NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3008 8.3449 119.6874 55.2405 30.1777 174.2440 4 L 3.9935 8.1779 118.9225 54.8381 42.0042 175.9968 5 T 4.4171 8.8483 117.3492 61.7766 71.0542 173.2992 6 L 4.4679 8.4292 127.2187 53.9260 42.6985 177.3665 7 D 4.9228 8.8250 124.9946 51.6079 43.1776 177.0785 8 K 3.9975 8.4251 117.7538 60.7116 32.4285 179.0266 9 T 3.9033 7.9824 116.4516 66.4631 68.3920 176.2012 10 D 4.4009 8.6939 121.2829 57.2402 40.8590 178.8942 11 I 3.7250 7.8047 120.4626 64.0435 37.0229 178.1942 12 K 3.8564 8.0240 120.5596 59.6293 31.9365 178.5357 13 I 3.6969 7.5874 119.6706 64.7442 37.0283 178.4015 14 L 4.0293 7.9392 119.4148 57.9019 40.9500 179.8085 15 Q 3.9777 8.4208 118.4317 58.7555 28.6255 178.8295 16 V 3.6102 7.9776 119.3315 66.1092 31.5117 178.1101 17 L 4.3878 8.0035 120.0657 57.4384 41.2026 179.5215 18 Q 4.0154 8.2236 117.4973 58.8097 28.6717 178.4546 19 E 4.3521 7.7665 117.9035 57.8126 31.0135 177.1625 20 N 4.9395 8.5797 119.1117 50.9894 38.4167 175.2906 21 G 3.7849 8.3331 110.9546 47.8845 0.0000 172.0697 22 R 4.1999 7.8182 117.4608 55.9779 30.6291 176.0771 23 L 4.1058 7.8491 116.7601 56.2178 42.3521 177.6234 24 T 4.1306 8.9250 113.0635 61.3739 70.9915 175.4113 25 N 4.2768 8.7787 121.0667 56.9788 38.9436 177.4583 26 V 3.5335 7.6684 119.0307 65.9278 31.8002 177.4520 27 E 3.9205 8.0299 118.2681 59.4837 29.3066 178.8870 28 L 3.9579 8.2636 120.7565 58.5587 42.0887 179.3757 29 S 4.1967 8.0683 113.6581 61.3681 62.6550 176.3346 30 E 3.9814 7.7635 121.2374 59.3561 29.2936 179.1675 31 R 4.1481 8.0406 117.1263 58.1733 30.1271 178.4515 32 V 4.1927 7.2919 109.2479 59.6696 32.9705 175.6090 33 A 3.7631 8.1114 119.3460 52.9206 15.6022 177.2294 34 L 4.7754 7.7639 118.9748 52.1486 46.7138 177.6852 35 S 4.3184 8.3870 114.5769 57.5203 64.4024 173.1316 36 P 4.2361 0.0000 0.0000 66.0678 30.7750 178.8163 37 S 4.0811 8.0732 113.0878 61.5530 62.7500 174.9911 38 P 4.3833 0.0000 0.0000 65.0473 31.3220 177.8545 39 C 3.9839 7.9778 117.9753 62.6386 31.3839 175.3294 40 L 3.9731 7.8184 121.4706 58.3285 41.5180 178.8204 41 R 3.8705 7.4857 116.8839 59.6089 29.8151 178.4063 42 R 3.8585 8.5704 117.7441 59.1608 30.3635 177.7894 43 L 4.1142 8.4475 120.4890 58.2969 42.0857 179.0690 44 K 4.2261 8.1910 119.1512 59.2773 32.0409 178.5268 45 Q 3.9555 8.2812 120.4959 59.0981 29.0064 178.0649 46 L 4.0725 7.9193 120.0695 57.3810 41.5817 179.4232 47 E 3.9169 8.0877 118.2858 59.6696 29.4725 178.7306 48 D 4.4012 8.1830 117.4060 57.4440 40.8972 178.6214 49 A 4.1796 7.9590 120.7116 53.7468 18.4257 178.3821 50 G 4.0715 7.7064 103.7117 45.5882 0.0000 174.9726 51 I 3.6736 7.6748 120.8871 64.1288 37.1804 177.0046 52 V 3.7363 7.5656 123.0596 62.1534 30.8021 175.3492 53 R 4.2292 8.1488 124.5260 57.5973 30.4323 176.5992 54 Q 4.3848 7.2333 114.7960 55.4269 31.6196 172.0778 55 Y 4.5124 8.6780 122.3710 56.6016 39.2370 175.0010 56 A 4.6446 8.3605 126.1239 50.3074 22.4147 174.7757 57 A 4.4793 8.5528 124.3372 50.8416 19.9211 176.7594 58 L 4.5468 8.4229 123.5058 53.2462 43.1475 176.2423 59 L 4.6091 8.0780 122.9362 52.6905 44.1631 175.9918 60 S 4.3050 8.2659 115.4175 57.2037 62.8014 172.6046 61 P 4.0787 0.0000 0.0000 66.0950 31.0920 178.1443 62 E 4.0353 8.3209 116.6615 59.6316 29.1801 179.3887 63 S 4.3705 7.8218 112.4990 60.0056 63.3424 175.0258 64 V 4.2826 7.9043 117.4049 61.1325 32.1444 176.1509 65 N 4.2010 8.1853 115.7635 54.4686 38.7247 174.0110 66 L 4.7237 7.8338 117.3906 55.2564 39.5559 176.3503 67 G 4.0895 8.1575 104.8593 45.6563 0.0000 170.7033 68 L 4.7194 8.2864 122.7649 53.1790 44.8977 174.5476 69 Q 4.2795 8.5816 127.9852 54.3322 30.7569 173.7600 70 A 5.1191 8.5896 128.2340 50.1000 22.2631 174.6536 71 F 4.9200 8.8222 120.9931 56.2155 41.1053 175.0137 72 I 4.8412 9.0497 124.5824 59.5788 40.4945 174.7040 73 R 4.9925 8.8853 126.6158 54.9730 31.5616 175.4406 74 V 4.9665 8.8584 124.5928 60.9827 34.9558 174.2227 75 S 4.9893 8.6778 120.6902 56.5475 64.9703 172.7810 76 I 4.4982 8.4434 128.4020 60.3335 37.9064 176.1742 77 R 4.0548 8.4563 123.4365 55.9760 30.4862 177.3006 78 K 4.1328 8.6027 122.1112 55.1728 30.6316 175.5326 79 A 4.7807 7.7205 126.3568 49.2675 22.0801 176.9501 80 K 4.1144 8.6035 120.1281 59.3732 32.5001 178.0494 81 D 4.6974 7.9796 116.2032 54.6333 41.3875 177.9044 82 A 4.0663 8.0692 121.9870 55.3302 18.1819 179.5113 83 R 3.8815 7.9193 116.3822 59.7852 30.3532 178.4954 84 E 4.0375 8.1177 117.8346 59.1043 29.5701 178.5015 85 D 4.3625 8.5070 119.5026 57.5734 41.0070 178.8270 86 F 3.8428 8.2876 121.3934 60.4209 39.3826 176.7322 87 A 3.6657 7.8862 120.1793 55.1536 17.9434 179.4648 88 A 3.7805 7.9851 118.1765 55.2932 18.3685 179.7444 89 S 3.7713 7.9088 113.0387 61.1718 63.2024 176.5529 90 V 2.3643 6.8725 122.1081 65.5993 30.8410 178.3409 91 R 3.8415 7.2044 115.9420 58.6756 29.9057 178.5237 92 K 4.4285 7.1540 116.6839 56.4633 32.4327 176.9917 93 W 4.7199 7.5077 119.7884 55.4370 28.4042 175.2950 94 P 4.3165 0.0000 0.0000 65.1392 31.2870 178.2334 95 E 3.7623 8.0999 115.9486 58.2551 29.8331 176.3492 96 V 4.2421 7.2818 119.5740 62.1005 31.0563 175.0114 97 L 4.5106 8.6167 128.9663 56.6881 42.7060 177.1720 98 S 4.5874 7.5386 111.1684 57.2565 67.0366 172.5858 99 C 5.1239 6.9117 116.4129 58.7765 34.1469 172.9080 100 F 5.0114 9.0568 123.5460 55.9199 43.5930 173.6650 101 A 4.4018 8.8266 125.1674 51.1242 18.2095 176.5502 102 L 4.8303 8.1456 121.2630 53.7381 44.1852 177.2448 103 T 4.0325 8.2685 111.4086 62.3644 70.0464 174.0401 104 G 3.9037 8.5026 106.8551 44.3378 0.0000 173.3271 105 E 4.0718 8.8542 118.0170 59.1445 29.7934 177.5040 106 T 4.4668 7.6056 107.4651 60.7884 70.3337 174.1846 107 D 4.5823 8.6000 123.1732 56.1513 42.7022 175.8432 108 Y 5.0904 8.1930 114.5928 56.0427 42.8531 174.2344 109 L 5.3769 9.4759 124.7198 53.4802 45.1748 175.1323 110 L 5.3201 9.5910 126.2600 53.0395 45.3408 175.2319 111 Q 4.5951 8.8997 122.5179 54.2970 31.5183 174.1244 112 A 5.1364 8.7770 127.7794 50.0472 23.0836 174.3385 113 F 4.9843 8.2380 117.2002 55.7332 42.4162 174.7796 114 F 4.9693 9.3249 120.5756 56.1578 43.3811 176.3890 115 T 4.3121 9.2831 116.6600 65.8252 70.3055 174.3243 116 D 4.2930 8.2568 124.2904 53.8864 45.2620 176.8144 *118 N 4.5764 9.2568 115.9097 52.9874 41.4618 175.8630 119 A 4.0348 7.9504 118.4601 55.6105 18.4150 179.3608 120 F 3.0190 8.4023 119.0640 61.1534 39.2794 177.2044 121 S 3.9821 7.9349 112.1754 61.5480 62.1735 175.2694 122 H 4.0193 8.1027 120.8970 59.3160 29.4820 176.9560 123 F 3.8487 7.9012 121.8019 61.2289 39.1858 177.5885 124 V 3.2705 7.2510 111.8939 64.4173 31.1455 178.7105 125 L 3.9183 7.7053 117.3130 57.0686 41.5913 178.3248 126 D 4.7125 8.0480 116.3007 54.6314 40.8773 176.9052 127 T 4.1579 7.0177 113.2582 64.6734 70.1691 175.8868 128 L 3.8564 6.9981 121.6937 58.1841 42.1232 178.7512 129 L 4.2106 7.7610 116.1911 56.0166 41.8848 177.6622 130 S 4.5670 7.1790 112.4369 58.0647 63.9190 173.8949 131 H 4.4413 7.9345 122.9983 56.0900 30.2624 175.5574 132 H 4.1975 9.0083 122.6699 58.8669 28.5265 176.4292 133 G 3.7052 7.9205 105.1453 46.8645 0.0000 173.2302 134 V 4.1134 7.5579 121.6346 61.9193 31.3713 175.3535 135 Q 4.2714 9.2836 130.9549 58.4964 29.9264 175.2160 136 D 4.8595 7.7170 115.7730 52.9946 45.0038 173.9307 137 A 5.1786 8.4754 124.1742 50.5644 22.3479 175.8713 138 Q 4.5406 9.4899 121.8725 54.0439 31.1816 174.1294 139 S 5.2408 8.5737 118.4002 56.8005 65.1954 173.6119 140 S 4.4478 8.8076 116.3524 56.5466 66.6822 172.5534 141 F 5.4098 8.3615 117.8814 55.5863 42.5849 174.8127 142 V 4.0496 8.4968 121.8248 62.5645 31.2956 175.9477 143 L 4.3989 8.6586 127.4979 55.8675 42.6600 176.9470 144 K 4.2467 7.6218 117.6016 55.6119 34.4737 175.0203 145 E 4.3819 8.6600 128.6451 54.8917 28.2370 175.4640 146 I 3.9036 8.0632 125.2928 63.5505 37.7340 176.8194 147 K 4.4311 7.6514 117.5734 55.7885 34.7418 174.3946 148 H 4.5316 8.4753 124.7516 55.9000 31.4456 172.3686 149 T 4.6951 8.0555 120.7781 60.5731 70.4148 173.4745 150 T 4.2452 8.2949 114.4764 61.9668 69.7178 174.9512 151 S 4.2021 8.0194 118.7852 58.1910 62.7899 173.4499 152 L 4.4999 8.7152 128.4377 52.9793 42.7303 174.5300 153 P 4.6011 0.0000 0.0000 62.5125 32.4320 175.9560 154 L 4.7385 8.3097 118.8278 54.3811 43.5241 177.6082 155 N 4.5898 8.0875 116.8938 55.0711 38.8494 176.5731 156 H 4.3573 8.1262 113.1419 57.7179 28.8164 176.1725 157 L 4.1775 7.3494 118.7293 55.5075 41.9791 176.7569 158 L 4.2428 7.3752 123.5029 54.7748 41.6563 176.2512 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 8.34 4.30 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.00 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 4 L 8.18 3.99 0.00 1.71 1.61 0.92 0.47 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 5 T 8.85 4.42 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 6 L 8.43 4.47 0.00 1.62 1.60 0.91 1.08 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 7 D 8.83 4.92 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 8 K 8.43 4.00 0.00 2.00 2.11 0.00 1.50 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.53 7.81 9 T 7.98 3.90 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 1.27 0.00 0.00 10 D 8.69 4.40 0.00 2.76 2.70 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 11 I 7.80 3.72 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.84 0.89 0.00 0.00 12 K 8.02 3.86 0.00 1.99 2.07 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.54 7.81 13 I 7.59 3.70 2.11 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 1.75 0.75 0.94 0.00 0.00 14 L 7.94 4.03 0.00 1.75 1.71 1.05 1.16 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 15 Q 8.42 3.98 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 16 V 7.98 3.61 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 1.05 0.00 0.00 1.00 0.00 0.00 17 L 8.00 4.39 0.00 2.00 1.83 1.06 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.22 4.02 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 19 E 7.77 4.35 0.00 1.97 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 2.34 2.50 0.00 20 N 8.58 4.94 0.00 2.76 2.73 0.00 0.00 6.97 8.25 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 21 G 8.33 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.82 4.20 0.00 1.78 1.94 0.00 3.27 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 23 L 7.85 4.11 0.00 1.67 1.62 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.93 4.13 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 25 N 8.78 4.28 0.00 2.83 2.86 0.00 0.00 6.73 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 26 V 7.67 3.53 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 1.01 0.00 0.00 0.92 0.00 0.00 27 E 8.03 3.92 0.00 2.25 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 2.32 0.00 28 L 8.26 3.96 0.00 1.72 1.84 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.07 4.20 0.00 4.27 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 0.00 30 E 7.76 3.98 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 2.34 2.50 0.00 31 R 8.04 4.15 0.00 1.93 2.00 0.00 3.14 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 32 V 7.29 4.19 2.09 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 0.82 0.00 0.00 1.00 0.00 0.00 33 A 8.11 3.76 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 34 L 7.76 4.78 0.00 1.61 1.52 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.39 4.32 0.00 3.89 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 36 P 0.00 4.24 0.00 2.19 2.10 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 37 S 8.07 4.08 0.00 3.86 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 38 P 0.00 4.38 0.00 2.16 2.08 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 39 C 7.98 3.98 0.00 3.09 3.15 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 0.00 0.00 0.00 0.00 40 L 7.82 3.97 0.00 2.04 1.86 0.96 0.95 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 41 R 7.49 3.87 0.00 1.96 2.12 0.00 3.15 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 42 R 8.57 3.86 0.00 1.89 2.08 0.00 3.38 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 43 L 8.45 4.11 0.00 1.84 1.91 1.06 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.19 4.23 0.00 1.90 1.93 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.47 7.81 45 Q 8.28 3.96 0.00 2.39 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 46 L 7.92 4.07 0.00 1.91 1.70 0.94 0.95 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 47 E 8.09 3.92 0.00 2.21 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 2.49 2.48 0.00 48 D 8.18 4.40 0.00 2.70 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 49 A 7.96 4.18 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 50 G 7.71 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 51 I 7.67 3.67 1.98 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 1.18 0.57 0.89 0.00 0.00 52 V 7.57 3.74 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.86 0.00 0.00 53 R 8.15 4.23 0.00 1.92 2.00 0.00 3.11 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 54 Q 7.23 4.38 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 55 Y 8.68 4.51 0.00 3.04 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 56 A 8.36 4.64 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 57 A 8.55 4.48 1.25 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 0.00 0.00 58 L 8.42 4.55 0.00 1.65 1.61 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.08 4.61 0.00 1.52 1.51 0.87 0.89 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 60 S 8.27 4.31 0.00 3.84 3.73 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 61 P 0.00 4.08 0.00 2.25 1.95 0.00 3.62 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.59 0.00 62 E 8.32 4.04 0.00 2.02 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 2.44 2.43 0.00 63 S 7.82 4.37 0.00 3.96 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.90 4.28 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 0.66 0.00 0.00 0.95 0.00 0.00 65 N 8.19 4.20 0.00 2.96 2.85 0.00 0.00 7.28 6.83 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 66 L 7.83 4.72 0.00 1.66 1.76 0.79 0.72 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 67 G 8.16 4.09 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 0.00 0.00 0.00 68 L 8.29 4.72 0.00 1.78 1.83 0.61 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.58 4.28 0.00 1.71 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 1.79 1.16 0.00 70 A 8.59 5.12 1.09 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 0.00 0.00 71 F 8.82 4.92 0.00 2.93 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 72 I 9.05 4.84 2.10 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.13 1.14 0.00 0.00 73 R 8.89 4.99 0.00 1.96 1.93 0.00 3.09 0.00 0.00 3.12 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 74 V 8.86 4.97 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 0.67 0.00 0.00 1.16 0.00 0.00 75 S 8.68 4.99 0.00 3.93 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 76 I 8.44 4.50 1.92 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.64 0.91 0.00 0.00 77 R 8.46 4.05 0.00 1.80 1.92 0.00 3.13 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 78 K 8.60 4.13 0.00 1.74 1.79 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.38 7.81 79 A 7.72 4.78 1.29 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 80 K 8.60 4.11 0.00 1.74 1.86 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 81 D 7.98 4.70 0.00 2.95 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.07 4.07 1.34 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 0.00 0.00 0.00 83 R 7.92 3.88 0.00 1.96 2.00 0.00 3.27 0.00 0.00 3.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.93 0.00 84 E 8.12 4.04 0.00 2.03 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 2.42 2.35 0.00 85 D 8.51 4.36 0.00 2.76 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 86 F 8.29 3.84 0.00 2.93 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 87 A 7.89 3.67 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 88 A 7.99 3.78 1.28 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 89 S 7.91 3.77 0.00 3.27 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 90 V 6.87 2.36 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 0.75 0.00 0.00 -0.41 0.00 0.00 91 R 7.20 3.84 0.00 1.85 1.87 0.00 3.11 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.81 0.00 92 K 7.15 4.43 0.00 1.55 1.88 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.38 7.81 93 W 7.51 4.72 0.00 3.62 3.28 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 94 P 0.00 4.32 0.00 2.04 2.12 0.00 3.78 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 95 E 8.10 3.76 0.00 1.59 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 1.74 1.65 0.00 96 V 7.28 4.24 2.45 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 0.84 0.00 0.00 1.24 0.00 0.00 97 L 8.62 4.51 0.00 1.60 1.73 1.28 0.65 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 98 S 7.54 4.59 0.00 3.75 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 99 C 6.91 5.12 0.00 2.83 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 9.06 5.01 0.00 3.05 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 0.00 101 A 8.83 4.40 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 0.00 102 L 8.15 4.83 0.00 1.53 1.58 1.01 1.00 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 0.00 103 T 8.27 4.03 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 104 G 8.50 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 0.00 105 E 8.85 4.07 0.00 1.97 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 2.31 2.29 0.00 106 T 7.61 4.47 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 1.24 0.00 0.00 107 D 8.60 4.58 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.25 0.00 0.00 116 D 8.26 4.29 0.00 2.82 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 *118 N 9.26 4.58 0.00 3.05 2.96 0.00 0.00 6.66 7.85 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 0.00 119 A 7.95 4.03 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.40 3.02 0.00 2.66 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 0.00 121 S 7.93 3.98 0.00 3.95 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 0.00 122 H 8.10 4.02 0.00 3.24 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.90 3.85 0.00 3.26 2.82 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 0.00 0.00 0.00 124 V 7.25 3.27 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 0.16 0.00 0.00 0.75 0.00 0.00 125 L 7.71 3.92 0.00 1.60 1.65 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.05 4.71 0.00 2.74 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 0.00 127 T 7.02 4.16 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 -0.02 0.00 0.00 128 L 7.00 3.86 0.00 1.02 1.34 1.47 1.19 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 0.00 129 L 7.76 4.21 0.00 1.72 1.68 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 130 S 7.18 4.57 0.00 4.13 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 0.00 131 H 7.93 4.44 0.00 3.63 3.51 0.00 5.60 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 9.01 4.20 0.00 3.31 3.42 0.00 5.58 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 7.92 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.56 4.11 2.29 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 0.71 0.00 0.00 0.93 0.00 0.00 135 Q 9.28 4.27 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.39 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 136 D 7.72 4.86 0.00 2.72 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 0.00 137 A 8.48 5.18 1.25 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 0.00 0.00 138 Q 9.49 4.54 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 139 S 8.57 5.24 0.00 3.49 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 0.00 140 S 8.81 4.45 0.00 3.72 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 8.36 5.41 0.00 2.88 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 8.50 4.05 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 0.82 0.00 0.00 1.17 0.00 0.00 143 L 8.66 4.40 0.00 1.69 1.72 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.62 4.25 0.00 1.69 1.67 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.42 7.81 145 E 8.66 4.38 0.00 2.03 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 2.33 2.40 0.00 146 I 8.06 3.90 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 1.31 0.54 0.92 0.00 0.00 147 K 7.65 4.43 0.00 1.69 1.64 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.42 7.81 148 H 8.48 4.53 0.00 3.15 3.30 0.00 5.92 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.06 4.70 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 1.25 0.00 0.00 150 T 8.29 4.25 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 1.22 0.00 0.00 151 S 8.02 4.20 0.00 3.85 3.82 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 0.00 0.00 0.00 152 L 8.72 4.50 0.00 1.81 1.58 0.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.60 0.00 2.20 2.05 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 154 L 8.31 4.74 0.00 1.66 1.62 0.92 0.75 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 0.00 155 N 8.09 4.59 0.00 2.76 2.85 0.00 0.00 6.84 8.16 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 0.00 156 H 8.13 4.36 0.00 3.27 3.43 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.35 4.18 0.00 1.66 1.68 0.86 0.94 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 0.00 158 L 7.38 4.24 0.00 1.75 1.55 0.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.