NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 A 4.3301 8.1233 123.5820 52.4658 20.1990 176.3981 9 I 3.7426 8.2851 113.8678 63.2778 37.4578 175.3104 10 P 4.1858 0.0000 0.0000 65.6023 31.8979 177.6719 11 A 4.1015 8.0040 118.7336 55.4961 18.1933 179.6399 12 K 4.0499 7.6518 116.4194 59.5572 31.9066 179.3294 13 L 3.8085 7.8372 119.7258 58.4882 42.0573 177.9656 14 A 3.9278 8.3519 122.1061 54.1924 17.9396 178.8343 15 I 3.4426 7.5714 116.5554 62.9040 37.0999 177.8812 16 A 4.3378 7.6976 122.1451 54.0354 18.3272 179.0886 17 I 3.4225 8.1115 118.1551 63.0683 37.8468 177.6730 18 A 4.1812 7.7276 119.8017 52.9045 18.8779 177.0894 19 N 4.3714 7.5425 117.7814 52.5959 39.3312 173.9953 20 P 4.2203 0.0000 0.0000 65.4440 31.1934 177.2063 21 I 3.5343 7.6034 120.9367 63.6224 37.2393 177.7549 22 F 3.8583 7.9969 121.8832 61.2782 39.3422 175.6370 23 P 3.8983 0.0000 0.0000 67.5079 30.8871 177.8568 24 Q 3.9994 8.1546 119.6566 58.9227 29.4513 178.4502 25 L 3.8366 7.8962 121.7341 57.9896 42.2054 178.2448 26 D 4.0660 8.7280 118.5989 57.4087 41.0347 178.0566 27 S 4.0600 7.6888 115.1295 62.0573 62.9543 176.9794 28 Q 3.9958 7.7735 120.0738 58.8680 28.1989 178.9122 29 L 3.9895 7.5032 118.4453 58.0966 41.9096 179.6041 30 R 4.1587 7.7542 114.4652 57.6298 30.1150 178.5337 31 A 4.2732 7.7776 121.1364 54.4928 19.0294 177.9512 32 G 3.9869 7.6530 114.8293 45.7450 0.0000 172.7371 33 R 4.5244 7.3763 120.9498 55.5962 31.3034 174.5044 34 H 5.3130 8.3552 118.4073 54.4353 31.7063 175.1904 35 I 4.5891 8.2642 120.4693 59.5536 36.9249 175.1677 36 S 4.6573 7.8036 118.9621 57.8287 64.1505 175.9703 37 I 3.9702 8.2315 119.9096 63.3189 36.8892 177.5183 38 E 4.1871 8.2034 119.1989 58.5128 29.7592 177.0204 39 M 4.6564 7.3086 119.2528 59.2210 32.3246 179.6567 40 L 3.3335 6.8928 117.8515 56.0880 44.8950 177.7903 41 D 4.4655 8.0433 119.8260 57.9271 41.0834 179.2410 42 E 4.0400 8.3713 118.6444 59.5806 29.2831 178.5756 43 H 3.9690 8.5509 118.8077 58.8043 30.0328 176.8975 44 A 4.1502 8.2652 122.4131 55.5869 17.9391 178.7459 45 F 4.2009 7.9139 119.0690 61.5591 39.5161 176.9194 46 L 4.0327 7.9625 117.7136 56.5633 41.0730 179.1548 47 M 4.2002 7.6171 119.4855 58.8147 32.2490 177.7400 48 D 4.4676 8.2760 117.1421 55.9637 41.1107 177.1200 49 F 5.1047 7.7910 116.1588 55.8669 40.4788 176.3016 50 Q 4.1110 7.9412 124.5706 59.1078 28.4193 178.7390 51 T 4.0345 7.9714 114.8260 67.4046 68.7933 175.6162 52 E 4.1706 8.4951 119.7175 59.1508 29.4195 179.6227 53 L 4.0735 8.6151 119.4523 57.7705 41.5362 179.4795 54 E 4.0713 7.7702 117.8183 59.0380 29.6328 177.8353 55 S 4.3216 8.8892 115.7865 61.7882 63.2196 175.4446 56 F 4.4585 8.5136 121.5874 61.8358 39.0763 176.2810 57 Y 3.6269 7.9957 115.1192 59.3362 38.3528 179.0423 58 R 3.9699 8.8474 121.6667 59.4504 30.2496 179.1717 59 R 4.0839 7.9801 114.6846 58.7224 30.0820 176.8069 60 Y 4.4061 8.0046 113.3614 57.1547 38.5049 175.0719 61 H 4.0168 8.4981 116.6599 57.4206 26.6904 174.0132 62 V 4.4860 7.4746 116.6475 61.2640 34.9695 175.1196 63 D 4.7656 8.9251 123.5356 52.6524 43.7246 175.0890 64 L 5.2353 8.5080 126.9529 52.6744 42.4566 175.0754 65 I 4.2928 7.3931 125.5035 59.0535 40.6526 176.4117 66 R 3.3080 8.2004 126.3761 54.2353 28.5701 175.3853 67 A 3.8259 7.5034 127.9062 50.5681 19.4042 177.0086 68 P 4.1768 0.0000 0.0000 66.0105 31.4135 177.7872 69 E 4.0893 8.4230 117.3331 59.5210 29.4045 176.8388 70 G 3.6392 6.7071 111.2610 45.1206 0.0000 172.6698 71 F 5.2733 8.0611 116.6971 55.4395 41.1482 174.5919 72 F 4.6919 9.0045 118.0029 56.3717 41.9946 174.2596 73 Y 4.9817 7.3712 118.1174 56.5612 41.5832 173.0373 74 L 4.7558 8.6804 119.4662 53.1895 43.3150 176.5441 75 R 4.4690 9.3366 127.0744 54.3113 31.0027 173.6885 76 P 4.7781 0.0000 0.0000 62.7809 32.6440 176.3844 77 K 4.2675 7.9659 121.7962 55.1747 34.1995 175.4518 78 A 3.9157 8.9079 122.3715 56.5785 19.0382 179.1295 79 S 4.4861 7.5065 112.6784 58.0074 61.2679 174.6611 80 T 4.2200 7.4304 117.7700 63.3744 69.5370 175.2650 81 L 4.3668 8.3972 123.9548 55.8235 42.8207 177.0907 82 I 4.0094 7.7316 119.4959 60.0366 37.4917 174.3430 83 A 4.0255 8.6755 129.8837 51.8674 17.2465 176.6331 84 R 4.2442 8.0728 121.0938 57.2777 31.5293 175.8475 85 S 4.2397 7.8300 115.2613 58.5584 65.3817 172.0300 86 A 4.4653 8.0796 125.7131 53.4188 21.6612 175.2669 87 M 5.1171 8.2592 117.4542 53.7353 36.1638 175.8786 88 S 4.2967 9.5136 117.9809 57.9439 63.9965 174.9069 89 E 3.9608 8.8820 122.1523 59.7044 28.9888 179.3334 90 M 4.0050 7.6961 118.4522 58.6012 32.0698 177.8925 91 E 3.8571 8.1043 118.3947 59.9141 29.6254 179.0785 92 M 3.8137 8.0229 117.4966 58.8313 32.0725 178.6473 93 L 3.8464 7.8814 118.4699 57.8425 41.7379 179.7614 94 V 3.5429 8.2186 118.3484 65.9555 31.4727 178.0565 95 G 2.6369 7.8965 105.4343 47.5115 0.0000 175.3607 96 K 3.9512 7.9722 121.5354 59.1822 31.9852 179.3027 97 V 3.5924 7.8703 118.3118 66.1926 31.4615 177.7337 98 L 3.7823 7.9887 118.6876 58.1780 41.4032 179.3092 99 C 3.9610 8.0396 118.1853 62.7300 31.3876 174.6756 100 Y 4.2017 7.8564 119.8379 61.1338 38.4092 178.1247 101 L 3.6771 8.0232 119.7384 57.8593 41.4814 178.6786 102 Y 4.0930 7.6183 118.8127 60.3830 38.5625 177.0711 103 L 4.3644 7.5124 118.8178 53.8252 43.4034 176.0733 104 S 4.6551 7.4926 114.1489 55.8852 64.7191 174.1311 105 P 4.6328 0.0000 0.0000 62.8883 30.0219 176.9733 106 E 4.5867 8.7378 118.2140 55.8676 32.2166 177.7142 107 R 3.7769 7.5635 119.7907 59.4751 30.2995 178.0329 108 L 3.8568 7.8427 118.7952 58.1645 42.3467 178.9809 109 A 4.4990 7.4992 117.2755 52.4217 18.0830 178.3129 110 Q 4.3876 8.5040 117.6387 59.2688 29.9179 175.3457 111 Q 3.2569 9.1677 110.1852 56.4542 26.7029 174.9525 112 G 4.1412 8.0384 105.4939 47.1163 0.0000 173.5816 113 I 4.8345 7.3256 117.3664 59.3201 40.5184 176.3168 114 F 4.6582 9.1390 123.1071 55.9900 43.5405 175.2896 115 S 4.2844 8.3630 117.8735 57.9076 64.7931 173.6788 116 Q 4.6011 8.5925 117.9161 57.8716 29.0927 177.3203 117 D 4.6216 7.7865 118.8318 57.6052 40.6503 177.9262 118 D 4.7858 8.2767 118.4159 56.2365 40.7278 178.1810 119 V 4.0409 7.7663 118.5133 65.3191 32.0154 176.5675 120 Y 4.2992 7.9830 118.0048 61.0930 38.9564 177.5845 121 E 3.9047 9.0385 119.4422 59.6406 29.5808 179.3371 122 E 4.2604 7.6722 118.0886 58.8387 29.6292 178.9400 123 L 4.0720 7.4023 119.9573 58.2276 42.1401 178.0586 124 L 4.1936 8.1294 119.1428 56.6691 41.7060 178.1291 125 N 4.0821 7.6998 113.8878 54.7402 38.7675 175.7377 *147 R 4.1640 7.9721 115.7255 55.9527 29.9059 175.4576 148 A 4.6443 7.7403 117.7149 52.1101 20.1558 179.5047 149 K 3.8613 7.9937 117.6233 59.5121 32.4922 178.5300 150 L 4.0674 8.0256 119.7687 57.9305 41.7837 178.3730 151 A 3.9589 7.4877 118.2649 54.2214 18.3745 178.1090 152 E 4.2679 8.3084 117.7431 57.6705 30.5289 177.6812 153 K 3.8389 7.8639 119.2710 59.6690 32.2953 178.6026 154 V 3.6469 8.0884 118.4136 65.9608 31.0275 178.2150 155 G 3.7994 8.0191 105.1873 47.4170 0.0000 175.8222 156 G 3.6763 8.3148 108.0571 47.4923 0.0000 175.7277 157 A 3.9386 7.8501 123.2606 54.7794 18.2151 179.2827 158 L 3.8599 8.3617 118.5803 57.7798 41.9725 179.1250 159 R 3.8995 7.7112 117.5960 59.0514 30.2536 178.7909 160 R 4.0286 7.9257 117.5205 58.7274 29.8918 178.6531 161 L 4.1277 7.4645 118.0234 56.7804 41.3337 178.9955 162 A 4.0060 7.5733 120.7501 54.9048 18.1743 179.4395 163 R 4.0905 7.8506 116.0908 58.9441 30.4258 178.3314 164 I 4.2900 7.0797 118.9320 61.0329 36.6716 176.8864 165 G 3.9149 7.4441 106.8374 46.6132 0.0000 174.8775 166 I 4.1171 7.4296 122.8168 62.6717 38.7194 175.5856 167 I 5.0966 7.2881 119.7033 60.5584 41.5066 174.7574 168 T 4.5545 8.1476 118.4851 62.7958 72.5343 174.8399 169 R 4.2787 8.6935 125.9526 56.2896 31.2825 176.0663 170 V 4.2293 8.0373 114.8298 64.4023 35.3546 174.9389 *177 K 4.1126 7.7430 116.1980 56.5020 33.3656 174.7870 178 F 4.8914 7.7571 114.8860 56.5198 41.9812 172.6432 179 I 5.2686 7.9860 119.2855 58.5657 39.8115 175.7132 180 I 4.3082 8.8764 127.9130 61.3418 38.1713 175.0220 181 S 4.6677 7.9007 117.3093 56.1873 66.3929 174.8899 182 E 3.4407 8.4106 118.1694 58.4052 29.3485 179.1080 183 A 2.5800 6.7005 120.0240 53.6892 18.6401 178.7310 184 V 3.8294 7.1711 115.6059 65.2619 31.7411 178.1886 185 F 4.8207 8.1167 115.7442 58.3901 38.1296 176.0325 186 R 4.2112 8.7886 124.9106 58.6505 30.1885 177.5945 187 F 4.7225 8.0559 114.3165 57.5666 39.0497 176.6943 188 G 4.1465 7.6148 111.7122 45.3281 0.0000 173.2407 189 A 4.6539 8.1862 120.3608 50.5916 21.9952 176.9644 190 D 4.4475 8.5121 121.0413 53.9442 39.3940 175.0558 191 V 3.7563 8.1461 124.1879 62.8774 30.3640 176.6569 192 R 4.0451 8.3052 122.5001 57.9972 29.7902 178.5071 193 A 3.9728 8.1804 122.3002 53.3672 18.5779 178.6953 194 G 4.4250 8.0010 101.3468 46.4414 0.0000 173.8326 195 D 4.7603 7.8423 118.9588 54.5738 43.4853 176.0601 196 D 4.8618 7.8635 115.9219 51.8679 44.2755 172.7720 197 P 4.8395 0.0000 0.0000 63.5676 34.7331 177.7566 198 R 3.7633 9.2482 110.0971 59.3004 29.1315 178.0767 199 E 4.0447 9.8033 132.7930 59.9326 30.0342 176.3311 200 V 3.6099 7.3269 118.2730 65.9575 31.3674 178.0431 201 Q 4.0712 8.2724 118.0571 58.9701 28.7364 178.4028 202 L 3.7874 7.7753 119.5184 57.6195 41.5375 179.4246 203 R 3.8671 8.2282 119.1262 59.3224 29.8120 178.3535 204 L 3.9554 7.7166 119.1175 58.1852 42.1763 178.6897 205 I 3.8802 7.6836 118.4448 63.2802 37.0972 177.5588 206 R 4.1994 7.5460 118.7136 57.5578 30.3435 175.6265 207 D 4.5379 8.1656 122.2780 54.3400 41.4049 175.5202 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 A 8.12 4.33 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 9 I 8.29 3.74 1.90 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 1.67 0.51 0.97 0.00 0.00 10 P 0.00 4.19 0.00 2.00 2.11 0.00 3.70 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 2.17 0.00 11 A 8.00 4.10 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.65 4.05 0.00 1.90 2.30 0.00 1.77 0.00 0.00 1.49 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.60 1.67 7.81 13 L 7.84 3.81 0.00 1.87 1.80 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.35 3.93 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 15 I 7.57 3.44 1.88 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 1.56 0.80 0.94 0.00 0.00 16 A 7.70 4.34 1.12 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 0.00 0.00 17 I 8.11 3.42 1.50 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.13 0.55 0.00 0.00 18 A 7.73 4.18 1.25 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 19 N 7.54 4.37 0.00 3.11 2.84 0.00 0.00 6.72 7.37 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 20 P 0.00 4.22 0.00 2.15 2.17 0.00 3.77 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 1.91 1.99 0.00 21 I 7.60 3.53 0.74 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 -0.11 0.28 0.00 0.00 22 F 8.00 3.86 0.00 3.27 3.18 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 23 P 0.00 3.90 0.00 2.19 1.95 0.00 3.83 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.32 0.00 24 Q 8.15 4.00 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 25 L 7.90 3.84 0.00 1.62 1.72 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.73 4.07 0.00 1.58 2.33 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 27 S 7.69 4.06 0.00 3.89 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 28 Q 7.77 4.00 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 29 L 7.50 3.99 0.00 1.89 1.75 0.80 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.75 4.16 0.00 1.79 1.96 0.00 3.02 0.00 0.00 2.98 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 31 A 7.78 4.27 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 32 G 7.65 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.38 4.52 0.00 2.01 1.85 0.00 3.44 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 34 H 8.36 5.31 0.00 3.31 3.65 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.26 4.59 1.92 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 1.42 0.86 0.89 0.00 0.00 36 S 7.80 4.66 0.00 4.13 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 8.23 3.97 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.64 0.91 0.00 0.00 38 E 8.20 4.19 0.00 1.97 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 2.33 2.27 0.00 39 M 7.31 4.66 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 40 L 6.89 3.33 0.00 1.72 1.57 0.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.04 4.47 0.00 2.65 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 42 E 8.37 4.04 0.00 2.13 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 2.22 2.25 0.00 43 H 8.55 3.97 0.00 3.35 3.41 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.27 4.15 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 45 F 7.91 4.20 0.00 3.10 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 46 L 7.96 4.03 0.00 0.64 1.25 0.55 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 47 M 7.62 4.20 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.73 0.00 48 D 8.28 4.47 0.00 2.79 2.34 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 49 F 7.79 5.10 0.00 2.78 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 50 Q 7.94 4.11 0.00 2.47 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.17 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 51 T 7.97 4.03 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 1.22 0.00 0.00 52 E 8.50 4.17 0.00 2.27 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 2.44 2.49 0.00 53 L 8.62 4.07 0.00 1.79 1.88 0.88 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.77 4.07 0.00 2.07 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 2.37 2.38 0.00 55 S 8.89 4.32 0.00 3.98 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.51 4.46 0.00 3.09 3.40 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 57 Y 8.00 3.63 0.00 2.98 2.97 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 58 R 8.85 3.97 0.00 2.02 1.96 0.00 3.17 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 59 R 7.98 4.08 0.00 1.69 1.78 0.00 3.13 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 60 Y 8.00 4.41 0.00 2.81 2.97 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 61 H 8.50 4.02 0.00 3.36 3.39 0.00 5.76 0.00 0.00 0.00 0.00 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.47 4.49 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 0.87 0.00 0.00 1.06 0.00 0.00 63 D 8.93 4.77 0.00 2.75 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.51 5.24 0.00 1.32 1.47 0.79 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.39 4.29 1.60 0.00 0.00 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 1.14 0.69 0.70 0.00 0.00 66 R 8.20 3.31 0.00 1.18 1.48 0.00 3.17 0.00 0.00 3.12 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.00 67 A 7.50 3.83 0.80 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 0.00 0.00 68 P 0.00 4.18 0.00 2.12 2.14 0.00 3.65 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 69 E 8.42 4.09 0.00 2.55 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.72 0.00 70 G 6.71 3.64 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 0.00 71 F 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.43 4.22 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 1.32 0.00 0.00 81 L 8.40 4.37 0.00 1.71 1.74 1.07 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.73 4.01 1.93 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 1.45 0.63 0.94 0.00 0.00 83 A 8.68 4.03 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 84 R 8.07 4.24 0.00 1.80 1.88 0.00 3.24 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 85 S 7.83 4.24 0.00 3.85 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.08 4.47 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 M 8.26 5.12 0.00 2.28 1.96 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 88 S 9.51 4.30 0.00 3.95 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.88 3.96 0.00 2.10 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 2.38 2.48 0.00 90 M 7.70 4.00 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.72 0.00 91 E 8.10 3.86 0.00 2.13 1.97 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 2.31 2.35 0.00 92 M 8.02 3.81 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.69 0.00 93 L 7.88 3.85 0.00 1.83 1.67 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.22 3.54 2.10 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 0.94 0.00 0.00 0.95 0.00 0.00 95 G 7.90 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 0.00 0.00 0.00 96 K 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4.07 0.00 1.84 1.74 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 151 A 7.49 3.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.31 4.27 0.00 1.93 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 2.19 2.41 0.00 153 K 7.86 3.84 0.00 1.87 1.80 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.51 7.81 154 V 8.09 3.65 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 0.80 0.00 0.00 1.10 0.00 0.00 155 G 8.02 3.80 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 0.00 0.00 0.00 156 G 8.31 3.68 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 0.00 0.00 0.00 157 A 7.85 3.94 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 0.00 158 L 8.36 3.86 0.00 1.77 1.62 0.56 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 159 R 7.71 3.90 0.00 2.14 1.92 0.00 3.22 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 160 R 7.93 4.03 0.00 2.04 1.97 0.00 3.16 0.00 0.00 3.29 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 161 L 7.46 4.13 0.00 1.59 1.62 0.74 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 162 A 7.57 4.01 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 0.00 163 R 7.85 4.09 0.00 1.99 1.97 0.00 3.12 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 164 I 7.08 4.29 1.81 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 2.20 0.89 0.00 0.00 165 G 7.44 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 0.00 166 I 7.43 4.12 2.03 0.00 0.00 1.00 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 1.21 0.89 0.00 0.00 167 I 7.29 5.10 1.77 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.31 1.05 0.00 0.00 168 T 8.15 4.55 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 1.23 0.00 0.00 169 R 8.69 4.28 0.00 1.84 1.95 0.00 3.20 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 170 V 8.04 4.23 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 0.81 0.00 0.00 0.96 0.00 0.00 *177 K 7.74 4.11 0.00 1.66 1.67 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.36 7.81 178 F 7.76 4.89 0.00 3.09 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 0.00 179 I 7.99 5.27 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.77 1.08 0.00 0.00 180 I 8.88 4.31 2.03 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.51 0.58 0.00 0.00 181 S 7.90 4.67 0.00 3.73 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 0.00 182 E 8.41 3.44 0.00 1.84 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 2.47 2.38 0.00 183 A 6.70 2.58 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 0.00 184 V 7.17 3.83 1.79 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 0.97 0.00 0.00 0.86 0.00 0.00 185 F 8.12 4.82 0.00 3.38 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 0.00 186 R 8.79 4.21 0.00 2.05 1.40 0.00 2.96 0.00 0.00 3.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.21 0.00 187 F 8.06 4.72 0.00 3.13 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 0.00 188 G 7.61 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 0.00 189 A 8.19 4.65 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 0.00 190 D 8.51 4.45 0.00 2.69 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 0.00 191 V 8.15 3.76 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 1.16 0.00 0.00 1.02 0.00 0.00 192 R 8.31 4.05 0.00 1.96 2.06 0.00 3.10 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 193 A 8.18 3.97 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 0.00 194 G 8.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 D 7.84 4.76 0.00 2.60 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 0.00 196 D 7.86 4.86 0.00 2.59 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 P 0.00 4.84 0.00 2.42 2.36 0.00 3.84 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 198 R 9.25 3.76 0.00 2.07 1.73 0.00 3.16 0.00 0.00 3.14 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 199 E 9.80 4.04 0.00 2.09 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 2.39 2.38 0.00 200 V 7.33 3.61 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 1.02 0.00 0.00 0.97 0.00 0.00 201 Q 8.27 4.07 0.00 2.57 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.53 2.71 0.00 202 L 7.78 3.79 0.00 1.78 1.57 0.79 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 203 R 8.23 3.87 0.00 1.86 2.08 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 204 L 7.72 3.96 0.00 1.71 1.93 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 205 I 7.68 3.88 1.91 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.89 0.84 0.00 0.00 206 R 7.55 4.20 0.00 1.92 2.06 0.00 3.17 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 207 D 8.17 4.54 0.00 2.76 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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.