NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 D 4.5470 8.3493 120.1787 54.0593 41.3726 174.4255 29 S 4.3844 7.5580 119.0049 54.9302 67.3884 173.3736 30 A 3.9806 8.9307 125.2724 55.3114 18.4943 180.9445 31 A 3.4546 7.3139 118.7457 54.9966 18.3020 179.8692 32 G 3.5164 7.9590 104.2919 48.0343 0.0000 175.6412 33 N 4.3490 8.3188 118.8171 56.0336 38.4976 177.7440 34 V 3.6030 7.7252 119.4133 65.8041 31.6357 178.0357 35 V 3.6363 7.7448 118.0624 66.2238 31.3409 178.2254 36 K 3.9991 8.2544 118.0795 59.4341 31.8147 179.0397 37 Q 4.0221 8.4031 120.1338 59.1431 28.8858 178.3011 38 F 4.3847 8.4951 121.5313 61.7577 39.6452 176.7026 39 H 3.9914 8.2315 115.5588 58.7722 28.3031 177.5908 40 A 3.9392 7.9099 120.7211 55.2633 18.5193 179.0769 41 A 4.1054 8.3287 119.5625 55.4899 18.1900 179.8981 42 L 3.9707 7.7862 116.5095 57.6750 41.6888 178.9066 43 Q 4.3265 7.6372 116.1672 56.0768 29.3949 176.6409 *45 G 3.7048 7.9925 106.5983 45.4303 0.0000 174.5988 46 N 4.6500 8.2509 120.8785 51.5940 38.3686 173.6416 47 E 3.9646 8.5324 127.8396 58.8745 29.9702 177.8895 48 A 4.0258 8.0951 120.2727 55.4791 18.2901 179.5761 49 I 3.8371 7.8285 116.8050 64.0702 37.5314 178.4822 50 V 4.0342 7.9154 119.3419 66.3240 31.2702 178.1578 51 R 4.0076 8.2449 117.6680 59.5657 29.7634 178.9255 52 Q 3.9986 8.0866 117.7569 59.0481 29.2952 177.9726 53 S 4.3563 8.1427 115.7038 58.9290 63.1590 173.7148 54 L 4.7380 6.9413 121.1876 52.4056 43.2694 176.4271 55 A 4.0937 8.6711 126.2707 51.7550 19.2324 178.2852 56 A 4.0441 8.7497 123.8480 55.0640 18.4599 178.6120 57 N 5.2712 7.7939 111.5589 52.5559 38.0655 176.1629 58 V 3.8481 7.7395 119.1223 63.0563 32.2903 174.8198 59 Q 4.7880 8.6457 124.3546 54.5387 31.4392 174.1012 60 I 4.5394 8.9637 126.9741 59.7537 40.5159 173.9126 61 Y 5.2219 8.7801 126.2329 56.4544 39.9020 174.8553 62 E 4.9692 9.5132 125.4199 55.5164 33.8453 175.3106 63 G 3.7420 9.9438 115.6892 46.7245 0.0000 174.4501 64 G 3.9132 8.6544 106.8961 44.6740 0.0000 174.1823 65 K 4.6474 7.9346 119.4082 54.1593 34.8353 175.4117 66 V 4.9941 8.1956 121.0156 59.9210 33.9462 174.7272 67 E 5.0582 8.8768 122.6973 54.2943 31.1444 176.7060 68 R 4.5994 9.2081 120.5231 56.0838 31.5781 176.4090 69 S 4.7154 7.5091 112.3011 55.7674 67.0425 174.5672 70 L 4.0540 8.6137 124.5720 58.7252 41.7942 179.3401 71 T 3.8743 7.9895 115.1040 66.6779 68.5294 175.7989 72 E 3.9381 8.3317 120.9335 59.4661 29.3449 178.0722 73 Y 4.3204 8.1646 119.1914 60.9655 38.6953 178.1638 74 A 3.9401 8.5301 120.2263 54.9994 18.4886 179.0368 75 N 4.5107 8.1403 114.7522 56.1947 38.7335 174.2934 *76 H 4.6992 7.8762 112.0210 57.0102 31.1141 175.9962 77 H 4.2964 7.7860 117.7402 55.2076 29.3706 177.5362 *79 L 4.2376 8.0630 118.9767 54.2657 43.6708 178.3415 80 A 4.1532 7.8106 121.4635 55.5088 18.6012 180.3141 81 D 4.5110 8.5031 113.3369 55.0647 40.5600 178.4426 *83 A 4.2533 8.1434 124.1428 52.4799 20.4777 179.2163 84 Y 2.9485 7.9410 115.6722 60.4587 38.9657 177.7135 85 L 3.8150 7.7310 118.9053 56.6832 42.0762 179.0999 86 K 3.7947 7.6025 119.6426 59.1451 32.1465 177.3522 87 G 4.1772 7.8814 104.1922 46.0008 0.0000 172.9994 88 L 5.1289 7.7757 119.0177 52.7572 45.3885 176.0936 89 T 4.4523 8.9068 118.7459 62.0279 70.7166 173.6055 90 I 4.7091 8.3497 127.5585 60.0860 39.0032 175.3294 91 T 4.4742 8.8039 125.9966 61.0153 69.9478 172.9576 92 P 4.6003 0.0000 0.0000 62.6271 31.5458 175.7274 93 K 4.6187 8.8222 122.4847 57.5591 34.2852 176.2472 94 E 4.8400 7.8607 115.6045 55.6418 33.2185 173.3447 95 H 5.2668 8.4300 118.9552 55.5340 33.0663 172.6396 96 Q 4.7257 9.5083 124.3193 54.1651 32.8006 174.2302 97 I 4.9719 8.3461 122.8390 59.7851 40.6155 174.7528 98 T 4.5481 9.0413 123.6457 61.7812 71.1416 173.0359 99 I 4.6757 8.3201 127.1752 60.0059 39.1402 175.8922 100 T 4.4588 8.9395 123.9463 62.2189 70.9368 175.2075 101 G 3.9679 8.2162 119.5804 47.1801 0.0000 172.4821 102 D 4.5619 8.7728 125.6790 53.9778 40.9668 174.7732 103 I 5.3763 7.9376 120.0103 59.1702 41.5327 173.9597 104 A 5.1622 9.5044 129.5928 50.1270 22.6959 174.8139 105 I 4.8149 8.7841 122.2391 59.5588 40.2843 174.4449 106 S 5.3201 8.9894 123.0134 56.6865 64.5299 172.7209 107 T 5.2563 9.0172 117.5843 59.9715 71.1282 173.1029 108 S 5.1850 9.1256 120.0845 56.6508 66.8563 173.3893 109 I 4.8936 8.7433 121.1455 59.9184 40.9667 174.8206 110 S 5.0799 9.0560 121.4499 57.0400 68.0233 172.0847 111 H 4.9172 9.2127 121.0837 54.5132 31.9246 172.5431 112 A 5.0913 9.0162 128.1853 50.3499 21.2763 175.3478 113 Q 4.7415 9.8007 121.2577 52.7819 33.0153 175.0215 114 G 4.0582 7.5411 113.1955 46.1582 0.0000 172.3032 115 E 5.1935 8.0757 120.2418 54.4746 34.0622 171.7563 116 Y 4.7802 8.5957 120.9374 57.2438 41.9683 175.4515 117 K 3.5406 9.1610 126.8044 57.5074 29.6278 176.1758 118 G 3.8445 8.1985 103.9536 45.4393 0.0000 173.3579 119 K 4.4765 7.7997 121.9660 54.2374 33.6172 175.3366 120 S 4.7703 8.6708 122.8454 58.7304 63.6537 173.4350 121 I 4.4663 8.9658 125.9733 59.6980 39.7306 174.7992 122 D 5.1130 8.6275 126.6035 53.0223 42.4327 174.3915 123 S 4.2921 9.0662 129.6925 58.0747 70.0800 175.2214 *125 T 4.4509 8.3186 109.5595 61.2717 70.5323 170.8067 *127 E 4.8146 8.4198 120.4881 56.9888 31.2285 175.0843 128 T 5.0273 8.6819 123.5770 61.8221 71.0974 173.3462 129 L 5.0647 8.9964 126.4304 52.7976 45.6026 175.4844 130 V 4.6768 8.4202 122.7827 61.1909 33.7876 174.3214 131 L 5.3872 9.0778 127.7195 53.0338 45.1624 175.3905 132 I 5.1279 8.6913 123.1905 59.2959 40.5338 174.6413 133 K 3.6535 8.0911 128.4013 55.7730 32.6633 176.9959 134 Q 4.2161 8.6537 127.0233 54.3728 30.0408 176.6324 135 A 3.9031 8.4129 121.6532 55.0407 18.2857 178.1122 136 D 4.6002 8.0122 112.7692 53.1360 39.7562 177.2736 137 G 3.8124 7.9287 109.6688 45.2077 0.0000 174.2971 138 R 4.0895 7.9874 121.1413 56.0826 31.2215 175.4139 139 W 4.9444 8.7461 125.8579 55.9748 30.4358 175.8501 140 K 4.8530 8.8689 122.8657 54.5222 36.1361 175.4961 141 I 4.3992 8.8795 125.6913 61.4712 37.7339 176.5027 142 T 4.4693 9.1909 117.2515 62.0824 71.2238 173.6907 143 H 5.2319 7.7370 121.4432 54.5297 33.8955 171.9549 144 V 4.3921 8.1415 124.1380 61.0932 34.9474 173.4616 145 H 5.1919 8.8653 127.2110 54.3173 32.4076 171.8395 146 W 5.6042 9.0258 126.3997 55.0140 31.5299 176.5420 147 S 4.2513 8.5836 117.2863 58.8187 62.4113 173.7773 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 28 D 8.35 4.55 0.00 2.63 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 29 S 7.56 4.38 0.00 3.98 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 30 A 8.93 3.98 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.31 3.45 0.08 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 32 G 7.96 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 33 N 8.32 4.35 0.00 2.93 2.90 0.00 0.00 6.63 7.20 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 34 V 7.73 3.60 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 1.02 0.00 0.00 1.06 0.00 0.00 35 V 7.74 3.64 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 0.98 0.00 0.00 0.93 0.00 0.00 36 K 8.25 4.00 0.00 1.86 1.87 0.00 1.75 0.00 0.00 1.58 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.60 7.81 37 Q 8.40 4.02 0.00 2.19 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 38 F 8.50 4.38 0.00 3.16 3.32 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 39 H 8.23 3.99 0.00 3.40 3.29 0.00 5.69 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 40 A 7.91 3.94 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 41 A 8.33 4.11 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.79 3.97 0.00 1.54 1.57 0.34 0.91 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 43 Q 7.64 4.33 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.23 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 *45 G 7.99 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.25 4.65 0.00 2.76 2.76 0.00 0.00 6.89 7.61 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 47 E 8.53 3.96 0.00 2.09 1.96 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 2.41 2.42 0.00 48 A 8.10 4.03 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 49 I 7.83 3.84 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.75 1.00 0.00 0.00 50 V 7.92 4.03 2.37 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 1.43 0.00 0.00 1.13 0.00 0.00 51 R 8.24 4.01 0.00 2.11 2.03 0.00 3.23 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 52 Q 8.09 4.00 0.00 2.17 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 53 S 8.14 4.36 0.00 4.18 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 54 L 6.94 4.74 0.00 1.60 1.50 1.03 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.67 4.09 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 56 A 8.75 4.04 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 57 N 7.79 5.27 0.00 2.71 2.88 0.00 0.00 6.03 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 58 V 7.74 3.85 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 0.60 0.00 0.00 0.76 0.00 0.00 59 Q 8.65 4.79 0.00 2.11 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.16 2.37 0.00 60 I 8.96 4.54 1.79 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.30 0.60 0.00 0.00 61 Y 8.78 5.22 0.00 2.68 2.63 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 62 E 9.51 4.97 0.00 2.38 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 2.33 2.68 0.00 63 G 9.94 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 64 G 8.65 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 65 K 7.93 4.65 0.00 2.06 1.70 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.34 1.20 7.81 66 V 8.20 4.99 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 0.75 0.00 0.00 1.11 0.00 0.00 67 E 8.88 5.06 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 68 R 9.21 4.60 0.00 1.88 1.95 0.00 3.20 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 69 S 7.51 4.72 0.00 4.15 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 70 L 8.61 4.05 0.00 2.01 1.75 1.09 0.96 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 71 T 7.99 3.87 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 72 E 8.33 3.94 0.00 2.09 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 0.00 2.39 2.37 0.00 73 Y 8.16 4.32 0.00 3.12 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 74 A 8.53 3.94 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 75 N 8.14 4.51 0.00 2.93 2.89 0.00 0.00 6.78 7.88 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 *76 H 7.88 4.70 0.00 3.18 3.15 0.00 6.83 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 7.79 4.30 0.00 3.41 3.35 0.00 5.70 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *79 L 8.06 4.24 0.00 1.67 1.75 0.91 0.84 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 80 A 7.81 4.15 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 81 D 8.50 4.51 0.00 2.74 2.64 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 *83 A 8.14 4.25 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 84 Y 7.94 2.95 0.00 2.34 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 85 L 7.73 3.82 0.00 1.66 1.55 0.80 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.60 3.79 0.00 1.70 1.89 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.43 7.81 87 G 7.88 4.18 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 0.00 88 L 7.78 5.13 0.00 1.39 1.35 0.20 0.51 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 89 T 8.91 4.45 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 90 I 8.35 4.71 1.79 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.71 0.82 0.00 0.00 91 T 8.80 4.47 4.28 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 1.22 0.00 0.00 92 P 0.00 4.60 0.00 1.95 2.02 0.00 3.68 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 93 K 8.82 4.62 0.00 1.80 1.82 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.50 7.81 94 E 7.86 4.84 0.00 2.01 2.00 0.00 0.00 0.00 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 2.32 0.00 95 H 8.43 5.27 0.00 3.14 3.15 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 9.51 4.73 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.17 0.00 97 I 8.35 4.97 1.74 0.00 0.00 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 1.32 0.42 0.74 0.00 0.00 98 T 9.04 4.55 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 1.19 0.00 0.00 99 I 8.32 4.68 1.83 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.39 0.98 0.00 0.00 100 T 8.94 4.46 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 101 G 8.22 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 0.00 102 D 8.77 4.56 0.00 2.69 2.57 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 0.00 103 I 7.94 5.38 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.88 1.00 0.00 0.00 104 A 9.50 5.16 0.64 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 0.00 0.00 105 I 8.78 4.81 1.85 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 1.10 0.94 0.90 0.00 0.00 106 S 8.99 5.32 0.00 3.87 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 0.00 107 T 9.02 5.26 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 0.00 108 S 9.13 5.19 0.00 3.84 3.51 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 0.00 109 I 8.74 4.89 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.71 0.97 0.00 0.00 110 S 9.06 5.08 0.00 3.69 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 0.00 111 H 9.21 4.92 0.00 3.19 3.15 0.00 5.74 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 0.00 112 A 9.02 5.09 1.12 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 0.00 113 Q 9.80 4.74 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.15 0.00 114 G 7.54 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 0.00 115 E 8.08 5.19 0.00 1.88 1.65 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 2.15 2.10 0.00 116 Y 8.60 4.78 0.00 2.80 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 0.00 117 K 9.16 3.54 0.00 1.59 1.61 0.00 1.63 0.00 0.00 1.30 0.00 0.00 2.58 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.30 0.80 7.81 118 G 8.20 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 0.00 0.00 0.00 119 K 7.80 4.48 0.00 1.80 1.87 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.41 7.81 120 S 8.67 4.77 0.00 3.80 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 0.00 121 I 8.97 4.47 1.82 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.18 0.95 0.00 0.00 122 D 8.63 5.11 0.00 2.64 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.07 4.29 0.00 3.90 3.43 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 *125 T 8.32 4.45 4.22 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 1.19 0.00 0.00 *127 E 8.42 4.81 0.00 2.42 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 0.00 2.40 2.62 0.00 128 T 8.68 5.03 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 1.20 0.00 0.00 129 L 9.00 5.06 0.00 1.47 1.38 1.03 0.42 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 0.00 130 V 8.42 4.68 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 0.90 0.00 0.00 0.90 0.00 0.00 131 L 9.08 5.39 0.00 1.69 1.79 0.81 0.56 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 0.00 132 I 8.69 5.13 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.74 0.89 0.00 0.00 133 K 8.09 3.65 0.00 0.79 1.05 0.00 1.46 0.00 0.00 1.41 0.00 0.00 2.72 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.85 0.26 7.81 134 Q 8.65 4.22 0.00 2.16 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.54 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 135 A 8.41 3.90 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 0.00 136 D 8.01 4.60 0.00 2.73 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 0.00 137 G 7.93 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 0.00 138 R 7.99 4.09 0.00 1.91 1.87 0.00 3.08 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 139 W 8.75 4.94 0.00 3.23 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 0.00 140 K 8.87 4.85 0.00 1.65 1.61 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.36 7.81 141 I 8.88 4.40 1.48 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.48 0.62 0.00 0.00 142 T 9.19 4.47 4.18 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 1.17 0.00 0.00 143 H 7.74 5.23 0.00 3.04 2.97 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 8.14 4.39 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 -0.71 0.00 0.00 0.38 0.00 0.00 145 H 8.87 5.19 0.00 3.08 3.04 0.00 5.61 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 W 9.03 5.60 0.00 3.45 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 0.00 147 S 8.58 4.25 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.