NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.2948 0.0000 0.0000 62.2893 32.6284 176.0911 9 H 3.8034 8.3281 118.2126 53.5896 29.8643 174.3502 10 P 4.2169 0.0000 0.0000 61.7763 30.8823 175.7388 11 L 4.4503 6.9411 118.2051 55.0491 42.8607 177.8144 12 T 4.2087 8.2861 113.4986 62.6320 69.8296 173.9796 13 E 4.7059 7.4824 118.5832 54.7141 32.0180 174.1019 14 P 4.3581 0.0000 0.0000 64.9463 31.6137 177.8545 15 G 3.3883 8.0858 105.2286 44.5049 0.0000 171.9646 16 V 4.8630 7.9291 119.9180 60.4858 34.8606 173.9023 17 W 4.7362 9.0068 135.0000 55.5004 33.0471 174.2981 18 I 5.1111 8.2140 127.2691 59.6662 40.1402 174.5495 19 E 4.5250 9.2178 128.0784 54.4324 32.4113 174.6848 20 R 4.2658 8.7985 127.9797 56.2792 30.8169 175.2243 21 I 4.3837 8.6876 127.1070 60.6347 39.8437 177.1652 22 G 3.9203 9.0689 116.2092 44.9587 0.0000 173.1099 23 G 4.1636 8.0874 105.6673 45.0547 0.0000 173.2522 24 R 3.8207 7.9776 118.0325 55.5842 30.6751 176.1697 25 V 4.1219 7.6534 120.6389 61.0150 33.0388 174.9729 26 F 4.7759 8.3895 125.3742 54.6185 41.2270 173.5580 27 P 4.5168 0.0000 0.0000 61.7118 31.8241 174.1907 28 P 4.4527 0.0000 0.0000 63.8705 31.9330 174.9053 29 H 4.1191 9.0447 116.5153 57.3487 28.7346 174.5905 30 L 4.5588 7.6197 116.1759 52.8132 43.2914 174.9314 31 P 5.0087 0.0000 0.0000 62.0191 32.4667 175.3314 32 A 4.6599 8.7837 122.9071 50.0201 22.8254 175.3150 33 L 4.8002 8.3010 121.9933 53.6697 43.4406 175.3844 34 F 5.1118 9.2755 126.8656 56.7244 40.7543 175.1322 35 L 5.2933 9.0563 122.9722 52.7346 45.1176 176.0419 36 D 4.9168 8.9750 123.3903 54.3438 41.9653 174.5416 37 R 4.2621 8.7114 119.6912 57.9043 31.5438 175.1343 38 D 4.6610 7.7759 119.6464 55.9512 41.2379 177.0058 39 G 4.0335 9.6320 114.3576 45.5168 0.0000 172.7488 40 T 4.4769 7.4279 113.2071 65.1085 71.4312 176.1577 41 I 3.8246 8.3726 121.5636 63.3816 37.8787 175.7751 42 N 5.4764 7.6259 115.9024 50.3032 40.8107 173.9977 43 V 3.9587 8.4767 120.8544 63.1374 32.0175 175.4895 44 D 4.6483 8.6371 127.0386 54.8806 41.9957 174.9011 45 T 4.5882 7.9877 115.8487 60.7976 70.3522 173.3737 46 D 4.2309 8.5723 125.7936 56.9414 40.8996 176.6314 47 Y 4.8373 7.2063 115.8930 55.4944 38.8899 173.6499 48 P 4.5044 0.0000 0.0000 61.8234 30.2322 177.2726 49 S 3.8819 7.3488 111.3436 58.1665 65.1666 174.0876 50 D 4.7224 7.5485 121.6193 51.5031 42.0096 174.4329 51 P 4.1920 0.0000 0.0000 65.5303 31.4307 178.4874 52 A 4.0362 8.0222 121.2073 54.5120 18.2926 177.9062 53 E 4.2979 7.8665 113.6250 57.0840 30.0933 176.7850 54 I 3.9284 7.3740 121.0087 61.2519 37.8297 175.8239 55 V 4.4527 8.1602 125.5698 60.8075 34.7308 174.6511 56 L 4.5449 8.6176 127.3777 54.8149 42.4337 177.3622 57 R 4.2625 8.9038 122.2937 54.6336 29.5318 176.0128 58 P 4.0834 0.0000 0.0000 65.0586 31.8174 178.1532 59 Q 4.2283 7.1477 117.8497 55.8084 27.7690 177.0192 *61 L 4.3420 7.8964 119.4665 55.4190 44.2050 177.9628 62 P 4.1539 0.0000 0.0000 65.4019 31.1536 178.5032 63 A 3.8616 7.7904 119.1111 55.0939 18.3368 179.5813 64 I 3.5205 7.5983 117.5935 64.3938 37.2173 178.2137 65 A 3.8155 8.0782 121.8184 55.4952 18.1591 179.8176 66 T 3.7184 7.9918 113.8750 66.6331 68.5267 176.7407 67 A 3.9196 7.9231 122.5380 55.1646 18.4186 179.1550 68 N 4.2524 8.2497 115.3666 56.9190 38.4248 177.9459 69 R 4.0597 7.9593 117.1960 58.6375 30.3603 178.2135 70 A 4.3033 8.0901 119.5924 52.0761 18.3124 178.2860 71 G 4.1137 7.8044 105.1010 46.2636 0.0000 173.2476 72 I 4.4872 7.6504 120.8137 58.4759 38.3769 174.3138 73 P 4.0215 0.0000 0.0000 62.7695 32.6034 175.1703 74 V 4.5133 8.8994 122.9102 61.2784 33.5722 174.3720 75 V 4.5915 8.4774 128.5754 60.9946 34.0296 174.3656 76 V 4.5481 8.4671 128.5106 62.4658 33.0760 174.8991 77 V 4.9943 9.0646 120.9248 59.9732 35.0095 174.5094 78 T 4.7915 8.8762 120.3219 60.2451 70.7725 172.3563 79 N 5.0563 8.9231 126.0739 52.2574 39.7147 175.7876 80 Q 4.6867 8.6000 122.6590 54.2030 29.1668 176.7956 81 S 4.4370 7.2435 116.3672 60.3995 63.5691 176.6373 82 G 3.4639 7.9325 109.1578 47.3954 0.0000 175.6779 83 I 3.7880 7.0302 123.1288 63.7287 37.0368 178.3005 84 A 3.8896 7.4854 120.9364 54.7900 18.0149 178.8119 85 R 3.9414 7.1270 113.8600 56.0700 30.3506 177.6707 86 G 3.8411 7.2108 106.7618 45.6201 0.0000 174.4465 87 Y 4.4607 7.4395 118.2780 60.5972 38.2495 175.2336 88 F 4.6860 7.0232 112.8843 56.5427 40.2908 171.6595 89 G 4.3507 8.1109 108.5107 42.9701 0.0000 173.2909 90 W 4.5762 8.6250 117.4570 59.8348 28.8148 178.8854 91 S 4.3738 8.4163 114.9115 61.4775 62.2887 176.2756 92 A 4.0072 8.1466 123.1221 55.0346 18.2536 179.0965 93 F 3.9202 8.4584 119.0322 61.4122 39.3678 177.1353 94 A 3.8106 8.3777 120.1046 55.1004 18.2242 179.4976 95 A 3.8869 7.9882 119.2032 55.2313 18.4964 180.1149 96 V 3.3497 7.8639 117.0828 66.1179 31.6415 177.7682 97 N 4.1058 8.0629 117.2848 56.4359 38.5621 176.9168 98 G 3.6358 8.0663 107.2657 47.8571 0.0000 175.6031 99 R 3.8518 7.8677 121.0550 58.9795 30.0803 178.7499 100 V 3.5323 7.7891 118.0504 66.1354 31.4860 178.0800 101 L 4.0383 8.0094 118.6637 57.6163 41.4115 179.1610 102 E 3.9247 8.4449 119.5360 59.3277 29.4312 178.8974 103 L 4.0269 8.1994 119.2677 57.7260 41.6164 179.5283 104 L 3.9919 8.0876 119.0036 57.7333 41.5270 179.3285 105 R 4.0554 8.2802 118.8646 59.7586 29.7751 178.4255 106 E 4.0420 8.1622 116.8106 58.6430 29.5023 178.0919 107 E 4.4381 7.6754 116.5887 55.6492 29.8698 176.6493 108 G 3.9198 8.1295 107.2637 46.1325 0.0000 173.6835 109 V 4.3558 7.7719 111.3876 59.1642 35.1559 174.5547 110 F 4.9688 7.7926 115.1125 55.9595 40.7609 173.3503 111 V 4.6511 8.3384 113.5752 59.7280 35.1274 175.3074 112 D 5.3850 9.0528 118.6222 53.7059 42.8242 175.9512 *114 V 4.3959 7.5951 119.1149 62.8535 33.1700 173.9428 115 L 5.5842 9.2484 127.3825 53.0746 45.0385 175.4125 116 A 5.8614 9.2084 123.5661 49.6123 23.2717 174.4026 117 C 5.1814 8.6565 120.1771 57.7836 33.6338 174.2440 118 A 4.3119 9.0821 128.5829 53.8521 19.7428 176.8882 119 Y 4.7819 7.4482 112.9942 58.3571 38.6943 175.4072 120 H 4.9075 8.7025 121.8387 54.6929 33.0266 174.0575 121 E 3.8803 8.7807 122.2754 59.0595 29.4811 177.4570 122 A 4.4734 8.0770 120.0743 51.6890 18.9332 176.8855 123 G 3.8308 7.8188 107.8330 45.9133 0.0000 173.6647 124 V 4.2343 8.3900 118.5779 60.8799 33.7159 175.3244 125 G 3.8455 8.6849 111.0637 43.3555 0.0000 171.5359 126 P 4.3144 0.0000 0.0000 65.2690 31.4667 176.9993 127 L 4.5124 7.9245 117.5493 55.5866 42.2501 176.6672 128 A 5.3561 7.7242 122.6919 51.3359 17.8811 178.5977 129 I 4.0377 7.5249 122.9393 60.4325 37.7934 175.2699 130 P 4.4534 0.0000 0.0000 65.0629 32.0174 176.0698 131 D 4.7646 7.5225 117.4045 53.2038 41.2444 174.7606 132 H 4.2204 8.0768 118.4888 55.4313 31.1512 174.3963 133 P 4.2030 0.0000 0.0000 62.0247 31.0226 175.9955 *135 R 4.3677 8.0056 117.7930 55.6883 30.7015 174.5235 136 K 4.7935 9.1173 124.6306 55.6693 32.6698 175.4021 137 P 4.6118 0.0000 0.0000 63.7813 31.9664 176.0699 138 N 4.5455 8.0958 118.7919 53.1477 39.0767 173.4473 139 P 4.6831 0.0000 0.0000 62.9735 31.7669 178.2617 140 G 3.8651 7.8830 107.5544 46.4999 0.0000 175.9215 *142 L 4.0010 8.1052 121.1234 54.3577 43.7024 179.5864 143 V 3.5857 7.8711 117.6784 65.9036 31.3287 177.7137 144 E 3.9254 8.7062 119.2871 59.2646 29.4513 178.5124 145 A 4.1733 8.2533 120.5233 55.1294 18.4714 179.5032 146 G 3.7198 8.5703 104.4598 48.0239 0.0000 175.9880 147 K 4.0269 8.2538 121.1930 59.3417 31.9049 179.7935 148 R 4.0338 8.0985 116.9665 58.4018 30.0618 178.1380 149 L 4.4989 8.0856 115.5450 52.9628 43.0439 176.0671 150 A 3.8454 7.7696 121.0105 53.1023 16.6439 177.6264 151 L 4.4961 7.8686 119.5258 55.2437 42.8776 178.1083 152 D 4.5764 8.6667 122.3117 52.8314 40.0559 176.9881 153 L 4.3096 8.2980 126.8866 57.4997 42.1242 179.9607 154 Q 4.6281 8.1411 115.9978 58.0046 28.7453 177.1061 155 R 4.4268 7.7584 114.3742 56.2427 30.6677 176.6134 156 S 4.7186 7.7965 114.6300 58.4320 63.9659 173.3859 157 L 5.3218 8.9209 120.4654 53.1910 45.6282 175.6347 158 I 5.3815 8.3870 120.2882 59.4385 41.9417 174.1583 159 V 5.0740 8.8151 127.6111 61.4310 34.7790 174.5536 160 G 5.0576 8.8518 113.0892 45.7617 0.0000 173.0746 161 D 5.1926 8.8342 116.9427 52.6981 40.1676 176.1904 162 K 4.6901 7.8570 119.3356 54.3010 35.0581 176.8588 163 L 3.9326 8.7006 123.5125 58.1713 42.3275 178.2871 164 A 4.6259 7.9861 120.3882 54.7430 18.6507 178.9494 165 D 4.7308 8.0278 113.3237 55.4147 40.5696 178.2396 *167 Q 3.9956 8.2408 120.2830 55.9529 30.8829 177.5176 168 A 4.4173 7.6304 121.0166 54.4665 18.3328 179.7670 169 G 3.5411 7.9777 104.1779 47.8607 0.0000 175.6080 170 K 3.4045 7.2159 122.0010 59.1072 31.8970 178.9355 171 R 3.9134 7.8477 116.5915 58.6255 30.0158 178.1612 172 A 4.2353 7.6028 118.9463 52.6798 19.0281 178.0944 173 G 3.9795 7.9046 106.2981 44.8894 0.0000 173.9126 174 L 4.6703 7.6714 118.9795 54.8449 42.3538 176.5992 175 A 4.9512 8.4132 119.9346 51.7458 20.8971 176.4007 176 Q 4.2149 7.7918 113.3239 54.3534 33.6462 173.9679 177 G 4.6999 8.3023 108.1672 44.8234 0.0000 171.1778 178 W 4.9824 9.5324 120.7775 54.5471 32.0353 174.8414 179 L 4.7727 8.8645 127.9874 53.0437 42.8804 175.8777 180 V 3.9007 8.6045 127.4951 64.7003 31.6808 175.3875 181 D 4.4466 9.2265 125.8199 55.0102 38.8252 173.2113 182 G 4.2420 8.0287 106.8271 44.4654 0.0000 172.7750 183 E 4.8226 8.5221 118.6491 54.8563 31.0359 176.6878 184 A 4.3378 8.4162 123.1515 52.3610 19.6649 177.9059 185 A 4.3188 9.0740 122.8258 50.8101 21.5513 174.9256 186 V 4.3409 8.2360 120.9195 62.2051 32.7100 174.8701 187 Q 4.6921 8.4807 125.9069 52.9611 32.6691 173.3059 188 P 4.2937 0.0000 0.0000 64.0978 32.0907 175.7875 189 G 4.2722 10.5497 110.6960 45.3425 0.0000 173.0150 190 F 4.8503 7.8511 119.3601 56.6124 43.5401 173.0116 191 A 4.9003 7.7558 127.6671 49.9897 21.6147 175.0414 192 I 4.3105 8.5284 124.6500 60.7585 38.4814 175.2555 193 R 4.5174 8.4344 127.4730 53.5986 31.7793 174.4600 194 P 4.6774 0.0000 0.0000 62.8834 32.5351 176.2273 195 L 4.9129 8.2774 123.4608 53.1543 41.8601 176.1781 196 R 4.5428 9.5962 120.3295 55.4013 32.8769 174.8516 197 D 4.6951 7.5204 116.0097 51.0412 42.3434 175.9160 198 S 4.1710 8.6064 113.3678 61.4237 62.7854 176.1584 199 S 4.0927 8.1169 116.4403 61.4604 62.2940 175.9119 200 E 4.5141 8.7624 122.7320 58.7169 29.0885 178.9641 201 L 3.9764 8.0516 120.7040 58.0552 42.0212 179.1610 202 G 3.6564 8.1330 105.6303 47.9246 0.0000 175.2840 203 D 4.4223 7.8852 120.9005 57.0832 40.9442 178.6146 204 L 2.4400 7.4987 120.4045 57.6653 41.8196 178.9928 205 L 3.8142 7.9825 118.9663 57.6604 41.5015 179.3489 206 A 3.9243 8.1948 120.6661 55.1244 18.0805 179.5643 207 A 3.9945 7.5458 118.2722 55.2512 18.7396 179.7217 208 I 3.7566 7.6844 118.3217 64.5860 37.1782 178.4637 209 E 3.9814 8.3982 119.9585 59.6155 29.0317 179.5458 210 T 3.8978 7.7411 108.9518 64.5931 68.8070 175.8793 211 L 4.3161 7.7001 119.8404 55.0447 42.1005 177.4226 212 G 3.9228 7.4013 109.0626 46.8536 0.0000 174.4825 213 R 4.2991 8.2056 121.9170 56.5661 30.4084 176.9841 214 D 4.6066 8.5804 123.0809 52.0859 41.6934 175.1887 215 N 4.7371 8.8172 126.1970 54.2563 38.6787 176.4720 216 R 4.2591 8.0024 123.1360 56.3237 29.7933 179.1416 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 8 P 0.00 4.29 0.00 2.09 2.05 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.94 0.00 9 H 8.33 3.80 0.00 3.14 3.02 0.00 5.72 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.22 0.00 1.88 1.77 0.00 2.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.08 0.00 11 L 6.94 4.45 0.00 1.47 1.63 0.80 -0.04 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 12 T 8.29 4.21 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 1.14 0.00 0.00 13 E 7.48 4.71 0.00 2.25 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 2.33 2.45 0.00 14 P 0.00 4.36 0.00 2.24 2.28 0.00 3.81 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 2.14 2.17 0.00 15 G 8.09 3.39 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 16 V 7.93 4.86 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 1.09 0.00 0.00 1.02 0.00 0.00 17 W 9.01 4.74 0.00 2.05 2.26 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 18 I 8.21 5.11 1.83 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.78 0.94 0.00 0.00 19 E 9.22 4.52 0.00 1.90 2.08 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 2.32 2.25 0.00 20 R 8.80 4.27 0.00 1.87 1.83 0.00 3.60 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 21 I 8.69 4.38 1.99 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 1.27 1.38 1.04 0.00 0.00 22 G 9.07 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.09 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 0.00 0.00 0.00 0.00 24 R 7.98 3.82 0.00 1.63 1.31 0.00 3.15 0.00 0.00 2.45 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.33 0.00 25 V 7.65 4.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.85 0.00 0.00 26 F 8.39 4.78 0.00 3.09 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 27 P 0.00 4.52 0.00 2.22 2.09 0.00 3.90 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 28 P 0.00 4.45 0.00 2.25 2.14 0.00 3.92 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 2.02 1.98 0.00 29 H 9.04 4.12 0.00 3.23 3.49 0.00 5.94 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.62 4.56 0.00 1.63 1.55 1.16 1.11 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 31 P 0.00 5.01 0.00 1.92 2.02 0.00 3.66 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 32 A 8.78 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.30 4.80 0.00 1.69 1.46 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 34 F 9.28 5.11 0.00 3.14 2.96 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 35 L 9.06 5.29 0.00 1.58 1.56 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.97 4.92 0.00 2.86 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.71 4.26 0.00 1.95 1.84 0.00 3.23 0.00 0.00 3.46 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.66 0.00 38 D 7.78 4.66 0.00 2.74 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 39 G 9.63 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 40 T 7.43 4.48 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 1.31 0.00 0.00 41 I 8.37 3.82 1.88 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 1.36 0.88 0.91 0.00 0.00 42 N 7.63 5.48 0.00 2.82 2.86 0.00 0.00 5.85 7.68 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 43 V 8.48 3.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.98 0.00 0.00 44 D 8.64 4.65 0.00 2.73 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.59 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 1.18 0.00 0.00 46 D 8.57 4.23 0.00 2.10 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.21 4.84 0.00 2.87 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 48 P 0.00 4.50 0.00 2.07 2.05 0.00 3.98 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 2.04 2.02 0.00 49 S 7.35 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 9.08 4.31 0.88 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 0.00 119 Y 7.45 4.78 0.00 2.89 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 0.00 120 H 8.70 4.91 0.00 3.12 3.01 0.00 5.68 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.78 3.88 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 2.17 2.11 0.00 122 A 8.08 4.47 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 0.00 123 G 7.82 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 0.00 124 V 8.39 4.23 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 0.68 0.00 0.00 0.91 0.00 0.00 125 G 8.68 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 0.00 0.00 0.00 126 P 0.00 4.31 0.00 2.25 2.23 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 127 L 7.92 4.51 0.00 1.74 1.80 0.83 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.72 5.36 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 0.00 129 I 7.52 4.04 1.50 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.45 0.72 0.00 0.00 130 P 0.00 4.45 0.00 2.14 2.14 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 131 D 7.52 4.76 0.00 2.53 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.08 4.22 0.00 3.05 3.31 0.00 5.80 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 0.00 133 P 0.00 4.20 0.00 2.16 2.01 0.00 2.95 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 *135 R 8.01 4.37 0.00 1.99 2.04 0.00 3.47 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 136 K 9.12 4.79 0.00 1.80 1.89 0.00 1.96 0.00 0.00 0.98 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.41 7.81 137 P 0.00 4.61 0.00 2.17 2.44 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 138 N 8.10 4.55 0.00 2.99 2.85 0.00 0.00 6.66 7.95 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 0.00 139 P 0.00 4.68 0.00 2.15 2.36 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.90 0.00 140 G 7.88 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 *142 L 8.11 4.00 0.00 1.69 1.29 0.69 0.30 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 0.00 143 V 7.87 3.59 2.08 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 1.01 0.00 0.00 0.93 0.00 0.00 144 E 8.71 3.93 0.00 2.21 2.02 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 2.35 2.42 0.00 145 A 8.25 4.17 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 G 8.57 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 0.00 0.00 0.00 0.00 147 K 8.25 4.03 0.00 2.01 1.90 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.67 7.81 148 R 8.10 4.03 0.00 1.82 2.02 0.00 3.17 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 149 L 8.09 4.50 0.00 1.65 1.63 0.78 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 150 A 7.77 3.85 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 0.00 151 L 7.87 4.50 0.00 1.74 1.64 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 152 D 8.67 4.58 0.00 2.43 2.49 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 0.00 153 L 8.30 4.31 0.00 1.81 1.77 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 154 Q 8.14 4.63 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 155 R 7.76 4.43 0.00 1.76 1.99 0.00 3.18 0.00 0.00 3.38 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 156 S 7.80 4.72 0.00 4.17 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 0.00 157 L 8.92 5.32 0.00 1.66 1.74 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.39 5.38 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 2.11 1.16 0.00 0.00 159 V 8.82 5.07 2.16 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 1.00 0.00 0.00 1.00 0.00 0.00 160 G 8.85 5.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 D 8.83 5.19 0.00 2.80 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 0.00 162 K 7.86 4.69 0.00 1.93 1.72 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.34 7.81 163 L 8.70 3.93 0.00 1.59 1.71 0.93 1.02 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 0.00 164 A 7.99 4.63 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 0.00 165 D 8.03 4.73 0.00 2.91 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 *167 Q 8.24 4.00 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 168 A 7.63 4.42 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 0.00 169 G 7.98 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.22 3.40 0.00 0.79 1.45 0.00 1.63 0.00 0.00 1.49 0.00 0.00 2.67 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.25 7.81 171 R 7.85 3.91 0.00 1.71 1.91 0.00 3.30 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 172 A 7.60 4.24 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 0.00 173 G 7.90 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 0.00 174 L 7.67 4.67 0.00 2.08 1.87 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 175 A 8.41 4.95 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 0.00 176 Q 7.79 4.21 0.00 1.97 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.01 2.23 0.00 177 G 8.30 4.70 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 0.00 0.00 0.00 178 W 9.53 4.98 0.00 3.34 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 0.00 179 L 8.86 4.77 0.00 1.78 1.58 0.97 0.68 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 0.00 180 V 8.60 3.90 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 0.99 0.00 0.00 181 D 9.23 4.45 0.00 2.87 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 0.00 182 G 8.03 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 E 8.52 4.82 0.00 1.86 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 2.27 2.31 0.00 184 A 8.42 4.34 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 0.00 185 A 9.07 4.32 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 0.00 186 V 8.24 4.34 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 0.76 0.00 0.00 0.83 0.00 0.00 187 Q 8.48 4.69 0.00 2.26 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.29 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 188 P 0.00 4.29 0.00 2.05 1.99 0.00 3.69 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 2.08 0.00 189 G 10.55 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 0.00 0.00 0.00 0.00 190 F 7.85 4.85 0.00 3.18 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 0.00 191 A 7.76 4.90 0.90 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 0.00 192 I 8.53 4.31 1.92 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 1.46 0.96 0.94 0.00 0.00 193 R 8.43 4.52 0.00 0.67 0.92 0.00 2.87 0.00 0.00 2.77 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.50 0.00 194 P 0.00 4.68 0.00 2.28 2.07 0.00 3.58 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 195 L 8.28 4.91 0.00 2.10 1.83 0.97 0.92 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 0.00 196 R 9.60 4.54 0.00 1.93 1.93 0.00 3.24 0.00 0.00 3.41 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 197 D 7.52 4.70 0.00 2.86 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 0.00 198 S 8.61 4.17 0.00 4.06 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 0.00 199 S 8.12 4.09 0.00 3.92 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 E 8.76 4.51 0.00 2.32 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 2.42 2.29 0.00 201 L 8.05 3.98 0.00 1.76 1.83 0.82 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 202 G 8.13 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 0.00 0.00 0.00 203 D 7.89 4.42 0.00 3.17 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 L 7.50 2.44 0.00 0.27 1.27 -0.12 0.30 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 0.00 205 L 7.98 3.81 0.00 1.62 1.61 0.85 0.69 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 0.00 206 A 8.19 3.92 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 0.00 207 A 7.55 3.99 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 0.00 208 I 7.68 3.76 1.88 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.70 0.86 0.00 0.00 209 E 8.40 3.98 0.00 2.09 1.98 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 2.44 2.43 0.00 210 T 7.74 3.90 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 1.26 0.00 0.00 211 L 7.70 4.32 0.00 1.80 1.76 0.99 0.99 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 0.00 212 G 7.40 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 R 8.21 4.30 0.00 1.58 1.73 0.00 3.26 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 214 D 8.58 4.61 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 N 8.82 4.74 0.00 2.76 2.81 0.00 0.00 6.92 7.66 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 0.00 216 R 8.00 4.26 0.00 1.84 1.67 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 * Residues marked with a * may have inaccurate shift predictions.