NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.0837 7.8827 121.4458 61.1516 38.5324 173.8047 17 V 4.4170 8.2124 124.9645 61.6260 33.1326 173.5199 18 G 3.9118 8.9823 114.4538 46.7074 0.0000 173.0190 19 G 4.3341 7.9029 110.5751 43.5629 0.0000 172.7066 20 Y 4.8837 7.6368 115.8169 54.9990 41.1720 174.8203 21 T 4.0170 8.4855 117.6908 63.1604 68.8997 174.9423 22 C 4.2640 8.3005 124.2767 59.1614 29.1152 173.5648 23 A 3.9974 8.4890 125.2099 51.6947 18.6155 176.8861 24 A 3.5803 8.4670 124.2990 53.7507 18.3879 177.1137 25 N 4.2413 8.6626 119.9955 54.7108 35.8864 175.2888 26 S 4.4827 7.9584 111.2545 58.8488 64.3593 174.2076 27 I 4.2101 6.9409 121.2808 58.6952 37.4513 174.1381 28 P 4.4293 0.0000 0.0000 64.7066 31.7226 178.1598 29 Y 5.1274 6.8658 114.7514 56.7214 38.6882 174.3605 30 Q 4.5077 7.6007 123.7125 56.2152 29.4371 175.4145 31 V 4.8863 8.6999 118.4305 59.6219 36.3197 174.2314 32 S 4.8439 8.7227 117.1272 56.5456 64.8880 172.7443 33 L 4.5995 8.3482 127.8089 53.7899 42.8993 175.2883 34 N 5.7474 9.4418 122.7998 49.9030 42.3448 174.5899 *37 S 4.2840 8.2769 118.9845 58.2075 64.1974 172.9584 38 G 4.1346 9.1236 111.9421 47.2112 0.0000 173.7254 39 S 4.4843 7.6520 111.0791 56.8635 65.2902 173.6233 40 H 4.2772 8.7667 121.6907 57.0813 29.8132 174.7473 41 F 4.9576 7.9173 119.0868 57.0866 39.8422 173.6828 42 C 4.6224 6.7771 114.8177 56.1602 44.8976 173.1286 43 G 4.4742 8.2611 108.2117 45.5986 0.0000 172.0407 44 G 4.2885 8.1186 105.5834 45.8032 0.0000 172.3807 45 S 5.2833 8.8181 113.8631 56.4003 66.1625 172.5149 46 L 4.9812 9.1713 130.2071 54.5368 42.4863 176.7465 47 I 4.6227 8.2399 119.1170 60.6243 38.7228 174.7810 48 N 4.9315 7.6992 118.4470 52.4634 41.7021 175.0281 49 S 4.2886 8.8611 117.5884 60.6781 63.3185 175.4347 50 Q 4.5730 10.0575 119.0177 55.0418 30.2033 174.6511 51 W 5.4995 8.2194 118.0933 54.7330 33.3002 174.4807 52 V 4.9610 9.1467 123.3323 61.0631 34.4899 174.3810 53 V 4.9373 8.9595 127.1007 60.5257 34.0189 174.8978 54 S 4.7695 9.2283 117.3018 57.7727 66.1207 171.9066 55 A 5.0005 8.5025 119.7959 50.5139 20.8315 178.3980 56 A 3.8422 8.2486 124.2705 55.1341 18.5254 179.0993 57 H 4.5389 8.1727 109.3450 57.1744 28.7125 175.3139 58 C 4.6404 7.7033 116.8582 56.9382 40.5755 173.2196 59 Y 4.2346 7.5035 121.3902 58.3015 38.7121 175.7993 60 K 4.1032 6.9800 124.1828 54.6304 36.1824 176.5351 61 S 4.0074 8.1980 116.9152 59.9551 63.4230 174.2169 62 R 4.5035 7.5523 120.7455 54.1730 31.7782 174.4883 63 I 4.7332 8.0247 124.8266 59.7627 42.0428 173.4793 64 Q 4.7696 9.2929 128.3701 54.2937 31.2912 174.2333 65 V 4.4118 9.0324 127.3478 62.0624 33.4424 174.6590 66 R 5.1091 8.9359 127.2794 54.7374 32.3327 175.1040 67 L 4.7543 8.8611 124.4358 52.6725 44.7936 177.6347 *69 G 3.6459 8.3455 108.1104 45.3872 0.0000 172.9960 70 E 4.4897 8.1787 118.2302 56.1168 30.5634 175.1367 71 H 5.0186 8.8581 119.0749 57.4340 33.5958 173.7482 72 N 4.7947 8.2662 125.4827 51.4666 37.9981 174.9054 73 I 3.6629 7.9781 116.0314 61.9271 37.4813 176.5540 74 D 4.7833 8.2675 119.9035 54.1945 41.4808 176.3611 75 V 4.3499 7.7159 119.4813 60.9790 34.5344 174.0695 76 L 4.1967 8.6856 127.6861 55.4079 41.7024 176.6198 77 E 4.3068 10.1208 124.5384 56.2569 30.5827 177.2836 78 G 4.0389 8.6530 105.6515 45.2806 0.0000 173.5792 79 N 4.8741 7.7719 114.3133 52.6758 40.0274 174.4534 80 E 5.1118 7.6991 117.5799 55.6637 31.0631 176.4778 81 Q 4.2834 8.5149 119.9079 54.4071 32.5043 174.3447 82 F 5.5079 8.6954 124.0324 56.3346 40.2207 175.6643 83 I 4.6670 8.8601 125.3271 59.3002 40.6644 175.3331 84 N 4.9843 8.7710 123.4913 52.8881 40.0463 174.1560 85 A 4.4768 8.7337 124.3453 52.2115 18.6241 177.4298 86 A 4.3654 9.1117 124.5289 53.4095 20.3120 177.9769 87 K 4.6917 7.6192 112.6395 54.7789 37.0396 175.8697 88 I 4.9891 8.4851 123.1455 59.7663 40.4153 174.9660 89 I 4.6049 9.4391 129.0914 59.6612 39.5750 175.1923 90 T 4.5792 8.4273 117.5834 60.5850 70.5735 174.2370 91 H 4.2227 8.5948 123.7782 55.8027 30.2044 174.4800 92 P 4.2393 0.0000 0.0000 65.6685 31.0627 176.5988 93 N 4.7576 8.2703 113.5151 52.5668 38.8127 174.6270 94 F 4.3609 8.2293 122.0465 58.6731 39.8498 173.8650 95 N 4.4147 8.3659 126.8698 51.2904 39.2659 175.3644 96 G 3.4704 7.9020 115.6651 47.9061 0.0000 173.4047 97 N 4.4128 8.4470 118.7791 56.1769 39.0861 176.0087 98 T 4.1463 7.8888 105.0925 61.2564 69.7343 175.2391 99 L 3.8410 8.4278 120.8814 55.2028 39.9047 173.8673 100 D 4.4215 7.5931 119.6856 55.3483 41.6319 175.8945 101 N 4.4270 8.7399 121.9665 54.7563 35.5861 175.3387 102 D 4.8122 8.1291 117.5696 53.3801 39.4621 174.3742 103 I 4.9064 7.4691 120.9532 59.2348 42.5659 173.0409 104 M 5.2125 9.3043 127.5178 54.1252 36.1671 173.2824 105 L 5.3849 9.2849 125.4808 53.1872 45.0060 175.4211 106 I 4.9486 9.2488 123.3989 59.4694 40.5822 174.2646 107 K 3.5662 8.5889 129.3487 54.6464 32.1412 175.7351 108 L 4.5902 8.4191 128.0410 54.2534 42.5640 178.2000 109 S 4.3354 8.6101 117.3126 60.5586 63.5337 174.5538 110 S 4.6294 7.4282 113.8992 55.6246 65.8492 172.0275 111 P 4.5487 0.0000 0.0000 63.0883 31.7758 175.6681 112 A 4.3681 9.0434 126.0540 51.7621 19.5931 177.1898 113 T 4.2340 8.7610 119.7421 62.8296 69.1907 174.7977 114 L 4.6441 8.5521 127.4427 54.1983 43.0320 176.2817 115 N 4.7026 8.6166 120.8465 52.4406 39.3787 175.6295 116 S 4.0107 8.7937 110.3571 61.2093 63.5028 175.3275 117 R 4.2098 9.1740 119.5671 56.4774 30.7278 175.9176 118 V 4.5322 7.7180 117.1531 60.9952 33.5555 173.6610 119 A 5.1967 8.4436 128.0075 50.4790 23.0927 174.8876 120 T 5.0292 8.5595 109.4668 61.0472 70.6368 174.3402 121 V 4.4481 8.1143 121.9292 59.8029 33.5994 175.9903 122 S 4.3121 8.4497 118.9391 58.3260 63.5309 174.2543 123 L 4.3092 8.0955 123.3719 53.1898 42.3909 175.2335 124 P 4.3555 0.0000 0.0000 63.1919 31.4099 176.8344 125 R 4.0271 8.4132 119.7103 57.6538 30.7216 176.3009 *127 S 4.2754 7.5526 110.5796 57.8649 63.9963 173.0441 128 C 4.3298 8.3047 117.8676 59.4332 28.5884 173.2752 129 A 4.4011 8.1519 123.9904 50.9957 19.6274 177.5920 130 A 4.0248 8.1910 123.8429 51.7891 19.3984 176.6233 *132 A 4.1050 8.2204 121.9081 53.4770 19.5369 177.6782 133 G 3.9708 8.8734 109.9931 45.2638 0.0000 173.9626 134 T 3.9021 7.2276 117.2483 63.3612 68.7331 173.8094 135 E 4.1575 8.6593 127.8127 56.1705 30.3743 175.2333 136 C 4.9131 8.3621 121.7886 57.8317 32.2958 172.8210 137 L 4.6633 8.4180 122.2657 53.4148 43.2207 175.3960 138 I 4.5473 8.2486 126.8504 59.5360 39.3122 175.0402 139 S 4.4573 8.7080 117.4440 55.8720 65.9833 173.2933 140 G 3.9196 7.1031 111.6770 45.7915 0.0000 172.0755 141 W 4.5544 8.3018 116.8783 56.1694 29.2954 177.0776 142 G 3.9246 7.8314 108.7392 44.4315 0.0000 173.0518 143 N 4.2458 8.7113 117.6019 54.5989 38.8611 174.5928 144 T 5.1305 8.3984 113.4974 61.0147 69.9967 174.7486 145 K 4.1864 8.9594 127.5190 56.7308 32.7189 175.7160 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 16 I 7.88 4.08 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.49 0.84 0.00 0.00 17 V 8.21 4.42 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 0.78 0.00 0.00 0.98 0.00 0.00 18 G 8.98 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.90 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 7.64 4.88 0.00 3.03 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 21 T 8.49 4.02 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 22 C 8.30 4.26 0.00 2.87 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 23 A 8.49 4.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.47 3.58 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 25 N 8.66 4.24 0.00 2.84 2.91 0.00 0.00 7.15 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 26 S 7.96 4.48 0.00 3.97 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 27 I 6.94 4.21 1.54 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.97 0.16 0.00 0.00 28 P 0.00 4.43 0.00 2.32 2.30 0.00 3.70 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 2.10 1.94 0.00 29 Y 6.87 5.13 0.00 3.24 3.41 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 30 Q 7.60 4.51 0.00 1.83 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 1.94 2.53 0.00 31 V 8.70 4.89 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 0.77 0.00 0.00 1.04 0.00 0.00 32 S 8.72 4.84 0.00 3.20 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.35 4.60 0.00 0.48 0.98 0.83 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.44 5.75 0.00 2.48 2.53 0.00 0.00 6.77 7.60 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 *37 S 8.28 4.28 0.00 3.88 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 9.12 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.65 4.48 0.00 3.95 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 40 H 8.77 4.28 0.00 2.85 3.17 0.00 5.86 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 41 F 7.92 4.96 0.00 2.99 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 42 C 6.78 4.62 0.00 2.21 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.26 4.47 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 0.00 44 G 8.12 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.82 5.28 0.00 3.93 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.17 4.98 0.00 1.91 1.66 1.09 0.90 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 47 I 8.24 4.62 1.88 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 1.23 1.12 0.92 0.00 0.00 48 N 7.70 4.93 0.00 2.80 2.87 0.00 0.00 6.91 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 49 S 8.86 4.29 0.00 4.22 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 50 Q 10.06 4.57 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 51 W 8.22 5.50 0.00 3.21 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 52 V 9.15 4.96 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 0.98 0.00 0.00 0.99 0.00 0.00 53 V 8.96 4.94 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 0.73 0.00 0.00 1.03 0.00 0.00 54 S 9.23 4.77 0.00 3.82 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 55 A 8.50 5.00 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 56 A 8.25 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.17 4.54 0.00 3.42 3.59 0.00 5.55 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.70 4.64 0.00 3.24 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 59 Y 7.50 4.23 0.00 3.02 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 6.98 4.10 0.00 1.31 1.20 0.00 0.61 0.00 0.00 1.11 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.91 1.03 7.81 61 S 8.20 4.01 0.00 3.96 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 62 R 7.55 4.50 0.00 1.66 1.72 0.00 3.19 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.00 63 I 8.02 4.73 1.89 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 1.31 0.61 1.02 0.00 0.00 64 Q 9.29 4.77 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 65 V 9.03 4.41 2.20 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 0.97 0.00 0.00 0.91 0.00 0.00 66 R 8.94 5.11 0.00 1.64 1.73 0.00 2.64 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.23 0.00 67 L 8.86 4.75 0.00 1.70 1.64 1.04 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 *69 G 8.35 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 0.00 0.00 0.00 70 E 8.18 4.49 0.00 2.09 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 2.37 2.05 0.00 71 H 8.86 5.02 0.00 3.09 3.70 0.00 5.89 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 72 N 8.27 4.79 0.00 2.73 2.73 0.00 0.00 7.09 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.98 3.66 1.42 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.45 -0.39 0.00 0.00 74 D 8.27 4.78 0.00 2.79 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 75 V 7.72 4.35 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 0.75 0.00 0.00 0.94 0.00 0.00 76 L 8.69 4.20 0.00 1.67 1.58 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 77 E 10.12 4.31 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 2.30 2.52 0.00 78 G 8.65 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 0.00 0.00 0.00 79 N 7.77 4.87 0.00 2.69 2.82 0.00 0.00 7.06 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 80 E 7.70 5.11 0.00 1.39 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 2.64 2.46 0.00 81 Q 8.51 4.28 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 82 F 8.70 5.51 0.00 2.86 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 83 I 8.86 4.67 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 1.25 0.91 0.93 0.00 0.00 84 N 8.77 4.98 0.00 2.66 2.70 0.00 0.00 7.05 7.47 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 85 A 8.73 4.48 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 86 A 9.11 4.37 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 87 K 7.62 4.69 0.00 1.52 1.67 0.00 1.61 0.00 0.00 1.89 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.39 7.81 88 I 8.49 4.99 2.08 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.64 1.19 0.00 0.00 89 I 9.44 4.60 2.04 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 1.50 1.17 0.96 0.00 0.00 90 T 8.43 4.58 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 1.09 0.00 0.00 91 H 8.59 4.22 0.00 3.45 3.41 0.00 5.60 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.24 0.00 2.21 2.17 0.00 3.40 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 93 N 8.27 4.76 0.00 2.86 2.99 0.00 0.00 6.83 7.45 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 94 F 8.23 4.36 0.00 3.09 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.37 4.41 0.00 2.58 2.47 0.00 0.00 6.69 7.82 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 96 G 7.90 3.47 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 0.00 97 N 8.45 4.41 0.00 2.60 2.97 0.00 0.00 7.13 8.55 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 98 T 7.89 4.15 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 1.17 0.00 0.00 99 L 8.43 3.84 0.00 1.82 1.94 1.14 1.20 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 0.00 100 D 7.59 4.42 0.00 2.69 2.50 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 0.00 101 N 8.74 4.43 0.00 3.01 2.81 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 0.00 102 D 8.13 4.81 0.00 3.13 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 0.00 103 I 7.47 4.91 1.88 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 1.24 1.54 1.01 0.00 0.00 104 M 9.30 5.21 0.00 2.11 1.79 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 105 L 9.28 5.38 0.00 1.78 1.95 0.69 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.25 4.95 1.92 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 1.20 1.16 0.87 0.00 0.00 107 K 8.59 3.57 0.00 0.79 1.03 0.00 1.35 0.00 0.00 1.38 0.00 0.00 2.71 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.72 0.21 7.81 108 L 8.42 4.59 0.00 1.55 1.54 0.91 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 0.00 109 S 8.61 4.34 0.00 3.85 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 0.00 110 S 7.43 4.63 0.00 4.03 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 0.00 111 P 0.00 4.55 0.00 1.96 2.05 0.00 3.66 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 2.10 0.00 112 A 9.04 4.37 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 0.00 113 T 8.76 4.23 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 0.00 114 L 8.55 4.64 0.00 1.66 1.62 0.96 1.12 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 0.00 115 N 8.62 4.70 0.00 2.91 2.84 0.00 0.00 6.46 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 0.00 116 S 8.79 4.01 0.00 4.00 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 0.00 117 R 9.17 4.21 0.00 1.99 2.01 0.00 3.11 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 118 V 7.72 4.53 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 1.02 0.00 0.00 0.98 0.00 0.00 119 A 8.44 5.20 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 0.00 120 T 8.56 5.03 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 121 V 8.11 4.45 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 0.64 0.00 0.00 0.42 0.00 0.00 122 S 8.45 4.31 0.00 3.84 3.80 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 0.00 123 L 8.10 4.31 0.00 1.61 1.56 0.88 1.01 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 0.00 124 P 0.00 4.36 0.00 2.29 2.03 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 125 R 8.41 4.03 0.00 1.88 1.99 0.00 3.14 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 *127 S 7.55 4.28 0.00 3.99 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 0.00 128 C 8.30 4.33 0.00 2.98 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.15 4.40 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.19 4.02 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 *132 A 8.22 4.11 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 0.00 133 G 8.87 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 T 7.23 3.90 4.27 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 1.21 0.00 0.00 135 E 8.66 4.16 0.00 1.93 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 0.00 2.31 2.35 0.00 136 C 8.36 4.91 0.00 2.95 2.78 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 0.00 137 L 8.42 4.66 0.00 1.60 1.60 0.94 1.03 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 0.00 138 I 8.25 4.55 1.84 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 1.47 0.75 0.89 0.00 0.00 139 S 8.71 4.46 0.00 3.58 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.10 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 0.00 141 W 8.30 4.55 0.00 3.08 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 0.00 142 G 7.83 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 0.00 143 N 8.71 4.25 0.00 2.72 2.79 0.00 0.00 6.82 7.70 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 0.00 144 T 8.40 5.13 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 1.26 0.00 0.00 145 K 8.96 4.19 0.00 1.68 1.70 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.49 7.81 * Residues marked with a * may have inaccurate shift predictions.