NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 3.8726 8.1727 120.0269 56.0490 33.4565 173.6740 3 L 4.6880 8.1710 127.5949 53.0559 43.4197 173.9378 4 I 4.9124 9.6520 126.7854 59.3060 42.1267 173.2332 5 I 5.0554 8.7618 129.3971 59.5128 39.9206 174.4081 6 L 5.1920 8.9356 126.8438 52.7003 44.5775 175.9830 7 D 4.9377 8.9887 123.3425 54.2355 41.9134 174.6349 8 R 4.2694 8.7595 120.7686 57.8334 31.1525 175.4445 9 D 4.6491 7.8129 118.4109 55.8403 41.5584 177.2991 10 G 3.9674 9.5057 113.1495 45.3751 0.0000 173.4480 11 V 4.1399 7.5409 115.7982 64.3471 33.7177 176.3663 12 V 3.9210 8.4260 119.3220 64.2909 32.1406 174.9036 13 N 5.1064 7.4190 115.0963 50.0907 40.8727 173.5337 14 Q 4.1445 8.5103 119.0926 56.5151 29.0429 176.7476 15 D 4.5804 8.5659 123.3173 54.3002 42.6927 175.3732 16 S 4.5609 8.1840 116.5443 56.6230 65.3701 174.7574 17 D 4.2524 8.8526 127.0426 56.6577 40.7380 176.8185 18 A 4.5581 7.9655 120.2557 51.3320 19.2891 176.4070 19 F 3.9760 7.6990 115.1279 57.5879 39.0030 175.3519 20 V 4.1259 8.4072 122.9901 62.0116 30.6504 175.6350 21 K 4.4152 9.1255 126.5941 56.0231 33.3085 176.3853 22 S 4.5485 7.4618 112.3286 56.4089 65.7497 173.5470 23 P 4.2309 0.0000 0.0000 65.9585 31.2191 178.7803 24 D 4.4629 8.0679 116.7183 57.0880 40.8580 177.0197 25 E 4.1201 8.2878 116.9239 56.8022 29.8166 176.2765 26 W 4.4254 7.8063 129.4436 56.0957 30.4663 175.0702 27 I 4.4458 7.4251 126.6062 58.7897 39.7546 175.1724 28 A 3.8308 8.1981 129.1356 51.7091 19.0845 177.0743 29 L 4.0876 8.4661 122.0816 53.5490 43.1620 175.2469 30 P 4.2813 0.0000 0.0000 64.4653 31.8238 177.0722 31 G 4.0360 8.9474 110.8859 46.3251 0.0000 175.7537 32 S 4.0713 7.9616 116.2898 61.6392 62.7824 176.5267 33 L 4.0499 7.8146 121.2731 57.6851 41.3920 179.0664 34 Q 3.9337 8.0857 118.9149 59.0263 29.0319 177.9418 35 A 3.9146 8.0915 121.7778 55.4086 18.3352 179.7190 36 I 3.6069 7.7659 117.9879 64.3493 37.0732 178.5747 37 A 3.9906 8.1813 121.7178 55.0849 18.1393 179.8319 38 R 3.8507 8.3000 116.9496 59.4502 30.0936 179.3327 39 L 3.8803 7.8924 118.5696 58.0310 41.5967 179.4900 40 T 4.1177 8.1675 115.9606 67.1092 68.2726 176.4806 41 Q 4.2171 8.2885 117.4513 57.6278 28.7333 177.2850 42 A 4.6377 7.4696 120.4102 51.4906 19.3466 176.3962 43 D 4.5472 8.0027 117.2540 56.1451 38.5654 174.2198 44 W 4.5945 8.4436 118.7112 56.4486 30.5544 176.3634 45 T 4.4113 9.0690 121.3141 62.5316 69.5540 173.8610 46 V 4.7359 8.3953 127.2562 61.2858 33.5859 174.5184 47 V 4.9879 8.6449 127.5233 61.1509 34.9636 174.0597 48 L 5.2449 8.8960 126.4043 53.3315 44.3947 175.5149 49 A 5.1839 9.0516 123.8416 50.5721 21.8509 174.9828 50 T 4.8781 8.7613 116.7562 60.7311 70.7809 173.1516 51 N 4.6493 8.9788 126.2234 52.7678 39.2989 175.8017 52 Q 4.8182 9.2408 123.1475 54.0938 29.2662 176.3568 53 S 4.5786 8.1254 113.8315 59.9677 63.8528 176.3331 54 G 3.2517 8.3097 109.7424 47.5217 0.0000 175.6533 55 L 3.5908 7.2453 120.8418 57.7206 41.5089 179.3351 56 A 3.9791 7.2526 118.4573 54.8736 18.3727 178.9675 57 R 4.1411 7.9577 114.2798 55.5131 30.3963 176.7101 58 G 3.8422 7.4802 106.7481 46.5495 0.0000 175.3972 59 L 4.1067 7.8185 122.4332 56.4744 42.0126 176.8512 60 F 4.7944 6.8825 110.9776 54.9983 40.4501 172.5586 61 D 5.0196 8.3916 120.5171 51.5944 43.0968 176.9593 62 T 3.9383 8.4289 115.4139 66.6716 68.1717 176.7128 63 A 3.9913 8.0913 122.3185 55.4798 18.5320 179.6626 64 T 3.7668 8.0440 113.8410 66.4561 68.4597 176.6874 65 L 3.6650 8.0785 122.2374 58.2594 42.1507 178.6657 66 N 4.2507 8.4879 116.5246 56.3389 38.5211 177.1866 67 A 3.9109 8.1170 122.2173 55.1662 18.2431 179.6533 68 I 3.3810 7.7156 117.4912 64.9427 37.2438 178.2281 69 H 4.1017 7.8208 115.5193 58.5510 28.7571 177.3365 70 D 4.5143 8.1261 121.1798 56.8321 40.5337 178.8890 71 K 3.9159 7.4427 116.4426 57.5187 31.8169 177.9342 *73 H 4.7158 8.0872 116.0746 55.5452 30.9116 175.8988 74 R 3.9047 8.4450 118.3458 59.2414 29.5418 179.0607 75 A 4.0798 7.9156 119.7157 55.0605 18.6415 179.4126 76 L 4.1122 7.8394 116.9715 57.8429 41.5796 179.3047 77 A 4.0512 8.2114 120.3292 54.9214 18.3025 179.1670 78 Q 3.9549 7.5811 114.4825 57.6787 29.3907 177.2973 *80 G 3.8427 7.8332 105.0847 44.9810 0.0000 173.1106 81 G 4.1023 8.0612 108.1721 43.7586 0.0000 174.3678 82 V 4.2768 8.2500 120.9084 60.7871 33.5664 175.0347 83 V 4.3201 8.2605 126.7590 61.1504 31.6053 175.3014 84 D 4.7167 9.0664 129.1515 57.3338 41.7525 176.0492 85 A 4.6681 7.7039 114.5690 50.9162 23.3340 175.5323 86 I 4.7033 8.2364 120.3415 59.7384 39.6735 175.5137 87 F 4.4186 9.5470 126.6244 56.1904 41.7766 174.8400 *89 C 4.6979 8.3544 119.9550 58.9977 32.1427 171.8238 90 P 4.9228 0.0000 0.0000 63.3461 32.2323 175.6026 91 H 4.6326 8.0541 117.5950 55.2486 30.1403 174.9249 92 G 4.0351 8.8968 111.3484 43.5736 0.0000 173.0784 93 P 4.2860 0.0000 0.0000 65.1501 31.1819 177.4327 94 D 4.9589 7.9510 115.3942 54.2097 40.8144 177.0816 95 D 4.3561 8.3174 119.5259 54.5817 40.9993 177.1705 96 G 4.1231 7.4898 107.5129 46.2907 0.0000 173.7216 97 C 4.2901 7.3567 114.4208 57.6796 30.5930 172.9668 98 A 4.6047 8.4266 120.0424 52.1067 18.9712 177.5385 99 C 4.6565 7.8303 109.9255 57.9888 31.3766 173.9042 100 R 4.3629 7.8606 122.2275 55.2703 29.7794 175.4609 101 K 4.5979 8.7601 124.8009 55.8650 32.6348 175.2350 102 P 4.8043 0.0000 0.0000 63.0744 31.5814 176.1532 103 L 4.1693 7.9561 120.7020 54.7984 42.1605 175.6745 104 P 4.8503 0.0000 0.0000 62.8102 31.8496 177.3211 105 G 4.0802 8.1041 108.2450 46.9473 0.0000 174.7320 *107 Y 4.2999 7.9263 119.0571 57.7806 40.0734 177.8295 108 R 4.0101 8.1805 118.7777 59.1605 29.9675 178.6831 109 D 4.4349 8.3501 118.9784 57.5501 40.8396 178.9980 110 I 3.2950 7.3197 119.4020 64.0898 37.0759 178.1137 111 A 4.0476 8.0985 121.6649 55.1921 18.0772 179.7242 112 R 3.8436 8.1678 117.1900 59.5808 29.9798 178.7128 113 R 3.8532 8.2070 117.6772 58.8970 30.1909 177.1022 114 Y 4.3838 7.9170 113.1564 56.3454 39.3964 174.7498 115 D 4.4296 7.6562 119.0500 55.7996 40.1781 172.9855 116 V 4.5524 7.6785 110.0666 59.3506 35.4385 175.4850 117 D 4.6265 8.4373 121.4679 53.8015 41.8598 176.4797 118 L 4.1960 8.5143 124.6842 55.2035 42.2536 176.3888 119 A 4.1503 8.2540 122.9824 54.0510 18.3396 178.2794 120 G 4.0109 9.0106 111.2539 45.4100 0.0000 173.4412 121 V 3.9769 7.9587 121.8946 62.0094 32.5568 173.5336 122 P 5.1070 0.0000 0.0000 62.9255 32.7644 175.0831 123 A 5.1038 9.2254 124.7477 50.3482 21.8043 174.6751 124 V 4.7343 8.9913 123.4399 62.3036 33.5014 175.2861 125 G 4.7348 9.2112 113.9505 45.1779 0.0000 172.5294 126 D 5.0674 9.0627 117.3954 52.7999 40.9136 176.1801 127 S 4.9663 8.2173 115.5857 54.8964 66.5050 174.5689 128 L 3.9642 8.6286 124.3129 58.5528 41.6665 179.7139 129 R 3.9332 7.9915 115.3973 59.2527 29.3198 178.5575 130 D 4.4065 8.1294 119.6640 57.2710 40.7935 178.6560 131 L 3.9822 7.8267 118.9926 57.9008 41.7009 179.5006 132 Q 3.9376 8.3477 117.9600 58.6441 28.5612 178.4949 133 A 4.1903 8.2218 122.9392 54.5007 18.4763 179.5615 134 A 2.9149 7.4270 118.8857 54.9885 18.5700 179.7605 135 A 3.9088 8.1349 119.6830 55.4085 18.1969 179.8963 136 Q 3.9431 7.9517 115.4698 58.9168 28.8293 178.4762 137 A 4.2384 7.5644 120.4644 52.9954 18.5966 178.1725 138 G 4.0374 7.4800 103.8991 45.2961 0.0000 173.6283 139 C 4.7335 7.9246 117.2299 59.3810 29.6761 173.1007 140 A 4.5424 8.8210 122.4893 50.2958 19.6828 175.1031 141 P 5.0854 0.0000 0.0000 62.8024 33.2087 175.7349 142 W 5.1935 9.4175 123.3541 54.8147 32.6863 173.9203 143 L 5.1641 9.3228 127.0513 53.5909 43.8149 175.6618 144 V 5.3387 8.3522 118.8008 59.4097 34.0196 176.7198 145 Q 4.3879 8.4671 121.1881 57.5336 29.4074 176.7327 146 T 4.0979 7.9603 109.9607 61.5646 70.6545 176.0219 147 G 3.6002 8.0479 110.8962 47.3965 0.0000 174.5275 148 N 4.6763 10.0691 123.0675 53.4094 38.6099 177.0263 149 G 4.1352 8.1937 109.5843 47.4996 0.0000 176.4975 150 R 3.9761 7.8980 119.9079 58.9166 30.1837 179.0972 151 K 3.9975 7.9720 117.8845 59.6965 31.9812 179.2964 152 T 3.8760 8.1691 116.2223 66.6139 68.1400 176.5705 153 L 3.9667 7.8186 119.4913 57.8979 41.7520 179.2800 154 A 4.1338 7.7342 119.1278 54.9824 18.3683 179.3200 155 Q 4.0830 8.1543 115.9555 58.1252 29.2991 177.8129 156 G 3.7885 8.5281 107.8482 46.0521 0.0000 173.0881 157 G 3.8352 8.6586 104.6416 46.6510 0.0000 174.1887 158 L 4.2335 7.8164 117.9672 53.0646 42.9361 175.6958 159 P 4.3474 0.0000 0.0000 62.3548 31.9280 176.0234 160 E 4.0580 8.5250 120.9768 58.2181 29.6980 177.8383 161 G 3.8626 8.8347 110.8823 45.3018 0.0000 173.5094 162 T 3.9691 7.3032 115.9494 64.3055 69.1256 173.7826 163 R 4.2557 8.2931 124.5410 54.5558 32.3512 175.3562 164 V 4.8660 8.0728 122.1314 61.4502 33.8924 174.3080 165 C 4.9812 9.0917 124.2297 57.8943 32.7610 174.8228 166 E 4.0461 8.9422 121.5030 59.2687 30.4411 175.9823 167 D 4.8747 7.6359 116.0654 51.2084 42.1256 175.2369 168 L 3.8398 8.5671 119.2619 58.3477 41.8291 178.4538 169 A 3.8866 8.0483 119.9724 55.3669 18.1984 179.3671 170 A 3.9650 8.2529 119.0621 54.9798 18.3394 180.0252 171 V 3.3593 7.8022 116.6945 66.0382 31.5711 178.0487 172 A 3.5734 7.9593 120.7134 55.0046 18.0817 179.1530 173 E 3.8165 8.0634 117.6906 59.4614 29.7127 179.0522 174 Q 4.0356 8.1742 118.0055 59.0470 28.6412 178.7162 175 L 3.9945 7.5805 118.6181 58.0201 41.7869 179.4470 176 L 4.2416 8.0082 118.7234 57.5410 41.3332 179.2778 177 Q 4.0189 8.2532 119.4061 58.9323 29.1356 177.2296 178 E 4.3527 8.1553 116.2331 56.3447 29.8220 177.0128 179 A 4.3966 7.5440 126.8498 52.7967 18.6449 177.2316 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 8.17 3.87 0.00 0.79 0.74 0.00 0.61 0.00 0.00 1.38 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.78 0.96 7.81 3 L 8.17 4.69 0.00 1.58 1.51 0.64 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 4 I 9.65 4.91 1.85 0.00 0.00 0.38 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 1.35 0.91 0.00 0.00 5 I 8.76 5.06 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.64 0.84 0.00 0.00 6 L 8.94 5.19 0.00 1.53 1.54 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.99 4.94 0.00 2.80 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.76 4.27 0.00 1.98 1.88 0.00 3.54 0.00 0.00 3.55 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.80 0.00 9 D 7.81 4.65 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 10 G 9.51 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 4.14 2.28 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 0.83 0.00 0.00 0.95 0.00 0.00 12 V 8.43 3.92 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.03 0.00 0.00 13 N 7.42 5.11 0.00 1.76 1.46 0.00 0.00 6.20 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 14 Q 8.51 4.14 0.00 1.73 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 15 D 8.57 4.58 0.00 2.69 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 16 S 8.18 4.56 0.00 3.81 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.85 4.25 0.00 2.69 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.97 4.56 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 19 F 7.70 3.98 0.00 3.33 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 20 V 8.41 4.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.96 0.00 0.00 21 K 9.13 4.42 0.00 1.91 1.96 0.00 1.90 0.00 0.00 1.97 0.00 0.00 3.32 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.68 1.62 7.81 22 S 7.46 4.55 0.00 3.95 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 23 P 0.00 4.23 0.00 2.18 2.11 0.00 3.57 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 24 D 8.07 4.46 0.00 2.69 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 25 E 8.29 4.12 0.00 2.10 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 0.00 2.36 2.27 0.00 26 W 7.81 4.43 0.00 3.21 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 27 I 7.43 4.45 1.70 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 1.26 0.63 0.80 0.00 0.00 28 A 8.20 3.83 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.47 4.09 0.00 1.51 1.51 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.28 0.00 2.00 1.98 0.00 3.65 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 1.99 2.06 0.00 31 G 8.95 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 0.00 0.00 0.00 32 S 7.96 4.07 0.00 4.03 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 33 L 7.81 4.05 0.00 1.72 1.76 1.10 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.09 3.93 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 35 A 8.09 3.91 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 36 I 7.77 3.61 2.02 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 1.42 0.77 0.92 0.00 0.00 37 A 8.18 3.99 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 38 R 8.30 3.85 0.00 1.93 1.95 0.00 3.10 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 39 L 7.89 3.88 0.00 1.57 1.50 0.34 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.17 4.12 4.51 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 1.25 0.00 0.00 41 Q 8.29 4.22 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.23 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 42 A 7.47 4.64 1.52 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 43 D 8.00 4.55 0.00 2.83 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 44 W 8.44 4.59 0.00 3.13 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 45 T 9.07 4.41 4.13 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 1.06 0.00 0.00 46 V 8.40 4.74 2.31 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 1.04 0.00 0.00 0.96 0.00 0.00 47 V 8.64 4.99 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 1.06 0.00 0.00 0.83 0.00 0.00 48 L 8.90 5.24 0.00 1.68 1.59 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 49 A 9.05 5.18 0.81 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 0.00 0.00 50 T 8.76 4.88 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 51 N 8.98 4.65 0.00 2.72 2.84 0.00 0.00 6.82 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 52 Q 9.24 4.82 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 53 S 8.13 4.58 0.00 4.11 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 0.00 54 G 8.31 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 0.00 0.00 0.00 55 L 7.25 3.59 0.00 1.77 1.58 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.25 3.98 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 57 R 7.96 4.14 0.00 1.43 1.74 0.00 2.80 0.00 0.00 3.03 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 58 G 7.48 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 59 L 7.82 4.11 0.00 1.40 1.78 0.66 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 60 F 6.88 4.79 0.00 3.08 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 61 D 8.39 5.02 0.00 2.88 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 62 T 8.43 3.94 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 63 A 8.09 3.99 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 64 T 8.04 3.77 4.51 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 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1.96 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 75 A 7.92 4.08 1.43 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 76 L 7.84 4.11 0.00 1.90 1.97 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.21 4.05 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 78 Q 7.58 3.95 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.08 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 *80 G 7.83 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 0.00 0.00 0.00 81 G 8.06 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.25 4.28 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 0.83 0.00 0.00 0.95 0.00 0.00 83 V 8.26 4.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 127 S 8.22 4.97 0.00 3.97 3.75 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 0.00 128 L 8.63 3.96 0.00 1.75 1.68 0.95 0.83 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 0.00 129 R 7.99 3.93 0.00 2.19 2.20 0.00 3.06 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 130 D 8.13 4.41 0.00 2.89 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 0.00 131 L 7.83 3.98 0.00 1.77 1.69 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 132 Q 8.35 3.94 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 133 A 8.22 4.19 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.43 2.91 1.05 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 0.00 0.00 135 A 8.13 3.91 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 0.00 136 Q 7.95 3.94 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 137 A 7.56 4.24 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 0.00 138 G 7.48 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 0.00 0.00 0.00 139 C 7.92 4.73 0.00 2.95 3.12 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 0.00 0.00 0.00 140 A 8.82 4.54 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 0.00 141 P 0.00 5.09 0.00 2.07 1.96 0.00 3.49 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 142 W 9.42 5.19 0.00 3.15 3.10 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 0.00 0.00 0.00 0.00 143 L 9.32 5.16 0.00 1.71 1.51 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 144 V 8.35 5.34 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 1.05 0.00 0.00 1.01 0.00 0.00 145 Q 8.47 4.39 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 146 T 7.96 4.10 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 1.18 0.00 0.00 147 G 8.05 3.60 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 0.00 148 N 10.07 4.68 0.00 2.93 2.83 0.00 0.00 7.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.19 4.14 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 0.00 0.00 0.00 150 R 7.90 3.98 0.00 1.85 1.98 0.00 3.12 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.89 0.00 151 K 7.97 4.00 0.00 1.96 1.85 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.52 7.81 152 T 8.17 3.88 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 1.21 0.00 0.00 153 L 7.82 3.97 0.00 1.80 1.72 0.91 0.64 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 0.00 154 A 7.73 4.13 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 0.00 155 Q 8.15 4.08 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.84 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 156 G 8.53 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 0.00 0.00 0.00 157 G 8.66 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 0.00 158 L 7.82 4.23 0.00 1.61 1.57 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.35 0.00 2.13 1.93 0.00 3.57 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 2.12 2.08 0.00 160 E 8.53 4.06 0.00 1.92 1.87 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 2.29 2.24 0.00 161 G 8.83 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 T 7.30 3.97 4.16 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 1.20 0.00 0.00 163 R 8.29 4.26 0.00 0.67 0.82 0.00 2.63 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.86 0.00 164 V 8.07 4.87 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.88 0.00 0.00 165 C 9.09 4.98 0.00 3.01 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 0.00 166 E 8.94 4.05 0.00 2.06 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 2.31 0.00 167 D 7.64 4.87 0.00 2.87 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 L 8.57 3.84 0.00 1.73 1.65 0.79 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 169 A 8.05 3.89 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 0.00 170 A 8.25 3.96 1.43 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 0.00 171 V 7.80 3.36 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 0.21 0.00 0.00 0.99 0.00 0.00 172 A 7.96 3.57 1.16 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 0.00 0.00 173 E 8.06 3.82 0.00 2.07 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 0.00 2.30 2.40 0.00 174 Q 8.17 4.04 0.00 2.37 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.55 0.00 0.00 0.00 0.00 0.00 2.66 2.83 0.00 175 L 7.58 3.99 0.00 1.31 1.44 -0.04 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 176 L 8.01 4.24 0.00 1.72 1.72 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 177 Q 8.25 4.02 0.00 2.12 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 178 E 8.16 4.35 0.00 2.16 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 2.39 2.54 0.00 179 A 7.54 4.40 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 * Residues marked with a * may have inaccurate shift predictions.