NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.6118 8.0333 117.3264 63.5216 70.7080 172.3272 3 R 4.9727 9.5444 124.3863 54.0234 34.2472 172.7489 4 I 4.9093 9.1138 125.8218 59.4095 41.2881 173.9551 5 A 4.8746 8.8583 128.9540 50.7390 20.9820 175.8944 6 I 4.6551 8.6793 123.3005 59.5142 39.8309 175.0384 7 A 4.7840 8.6677 131.1261 50.6285 18.0708 176.7559 8 L 4.2309 8.8423 121.8689 55.2934 43.7555 175.7412 9 A 4.4257 8.2256 121.0120 51.1193 21.8412 175.6963 10 Q 4.1487 8.4856 118.5302 57.9063 29.1854 176.9095 11 D 4.4155 9.2528 121.3907 55.1303 38.8903 174.1447 12 F 4.6542 7.8482 112.6982 56.5445 38.6884 174.9511 13 A 3.8114 8.7708 126.5816 51.4709 17.6928 178.1202 14 D 4.4269 8.5869 123.6265 57.8897 40.9720 178.3278 15 W 4.5572 7.9943 112.9964 57.5095 28.8819 176.8476 16 E 3.9975 7.8015 119.4384 57.9431 29.4033 176.0293 17 P 4.8426 0.0000 0.0000 62.5718 31.7388 176.9173 18 A 4.0056 7.7823 121.7595 55.5456 18.4994 179.5411 19 L 3.9022 7.8938 118.3777 58.1014 42.1500 178.6306 20 L 3.9255 7.9637 119.4831 58.2020 42.1115 178.6638 21 A 3.9500 8.1652 120.3451 55.1035 18.3499 179.4736 22 A 3.9244 8.3199 119.2612 55.2242 18.4543 179.8199 23 A 4.1546 8.3383 119.1412 55.2661 18.5560 179.5975 24 A 3.9654 8.1954 119.4761 55.4198 18.2465 179.8782 25 R 4.4062 7.7884 116.9850 58.9521 30.3749 178.3266 26 S 4.1951 7.9747 113.3180 60.2124 63.0639 175.1706 27 Y 4.9182 7.9598 117.4925 57.8424 39.5753 176.9092 28 L 4.7884 7.8007 116.3304 53.4519 42.8230 176.6228 29 G 3.8903 7.9904 106.1104 46.2106 0.0000 173.6892 30 V 4.1458 7.6188 119.8012 61.8667 33.1544 174.5362 31 E 4.6339 8.9437 128.5768 55.4890 31.0628 174.7115 32 I 4.7741 8.3247 127.2287 59.5231 39.6646 174.8802 33 V 4.4130 8.6299 127.3925 61.5551 33.5245 173.9038 34 H 5.2794 9.6930 125.8410 54.5054 30.6939 174.2482 35 A 5.9067 9.2381 123.5178 49.3240 22.9971 174.8171 36 T 5.1801 8.1743 108.4138 58.0010 72.3256 173.1492 37 P 2.9700 0.0000 0.0000 64.8094 31.2141 177.2819 38 D 4.6017 7.8149 113.5102 52.4922 40.0954 175.6995 39 G 3.5387 7.3192 106.8205 46.2024 0.0000 171.8090 *41 P 4.5295 0.0000 0.0000 62.4516 33.0844 177.1496 42 V 4.6517 8.5522 113.6356 60.1786 36.8208 174.3779 43 T 5.1698 8.5807 118.1949 61.5557 71.2241 173.8500 44 S 3.8917 9.0176 125.1956 58.2049 61.5996 176.3420 *46 G 3.8258 9.1457 106.8279 44.5500 0.0000 173.4151 47 G 3.9059 8.2009 108.2706 44.5488 0.0000 174.0625 48 L 4.0176 7.7943 121.0462 54.9906 42.7252 176.6283 49 K 4.6866 8.7340 123.8265 55.4179 32.6036 175.6796 50 V 4.3035 8.8571 126.5996 61.4703 33.5147 174.5544 51 T 4.8615 8.4501 125.1037 61.5361 69.4044 173.2598 52 P 4.6219 0.0000 0.0000 61.9029 32.7379 176.0795 53 D 4.4579 8.7535 118.6075 57.4343 41.0356 176.2545 54 T 4.4439 7.4567 111.2949 61.5519 70.2534 171.6637 55 S 5.7157 8.1242 115.3856 55.7470 65.5613 174.5480 56 Y 4.3212 8.5891 118.6571 61.3659 37.6391 178.5119 57 D 4.5544 8.2044 116.6674 54.9913 39.8521 176.4770 58 A 4.4265 7.6873 121.7112 52.2035 19.3929 177.0951 59 L 4.2246 7.8196 117.6205 54.2603 42.1927 175.9514 60 D 4.8008 8.6029 123.4190 51.4715 42.6067 174.5981 61 P 3.8426 0.0000 0.0000 64.3373 31.5569 178.3867 62 V 3.5462 7.9724 119.3034 65.3961 31.3579 176.1015 63 D 4.8426 7.9063 116.4598 53.8027 42.0988 176.0365 64 I 4.6274 7.1072 118.9920 59.4448 39.7986 175.3504 65 D 4.7046 9.0122 125.5687 56.8353 41.4438 176.6257 66 A 4.8767 7.9196 118.3285 50.4778 23.0262 174.7624 67 L 4.5839 8.7145 123.0599 53.0546 44.6330 175.2552 68 V 4.6982 8.7838 126.7850 61.1121 34.5648 174.1264 69 I 4.7280 9.0236 129.5857 58.7208 39.0087 173.5821 70 P 4.5135 0.0000 0.0000 62.6078 32.4615 177.5708 71 G 3.7612 8.5758 108.8019 46.6922 0.0000 172.5314 72 G 4.0692 8.2624 107.1891 44.7194 0.0000 173.1502 73 L 4.5936 8.2885 119.5521 54.9542 41.9229 178.7728 74 S 3.9844 7.8519 115.4700 61.1256 62.7526 176.2759 75 W 4.1665 8.0627 122.2039 59.5690 28.7303 178.2391 76 E 4.1406 8.3720 114.6199 58.8665 29.3500 177.7309 77 K 4.0868 8.1181 117.3135 56.5335 32.3862 177.5461 78 G 3.9256 8.1443 107.2153 46.4120 0.0000 174.0633 79 T 4.4327 7.6937 106.8843 60.7201 69.0240 174.1735 80 A 3.6115 7.6513 123.6267 51.9689 18.9454 178.1795 81 A 4.0808 7.8439 122.9657 51.7399 19.1568 177.2203 82 D 4.5779 8.5923 121.0170 54.2971 41.6551 176.7385 83 L 4.7061 8.6505 125.7412 54.8020 42.2595 178.5871 84 G 3.8130 8.4966 107.3857 47.8480 0.0000 176.0673 85 G 3.6298 8.0698 108.2073 47.2123 0.0000 175.2674 86 L 4.0594 7.9369 122.7476 57.8476 42.2124 179.0656 87 V 3.5910 8.1280 118.4783 65.8466 31.4118 177.7514 88 K 3.9124 8.3220 119.5990 59.4845 31.7347 178.3421 89 R 3.8679 8.2906 119.1634 59.7347 29.9169 178.4996 90 F 3.6738 8.3380 117.0028 60.5918 38.9530 178.0136 91 R 3.9856 8.6175 118.1144 59.4067 29.6367 178.8757 92 D 4.4104 8.3766 117.9345 56.3703 40.7963 177.6212 93 R 4.2933 7.0406 117.2848 54.9613 30.2690 175.2312 94 D 4.4257 7.9039 115.2902 55.7162 39.0643 173.7239 95 R 4.5142 7.8399 116.5332 54.7113 31.7851 176.8196 96 L 4.1824 8.5970 124.0691 56.0619 43.3492 175.7225 97 V 4.8322 8.7180 125.1179 61.0054 34.6085 173.9569 98 A 5.3072 9.2248 129.2147 50.2001 22.5362 174.9648 99 G 4.3918 9.4975 108.4174 44.5040 0.0000 171.3396 100 I 4.4673 7.7189 122.9724 58.7053 41.3576 175.1883 101 C 3.8112 9.1000 127.3340 60.3743 31.4330 176.3898 102 A 3.7835 8.4193 116.9318 54.6531 17.5117 179.1820 103 A 2.9817 7.3059 118.9751 54.4987 18.2818 179.7009 104 A 3.7338 7.4439 119.7204 55.4149 18.4915 180.0729 105 S 3.5615 7.6329 112.9522 61.2569 62.7248 176.4446 106 A 3.1326 7.0595 122.6776 54.8331 18.3162 179.2995 107 L 4.0341 7.7686 117.5933 57.8539 41.6564 179.8256 108 G 3.7464 7.6646 105.7451 47.8453 0.0000 175.6763 109 G 3.7855 7.1374 106.3480 46.8279 0.0000 175.0919 110 T 4.2409 7.5937 110.5508 62.3746 69.5555 175.7751 111 G 4.0181 8.2003 111.4755 45.3530 0.0000 175.7113 112 V 3.7186 7.3307 118.0998 63.8595 31.1980 176.9379 113 L 4.4610 7.7644 119.4674 54.7703 41.9061 177.9787 114 N 4.4144 8.2033 118.0974 55.4138 38.4914 175.4979 115 D 4.8991 8.0043 113.7722 52.6894 40.3755 175.7227 116 V 4.5192 7.3738 111.5379 59.1779 35.4292 175.0043 117 A 4.4957 8.9694 125.2163 52.8573 19.0631 176.4284 118 H 4.5856 8.1981 115.5225 55.7359 32.6206 171.8667 119 T 3.2715 8.3934 112.3887 62.9200 70.2527 171.3422 120 G 4.0109 7.7354 106.9933 46.1653 0.0000 172.4962 121 N 4.4242 9.0684 115.6749 56.1624 38.8872 175.2075 122 A 4.4307 7.3259 117.2307 49.8263 22.0422 176.5770 123 L 2.7031 7.7999 121.4446 57.8509 41.8784 179.5208 124 A 3.9635 7.6917 120.1100 54.9759 18.0816 179.5398 125 S 4.0801 7.4484 113.3379 62.2259 63.2117 176.3562 126 H 4.1421 7.8437 118.2940 58.6049 28.2192 177.7368 127 K 4.3407 7.9237 118.5435 58.6286 31.9242 178.8260 128 A 4.2284 7.7291 120.3844 53.2877 18.3947 176.7123 129 Y 4.3517 7.8598 116.3854 55.9408 38.4300 174.9558 130 P 4.2560 0.0000 0.0000 65.3284 31.6074 177.6668 131 A 4.1216 8.0622 119.2008 53.7629 18.3753 176.5204 132 Y 4.4627 8.4078 118.7688 57.6555 38.5540 175.6040 133 R 4.3447 8.9242 126.9525 56.0233 30.9761 176.6273 134 G 3.8960 5.9405 104.6431 44.3953 0.0000 175.5643 135 E 4.1698 8.0724 122.1635 58.3147 29.5381 179.0282 136 A 4.0393 7.9479 119.7904 54.8062 18.5421 177.2255 137 H 4.8801 8.3609 111.7962 55.7398 30.3444 174.3612 138 Y 3.8722 7.9156 121.3990 57.5777 39.3153 175.1508 139 R 4.3452 8.0129 126.6601 54.6497 31.5580 176.3176 140 D 4.7842 8.8509 125.5493 52.8999 39.9437 174.9448 141 Q 4.6612 7.7454 121.0864 53.3623 31.7766 173.9152 142 P 4.3570 0.0000 0.0000 64.9753 31.8806 176.8852 143 R 4.4178 7.5886 116.5691 54.2167 31.6159 175.6831 144 A 4.3497 8.3674 122.4574 52.7994 19.2263 177.1806 145 V 4.4039 8.8046 119.6028 61.0230 34.6677 174.4202 146 S 5.1013 8.3678 120.9527 56.6272 64.9831 172.5719 147 D 4.4699 9.4029 124.6203 54.4343 44.3261 175.1844 148 G 3.9914 9.7273 113.2877 46.6727 0.0000 174.0631 149 G 3.8558 8.3430 105.0099 45.2153 0.0000 173.2654 150 V 4.9043 7.8347 119.4670 60.6854 34.5467 174.3661 151 V 5.0821 8.5878 127.8770 61.3770 33.8746 174.4181 152 T 5.8302 9.1872 116.6043 59.4023 72.7215 172.3824 153 A 4.8029 7.9758 121.5464 51.0749 22.7757 175.8992 154 A 4.4622 8.4531 122.3315 51.2803 19.4360 179.3442 155 G 3.7535 9.0660 109.6207 48.4642 0.0000 175.2493 156 S 4.3381 8.1507 111.9709 59.3030 64.0179 173.7882 157 A 4.8676 7.9841 124.6900 50.7323 19.0376 176.0486 158 P 4.4174 0.0000 0.0000 65.8421 31.8350 178.5357 159 V 3.5178 7.7154 117.9398 66.0278 31.6188 178.1383 160 S 4.1623 8.0710 113.3826 60.9470 62.8849 175.8964 161 F 4.2159 8.2758 124.4577 61.2872 39.0998 176.9005 162 A 3.8014 8.0086 120.2569 55.1124 18.1786 179.7819 163 V 3.2179 7.7895 116.7026 66.1392 31.4913 178.1993 164 E 3.9425 8.2778 118.5234 59.0573 29.3082 179.4725 165 I 3.5006 7.4191 120.0542 64.2684 37.0689 178.3937 166 L 4.0104 7.8973 119.8624 57.6857 41.4280 179.7273 167 K 3.9632 8.2829 118.8024 59.6099 31.7868 179.1143 168 S 4.0827 7.9217 112.1443 61.2889 62.2924 175.3855 169 L 4.4211 7.6860 118.2744 53.8997 41.5603 176.9353 170 G 3.9631 7.9728 106.8042 46.8185 0.0000 174.5468 171 L 4.5918 8.2427 117.0472 54.2230 42.6244 177.7497 172 F 4.6579 8.0156 123.5208 57.0050 37.9565 175.3576 173 G 3.9455 7.2719 110.6250 43.0872 0.0000 168.9808 174 P 4.0926 0.0000 0.0000 65.5098 31.3827 178.5837 175 E 3.8225 7.9951 116.6909 59.2559 29.5123 179.0202 176 A 3.9805 7.7372 120.2243 55.2216 18.5662 179.0983 177 E 3.5179 7.7922 117.8279 59.0842 29.3288 178.9002 178 A 3.9267 7.5884 120.0022 55.2838 18.5477 179.2635 179 E 3.9773 7.8880 115.5002 58.7365 29.5956 178.6185 180 L 4.8848 7.7042 117.0267 55.2945 42.6837 177.8330 181 Q 4.3958 8.1067 116.6086 57.1990 28.9502 176.7099 182 I 3.8110 7.4678 114.2856 62.7707 38.1330 177.2661 183 F 4.1954 7.9781 118.2499 58.7801 39.3997 176.3103 184 A 4.2643 8.0727 123.8615 54.6576 18.9536 179.4993 185 A 3.9959 7.6586 119.2870 55.2110 18.4851 179.0497 186 E 4.1800 8.1264 111.4296 58.2014 29.8435 176.8952 187 H 4.7043 7.9177 115.9173 55.1480 29.8367 174.8711 188 R 4.2347 7.6471 123.6839 56.4890 30.8310 175.1353 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 T 8.03 4.61 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 1.21 0.00 0.00 3 R 9.54 4.97 0.00 1.72 1.77 0.00 3.07 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 4 I 9.11 4.91 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.82 0.82 0.00 0.00 5 A 8.86 4.87 1.08 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 6 I 8.68 4.66 1.64 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.56 0.82 0.00 0.00 7 A 8.67 4.78 0.74 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 8 L 8.84 4.23 0.00 1.62 1.25 0.59 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.23 4.43 1.17 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 0.00 0.00 10 Q 8.49 4.15 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 11 D 9.25 4.42 0.00 2.83 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 12 F 7.85 4.65 0.00 3.08 3.18 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 0.00 0.00 0.00 0.00 0.00 13 A 8.77 3.81 0.21 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 14 D 8.59 4.43 0.00 2.81 2.82 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 15 W 7.99 4.56 0.00 3.39 3.35 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 16 E 7.80 4.00 0.00 1.73 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 1.74 1.47 0.00 17 P 0.00 4.84 0.00 2.26 2.28 0.00 3.98 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 18 A 7.78 4.01 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.89 3.90 0.00 1.63 1.64 1.01 0.12 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 20 L 7.96 3.93 0.00 1.75 1.65 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.17 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.32 3.92 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 23 A 8.34 4.15 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 24 A 8.20 3.97 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 25 R 7.79 4.41 0.00 1.83 2.03 0.00 3.10 0.00 0.00 3.07 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 26 S 7.97 4.20 0.00 3.65 3.36 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 27 Y 7.96 4.92 0.00 3.17 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 28 L 7.80 4.79 0.00 1.80 1.70 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.99 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 30 V 7.62 4.15 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 0.94 0.00 0.00 0.99 0.00 0.00 31 E 8.94 4.63 0.00 2.09 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 2.26 2.28 0.00 32 I 8.32 4.77 1.84 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 1.21 1.01 0.69 0.00 0.00 33 V 8.63 4.41 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 0.98 0.00 0.00 0.93 0.00 0.00 34 H 9.69 5.28 0.00 3.12 3.14 0.00 5.80 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 35 A 9.24 5.91 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 36 T 8.17 5.18 4.14 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 1.20 0.00 0.00 37 P 0.00 2.97 0.00 1.71 1.68 0.00 3.35 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.11 0.00 38 D 7.81 4.60 0.00 2.68 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 39 G 7.32 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *41 P 0.00 4.53 0.00 1.98 2.11 0.00 3.62 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 1.92 2.13 0.00 42 V 8.55 4.65 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 0.00 0.78 0.00 0.00 1.09 0.00 0.00 43 T 8.58 5.17 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 1.22 0.00 0.00 44 S 9.02 3.89 0.00 3.03 2.63 0.00 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0.00 62 V 7.97 3.55 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 0.74 0.00 0.00 0.90 0.00 0.00 63 D 7.91 4.84 0.00 2.81 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 64 I 7.11 4.63 2.15 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.76 1.16 0.00 0.00 65 D 9.01 4.70 0.00 2.71 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 66 A 7.92 4.88 1.15 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 67 L 8.71 4.58 0.00 0.39 1.05 0.29 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.78 4.70 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 1.03 0.00 0.00 0.76 0.00 0.00 69 I 9.02 4.73 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.82 1.00 0.00 0.00 70 P 0.00 4.51 0.00 2.11 2.04 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.69 4.43 4.14 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 1.21 0.00 0.00 80 A 7.65 3.61 0.47 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 81 A 7.84 4.08 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 82 D 8.59 4.58 0.00 2.68 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 83 L 8.65 4.71 0.00 1.80 1.71 1.11 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.50 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 0.00 0.00 0.00 85 G 8.07 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.94 4.06 0.00 1.83 1.84 1.01 0.38 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.44 3.73 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 0.00 105 S 7.63 3.56 0.00 3.85 4.02 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 0.00 106 A 7.06 3.13 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.77 4.03 0.00 1.71 1.62 0.88 0.63 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 0.00 108 G 7.66 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 0.00 109 G 7.14 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 0.00 110 T 7.59 4.24 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 1.26 0.00 0.00 111 G 8.20 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.33 3.72 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 0.75 0.00 0.00 0.93 0.00 0.00 113 L 7.76 4.46 0.00 1.83 1.51 0.75 0.69 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 0.00 114 N 8.20 4.41 0.00 2.76 2.85 0.00 0.00 6.69 7.78 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 0.00 115 D 8.00 4.90 0.00 2.71 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 0.00 116 V 7.37 4.52 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 0.00 0.73 0.00 0.00 1.00 0.00 0.00 117 A 8.97 4.50 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 0.00 118 H 8.20 4.59 0.00 3.13 3.41 0.00 5.23 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.39 3.27 3.98 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 1.14 0.00 0.00 120 G 7.74 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 0.00 121 N 9.07 4.42 0.00 2.71 2.89 0.00 0.00 6.56 7.35 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 0.00 122 A 7.33 4.43 1.14 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 0.00 0.00 123 L 7.80 2.70 0.00 0.70 1.26 0.81 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 124 A 7.69 3.96 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 0.00 125 S 7.45 4.08 0.00 3.92 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 0.00 126 H 7.84 4.14 0.00 2.66 1.34 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 7.92 4.34 0.00 1.75 1.94 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.73 1.71 7.81 128 A 7.73 4.23 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 0.00 129 Y 7.86 4.35 0.00 3.23 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 0.00 130 P 0.00 4.26 0.00 2.09 2.16 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 131 A 8.06 4.12 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 0.00 132 Y 8.41 4.46 0.00 3.05 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 0.00 133 R 8.92 4.34 0.00 1.76 1.77 0.00 3.33 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 134 G 5.94 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 0.00 135 E 8.07 4.17 0.00 2.08 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 2.43 2.38 0.00 136 A 7.95 4.04 1.14 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 0.00 0.00 137 H 8.36 4.88 0.00 3.35 3.41 0.00 5.82 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 7.92 3.87 0.00 3.25 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.01 4.35 0.00 1.55 1.87 0.00 3.14 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 140 D 8.85 4.78 0.00 2.85 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 0.00 141 Q 7.75 4.66 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 142 P 0.00 4.36 0.00 2.20 2.22 0.00 3.75 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 1.98 0.00 143 R 7.59 4.42 0.00 1.81 1.88 0.00 3.23 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 144 A 8.37 4.35 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 0.00 145 V 8.80 4.40 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 1.02 0.00 0.00 0.84 0.00 0.00 146 S 8.37 5.10 0.00 3.81 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.40 4.47 0.00 2.74 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 0.00 148 G 9.73 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 0.00 149 G 8.34 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 7.83 4.90 2.20 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 0.93 0.00 0.00 0.93 0.00 0.00 151 V 8.59 5.08 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 1.03 0.00 0.00 0.84 0.00 0.00 152 T 9.19 5.83 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 1.21 0.00 0.00 153 A 7.98 4.80 1.14 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 0.00 0.00 154 A 8.45 4.46 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 0.00 155 G 9.07 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 0.00 156 S 8.15 4.34 0.00 3.99 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 0.00 157 A 7.98 4.87 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 0.00 158 P 0.00 4.42 0.00 2.36 2.59 0.00 3.86 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 159 V 7.72 3.52 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 1.20 0.00 0.00 0.82 0.00 0.00 160 S 8.07 4.16 0.00 4.08 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 0.00 161 F 8.28 4.22 0.00 3.20 3.29 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 0.00 162 A 8.01 3.80 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.79 3.22 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 0.05 0.00 0.00 0.98 0.00 0.00 164 E 8.28 3.94 0.00 1.88 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 2.41 2.44 0.00 165 I 7.42 3.50 1.74 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.66 0.73 0.00 0.00 166 L 7.90 4.01 0.00 1.86 1.89 1.10 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 167 K 8.28 3.96 0.00 1.75 1.80 0.00 1.41 0.00 0.00 1.47 0.00 0.00 2.91 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.39 1.04 7.81 168 S 7.92 4.08 0.00 3.84 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 0.00 169 L 7.69 4.42 0.00 1.81 1.68 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 170 G 7.97 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 0.00 0.00 0.00 171 L 8.24 4.59 0.00 1.77 1.73 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 172 F 8.02 4.66 0.00 2.99 3.05 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 0.00 173 G 7.27 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 0.00 0.00 0.00 174 P 0.00 4.09 0.00 2.09 2.03 0.00 3.53 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 2.06 2.11 0.00 175 E 8.00 3.82 0.00 2.01 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 2.38 2.38 0.00 176 A 7.74 3.98 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 0.00 177 E 7.79 3.52 0.00 1.16 1.60 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 2.39 2.36 0.00 178 A 7.59 3.93 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 0.00 179 E 7.89 3.98 0.00 2.16 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 0.00 2.38 2.26 0.00 180 L 7.70 4.88 0.00 2.02 1.98 1.14 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 181 Q 8.11 4.40 0.00 2.27 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.98 0.00 0.00 0.00 0.00 0.00 2.59 2.34 0.00 182 I 7.47 3.81 1.54 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.36 0.81 0.00 0.00 183 F 7.98 4.20 0.00 3.22 3.24 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 0.00 184 A 8.07 4.26 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 0.00 185 A 7.66 4.00 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 0.00 186 E 8.13 4.18 0.00 2.02 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 2.24 1.92 0.00 187 H 7.92 4.70 0.00 3.30 3.37 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 R 7.65 4.23 0.00 1.89 2.23 0.00 3.19 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 * Residues marked with a * may have inaccurate shift predictions.