NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2826 8.2549 120.8629 55.4993 30.7092 175.1540 5 K 3.8845 8.6976 125.6959 55.5962 32.6737 174.6228 6 P 4.3242 0.0000 0.0000 63.2240 33.6818 174.7631 7 I 4.7627 8.2763 123.5885 59.7924 39.6458 174.3266 8 I 4.6033 9.1774 129.1992 59.5350 39.1421 175.2581 9 G 4.2360 8.9213 115.1529 44.6791 0.0000 172.6421 10 V 5.1591 8.2881 123.1509 61.1098 34.3198 174.4380 11 M 4.8673 9.0603 126.6653 54.2333 35.9777 173.7686 12 G 4.5345 8.3013 109.8285 44.5469 0.0000 171.0164 13 P 4.5821 0.0000 0.0000 62.4439 32.7381 176.4987 14 G 4.0263 8.9688 110.1005 45.2514 0.0000 175.0036 15 K 4.2666 7.6817 117.9254 59.3566 33.3696 176.8186 16 A 4.2069 7.8098 122.4932 53.8559 19.1427 176.9778 17 D 5.0312 7.5701 115.5127 53.3927 41.3519 177.4322 18 T 4.4414 7.5962 114.4160 61.7620 72.2063 174.5632 19 A 4.2414 8.4227 129.6673 51.6890 19.2994 178.1332 20 E 4.0551 8.8144 120.4002 59.3640 29.3837 179.5669 21 N 4.3587 8.1904 116.8385 56.2304 37.1478 177.1609 22 Q 4.0001 8.1207 120.2066 58.5019 28.7172 178.5251 23 L 3.9989 7.7692 119.8552 57.5238 41.7461 179.4486 24 V 3.5628 7.7946 118.2494 66.3263 31.4559 177.9989 25 M 4.0560 8.2910 118.3560 58.2299 31.7100 178.5309 26 A 3.9720 8.2895 121.1888 55.3522 18.5310 179.2029 27 N 4.3712 8.3224 115.5990 56.7579 38.9935 176.7378 28 E 3.8925 8.3136 120.7617 58.9883 29.7993 178.2654 29 L 4.0494 8.2219 120.7840 58.2887 42.1397 178.7611 30 G 3.8916 8.3203 105.8186 48.1234 0.0000 175.1343 31 K 3.9636 8.2835 121.7412 59.4710 32.3085 179.2727 32 Q 4.1286 8.1354 117.2675 58.1836 28.7665 178.6519 33 I 3.8237 8.3638 121.4495 64.3574 37.1230 178.2415 34 A 3.9770 7.9921 121.5215 55.5528 18.0222 179.7517 35 T 3.6888 7.9390 113.4438 66.8503 68.5214 175.5875 36 H 4.0605 7.3341 115.0900 55.0690 28.4727 175.7002 37 G 3.8206 7.7206 108.9498 46.0708 0.0000 173.5892 38 W 5.2408 7.4826 117.8027 54.7775 31.4388 176.0653 39 I 4.3387 8.6992 124.0848 60.9054 38.3649 174.6584 40 L 4.8717 8.6049 129.0625 53.9222 43.8856 174.7404 41 L 5.1804 8.7504 128.4266 53.7281 44.7078 175.0937 42 T 4.8760 8.9943 120.4198 60.8527 71.5871 172.3394 43 G 3.8736 8.7053 110.2317 46.0995 0.0000 173.8241 44 G 4.2126 9.1204 110.5237 46.1106 0.0000 175.3439 45 R 4.2903 8.1515 118.1628 55.9391 30.5208 176.2234 46 S 3.6000 8.0093 111.2707 59.7080 60.6024 171.6461 47 L 4.6424 7.4544 116.8103 55.3900 46.2967 181.1010 48 G 4.1875 7.4803 110.4938 45.4283 0.0000 175.9324 49 V 3.5409 8.4579 121.8881 66.5147 31.2107 177.8168 50 M 4.0968 7.9820 117.6261 58.4226 31.9562 177.9780 51 H 4.1803 8.1945 117.8912 59.3880 30.0575 176.7087 52 E 3.8437 7.9978 119.5729 59.4678 29.2887 179.2208 53 A 4.1783 8.0176 120.4026 55.5619 18.4730 179.4895 54 M 3.9867 8.1213 116.9955 58.5168 31.9879 178.9322 55 K 3.9516 8.4965 118.9827 59.5293 32.1389 179.4301 56 G 3.6038 8.2645 105.5441 47.8890 0.0000 175.5319 57 A 4.1337 8.3599 124.1532 54.5833 18.3759 179.7225 58 K 3.8668 8.1927 118.1788 59.6051 32.1142 178.5531 59 E 3.9430 8.3343 118.6406 58.8144 29.4947 177.7168 60 A 4.5374 7.4556 118.0679 51.5992 19.2791 177.6884 61 G 3.8682 8.0048 106.9347 45.3108 0.0000 174.5030 62 G 3.9095 8.2272 106.8319 46.1894 0.0000 173.5856 63 T 4.9692 8.3956 117.5663 62.3798 70.6651 174.0473 64 T 5.1390 9.1746 115.8711 59.9301 72.3774 172.8956 65 I 4.9479 9.0746 124.2730 59.5403 40.9598 174.5303 66 G 4.3500 9.1659 115.0757 44.3523 0.0000 172.2744 67 V 4.6055 8.7055 127.9822 62.1380 32.9068 175.0199 68 L 5.1424 8.9831 127.4176 52.5075 45.7445 175.8933 69 P 4.3575 0.0000 0.0000 65.0323 32.4343 176.1295 70 G 4.1114 7.5676 106.0027 42.9897 0.0000 169.2745 71 P 4.0817 0.0000 0.0000 62.9893 29.9853 176.9781 72 D 4.7134 8.2313 127.6433 53.9886 37.5783 175.8778 73 T 4.2454 7.4987 111.0511 61.1035 68.8309 176.5940 *76 I 4.5414 7.7584 122.1398 61.3834 37.8297 175.2830 77 S 4.3288 8.0824 121.2145 58.0508 63.4286 175.5748 78 D 4.5251 8.5615 120.4212 56.0599 40.8118 177.6238 79 A 4.0868 7.9373 121.5938 54.0815 18.6467 177.6408 80 V 3.9715 7.3847 116.0981 62.6228 32.3660 175.1724 81 D 4.6162 8.6538 127.0988 56.1270 42.0546 176.8564 82 I 4.4059 7.7187 121.9374 58.8063 39.6230 172.8084 83 P 4.9726 0.0000 0.0000 61.9723 32.3030 176.0819 84 I 4.2257 8.9501 127.0075 59.9589 38.5093 174.9824 85 V 4.6287 8.3255 128.4351 61.9575 31.7844 175.4520 86 T 4.1929 9.3843 119.3100 61.7251 70.2793 177.0065 87 G 4.0368 9.0684 109.7841 45.1244 0.0000 173.5628 88 L 4.4867 7.3743 120.0207 53.9155 43.6185 175.2672 89 G 4.0054 8.3156 110.4793 45.3258 0.0000 173.4005 90 S 4.7593 8.6608 111.2653 57.5919 63.1519 175.0073 91 A 4.1765 8.2166 125.5483 55.2892 18.2406 177.7484 92 R 4.7847 7.7397 115.2988 56.3951 32.6625 176.3587 93 D 4.8782 9.0967 121.1069 54.8828 38.3239 173.3567 94 N 4.8549 7.8060 117.3295 51.6283 39.3507 175.7510 95 I 4.8989 7.8953 115.8943 59.1093 37.4830 175.8488 96 N 4.5807 7.8148 116.0715 54.6744 39.3256 176.9584 97 A 4.4522 7.4383 119.7350 52.7353 17.8052 178.3016 98 L 4.4311 7.7484 117.1884 56.6460 42.1704 177.6522 99 S 4.4994 8.3376 115.3867 59.7775 63.5015 175.2862 100 S 4.4736 7.6895 116.0177 58.3782 63.3942 174.7096 101 N 4.4245 9.2696 122.3896 55.8115 38.8747 175.8504 102 V 4.4681 7.4653 116.4197 60.9415 35.7456 173.9879 103 L 5.1309 8.3577 124.8412 52.8997 44.6822 175.5538 104 V 4.7779 9.3229 123.5811 61.0413 34.3400 174.0441 105 A 4.8280 8.9169 130.7259 51.0685 20.4266 176.0420 106 V 4.5807 8.5316 122.7733 62.3285 33.4340 176.2815 107 G 3.8742 10.2211 119.3516 44.8570 0.0000 170.9488 108 M 4.3766 7.5307 114.3978 54.9208 34.7562 174.2694 109 G 3.9914 8.0527 111.7389 43.5899 0.0000 172.3278 110 P 4.3429 0.0000 0.0000 65.7816 31.2663 179.0260 111 G 3.8818 8.1315 103.5441 48.0482 0.0000 175.5981 112 T 3.8796 7.9033 117.5484 66.1246 68.4966 176.3298 113 A 4.2009 8.3522 122.7337 55.3423 18.4387 179.5131 114 A 4.0113 8.0802 119.0600 55.5508 18.4988 179.8101 115 E 3.9539 8.1412 116.7421 59.2447 29.4114 179.6312 116 V 3.3737 8.0749 118.5625 65.8785 31.4860 177.8956 117 A 4.1399 8.2737 120.4872 55.3956 18.3014 179.6180 118 L 3.9994 8.1176 117.1960 57.8552 41.5747 179.7064 119 A 4.0159 8.0429 120.8242 54.9186 18.2662 179.6852 120 L 3.9138 8.2488 117.9627 57.8599 41.4993 179.5555 121 K 3.8894 8.5145 118.5087 59.3560 32.1988 177.8700 122 A 4.1893 7.8884 117.9616 51.5957 18.6021 177.0486 123 K 3.8593 7.9358 115.8773 57.4508 30.1861 175.4764 124 K 4.7444 8.0963 117.3105 54.0630 34.4574 175.2105 125 P 4.7976 0.0000 0.0000 62.7286 33.3089 175.0993 126 V 4.8225 8.8254 121.2804 61.2356 35.1467 173.9992 127 V 4.8876 8.8201 127.6687 61.1988 34.0395 174.1475 128 L 4.8798 9.0240 128.2705 53.0336 43.8359 175.0817 129 L 4.8096 9.0103 126.8273 53.7532 45.3874 177.0734 130 G 3.9020 8.8869 113.0240 46.3648 0.0000 173.2062 131 T 4.4779 7.6470 109.3482 60.4169 70.8994 174.2745 132 Q 4.5786 8.1307 120.2341 53.7172 31.9777 175.0714 133 P 4.2540 0.0000 0.0000 66.1690 31.3548 178.6402 134 E 3.9617 8.2214 116.3402 59.3202 29.3951 179.1164 135 A 4.1041 8.0043 120.1692 55.3560 18.6308 179.2017 136 E 4.0459 8.3558 117.0853 59.6520 29.5447 179.9894 137 K 3.9954 8.1987 118.3164 59.3105 32.2192 179.0647 138 F 4.0506 8.1595 120.8799 61.5670 39.3281 177.2829 139 F 3.9806 8.2718 117.3360 60.6768 38.4608 177.9236 140 T 3.9136 7.9434 114.8944 66.5822 68.2956 176.4743 141 S 4.1833 8.2701 115.6319 61.3693 62.9165 176.3444 142 L 4.1765 7.2214 121.8558 56.6367 42.2703 176.8730 143 D 4.3505 7.7286 115.7581 53.3334 42.6504 175.3432 144 A 4.0581 8.5172 129.3876 54.5723 18.7492 179.3114 145 G 3.7033 7.7330 102.7251 47.6076 0.0000 174.1466 146 L 4.5799 7.8879 118.0967 54.5160 44.0631 176.2092 147 V 4.6743 7.6417 118.8893 61.4821 33.2488 174.6285 148 H 4.8683 8.9869 124.2685 54.0346 32.1343 172.5115 149 V 4.6374 8.5818 123.4178 61.6575 32.6616 174.7269 150 A 4.8438 8.4865 128.9807 50.0361 20.7239 176.3976 151 A 4.0615 8.9110 125.1043 54.9001 18.9998 177.1184 152 D 4.5520 7.5237 113.9891 51.4646 43.1563 176.4275 153 V 3.5569 8.2980 117.9465 66.1371 31.2583 177.3241 154 A 4.0922 8.1339 119.9935 55.2215 18.1763 179.5560 155 G 3.5760 8.8564 104.2116 47.9518 0.0000 175.4376 156 A 4.0222 8.2950 124.0716 55.1682 18.3870 179.9109 157 I 3.8616 8.3987 118.2543 64.2409 37.1049 178.6225 158 A 4.0050 8.4462 121.9296 55.0350 18.1887 179.3006 159 A 3.8729 8.1284 119.4392 55.3777 18.4240 180.0755 160 V 3.2771 7.6919 116.4330 65.8988 31.6126 177.8011 161 K 3.9312 8.1595 119.4492 59.8074 32.0738 178.3081 162 Q 3.9357 8.0452 119.3644 59.2699 28.8133 178.1278 163 L 3.9535 7.7429 118.6961 57.8302 41.9436 179.2369 164 L 3.9988 8.3302 119.0651 57.6632 41.2723 179.4049 165 A 4.0528 7.8731 119.9474 55.0119 18.3778 179.4343 166 K 4.1591 7.9412 117.6045 58.8832 32.2587 177.8933 167 L 4.2536 7.6392 123.8819 54.2309 40.9667 181.5836 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 4 R 8.25 4.28 0.00 1.79 1.94 0.00 3.21 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 5 K 8.70 3.88 0.00 1.91 1.83 0.00 1.86 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.66 1.57 7.81 6 P 0.00 4.32 0.00 1.81 1.71 0.00 3.76 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 2.19 2.11 0.00 7 I 8.28 4.76 1.84 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 1.35 0.98 0.90 0.00 0.00 8 I 9.18 4.60 1.95 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.65 0.87 0.00 0.00 9 G 8.92 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 10 V 8.29 5.16 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 0.79 0.00 0.00 0.95 0.00 0.00 11 M 9.06 4.87 0.00 2.07 1.79 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 12 G 8.30 4.53 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 0.00 0.00 0.00 13 P 0.00 4.58 0.00 2.14 2.20 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 14 G 8.97 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 15 K 7.68 4.27 0.00 1.75 1.75 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.51 7.81 16 A 7.81 4.21 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.57 5.03 0.00 2.61 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.60 4.44 4.34 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 1.22 0.00 0.00 19 A 8.42 4.24 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 20 E 8.81 4.06 0.00 2.03 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 2.41 2.38 0.00 21 N 8.19 4.36 0.00 2.99 3.09 0.00 0.00 6.31 7.79 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 22 Q 8.12 4.00 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 23 L 7.77 4.00 0.00 1.82 1.72 0.93 0.88 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 24 V 7.79 3.56 2.24 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 1.03 0.00 0.00 1.00 0.00 0.00 25 M 8.29 4.06 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 26 A 8.29 3.97 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 27 N 8.32 4.37 0.00 2.94 2.94 0.00 0.00 6.94 7.40 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 28 E 8.31 3.89 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 29 L 8.22 4.05 0.00 1.93 1.89 0.97 1.26 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 30 G 8.32 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 0.00 0.00 0.00 31 K 8.28 3.96 0.00 1.94 1.88 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.62 7.81 32 Q 8.14 4.13 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 33 I 8.36 3.82 2.19 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.23 1.15 0.00 0.00 34 A 7.99 3.98 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 35 T 7.94 3.69 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 1.04 0.00 0.00 36 H 7.33 4.06 0.00 1.40 1.38 0.00 5.93 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.72 3.82 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 0.00 0.00 0.00 38 W 7.48 5.24 0.00 3.45 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 39 I 8.70 4.34 1.92 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 1.16 0.92 0.98 0.00 0.00 40 L 8.60 4.87 0.00 1.86 1.57 1.02 0.39 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 41 L 8.75 5.18 0.00 1.73 1.47 0.92 0.36 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 42 T 8.99 4.88 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 1.28 0.00 0.00 43 G 8.71 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 44 G 9.12 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 0.00 0.00 0.00 0.00 45 R 8.15 4.29 0.00 1.82 1.98 0.00 3.51 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 46 S 8.01 3.60 0.00 3.88 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 47 L 7.45 4.64 0.00 1.60 1.52 0.92 0.93 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 48 G 7.48 4.19 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 0.00 49 V 8.46 3.54 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.01 0.00 0.00 50 M 7.98 4.10 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 51 H 8.19 4.18 0.00 3.24 3.60 0.00 5.88 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 52 E 8.00 3.84 0.00 2.22 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 0.00 2.34 2.49 0.00 53 A 8.02 4.18 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 54 M 8.12 3.99 0.00 2.10 2.40 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.61 0.00 55 K 8.50 3.95 0.00 1.81 1.82 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.32 7.81 56 G 8.26 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.36 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 58 K 8.19 3.87 0.00 1.99 2.02 0.00 1.54 0.00 0.00 1.57 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.48 7.81 59 E 8.33 3.94 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 60 A 7.46 4.54 1.30 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 61 G 8.00 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 62 G 8.23 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 63 T 8.40 4.97 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 64 T 9.17 5.14 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 65 I 9.07 4.95 1.88 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 1.17 0.73 0.98 0.00 0.00 66 G 9.17 4.35 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 0.00 67 V 8.71 4.61 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 0.81 0.00 0.00 0.93 0.00 0.00 68 L 8.98 5.14 0.00 1.56 1.49 0.92 0.78 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 69 P 0.00 4.36 0.00 2.19 2.48 0.00 3.80 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 2.07 1.81 0.00 70 G 7.57 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 71 P 0.00 4.08 0.00 2.06 2.03 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 72 D 8.23 4.71 0.00 2.70 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 73 T 7.50 4.25 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 1.21 0.00 0.00 *76 I 7.76 4.54 1.87 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 1.10 2.21 0.96 0.00 0.00 77 S 8.08 4.33 0.00 4.19 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 78 D 8.56 4.53 0.00 2.71 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 79 A 7.94 4.09 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 80 V 7.38 3.97 2.19 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 0.81 0.00 0.00 0.95 0.00 0.00 81 D 8.65 4.62 0.00 2.92 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.72 4.41 1.88 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 1.23 0.82 0.92 0.00 0.00 83 P 0.00 4.97 0.00 1.94 1.99 0.00 3.66 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 2.02 2.11 0.00 84 I 8.95 4.23 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 1.12 1.05 0.91 0.00 0.00 85 V 8.33 4.63 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 0.83 0.00 0.00 0.93 0.00 0.00 86 T 9.38 4.19 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 1.33 0.00 0.00 87 G 9.07 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.37 4.49 0.00 1.65 1.64 0.92 0.89 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 89 G 8.32 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.66 4.76 0.00 3.99 3.96 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 91 A 8.22 4.18 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 92 R 7.74 4.78 0.00 1.98 1.81 0.00 3.13 0.00 0.00 3.34 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 93 D 9.10 4.88 0.00 2.82 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 94 N 7.81 4.85 0.00 2.81 2.82 0.00 0.00 5.94 7.81 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 95 I 7.90 4.90 1.97 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 1.43 1.95 0.93 0.00 0.00 96 N 7.81 4.58 0.00 2.77 2.87 0.00 0.00 6.88 7.54 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 97 A 7.44 4.45 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 98 L 7.75 4.43 0.00 1.63 1.70 0.92 0.91 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 99 S 8.34 4.50 0.00 3.80 3.90 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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 0.00 108 M 7.53 4.38 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.67 0.00 109 G 8.05 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 0.00 110 P 0.00 4.34 0.00 2.18 2.15 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 111 G 8.13 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 0.00 0.00 0.00 112 T 7.90 3.88 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 113 A 8.35 4.20 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 0.00 114 A 8.08 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.14 3.95 0.00 2.13 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 2.42 2.45 0.00 116 V 8.07 3.37 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 0.14 0.00 0.00 0.69 0.00 0.00 117 A 8.27 4.14 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 0.00 118 L 8.12 4.00 0.00 1.88 1.74 0.98 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.04 4.02 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 0.00 120 L 8.25 3.91 0.00 1.86 1.74 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.51 3.89 0.00 1.80 2.04 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 122 A 7.89 4.19 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 0.00 123 K 7.94 3.86 0.00 1.90 1.90 0.00 1.69 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.53 7.81 124 K 8.10 4.74 0.00 1.67 1.67 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.51 7.81 125 P 0.00 4.80 0.00 2.09 2.19 0.00 3.71 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 2.00 1.92 0.00 126 V 8.83 4.82 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 0.80 0.00 0.00 0.84 0.00 0.00 127 V 8.82 4.89 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 1.01 0.00 0.00 0.87 0.00 0.00 128 L 9.02 4.88 0.00 1.60 1.59 1.05 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 129 L 9.01 4.81 0.00 1.67 1.64 0.95 0.89 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 0.00 130 G 8.89 3.90 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 0.00 131 T 7.65 4.48 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 1.33 0.00 0.00 132 Q 8.13 4.58 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 133 P 0.00 4.25 0.00 2.17 2.16 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 134 E 8.22 3.96 0.00 2.06 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 2.39 2.44 0.00 135 A 8.00 4.10 1.58 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 0.00 0.00 136 E 8.36 4.05 0.00 2.24 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 2.40 2.55 0.00 137 K 8.20 4.00 0.00 2.00 1.88 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.68 7.81 138 F 8.16 4.05 0.00 3.02 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 0.00 139 F 8.27 3.98 0.00 3.27 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 0.00 140 T 7.94 3.91 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 1.20 0.00 0.00 141 S 8.27 4.18 0.00 3.89 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 0.00 142 L 7.22 4.18 0.00 1.69 1.66 0.78 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 143 D 7.73 4.35 0.00 2.61 2.47 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 0.00 144 A 8.52 4.06 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 G 7.73 3.70 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 0.00 146 L 7.89 4.58 0.00 1.59 1.80 0.99 0.73 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 0.00 147 V 7.64 4.67 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 0.84 0.00 0.00 1.03 0.00 0.00 148 H 8.99 4.87 0.00 3.13 3.15 0.00 5.85 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 V 8.58 4.64 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 0.89 0.00 0.00 0.97 0.00 0.00 150 A 8.49 4.84 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 A 8.91 4.06 1.30 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 0.00 152 D 7.52 4.55 0.00 2.88 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 0.00 153 V 8.30 3.56 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 1.02 0.00 0.00 0.98 0.00 0.00 154 A 8.13 4.09 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 0.00 155 G 8.86 3.58 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 0.00 0.00 0.00 156 A 8.29 4.02 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 0.00 157 I 8.40 3.86 1.92 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 1.69 0.98 0.87 0.00 0.00 158 A 8.45 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 0.00 159 A 8.13 3.87 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 0.00 160 V 7.69 3.28 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 -0.04 0.00 0.00 0.91 0.00 0.00 161 K 8.16 3.93 0.00 2.26 1.90 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.64 1.78 7.81 162 Q 8.05 3.94 0.00 2.18 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 163 L 7.74 3.95 0.00 1.64 1.61 0.68 0.96 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 0.00 164 L 8.33 4.00 0.00 1.71 1.62 0.13 0.49 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 0.00 165 A 7.87 4.05 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 0.00 166 K 7.94 4.16 0.00 1.88 1.87 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.68 7.81 167 L 7.64 4.25 0.00 1.68 1.42 0.92 0.60 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 * Residues marked with a * may have inaccurate shift predictions.