 29.9612 174.5782 26 D 5.3313 7.9823 118.1106 51.5669 40.4475 177.0331 27 R 4.6426 7.3640 117.7935 54.5910 34.4926 175.8751 28 F 4.2239 8.8630 120.1348 60.8933 39.0293 176.8936 29 D 4.6507 8.2428 116.4683 54.4423 39.2482 176.5386 30 K 4.3485 7.8456 118.7164 56.3686 32.8979 176.1660 31 L 4.2601 7.7769 122.1918 54.4693 42.8352 175.7280 32 A 4.8348 8.2526 126.1955 50.8549 22.6074 175.1809 33 F 4.5919 9.0676 121.0950 56.8982 39.9860 175.6057 34 E 4.4389 8.9192 121.7102 55.4435 30.7969 174.9750 35 P 4.4131 0.0000 0.0000 64.1397 32.0311 177.1973 36 G 4.0805 9.1551 110.3652 46.0401 0.0000 175.4155 37 V 2.6550 7.6013 121.3829 64.7154 31.0174 178.4066 38 I 3.8144 7.7081 120.0991 63.5333 37.1951 176.3101 39 P 4.2384 0.0000 0.0000 66.2444 31.0174 178.3607 40 Q 4.0397 8.1599 117.6423 58.6630 28.6150 178.4500 41 L 3.8433 7.7396 120.0333 57.4955 41.5308 179.5190 42 L 3.9147 8.0227 119.1289 57.6063 41.5811 179.3710 43 K 3.9197 8.1132 119.4705 59.6462 32.1345 178.8468 44 L 4.1472 8.3268 119.5986 57.8453 41.5163 179.4864 45 Q 4.2933 8.3355 119.7786 58.5037 28.4349 179.0845 46 K 4.0377 7.9578 118.1675 59.0537 32.1551 178.4581 47 A 4.3240 7.7196 118.5041 52.5205 18.4695 177.9999 48 G 3.7691 7.9111 106.0834 45.0444 0.0000 173.2743 49 Y 4.4421 7.9214 118.0452 57.3728 39.2638 174.8257 50 K 4.4887 8.6831 123.1010 55.1119 34.7102 175.3909 51 L 5.1277 8.3013 122.8464 53.0303 44.7826 175.5572 52 V 4.8816 8.6514 122.4857 61.4538 34.9939 173.7096 53 M 4.8480 8.9844 128.0905 54.6694 34.2607 174.6953 54 I 5.1129 8.7681 125.4653 59.8476 41.6783 173.5581 55 T 4.8944 9.0330 123.6369 60.5998 71.2657 172.0164 56 N 5.0115 8.8410 125.7191 52.5301 39.9197 175.1567 57 Q 4.6236 9.2202 124.8138 53.2638 29.5915 173.0885 58 D 4.7769 8.0431 120.7878 54.9883 41.0203 176.8803 59 G 3.8741 8.7698 112.5337 46.0387 0.0000 172.3792 60 L 3.8169 7.6202 122.1484 56.3668 42.0536 177.0741 61 G 3.8368 9.4425 115.4107 45.6951 0.0000 172.2903 62 T 4.6925 7.4376 108.5548 58.6998 71.9668 174.3258 63 Q 3.9752 8.9353 122.0614 59.6473 28.7218 178.3002 64 S 4.3864 7.5672 111.4166 60.8661 63.5712 174.9400 65 F 5.4082 8.1552 122.1207 56.4079 40.6601 171.2774 66 P 4.5667 0.0000 0.0000 61.9198 32.5542 177.4318 67 Q 3.7687 8.7716 121.8318 59.4660 28.3835 178.8597 68 A 3.9922 7.9644 121.1036 55.3644 17.9159 179.2102 69 D 4.3322 8.0683 116.9487 57.3315 40.8549 178.7828 70 F 4.2256 7.9922 120.8657 61.2019 39.4660 176.9468 71 D 4.4194 8.4189 118.9962 57.3872 40.6182 178.5856 72 G 3.4256 7.5994 105.5559 47.4348 0.0000 173.8303 73 P 4.2172 0.0000 0.0000 64.8689 31.3410 178.3596 74 H 3.8558 7.6942 116.9305 59.3130 29.6534 177.1149 75 N 4.2995 8.4830 118.6931 56.0798 38.3206 177.1804 76 L 3.9703 8.0850 121.7412 58.3796 42.2239 178.4459 77 M 4.2211 8.4070 118.5435 59.2470 32.0584 178.0859 78 M 4.2562 8.3339 118.8177 58.4032 32.0707 178.2699 79 Q 4.0079 8.3947 119.9752 59.4148 29.0029 178.7119 80 I 3.5875 7.8850 120.3981 64.4050 37.1577 178.2727 81 F 4.4813 8.3409 118.4997 61.2523 38.8476 178.0278 82 T 4.2448 8.8527 117.1729 66.1608 68.0559 177.0422 83 S 4.2440 8.4304 115.4376 60.8088 63.0649 175.5128 84 Q 4.4135 7.5841 119.4310 55.5350 28.9482 176.3109 85 G 3.9135 7.9950 108.9815 44.9267 0.0000 173.6550 86 V 3.8059 8.0219 120.9591 61.8055 31.9619 174.7565 87 Q 4.7173 8.2111 125.7985 53.9539 31.3858 174.6797 88 F 4.8201 8.5561 121.0262 55.7067 40.6282 175.5066 89 D 4.7196 9.2747 126.8166 57.3716 41.3066 176.6893 90 E 4.8525 8.2350 115.2569 54.8607 34.6241 174.7325 91 V 4.6662 8.4702 121.5407 61.4084 33.6960 174.5513 92 L 4.7316 9.0677 129.4642 53.2259 43.5217 175.8146 93 I 4.8741 8.2989 124.3131 59.5275 40.4640 174.3631 94 C 4.5534 8.9241 128.0740 57.4270 32.9656 171.7408 95 P 4.7668 0.0000 0.0000 63.1932 32.3753 175.6072 96 H 4.8497 7.7928 118.1402 55.2476 30.0200 174.5128 97 L 4.4840 8.6359 121.4868 53.7033 42.6546 176.5805 98 P 4.2165 0.0000 0.0000 65.9913 31.0403 178.8702 99 A 4.0830 7.9563 117.4308 54.8562 18.3215 178.8700 100 D 4.3104 8.0454 116.8492 55.0776 41.8132 176.1523 101 E 3.7002 8.0230 118.3867 57.2967 27.4228 173.4657 102 C 4.4147 7.5021 112.2950 57.5913 31.4000 173.5770 103 D 4.5288 8.4272 118.5417 55.6878 40.6962 177.2107 104 C 4.5133 7.7770 111.6995 57.6863 31.0021 173.7070 105 R 4.1526 7.7825 122.6540 55.6813 30.0432 175.4644 106 K 4.1364 8.9406 124.8454 56.9486 32.4383 174.5079 107 P 4.6743 0.0000 0.0000 62.5241 31.5635 176.2844 108 K 4.0607 7.8463 118.3725 57.2944 32.4980 177.5828 109 V 4.1144 8.0739 119.1060 62.5470 31.7187 177.3196 110 K 3.9459 7.9256 119.4378 60.5742 31.7392 178.3051 111 L 4.1042 7.9908 116.8440 56.9193 41.7778 178.5497 112 V 4.4859 7.5650 116.2164 62.5948 31.6249 176.6062 113 E 3.9286 8.0574 119.4927 59.8491 29.0975 179.2178 114 R 3.8126 7.9552 117.0398 59.5767 30.2118 177.1813 115 Y 4.1404 7.8003 114.2266 60.2951 38.2952 176.7424 116 L 4.3085 7.5624 122.1827 53.0838 40.1453 175.5879 *121 M 4.5183 7.5097 117.0877 54.8294 32.9906 176.7950 122 D 4.6266 8.8102 120.5630 53.5449 39.9256 176.9433 123 R 3.9786 8.5351 125.2759 58.8004 30.5057 179.3038 124 A 3.9765 8.1678 119.4218 54.5345 18.4829 177.4538 125 N 5.1548 8.2033 110.5446 53.1336 39.9549 174.8223 126 S 5.4235 7.9595 115.7634 57.3630 66.0487 172.8560 127 Y 5.1100 9.1639 119.0113 56.4691 42.6882 174.3519 128 V 4.7907 8.9428 122.9293 61.9997 33.5878 174.6433 129 I 5.0045 8.8558 128.9328 59.8346 39.8157 174.8634 130 G 4.6029 8.8282 113.1499 45.2825 0.0000 173.0818 131 D 5.3274 8.7947 117.6329 52.5807 40.5625 176.2509 132 R 4.7945 8.1311 119.2909 53.9824 33.0490 176.5140 133 A 4.0334 8.6584 122.0170 55.9079 18.1357 180.3801 134 T 3.8287 7.8647 107.4730 64.8368 68.9786 176.4967 135 D 4.3539 8.0255 122.1198 57.3056 40.8442 178.6982 136 I 3.7721 7.6760 119.9530 64.2968 37.1175 178.0582 137 Q 3.9517 8.3426 120.7085 58.9735 28.7854 177.9080 138 L 4.0214 8.1166 121.2410 58.1229 42.0790 178.8370 139 A 3.9116 7.8653 120.2142 55.1622 18.3949 179.0797 140 E 3.8616 8.1468 117.7446 59.7343 29.4720 178.9044 141 N 4.3748 8.2807 115.5005 56.3157 38.6721 176.7243 142 M 4.2405 8.1916 118.4323 55.1991 32.2954 176.6808 143 G 3.8271 7.7298 106.7695 46.4430 0.0000 172.8348 144 I 4.6717 7.4289 112.1262 58.1842 41.0655 174.5122 145 N 4.5690 8.3020 119.3187 53.1886 39.5756 174.8650 146 G 4.4904 8.6203 107.9626 44.4375 0.0000 171.9409 147 L 4.7820 9.1798 124.5597 52.8381 44.5729 175.9083 148 R 4.5216 8.6404 125.3352 54.9165 29.7260 174.5480 149 Y 4.1185 8.6310 127.8774 57.6746 40.2748 174.6831 150 D 4.4125 7.9269 125.3264 52.2397 44.2178 175.6533 151 R 3.6136 8.4864 127.1852 59.1741 30.3197 176.8470 152 E 4.1791 8.3609 117.6973 57.8966 29.9372 176.8096 153 T 4.4281 7.6580 105.4912 61.8244 70.8682 174.6610 154 L 4.3927 7.6550 123.6639 52.8576 43.6056 173.2631 155 N 4.8635 7.4976 121.4740 50.1731 41.6245 175.1721 156 W 4.4120 8.6916 118.8299 59.9795 29.1663 176.5884 157 P 4.4266 0.0000 0.0000 66.0172 30.6669 178.5907 158 M 4.0886 8.2165 116.9069 58.4088 31.8592 178.9009 159 I 3.7089 8.0927 120.3260 64.1512 37.0252 178.6524 160 G 4.0267 8.3864 107.2420 47.2445 0.0000 175.0174 161 E 4.0989 8.2232 122.0753 58.9192 29.4890 178.5686 162 Q 3.9896 8.0154 118.3437 59.1065 29.2794 177.5713 163 L 4.4151 7.7614 116.4998 55.1095 41.9397 176.9807 164 T 4.2981 7.5134 114.4833 61.7232 68.8002 173.7777 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 S 8.33 4.41 0.00 4.04 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 4 Q 8.30 3.80 0.00 2.18 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.11 0.00 0.00 0.00 0.00 0.00 1.77 1.38 0.00 5 K 9.21 4.59 0.00 1.36 1.57 0.00 1.07 0.00 0.00 1.60 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.27 7.81 6 Y 9.26 5.23 0.00 2.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.87 5.19 0.00 1.53 1.58 0.65 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 8 F 9.71 4.98 0.00 2.94 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 9 I 8.93 5.04 2.03 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.02 1.17 0.00 0.00 10 D 8.95 4.95 0.00 2.69 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.74 4.11 0.00 1.87 1.84 0.00 3.27 0.00 0.00 3.43 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 12 D 7.80 4.61 0.00 2.76 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 13 G 9.51 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 14 T 7.48 3.85 4.32 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 1.11 0.00 0.00 15 L 8.50 4.19 0.00 1.77 1.76 0.66 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.15 4.95 1.91 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 1.41 0.96 0.42 0.00 0.00 17 S 9.01 4.74 0.00 3.77 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 18 E 8.61 4.49 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 19 P 0.00 4.50 0.00 2.09 1.16 0.00 3.68 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 2.13 2.05 0.00 *22 D 9.05 4.37 0.00 2.75 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 7.35 3.92 0.00 3.19 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 24 Q 7.76 4.28 0.00 1.56 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.27 0.00 0.00 0.00 0.00 0.00 1.80 2.23 0.00 25 V 8.34 3.98 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 0.81 0.00 0.00 0.96 0.00 0.00 26 D 7.98 5.33 0.00 2.98 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.36 4.64 0.00 1.88 1.89 0.00 3.15 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 28 F 8.86 4.22 0.00 3.12 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 29 D 8.24 4.65 0.00 2.80 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 30 K 7.85 4.35 0.00 1.91 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.35 7.81 31 L 7.78 4.26 0.00 1.67 1.85 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.25 4.83 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 33 F 9.07 4.59 0.00 2.77 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 34 E 8.92 4.44 0.00 2.24 2.25 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 2.31 2.59 0.00 35 P 0.00 4.41 0.00 2.21 2.11 0.00 4.04 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 2.15 2.21 0.00 36 G 9.16 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.60 2.65 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 1.05 0.00 0.00 0.25 0.00 0.00 38 I 7.71 3.81 1.88 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.68 0.94 0.00 0.00 39 P 0.00 4.24 0.00 2.27 2.33 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.09 0.00 40 Q 8.16 4.04 0.00 2.19 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.69 2.86 0.00 41 L 7.74 3.84 0.00 1.53 1.41 0.44 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 0.00 0.00 0.00 0.00 42 L 8.02 3.91 0.00 1.85 1.70 0.98 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.11 3.92 0.00 1.95 2.04 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.51 7.81 44 L 8.33 4.15 0.00 1.78 1.64 0.96 0.51 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 45 Q 8.34 4.29 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 46 K 7.96 4.04 0.00 1.92 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.72 7.81 47 A 7.72 4.32 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.91 3.77 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 49 Y 7.92 4.44 0.00 3.04 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 50 K 8.68 4.49 0.00 1.25 1.88 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.19 1.40 7.81 51 L 8.30 5.13 0.00 1.28 1.32 0.35 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.65 4.88 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 0.98 0.00 0.00 0.67 0.00 0.00 53 M 8.98 4.85 0.00 1.91 1.14 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 54 I 8.77 5.11 1.94 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 1.12 1.29 0.99 0.00 0.00 55 T 9.03 4.89 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 1.24 0.00 0.00 56 N 8.84 5.01 0.00 2.64 2.74 0.00 0.00 6.85 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 57 Q 9.22 4.62 0.00 1.71 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 58 D 8.04 4.78 0.00 2.67 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 59 G 8.77 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 60 L 7.62 3.82 0.00 1.40 1.32 -0.10 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 61 G 9.44 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.44 4.69 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 1.22 0.00 0.00 63 Q 8.94 3.98 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.14 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 64 S 7.57 4.39 0.00 4.08 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 65 F 8.16 5.41 0.00 2.95 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 66 P 0.00 4.57 0.00 2.24 1.97 0.00 3.98 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 67 Q 8.77 3.77 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.67 0.00 68 A 7.96 3.99 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 69 D 8.07 4.33 0.00 3.16 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 70 F 7.99 4.23 0.00 2.31 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 71 D 8.42 4.42 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.60 3.43 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 0.00 0.00 0.00 73 P 0.00 4.22 0.00 1.95 1.98 0.00 3.39 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.45 0.00 74 H 7.69 3.86 0.00 2.08 2.76 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.48 4.30 0.00 2.84 2.89 0.00 0.00 6.73 6.70 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 76 L 8.08 3.97 0.00 2.09 2.00 0.92 0.78 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 77 M 8.41 4.22 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.69 0.00 78 M 8.33 4.26 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 79 Q 8.39 4.01 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 80 I 7.88 3.59 1.89 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.53 0.27 0.00 0.00 81 F 8.34 4.48 0.00 3.43 3.33 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 82 T 8.85 4.24 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 1.26 0.00 0.00 83 S 8.43 4.24 0.00 3.98 4.04 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 84 Q 7.58 4.41 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.52 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 85 G 8.00 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 0.00 0.00 0.00 86 V 8.02 3.81 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.98 0.00 0.00 87 Q 8.21 4.72 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.50 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 88 F 8.56 4.82 0.00 3.03 3.13 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 0.00 0.00 0.00 0.00 89 D 9.27 4.72 0.00 2.78 2.91 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 90 E 8.24 4.85 0.00 2.04 1.89 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 2.39 2.45 0.00 91 V 8.47 4.67 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 0.85 0.00 0.00 0.90 0.00 0.00 92 L 9.07 4.73 0.00 1.69 1.60 1.11 0.73 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 101 E 8.02 3.70 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 102 C 7.50 4.41 0.00 2.88 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 0.00 103 D 8.43 4.53 0.00 2.67 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 0.00 104 C 7.78 4.51 0.00 3.06 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.78 4.15 0.00 1.87 1.85 0.00 3.20 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 1.68 1.77 0.00 106 K 8.94 4.14 0.00 1.77 1.75 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.58 7.81 107 P 0.00 4.67 0.00 2.15 2.32 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 108 K 7.85 4.06 0.00 1.92 1.85 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.36 7.81 109 V 8.07 4.11 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 0.97 0.00 0.00 0.87 0.00 0.00 110 K 7.93 3.95 0.00 1.95 1.83 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.54 7.81 111 L 7.99 4.10 0.00 1.66 1.76 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.57 4.49 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 0.69 0.00 0.00 0.76 0.00 0.00 113 E 8.06 3.93 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 114 R 7.96 3.81 0.00 1.65 1.76 0.00 2.62 0.00 0.00 2.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.40 0.00 115 Y 7.80 4.14 0.00 3.07 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 0.00 116 L 7.56 4.31 0.00 1.80 1.63 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 *121 M 7.51 4.52 0.00 2.77 2.66 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 3.03 0.00 122 D 8.81 4.63 0.00 2.76 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 0.00 123 R 8.54 3.98 0.00 1.93 1.98 0.00 3.20 0.00 0.00 3.48 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 124 A 8.17 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 N 8.20 5.15 0.00 2.81 2.91 0.00 0.00 6.89 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 7.96 5.42 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 0.00 127 Y 9.16 5.11 0.00 2.83 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 0.00 128 V 8.94 4.79 2.15 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 1.08 0.00 0.00 0.96 0.00 0.00 129 I 8.86 5.00 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.75 0.65 0.00 0.00 130 G 8.83 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.79 5.33 0.00 2.96 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 0.00 132 R 8.13 4.79 0.00 2.02 1.83 0.00 3.14 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 133 A 8.66 4.03 1.31 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 0.00 0.00 0.00 134 T 7.86 3.83 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 1.19 0.00 0.00 135 D 8.03 4.35 0.00 2.92 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 0.00 136 I 7.68 3.77 2.00 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 1.70 1.07 0.92 0.00 0.00 137 Q 8.34 3.95 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 138 L 8.12 4.02 0.00 1.85 1.85 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.87 3.91 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.15 3.86 0.00 2.05 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 0.00 2.29 2.35 0.00 141 N 8.28 4.37 0.00 2.80 2.83 0.00 0.00 7.13 7.30 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 0.00 142 M 8.19 4.24 0.00 1.81 1.98 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.34 0.00 143 G 7.73 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 0.00 144 I 7.43 4.67 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.77 1.03 0.00 0.00 145 N 8.30 4.57 0.00 1.95 2.66 0.00 0.00 7.10 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 0.00 146 G 8.62 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.18 4.78 0.00 1.52 1.50 0.62 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 148 R 8.64 4.52 0.00 1.80 1.85 0.00 3.31 0.00 0.00 3.15 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 149 Y 8.63 4.12 0.00 2.88 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 0.00 150 D 7.93 4.41 0.00 2.54 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 0.00 0.00 0.00 0.00 151 R 8.49 3.61 0.00 1.96 1.95 0.00 3.33 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 152 E 8.36 4.18 0.00 1.94 2.05 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 2.24 2.21 0.00 153 T 7.66 4.43 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 1.15 0.00 0.00 154 L 7.66 4.39 0.00 1.58 1.44 0.84 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.50 4.86 0.00 3.01 2.92 0.00 0.00 6.12 8.88 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 0.00 156 W 8.69 4.41 0.00 3.78 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 0.00 157 P 0.00 4.43 0.00 2.21 2.17 0.00 3.96 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 2.20 2.30 0.00 158 M 8.22 4.09 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.56 0.00 159 I 8.09 3.71 2.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.63 0.82 0.00 0.00 160 G 8.39 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 0.00 0.00 0.00 161 E 8.22 4.10 0.00 2.16 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 0.00 2.32 2.33 0.00 162 Q 8.02 3.99 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 163 L 7.76 4.42 0.00 1.58 1.49 0.52 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 164 T 7.51 4.30 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 1.33 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.