NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.4284 8.2033 121.0260 55.4272 30.0438 173.5434 4 L 4.9878 8.4231 123.7503 51.0833 45.5352 170.4044 5 V 5.0446 9.0943 123.3479 60.4492 34.8805 174.1776 6 E 5.2183 9.0396 127.5868 56.1705 31.3392 175.2387 7 S 4.4720 9.1571 115.1677 58.4532 66.5701 175.7167 8 G 3.9983 8.6741 107.9315 45.8738 0.0000 173.8613 9 G 4.0261 7.2055 106.0572 45.9309 0.0000 172.7470 10 G 4.0688 7.5829 105.5642 46.3745 0.0000 171.5923 11 S 5.3711 8.6813 115.4863 56.8654 65.1803 174.4218 12 V 4.6037 9.0375 119.7923 60.2411 36.6336 175.2994 13 Q 4.8727 8.4713 121.0753 54.4036 29.8311 174.5134 14 A 4.1541 8.0053 122.9624 54.5451 18.7258 178.7854 15 G 3.9041 9.5244 110.9437 45.1520 0.0000 173.8700 16 G 3.9649 7.9852 107.6714 45.8078 0.0000 172.9373 17 S 5.3707 7.8767 115.6077 56.7507 65.9756 173.5635 18 L 4.2563 7.7813 119.0937 54.5184 46.0668 172.8535 19 R 4.8540 7.9899 124.7522 54.5580 33.1154 173.8139 20 L 4.7306 8.4150 126.5869 53.5243 43.9889 175.8619 21 S 5.2638 9.0666 117.7836 56.9866 67.3741 172.8330 22 C 5.1800 8.9938 122.3473 57.8452 34.7193 172.3346 23 A 4.9876 8.7469 128.6281 50.5499 20.4597 175.2440 24 A 5.1768 8.8594 125.5342 50.2084 20.7687 176.2086 25 S 4.5675 9.4170 116.7670 56.1594 66.4009 174.6726 26 G 3.9551 9.1177 107.0941 45.3051 0.0000 174.7339 *27 F 4.3880 8.1842 124.1004 55.3857 40.2116 173.8225 *30 S 4.3994 8.3763 110.6095 59.3790 64.4241 173.4931 31 R 4.2595 7.6850 121.0020 56.3490 30.7979 176.1642 32 K 4.0819 8.7334 123.0330 58.4167 33.5081 176.2721 33 Y 5.0660 6.2431 115.1191 56.2089 41.1460 173.5190 34 M 5.3419 8.8868 119.4706 53.9618 36.8141 174.5918 35 G 4.2908 8.8873 107.3559 44.7946 0.0000 171.1909 36 W 5.4116 9.2458 120.3198 54.8466 31.6499 175.6131 37 F 5.4943 9.8643 122.8856 55.7905 42.9697 174.2297 38 R 5.1237 9.0486 115.7998 54.9684 32.8993 173.8332 39 Q 4.8719 9.2582 121.9192 54.5427 32.6330 173.7110 40 A 4.5935 8.2391 128.0060 50.3861 20.4321 172.5854 41 P 4.3255 0.0000 0.0000 62.9171 31.6502 177.0475 42 G 3.9167 8.6831 108.8342 47.1378 0.0000 173.7317 43 K 4.1926 12.0000 121.6743 56.3416 32.7220 176.8666 44 E 4.3987 8.1844 116.0942 54.4108 31.3277 175.2422 45 R 4.3818 8.0832 118.7121 56.6933 30.0175 175.0318 46 E 4.3885 9.0160 129.0440 55.5590 31.0247 175.6423 47 G 3.7937 8.7960 114.2921 45.3795 0.0000 173.5333 48 V 4.5325 8.4239 116.8323 61.7569 34.8845 175.5433 49 A 4.8769 7.4278 118.9672 50.8721 22.4637 175.1463 50 A 5.0039 8.5914 122.3347 50.1171 23.3165 174.9096 51 I 4.9243 8.5843 120.0869 59.2088 41.8543 174.0756 52 F 4.9723 9.3466 128.5959 56.4871 39.7326 176.5109 53 I 3.7147 8.5496 125.9817 64.7323 37.3206 177.0148 54 D 4.5814 8.6793 117.7819 56.9580 40.7206 176.5663 55 N 4.8132 8.3329 113.2309 51.7210 38.1822 175.3147 56 G 4.4267 8.7413 106.9116 46.4733 0.0000 173.5381 57 N 4.8402 7.7652 118.4926 53.6702 40.0650 173.9862 58 T 5.3947 8.5348 113.4282 60.0611 72.4798 172.8072 59 I 4.8761 8.2796 114.8896 59.7043 41.3215 173.5348 60 Y 5.3352 8.5482 119.6991 56.0571 42.3475 174.8622 61 A 4.2782 8.8309 122.6701 51.7283 19.7438 178.6505 62 D 4.3493 8.9622 120.2306 57.5646 41.0691 179.3219 63 S 4.3243 8.0054 111.4909 60.0259 63.3267 174.7920 64 V 3.8311 7.5024 112.9132 60.3900 33.0610 175.2470 65 Q 3.7789 7.2903 120.4672 57.8246 28.9683 176.9024 66 G 3.9748 8.7891 113.6238 45.1187 0.0000 173.6253 67 R 4.5926 8.2149 117.7299 56.5028 33.1938 175.8803 68 F 5.6026 8.2879 115.9480 55.9050 41.7166 175.7190 69 T 4.8637 8.8081 111.8813 60.2326 71.6421 172.4473 70 I 5.2078 9.2165 127.4406 59.8515 40.0948 174.3711 71 S 4.9110 8.9151 121.8681 57.8986 66.8294 172.5261 72 Q 5.3959 8.5564 117.3368 54.4793 31.3362 175.0190 73 D 4.5947 9.0365 121.1913 55.5653 39.5507 176.6118 *74 N 4.7232 8.8534 114.3703 52.3650 35.9500 180.6443 75 A 4.2028 7.7907 117.7845 52.5486 19.4996 176.8991 76 K 3.9436 8.2836 114.3108 58.0432 29.4481 174.8606 77 N 5.0761 8.7444 112.6390 52.5565 39.9673 175.3558 78 T 5.0622 7.9458 116.0729 62.0958 73.1167 173.0147 79 V 4.8944 8.4301 118.2494 59.7831 35.4220 174.3402 80 Y 5.3800 9.5644 121.1195 56.2099 42.2101 174.7433 81 L 4.8755 8.9137 123.6542 53.2407 44.7208 175.1379 82 Q 4.2641 9.2235 129.8889 55.6656 30.3187 174.4832 83 M 3.9337 8.7681 128.1185 53.7044 33.4258 175.1244 84 N 5.0943 8.3712 120.6015 50.5907 42.5266 174.3911 85 S 3.7023 8.5258 113.0706 59.5112 60.6898 173.3039 86 L 4.4900 7.6589 118.6053 55.0179 42.4886 177.2270 87 K 5.0100 8.9145 119.9493 53.7415 36.1254 175.7656 88 P 4.3940 0.0000 0.0000 66.5906 31.3317 179.4637 89 E 4.1718 8.1411 112.2871 58.2947 29.7536 179.6807 90 D 4.7489 8.2218 116.4565 57.4927 41.2401 177.0957 91 T 4.3048 7.8216 116.0337 64.0162 69.0071 173.7339 92 A 4.3077 8.6811 127.3046 52.3135 24.1468 174.3161 93 M 4.6375 8.1247 119.1575 54.9290 33.3334 174.6258 94 Y 5.2156 9.1653 125.3839 57.4942 39.8744 174.5187 95 Y 5.4297 9.8106 121.5858 56.5017 41.9180 174.3607 96 C 4.4031 9.6101 122.7875 58.1435 33.8109 172.2264 97 A 4.5714 8.0613 124.1679 50.2650 22.6755 174.8882 98 A 5.1048 8.5159 120.3877 50.4299 23.5688 175.1850 99 S 5.2652 8.3245 113.0516 55.6412 65.6537 174.5202 100 S 5.1490 8.4884 119.4712 57.2006 63.3217 173.8051 101 R 4.4906 6.9690 118.4653 54.5124 33.5511 175.9391 102 W 4.7648 8.4191 121.5175 55.7653 27.7427 176.1877 103 M 4.4761 8.4208 120.7108 55.3543 32.3002 175.6708 104 D 4.7669 8.3820 118.8425 54.9965 41.7889 175.3942 105 Y 4.8734 7.6710 113.2213 55.2932 42.3002 175.4980 106 S 4.2341 8.6238 115.3903 58.4743 62.9287 174.5634 107 A 4.0973 8.6509 128.0468 53.3977 18.3649 177.7267 108 L 4.5451 8.1260 116.2124 54.4509 42.4459 175.8684 109 T 5.1546 8.1093 110.1518 59.4082 71.0435 175.1697 110 A 3.8054 9.0340 127.3564 55.2270 18.4838 179.1639 111 K 3.9179 8.1895 114.7212 58.2883 32.2038 176.7449 112 A 4.6469 8.2694 119.9081 52.6523 19.3426 176.1849 113 Y 4.6526 8.2382 113.9124 56.1703 41.2517 175.1506 114 N 5.1363 8.5116 117.4467 52.5844 40.0735 173.8170 115 S 5.1923 7.9018 115.8404 56.5763 66.2592 173.2064 116 W 5.2894 8.7335 122.1469 55.1674 33.2511 175.6044 117 G 4.1212 8.7719 109.5326 45.6486 0.0000 172.9821 118 Q 4.4285 8.9415 116.6817 56.0642 29.7433 176.6483 119 G 3.6368 9.3265 103.1655 44.9203 0.0000 172.5213 120 T 4.6179 8.6795 114.1223 60.1159 71.2375 172.6777 121 Q 4.6407 8.7722 130.0130 55.9481 30.7840 174.4051 122 V 4.6873 8.9952 125.9635 61.4825 34.5284 174.0854 123 T 4.7560 9.2764 125.3713 61.8141 71.2146 173.4355 124 V 4.8088 9.2572 128.8018 61.2228 32.7386 175.0865 125 S 4.4856 9.0398 126.7257 58.0054 65.0111 175.5423 *126 S 4.2574 8.4937 117.5606 58.4962 62.7865 172.6003 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 3 Q 8.20 4.43 0.00 1.76 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.26 1.97 0.00 4 L 8.42 4.99 0.00 1.58 1.42 0.73 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 5 V 9.09 5.04 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 1.34 0.00 0.00 0.93 0.00 0.00 6 E 9.04 5.22 0.00 2.01 2.22 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 2.54 2.33 0.00 7 S 9.16 4.47 0.00 3.89 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 8 G 8.67 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 9 G 7.21 4.03 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 0.00 0.00 0.00 10 G 7.58 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.68 5.37 0.00 3.71 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 12 V 9.04 4.60 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 0.67 0.00 0.00 0.88 0.00 0.00 13 Q 8.47 4.87 0.00 1.74 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.33 1.93 0.00 14 A 8.01 4.15 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 15 G 9.52 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 16 G 7.99 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 17 S 7.88 5.37 0.00 3.67 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 18 L 7.78 4.26 0.00 1.56 1.17 0.85 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.99 4.85 0.00 1.79 1.67 0.00 3.15 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 20 L 8.41 4.73 0.00 0.57 0.97 0.06 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.07 5.26 0.00 3.78 3.65 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 22 C 8.99 5.18 0.00 2.58 2.58 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 23 A 8.75 4.99 1.21 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 24 A 8.86 5.18 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 25 S 9.42 4.57 0.00 3.75 3.77 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 26 G 9.12 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 *27 F 8.18 4.39 0.00 2.31 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 0.00 0.00 0.00 *30 S 8.38 4.40 0.00 3.94 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 31 R 7.68 4.26 0.00 1.69 1.70 0.00 3.09 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 32 K 8.73 4.08 0.00 0.79 0.74 0.00 1.41 0.00 0.00 1.42 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.71 0.21 7.81 33 Y 6.24 5.07 0.00 2.62 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 34 M 8.89 5.34 0.00 1.79 1.82 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 35 G 8.89 4.29 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 0.00 36 W 9.25 5.41 0.00 3.30 3.26 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 37 F 9.86 5.49 0.00 3.20 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 38 R 9.05 5.12 0.00 1.03 0.74 0.00 2.54 0.00 0.00 2.93 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 39 Q 9.26 4.87 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.48 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 40 A 8.24 4.59 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 41 P 0.00 4.33 0.00 2.19 2.08 0.00 3.66 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 2.14 2.14 0.00 42 G 8.68 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 43 K 12.00 4.19 0.00 1.80 1.78 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.54 7.81 44 E 8.18 4.40 0.00 1.98 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.85 0.00 45 R 8.08 4.38 0.00 1.72 1.70 0.00 2.26 0.00 0.00 2.76 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 46 E 9.02 4.39 0.00 2.16 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 0.00 2.31 2.30 0.00 47 G 8.80 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 48 V 8.42 4.53 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 0.73 0.00 0.00 1.24 0.00 0.00 49 A 7.43 4.88 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.59 5.00 1.04 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 51 I 8.58 4.92 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.71 0.95 0.00 0.00 52 F 9.35 4.97 0.00 3.23 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.55 3.71 1.93 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 1.23 0.79 0.94 0.00 0.00 54 D 8.68 4.58 0.00 2.80 2.89 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 55 N 8.33 4.81 0.00 2.97 3.05 0.00 0.00 6.08 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.74 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 57 N 7.77 4.84 0.00 2.88 2.89 0.00 0.00 6.71 7.10 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 58 T 8.53 5.39 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 1.33 0.00 0.00 59 I 8.28 4.88 1.93 0.00 0.00 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 1.26 0.78 1.09 0.00 0.00 60 Y 8.55 5.34 0.00 2.81 2.88 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 61 A 8.83 4.28 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.96 4.35 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 63 S 8.01 4.32 0.00 3.91 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 64 V 7.50 3.83 0.89 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 0.13 0.00 0.00 1.03 0.00 0.00 65 Q 7.29 3.78 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.52 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 66 G 8.79 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 67 R 8.21 4.59 0.00 1.98 2.40 0.00 3.37 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 68 F 8.29 5.60 0.00 2.77 3.06 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 69 T 8.81 4.86 4.35 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 1.20 0.00 0.00 70 I 9.22 5.21 2.07 0.00 0.00 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 1.44 1.41 0.81 0.00 0.00 71 S 8.92 4.91 0.00 4.03 4.05 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 72 Q 8.56 5.40 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.13 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 73 D 9.04 4.59 0.00 2.90 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 N 8.85 4.72 0.00 2.83 3.20 0.00 0.00 6.67 7.46 0.00 0.00 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 A 7.79 4.20 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 76 K 8.28 3.94 0.00 1.91 1.88 0.00 1.73 0.00 0.00 2.02 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.55 7.81 77 N 8.74 5.08 0.00 2.73 2.96 0.00 0.00 6.80 7.30 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 78 T 7.95 5.06 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 79 V 8.43 4.89 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 0.69 0.00 0.00 0.70 0.00 0.00 80 Y 9.56 5.38 0.00 2.90 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 81 L 8.91 4.88 0.00 0.27 0.45 1.02 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 9.22 4.26 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.54 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 83 M 8.77 3.93 0.00 1.03 1.56 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.00 0.00 84 N 8.37 5.09 0.00 2.67 2.66 0.00 0.00 7.22 7.55 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 85 S 8.53 3.70 0.00 4.01 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 86 L 7.66 4.49 0.00 1.82 1.62 0.84 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.91 5.01 0.00 1.82 1.68 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.55 7.81 88 P 0.00 4.39 0.00 2.20 2.13 0.00 3.62 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 2.13 2.11 0.00 89 E 8.14 4.17 0.00 1.98 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 2.23 1.91 0.00 90 D 8.22 4.75 0.00 3.01 3.06 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 91 T 7.82 4.30 4.38 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 1.29 0.00 0.00 92 A 8.68 4.31 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 93 M 8.12 4.64 0.00 2.39 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.46 0.00 94 Y 9.17 5.22 0.00 3.18 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 95 Y 9.81 5.43 0.00 3.19 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 96 C 9.61 4.40 0.00 1.89 2.43 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 97 A 8.06 4.57 -0.52 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 98 A 8.52 5.10 0.99 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 99 S 8.32 5.27 0.00 3.15 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 0.00 100 S 8.49 5.15 0.00 3.91 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 0.00 101 R 6.97 4.49 0.00 1.91 1.79 0.00 3.27 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 102 W 8.42 4.76 0.00 3.36 3.26 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 0.00 103 M 8.42 4.48 0.00 2.49 2.28 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.87 0.00 104 D 8.38 4.77 0.00 2.52 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 0.00 105 Y 7.67 4.87 0.00 2.98 2.89 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 0.00 106 S 8.62 4.23 0.00 3.94 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 0.00 107 A 8.65 4.10 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 0.00 108 L 8.13 4.55 0.00 1.81 1.70 0.97 0.44 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 0.00 109 T 8.11 5.15 4.40 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 1.36 0.00 0.00 110 A 9.03 3.81 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 0.00 111 K 8.19 3.92 0.00 1.60 1.60 0.00 1.61 0.00 0.00 1.31 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.42 1.13 7.81 112 A 8.27 4.65 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 0.00 113 Y 8.24 4.65 0.00 2.43 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.51 5.14 0.00 2.72 2.99 0.00 0.00 5.85 7.64 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 0.00 115 S 7.90 5.19 0.00 3.63 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 0.00 116 W 8.73 5.29 0.00 3.06 3.09 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 0.00 117 G 8.77 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Q 8.94 4.43 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.62 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 119 G 9.33 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 0.00 0.00 0.00 120 T 8.68 4.62 4.29 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 1.35 0.00 0.00 121 Q 8.77 4.64 0.00 2.24 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.62 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 122 V 9.00 4.69 2.14 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 0.84 0.00 0.00 0.43 0.00 0.00 123 T 9.28 4.76 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 0.00 124 V 9.26 4.81 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 1.00 0.00 0.00 125 S 9.04 4.49 0.00 3.93 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 *126 S 8.49 4.26 0.00 3.62 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 * Residues marked with a * may have inaccurate shift predictions.