NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.1701 8.1832 117.5822 52.3163 38.8943 174.9129 2 L 4.1232 8.2171 117.5358 56.9568 41.1736 178.7935 3 F 4.0927 9.2922 121.7067 61.6621 39.6776 176.8360 4 Q 4.1440 8.9795 117.7937 58.6765 28.4652 178.2242 5 F 4.4184 8.5188 121.6259 61.3780 39.4054 176.9207 6 A 3.6654 8.1935 120.4262 55.1724 18.1097 179.8061 7 K 3.8787 7.6461 116.7910 59.6452 32.0749 179.5422 8 M 4.2429 8.1254 119.0890 58.4436 31.8025 178.8172 9 I 3.5945 7.6460 119.8059 64.5190 37.1998 178.2712 10 N 4.4540 8.4008 117.7821 56.3386 38.1122 177.8270 11 G 3.0591 8.3339 106.4142 47.1419 0.0000 175.5975 12 K 4.2017 8.1179 119.9928 58.5450 32.4295 178.4516 13 L 4.5737 8.1193 117.2478 53.2045 43.3298 176.2923 14 G 3.9651 7.4034 105.9722 43.6898 0.0000 172.9580 *16 A 3.9554 8.1588 122.9412 52.9142 19.5650 177.6528 17 F 3.9273 8.0659 117.0387 58.2584 37.5970 177.4451 18 S 4.1214 7.9041 117.8136 61.6353 62.4819 176.6864 19 V 3.5053 8.1708 122.0635 64.7157 30.5440 178.3169 20 W 4.7276 7.0881 117.8690 59.1237 28.9189 177.6334 21 N 4.4481 8.2258 115.7504 54.9521 37.8496 175.2370 22 Y 4.4943 7.4643 116.7191 57.6335 38.7695 176.8326 23 I 3.9990 7.8183 124.0290 64.3100 37.6777 175.6411 24 S 4.6305 7.5565 115.9934 57.6759 63.1925 171.5614 25 Y 4.7770 8.8662 128.4210 56.4637 42.0505 176.6517 26 G 3.8653 7.6975 115.7694 45.7086 0.0000 172.2170 27 C 4.3787 8.8805 113.9052 58.2758 40.7423 174.5246 28 Y 4.5590 8.5800 115.0009 57.6434 39.8474 175.0331 29 C 4.5214 8.5627 118.4621 57.8452 39.5116 172.3985 30 G 4.4396 8.5959 117.7589 45.0909 0.0000 174.8954 31 W 4.8184 8.0260 132.2159 55.1569 34.5935 177.0700 32 G 3.8933 7.3347 108.4386 45.5368 0.0000 174.4307 33 G 4.1306 9.6921 112.4087 44.7333 0.0000 172.5727 34 Q 4.4154 7.2071 117.6075 55.6589 31.7902 173.6553 35 G 4.2037 8.8933 109.1755 44.5939 0.0000 172.4280 36 T 4.2572 7.9191 114.9475 61.4811 69.3896 173.5597 37 P 4.6075 0.0000 0.0000 63.1929 31.8521 176.7089 38 K 3.9539 9.4595 122.1210 58.5158 32.5964 176.2829 39 D 4.4844 7.2376 115.4401 51.8491 41.8384 175.3964 40 A 4.0383 8.6329 119.5260 55.9743 18.3674 179.9925 41 T 4.0155 8.0779 113.8457 66.9710 68.5732 176.0683 42 D 4.5740 8.8803 120.0461 57.4596 41.1414 178.2130 43 R 3.9861 8.3952 119.3430 59.6560 30.0849 177.6401 44 C 4.2774 8.5124 116.2958 60.5799 40.8771 175.6786 45 C 4.5090 8.4787 117.8253 59.8617 40.9895 175.9054 46 F 3.7240 8.7313 122.7989 61.2362 38.9523 177.3359 47 V 3.3173 8.1533 118.1771 66.1697 31.1793 177.4365 48 H 3.9210 8.1854 117.9753 59.1909 29.5808 177.0472 49 D 4.1648 7.9952 120.7251 57.4241 40.4797 178.0625 50 C 4.0761 7.8049 117.1050 59.8575 39.8702 175.3708 51 C 4.1276 8.1229 119.4970 59.9929 43.8003 174.9533 52 Y 4.4067 8.0682 118.6402 61.0831 37.1738 178.8382 53 G 3.6930 8.3318 106.1817 47.5793 0.0000 175.2159 54 R 4.1678 7.5464 117.9136 56.2516 30.6502 176.9078 55 V 3.8355 7.1942 119.8243 62.3093 31.8896 175.2562 56 R 4.5094 8.3103 125.1346 54.4457 32.8417 176.7734 *58 G 3.9844 8.4516 109.1327 45.0246 0.0000 173.2483 59 C 4.7834 7.4877 115.7289 54.8518 42.5044 172.5705 *61 N 4.8049 8.2802 118.0988 53.3421 38.8705 172.9948 *68 P 4.0311 0.0000 0.0000 62.2109 33.0873 179.0532 69 K 4.0572 7.8333 118.7909 58.4080 32.3697 177.8530 70 L 4.4211 7.6820 115.9714 54.6923 43.1007 176.4166 71 A 4.0571 8.1620 123.1066 51.8471 18.6461 176.7183 72 I 4.2081 8.2843 124.6902 59.9987 38.1279 174.8690 73 Y 4.9432 7.5242 125.7533 55.3849 40.5333 173.7255 74 Y 5.1376 9.3591 120.2063 56.6526 42.0731 174.8365 75 Y 4.9717 6.9862 122.3728 56.2775 41.5686 172.9562 76 S 4.1382 8.7823 113.5923 57.4334 67.1350 172.6586 77 F 5.0874 8.6702 118.6909 55.7445 40.6968 175.9615 78 K 4.4712 9.1074 123.3306 55.0820 34.0856 176.4666 79 K 3.9092 9.9202 124.8675 57.8240 31.2535 176.3289 80 G 4.0307 8.6663 106.0622 46.5445 0.0000 173.4348 81 N 5.0975 8.3097 117.7584 51.4466 41.2892 174.3614 82 I 3.6955 8.0923 123.0222 61.0184 38.2089 175.5836 83 V 4.2955 9.0783 126.9876 61.2028 34.2805 173.7911 84 C 4.7977 8.8995 125.8212 56.8803 41.0349 173.1538 85 G 4.1747 8.8113 108.5627 45.8206 0.0000 172.9369 86 K 3.8394 8.6680 117.0277 57.2354 29.8273 175.0086 *88 N 4.7993 7.8059 114.3503 53.3616 39.6821 173.4893 89 N 5.0641 8.5269 119.0016 52.3368 42.6589 176.1885 90 G 3.8983 8.2993 110.2714 46.4319 0.0000 175.5275 91 C 4.3136 8.8571 118.9333 58.2258 36.9677 175.2205 92 L 3.9433 7.7579 121.7107 57.4540 41.1434 179.3760 93 R 3.7987 7.8528 118.1494 59.5276 30.0401 178.2876 94 D 4.2587 7.9651 118.0024 57.4054 40.9293 178.5495 95 I 3.6491 7.8838 120.4640 64.6281 37.1741 177.4533 96 C 2.8201 7.6409 118.9294 59.3686 44.3388 175.3292 97 E 3.7426 7.9212 120.6758 59.1669 29.1648 177.9508 98 C 4.0916 8.2012 116.7229 60.1488 38.8292 175.8100 99 D 3.7319 7.8097 120.0352 57.1634 40.4256 178.6469 100 R 3.7011 8.1206 119.3839 59.6231 29.9197 178.6123 101 V 3.4497 7.7067 117.4418 65.8387 31.4000 177.8472 102 A 3.5232 7.8276 120.2682 54.8516 18.1706 179.4431 103 A 3.4711 8.1001 119.6490 55.2145 18.3836 179.6120 104 N 4.2352 8.0481 114.9630 56.5761 38.5920 176.8130 105 C 4.2541 8.1975 120.0585 59.5801 43.4478 175.6060 106 F 4.4436 7.6371 118.8011 60.9176 38.6361 176.7740 107 H 4.3324 8.2985 117.7718 59.4869 29.4702 177.2288 108 Q 4.0537 8.3584 118.9675 58.4160 28.8115 177.7859 109 N 4.9310 7.8881 115.3877 53.0263 39.0161 176.6544 110 K 3.9895 7.8292 125.0794 59.8711 31.9529 178.4179 111 N 4.3600 8.3149 115.4097 55.9560 38.5928 175.5279 112 T 4.5110 7.6796 105.7145 61.0945 69.1406 173.9454 113 Y 3.9434 7.9650 124.0339 58.2141 39.2582 174.9599 114 N 4.8473 8.9821 125.6779 51.4712 40.0866 174.7965 115 A 4.5024 8.7097 129.9176 55.1236 18.6679 178.5451 116 N 4.4519 7.9767 111.5489 55.3864 38.8082 175.1240 117 Y 4.5432 7.9188 116.0457 57.6144 38.3802 175.7037 118 K 4.2467 7.6671 120.3849 57.1926 32.8097 176.6355 119 F 4.3143 7.8621 118.7641 57.4893 36.9563 176.2054 120 L 4.2004 7.8623 118.6068 54.8055 42.4851 177.5755 121 S 4.6986 8.2837 116.0477 56.8801 64.8938 175.0871 122 S 3.9281 8.5790 115.6375 61.2701 62.1734 176.0083 *124 S 4.4330 7.8782 112.5480 57.8659 64.4179 174.5156 125 R 4.2580 8.1131 118.8366 57.2269 30.7234 175.9370 126 C 4.9852 7.6906 115.0496 54.9887 35.2456 174.0593 127 R 4.1391 7.5375 120.8593 55.6799 30.9325 176.6078 128 Q 4.2725 8.5682 122.3265 56.6525 29.4419 175.5507 129 T 4.7100 8.1805 114.2601 60.1351 71.9602 173.5507 130 G 3.9082 8.5296 108.9540 45.5752 0.0000 173.1953 131 E 3.8030 8.1678 119.3185 56.7523 29.4494 176.6432 132 K 4.8157 8.2936 122.6463 54.4092 35.1833 177.1532 133 C 4.5075 8.7368 117.3963 57.4658 41.1625 173.8228 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 N 8.18 5.17 0.00 3.24 3.03 0.00 0.00 6.13 5.79 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 2 L 8.22 4.12 0.00 1.90 1.98 1.14 1.21 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 3 F 9.29 4.09 0.00 3.12 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 4 Q 8.98 4.14 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 5 F 8.52 4.42 0.00 3.26 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 6 A 8.19 3.67 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 7 K 7.65 3.88 0.00 1.95 2.00 0.00 1.63 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.17 1.44 7.81 8 M 8.13 4.24 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.04 0.00 9 I 7.65 3.59 1.72 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.38 0.73 0.00 0.00 10 N 8.40 4.45 0.00 2.67 2.67 0.00 0.00 6.99 7.28 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 11 G 8.33 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 0.00 0.00 0.00 12 K 8.12 4.20 0.00 1.95 1.87 0.00 1.73 0.00 0.00 1.95 0.00 0.00 3.10 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.63 1.63 7.81 13 L 8.12 4.57 0.00 1.69 1.73 1.04 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.40 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 *16 A 8.16 3.96 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 17 F 8.07 3.93 0.00 3.36 3.37 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 18 S 7.90 4.12 0.00 4.04 3.94 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 19 V 8.17 3.51 1.61 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 -0.58 0.00 0.00 0.57 0.00 0.00 20 W 7.09 4.73 0.00 3.34 3.27 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 21 N 8.23 4.45 0.00 2.15 1.94 0.00 0.00 6.83 6.99 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 22 Y 7.46 4.49 0.00 2.75 2.72 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 23 I 7.82 4.00 2.02 0.00 0.00 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 1.72 1.55 1.07 0.00 0.00 24 S 7.56 4.63 0.00 3.88 3.56 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 25 Y 8.87 4.78 0.00 2.74 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 26 G 7.70 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 27 C 8.88 4.38 0.00 2.93 2.95 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 28 Y 8.58 4.56 0.00 3.21 3.13 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 29 C 8.56 4.52 0.00 3.47 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 30 G 8.60 4.44 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 0.00 0.00 0.00 31 W 8.03 4.82 0.00 3.54 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 32 G 7.33 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 33 G 9.69 4.13 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 0.00 34 Q 7.21 4.42 0.00 1.93 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.45 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 35 G 8.89 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 0.00 0.00 0.00 0.00 36 T 7.92 4.26 4.19 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 1.16 0.00 0.00 37 P 0.00 4.61 0.00 1.96 1.99 0.00 3.42 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 38 K 9.46 3.95 0.00 0.94 0.74 0.00 1.42 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.18 0.58 7.81 39 D 7.24 4.48 0.00 2.87 2.84 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 40 A 8.63 4.04 1.45 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 41 T 8.08 4.02 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 1.09 0.00 0.00 42 D 8.88 4.57 0.00 3.06 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 43 R 8.40 3.99 0.00 2.06 2.18 0.00 3.29 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 44 C 8.51 4.28 0.00 3.61 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 45 C 8.48 4.51 0.00 3.45 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 46 F 8.73 3.72 0.00 2.65 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 47 V 8.15 3.32 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 0.81 0.00 0.00 1.06 0.00 0.00 48 H 8.19 3.92 0.00 3.19 3.38 0.00 5.64 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 49 D 8.00 4.16 0.00 2.65 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 50 C 7.80 4.08 0.00 2.80 2.90 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 51 C 8.12 4.13 0.00 2.87 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 52 Y 8.07 4.41 0.00 3.02 2.84 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 53 G 8.33 3.69 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 0.00 0.00 0.00 54 R 7.55 4.17 0.00 1.84 1.96 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 55 V 7.19 3.84 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 0.69 0.00 0.00 0.97 0.00 0.00 56 R 8.31 4.51 0.00 1.81 1.75 0.00 3.36 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.50 0.00 *58 G 8.45 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 0.00 0.00 0.00 0.00 59 C 7.49 4.78 0.00 2.90 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 *61 N 8.28 4.80 0.00 2.75 2.73 0.00 0.00 7.66 7.71 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 *68 P 0.00 4.03 0.00 1.03 0.67 0.00 3.55 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 69 K 7.83 4.06 0.00 1.84 1.82 0.00 1.81 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.58 1.58 7.81 70 L 7.68 4.42 0.00 1.64 1.67 0.92 0.80 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 71 A 8.16 4.06 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 72 I 8.28 4.21 1.84 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 1.38 0.74 0.86 0.00 0.00 73 Y 7.52 4.94 0.00 3.28 3.12 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 74 Y 9.36 5.14 0.00 3.11 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 75 Y 6.99 4.97 0.00 2.91 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 76 S 8.78 4.14 0.00 3.81 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 77 F 8.67 5.09 0.00 2.94 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 78 K 9.11 4.47 0.00 1.75 1.72 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.34 7.81 79 K 9.92 3.91 0.00 2.00 1.97 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.45 7.81 80 G 8.67 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 81 N 8.31 5.10 0.00 2.62 2.71 0.00 0.00 6.94 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 82 I 8.09 3.70 1.66 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.18 0.64 0.00 0.00 83 V 9.08 4.30 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 1.05 0.00 0.00 0.90 0.00 0.00 84 C 8.90 4.80 0.00 2.82 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 G 8.81 4.17 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 0.00 86 K 8.67 3.84 0.00 2.03 1.86 0.00 1.05 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.49 7.81 *88 N 7.81 4.80 0.00 2.76 2.83 0.00 0.00 7.13 8.00 0.00 0.00 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 N 8.53 5.06 0.00 2.73 2.69 0.00 0.00 7.14 7.77 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 90 G 8.30 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 91 C 8.86 4.31 0.00 3.13 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 92 L 7.76 3.94 0.00 1.90 1.88 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.85 3.80 0.00 2.04 2.06 0.00 3.08 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 1.58 1.64 0.00 94 D 7.97 4.26 0.00 2.83 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 95 I 7.88 3.65 1.92 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 1.23 0.91 0.95 0.00 0.00 96 C 7.64 2.82 0.00 2.24 2.83 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 97 E 7.92 3.74 0.00 2.09 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 0.00 2.23 2.29 0.00 98 C 8.20 4.09 0.00 3.20 2.84 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 99 D 7.81 3.73 0.00 2.63 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 0.00 100 R 8.12 3.70 0.00 1.67 1.92 0.00 3.11 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 101 V 7.71 3.45 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 0.94 0.00 0.00 0.85 0.00 0.00 102 A 7.83 3.52 1.06 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 0.00 103 A 8.10 3.47 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 0.00 104 N 8.05 4.24 0.00 2.80 2.83 0.00 0.00 6.68 7.25 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 0.00 105 C 8.20 4.25 0.00 2.99 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 0.00 106 F 7.64 4.44 0.00 2.89 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 0.00 107 H 8.30 4.33 0.00 3.22 3.50 0.00 5.59 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 0.00 108 Q 8.36 4.05 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.00 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 109 N 7.89 4.93 0.00 2.99 2.90 0.00 0.00 6.63 7.11 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 0.00 110 K 7.83 3.99 0.00 1.99 1.82 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.50 7.81 111 N 8.31 4.36 0.00 2.76 2.92 0.00 0.00 6.79 7.54 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 0.00 112 T 7.68 4.51 4.33 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 1.27 0.00 0.00 113 Y 7.96 3.94 0.00 2.90 2.90 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 0.00 114 N 8.98 4.85 0.00 2.80 2.72 0.00 0.00 6.72 7.89 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 0.00 115 A 8.71 4.50 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 0.00 116 N 7.98 4.45 0.00 2.36 2.60 0.00 0.00 6.88 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 0.00 117 Y 7.92 4.54 0.00 2.12 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 0.00 0.00 0.00 118 K 7.67 4.25 0.00 1.83 1.16 0.00 2.08 0.00 0.00 1.78 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.56 7.81 119 F 7.86 4.31 0.00 3.20 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 0.00 120 L 7.86 4.20 0.00 1.63 1.61 0.85 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 0.00 121 S 8.28 4.70 0.00 4.03 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 0.00 122 S 8.58 3.93 0.00 3.91 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 *124 S 7.88 4.43 0.00 4.05 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 0.00 125 R 8.11 4.26 0.00 1.87 2.02 0.00 3.28 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 126 C 7.69 4.99 0.00 2.85 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 0.00 127 R 7.54 4.14 0.00 1.86 1.85 0.00 3.13 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 1.72 1.62 0.00 128 Q 8.57 4.27 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 129 T 8.18 4.71 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 1.24 0.00 0.00 130 G 8.53 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 0.00 131 E 8.17 3.80 0.00 1.91 1.64 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 2.19 2.18 0.00 132 K 8.29 4.82 0.00 1.75 1.74 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.38 7.81 133 C 8.74 4.51 0.00 2.92 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 * Residues marked with a * may have inaccurate shift predictions.