NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0866 8.1633 120.7117 55.2436 34.1457 173.8631 2 R 4.9249 9.1586 118.9006 52.7817 34.3503 169.4356 3 V 5.0122 8.7631 122.7807 59.9210 35.6990 174.0815 4 V 4.9541 8.6867 123.4857 61.3979 33.7525 174.0710 5 I 5.0121 9.1710 129.1484 59.6663 39.8359 174.5461 6 Q 5.0296 8.8839 125.6772 53.8788 31.9279 174.8632 7 R 4.2939 8.5558 125.4018 56.3062 31.3528 175.6655 8 V 4.9922 8.8859 118.5242 59.7499 35.7865 176.5605 9 K 4.1026 9.2370 122.8026 58.5499 32.7899 177.1377 10 G 4.4645 7.7498 105.1908 45.5647 0.0000 172.1192 11 A 5.7913 8.5585 121.1287 50.8242 23.3484 175.4259 12 I 4.8384 8.4549 122.1433 59.4382 40.4883 174.0738 13 L 5.1284 9.2052 129.9668 53.5564 44.3607 175.3701 14 S 5.2846 9.0341 120.9315 57.1513 66.5849 174.5528 15 V 5.1147 8.0424 110.7406 60.0320 34.3945 175.4718 *27 L 4.1945 7.8979 121.2657 54.8652 42.7425 175.6395 28 E 4.5685 8.1974 129.1827 54.1025 31.3495 175.0575 29 I 4.2907 8.5190 128.3533 62.0467 37.3154 176.2210 30 I 4.4761 8.3109 117.8959 60.1978 39.1178 175.3542 31 S 4.5530 7.6386 113.0978 57.6796 65.4983 173.5184 32 E 5.3096 8.7399 127.0389 54.9850 32.7267 173.8072 33 I 4.9489 9.0526 120.8246 58.1833 41.6870 175.6442 34 K 5.1642 8.7063 130.4006 53.9811 30.5634 178.6561 35 N 4.6745 8.5375 116.0472 54.5638 39.3405 175.3748 36 G 4.7339 7.0198 106.6700 46.3042 0.0000 171.2414 37 L 5.2541 8.2606 120.4462 53.0032 45.3814 175.3170 38 I 4.6222 8.6558 122.5548 59.4212 40.5581 173.8872 39 C 5.0986 8.9107 127.6448 57.9609 30.7703 173.3635 40 F 4.8570 9.0944 124.7022 56.8434 39.6673 174.5873 41 L 5.0305 9.4296 127.8439 53.3621 44.0990 175.2200 42 G 4.6657 9.6117 114.7215 44.5277 0.0000 172.1052 43 I 4.9177 8.7213 121.2407 60.0309 39.3448 174.9523 44 H 3.8999 9.3561 127.6747 54.3042 30.8709 175.8565 45 K 3.7729 8.1608 125.7233 60.2088 32.1855 177.7057 46 N 4.7793 8.1959 114.7157 53.0662 38.7477 174.6495 47 D 4.6884 7.7748 119.0905 54.2628 41.5345 176.5573 48 T 4.6437 9.0944 114.1767 59.7887 71.1001 175.4812 49 W 4.6605 8.9342 132.8396 60.6356 30.6563 178.3817 50 E 3.9892 8.7266 119.0866 61.0321 29.1849 183.9081 51 D 4.5234 7.9204 119.2296 57.3911 40.9277 178.6248 52 A 3.8276 7.9995 120.4831 55.1936 18.1600 179.2812 53 L 3.4234 7.1285 117.1878 57.9534 41.6587 179.1837 54 Y 3.8851 7.7700 119.0925 60.7470 38.7469 177.9030 55 I 3.6182 7.5738 120.0663 64.6403 37.4095 178.0259 56 I 3.0328 7.6048 122.7618 65.1027 36.9049 178.9949 57 R 3.7731 7.7996 120.9258 61.3614 29.2026 180.4643 58 K 3.9157 7.5784 119.1470 59.6705 31.9101 179.0131 59 C 4.0929 7.7959 115.2946 63.2317 28.1880 176.1243 60 L 4.2436 7.6797 118.7407 56.5682 41.3925 177.4609 61 N 4.9226 7.8590 113.1014 52.5246 40.7793 174.9161 62 L 4.0479 8.4716 120.0127 55.4263 42.5565 177.3342 63 R 4.7243 8.4659 124.3117 55.0850 28.4588 176.2360 64 L 5.0732 8.0516 117.1046 54.4271 42.9804 176.7639 65 W 4.8842 8.3206 119.2049 54.8013 33.0501 174.9796 66 N 4.8279 8.6899 120.3186 53.2590 40.0778 173.9688 67 N 5.1844 9.2312 119.1935 52.9293 40.4426 176.2937 68 D 4.1996 8.2244 127.3661 54.3767 40.8923 176.9216 69 N 4.4099 9.1206 125.9789 55.8777 37.3335 174.8097 70 K 4.4599 8.0569 119.2557 54.9634 33.5167 175.8654 71 T 5.2432 8.0564 111.7858 59.1745 71.5613 174.4667 72 W 4.2408 7.7147 116.6894 56.7864 26.0815 173.1099 73 D 4.8061 7.9740 116.0556 54.7497 46.0198 175.5645 74 K 4.8411 8.8103 117.7399 54.5921 35.5164 175.7858 75 N 5.7591 8.7464 121.1097 50.1985 40.3071 176.0139 76 V 3.4683 8.5739 117.1589 64.5319 31.9999 178.7033 77 K 3.6836 7.9946 119.9518 59.1854 32.3339 178.6585 78 D 4.2182 8.9122 118.1874 57.5777 40.6455 177.7386 79 L 3.7335 7.0869 114.5173 54.1693 41.3929 176.2290 80 N 4.2812 7.4714 115.6668 54.3930 37.4751 173.1949 81 Y 5.0108 8.2080 114.4044 56.8260 40.6092 175.2135 82 E 4.9570 8.6554 118.9000 55.1950 32.5277 175.5239 83 L 5.1768 8.5836 120.8562 52.9082 45.6726 175.3426 84 L 4.9797 8.7425 124.5412 53.4338 44.7822 174.8933 85 I 4.7508 8.7072 128.1304 59.6533 39.4766 174.8684 86 V 4.6654 8.4148 126.9551 60.6670 34.2212 174.6163 87 S 4.6773 8.5724 123.3265 58.7056 62.8266 173.6162 88 Q 4.4841 9.9742 129.6844 54.8332 30.6738 174.8846 89 F 4.7811 9.0422 122.1295 58.6359 38.8418 177.8049 90 T 4.0331 7.0762 111.4759 63.6617 68.6931 175.8296 91 L 3.9173 7.3465 120.6469 56.7716 41.5577 177.4047 92 F 4.8530 8.1786 116.6538 56.8799 40.2146 175.6857 93 G 2.9710 8.0041 107.6094 46.0279 0.0000 173.4636 94 N 4.7404 8.9853 127.3584 53.0526 38.7032 175.4409 95 T 4.6097 8.3503 113.4389 61.1739 69.8178 175.7171 96 K 4.1156 9.6012 126.4075 59.6940 31.6746 178.4206 97 K 4.1840 6.9681 120.0872 55.2586 31.9935 182.6556 98 G 4.2797 7.2937 104.7647 44.0260 0.0000 172.0484 99 N 4.9020 8.6957 114.5083 52.9864 38.4564 174.8225 100 K 4.4583 7.2309 120.3847 53.7524 33.4706 174.4658 101 P 4.4738 0.0000 0.0000 62.1749 32.3425 175.1769 102 D 4.5656 7.5334 117.4349 54.0228 43.4024 175.5030 103 F 5.4028 8.9699 128.3149 57.4069 39.9343 177.6691 104 H 4.2437 7.8612 122.5068 59.3986 30.0266 175.8826 105 L 3.9430 7.8505 116.4133 55.1991 41.8760 176.3110 106 A 4.2620 7.3598 121.0201 51.0651 19.5410 177.2789 107 K 4.1422 8.2198 124.0408 56.2134 33.3926 177.2970 108 E 3.8998 9.2387 124.6476 58.2692 30.3125 175.1604 109 P 4.1499 0.0000 0.0000 64.1012 31.8399 177.5632 110 N 4.2569 8.4155 117.4874 57.3371 38.5189 177.8667 111 E 4.0120 8.0905 118.4020 60.9809 30.0468 180.4382 112 A 4.3564 8.3585 122.7555 55.2222 18.3460 179.2769 113 L 3.1182 8.2754 118.7699 58.2317 41.8571 179.4347 114 I 3.7077 7.3479 118.6985 64.3660 37.0635 177.8086 115 F 4.2277 8.2959 121.6268 61.8026 39.1109 176.4033 116 Y 4.2360 8.9673 118.9746 61.1673 38.7116 177.7724 117 N 4.4005 8.9645 120.0185 56.9966 38.6258 178.1903 118 K 3.9773 8.4225 125.3363 59.7413 31.7010 181.5128 119 I 3.9173 7.9862 121.5507 64.4944 37.1994 178.5269 120 I 3.8178 7.7251 120.4167 64.4568 36.7725 178.2101 121 D 4.3754 8.2704 119.6220 57.3824 40.6959 178.1940 122 E 3.9842 8.2511 119.7053 59.5235 29.5069 178.5789 123 F 4.0645 8.4470 117.9214 60.9278 38.8316 178.0583 124 K 4.1405 8.0636 118.2415 60.0252 31.9045 179.7341 125 K 4.0566 8.1585 123.1567 60.3122 31.6705 180.5196 126 Q 4.3772 8.5193 118.9607 56.3923 29.3848 178.0391 127 Y 4.8198 9.0176 115.8274 56.5369 39.1295 177.5060 128 N 4.9128 8.4042 114.3617 51.3831 42.3046 173.1865 129 D 4.2810 8.9295 124.7201 57.4428 41.1986 176.8251 130 D 4.5087 8.6324 116.3741 54.9112 41.7111 176.5996 131 K 4.1938 7.7972 117.4176 57.2759 33.0268 175.7630 132 I 4.7146 7.4443 119.7129 59.9747 38.2847 175.3894 133 K 4.8564 8.7934 125.6048 54.6768 36.3679 175.1932 134 I 5.2590 7.6059 114.3782 58.9783 41.2562 173.1130 135 G 4.0560 8.6713 113.0454 44.7341 0.0000 173.3542 136 K 4.3990 8.2584 121.8742 52.4390 31.6585 171.2061 137 F 3.8616 8.8616 126.7326 59.0141 39.4260 176.0504 138 G 3.9454 7.9996 113.7704 46.0769 0.0000 173.2154 139 N 4.7769 7.7765 116.7667 51.8959 39.9330 174.2717 140 Y 4.1044 8.5048 121.8933 57.9454 39.2928 174.6129 141 M 5.0099 7.6741 125.7520 53.5621 35.9101 174.8206 142 N 4.7359 9.2262 118.2576 52.1979 42.0510 172.8954 143 I 4.7818 8.4177 127.1716 59.7238 39.7847 175.3581 144 D 4.7166 8.9555 128.0371 53.0617 41.4763 175.1690 145 V 4.5765 8.2135 123.3831 61.6484 33.5170 175.6282 146 T 4.4863 8.6474 125.0211 61.7449 69.3462 172.7330 147 N 4.7887 8.5971 123.7792 53.2619 39.3965 175.2980 148 D 4.2816 10.1144 125.5222 51.1290 39.6704 176.0316 149 G 4.4186 8.1781 116.8579 45.2733 0.0000 169.5168 150 P 4.4153 0.0000 0.0000 60.9878 33.1337 176.0709 151 V 4.4495 8.0856 118.2795 61.7493 34.1983 173.9830 152 T 5.1938 8.6919 124.4992 61.8072 71.1554 173.7598 153 I 4.6436 8.9040 126.7251 59.5511 40.7549 173.7451 154 Y 5.2916 8.7262 127.1292 55.9475 41.2794 174.6703 155 I 4.4276 7.8454 125.5065 59.5409 42.3055 174.0129 156 D 5.0244 8.2596 124.4624 52.2882 43.0015 175.3558 157 T 3.6816 8.8999 118.3588 64.6621 69.4963 175.7458 158 H 4.5023 8.0984 115.3699 56.2890 28.2515 175.0714 159 D 4.4290 7.9191 125.9284 54.5381 41.4698 175.4995 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 M 8.16 5.09 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.16 4.92 0.00 1.38 1.65 0.00 2.21 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.66 0.00 3 V 8.76 5.01 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 0.75 0.00 0.00 1.06 0.00 0.00 4 V 8.69 4.95 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 1.07 0.00 0.00 1.08 0.00 0.00 5 I 9.17 5.01 1.90 0.00 0.00 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 1.28 0.68 0.93 0.00 0.00 6 Q 8.88 5.03 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.01 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 7 R 8.56 4.29 0.00 1.64 1.61 0.00 2.21 0.00 0.00 2.49 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.54 0.00 8 V 8.89 4.99 2.32 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 0.74 0.00 0.00 1.02 0.00 0.00 9 K 9.24 4.10 0.00 1.60 1.85 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.48 1.55 7.81 10 G 7.75 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.56 5.79 1.16 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 12 I 8.45 4.84 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.93 0.91 0.00 0.00 13 L 9.21 5.13 0.00 1.63 1.60 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.03 5.28 0.00 3.92 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 15 V 8.04 5.11 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 1.14 0.00 0.00 1.01 0.00 0.00 *27 L 7.90 4.19 0.00 1.71 1.68 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.20 4.57 0.00 2.28 1.82 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 2.22 2.26 0.00 29 I 8.52 4.29 1.88 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 1.40 0.65 0.94 0.00 0.00 30 I 8.31 4.48 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 1.35 0.68 1.00 0.00 0.00 31 S 7.64 4.55 0.00 3.90 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 32 E 8.74 5.31 0.00 1.96 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 2.17 2.42 0.00 33 I 9.05 4.95 1.84 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 1.05 1.50 0.92 0.00 0.00 34 K 8.71 5.16 0.00 1.73 1.36 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.27 7.81 35 N 8.54 4.67 0.00 1.44 1.73 0.00 0.00 6.71 7.65 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 36 G 7.02 4.73 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 0.00 0.00 0.00 37 L 8.26 5.25 0.00 1.68 1.60 1.09 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.66 4.62 1.77 0.00 0.00 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 0.62 1.20 0.91 0.00 0.00 39 C 8.91 5.10 0.00 2.75 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 F 9.09 4.86 0.00 3.01 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 41 L 9.43 5.03 0.00 1.90 1.82 1.12 1.21 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 42 G 9.61 4.67 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 43 I 8.72 4.92 2.05 0.00 0.00 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 1.64 1.31 1.37 0.00 0.00 44 H 9.36 3.90 0.00 2.96 3.30 0.00 5.60 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.16 3.77 0.00 1.76 1.82 0.00 1.53 0.00 0.00 1.48 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.37 7.81 46 N 8.20 4.78 0.00 2.68 2.83 0.00 0.00 6.93 8.06 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 47 D 7.77 4.69 0.00 2.61 2.32 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 48 T 9.09 4.64 4.34 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 1.34 0.00 0.00 49 W 8.93 4.66 0.00 3.57 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 50 E 8.73 3.99 0.00 2.00 1.94 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 2.24 2.22 0.00 51 D 7.92 4.52 0.00 3.01 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 52 A 8.00 3.83 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.13 3.42 0.00 1.64 1.56 0.94 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.77 3.89 0.00 3.02 3.04 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 55 I 7.57 3.62 1.98 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 1.80 0.86 1.01 0.00 0.00 56 I 7.60 3.03 1.55 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.80 0.08 0.00 0.00 57 R 7.80 3.77 0.00 1.81 1.94 0.00 3.28 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 58 K 7.58 3.92 0.00 1.57 1.76 0.00 1.50 0.00 0.00 1.38 0.00 0.00 2.54 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.76 1.16 7.81 59 C 7.80 4.09 0.00 3.21 3.20 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 60 L 7.68 4.24 0.00 1.88 1.64 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.86 4.92 0.00 2.72 2.76 0.00 0.00 7.02 7.13 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 62 L 8.47 4.05 0.00 1.78 1.65 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.47 4.72 0.00 1.90 2.14 0.00 3.15 0.00 0.00 3.39 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.89 0.00 64 L 8.05 5.07 0.00 1.24 1.48 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.32 4.88 0.00 3.59 2.86 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 66 N 8.69 4.83 0.00 2.66 2.67 0.00 0.00 6.46 6.92 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 67 N 9.23 5.18 0.00 2.68 2.73 0.00 0.00 7.68 8.47 0.00 0.00 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 D 8.22 4.20 0.00 2.80 1.70 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 69 N 9.12 4.41 0.00 2.83 2.96 0.00 0.00 5.84 7.13 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 70 K 8.06 4.46 0.00 1.95 1.77 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.23 7.81 71 T 8.06 5.24 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 1.16 0.00 0.00 72 W 7.71 4.24 0.00 3.42 3.25 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 0.00 73 D 7.97 4.81 0.00 2.77 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 74 K 8.81 4.84 0.00 1.76 1.64 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.48 7.81 75 N 8.75 5.76 0.00 2.94 3.15 0.00 0.00 6.63 7.75 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 76 V 8.57 3.47 2.54 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 0.92 0.00 0.00 1.15 0.00 0.00 77 K 7.99 3.68 0.00 1.77 1.64 0.00 1.43 0.00 0.00 1.47 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 0.84 7.81 78 D 8.91 4.22 0.00 2.62 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 79 L 7.09 3.73 0.00 0.27 0.24 -0.36 0.49 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 80 N 7.47 4.28 0.00 2.72 2.85 0.00 0.00 7.10 7.44 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 81 Y 8.21 5.01 0.00 2.74 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 82 E 8.66 4.96 0.00 1.96 1.92 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 2.23 2.29 0.00 83 L 8.58 5.18 0.00 1.53 1.40 1.18 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.74 4.98 0.00 1.66 1.39 0.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.71 4.75 1.77 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.42 0.92 0.00 0.00 86 V 8.41 4.67 1.80 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 0.89 0.00 0.00 0.82 0.00 0.00 87 S 8.57 4.68 0.00 3.06 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 88 Q 9.97 4.48 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.62 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 89 F 9.04 4.78 0.00 3.52 3.36 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 90 T 7.08 4.03 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 0.66 0.00 0.00 91 L 7.35 3.92 0.00 1.60 1.33 1.01 0.71 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 92 F 8.18 4.85 0.00 3.26 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 93 G 8.00 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 0.00 0.00 0.00 94 N 8.99 4.74 0.00 2.74 2.64 0.00 0.00 6.34 7.05 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 95 T 8.35 4.61 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 1.13 0.00 0.00 96 K 9.60 4.12 0.00 1.80 1.90 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.45 1.36 7.81 97 K 6.97 4.18 0.00 1.83 1.60 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.25 7.81 98 G 7.29 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 0.00 0.00 0.00 99 N 8.70 4.90 0.00 2.72 2.84 0.00 0.00 6.61 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 0.00 100 K 7.23 4.46 0.00 1.55 1.71 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.44 7.81 101 P 0.00 4.47 0.00 1.83 1.73 0.00 3.93 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.03 0.00 102 D 7.53 4.57 0.00 2.69 2.39 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 0.00 103 F 8.97 5.40 0.00 3.22 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 0.00 104 H 7.86 4.24 0.00 3.27 3.37 0.00 5.75 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.85 3.94 0.00 1.49 1.35 1.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.36 4.26 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 0.00 107 K 8.22 4.14 0.00 1.65 1.74 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.59 1.37 7.81 108 E 9.24 3.90 0.00 1.70 1.86 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 2.32 1.93 0.00 109 P 0.00 4.15 0.00 2.17 2.12 0.00 3.55 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 2.07 2.16 0.00 110 N 8.42 4.26 0.00 2.79 2.86 0.00 0.00 7.11 7.66 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 0.00 111 E 8.09 4.01 0.00 1.97 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 2.31 1.94 0.00 112 A 8.36 4.36 1.66 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 0.00 0.00 113 L 8.28 3.12 0.00 0.53 1.57 0.45 0.78 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 0.00 114 I 7.35 3.71 1.96 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 1.39 0.74 0.93 0.00 0.00 115 F 8.30 4.23 0.00 3.16 3.46 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 0.00 0.00 0.00 0.00 116 Y 8.97 4.24 0.00 3.52 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 0.00 117 N 8.96 4.40 0.00 2.96 2.92 0.00 0.00 7.25 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 0.00 118 K 8.42 3.98 0.00 1.73 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 119 I 7.99 3.92 1.95 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 1.12 0.41 0.99 0.00 0.00 120 I 7.73 3.82 1.94 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.96 0.91 0.00 0.00 121 D 8.27 4.38 0.00 2.92 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 0.00 122 E 8.25 3.98 0.00 2.43 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 0.00 2.31 2.29 0.00 123 F 8.45 4.06 0.00 3.30 3.08 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 0.00 124 K 8.06 4.14 0.00 1.89 1.89 0.00 1.92 0.00 0.00 1.88 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.64 7.81 125 K 8.16 4.06 0.00 1.84 1.72 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.37 7.81 126 Q 8.52 4.38 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 127 Y 9.02 4.82 0.00 3.05 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 0.00 0.00 0.00 0.00 128 N 8.40 4.91 0.00 2.58 1.81 0.00 0.00 6.49 8.49 0.00 0.00 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 D 8.93 4.28 0.00 2.64 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 0.00 130 D 8.63 4.51 0.00 2.54 2.56 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 0.00 131 K 7.80 4.19 0.00 1.06 1.50 0.00 1.78 0.00 0.00 1.51 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.89 0.61 7.81 132 I 7.44 4.71 1.85 0.00 0.00 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 1.54 0.98 0.77 0.00 0.00 133 K 8.79 4.86 0.00 1.60 1.62 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.30 1.46 7.81 134 I 7.61 5.26 2.08 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.87 0.98 0.00 0.00 135 G 8.67 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 0.00 136 K 8.26 4.40 0.00 1.69 1.74 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 0.97 7.81 137 F 8.86 3.86 0.00 2.94 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 0.00 138 G 8.00 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 0.00 0.00 0.00 0.00 139 N 7.78 4.78 0.00 2.94 2.82 0.00 0.00 6.88 7.00 0.00 0.00 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 Y 8.50 4.10 0.00 3.12 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 0.00 141 M 7.67 5.01 0.00 1.79 1.78 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 142 N 9.23 4.74 0.00 2.82 2.66 0.00 0.00 7.42 7.57 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 0.00 143 I 8.42 4.78 1.92 0.00 0.00 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 1.32 0.75 0.90 0.00 0.00 144 D 8.96 4.72 0.00 2.61 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 0.00 145 V 8.21 4.58 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 0.84 0.00 0.00 1.00 0.00 0.00 146 T 8.65 4.49 4.24 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 1.21 0.00 0.00 147 N 8.60 4.79 0.00 2.62 2.77 0.00 0.00 6.98 8.06 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 0.00 148 D 10.11 4.28 0.00 2.63 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 0.00 149 G 8.18 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 0.00 0.00 0.00 0.00 150 P 0.00 4.42 0.00 2.07 2.01 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 151 V 8.09 4.45 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 1.30 0.00 0.00 0.86 0.00 0.00 152 T 8.69 5.19 4.26 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 1.25 0.00 0.00 153 I 8.90 4.64 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.03 0.90 0.00 0.00 154 Y 8.73 5.29 0.00 2.88 2.81 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 0.00 155 I 7.85 4.43 1.76 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.48 0.97 0.00 0.00 156 D 8.26 5.02 0.00 2.51 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 0.00 157 T 8.90 3.68 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 1.32 0.00 0.00 158 H 8.10 4.50 0.00 3.29 3.33 0.00 5.60 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.92 4.43 0.00 2.58 2.48 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 * Residues marked with a * may have inaccurate shift predictions.