NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3286 8.1233 122.4676 51.2414 19.8917 173.8445 3 E 4.0622 8.6704 118.8092 55.6500 29.9881 174.6040 4 I 4.8514 8.2908 118.3383 57.8182 42.0292 173.0128 5 P 4.6601 0.0000 0.0000 63.1780 32.5490 174.7831 6 L 5.3208 9.0338 121.8757 53.2377 44.2195 176.4557 7 F 4.8203 9.7101 126.5812 55.5235 40.1385 172.1075 8 P 5.3850 0.0000 0.0000 61.9377 32.2618 175.2385 9 L 5.2130 8.3096 121.4000 52.8993 46.1577 177.6418 10 S 4.2319 9.6756 115.2833 60.2461 63.2426 173.9796 11 N 5.0048 7.7606 117.9456 51.3977 41.8569 173.1484 12 A 4.2816 8.4420 125.8583 51.3057 19.8269 176.5119 13 L 4.6762 7.9917 122.3305 53.3372 43.8577 175.8694 14 F 4.8191 8.4729 123.1370 54.4556 42.1492 172.8982 15 P 4.3996 0.0000 0.0000 64.5578 31.4089 176.7491 16 A 3.8011 9.0679 124.3424 52.3309 17.4265 178.0563 17 G 3.8746 8.1501 104.6941 45.6680 0.0000 173.6508 18 V 4.4335 8.1866 122.4647 62.1374 33.2519 175.6852 19 L 4.2063 8.4235 128.3050 54.6432 45.0572 174.3414 20 R 5.0100 8.5152 126.9638 54.3222 30.8469 176.3884 21 L 4.4732 8.3434 124.2506 53.8627 44.3458 176.4388 22 R 5.0940 8.2820 120.5729 55.3130 31.6601 173.8313 23 V 4.2854 8.8628 119.6468 60.4754 32.7043 176.9612 24 F 5.0980 7.7295 115.9149 55.6487 40.3563 175.3912 25 E 4.1014 7.2532 121.6701 55.7305 31.1219 177.4377 26 I 3.4978 8.1386 124.1052 64.3161 36.9994 178.7819 27 R 3.5101 7.4261 115.2090 59.6222 29.1413 178.0371 28 Y 4.1598 6.9290 115.2429 59.6393 38.3761 177.5818 29 L 4.1362 7.9439 120.8402 57.7351 41.7655 179.5892 30 D 4.2971 7.8066 116.0274 55.0027 40.5405 178.3643 *32 V 3.8953 7.7464 121.8116 63.0075 33.5004 177.7775 33 R 3.7035 7.7618 118.4134 59.0236 29.3598 178.9552 34 R 3.8106 7.7596 117.6951 59.7972 30.0987 178.8562 35 C 4.1213 8.0822 115.5245 62.8560 27.8247 176.3930 36 I 3.5418 7.2120 120.4176 64.0636 36.6879 177.7399 37 A 4.2164 7.5808 120.1880 54.3690 18.7673 178.2482 38 D 4.2961 8.9060 117.0625 57.8235 41.3795 177.2091 39 G 4.1049 8.2216 106.0125 45.4928 0.0000 173.9434 40 S 4.4231 7.5328 113.2107 57.9737 63.7561 172.8942 41 E 4.7996 8.4189 118.2567 54.4049 31.8346 174.8909 42 F 4.8888 7.8592 114.7899 55.4383 40.8744 174.7098 43 G 4.0406 8.9178 106.0773 44.5428 0.0000 172.9269 44 V 5.2346 8.7115 123.3206 60.1123 34.2744 174.7182 45 V 4.8335 8.3538 120.3871 59.1179 35.8779 175.6312 46 V 4.1912 8.2458 123.7743 61.8220 32.9170 175.2333 47 L 4.3529 8.8049 123.6381 53.8134 41.9385 177.0847 48 E 3.9645 8.9124 125.9537 57.7240 30.2453 176.1937 49 Q 4.4092 8.0518 117.6554 57.2538 33.2327 174.4099 50 G 4.3280 9.1670 109.7666 45.7209 0.0000 172.6675 51 T 4.4786 8.0212 109.5619 60.2512 70.5520 174.3378 52 E 4.4939 8.6537 117.6918 56.8315 30.5256 176.7950 53 V 4.3502 8.1423 117.8919 64.4726 33.1944 176.2080 54 R 3.9890 7.8327 111.6907 56.6262 28.0832 175.9549 55 R 4.0618 7.9171 121.3667 59.2878 30.8433 176.8766 56 P 4.6073 0.0000 0.0000 63.6607 32.5468 176.5554 57 D 4.6809 7.9611 118.4491 56.4331 40.8740 174.0875 58 G 3.9151 8.1117 113.5081 47.3639 0.0000 175.2844 59 R 4.4084 8.0970 126.4765 55.4958 28.6224 173.9876 60 E 4.8250 8.5597 119.9433 54.1956 32.5413 175.3740 61 V 4.1793 8.1634 123.9904 61.1132 33.3233 174.4666 62 L 4.6284 8.1059 127.8689 53.4226 42.6038 176.7340 63 A 4.2387 8.2046 125.2145 52.1518 18.9250 177.8702 64 R 4.1052 8.5286 114.1818 56.6845 30.2986 176.0462 65 A 4.4830 7.1486 119.2831 50.6917 22.7206 174.9153 66 G 3.2802 7.1543 105.0866 45.7323 0.0000 171.9496 67 T 4.8048 7.9802 117.1915 62.7135 72.8733 173.9864 *69 A 4.2813 8.5084 127.5506 52.7641 20.3701 175.5405 70 R 4.5311 8.6874 123.7350 54.6068 32.3110 175.1364 71 I 4.1736 8.4081 127.5467 61.4788 37.3536 175.0423 72 D 4.7996 8.5374 129.8257 56.0539 40.7965 176.1308 73 H 5.2233 7.7616 112.2043 53.8248 32.7188 171.1779 74 W 5.6374 8.1308 115.3577 55.3926 31.8104 173.5576 75 E 4.8060 9.0393 117.6350 55.5354 34.1024 174.4447 76 A 5.6442 8.7443 123.1341 47.9522 18.6632 174.2750 77 P 4.2021 0.0000 0.0000 64.3166 32.1856 175.8263 *79 P 4.0431 0.0000 0.0000 63.6137 32.1113 176.0988 80 A 4.0428 8.9409 121.3052 52.7742 15.8626 176.9928 81 L 4.9915 7.4777 118.2740 55.3115 46.1484 174.5833 82 L 5.1792 8.9041 125.3431 53.0778 45.3088 175.1275 83 E 5.0402 9.1915 123.8626 54.9953 31.3026 175.5281 84 L 5.1200 9.1189 124.6067 52.8630 45.0426 176.3263 85 A 5.0394 7.8524 118.9865 51.1932 18.9030 175.3384 86 C 4.9050 8.8689 121.4524 59.1862 30.6649 173.7940 87 T 4.9309 8.9061 116.6756 61.5459 72.1256 174.0931 88 G 3.9898 9.1770 113.8739 45.3758 0.0000 171.8058 89 T 5.1257 8.4368 116.9739 61.8909 67.4041 176.8637 90 G 3.8018 8.7926 107.9831 44.9981 0.0000 172.7722 91 R 4.6244 8.3963 120.3120 55.6340 31.7873 174.9684 92 F 5.3240 8.8452 115.1394 55.0306 42.0903 173.7856 93 R 4.7202 8.2045 116.9992 53.6868 28.4565 174.4781 94 L 3.9879 8.2473 121.5453 57.5505 43.0816 174.1610 95 H 4.3613 8.9647 120.5165 55.9415 28.6189 176.4912 96 A 4.4802 9.3358 135.0000 52.4366 19.4719 178.2189 97 C 4.9939 8.7530 116.1149 57.5879 32.8910 172.9885 98 T 4.8151 9.7036 114.8483 60.4486 71.2197 172.3839 99 Q 4.0582 8.3856 126.1872 53.6621 29.8881 175.4431 100 G 3.9759 8.3899 127.0700 45.3507 0.0000 172.4211 101 K 3.9080 8.3817 124.4596 57.3232 32.8196 177.2842 102 Y 3.3501 8.7211 120.4719 58.3381 35.6238 170.3758 103 G 3.4861 7.5050 106.4381 45.3510 0.0000 173.4282 104 L 3.9550 7.5979 122.7621 53.9024 42.6930 176.5028 105 W 4.8029 8.7088 126.9530 57.4900 30.4635 175.2359 106 T 5.0793 9.2817 116.3625 61.5952 71.0054 172.4349 107 G 4.2856 8.4832 111.6093 45.3362 0.0000 172.4403 108 Q 4.7620 8.4784 120.6790 55.3755 29.7768 175.0226 109 A 4.8618 8.3577 126.1965 50.0576 21.8866 174.9771 110 E 4.5259 8.8809 122.7023 54.3383 30.9798 174.5688 111 P 4.9564 0.0000 0.0000 63.4090 32.3660 176.3121 112 V 4.2885 8.5091 119.1814 60.6083 33.2496 172.6384 113 P 4.2090 0.0000 0.0000 62.1248 32.0150 176.3593 114 D 4.5366 8.5467 121.6175 54.4875 41.4109 176.0728 115 D 4.6414 8.3992 121.3864 52.1831 40.7283 176.1813 116 A 4.1199 8.3758 124.4887 51.2543 19.0080 175.8790 117 P 4.3710 0.0000 0.0000 63.0145 32.0052 175.6178 118 L 4.9267 8.3272 119.9520 52.9134 45.5659 175.1430 119 E 4.8434 8.5851 120.0115 55.0864 31.2289 176.5737 120 V 4.0189 8.3202 123.6416 60.4705 32.1884 174.4299 121 P 4.4807 0.0000 0.0000 61.6771 31.8283 175.3294 122 P 4.4912 0.0000 0.0000 64.2672 31.3826 176.8277 123 E 4.2844 7.9809 116.2205 57.6000 29.8619 176.7822 124 L 4.7842 7.9855 119.0652 53.8603 43.6001 178.3136 125 A 3.8362 8.2237 124.2774 54.8428 18.1551 180.2505 126 R 3.8543 8.0787 114.5468 59.9382 29.1951 178.8879 127 S 4.1147 8.0644 115.5169 61.0757 62.9682 176.3362 128 A 4.2227 7.6770 122.9543 55.5212 17.8559 179.6438 129 S 4.1076 8.5894 110.9338 61.1021 62.7457 176.0609 130 A 4.1959 8.5554 124.1269 55.0602 18.2846 179.0128 131 L 3.7153 8.8776 119.2077 58.5195 42.1988 179.4509 132 G 3.6936 8.2617 105.3023 47.8976 0.0000 175.5450 133 R 3.9095 8.0436 120.7801 59.0589 30.2129 178.5482 134 L 3.8778 7.6565 118.2865 58.0203 41.7580 179.3572 135 I 3.5091 7.5758 119.3379 64.1217 36.8384 178.2563 136 A 3.9136 7.7477 121.4258 55.2304 18.1930 179.6930 137 R 3.7561 7.7358 116.6749 59.3868 30.1556 178.3462 138 L 3.9435 7.6691 118.4969 58.2090 41.7658 179.7365 139 Q 3.9885 8.0509 117.4375 59.0653 28.4835 178.7484 140 R 3.8976 8.3532 118.8997 59.3026 30.1492 177.5472 141 E 4.1771 8.7926 117.6950 56.1557 30.6965 175.5659 142 G 3.5485 7.8141 105.4839 46.2546 0.0000 174.6908 143 V 3.8607 7.7107 117.8487 61.0980 32.3232 173.9484 144 P 4.4621 0.0000 0.0000 62.0011 31.9451 175.5122 145 P 4.2798 0.0000 0.0000 66.2073 31.2588 177.5397 146 H 4.5730 8.1919 109.5047 56.2882 28.3353 175.6032 147 I 4.3012 7.4891 122.0075 58.9826 37.2326 173.2861 *149 P 4.0382 0.0000 0.0000 62.1121 32.6624 176.9346 *151 A 4.1317 7.8548 119.8709 52.5396 19.6819 177.6405 152 A 3.4718 8.5789 121.8605 54.8198 18.3007 176.5875 153 P 4.1441 0.0000 0.0000 63.1464 30.2006 176.1710 154 F 4.5232 7.4339 122.7856 56.4495 37.5971 176.9744 155 R 3.8130 5.8400 128.6547 54.7181 29.4735 178.6170 156 L 4.0500 7.4386 119.1792 57.7990 42.5885 178.4613 157 D 4.7291 7.1237 118.9966 52.5243 40.3930 176.2856 158 D 5.4784 7.4405 118.6741 52.0968 44.5139 174.1793 159 C 4.1592 8.9087 125.3614 63.1777 28.0328 175.9748 160 G 3.8578 8.2483 106.0630 47.9758 0.0000 174.5348 161 W 4.2007 8.4188 130.8288 60.1689 30.7728 177.8740 162 V 3.7180 8.2663 117.5618 66.2458 30.9066 177.8917 163 A 4.1265 8.2412 120.3349 55.1676 18.3180 179.3342 164 D 3.8007 8.3429 117.9467 57.1435 40.5879 178.9538 165 R 3.5382 7.1896 118.1230 59.0801 30.0894 178.3688 166 W 4.2290 7.4903 116.5685 59.7577 29.1623 178.2268 167 A 4.1304 7.9803 119.7720 54.8211 17.4576 179.0745 168 E 3.8930 7.1439 113.4986 56.6617 29.1407 176.2293 *170 L 4.2851 7.3156 118.5930 54.6271 42.7839 178.2032 171 S 4.4709 8.5702 119.4254 58.2621 60.6058 173.1268 172 L 4.8580 7.6790 123.2213 51.2902 44.9262 174.9063 173 P 4.3738 0.0000 0.0000 62.1773 32.0427 175.3229 174 P 4.2072 0.0000 0.0000 66.4282 30.9443 178.4548 175 A 3.9971 8.0551 119.7678 54.8542 18.0675 179.1148 176 D 4.3664 8.1418 117.4603 57.0892 41.1034 178.7984 177 K 4.0392 7.9594 119.5570 59.4940 32.4060 178.5922 178 A 3.8183 7.9858 121.1796 54.8323 18.1559 179.7035 179 R 3.8809 7.4741 116.6245 59.5614 30.0070 178.5349 180 L 4.0104 7.9435 117.8194 57.9205 41.7108 178.8839 181 L 4.1398 7.6416 118.9517 58.1417 41.9641 178.6761 182 L 4.1540 7.1755 116.4537 56.2581 42.2211 177.7498 183 L 4.0737 7.4827 117.8730 54.1970 42.4922 176.0173 184 P 4.4610 0.0000 0.0000 62.1440 33.1421 175.2162 185 P 4.2200 0.0000 0.0000 66.7387 30.8023 177.7342 186 L 3.8809 8.0493 120.0095 57.8716 41.8932 178.3185 187 D 4.3773 8.2052 117.8004 57.6584 40.8821 179.2599 188 R 3.8615 8.0096 118.8830 59.3864 30.1326 178.3898 189 L 4.0028 8.0137 120.1617 58.0139 42.0034 178.9218 190 R 3.8947 8.1880 118.1970 59.4829 29.8679 178.7624 191 E 3.9422 7.8767 116.9034 59.5175 29.8277 179.3864 192 I 3.7821 7.6526 112.4685 63.7423 37.6873 177.7991 193 D 4.1471 8.1332 119.9572 56.9625 40.8822 177.3724 194 A 4.2044 7.8709 118.3040 53.2290 18.3899 178.3074 195 V 3.9944 7.2689 116.5013 64.3763 32.7306 177.3992 196 L 3.8721 7.6073 117.1517 55.8004 41.9334 176.9963 197 A 4.4379 6.9278 119.8839 50.1056 20.4584 177.4456 198 A 4.1594 8.1416 123.6021 52.2455 16.8213 177.3961 199 D 4.4094 8.6661 120.7194 57.3430 41.8803 178.5372 200 G 4.1147 7.6185 105.7213 45.2458 0.0000 172.5279 201 H 4.2999 8.2542 120.6309 56.0970 28.7536 175.3563 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 A 8.12 4.33 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 3 E 8.67 4.06 0.00 1.95 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 2.34 2.38 0.00 4 I 8.29 4.85 1.80 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.99 0.86 0.00 0.00 5 P 0.00 4.66 0.00 2.25 2.27 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.09 0.00 6 L 9.03 5.32 0.00 1.78 1.78 1.04 0.70 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 7 F 9.71 4.82 0.00 3.07 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 8 P 0.00 5.39 0.00 2.09 1.94 0.00 4.07 0.00 0.00 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 9 L 8.31 5.21 0.00 1.64 1.48 0.68 0.74 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 10 S 9.68 4.23 0.00 3.96 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 0.00 11 N 7.76 5.00 0.00 2.65 2.69 0.00 0.00 6.95 7.96 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 12 A 8.44 4.28 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 13 L 7.99 4.68 0.00 1.53 1.46 0.92 0.61 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 14 F 8.47 4.82 0.00 3.16 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 15 P 0.00 4.40 0.00 2.10 2.07 0.00 3.92 0.00 0.00 3.65 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 16 A 9.07 3.80 1.51 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 0.00 0.00 17 G 8.15 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 18 V 8.19 4.43 2.29 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 0.79 0.00 0.00 0.97 0.00 0.00 19 L 8.42 4.21 0.00 1.72 1.45 0.88 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.52 5.01 0.00 1.74 1.89 0.00 3.31 0.00 0.00 2.25 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 21 L 8.34 4.47 0.00 1.55 1.50 0.54 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.28 5.09 0.00 1.93 1.94 0.00 3.26 0.00 0.00 3.24 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 23 V 8.86 4.29 2.14 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 0.98 0.00 0.00 0.98 0.00 0.00 24 F 7.73 5.10 0.00 3.17 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 25 E 7.25 4.10 0.00 1.76 1.56 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 2.29 2.24 0.00 26 I 8.14 3.50 1.61 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 1.54 0.58 0.13 0.00 0.00 27 R 7.43 3.51 0.00 1.49 1.94 0.00 2.21 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.00 28 Y 6.93 4.16 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 29 L 7.94 4.14 0.00 1.70 1.60 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.81 4.30 0.00 2.42 2.52 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 *32 V 7.75 3.90 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 0.92 0.00 0.00 0.81 0.00 0.00 33 R 7.76 3.70 0.00 1.95 1.81 0.00 3.09 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.75 0.00 34 R 7.76 3.81 0.00 1.98 1.96 0.00 3.15 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 35 C 8.08 4.12 0.00 3.16 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 36 I 7.21 3.54 1.62 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 0.96 0.46 -0.36 0.00 0.00 37 A 7.58 4.22 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 38 D 8.91 4.30 0.00 2.71 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 39 G 8.22 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 40 S 7.53 4.42 0.00 4.04 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0.00 4.37 0.00 2.20 2.10 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 118 L 8.33 4.93 0.00 1.66 1.59 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.59 4.84 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 2.43 2.30 0.00 120 V 8.32 4.02 2.14 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 0.79 0.00 0.00 0.97 0.00 0.00 121 P 0.00 4.48 0.00 2.34 2.23 0.00 3.72 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 122 P 0.00 4.49 0.00 2.20 2.22 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 123 E 7.98 4.28 0.00 2.10 2.11 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 2.26 2.33 0.00 124 L 7.99 4.78 0.00 1.71 1.63 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.22 3.84 1.38 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 0.00 0.00 0.00 0.00 0.00 126 R 8.08 3.85 0.00 1.99 2.21 0.00 3.13 0.00 0.00 3.41 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 127 S 8.06 4.11 0.00 3.93 4.07 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 0.00 0.00 0.00 0.00 128 A 7.68 4.22 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 0.00 129 S 8.59 4.11 0.00 4.00 4.05 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 0.00 130 A 8.56 4.20 1.70 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 0.00 131 L 8.88 3.72 0.00 1.75 1.92 0.28 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 132 G 8.26 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.04 3.91 0.00 2.20 2.01 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 134 L 7.66 3.88 0.00 1.75 1.52 0.45 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 135 I 7.58 3.51 1.52 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 1.17 0.72 -0.03 0.00 0.00 136 A 7.75 3.91 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 0.00 137 R 7.74 3.76 0.00 1.84 1.91 0.00 3.11 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 138 L 7.67 3.94 0.00 1.93 1.72 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 8.05 3.99 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.78 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 140 R 8.35 3.90 0.00 1.79 2.17 0.00 3.30 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 141 E 8.79 4.18 0.00 2.12 1.95 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 2.30 2.36 0.00 142 G 7.81 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 V 7.71 3.86 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 0.82 0.00 0.00 0.99 0.00 0.00 144 P 0.00 4.46 0.00 2.30 1.92 0.00 3.72 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 2.18 2.14 0.00 145 P 0.00 4.28 0.00 2.03 2.14 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 146 H 8.19 4.57 0.00 3.26 3.40 0.00 5.48 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.49 4.30 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.63 0.91 0.00 0.00 *149 P 0.00 4.04 0.00 2.13 2.14 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.91 0.00 *151 A 7.85 4.13 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 0.00 152 A 8.58 3.47 1.09 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 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.14 0.00 2.03 1.96 0.00 3.66 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 154 F 7.43 4.52 0.00 2.91 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 0.00 155 R 5.84 3.81 0.00 0.67 1.41 0.00 3.01 0.00 0.00 3.05 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.16 0.00 156 L 7.44 4.05 0.00 1.59 1.78 0.88 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 157 D 7.12 4.73 0.00 2.53 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.44 5.48 0.00 2.68 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 0.00 159 C 8.91 4.16 0.00 3.06 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 0.00 160 G 8.25 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 0.00 161 W 8.42 4.20 0.00 3.62 3.32 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 0.00 162 V 8.27 3.72 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 1.18 0.00 0.00 1.29 0.00 0.00 163 A 8.24 4.13 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 0.00 164 D 8.34 3.80 0.00 2.55 2.45 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 0.00 0.00 0.00 0.00 165 R 7.19 3.54 0.00 1.08 1.37 0.00 2.91 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.22 0.00 166 W 7.49 4.23 0.00 3.23 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 0.00 167 A 7.98 4.13 1.02 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 0.00 0.00 168 E 7.14 3.89 0.00 2.06 1.83 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 2.27 1.87 0.00 *170 L 7.32 4.29 0.00 1.74 1.68 0.86 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 171 S 8.57 4.47 0.00 3.87 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 0.00 172 L 7.68 4.86 0.00 1.63 1.56 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 173 P 0.00 4.37 0.00 2.21 2.19 0.00 3.72 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 2.14 1.96 0.00 174 P 0.00 4.21 0.00 2.26 2.36 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 175 A 8.06 4.00 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 0.00 176 D 8.14 4.37 0.00 3.02 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 0.00 177 K 7.96 4.04 0.00 1.99 1.81 0.00 1.90 0.00 0.00 1.91 0.00 0.00 3.35 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.75 2.09 7.81 178 A 7.99 3.82 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 0.00 179 R 7.47 3.88 0.00 2.00 2.09 0.00 3.11 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 180 L 7.94 4.01 0.00 1.98 1.85 0.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 181 L 7.64 4.14 0.00 1.34 1.71 0.62 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 182 L 7.18 4.15 0.00 1.76 1.67 0.78 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 183 L 7.48 4.07 0.00 1.72 1.65 0.92 0.96 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 0.00 184 P 0.00 4.46 0.00 2.27 2.20 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 185 P 0.00 4.22 0.00 2.33 2.42 0.00 3.74 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 2.11 2.08 0.00 186 L 8.05 3.88 0.00 1.79 1.71 0.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 187 D 8.21 4.38 0.00 2.81 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 0.00 188 R 8.01 3.86 0.00 2.05 2.19 0.00 3.18 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 189 L 8.01 4.00 0.00 1.81 1.78 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 190 R 8.19 3.89 0.00 2.07 1.96 0.00 3.19 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 191 E 7.88 3.94 0.00 1.95 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 2.34 2.60 0.00 192 I 7.65 3.78 1.74 0.00 0.00 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 1.56 0.65 0.91 0.00 0.00 193 D 8.13 4.15 0.00 2.94 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 A 7.87 4.20 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 0.00 195 V 7.27 3.99 2.11 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 0.81 0.00 0.00 0.91 0.00 0.00 196 L 7.61 3.87 0.00 1.33 1.32 -0.43 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 197 A 6.93 4.44 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 A 8.14 4.16 1.20 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 0.00 0.00 199 D 8.67 4.41 0.00 2.72 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 0.00 200 G 7.62 4.11 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 0.00 0.00 0.00 201 H 8.25 4.30 0.00 3.26 3.32 0.00 5.93 0.00 0.00 0.00 0.00 6.91 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.