NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2931 8.3149 120.0012 56.8939 33.4585 174.3680 3 L 5.1898 8.6170 117.7831 51.0224 44.3873 174.3830 4 S 4.8284 8.4027 114.8645 56.3975 67.5135 174.2731 5 Q 4.1240 8.6006 124.6260 59.9264 28.5001 178.8965 6 D 5.0584 7.9724 117.8833 56.6409 41.5783 177.4799 7 E 4.0413 8.0448 120.0377 59.3785 29.6531 178.8745 8 I 3.6504 8.6223 120.6900 64.0716 36.9188 177.8275 9 D 3.9262 8.1169 119.4021 56.4083 40.3285 177.5083 10 D 4.5098 8.5608 119.3563 55.3412 41.1003 177.8294 11 L 4.2642 7.3507 120.2888 56.8495 42.5152 178.3829 12 K 4.0260 8.9908 122.1876 60.2002 31.8054 179.7409 13 D 4.3951 7.5881 120.2046 58.3594 39.9911 180.1698 14 V 4.2123 7.5903 122.1004 66.3676 31.6064 178.4793 *15 F 4.1396 8.5134 120.8203 62.0684 37.1864 179.2517 16 E 4.3715 8.1838 117.9917 58.0378 29.2080 178.4786 17 L 4.3337 7.7890 119.8217 56.3663 42.8387 177.6983 18 F 4.4153 8.9029 118.1238 60.0384 39.0560 177.4532 19 D 4.9160 8.3413 118.4054 56.4743 40.9127 178.0888 20 F 3.9551 7.8065 118.1958 61.2178 39.2613 177.2742 21 W 4.3800 8.1152 117.3053 58.5575 29.0907 176.9555 22 D 5.0980 8.0642 119.5666 51.9533 40.2962 174.3035 23 G 3.9340 7.5953 112.3440 46.6148 0.0000 174.5600 24 R 4.0985 8.2091 124.5638 56.3702 28.7564 175.2012 25 D 4.7061 8.6967 121.6764 52.0542 40.9586 176.7727 26 G 3.9076 10.7215 109.7367 45.2383 0.0000 172.4230 27 A 5.5103 8.4594 119.8623 49.5541 22.1737 176.4886 28 V 4.3934 8.2735 121.9933 60.8110 34.1908 174.4765 29 D 4.8737 9.0183 126.5623 54.8482 41.8089 176.2339 30 A 4.0916 9.0342 128.8514 55.6862 18.0132 179.3171 31 F 4.8021 8.3395 119.5607 60.8618 39.1968 176.6927 32 K 3.6258 7.9039 117.4711 57.6744 31.8866 178.3399 33 L 3.9180 8.1314 121.5708 58.6980 41.5661 178.9459 34 G 3.5209 7.4149 105.8828 47.9411 0.0000 175.2776 35 D 4.4316 7.7386 119.2217 56.0525 40.9551 178.5078 36 V 3.2201 6.8928 119.1081 65.6252 31.5224 177.6056 37 C 3.8339 7.9689 117.0943 63.0829 27.9937 176.5771 38 R 4.4469 7.2961 121.7128 59.9976 29.2800 182.0760 39 C 4.8511 8.6697 116.2267 59.8438 28.0953 174.2460 40 L 4.4097 8.0427 117.8814 53.9631 41.9805 174.1341 41 G 4.0802 8.4473 101.0358 46.6503 0.0000 173.4984 42 I 4.7502 7.3339 116.7302 59.6884 41.8717 175.5449 43 N 5.0677 8.2427 117.4308 51.1445 39.3715 173.4232 44 P 4.2475 0.0000 0.0000 63.6092 32.3855 178.0336 45 R 4.1866 8.2186 121.5438 58.0816 31.2723 177.0110 46 N 4.1692 8.6998 119.1255 57.0859 37.3788 177.1991 47 E 3.9780 7.8791 120.4387 60.4881 29.7378 181.0310 48 D 4.5446 7.9596 119.3043 57.4266 40.7940 179.3294 49 V 3.6141 7.4605 110.6620 63.7936 31.6129 177.7304 50 F 5.3576 8.2049 118.2832 58.4789 39.2043 177.3081 51 A 4.3333 8.1883 119.1858 53.2539 19.4497 177.4774 52 V 4.4246 7.1887 115.9813 61.0811 32.4941 175.5376 53 G 3.8652 7.8414 118.6731 44.8411 0.0000 172.2976 54 G 4.2354 9.1475 117.3010 45.0088 0.0000 172.8365 55 T 4.3396 7.8699 108.1461 61.0829 70.4578 171.1205 56 H 4.2734 8.4829 115.3077 58.2131 31.6922 174.3566 57 K 3.9299 7.6061 120.5886 54.1373 32.2568 179.0323 58 M 4.7723 8.0212 123.2086 57.1972 31.2477 175.5827 59 G 3.7431 7.4760 124.9543 45.9575 0.0000 170.4152 60 E 4.4894 7.8949 121.2522 57.7563 32.6247 177.5952 61 K 4.7613 7.6688 119.9826 53.9634 36.4087 176.2082 62 S 5.2121 8.6769 118.8660 56.6156 65.0203 173.6331 63 L 4.6826 9.4657 126.0885 52.9473 43.5246 174.8603 64 P 5.1574 0.0000 0.0000 62.7607 32.9062 176.1114 *65 F 4.4711 8.1615 116.4300 61.3845 38.5962 174.1682 66 E 4.3538 8.3165 118.2759 58.8013 29.2763 178.1715 67 E 4.6623 7.9360 119.8897 59.6027 32.5367 183.5348 *68 F 4.4172 8.1307 120.4677 61.9534 37.9570 180.3753 69 L 4.1635 7.8937 120.6408 57.6746 42.0312 177.0502 70 P 4.2167 0.0000 0.0000 65.4858 31.2060 178.3373 71 A 4.0577 7.8637 120.0196 55.1271 16.9326 178.9428 72 Y 3.9568 8.3722 118.4540 60.6846 38.6239 177.7095 73 E 4.2582 7.8157 119.0720 58.5699 29.5959 178.2057 74 G 3.9690 8.0140 107.5229 46.9955 0.0000 179.0493 75 L 4.5058 7.1795 121.1598 53.3492 39.8591 179.7393 76 M 4.6009 10.0960 118.7957 55.7938 32.6113 176.2489 77 D 4.9160 8.0945 117.2215 52.8381 40.9055 180.4236 78 C 4.8019 7.6541 118.9832 57.6358 33.7916 172.9864 79 E 3.7815 8.7686 127.3944 57.6767 29.4649 176.9461 80 Q 4.6562 8.4573 123.5301 52.8079 31.2783 172.5017 81 G 3.4537 8.8203 110.4602 43.4373 0.0000 173.9185 82 T 3.9780 8.0468 116.0027 60.7018 69.8502 175.0235 83 F 4.1201 8.8653 123.9375 61.4369 38.9915 176.1491 84 A 3.8477 7.6340 121.9958 54.0091 17.7807 179.4940 85 D 4.2337 8.1551 114.2250 56.8460 41.3376 179.2066 86 Y 4.4820 7.3921 116.3951 61.6778 37.9603 178.7961 87 M 4.1612 7.7626 119.2743 58.5911 31.8398 178.4091 88 E 3.9339 8.4507 117.8206 60.0081 29.9693 177.9017 89 A 3.9880 8.7543 121.3186 53.7605 18.2351 179.5056 90 F 3.0863 8.5469 113.9947 59.8386 39.3400 178.1027 91 K 4.0326 8.5514 119.7097 59.9926 31.5617 178.8071 92 T 4.3691 8.5493 106.1099 62.3931 68.4937 174.6878 93 F 4.5257 8.2509 117.3924 57.0909 41.6723 174.0549 94 D 4.7937 8.9656 122.6165 52.9976 41.3726 176.6000 95 R 4.0682 8.6780 125.7919 58.6539 30.4062 177.5428 96 E 3.8178 7.8624 114.5515 58.6197 30.1669 177.0889 97 G 3.8244 8.8981 112.1025 46.3448 0.0000 175.2414 98 Q 3.8364 7.9168 119.7121 57.4113 29.3361 178.1151 99 G 4.3656 8.3605 105.9850 46.5373 0.0000 172.3187 100 F 5.2646 8.3430 119.1545 56.0375 41.5546 176.0995 101 I 4.7849 8.8715 121.9990 58.5376 37.6300 174.7681 102 S 4.2498 8.9278 122.7759 57.9370 63.8492 174.1403 103 G 3.6633 9.0248 106.2019 47.2128 0.0000 175.7770 104 A 3.9535 7.9091 120.5409 54.4592 18.8953 178.9810 105 E 3.8782 7.6011 114.9645 59.5895 29.5678 178.7494 106 L 4.2576 8.2123 120.2779 58.3761 42.0254 178.9451 107 R 3.9680 7.8873 116.0036 58.6027 30.1903 177.3852 108 H 4.4042 8.1836 118.3459 59.5054 29.8917 177.2454 109 V 3.3898 8.7876 121.0831 65.8121 30.9823 177.7464 110 L 3.9841 8.2136 118.2693 56.8484 41.4863 177.3671 111 T 4.2847 7.1805 112.8368 65.2106 70.4562 175.4944 112 A 3.5401 8.7530 120.8287 56.8311 18.7414 179.4387 113 L 4.2365 7.7372 118.9502 53.7856 45.4627 179.9229 114 G 3.8855 9.1760 113.0452 46.1547 0.0000 176.5249 115 E 4.5245 9.2078 123.3106 54.3667 31.8354 173.8310 116 R 4.3074 8.3422 118.0541 55.8504 29.7560 175.4408 117 L 4.5559 7.5147 119.5070 55.9525 42.6791 176.6654 118 S 4.5271 7.6238 111.8950 56.6786 67.0241 175.6644 119 D 4.3737 9.2547 126.0730 58.0053 40.5994 178.4709 120 E 4.0188 8.2120 117.6657 60.3229 28.9395 178.8609 121 D 4.1070 8.0289 114.8964 57.5368 41.2578 179.1382 122 V 3.7622 8.2364 118.4296 66.8705 31.7869 178.5068 123 D 4.4809 8.3174 117.6006 56.4829 40.5317 177.9548 124 E 4.1247 9.2685 120.8073 58.3842 29.9161 177.8608 125 I 3.7734 7.7537 118.0584 63.9613 38.0023 177.1757 126 I 4.1876 7.8944 123.0420 64.0906 37.1019 178.6128 127 K 3.9028 7.8094 125.0372 59.7082 31.7856 179.2457 128 L 4.3950 8.3076 119.3633 57.1781 41.3653 177.6785 129 T 3.9440 6.8020 105.2950 61.6571 69.0026 174.9676 130 D 4.2148 8.3210 119.0877 55.4022 39.3430 170.8971 131 L 4.7305 8.0659 120.0587 52.8099 44.0034 175.4105 132 Q 4.7216 8.5053 124.7799 54.0053 31.0212 175.2503 133 E 4.2900 8.5327 121.6480 55.5004 30.5573 177.6110 134 D 4.6027 8.0462 121.6886 53.5902 39.6894 176.0794 135 L 4.3047 8.3335 118.0682 55.7781 41.5347 176.9805 136 E 4.2935 9.8366 118.8975 55.6735 31.5730 176.7182 137 G 4.9475 8.3014 122.9572 45.3097 0.0000 171.1004 138 N 5.3142 7.1878 114.8949 51.8436 41.1819 175.3339 139 V 4.8182 8.8477 114.2399 59.3797 35.5034 174.9892 140 K 4.5124 9.0386 126.3891 56.1389 32.2740 176.6541 141 Y 4.0943 8.4491 126.8558 60.2286 37.2463 177.7473 142 E 3.7396 7.0595 120.6665 59.4445 29.3850 178.7442 143 D 4.4201 7.4567 115.8505 57.1153 41.0932 177.9124 144 F 4.3886 8.8097 122.8531 60.1553 39.6056 177.3641 145 V 3.6944 7.9556 118.9165 64.7842 30.8181 178.5437 146 K 3.9731 7.7473 118.8007 59.4120 31.9955 179.2582 147 K 3.8125 8.2002 119.1396 59.2774 31.6696 179.5334 148 V 3.3500 7.1512 116.8213 66.2026 31.6308 177.2672 149 M 4.2014 7.5642 116.2251 58.7463 31.9398 178.0032 150 A 4.0344 7.8404 119.3063 54.5496 17.3767 176.8804 151 G 4.1565 7.3277 101.6056 42.6397 0.0000 173.3547 152 P 4.2227 0.0000 0.0000 64.6194 31.3918 176.2273 153 Y 4.7397 6.7739 116.2270 55.2813 37.6914 173.8085 154 P 4.4484 0.0000 0.0000 62.7233 31.6497 177.0489 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 K 8.31 4.29 0.00 1.90 1.87 0.00 1.51 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.48 7.81 3 L 8.62 5.19 0.00 1.69 1.66 0.99 0.53 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 4 S 8.40 4.83 0.00 4.01 3.95 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 5 Q 8.60 4.12 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 6 D 7.97 5.06 0.00 2.70 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 7 E 8.04 4.04 0.00 2.09 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 2.26 2.35 0.00 8 I 8.62 3.65 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.87 0.84 0.00 0.00 9 D 8.12 3.93 0.00 2.85 2.69 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 10 D 8.56 4.51 0.00 2.89 2.69 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 11 L 7.35 4.26 0.00 1.42 1.66 0.83 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.99 4.03 0.00 1.71 1.83 0.00 1.86 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.65 7.81 13 D 7.59 4.40 0.00 2.75 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.59 4.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 1.15 0.00 0.00 *15 F 8.51 4.14 0.00 2.30 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 16 E 8.18 4.37 0.00 1.98 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 2.37 2.36 0.00 17 L 7.79 4.33 0.00 1.80 2.02 0.72 0.76 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 18 F 8.90 4.42 0.00 3.20 3.22 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 0.00 19 D 8.34 4.92 0.00 2.90 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.81 3.96 0.00 3.17 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 21 W 8.12 4.38 0.00 3.34 3.28 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 22 D 8.06 5.10 0.00 3.03 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 23 G 7.60 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 0.00 0.00 0.00 24 R 8.21 4.10 0.00 1.76 1.85 0.00 3.18 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 25 D 8.70 4.71 0.00 2.77 2.69 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 26 G 10.72 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 27 A 8.46 5.51 1.22 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 0.00 0.00 0.00 28 V 8.27 4.39 2.13 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 1.06 0.00 0.00 1.07 0.00 0.00 29 D 9.02 4.87 0.00 2.89 2.66 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 30 A 9.03 4.09 1.48 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 0.00 0.00 31 F 8.34 4.80 0.00 3.16 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 32 K 7.90 3.63 0.00 1.96 1.92 0.00 1.46 0.00 0.00 1.62 0.00 0.00 3.11 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.77 1.76 7.81 33 L 8.13 3.92 0.00 1.66 1.98 0.94 0.90 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 34 G 7.41 3.52 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 0.00 35 D 7.74 4.43 0.00 2.69 2.75 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 36 V 6.89 3.22 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 0.72 0.00 0.00 -0.82 0.00 0.00 37 C 7.97 3.83 0.00 3.04 2.94 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 38 R 7.30 4.45 0.00 1.95 1.84 0.00 3.23 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.39 0.00 39 C 8.67 4.85 0.00 3.07 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 40 L 8.04 4.41 0.00 1.70 1.78 0.89 1.23 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 41 G 8.45 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 0.00 0.00 0.00 42 I 7.33 4.75 2.03 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 0.83 0.00 0.00 43 N 8.24 5.07 0.00 2.67 2.73 0.00 0.00 6.95 8.02 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 44 P 0.00 4.25 0.00 2.08 1.97 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 45 R 8.22 4.19 0.00 1.84 1.85 0.00 3.26 0.00 0.00 3.39 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.25 0.00 46 N 8.70 4.17 0.00 2.55 2.77 0.00 0.00 5.91 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 47 E 7.88 3.98 0.00 1.99 2.04 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 2.33 2.01 0.00 48 D 7.96 4.54 0.00 2.80 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 49 V 7.46 3.61 2.04 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 0.68 0.00 0.00 0.62 0.00 0.00 50 F 8.20 5.36 0.00 3.30 3.02 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 51 A 8.19 4.33 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 52 V 7.19 4.42 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 0.88 0.00 0.00 0.97 0.00 0.00 53 G 7.84 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 54 G 9.15 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 55 T 7.87 4.34 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 56 H 8.48 4.27 0.00 2.91 3.05 0.00 5.89 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.61 3.93 0.00 1.78 1.60 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.03 7.81 58 M 8.02 4.77 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.86 0.00 59 G 7.48 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 0.00 0.00 0.00 60 E 7.89 4.49 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.21 0.00 61 K 7.67 4.76 0.00 1.39 1.60 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.34 1.04 7.81 62 S 8.68 5.21 0.00 3.75 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 63 L 9.47 4.68 0.00 1.51 1.59 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 5.16 0.00 2.44 2.03 0.00 3.38 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 *65 F 8.16 4.47 0.00 2.29 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 0.00 0.00 0.00 0.00 66 E 8.32 4.35 0.00 2.11 2.13 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 2.29 2.35 0.00 67 E 7.94 4.66 0.00 2.05 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 2.11 1.89 0.00 *68 F 8.13 4.42 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.89 4.16 0.00 1.68 1.69 0.88 1.00 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 70 P 0.00 4.22 0.00 2.22 2.14 0.00 3.79 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 2.28 2.20 0.00 71 A 7.86 4.06 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 72 Y 8.37 3.96 0.00 3.07 3.08 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 73 E 7.82 4.26 0.00 2.19 2.27 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 2.36 2.42 0.00 74 G 8.01 3.97 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 0.00 0.00 0.00 75 L 7.18 4.51 0.00 1.65 1.57 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 76 M 10.10 4.60 0.00 1.79 2.06 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 77 D 8.09 4.92 0.00 2.68 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 78 C 7.65 4.80 0.00 2.85 2.76 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 79 E 8.77 3.78 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 2.29 2.32 0.00 80 Q 8.46 4.66 0.00 2.07 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 81 G 8.82 3.45 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 0.00 0.00 0.00 82 T 8.05 3.98 4.20 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 1.19 0.00 0.00 83 F 8.87 4.12 0.00 3.02 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 84 A 7.63 3.85 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 85 D 8.16 4.23 0.00 2.59 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 86 Y 7.39 4.48 0.00 2.94 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 87 M 7.76 4.16 0.00 1.82 1.94 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.77 0.00 88 E 8.45 3.93 0.00 1.88 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 2.33 2.40 0.00 89 A 8.75 3.99 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 90 F 8.55 3.09 0.00 3.24 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 91 K 8.55 4.03 0.00 2.11 2.12 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.62 7.81 92 T 8.55 4.37 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 1.34 0.00 0.00 93 F 8.25 4.53 0.00 2.90 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 94 D 8.97 4.79 0.00 2.75 2.79 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 95 R 8.68 4.07 0.00 1.86 1.97 0.00 3.28 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 96 E 7.86 3.82 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 97 G 8.90 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 98 Q 7.92 3.84 0.00 2.29 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.14 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 99 G 8.36 4.37 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 0.00 100 F 8.34 5.26 0.00 3.06 3.01 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 0.00 101 I 8.87 4.78 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 0.87 0.91 0.00 0.00 102 S 8.93 4.25 0.00 3.81 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 0.00 103 G 9.02 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 0.00 104 A 7.91 3.95 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 0.00 105 E 7.60 3.88 0.00 2.05 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 0.00 2.40 2.49 0.00 106 L 8.21 4.26 0.00 1.74 1.74 0.86 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.89 3.97 0.00 1.84 2.05 0.00 3.28 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 108 H 8.18 4.40 0.00 3.39 3.46 0.00 5.84 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 0.00 109 V 8.79 3.39 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 0.58 0.00 0.00 1.07 0.00 0.00 110 L 8.21 3.98 0.00 1.86 1.69 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 111 T 7.18 4.28 4.20 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 1.20 0.00 0.00 112 A 8.75 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.74 4.24 0.00 1.65 1.61 1.12 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 114 G 9.18 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 0.00 115 E 9.21 4.52 0.00 1.90 1.86 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 2.20 2.22 0.00 116 R 8.34 4.31 0.00 1.90 2.08 0.00 2.60 0.00 0.00 3.93 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 117 L 7.51 4.56 0.00 1.77 1.78 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 118 S 7.62 4.53 0.00 4.09 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 0.00 119 D 9.25 4.37 0.00 2.67 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 0.00 120 E 8.21 4.02 0.00 1.99 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 2.42 2.37 0.00 121 D 8.03 4.11 0.00 2.96 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 0.00 122 V 8.24 3.76 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.94 0.00 0.00 123 D 8.32 4.48 0.00 3.01 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 0.00 124 E 9.27 4.12 0.00 2.24 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 2.27 2.45 0.00 125 I 7.75 3.77 1.93 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 1.81 1.22 1.10 0.00 0.00 126 I 7.89 4.19 1.91 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 1.42 1.01 0.97 0.00 0.00 127 K 7.81 3.90 0.00 1.81 1.77 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.35 7.81 128 L 8.31 4.40 0.00 1.81 1.70 0.88 0.68 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 0.00 129 T 6.80 3.94 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 1.17 0.00 0.00 130 D 8.32 4.21 0.00 2.83 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 0.00 131 L 8.07 4.73 0.00 2.02 1.69 1.04 0.41 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 0.00 132 Q 8.51 4.72 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 133 E 8.53 4.29 0.00 1.96 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 2.31 2.30 0.00 134 D 8.05 4.60 0.00 2.72 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 0.00 135 L 8.33 4.30 0.00 1.63 1.72 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 136 E 9.84 4.29 0.00 2.23 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 2.21 2.28 0.00 137 G 8.30 4.95 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 0.00 0.00 0.00 138 N 7.19 5.31 0.00 2.81 2.89 0.00 0.00 5.86 7.68 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 0.00 139 V 8.85 4.82 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 0.76 0.00 0.00 0.99 0.00 0.00 140 K 9.04 4.51 0.00 1.82 1.63 0.00 1.19 0.00 0.00 1.76 0.00 0.00 2.36 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.01 0.78 7.81 141 Y 8.45 4.09 0.00 2.36 2.91 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 0.00 142 E 7.06 3.74 0.00 1.59 1.74 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 2.47 2.53 0.00 143 D 7.46 4.42 0.00 2.88 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 0.00 144 F 8.81 4.39 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 0.00 145 V 7.96 3.69 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 0.98 0.00 0.00 1.15 0.00 0.00 146 K 7.75 3.97 0.00 1.96 1.81 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.76 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.24 1.73 7.81 147 K 8.20 3.81 0.00 1.51 1.69 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.56 7.81 148 V 7.15 3.35 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 0.76 0.00 0.00 0.34 0.00 0.00 149 M 7.56 4.20 0.00 2.11 2.31 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.09 2.84 0.00 150 A 7.84 4.03 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 0.00 151 G 7.33 4.16 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 0.00 0.00 0.00 152 P 0.00 4.22 0.00 1.41 1.90 0.00 3.62 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.72 0.00 153 Y 6.77 4.74 0.00 3.02 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 0.00 154 P 0.00 4.45 0.00 2.18 2.02 0.00 3.90 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 2.01 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.