NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3245 8.3449 119.1207 54.4184 30.2619 175.0192 2 V 4.8455 8.4980 108.7869 58.7527 33.2661 174.6647 3 Q 4.6630 9.3826 124.3238 55.0844 32.8879 172.8218 4 L 5.0843 8.4469 118.8295 52.9452 44.9588 175.9105 5 V 4.6696 8.5805 116.9270 59.6450 34.3768 175.2348 6 E 5.3894 8.3345 123.9690 55.1746 31.4780 175.3923 7 S 4.4730 8.1965 112.1452 57.7511 65.9616 175.5776 *9 G 3.9049 8.8481 113.0412 44.4910 0.0000 173.2968 10 G 3.8732 7.6323 107.2421 47.3476 0.0000 172.5059 11 N 5.0669 8.5102 121.2298 52.3242 43.4109 172.3931 12 L 5.0002 8.3302 123.8732 54.1989 43.3158 175.9706 13 V 4.6194 8.8240 118.5878 59.5495 36.2927 175.2140 14 Q 4.8151 8.4217 121.2983 54.0357 30.3885 173.9328 15 P 4.5419 0.0000 0.0000 64.5263 31.6896 177.2663 16 G 3.8943 9.3198 112.2125 45.0333 0.0000 173.5381 17 G 4.0979 7.8734 107.7862 45.7016 0.0000 172.5421 18 S 5.2695 8.1805 112.9686 56.9779 66.5068 173.2325 19 L 4.4201 8.4668 120.9625 53.9654 45.8035 173.6062 20 R 4.8541 8.4593 125.6793 54.5403 32.1022 174.6955 21 L 5.0522 8.5287 126.3458 53.0832 44.6013 175.5520 22 S 5.1784 8.8719 116.9185 56.8791 66.4405 172.5814 23 C 4.8877 9.3132 121.4512 55.0972 47.2193 171.8058 24 A 4.9725 8.8836 128.5972 50.1869 20.5246 175.7175 25 A 4.5573 8.1865 125.0064 50.8710 20.4081 176.8751 26 S 4.3294 8.3214 114.1723 57.8897 66.2464 175.3108 27 G 3.9098 8.8824 110.6690 45.6562 0.0000 172.7748 *29 F 4.5897 7.3579 112.5473 56.7490 39.2479 174.6356 30 T 4.2421 8.4339 118.2972 62.6019 68.6345 175.7644 31 F 4.8065 9.4455 130.8361 61.3366 39.5311 176.7583 32 G 3.8218 8.2974 107.9880 48.0774 0.0000 174.2216 33 S 3.9968 8.2163 114.0674 60.5458 62.8977 173.3975 *39 F 5.1637 7.7998 120.2855 58.0574 40.6120 175.5128 40 S 4.9432 8.6541 119.8449 59.4996 63.7192 173.5741 41 M 5.1416 8.7784 116.1306 55.2319 34.8915 173.6892 42 S 5.3074 9.1237 115.0618 56.8364 68.2411 172.9065 43 W 5.2212 9.2183 122.1681 55.2718 31.0481 175.4895 44 V 5.0621 9.2934 125.1477 61.0626 34.1321 174.5496 45 R 4.9976 9.1759 124.0890 54.4846 33.0568 174.8959 46 Q 5.0176 9.0897 120.4226 53.2599 31.9529 174.4000 47 A 4.7006 8.5847 128.4412 50.5845 20.3429 174.6961 48 P 4.2885 0.0000 0.0000 64.0449 31.6509 177.6725 49 G 3.8565 8.9268 110.3858 45.7702 0.0000 173.3171 50 G 4.0001 8.0209 109.1365 43.9522 0.0000 173.2226 51 G 4.0843 8.0203 107.3533 44.4945 0.0000 172.0488 52 L 4.7051 8.3352 119.6237 54.2585 42.9546 176.3174 53 E 4.7518 9.1156 123.7487 53.8825 32.7421 174.5472 54 W 4.5627 9.2334 135.0000 57.9868 31.2329 175.0749 55 V 4.0792 7.6518 124.3427 64.0758 34.0462 174.7289 56 A 3.9987 6.2793 118.7392 51.2582 22.6940 174.8136 57 G 4.4276 8.2484 105.1701 46.0723 0.0000 172.3791 58 L 5.5012 8.4604 119.7010 52.6135 44.9710 176.9378 59 S 4.3006 8.6968 117.4442 57.9823 63.7351 173.1616 60 A 4.5253 8.8736 122.3165 54.3276 18.5586 178.1351 61 R 4.0095 7.7214 115.0108 56.7663 31.2651 176.5124 *65 S 4.8740 7.4899 111.2071 59.7753 63.8849 173.2890 66 S 4.8255 8.3020 114.6004 58.6339 63.7424 174.7355 67 L 4.2712 7.9950 121.5767 55.2003 42.2019 176.3539 68 T 5.1018 8.4751 113.6914 60.6914 71.6807 172.5734 69 H 5.0358 8.5020 121.3039 55.7507 34.1495 171.3788 70 Y 5.1827 8.0702 116.8760 55.8143 42.0084 175.3892 71 A 4.4305 8.7798 124.5611 52.0901 19.0371 178.5065 72 D 4.3299 9.1608 120.7844 57.6227 41.0545 179.1316 73 S 4.0388 8.0239 111.1861 59.8805 63.3998 174.5383 74 V 3.8007 7.7514 119.0071 61.7998 32.8984 175.3359 75 K 3.7456 7.1408 118.7698 58.3017 32.1988 177.2406 76 G 3.9589 8.6844 111.1388 45.1008 0.0000 173.9981 77 R 4.5545 7.5943 116.5505 56.2104 33.6166 175.4433 78 F 5.3678 7.9337 116.6286 56.0260 41.0705 175.7657 79 T 4.7407 8.9953 120.0288 61.8370 71.2313 172.7449 80 I 5.0713 9.0192 127.6896 59.7360 39.5870 174.8616 81 S 4.9308 9.0252 122.4437 56.9748 66.7292 172.8381 82 R 4.8524 8.5955 117.8177 55.0129 31.6356 175.5720 83 D 4.8265 8.8665 122.1697 52.5271 41.9355 176.1670 84 N 4.3450 8.7938 123.7666 55.8697 39.1298 177.6560 85 A 4.0055 8.2322 120.1570 54.7641 18.4951 178.0683 86 K 4.2677 8.4188 112.1079 55.4621 33.1817 175.8702 87 N 4.1532 7.9253 117.7352 53.9770 37.6305 171.8456 88 S 5.1998 8.2247 112.2452 57.5089 67.8892 174.2846 89 V 4.8026 8.7800 118.9280 61.3342 34.7713 173.7347 90 Y 5.4649 9.1149 123.9357 56.1727 41.7148 174.5305 91 L 4.6750 8.6585 123.7208 53.2857 44.9876 174.9779 92 Q 4.3383 9.0261 129.4832 55.2426 30.6234 174.2007 93 M 4.2638 8.5507 127.4125 53.7512 33.7167 175.1094 94 N 4.9769 8.8927 121.2661 50.6807 41.6452 175.0544 95 S 3.6678 8.3128 113.8194 59.7403 60.6452 173.1009 96 L 4.4532 7.9090 120.2049 54.8647 42.7503 177.3534 97 R 4.9600 8.8870 120.1916 53.8874 33.8470 177.1575 98 V 3.8189 8.3033 118.5320 66.2841 31.5627 177.7211 99 E 4.2111 8.0876 117.0902 58.3386 29.3922 177.1464 100 D 4.7165 7.9517 117.7910 55.5220 41.3365 176.7092 101 T 4.3375 7.9468 117.3100 64.1038 68.8360 173.5798 102 A 4.5538 8.5965 126.4282 51.2606 23.6824 175.1976 103 V 4.4124 7.9499 119.7626 61.4876 33.3014 174.6804 104 Y 5.0070 9.1714 122.9358 56.5256 40.2186 174.2806 105 Y 5.4909 9.8000 122.5375 56.4720 41.2501 172.4430 106 C 4.8694 8.7147 116.3566 53.9276 42.7936 172.2977 107 A 4.7947 8.1118 120.7776 50.6641 22.7325 175.7092 108 R 4.7477 8.2828 118.3993 55.3591 31.6138 176.0357 109 R 4.6703 8.7018 121.1449 55.1960 31.3228 176.9529 110 S 4.2644 8.1894 119.7104 58.9837 63.8479 175.5914 *111 Y 3.8334 9.1458 122.9213 60.9218 36.4904 180.2846 112 D 4.6300 8.1501 117.2918 54.7998 39.8723 178.6031 113 S 5.0282 8.1027 111.9785 59.0784 63.2908 175.2643 114 S 4.8579 8.2986 114.6470 58.8352 64.1460 174.9883 115 G 4.2654 7.6245 113.4873 45.5072 0.0000 175.4156 *116 Y 3.8495 8.4589 117.0592 59.7577 37.2716 175.0432 *129 W 5.7301 7.3183 118.2759 56.3169 30.8772 177.5471 130 G 3.9195 8.2271 111.1213 47.0762 0.0000 176.6588 131 H 4.2558 8.1654 116.0286 58.8070 29.0815 176.4640 132 F 4.2475 8.1421 116.5819 60.6786 38.6329 176.0305 133 Y 4.7043 7.8975 114.7594 59.2805 38.4246 175.1596 134 S 4.2444 7.9953 114.9765 56.3718 61.7819 172.9164 135 Y 5.1124 8.6513 125.3977 55.6878 41.9803 173.8775 136 M 5.3221 9.2183 119.8269 53.2164 33.7612 175.0616 137 D 4.7161 8.8762 123.4306 54.5908 41.1026 176.7262 138 V 4.3563 7.3583 120.5446 60.5253 33.2756 174.3857 139 W 5.0439 8.8051 127.4473 54.5011 31.7375 175.9181 140 G 4.0439 9.2166 111.7504 45.8245 0.0000 173.9133 141 Q 4.2463 8.8020 118.5007 57.0613 29.0317 177.0021 142 G 3.6724 9.2859 107.3303 45.8776 0.0000 172.4484 143 T 4.6555 8.2823 116.9993 60.0107 71.4797 172.1245 144 L 4.8499 8.5334 130.0950 54.2367 44.0198 174.9302 145 V 4.5631 8.8189 126.7032 61.5659 33.7776 174.1967 146 T 4.8117 8.6580 124.9896 61.8025 70.9829 173.3554 147 V 4.8728 8.7074 128.0888 61.3222 32.9654 175.6645 148 S 4.2787 8.7920 122.5521 58.8735 63.0497 174.2168 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 1 Q 8.34 4.32 0.00 2.09 1.86 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 2.18 1.96 0.00 2 V 8.50 4.85 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 0.83 0.00 0.00 0.78 0.00 0.00 3 Q 9.38 4.66 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 4 L 8.45 5.08 0.00 1.51 1.44 0.77 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.58 4.67 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 0.72 0.00 0.00 0.91 0.00 0.00 6 E 8.33 5.39 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.13 0.00 7 S 8.20 4.47 0.00 3.97 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 *9 G 8.85 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 10 G 7.63 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 11 N 8.51 5.07 0.00 3.03 2.57 0.00 0.00 6.41 6.54 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 12 L 8.33 5.00 0.00 1.69 1.53 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.82 4.62 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 0.65 0.00 0.00 0.91 0.00 0.00 14 Q 8.42 4.82 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.05 0.00 0.00 0.00 0.00 0.00 2.44 2.29 0.00 15 P 0.00 4.54 0.00 2.04 2.01 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 16 G 9.32 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 17 G 7.87 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.18 5.27 0.00 3.94 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 19 L 8.47 4.42 0.00 1.55 1.24 0.81 0.68 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 20 R 8.46 4.85 0.00 1.71 1.69 0.00 3.03 0.00 0.00 2.75 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 21 L 8.53 5.05 0.00 1.08 1.54 0.47 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.87 5.18 0.00 3.81 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 23 C 9.31 4.89 0.00 2.75 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 24 A 8.88 4.97 1.18 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 0.00 0.00 25 A 8.19 4.56 0.12 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 26 S 8.32 4.33 0.00 3.80 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 27 G 8.88 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 *29 F 7.36 4.59 0.00 3.34 3.19 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 30 T 8.43 4.24 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 1.29 0.00 0.00 31 F 9.45 4.81 0.00 2.90 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 32 G 8.30 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 33 S 8.22 4.00 0.00 3.98 3.73 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 0.00 0.00 0.00 *39 F 7.80 5.16 0.00 3.29 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 40 S 8.65 4.94 0.00 3.44 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 41 M 8.78 5.14 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.90 0.00 42 S 9.12 5.31 0.00 3.78 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 43 W 9.22 5.22 0.00 3.18 3.23 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 44 V 9.29 5.06 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 1.31 0.00 0.00 1.05 0.00 0.00 45 R 9.18 5.00 0.00 0.69 1.73 0.00 2.76 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.13 0.00 46 Q 9.09 5.02 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 47 A 8.58 4.70 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 48 P 0.00 4.29 0.00 2.07 2.04 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 49 G 8.93 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 50 G 8.02 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 0.00 0.00 0.00 51 G 8.02 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 52 L 8.34 4.71 0.00 1.60 1.75 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.12 4.75 0.00 2.06 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 2.29 2.31 0.00 54 W 9.23 4.56 0.00 3.39 3.19 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 55 V 7.65 4.08 2.23 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 1.16 0.00 0.00 1.00 0.00 0.00 56 A 6.28 4.00 1.13 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 0.00 0.00 0.00 0.00 0.00 57 G 8.25 4.43 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 0.00 58 L 8.46 5.50 0.00 1.51 1.49 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.70 4.30 0.00 3.89 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 60 A 8.87 4.53 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 61 R 7.72 4.01 0.00 1.78 1.89 0.00 3.36 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 *65 S 7.49 4.87 0.00 3.93 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 66 S 8.30 4.83 0.00 3.74 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 67 L 7.99 4.27 0.00 1.61 1.62 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.48 5.10 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 1.35 0.00 0.00 69 H 8.50 5.04 0.00 3.29 3.35 0.00 5.55 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.07 5.18 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 71 A 8.78 4.43 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 72 D 9.16 4.33 0.00 2.78 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 73 S 8.02 4.04 0.00 3.92 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 74 V 7.75 3.80 1.78 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 0.79 0.00 0.00 -0.35 0.00 0.00 75 K 7.14 3.75 0.00 1.70 1.68 0.00 1.84 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.66 7.81 76 G 8.68 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 77 R 7.59 4.55 0.00 1.68 2.25 0.00 3.04 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 78 F 7.93 5.37 0.00 2.71 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 9.00 4.74 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 1.29 0.00 0.00 80 I 9.02 5.07 1.96 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.20 0.80 0.00 0.00 81 S 9.03 4.93 0.00 3.98 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 82 R 8.60 4.85 0.00 1.89 1.87 0.00 2.95 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 83 D 8.87 4.83 0.00 3.09 2.73 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 0.00 0.00 0.00 84 N 8.79 4.35 0.00 2.85 2.88 0.00 0.00 6.91 8.12 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 85 A 8.23 4.01 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 86 K 8.42 4.27 0.00 1.85 1.89 0.00 2.07 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.64 7.81 87 N 7.93 4.15 0.00 2.92 2.70 0.00 0.00 6.67 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.22 5.20 0.00 3.80 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 89 V 8.78 4.80 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 1.31 0.00 0.00 0.35 0.00 0.00 90 Y 9.11 5.46 0.00 2.93 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 91 L 8.66 4.67 0.00 0.27 0.35 0.68 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 9.03 4.34 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.53 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 93 M 8.55 4.26 0.00 1.12 1.52 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.81 0.00 94 N 8.89 4.98 0.00 2.69 2.70 0.00 0.00 7.27 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 95 S 8.31 3.67 0.00 3.96 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 96 L 7.91 4.45 0.00 1.81 1.61 0.83 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.89 4.96 0.00 1.86 1.94 0.00 3.12 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 98 V 8.30 3.82 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 1.01 0.00 0.00 0.94 0.00 0.00 99 E 8.09 4.21 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 100 D 7.95 4.72 0.00 3.02 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 0.00 101 T 7.95 4.34 4.36 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 1.30 0.00 0.00 102 A 8.60 4.55 0.98 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 0.00 0.00 103 V 7.95 4.41 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.40 0.00 0.00 104 Y 9.17 5.01 0.00 2.97 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 9.80 5.49 0.00 3.33 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 0.00 106 C 8.71 4.87 0.00 2.01 1.18 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 0.00 107 A 8.11 4.79 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 0.00 108 R 8.28 4.75 0.00 1.91 2.04 0.00 2.27 0.00 0.00 2.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.39 0.00 109 R 8.70 4.67 0.00 1.83 1.85 0.00 3.19 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 110 S 8.19 4.26 0.00 3.77 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 *111 Y 9.15 3.83 0.00 2.26 2.36 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 0.00 112 D 8.15 4.63 0.00 2.69 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 0.00 113 S 8.10 5.03 0.00 4.33 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.30 4.86 0.00 3.95 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 0.00 115 G 7.62 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 0.00 0.00 0.00 0.00 *116 Y 8.46 3.85 0.00 2.25 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 *129 W 7.32 5.73 0.00 3.53 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 0.00 130 G 8.23 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.17 4.26 0.00 2.90 3.15 0.00 5.73 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 8.14 4.25 0.00 2.82 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 7.90 4.70 0.00 3.19 3.15 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 0.00 134 S 8.00 4.24 0.00 4.09 3.85 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 0.00 135 Y 8.65 5.11 0.00 3.09 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 0.00 136 M 9.22 5.32 0.00 1.58 1.81 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.34 0.00 137 D 8.88 4.72 0.00 2.82 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 0.00 138 V 7.36 4.36 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.59 0.00 0.00 139 W 8.81 5.04 0.00 3.10 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 0.00 140 G 9.22 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 0.00 141 Q 8.80 4.25 0.00 2.25 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.38 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 142 G 9.29 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.28 4.66 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 1.29 0.00 0.00 144 L 8.53 4.85 0.00 1.79 1.54 0.94 0.91 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 0.00 145 V 8.82 4.56 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 0.82 0.00 0.00 0.65 0.00 0.00 146 T 8.66 4.81 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 1.23 0.00 0.00 147 V 8.71 4.87 2.21 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 0.81 0.00 0.00 0.98 0.00 0.00 148 S 8.79 4.28 0.00 3.92 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 * Residues marked with a * may have inaccurate shift predictions.