NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 L 4.0838 8.1849 122.4331 54.9538 42.7574 175.7306 -3 Y 4.6379 8.2291 124.5217 54.7874 39.1710 174.3992 -2 F 5.2361 9.0635 118.9889 55.4387 42.0283 174.2174 -1 Q 4.2052 8.7538 121.1260 57.2562 29.0305 177.9839 0 G 3.8667 8.9128 105.4124 45.9914 0.0000 171.0010 -2 P 5.0361 0.0000 0.0000 61.0387 34.5283 175.7174 -1 H 4.5952 8.8538 119.5260 56.5562 28.6305 176.0839 0 L 4.2467 8.7428 118.4124 55.9914 39.3772 173.7010 5 V 4.7464 8.7286 126.1924 61.2491 34.1952 173.9396 6 I 4.8420 8.7477 129.3018 59.6347 39.5611 174.4718 7 E 4.8986 9.4283 126.1342 54.2903 32.8325 174.8280 8 A 4.9739 8.0517 125.6318 49.7102 22.3705 175.6226 9 T 3.4851 7.9197 112.6272 61.1902 69.2566 175.6698 10 A 3.9595 7.9019 126.6834 54.9940 18.5363 178.4718 11 N 4.5834 7.1399 109.3546 53.4777 37.8877 174.8495 12 L 4.2098 7.6764 122.8691 55.0209 42.9029 175.9867 13 R 4.6220 9.1948 125.8896 54.9042 31.9592 175.5399 14 L 5.2174 8.3352 122.3701 52.9718 44.2205 176.5262 15 E 4.3531 9.5807 120.5801 58.1809 30.4089 176.8185 16 T 4.5740 7.5696 108.2479 58.4414 72.2468 174.1159 17 S 4.2174 8.2075 117.0389 57.6821 64.8853 173.2896 18 P 3.5491 0.0000 0.0000 65.5460 30.8137 179.2275 19 G 3.4817 7.7451 103.8706 47.7121 0.0000 175.2254 20 E 3.8860 8.3173 122.1409 58.7890 29.5511 178.6175 21 L 3.9214 7.9579 120.4430 58.0948 42.0811 178.9246 22 L 3.9988 8.1117 119.1131 57.8794 41.5043 179.3080 23 E 3.9718 8.3588 118.5714 59.6543 29.4323 179.5538 24 Q 3.9871 8.3531 117.8747 58.6975 28.6466 178.6470 25 A 4.0197 8.2992 122.0607 55.3559 18.5099 179.4511 26 N 4.2878 8.6006 115.2189 56.3335 38.5072 177.4346 27 A 4.1181 8.3477 122.1326 55.2107 18.2601 179.5646 28 A 3.9895 7.9573 117.9918 55.2419 18.9007 179.5738 29 L 4.2796 8.3100 117.7802 58.1427 41.7942 179.5982 30 F 4.4113 8.9750 120.7398 61.2678 39.1052 176.9194 31 A 3.9836 8.3899 120.0335 54.5544 18.1649 179.3149 32 S 4.1516 7.6879 112.1874 59.5028 62.9093 175.7385 33 G 3.6615 7.4307 108.7779 45.9462 0.0000 173.9972 34 Q 4.0294 7.3461 117.4251 55.6622 29.3276 175.7769 35 F 5.4149 7.3929 115.4905 55.1939 43.0630 174.8141 36 G 4.2512 9.1360 111.6846 44.8089 0.0000 174.2390 37 E 3.4540 9.1880 123.0636 59.0402 29.5998 178.6365 38 A 4.2119 7.8781 117.5684 53.2788 18.9999 177.4378 39 D 4.6258 7.9789 115.4992 55.3434 41.5664 176.1422 40 I 4.2202 7.1779 120.0005 60.8112 37.4680 175.9036 41 K 4.6491 8.5962 127.3243 54.5826 34.1705 175.8312 42 S 5.9664 8.7179 119.5456 56.7044 66.0385 173.5444 43 R 4.8358 8.3716 116.2409 54.8580 33.0143 173.1309 44 F 5.3363 8.8956 122.4997 56.6139 42.1065 174.5356 45 V 4.5229 8.3210 118.7870 59.7798 35.3526 174.6559 46 T 4.6049 8.4438 121.2462 62.6120 69.9035 174.3663 47 L 4.3399 8.8119 127.5340 53.9975 41.9599 177.7141 48 E 4.1062 9.0375 124.2302 57.7723 29.9922 176.8227 49 A 4.5083 7.9105 120.3491 50.4297 20.7785 174.3930 50 Y 4.9710 7.4951 118.7126 56.4933 41.0856 174.6658 51 R 4.5021 8.5153 119.9299 55.3462 33.0951 173.8357 52 Q 4.4356 8.9661 126.6785 55.1067 30.2763 175.9304 53 G 3.9163 8.6679 116.8639 45.6694 0.0000 172.0630 54 T 4.4207 8.3612 106.4274 61.8031 70.9970 174.6836 55 A 4.0578 7.9224 123.6533 52.1982 19.2977 177.6626 56 A 4.3872 8.1936 124.5963 50.9069 17.0839 177.1557 57 V 4.5469 7.1808 119.3639 60.0543 35.3110 174.5699 58 E 4.3660 9.4692 127.4502 56.4735 30.2793 176.1531 59 R 5.0893 8.6924 122.0306 54.5375 34.4285 174.2257 60 A 4.8456 8.6400 122.6438 50.5005 22.4991 174.6871 61 Y 5.0832 8.0410 116.6779 55.6985 42.3906 173.6186 62 L 5.2595 9.0889 121.7365 53.8559 45.7712 174.5498 63 H 5.5632 9.6239 125.2134 54.4829 33.7613 171.6768 64 A 5.1584 8.7263 125.4661 50.1774 22.9795 174.6434 65 C 4.9359 8.9692 120.4629 57.5523 34.6087 172.4911 66 L 5.1634 8.8554 129.9820 54.0583 43.2620 175.1540 67 S 5.3525 8.7040 122.7201 56.7926 64.9441 173.4053 68 I 4.6085 8.4216 117.7310 58.3670 41.1716 174.8316 69 L 4.3555 8.3199 122.5858 54.2695 41.7874 177.3205 70 D 4.7901 8.0093 121.3761 53.7418 39.8747 176.8685 71 G 4.0169 8.9327 106.7052 45.6965 0.0000 174.5842 72 R 4.2052 7.7019 118.5116 55.5262 31.2236 176.0802 73 D 4.7168 8.2085 119.8455 52.2923 42.2209 177.2625 74 A 3.9723 8.3922 120.5481 55.2223 18.2793 179.5443 75 A 3.9195 7.9607 118.7460 55.5439 18.4872 179.7133 76 T 3.7776 8.3427 114.1916 66.9304 68.5843 176.9328 77 R 3.9354 7.7649 119.2657 59.3768 30.1250 178.9107 78 Q 3.9381 8.3611 119.1939 59.1925 29.0794 178.2416 79 A 4.0052 8.1752 121.7760 55.0855 18.3985 179.5616 80 L 4.1076 8.0883 117.6956 57.9219 41.6563 180.0591 81 G 3.5957 8.1384 105.6159 47.8042 0.0000 175.5683 82 E 3.9660 8.3174 121.2905 59.1307 29.4186 179.3089 83 S 4.1071 8.1395 113.0386 61.5829 62.3606 176.3354 84 L 4.0442 7.9651 121.5896 57.8528 41.2625 178.9799 85 C 4.0908 8.3752 118.9385 62.3565 31.4735 175.2802 86 E 3.9188 8.2733 120.9933 59.1289 29.0118 178.9026 87 V 3.5840 7.3580 116.7422 66.0318 31.9419 177.5810 88 L 4.1533 8.2115 118.6327 57.9405 41.5179 179.4781 89 A 4.1308 8.4613 121.0946 55.1617 18.0845 179.9008 90 G 3.6294 8.0917 103.0219 47.5363 0.0000 175.0595 91 A 4.3163 7.9145 121.7217 52.2006 18.7918 177.2209 92 V 3.8809 7.1241 117.7128 62.6333 32.2699 175.3873 93 A 4.4951 8.4604 130.4948 51.7976 19.5431 177.5520 94 G 4.1211 7.3472 105.2940 45.7148 0.0000 171.3232 95 G 4.0670 8.4220 105.4640 45.8681 0.0000 175.8512 96 G 3.8702 8.7775 109.9403 45.3881 0.0000 173.6276 97 E 4.6258 8.8704 119.9147 55.9350 30.4410 175.3122 98 E 4.5449 7.6827 116.3393 55.2902 32.1757 174.8429 99 G 3.7656 8.6383 107.1107 46.2471 0.0000 172.6201 100 V 4.5267 7.9963 119.4366 60.8767 33.4595 175.0837 101 Q 4.2897 8.7980 127.5405 55.7536 29.9161 174.9505 102 V 5.1514 8.4705 124.1137 61.1620 33.7628 174.6741 103 S 4.8633 9.1201 121.1205 56.8517 67.0693 173.0047 104 V 4.7254 8.2070 119.9048 61.4239 34.2259 173.7686 105 E 4.6173 9.1290 129.2584 54.7025 31.7984 174.5365 106 V 4.8313 8.4056 126.3083 61.2662 33.2903 174.6241 107 R 4.7438 9.1568 124.5264 54.7340 32.8154 174.7692 108 E 5.8791 8.1118 117.9007 53.6207 32.5815 174.1815 *110 E 4.5559 8.7126 119.2130 56.5849 30.0590 177.3312 111 R 3.9322 9.2114 124.2165 58.8539 29.9134 178.8981 112 A 4.0619 8.1336 120.8832 54.2098 18.4397 177.8200 113 S 4.6336 7.6243 108.0169 58.0226 63.7355 173.5155 114 Y 4.2145 7.8337 123.3626 57.4135 38.8108 174.2394 115 A 4.6907 7.9288 130.3172 50.2426 21.1198 175.6969 116 K 4.6363 8.0497 119.5139 55.8813 35.5012 175.4859 117 R 4.8052 8.3886 117.9567 55.2441 34.0684 174.5231 118 V 4.0316 8.1521 119.7028 60.9664 32.9919 175.2546 119 V 3.9159 8.2240 127.4312 61.1603 31.5485 175.3836 120 A 4.0621 8.3434 130.5543 51.9501 18.9667 176.9260 121 R 4.0360 8.3893 119.4533 56.6601 30.1275 176.4849 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 8.18 4.08 0.00 1.50 1.57 0.94 0.31 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 -3 Y 8.23 4.64 0.00 3.20 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 -2 F 9.06 5.24 0.00 3.32 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 -1 Q 8.75 4.21 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.14 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 0 G 8.91 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 -2 P 0.00 5.04 0.00 2.47 1.83 0.00 2.20 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.06 0.00 -1 H 8.85 4.60 0.00 3.43 3.43 0.00 7.30 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 L 8.74 4.25 0.00 1.57 1.66 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.73 4.75 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 1.00 0.00 0.00 0.94 0.00 0.00 6 I 8.75 4.84 2.01 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.54 0.97 0.00 0.00 7 E 9.43 4.90 0.00 1.83 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 2.14 2.18 0.00 8 A 8.05 4.97 1.01 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 0.00 0.00 9 T 7.92 3.49 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 -0.39 0.00 0.00 10 A 7.90 3.96 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 11 N 7.14 4.58 0.00 2.85 3.05 0.00 0.00 6.93 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.68 4.21 0.00 1.55 1.63 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 13 R 9.19 4.62 0.00 1.91 1.82 0.00 3.12 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 14 L 8.34 5.22 0.00 1.58 1.60 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 15 E 9.58 4.35 0.00 1.85 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 2.46 2.40 0.00 16 T 7.57 4.57 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 1.19 0.00 0.00 17 S 8.21 4.22 0.00 3.96 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 18 P 0.00 3.55 0.00 1.77 0.64 0.00 3.39 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.49 0.00 19 G 7.75 3.48 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 0.00 20 E 8.32 3.89 0.00 2.03 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 0.00 2.28 2.33 0.00 21 L 7.96 3.92 0.00 1.74 1.69 0.95 0.68 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 22 L 8.11 4.00 0.00 1.87 1.71 0.96 1.29 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 23 E 8.36 3.97 0.00 2.16 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 2.31 2.49 0.00 24 Q 8.35 3.99 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 25 A 8.30 4.02 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 26 N 8.60 4.29 0.00 2.99 2.90 0.00 0.00 6.97 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 27 A 8.35 4.12 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 28 A 7.96 3.99 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 29 L 8.31 4.28 0.00 1.96 1.88 0.84 1.32 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 30 F 8.97 4.41 0.00 3.20 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 31 A 8.39 3.98 1.39 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 0.00 0.00 32 S 7.69 4.15 0.00 3.99 4.04 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 33 G 7.43 3.66 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 0.00 34 Q 7.35 4.03 0.00 0.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 6.60 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 35 F 7.39 5.41 0.00 3.16 2.92 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 36 G 9.14 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 0.00 0.00 0.00 0.00 37 E 9.19 3.45 0.00 1.54 1.81 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 1.70 1.73 0.00 38 A 7.88 4.21 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 39 D 7.98 4.63 0.00 3.00 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 40 I 7.18 4.22 1.86 0.00 0.00 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 1.08 0.67 0.90 0.00 0.00 41 K 8.60 4.65 0.00 1.52 1.74 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.16 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.49 7.81 42 S 8.72 5.97 0.00 3.85 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.37 4.84 0.00 1.87 2.05 0.00 3.11 0.00 0.00 3.54 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 44 F 8.90 5.34 0.00 3.03 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 45 V 8.32 4.52 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 0.70 0.00 0.00 0.82 0.00 0.00 46 T 8.44 4.60 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 1.20 0.00 0.00 47 L 8.81 4.34 0.00 1.37 1.64 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.04 4.11 0.00 1.99 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 2.33 0.00 49 A 7.91 4.51 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 7.50 4.97 0.00 3.13 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 51 R 8.52 4.50 0.00 1.71 1.82 0.00 3.19 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 52 Q 8.97 4.44 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.65 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 53 G 8.67 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.36 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 55 A 7.92 4.06 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 56 A 8.19 4.39 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 57 V 7.18 4.55 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 0.95 0.00 0.00 0.95 0.00 0.00 58 E 9.47 4.37 0.00 2.02 1.91 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 2.45 2.46 0.00 59 R 8.69 5.09 0.00 1.76 2.05 0.00 3.36 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 60 A 8.64 4.85 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 61 Y 8.04 5.08 0.00 3.18 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 62 L 9.09 5.26 0.00 1.77 1.54 1.04 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 63 H 9.62 5.56 0.00 3.30 3.15 0.00 5.77 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 64 A 8.73 5.16 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 65 C 8.97 4.94 0.00 2.97 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 66 L 8.86 5.16 0.00 1.78 1.51 0.85 1.12 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 67 S 8.70 5.35 0.00 3.78 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 68 I 8.42 4.61 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.77 0.96 0.00 0.00 69 L 8.32 4.36 0.00 1.50 1.55 0.83 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.01 4.79 0.00 2.81 2.79 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 71 G 8.93 4.02 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 0.00 0.00 0.00 72 R 7.70 4.21 0.00 1.82 1.86 0.00 3.35 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 73 D 8.21 4.72 0.00 2.93 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 74 A 8.39 3.97 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 75 A 7.96 3.92 1.31 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 0.00 0.00 76 T 8.34 3.78 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 77 R 7.76 3.94 0.00 2.01 2.00 0.00 3.14 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 78 Q 8.36 3.94 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 79 A 8.18 4.01 1.39 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 0.00 0.00 80 L 8.09 4.11 0.00 1.93 1.83 1.13 1.06 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 81 G 8.14 3.60 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 0.00 0.00 0.00 82 E 8.32 3.97 0.00 2.18 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 2.34 2.43 0.00 83 S 8.14 4.11 0.00 3.98 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 84 L 7.97 4.04 0.00 1.91 1.71 0.93 0.88 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 85 C 8.38 4.09 0.00 3.12 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 86 E 8.27 3.92 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 87 V 7.36 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 0.92 0.00 0.00 1.03 0.00 0.00 88 L 8.21 4.15 0.00 1.89 1.74 0.94 1.22 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 89 A 8.46 4.13 1.37 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 0.00 0.00 90 G 8.09 3.63 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 0.00 0.00 0.00 91 A 7.91 4.32 1.42 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 92 V 7.12 3.88 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.99 0.00 0.00 93 A 8.46 4.50 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 94 G 7.35 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.42 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 96 G 8.78 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 97 E 8.87 4.63 0.00 2.02 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 2.46 2.22 0.00 98 E 7.68 4.54 0.00 2.05 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 2.20 2.32 0.00 99 G 8.64 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.00 4.53 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 0.93 0.00 0.00 0.95 0.00 0.00 101 Q 8.80 4.29 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.64 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 102 V 8.47 5.15 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 0.86 0.00 0.00 0.97 0.00 0.00 103 S 9.12 4.86 0.00 3.94 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 0.00 104 V 8.21 4.73 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 0.79 0.00 0.00 0.93 0.00 0.00 105 E 9.13 4.62 0.00 2.13 1.81 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 2.24 2.25 0.00 106 V 8.41 4.83 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 0.92 0.00 0.00 1.00 0.00 0.00 107 R 9.16 4.74 0.00 1.85 2.19 0.00 2.78 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 108 E 8.11 5.88 0.00 2.01 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 2.28 2.21 0.00 *110 E 8.71 4.56 0.00 2.04 1.93 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 2.39 2.28 0.00 111 R 9.21 3.93 0.00 2.02 2.15 0.00 2.82 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.58 0.00 112 A 8.13 4.06 1.37 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 0.00 0.00 113 S 7.62 4.63 0.00 3.96 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 0.00 114 Y 7.83 4.21 0.00 3.03 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 0.00 115 A 7.93 4.69 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 0.00 116 K 8.05 4.64 0.00 1.86 1.52 0.00 0.85 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.16 1.17 7.81 117 R 8.39 4.81 0.00 1.81 1.85 0.00 3.17 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 118 V 8.15 4.03 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 0.60 0.00 0.00 -0.03 0.00 0.00 119 V 8.22 3.92 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 0.82 0.00 0.00 0.92 0.00 0.00 120 A 8.34 4.06 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 R 8.39 4.04 0.00 1.75 1.80 0.00 3.41 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.