NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.3812 0.0000 0.0000 62.0559 30.9643 179.8919 8 N 4.6028 9.1239 114.6140 52.0387 36.1277 172.3889 9 E 5.3078 7.7950 121.1731 55.5339 35.9820 177.3043 10 V 4.3855 8.5315 124.3810 63.5910 40.3000 173.9366 11 K 4.7502 8.7997 128.7040 55.6406 35.8708 174.0472 *12 Y 5.1633 8.3474 117.5126 57.9127 38.1817 171.5180 13 L 4.5751 8.2676 115.7161 55.4275 43.2635 173.4906 *14 Y 3.5738 7.9722 108.8988 58.9785 32.9400 175.9298 15 L 4.9333 7.6250 127.9956 54.3469 46.7293 173.2913 16 R 4.5432 8.4436 121.5634 54.4557 30.0079 173.6658 17 A 4.0566 9.6266 117.9811 54.0600 15.3327 178.3847 18 V 4.1831 6.8337 116.6174 61.9718 36.2791 173.9502 19 G 3.8038 8.7914 103.4462 48.2730 0.0000 173.6859 20 G 3.7089 8.2991 111.2458 46.2341 0.0000 174.7277 21 E 4.3178 8.7605 129.0973 54.5830 29.3539 175.3944 22 V 3.2255 9.4323 114.5074 63.1537 29.8898 168.8923 23 G 3.6648 8.5271 113.2560 46.8867 0.0000 174.9267 24 A 4.1642 8.5024 132.9576 52.1345 19.8387 179.2703 25 S 5.9383 8.0725 111.5801 58.6651 61.5329 179.3223 26 A 4.4725 8.8746 124.5049 53.1875 18.9291 179.3293 27 A 4.5558 7.9395 121.5352 53.8739 18.3712 179.6391 28 L 4.5481 8.0035 121.5793 56.4958 43.2850 180.2694 29 A 4.4210 7.9597 123.0352 54.0138 19.7818 177.9731 30 P 4.1615 0.0000 0.0000 66.0629 30.6328 181.6157 31 K 3.9462 7.0271 114.0120 56.0184 32.8710 180.2411 32 I 3.9623 7.2012 114.9416 59.8846 37.3244 177.2536 33 G 4.1232 7.7851 117.9651 45.5615 0.0000 175.7594 34 P 4.7457 0.0000 0.0000 60.6482 29.6714 174.2711 35 L 4.5567 6.9383 132.1783 54.5604 45.7307 178.3668 36 G 4.3344 8.1672 103.6080 46.6976 0.0000 171.8215 37 L 4.8167 6.8425 121.4973 55.5513 46.5525 176.9793 38 S 4.6183 8.3038 123.5613 60.8385 70.0800 172.3445 39 P 5.5128 0.0000 0.0000 62.4662 30.9549 174.9734 40 K 4.4314 8.6111 126.5898 55.1757 32.3583 177.5556 41 K 4.3765 7.6556 123.6220 57.3226 35.3389 183.1144 42 V 3.5263 8.2763 119.1544 64.7258 32.0267 182.1031 43 G 4.3128 7.6808 110.8164 44.6814 0.0000 172.9619 44 E 4.5550 8.1255 118.0268 57.9202 34.2384 179.2582 45 D 4.8829 8.1984 118.2130 53.9540 40.2919 180.2799 46 I 4.2770 7.6252 116.8977 61.5068 37.3757 181.5366 47 A 4.3664 7.6175 120.5081 53.9691 18.1027 178.5584 48 K 4.6621 7.6447 113.9954 53.1026 36.0555 182.3643 49 A 4.2296 8.4025 125.5429 55.5877 17.7417 180.5404 50 T 4.2125 9.2146 124.4880 65.2350 69.2066 178.5409 51 K 4.3651 8.1716 125.6059 60.3682 31.7128 183.4793 52 E 4.4718 8.5594 119.6781 60.7928 31.0830 183.0051 *53 F 4.9754 7.5765 118.0871 56.1223 38.6142 178.1067 54 K 4.2565 7.4718 123.1128 54.9879 32.9321 178.6910 55 G 3.5825 9.7473 109.5777 48.0940 0.0000 173.4523 56 I 3.3627 8.2710 117.9742 58.5048 34.0869 175.1719 57 K 4.2731 8.2434 121.3250 54.9189 31.7632 180.5999 58 V 4.6423 8.4101 117.6996 63.3224 37.4037 174.4909 59 T 4.5010 8.6343 110.6686 62.9883 73.6637 173.7260 60 V 3.5799 7.7799 129.3907 60.7616 32.5852 174.4786 61 Q 5.1078 8.9253 127.3086 52.8103 28.6662 171.4774 62 L 4.2919 8.2266 128.7912 56.1915 42.0079 178.9295 63 K 3.8515 9.1322 129.8379 57.0508 32.5260 174.9162 64 I 3.1149 7.6433 119.2365 60.8239 31.4284 176.1303 65 Q 4.4877 7.9693 122.3666 55.9350 30.5734 178.0642 66 N 4.6359 8.2694 111.5201 54.2911 39.3872 179.4537 67 R 4.0897 8.1627 124.4864 56.1061 28.2031 177.9367 68 Q 4.6518 7.4486 111.7997 54.6980 32.4321 177.2476 69 A 4.6470 8.1676 125.0697 52.8585 20.2832 176.2698 70 A 4.7665 8.1793 108.4300 50.9774 20.8100 178.9173 71 A 4.4813 8.2080 133.3453 51.3697 17.1330 179.5314 72 S 4.0106 9.6251 123.7064 60.5237 63.4076 178.9520 73 V 4.0888 8.0697 128.7678 59.1295 30.3330 172.1578 74 V 4.1593 7.4094 125.4209 59.6343 33.9973 175.2694 75 P 5.0405 0.0000 0.0000 65.5829 35.7816 168.3333 76 S 4.4405 7.6517 110.2958 59.1858 65.5484 168.5644 77 A 4.4124 8.7862 120.7889 55.5558 17.0328 177.9548 78 S 3.4980 8.5557 106.8374 60.0833 62.0686 171.3151 79 S 4.2355 7.7371 118.8409 64.9504 62.1640 179.0329 80 L 4.5143 9.4747 128.8175 58.5307 41.1149 182.3961 81 V 4.0729 7.5657 120.8548 67.6255 31.7763 184.3792 82 I 4.1553 7.8120 121.2882 64.3792 35.4264 180.3043 83 T 4.4212 7.4906 113.1848 64.8584 68.9249 180.3714 84 A 4.4097 8.4762 125.3202 52.9187 16.8383 177.6742 85 L 4.4045 7.6045 121.9068 57.2626 45.9087 173.5587 86 K 4.4709 8.6592 116.8258 57.4408 36.3261 171.4439 87 E 4.7853 7.8366 113.6452 56.7683 33.6423 180.0453 88 P 5.0844 0.0000 0.0000 61.1536 33.1799 173.7050 89 P 4.4450 0.0000 0.0000 65.8028 29.8407 180.0378 90 R 3.4189 7.5478 122.3759 58.4106 30.5449 177.2342 91 D 4.5078 8.8502 121.1763 54.8412 44.1338 174.5970 92 R 3.9480 9.4552 120.9187 57.6867 27.5159 182.6631 93 K 4.4835 8.7810 115.6822 55.6478 36.2969 178.7326 94 K 4.0032 9.0485 125.6081 55.5967 29.4147 176.4691 95 D 4.7068 8.0732 120.6460 55.6212 38.1003 180.2185 96 K 3.9286 9.1269 117.3175 56.4257 29.5602 178.4251 97 N 4.5739 8.4398 119.7714 53.0658 36.6281 178.5548 98 V 3.1971 7.9443 111.8816 63.1024 28.5468 179.9365 99 K 4.1559 7.7794 126.4314 55.3986 30.8429 178.5926 *100 H 4.6482 8.4615 125.3919 53.0223 26.7085 172.4299 101 S 4.6416 7.7443 120.5126 56.3593 65.6948 173.6349 102 G 4.2102 9.0080 114.1828 45.7765 0.0000 174.0847 103 N 4.7558 8.4733 125.8458 53.1256 37.0128 171.9549 104 I 4.0076 7.2340 110.6161 62.8819 41.0995 169.9377 105 Q 4.5084 8.7097 118.2237 55.8743 30.0085 172.5979 106 L 4.0923 8.6459 120.5546 58.2672 40.4895 179.5377 107 D 4.8167 8.8078 118.5200 54.7241 37.9447 179.7403 108 E 4.5852 8.1624 119.5607 56.5776 31.1249 179.0002 109 I 4.1580 8.1738 119.1441 61.9806 37.1201 180.5866 110 I 4.0147 8.8891 121.9437 62.4446 36.2657 179.3779 111 E 4.7946 7.7045 115.9282 56.7523 31.0417 182.1712 112 I 4.3063 7.2907 114.0704 59.4839 37.9196 178.3194 113 A 4.6927 7.5311 134.0194 53.7973 20.9512 179.7399 114 R 4.1637 8.3347 115.6079 58.3463 29.8327 183.4970 115 Q 4.3391 8.1941 115.8752 57.6966 28.8766 182.5108 116 M 4.6631 7.8234 114.6389 55.0714 32.6557 183.2813 117 R 4.4140 7.6011 122.4761 55.8672 30.1917 181.4122 118 D 4.3861 9.5560 118.2830 56.5898 38.4072 173.2124 119 K 4.5979 8.9981 123.4489 55.6956 30.4759 177.9226 120 S 4.6696 8.5089 123.5313 57.7308 70.0800 176.2700 *121 F 4.0719 7.5601 117.2538 57.9058 38.9080 178.4556 122 G 3.7494 8.5736 112.9832 45.4475 0.0000 174.6303 123 R 3.9718 8.7240 123.5926 57.4424 30.3326 174.5559 124 T 3.4879 9.1724 113.8737 63.6351 67.8389 172.9588 125 L 3.9012 9.1740 120.8781 58.2249 42.1724 181.5397 126 A 4.1198 8.3186 124.1144 56.0280 19.9860 179.1624 127 S 4.7799 9.0666 118.0481 58.6023 61.0796 179.5282 128 V 3.5265 7.5790 121.0690 66.0214 31.6022 179.5792 129 T 3.9237 8.2819 114.3832 64.3414 68.6462 178.1502 130 K 4.0732 8.9507 126.7281 58.1094 31.4130 180.5448 131 E 3.7152 7.7491 115.8265 59.5965 30.3475 182.0675 132 I 3.6178 8.3087 117.6167 63.6087 35.6342 180.1205 133 L 3.9188 7.6023 120.3994 57.4006 41.2343 181.2759 134 G 4.0581 8.4008 110.9849 49.6535 0.0000 175.5608 135 T 3.8501 7.5647 110.7327 62.9707 68.4546 176.1235 136 A 4.2232 8.9711 125.5282 53.8631 16.3201 177.3577 137 Q 4.5752 8.5106 119.9817 55.7840 30.6649 176.1050 138 S 4.6616 7.9429 114.2246 60.5553 64.4093 182.4185 139 V 3.7795 8.1505 114.0435 62.4436 31.1276 178.7266 140 G 4.2308 7.2709 113.2020 48.0975 0.0000 174.4463 141 C 5.5079 9.5583 135.0000 57.7782 28.5587 174.5411 142 R 3.9374 7.3912 121.3798 56.6651 28.2114 182.4367 143 V 3.6738 7.6415 113.8007 62.3711 32.2294 173.2005 144 D 4.8961 7.8822 123.8447 53.5823 39.5670 175.9821 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 7 P 0.00 4.38 0.00 2.11 1.68 0.00 3.71 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 1.84 1.59 0.00 8 N 9.12 4.60 0.00 2.72 2.77 0.00 0.00 6.43 6.77 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 9 E 7.80 5.31 0.00 1.68 1.71 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 2.12 1.87 0.00 10 V 8.53 4.39 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 0.72 0.00 0.00 0.93 0.00 0.00 11 K 8.80 4.75 0.00 1.47 1.58 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.68 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 0.98 7.81 *12 Y 8.35 5.16 0.00 2.33 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 0.00 0.00 0.00 0.00 13 L 8.27 4.58 0.00 1.60 1.53 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 *14 Y 7.97 3.57 0.00 2.40 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.62 4.93 0.00 1.68 1.47 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.44 4.54 0.00 1.78 0.85 0.00 3.19 0.00 0.00 3.23 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 17 A 9.63 4.06 1.43 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 18 V 6.83 4.18 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 0.67 0.00 0.00 0.93 0.00 0.00 19 G 8.79 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 20 G 8.30 3.71 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 0.00 0.00 0.00 21 E 8.76 4.32 0.00 1.91 1.73 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 2.31 1.87 0.00 22 V 9.43 3.23 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 23 G 8.53 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.50 4.16 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 25 S 8.07 5.94 0.00 3.70 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.87 4.47 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 27 A 7.94 4.56 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 28 L 8.00 4.55 0.00 1.65 1.55 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.96 4.42 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 30 P 0.00 4.16 0.00 2.10 1.99 0.00 3.78 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 1.94 1.60 0.00 31 K 7.03 3.95 0.00 1.68 1.49 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.38 1.32 7.81 32 I 7.20 3.96 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 1.30 1.86 0.91 0.00 0.00 33 G 7.79 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 34 P 0.00 4.75 0.00 2.10 1.90 0.00 3.82 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 1.94 1.58 0.00 35 L 6.94 4.56 0.00 1.63 0.67 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.17 4.33 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 0.00 37 L 6.84 4.82 0.00 1.52 1.52 0.92 1.04 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 38 S 8.30 4.62 0.00 3.36 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 39 P 0.00 5.51 0.00 1.78 1.81 0.00 3.70 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 1.82 1.56 0.00 40 K 8.61 4.43 0.00 1.60 1.72 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.25 7.81 41 K 7.66 4.38 0.00 1.37 1.72 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.78 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.25 0.91 7.81 42 V 8.28 3.53 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 0.89 0.00 0.00 0.93 0.00 0.00 43 G 7.68 4.31 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 0.00 44 E 8.13 4.56 0.00 1.84 1.85 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 2.20 1.86 0.00 45 D 8.20 4.88 0.00 2.60 2.67 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 46 I 7.63 4.28 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 1.35 0.64 0.91 0.00 0.00 47 A 7.62 4.37 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 48 K 7.64 4.66 0.00 1.72 1.61 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 0.99 7.81 49 A 8.40 4.23 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 50 T 9.21 4.21 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 51 K 8.17 4.37 0.00 1.85 1.76 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.07 7.81 52 E 8.56 4.47 0.00 2.01 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 2.25 2.19 0.00 *53 F 7.58 4.98 0.00 2.25 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 0.00 0.00 0.00 54 K 7.47 4.26 0.00 1.77 1.65 0.00 1.81 0.00 0.00 1.95 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.03 7.81 55 G 9.75 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 56 I 8.27 3.36 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 1.27 0.59 0.91 0.00 0.00 57 K 8.24 4.27 0.00 1.94 1.75 0.00 1.67 0.00 0.00 0.61 0.00 0.00 2.77 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 0.95 7.81 58 V 8.41 4.64 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 0.82 0.00 0.00 0.93 0.00 0.00 59 T 8.63 4.50 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 60 V 7.78 3.58 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 0.60 0.00 0.00 0.93 0.00 0.00 61 Q 8.93 5.11 0.00 1.74 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 62 L 8.23 4.29 0.00 1.33 1.59 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 63 K 9.13 3.85 0.00 1.53 1.73 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.32 1.00 7.81 64 I 7.64 3.11 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 1.27 0.41 0.91 0.00 0.00 65 Q 7.97 4.49 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.31 0.00 0.00 0.00 0.00 0.00 2.21 2.14 0.00 66 N 8.27 4.64 0.00 2.69 2.60 0.00 0.00 6.60 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.16 4.09 0.00 2.03 1.88 0.00 3.25 0.00 0.00 3.11 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.38 0.00 68 Q 7.45 4.65 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.75 0.00 0.00 0.00 0.00 0.00 2.13 1.78 0.00 69 A 8.17 4.65 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 70 A 8.18 4.77 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 71 A 8.21 4.48 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 72 S 9.63 4.01 0.00 3.44 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 73 V 8.07 4.09 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 0.89 0.00 0.00 0.93 0.00 0.00 74 V 7.41 4.16 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 0.68 0.00 0.00 0.93 0.00 0.00 75 P 0.00 5.04 0.00 2.16 1.92 0.00 3.72 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 1.70 1.31 0.00 76 S 7.65 4.44 0.00 3.60 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 77 A 8.79 4.41 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 78 S 8.56 3.50 0.00 3.77 3.74 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 79 S 7.74 4.24 0.00 3.72 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 80 L 9.47 4.51 0.00 1.75 1.61 0.92 0.93 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 81 V 7.57 4.07 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 0.75 0.00 0.00 0.93 0.00 0.00 82 I 7.81 4.16 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 1.38 1.10 0.91 0.00 0.00 83 T 7.49 4.42 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 84 A 8.48 4.41 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 85 L 7.60 4.40 0.00 1.63 1.44 0.92 0.74 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 86 K 8.66 4.47 0.00 1.71 1.65 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.20 0.93 7.81 87 E 7.84 4.79 0.00 1.92 1.67 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 2.08 1.82 0.00 88 P 0.00 5.08 0.00 2.02 1.82 0.00 3.73 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 1.77 1.51 0.00 89 P 0.00 4.45 0.00 2.08 1.93 0.00 3.74 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 1.94 1.60 0.00 90 R 7.55 3.42 0.00 1.90 2.02 0.00 3.28 0.00 0.00 3.26 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.19 0.00 91 D 8.85 4.51 0.00 2.63 2.51 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 92 R 9.46 3.95 0.00 2.00 1.75 0.00 3.27 0.00 0.00 3.26 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 93 K 8.78 4.48 0.00 1.72 1.54 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 0.99 7.81 94 K 9.05 4.00 0.00 1.95 1.84 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.24 0.99 7.81 95 D 8.07 4.71 0.00 2.60 2.65 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 0.00 0.00 0.00 0.00 96 K 9.13 3.93 0.00 1.88 1.74 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 0.98 7.81 97 N 8.44 4.57 0.00 2.87 3.04 0.00 0.00 7.00 7.67 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 98 V 7.94 3.20 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 0.79 0.00 0.00 0.93 0.00 0.00 99 K 7.78 4.16 0.00 1.77 1.69 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *100 H 8.46 4.65 0.00 2.92 2.92 0.00 7.15 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 S 7.74 4.64 0.00 3.56 3.61 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 0.00 102 G 9.01 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 0.00 103 N 8.47 4.76 0.00 2.89 2.71 0.00 0.00 6.78 7.72 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 0.00 104 I 7.23 4.01 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 0.86 0.91 0.00 0.00 105 Q 8.71 4.51 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 7.09 0.00 0.00 0.00 0.00 0.00 2.25 1.91 0.00 106 L 8.65 4.09 0.00 1.66 1.37 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.81 4.82 0.00 2.60 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 0.00 108 E 8.16 4.59 0.00 1.98 1.85 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 2.23 1.87 0.00 109 I 8.17 4.16 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 0.67 0.91 0.00 0.00 110 I 8.89 4.01 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 1.27 1.10 0.91 0.00 0.00 111 E 7.70 4.79 0.00 1.93 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 0.00 2.11 1.82 0.00 112 I 7.29 4.31 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 1.23 0.85 0.91 0.00 0.00 113 A 7.53 4.69 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 0.00 114 R 8.33 4.16 0.00 1.85 1.85 0.00 3.26 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 115 Q 8.19 4.34 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.18 0.00 0.00 0.00 0.00 0.00 2.22 1.91 0.00 116 M 7.82 4.66 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.07 0.00 117 R 7.60 4.41 0.00 1.79 1.63 0.00 3.39 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 118 D 9.56 4.39 0.00 2.74 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 9.00 4.60 0.00 1.77 1.68 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.00 7.81 120 S 8.51 4.67 0.00 3.57 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *121 F 7.56 4.07 0.00 2.52 2.40 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 0.00 122 G 8.57 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.72 3.97 0.00 1.75 1.88 0.00 3.29 0.00 0.00 3.37 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 124 T 9.17 3.49 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 0.00 125 L 9.17 3.90 0.00 1.56 1.71 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.32 4.12 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 0.00 127 S 9.07 4.78 0.00 3.63 2.95 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 0.00 0.00 0.00 128 V 7.58 3.53 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 0.63 0.00 0.00 0.93 0.00 0.00 129 T 8.28 3.92 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 1.21 0.00 0.00 130 K 8.95 4.07 0.00 1.62 1.85 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.27 7.81 131 E 7.75 3.72 0.00 1.90 1.89 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 2.26 2.18 0.00 132 I 8.31 3.62 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 0.52 0.91 0.00 0.00 133 L 7.60 3.92 0.00 1.58 1.65 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.40 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 0.00 135 T 7.56 3.85 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 0.00 136 A 8.97 4.22 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 0.00 137 Q 8.51 4.58 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.83 0.00 0.00 0.00 0.00 0.00 2.17 1.88 0.00 138 S 7.94 4.66 0.00 3.62 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 0.00 139 V 8.15 3.78 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 0.70 0.00 0.00 0.93 0.00 0.00 140 G 7.27 4.23 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 0.00 141 C 9.56 5.51 0.00 2.85 2.95 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 0.00 0.00 0.00 142 R 7.39 3.94 0.00 1.94 1.97 0.00 3.24 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 143 V 7.64 3.67 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 0.67 0.00 0.00 0.93 0.00 0.00 144 D 7.88 4.90 0.00 2.86 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 * Residues marked with a * may have inaccurate shift predictions.