NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 Q 4.1822 8.2033 120.9712 55.4588 30.2460 173.8438 13 F 5.1550 8.4759 122.0964 54.4243 41.8251 173.7888 14 L 4.5725 9.5022 122.9242 54.8192 43.3610 176.1725 15 R 5.2331 9.0109 121.6199 54.0958 34.5643 175.3689 16 T 4.2135 8.9220 112.2044 63.2179 69.2443 175.3365 17 D 4.7100 9.3729 122.5701 54.5241 39.8359 174.4035 18 D 4.4883 7.7894 120.0882 54.5706 42.3518 175.0227 19 E 4.9272 8.7846 123.4755 54.9739 31.3387 174.9173 20 V 5.0222 9.1836 120.0265 59.5759 36.5201 174.6483 21 V 4.9302 8.5406 121.6933 61.2795 34.3947 174.2501 22 L 5.1889 8.4619 126.7409 53.4944 43.5189 175.3799 23 Q 5.4724 9.4459 123.2694 54.2824 32.8097 174.3681 24 C 4.6943 8.9552 115.9834 56.8065 33.6916 172.6078 25 T 4.7003 8.0074 116.0651 62.1234 69.7523 174.0918 26 A 3.8621 8.8665 128.1076 50.0727 21.4416 174.8758 27 T 5.0034 8.2460 119.2388 62.0552 70.9514 173.9282 28 I 4.4776 8.2670 126.1751 60.6478 41.1814 174.5191 29 H 4.0944 9.7416 124.5805 57.5979 26.2174 176.3945 30 K 3.8523 8.2395 116.4637 54.9148 29.6068 177.9750 31 E 4.4068 8.0678 119.6924 56.1456 28.8042 174.8404 32 Q 4.6720 8.3277 125.7822 55.4218 30.2719 174.6458 33 Q 4.6025 9.0343 123.0250 54.7681 33.1012 173.2606 34 K 4.8276 8.4348 118.9029 54.8828 34.3411 175.5513 35 L 5.3063 8.8127 124.4569 53.1101 45.5666 175.1248 36 C 5.4062 8.6746 119.2273 57.6454 31.4921 173.1892 37 L 4.6551 9.0371 125.7458 55.2514 42.8814 175.6442 38 A 5.1838 8.7098 126.5508 50.5727 23.0616 174.2237 39 A 4.8441 8.1028 118.4487 51.1276 22.4671 176.4933 40 E 4.5131 9.0383 119.4645 55.2500 30.8877 177.3295 41 G 3.7851 9.2516 112.1550 49.0236 0.0000 174.3865 *42 F 4.8452 8.0593 116.4824 54.5191 42.5271 178.6632 43 G 4.1029 8.3214 105.7129 45.7695 0.0000 175.1529 44 N 4.3605 8.6669 123.6544 53.9034 39.2004 174.6905 45 R 4.3699 8.5944 123.0332 56.6559 30.8704 175.8816 46 L 4.7095 7.7565 118.7835 54.4299 42.3013 176.9710 47 C 4.7380 8.6360 121.2640 60.1326 29.1679 172.7880 48 F 5.1960 8.4243 115.7868 55.6128 41.6812 172.8127 49 L 5.3526 8.8861 116.9967 53.1899 45.0813 176.1655 50 E 4.8825 8.8309 121.8809 54.4317 32.4710 175.8629 51 S 4.7938 8.8845 120.5507 58.9042 63.6672 173.7379 52 T 4.5454 9.5764 113.9261 60.4087 70.6334 172.8280 53 S 3.9271 8.1544 118.7233 57.9121 63.4122 173.1923 *58 V 3.7678 7.4393 121.2424 61.5816 32.0039 173.1208 59 P 4.8789 0.0000 0.0000 61.6457 31.9079 174.2548 60 P 4.1322 0.0000 0.0000 65.4370 31.0769 176.9266 61 D 4.7012 7.9454 124.3858 52.1659 40.9845 176.5293 62 L 3.7771 8.1857 129.1708 57.5607 42.4567 178.6248 63 S 4.3373 7.6425 111.0239 59.2556 63.4425 174.4291 64 I 4.1308 7.2248 114.1845 61.2343 38.1133 176.3055 65 C 4.9405 7.6473 117.2027 59.4746 28.3558 173.0309 66 T 4.6437 7.2775 118.1735 62.3967 69.8087 173.8100 67 F 5.2475 9.1247 124.3410 55.5599 43.4808 173.9954 68 V 4.7216 8.7637 121.3170 61.0628 34.0914 175.0821 69 L 4.3539 8.8655 128.1915 55.1538 40.4485 177.0129 70 E 4.0041 9.4217 126.2877 58.4274 30.5603 176.3559 71 Q 4.7729 7.8619 115.8937 54.4767 34.0012 174.6165 72 S 4.9515 8.7217 115.6410 57.3719 64.6164 172.8757 73 L 5.0678 9.1720 127.4788 52.3414 45.8117 176.9211 74 S 3.9727 8.2587 115.7209 57.9387 63.9247 175.3243 75 V 3.4240 8.4690 121.9122 66.2332 31.0521 178.1815 76 R 3.7976 7.9119 117.7433 59.5199 29.8546 178.4212 77 V 3.4473 7.4600 117.2041 65.7894 31.5489 177.4190 78 L 3.4915 7.7488 120.1537 58.4504 41.7363 179.1486 79 Q 3.8542 8.1643 118.0324 58.5695 28.7044 178.1516 80 E 3.8426 8.4176 120.8931 59.6564 29.4337 178.8844 81 M 4.0075 8.0308 117.6459 58.3298 32.3667 178.5315 82 L 4.0348 7.9445 118.9015 57.6620 41.8137 179.1751 83 A 3.9843 8.1340 120.9573 55.4035 18.0906 179.1252 84 N 4.4904 7.9222 112.6448 55.2155 38.7182 176.5705 85 T 4.3983 7.4757 109.5680 60.9302 69.6217 174.6511 86 V 3.9752 7.3020 125.2607 62.7838 31.9490 175.1625 87 E 4.5122 8.6302 122.4105 58.0783 36.0850 172.2640 *110 H 5.0247 7.9101 118.2394 55.5274 28.2003 177.2088 111 R 4.1163 7.6696 122.6602 57.2971 31.1061 179.1251 112 T 4.5067 8.3539 119.9977 62.8271 69.3418 174.4697 113 L 4.2207 9.1726 126.8411 54.7773 43.1196 176.0823 114 L 5.0974 8.0897 121.6168 52.6382 45.8897 175.7567 115 Y 4.4408 8.6421 121.2156 59.6595 38.2994 177.3994 116 G 4.2970 9.4379 113.4146 46.8466 0.0000 173.5532 117 H 4.6684 8.2289 116.3769 55.8362 30.3597 174.0594 118 A 5.4913 9.6723 123.4705 50.4120 21.3316 176.1129 119 I 5.1850 9.1885 115.9858 58.9758 41.5629 174.1071 120 L 4.5769 8.4533 125.2058 53.1525 44.5671 174.9106 121 L 5.1250 8.5774 126.1694 53.1565 44.1474 175.1698 122 R 4.3617 8.9340 126.3378 54.7833 31.8250 174.8794 123 H 3.9112 8.8440 127.5662 56.2932 30.2131 176.0232 124 S 3.9447 8.4569 123.4438 61.9591 63.0129 175.4671 125 Y 4.2571 7.6326 119.4575 60.6138 38.5841 177.1472 126 S 3.9164 7.9408 111.9536 58.5382 63.7260 175.3120 127 G 3.6875 7.9467 108.0151 45.6184 0.0000 173.0425 128 M 4.4061 7.4496 119.9370 54.3957 34.9140 174.1712 129 Y 5.0544 8.7403 116.9253 55.8362 41.1345 175.6380 130 L 4.6688 8.7580 125.9916 56.0952 43.1291 175.6260 131 C 5.2491 9.7331 120.7228 56.7381 33.7072 172.6046 132 C 4.7822 8.5815 122.0844 58.8185 31.4804 173.3467 133 L 4.5359 8.8945 127.4423 53.7390 42.1166 177.7131 134 S 3.7602 8.6440 115.2789 60.2709 63.4704 174.3053 135 T 4.6359 7.5019 110.4320 59.7677 71.0731 174.0526 136 S 5.3228 8.2923 120.1366 57.6023 65.1338 174.3886 *143 L 4.3656 8.4151 119.0744 54.5649 42.9986 173.0180 144 A 4.2941 7.4720 121.2114 51.0857 20.0252 176.9079 145 F 5.2465 8.2044 120.1032 56.8182 40.9531 175.2643 146 D 4.8802 9.6833 121.8360 54.7360 42.2370 175.4955 147 V 4.8720 8.4015 121.3432 61.6039 34.3412 174.4740 148 G 4.3783 8.9166 114.4145 45.9463 0.0000 171.1469 149 L 5.6843 8.2075 121.1893 53.1330 44.8018 176.3420 150 Q 4.6211 8.9276 119.5941 54.9434 31.9815 175.8072 151 E 4.0356 8.9748 120.2846 59.3614 29.8319 177.2340 152 D 4.5249 8.0385 118.7032 53.9237 41.4448 175.5076 153 T 4.2791 8.3088 115.8671 61.6110 69.2589 175.6738 154 T 4.2958 7.5661 113.4472 58.6534 67.3377 174.1300 155 G 4.0631 7.5347 119.4777 46.4089 0.0000 169.6111 156 E 4.2601 7.9240 117.1668 57.6460 30.2423 179.1078 157 A 4.2512 7.8462 121.2901 54.5959 18.5444 178.3382 158 C 4.7386 7.8682 109.8866 59.2343 28.6865 173.0375 159 W 5.0201 7.9356 120.9863 54.6451 31.8116 175.0134 160 W 5.5306 8.9186 122.4996 55.1115 32.6258 174.8031 161 T 4.7948 9.1909 116.0125 61.5684 70.0746 173.2767 162 I 5.0506 8.4816 124.5648 60.0379 40.2752 174.0136 163 H 5.4410 9.2171 124.9125 53.4578 33.2966 171.3493 164 P 4.4798 0.0000 0.0000 62.3782 31.4109 176.4645 165 A 4.2616 8.1779 123.6995 55.0854 18.9008 178.4973 166 S 4.3306 7.9675 111.1382 58.2631 64.0409 174.9505 167 K 4.1095 8.5225 123.7446 57.6677 31.7363 176.5230 168 Q 4.2030 7.4053 118.6733 56.1898 28.2847 181.2765 169 R 4.2860 8.6006 118.2710 56.0594 30.5411 176.9967 170 S 4.2928 8.1404 111.3148 59.1553 60.7279 171.5438 171 E 4.3457 7.5396 120.8293 57.8958 29.5623 177.6453 172 G 4.0638 9.0982 115.5871 45.2067 0.0000 173.2721 173 E 4.3890 8.0319 119.5935 55.7108 30.9930 176.4733 174 K 4.3913 8.4791 122.1366 56.3913 33.2146 176.8715 175 V 3.5336 8.6725 125.5838 62.6755 32.5629 175.0383 176 R 4.9417 8.7987 126.9892 54.3972 32.2884 176.4424 177 V 3.8060 8.2515 123.4469 64.2727 31.8523 176.0282 178 G 4.1190 8.9963 114.9595 45.7451 0.0000 173.7030 179 D 4.5830 7.8640 119.8795 54.2265 41.5283 175.5013 180 D 4.9361 8.6548 123.2300 53.9298 42.4226 175.2595 181 L 5.2628 9.4727 123.4199 53.1978 45.0731 175.3477 182 I 5.0157 9.2415 123.1039 59.7747 40.0077 174.6529 183 L 5.4790 8.8322 125.0331 53.0639 45.1475 175.2836 184 V 4.7782 8.7674 124.1673 60.6857 34.2091 174.6669 185 S 3.7240 9.2616 123.9780 58.3964 62.5039 174.9147 186 V 3.6070 8.3335 128.5957 66.2796 31.7238 177.6731 187 S 4.4079 8.3576 114.4868 60.3601 63.1240 175.7132 188 S 4.5063 7.5925 112.9333 56.9333 63.8496 174.9261 189 E 3.8112 8.2280 118.6882 56.5733 28.0307 174.6600 190 R 4.2142 7.5524 118.5125 56.1571 31.6765 175.2792 191 Y 5.0667 8.7921 119.2562 56.9128 39.8908 174.9523 192 L 4.5736 9.1007 126.3722 55.8386 42.6906 175.7432 193 H 5.2296 9.6522 126.1584 54.3537 33.6856 171.6385 194 L 4.8706 8.9205 128.2165 54.5280 42.5708 175.6791 195 S 5.0271 9.7831 121.2240 56.6670 65.9228 171.6287 196 Y 4.7322 8.7375 126.2098 54.6338 40.4730 174.1074 197 G 4.1502 8.0825 116.5058 45.6334 0.0000 175.5563 198 N 4.5639 8.7174 121.5592 54.9920 38.6906 175.7583 199 S 4.5429 7.2671 107.0014 57.8620 66.1631 173.2701 200 S 4.4600 6.8818 116.0762 56.5244 66.8655 172.0318 201 W 5.1882 8.4005 121.0480 56.0187 30.4021 175.6662 202 H 5.3589 10.1928 121.3035 54.0564 33.1992 172.3902 203 V 5.2349 8.5914 119.0514 60.4607 33.7518 174.6010 204 D 4.8734 9.2794 121.9735 52.5178 43.5150 173.0505 205 A 5.3837 9.2158 120.8047 50.7735 21.0618 175.6708 206 A 4.7894 9.0415 122.9394 50.4939 22.9636 176.6749 207 F 4.5679 8.7993 116.3366 59.3046 39.3340 176.0054 208 Q 4.6580 7.7701 118.8020 53.8921 31.1212 175.1622 209 Q 4.0257 7.8645 118.7209 55.6192 29.8110 175.7838 210 T 4.6043 8.1093 115.6133 61.7308 72.3684 173.5010 211 L 4.6860 8.1264 124.7188 53.8556 42.9119 176.1112 212 W 4.8066 9.2433 123.3142 54.8550 32.7733 174.4230 213 S 4.7745 9.3926 119.4905 56.9852 63.4670 173.0177 214 V 4.7066 8.5657 128.1015 61.5170 32.2672 174.3667 215 A 4.8494 8.5826 130.2600 49.1877 21.6806 173.8079 216 P 4.7191 0.0000 0.0000 64.1261 32.5600 177.4292 217 I 3.5237 8.1625 118.9946 60.2261 36.2348 174.2945 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 12 Q 8.20 4.18 0.00 1.76 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.26 1.97 0.00 13 F 8.48 5.15 0.00 3.01 2.93 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 0.00 0.00 0.00 0.00 14 L 9.50 4.57 0.00 1.61 1.59 0.91 0.84 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 15 R 9.01 5.23 0.00 1.87 1.95 0.00 3.32 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 16 T 8.92 4.21 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 1.31 0.00 0.00 17 D 9.37 4.71 0.00 2.85 2.90 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 18 D 7.79 4.49 0.00 2.90 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.78 4.93 0.00 2.04 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 20 V 9.18 5.02 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 0.72 0.00 0.00 1.00 0.00 0.00 21 V 8.54 4.93 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 1.02 0.00 0.00 0.99 0.00 0.00 22 L 8.46 5.19 0.00 1.41 1.37 0.54 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 9.45 5.47 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 24 C 8.96 4.69 0.00 2.02 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 25 T 8.01 4.70 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 1.05 0.00 0.00 26 A 8.87 3.86 -0.41 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 27 T 8.25 5.00 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 1.19 0.00 0.00 28 I 8.27 4.48 1.84 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.28 0.88 0.00 0.00 29 H 9.74 4.09 0.00 3.29 3.30 0.00 5.88 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.24 3.85 0.00 1.95 1.82 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.24 1.02 7.81 31 E 8.07 4.41 0.00 2.17 1.99 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 2.32 2.46 0.00 32 Q 8.33 4.67 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 33 Q 9.03 4.60 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.00 2.17 0.00 34 K 8.43 4.83 0.00 1.63 1.68 0.00 1.53 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.34 7.81 35 L 8.81 5.31 0.00 1.42 1.51 0.58 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 36 C 8.67 5.41 0.00 2.87 2.83 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 37 L 9.04 4.66 0.00 1.63 1.42 0.72 0.17 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 38 A 8.71 5.18 0.52 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 39 A 8.10 4.84 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 40 E 9.04 4.51 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 2.58 2.32 0.00 41 G 9.25 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 *42 F 8.06 4.85 0.00 2.27 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 0.00 0.00 0.00 43 G 8.32 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 44 N 8.67 4.36 0.00 2.71 2.78 0.00 0.00 6.82 7.65 0.00 0.00 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 R 8.59 4.37 0.00 1.92 1.98 0.00 3.49 0.00 0.00 3.36 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.61 0.00 46 L 7.76 4.71 0.00 1.75 1.71 0.98 1.23 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 47 C 8.64 4.74 0.00 3.03 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 48 F 8.42 5.20 0.00 3.20 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.89 5.35 0.00 1.66 1.66 1.14 1.03 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 50 E 8.83 4.88 0.00 1.94 1.88 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 2.45 2.29 0.00 51 S 8.88 4.79 0.00 3.79 3.81 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 52 T 9.58 4.55 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 53 S 8.15 3.93 0.00 3.94 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *58 V 7.44 3.77 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 1.08 0.00 0.00 0.92 0.00 0.00 59 P 0.00 4.88 0.00 2.40 2.05 0.00 3.85 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 1.98 1.99 0.00 60 P 0.00 4.13 0.00 2.09 2.17 0.00 3.75 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 61 D 7.95 4.70 0.00 2.70 2.57 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 62 L 8.19 3.78 0.00 1.74 1.61 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.64 4.34 0.00 3.98 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 64 I 7.22 4.13 2.19 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.64 0.72 0.00 0.00 65 C 7.65 4.94 0.00 3.15 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.28 4.64 4.09 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 1.21 0.00 0.00 67 F 9.12 5.25 0.00 2.83 2.83 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 68 V 8.76 4.72 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 1.11 0.00 0.00 0.91 0.00 0.00 69 L 8.87 4.35 0.00 1.66 1.65 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 70 E 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.16 3.85 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.56 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 80 E 8.42 3.84 0.00 1.95 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 0.00 2.25 2.31 0.00 81 M 8.03 4.01 0.00 1.87 2.12 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.51 0.00 82 L 7.94 4.03 0.00 1.57 1.62 0.76 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.13 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.92 4.49 0.00 2.85 2.86 0.00 0.00 7.02 6.90 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 85 T 7.48 4.40 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 1.25 0.00 0.00 86 V 7.30 3.98 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 0.72 0.00 0.00 0.93 0.00 0.00 87 E 8.63 4.51 0.00 1.97 1.76 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 2.13 1.87 0.00 *110 H 7.91 5.02 0.00 2.72 2.97 0.00 7.07 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.67 4.12 0.00 1.49 1.84 0.00 3.22 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.24 0.00 112 T 8.35 4.51 4.09 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 1.05 0.00 0.00 113 L 9.17 4.22 0.00 1.67 1.48 0.93 0.42 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 0.00 114 L 8.09 5.10 0.00 1.19 1.38 0.80 0.83 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 0.00 115 Y 8.64 4.44 0.00 3.24 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 9.44 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 0.00 126 S 7.94 3.92 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 7.95 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 0.00 128 M 7.45 4.41 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 129 Y 8.74 5.05 0.00 2.92 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 0.00 130 L 8.76 4.67 0.00 1.74 1.55 0.74 -0.22 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 0.00 131 C 9.73 5.25 0.00 2.95 3.16 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 0.00 132 C 8.58 4.78 0.00 2.51 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 0.00 133 L 8.89 4.54 0.00 1.74 1.57 0.97 0.85 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 0.00 134 S 8.64 3.76 0.00 3.82 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 0.00 135 T 7.50 4.64 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 1.21 0.00 0.00 136 S 8.29 5.32 0.00 3.96 3.94 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 *143 L 8.42 4.37 0.00 1.69 1.62 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.47 4.29 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 0.00 145 F 8.20 5.25 0.00 3.03 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 0.00 146 D 9.68 4.88 0.00 2.65 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 0.00 147 V 8.40 4.87 2.18 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 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1.44 0.00 3.61 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 1.81 0.85 0.00 165 A 8.18 4.26 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 0.00 166 S 7.97 4.33 0.00 3.96 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 K 8.52 4.11 0.00 1.80 1.77 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.00 7.81 168 Q 7.41 4.20 0.00 2.25 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 169 R 8.60 4.29 0.00 1.72 1.95 0.00 3.37 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.21 0.00 170 S 8.14 4.29 0.00 3.70 3.93 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 0.00 0.00 0.00 0.00 171 E 7.54 4.35 0.00 1.93 1.88 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 2.36 2.37 0.00 172 G 9.10 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 0.00 0.00 0.00 173 E 8.03 4.39 0.00 2.33 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 2.38 2.36 0.00 174 K 8.48 4.39 0.00 1.58 1.54 0.00 1.41 0.00 0.00 0.61 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 1.23 7.81 175 V 8.67 3.53 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.22 0.00 0.00 176 R 8.80 4.94 0.00 2.21 1.75 0.00 3.29 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.77 0.00 177 V 8.25 3.81 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 0.72 0.00 0.00 0.92 0.00 0.00 178 G 9.00 4.12 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 0.00 179 D 7.86 4.58 0.00 2.91 2.83 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 0.00 180 D 8.65 4.94 0.00 2.63 2.61 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 0.00 181 L 9.47 5.26 0.00 1.70 1.71 0.96 0.86 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 0.00 182 I 9.24 5.02 2.09 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 1.13 1.29 0.00 0.00 183 L 8.83 5.48 0.00 1.46 1.55 0.44 0.80 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 0.00 184 V 8.77 4.78 2.22 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 0.93 0.00 0.00 0.94 0.00 0.00 185 S 9.26 3.72 0.00 3.04 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 0.00 186 V 8.33 3.61 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 0.74 0.00 0.00 0.96 0.00 0.00 187 S 8.36 4.41 0.00 3.93 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 0.00 188 S 7.59 4.51 0.00 4.32 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 0.00 189 E 8.23 3.81 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 190 R 7.55 4.21 0.00 1.78 1.94 0.00 2.40 0.00 0.00 2.85 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 191 Y 8.79 5.07 0.00 3.25 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 0.00 192 L 9.10 4.57 0.00 1.23 1.41 0.31 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 193 H 9.65 5.23 0.00 3.58 3.57 0.00 5.82 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 L 8.92 4.87 0.00 1.38 1.41 1.03 0.41 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 0.00 195 S 9.78 5.03 0.00 4.14 3.81 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 0.00 196 Y 8.74 4.73 0.00 2.20 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 0.00 197 G 8.08 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 0.00 198 N 8.72 4.56 0.00 2.64 2.83 0.00 0.00 6.53 7.57 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 0.00 199 S 7.27 4.54 0.00 3.86 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 0.00 200 S 6.88 4.46 0.00 3.64 3.53 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 0.00 201 W 8.40 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 0.00 202 H 10.19 5.36 0.00 3.03 3.24 0.00 5.55 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 V 8.59 5.23 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 0.86 0.00 0.00 1.03 0.00 0.00 204 D 9.28 4.87 0.00 3.07 2.92 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 0.00 205 A 9.22 5.38 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 A 9.04 4.79 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 0.00 207 F 8.80 4.57 0.00 3.13 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 Q 7.77 4.66 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 209 Q 7.86 4.03 0.00 1.79 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 210 T 8.11 4.60 4.58 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 0.48 0.00 0.00 211 L 8.13 4.69 0.00 1.37 1.54 0.88 0.86 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 0.00 212 W 9.24 4.81 0.00 3.23 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 0.00 213 S 9.39 4.77 0.00 3.85 3.76 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 0.00 214 V 8.57 4.71 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 0.92 0.00 0.00 215 A 8.58 4.85 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 P 0.00 4.72 0.00 1.95 2.00 0.00 3.68 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 2.02 2.10 0.00 217 I 8.16 3.52 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.48 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.