NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3225 8.1693 122.4558 54.3579 44.1333 176.6216 5 F 4.8510 6.7586 111.7187 54.1753 40.7984 172.7541 6 K 4.3175 8.8598 122.7196 55.8895 33.8447 177.5220 7 L 4.7836 8.3075 123.3941 53.4654 45.2439 175.6620 8 G 4.0554 9.4582 113.8242 44.8035 0.0000 172.7061 9 A 3.9284 8.6781 121.0422 55.0663 18.4156 179.8031 10 E 4.1031 8.1537 112.5023 58.3973 29.9050 176.8658 11 N 5.0905 8.1361 117.2144 52.4674 38.9036 173.4200 12 I 4.8121 7.0390 120.1526 60.2428 39.7669 175.2814 13 F 4.8289 9.6082 125.9913 55.9143 41.6003 174.4415 14 L 4.6492 8.7442 123.5549 53.0458 43.8863 176.3043 15 G 3.8663 8.8312 106.9910 46.7353 0.0000 174.4511 16 R 4.1345 7.5285 118.0501 54.9465 31.1848 176.0214 17 K 4.8781 8.0446 116.8932 55.0980 35.9534 176.2166 18 A 4.5722 8.3594 123.7642 51.0852 22.0055 176.4678 19 A 4.1749 8.7727 125.9884 54.1586 19.2333 178.0305 20 T 4.6351 8.0489 105.6720 58.9321 73.2431 175.1754 21 K 3.5348 8.0395 121.4340 59.8777 32.3451 179.1185 22 E 3.9016 7.8577 119.3271 59.2705 29.4030 178.9352 23 E 3.9578 8.0572 117.9753 59.3186 29.5142 179.2873 24 A 4.1108 7.8122 120.3489 55.2723 18.4013 179.7661 25 I 3.7854 8.3265 118.8123 64.5877 37.1057 178.6480 26 R 3.9541 8.3053 119.7178 59.2232 29.8742 178.4342 27 F 4.2303 8.4049 120.3041 61.2100 39.4403 176.8222 28 A 3.9457 8.3722 120.5988 55.2122 18.2034 179.7357 29 G 3.6695 8.4764 104.4643 48.1743 0.0000 175.6679 30 E 3.9758 8.3697 121.3892 59.2501 29.4467 179.5682 31 Q 3.8564 7.7906 118.0231 58.6411 28.7082 178.5804 32 L 4.2563 8.1141 120.3418 57.6944 41.6072 179.7749 33 V 3.9616 7.8775 119.5745 65.4357 31.3247 177.8734 34 K 4.0079 8.2057 118.6016 59.3342 32.0428 177.9346 35 G 3.8946 8.0913 102.9672 44.1077 0.0000 173.9920 36 G 3.7860 7.6900 107.7829 46.3048 0.0000 174.8553 37 Y 4.3486 7.7837 120.2906 60.1605 38.9636 176.0731 38 V 4.8690 7.5307 109.9839 59.5728 36.7826 175.0187 39 E 4.3895 9.1834 122.3324 55.0563 30.9222 176.0136 40 P 4.2851 0.0000 0.0000 66.2668 31.1065 178.7579 41 E 4.0883 8.2815 116.3699 59.2241 29.3398 178.4888 42 Y 3.9462 8.2467 119.9007 60.1585 38.7682 178.0179 43 V 3.5793 7.7124 119.2173 66.1414 31.6059 177.8661 44 Q 3.9385 8.0408 118.5015 58.9896 28.9016 177.6963 45 A 3.7598 7.6128 121.8982 55.2656 18.2769 179.5633 46 M 4.4702 7.5171 118.6858 57.9626 31.9869 178.9776 47 L 4.4433 7.5356 120.1129 57.2023 41.5544 179.0982 48 D 4.3191 8.4626 118.7856 57.4917 40.9022 178.5943 49 R 4.0024 8.1117 119.3966 59.2524 29.8100 178.2931 50 E 4.0002 8.1873 117.5571 59.4479 29.2338 179.3483 51 K 3.8522 7.6939 118.1270 59.1182 32.1341 178.9004 52 L 4.1083 7.4932 118.4185 56.8591 41.9993 177.9659 53 T 4.2220 6.7933 109.5381 61.9793 73.0210 171.5296 54 P 4.4182 0.0000 0.0000 63.5880 32.1015 176.0230 55 T 4.4261 8.5185 113.9367 61.8521 67.5369 173.6947 56 Y 4.6211 8.0595 121.1672 58.2771 39.2174 175.4468 57 L 4.3491 8.1556 125.4737 54.0088 42.7503 177.4893 58 G 3.6651 5.7435 104.9571 45.4525 0.0000 172.8852 59 E 4.0117 9.1608 114.3080 57.4788 27.0533 175.3090 60 S 4.8790 8.4659 107.7779 58.7398 61.8849 169.8629 61 I 5.0151 7.2671 117.9564 58.8669 40.1596 174.5042 62 A 4.8918 8.8941 127.3312 49.9396 22.2822 175.7149 63 V 5.3240 8.2191 113.1413 57.5553 31.3236 173.6890 64 P 4.5879 0.0000 0.0000 63.1287 33.2571 176.6320 65 Q 5.1263 8.4116 118.9664 55.1922 32.4622 173.8272 66 G 3.6753 8.6907 109.2782 44.3565 0.0000 173.3105 67 T 4.2507 7.8054 109.8427 60.3147 69.8974 176.0996 68 V 4.1665 8.2002 120.3202 64.0773 31.4356 178.1255 69 E 3.8852 7.6946 120.3231 58.6009 29.6807 176.9410 70 A 4.6013 8.2077 120.8247 51.6616 19.0311 178.6439 71 K 3.9412 7.9900 119.8142 60.9713 32.3780 178.3685 72 D 4.6677 8.1045 115.7812 55.1669 41.1467 176.6562 73 R 4.5501 8.3746 118.7056 55.9231 30.5778 175.6830 74 V 4.2226 7.3990 119.3317 61.7050 32.2655 175.4836 75 L 4.3926 8.8831 128.0057 56.5480 42.4195 177.0600 76 K 4.6413 7.4551 113.9069 55.6268 35.1068 175.9792 77 T 4.1789 8.6854 119.6812 64.3402 68.9635 173.6346 78 G 3.5790 9.0214 111.7687 45.4824 0.0000 172.3558 79 V 4.9051 7.6869 112.4373 59.3783 36.1273 175.6891 80 V 4.5866 8.8150 116.4904 59.6531 35.1280 174.6329 81 F 4.7434 9.4359 129.7502 57.5653 40.5124 174.0503 82 C 5.3560 8.4540 124.5716 58.0157 31.1365 172.7831 83 Q 4.6655 9.0929 126.0940 54.9238 30.6352 173.9418 84 Y 4.8674 9.1263 124.7369 54.0563 38.4926 174.2875 85 P 4.2343 0.0000 0.0000 65.4030 31.8293 177.7847 86 E 4.1216 8.1881 115.2915 56.8992 29.9185 177.7844 87 G 4.1602 8.7381 103.8864 45.8140 0.0000 173.2567 88 V 4.2229 8.4246 119.0505 60.3247 34.0942 174.9525 89 R 4.2562 8.6518 127.9006 56.7711 30.2985 175.7234 90 F 4.1904 8.8380 122.9616 57.9213 41.7284 175.6320 91 G 3.9810 7.2011 107.8103 44.3445 0.0000 172.5546 92 E 4.0105 8.9185 117.8928 59.3474 29.6514 177.7664 93 E 4.4752 8.5570 117.9179 54.8074 30.9399 177.3172 94 E 3.9949 8.4513 119.2437 59.2160 29.6415 178.3176 95 D 4.4342 7.9189 117.0147 56.5662 41.7895 176.3042 96 D 4.4789 7.6952 120.5439 53.2914 39.5375 173.9734 97 I 4.7261 7.6369 121.7535 59.2641 40.1582 173.9866 98 A 5.2465 9.0525 128.7562 50.6432 20.8724 177.2566 99 R 4.6142 9.1318 120.4100 56.1369 32.6980 175.7696 100 L 4.7148 7.9032 119.2708 52.8315 44.5681 175.7184 101 V 4.3001 8.7563 125.8030 61.2817 33.5796 174.6385 102 I 4.7155 8.7350 131.1893 59.2449 38.8185 175.3408 103 G 4.1694 8.8391 116.4663 45.8574 0.0000 171.2458 104 I 5.1813 8.7327 118.5581 58.9558 41.0833 174.9376 105 A 4.6440 8.8982 124.8360 50.2189 21.8568 174.7965 106 A 4.8435 8.3456 123.7624 49.7523 21.9098 175.8840 107 R 3.8494 8.6453 122.9166 57.7244 30.6913 175.9818 108 N 4.0484 9.1839 118.1077 54.4168 36.1969 173.7717 109 N 4.3938 8.1620 111.4817 54.5475 36.5311 174.4068 110 E 4.7063 7.8900 114.1337 57.1251 30.6635 178.0195 111 H 4.0998 8.3842 119.0059 59.3451 28.7874 177.1278 112 I 3.7934 7.8293 120.8044 64.2364 36.9003 178.3821 113 Q 4.0398 8.1191 119.3607 58.8209 28.5351 178.7962 114 V 3.6607 7.7011 118.8431 65.9756 31.6645 177.9227 115 I 3.6737 8.0993 119.9780 64.7592 36.9638 178.5263 116 T 3.9708 8.2783 118.2425 66.0524 68.0387 176.6723 117 S 4.1546 7.9432 113.9347 61.3311 62.6977 175.8976 118 L 4.2069 8.0692 121.8837 58.1851 41.0428 179.7721 119 T 3.9708 8.3736 109.8783 64.6419 68.4034 176.3141 120 N 4.3402 8.0758 118.8076 56.0850 38.6646 176.6603 121 A 4.2944 7.8262 120.0491 53.4135 18.0320 178.3697 122 L 4.6945 7.3910 117.4825 54.4946 42.6724 177.9845 123 D 4.3863 8.2227 119.5456 54.9062 40.1758 175.5186 124 D 4.9869 7.4257 121.9165 52.0546 43.2085 176.8862 125 E 4.0165 8.9499 122.8335 59.7974 29.3123 179.6549 126 S 4.1674 8.0291 114.5484 61.0912 63.0671 176.5632 127 V 3.5796 7.7801 121.7754 65.8007 31.2061 178.0935 128 I 3.7431 7.7159 119.0423 64.4118 37.2011 177.9059 129 E 4.0312 8.0815 119.1048 59.6710 29.4749 179.7464 130 R 4.0582 7.9973 117.8048 59.3898 29.9359 179.2078 131 L 4.0729 8.0318 117.4176 57.7404 41.6838 179.1748 132 A 4.2094 8.3634 120.2459 54.4917 18.3757 177.6617 133 H 4.8210 7.5695 109.6166 55.3287 30.6013 173.9825 134 T 4.0377 7.8393 114.7583 62.4608 67.5873 173.8307 135 T 4.3901 8.4269 116.0827 61.4239 69.5394 174.2547 136 S 4.6025 7.8431 118.0420 56.8459 63.7422 174.5985 137 V 3.5251 8.2463 129.1790 66.1981 31.3780 177.3523 138 D 4.3042 8.0705 118.1710 57.4089 40.5823 178.3375 139 E 3.8663 7.9967 119.3037 59.0789 29.7613 178.8686 140 V 3.3660 7.4630 117.7603 66.0222 31.3192 177.8295 141 L 3.9052 7.6566 117.1023 57.8630 41.6472 179.0476 142 E 4.0891 8.3659 118.5935 59.6685 29.2793 179.6630 143 L 4.0908 7.9835 117.0625 56.5914 41.3606 178.4788 144 L 4.6274 7.5477 116.6474 54.4844 41.9088 177.9547 145 A 4.1883 7.7546 122.8440 54.4923 18.4600 179.1954 146 G 3.5263 8.0408 106.6656 47.8117 0.0000 174.5413 *147 R 4.1513 7.4492 122.5294 56.4258 30.1335 180.7504 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 4 L 8.17 4.32 0.00 1.63 1.90 0.95 0.40 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 5 F 6.76 4.85 0.00 3.18 2.96 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 6 K 8.86 4.32 0.00 1.90 1.84 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 7 L 8.31 4.78 0.00 1.75 1.55 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 8 G 9.46 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 9 A 8.68 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 10 E 8.15 4.10 0.00 2.14 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 0.00 2.31 2.38 0.00 11 N 8.14 5.09 0.00 2.98 3.12 0.00 0.00 6.78 7.33 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 12 I 7.04 4.81 1.69 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 1.04 0.65 0.88 0.00 0.00 13 F 9.61 4.83 0.00 3.10 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 14 L 8.74 4.65 0.00 1.54 1.72 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.83 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 16 R 7.53 4.13 0.00 0.67 1.29 0.00 2.77 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.19 0.00 17 K 8.04 4.88 0.00 1.68 1.68 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.42 7.81 18 A 8.36 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.77 4.17 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 20 T 8.05 4.64 4.31 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 1.14 0.00 0.00 21 K 8.04 3.53 0.00 0.79 0.97 0.00 0.88 0.00 0.00 1.39 0.00 0.00 2.78 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.08 1.25 7.81 22 E 7.86 3.90 0.00 1.99 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 2.33 2.68 0.00 23 E 8.06 3.96 0.00 2.17 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 2.30 0.00 24 A 7.81 4.11 1.20 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 25 I 8.33 3.79 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.14 0.95 0.00 0.00 26 R 8.31 3.95 0.00 2.00 2.12 0.00 3.11 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.66 0.00 27 F 8.40 4.23 0.00 3.23 3.31 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 28 A 8.37 3.95 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 29 G 8.48 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 30 E 8.37 3.98 0.00 2.00 1.88 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 2.31 2.49 0.00 31 Q 7.79 3.86 0.00 1.86 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.64 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 32 L 8.11 4.26 0.00 1.91 1.75 0.99 0.45 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 33 V 7.88 3.96 2.27 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 1.26 0.00 0.00 1.07 0.00 0.00 34 K 8.21 4.01 0.00 1.83 2.00 0.00 1.86 0.00 0.00 1.92 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.48 7.81 35 G 8.09 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 36 G 7.69 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 0.00 0.00 0.00 37 Y 7.78 4.35 0.00 3.10 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 38 V 7.53 4.87 1.90 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 0.22 0.00 0.00 1.01 0.00 0.00 39 E 9.18 4.39 0.00 2.02 1.89 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 2.31 2.29 0.00 40 P 0.00 4.29 0.00 2.17 2.14 0.00 3.63 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 2.13 2.21 0.00 41 E 8.28 4.09 0.00 2.11 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 0.00 2.42 2.45 0.00 42 Y 8.25 3.95 0.00 3.18 3.07 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 43 V 7.71 3.58 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 1.04 0.00 0.00 1.06 0.00 0.00 44 Q 8.04 3.94 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.64 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 45 A 7.61 3.76 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 46 M 7.52 4.47 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.17 0.00 47 L 7.54 4.44 0.00 1.80 1.67 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.46 4.32 0.00 2.70 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 49 R 8.11 4.00 0.00 1.83 2.16 0.00 3.12 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 50 E 8.19 4.00 0.00 2.29 2.38 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 2.45 2.31 0.00 51 K 7.69 3.85 0.00 1.90 1.89 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.64 7.81 52 L 7.49 4.11 0.00 1.75 1.73 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 53 T 6.79 4.22 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 54 P 0.00 4.42 0.00 2.17 2.35 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 55 T 8.52 4.43 4.31 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 1.30 0.00 0.00 56 Y 8.06 4.62 0.00 2.98 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 57 L 8.16 4.35 0.00 1.36 1.47 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 58 G 5.74 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 59 E 9.16 4.01 0.00 2.02 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 2.22 2.24 0.00 60 S 8.47 4.88 0.00 4.12 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 61 I 7.27 5.02 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.72 0.81 0.00 0.00 62 A 8.89 4.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.22 5.32 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 0.51 0.00 0.00 0.94 0.00 0.00 64 P 0.00 4.59 0.00 2.16 2.28 0.00 3.67 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 65 Q 8.41 5.13 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.93 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 66 G 8.69 3.68 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 0.00 0.00 0.00 67 T 7.81 4.25 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 1.22 0.00 0.00 68 V 8.20 4.17 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 1.10 0.00 0.00 0.96 0.00 0.00 69 E 7.69 3.89 0.00 1.99 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 0.00 2.33 2.27 0.00 70 A 8.21 4.60 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 71 K 7.99 3.94 0.00 1.97 2.42 0.00 1.34 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.47 7.81 72 D 8.10 4.67 0.00 2.72 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 73 R 8.37 4.55 0.00 2.15 2.05 0.00 3.51 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 74 V 7.40 4.22 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 0.75 0.00 0.00 0.80 0.00 0.00 75 L 8.88 4.39 0.00 1.87 1.67 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.46 4.64 0.00 1.79 1.75 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.70 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.79 7.81 77 T 8.69 4.18 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 1.36 0.00 0.00 78 G 9.02 3.58 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 0.00 79 V 7.69 4.91 1.85 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 0.24 0.00 0.00 0.70 0.00 0.00 80 V 8.82 4.59 2.30 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 0.83 0.00 0.00 1.07 0.00 0.00 81 F 9.44 4.74 0.00 3.13 2.98 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 82 C 8.45 5.36 0.00 3.26 2.93 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 83 Q 9.09 4.67 0.00 2.23 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.50 0.00 84 Y 9.13 4.87 0.00 2.95 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 85 P 0.00 4.23 0.00 2.08 2.17 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.28 0.00 86 E 8.19 4.12 0.00 2.02 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 0.00 2.35 2.35 0.00 87 G 8.74 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 0.00 0.00 0.00 88 V 8.42 4.22 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 0.98 0.00 0.00 0.56 0.00 0.00 89 R 8.65 4.26 0.00 1.71 1.71 0.00 3.13 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 90 F 8.84 4.19 0.00 2.93 3.07 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 91 G 7.20 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 92 E 8.92 4.01 0.00 1.99 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 0.00 2.33 2.38 0.00 93 E 8.56 4.48 0.00 2.11 1.84 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 2.27 2.27 0.00 94 E 8.45 3.99 0.00 1.92 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 2.27 2.21 0.00 95 D 7.92 4.43 0.00 2.61 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 96 D 7.70 4.48 0.00 2.53 1.77 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 97 I 7.64 4.73 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.87 0.96 0.00 0.00 98 A 9.05 5.25 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 99 R 9.13 4.61 0.00 1.80 1.97 0.00 3.08 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 100 L 7.90 4.71 0.00 1.51 1.40 1.07 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.76 4.30 2.25 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 0.92 0.00 0.00 0.65 0.00 0.00 102 I 8.73 4.72 1.78 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.32 0.91 0.00 0.00 103 G 8.84 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 0.00 104 I 8.73 5.18 1.82 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 1.41 0.94 0.88 0.00 0.00 105 A 8.90 4.64 0.94 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 0.00 0.00 106 A 8.35 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.65 3.85 0.00 1.88 1.82 0.00 3.26 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 108 N 9.18 4.05 0.00 2.91 2.89 0.00 0.00 7.09 8.01 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 0.00 109 N 8.16 4.39 0.00 2.93 2.94 0.00 0.00 7.05 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 0.00 110 E 7.89 4.71 0.00 2.05 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 2.49 2.49 0.00 111 H 8.38 4.10 0.00 3.21 3.40 0.00 5.62 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 0.00 112 I 7.83 3.79 1.89 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 1.68 0.91 0.92 0.00 0.00 113 Q 8.12 4.04 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 114 V 7.70 3.66 2.19 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 0.93 0.00 0.00 0.94 0.00 0.00 115 I 8.10 3.67 2.01 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 1.50 0.60 0.89 0.00 0.00 116 T 8.28 3.97 4.42 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 1.23 0.00 0.00 117 S 7.94 4.15 0.00 4.03 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 0.00 118 L 8.07 4.21 0.00 1.84 1.69 0.75 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.37 3.97 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 0.00 120 N 8.08 4.34 0.00 2.98 2.94 0.00 0.00 7.01 7.12 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 0.00 121 A 7.83 4.29 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 0.00 122 L 7.39 4.69 0.00 1.67 1.67 0.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.22 4.39 0.00 2.79 2.80 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 0.00 124 D 7.43 4.99 0.00 2.90 2.60 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 0.00 0.00 0.00 125 E 8.95 4.02 0.00 2.20 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 0.00 2.38 2.39 0.00 126 S 8.03 4.17 0.00 4.08 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 0.00 127 V 7.78 3.58 2.26 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 1.14 0.00 0.00 0.94 0.00 0.00 128 I 7.72 3.74 2.05 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 1.67 0.57 1.02 0.00 0.00 129 E 8.08 4.03 0.00 2.18 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 2.50 2.54 0.00 130 R 8.00 4.06 0.00 2.00 1.99 0.00 3.32 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.83 0.00 131 L 8.03 4.07 0.00 1.87 1.99 1.00 0.60 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 0.00 132 A 8.36 4.21 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 0.00 133 H 7.57 4.82 0.00 3.26 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 T 7.84 4.04 4.45 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 1.29 0.00 0.00 135 T 8.43 4.39 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 0.00 136 S 7.84 4.60 0.00 3.90 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 0.00 137 V 8.25 3.53 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 0.97 0.00 0.00 0.88 0.00 0.00 138 D 8.07 4.30 0.00 2.70 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 0.00 139 E 8.00 3.87 0.00 2.00 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 2.27 2.29 0.00 140 V 7.46 3.37 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 0.26 0.00 0.00 0.83 0.00 0.00 141 L 7.66 3.91 0.00 1.76 1.68 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.37 4.09 0.00 2.12 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 0.00 2.31 2.47 0.00 143 L 7.98 4.09 0.00 1.66 1.71 0.92 1.01 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 0.00 144 L 7.55 4.63 0.00 1.66 1.70 0.72 0.58 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 0.00 145 A 7.75 4.19 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 0.00 146 G 8.04 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.45 4.15 0.00 1.76 1.93 0.00 3.35 0.00 0.00 3.64 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.41 0.00 * Residues marked with a * may have inaccurate shift predictions.