NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.3460 8.3149 120.1431 55.5760 33.4816 175.4974 5 P 4.3242 0.0000 0.0000 61.6942 32.1587 175.7833 6 A 4.3517 8.3843 121.9998 53.8578 19.1295 179.7467 7 S 4.1258 7.9629 112.3262 61.5764 63.1186 176.0734 8 M 3.9741 7.5494 120.8691 57.1201 31.7248 176.4456 9 Y 4.8342 7.4134 112.9571 57.0462 40.5634 176.5400 10 R 4.3025 8.4656 117.0540 58.1678 29.6783 176.7784 11 D 4.8655 7.8197 116.6668 53.2535 42.0057 176.3492 12 I 4.2843 8.0663 123.1165 60.2000 36.4416 175.1674 13 D 4.7624 8.3869 122.7689 52.0533 40.8722 175.8887 14 K 4.4852 7.7393 118.3694 53.8431 34.2129 173.7486 15 P 4.4600 0.0000 0.0000 61.7868 32.0151 176.1657 16 A 4.3043 8.4478 122.7061 52.6661 18.3940 177.1597 17 Y 4.8604 9.7697 125.9858 55.7812 38.5775 175.2814 18 T 4.5999 7.9228 112.7387 61.2237 71.2717 174.9209 19 R 4.0960 7.8294 121.3478 56.3828 28.2028 177.0378 20 R 4.0052 8.2189 122.0592 57.9721 30.3931 178.2383 21 E 3.9231 7.7665 114.3097 57.1519 30.0242 176.4351 22 Y 4.7796 7.6906 115.3800 57.4029 40.1881 175.3560 23 I 4.5342 7.1263 120.8860 59.4131 39.0735 174.9965 24 T 4.6260 8.2067 114.3618 60.7148 71.5168 173.0542 25 G 3.8080 8.6089 107.6724 46.8172 0.0000 173.7683 26 I 4.1117 7.7834 120.5624 59.2050 37.8789 174.6211 27 P 4.3888 0.0000 0.0000 62.1417 31.8549 176.7230 28 G 3.7819 8.3532 110.5924 45.1752 0.0000 173.1916 29 S 4.3075 8.3811 115.6205 57.7815 62.8298 174.6871 30 K 4.0375 8.2631 126.4311 57.9919 32.1393 177.0632 31 I 4.4929 7.4265 119.5011 60.3560 36.8957 175.8603 32 A 4.1321 8.8871 129.1222 54.6646 18.6350 177.0522 33 Q 4.8134 7.7206 111.9690 54.5358 32.7635 174.7962 34 H 4.6669 8.7946 115.4998 56.1634 32.2026 173.9402 35 K 4.9063 8.1460 117.4411 55.1341 33.2149 176.0285 36 M 4.7491 9.0155 124.3866 53.1910 36.2438 178.0547 37 G 3.2615 8.7351 109.3825 46.4456 0.0000 177.7142 38 R 4.3511 8.5880 122.5275 54.0252 28.6020 176.5332 39 K 4.2377 8.0960 120.4565 58.5025 33.3290 179.0963 40 Q 4.1029 7.9275 118.2310 57.8614 29.1277 176.1986 41 K 4.2871 7.3134 116.8957 55.4391 33.2601 175.9258 42 D 4.6397 8.3619 122.8391 53.4364 42.1206 177.5859 43 A 3.7286 8.1956 123.2196 54.8324 18.5138 178.9478 44 D 4.6387 7.8607 113.0173 55.1703 41.1486 176.5940 45 D 4.5395 7.5804 117.2737 54.6944 41.2379 175.7156 46 Y 4.7998 7.1850 116.9220 55.4810 40.2775 174.2684 47 P 4.4188 0.0000 0.0000 65.1970 32.0475 176.8659 48 V 4.6235 7.6438 118.0883 60.8737 33.5230 174.8621 49 Q 4.4663 8.6376 127.4370 54.6378 32.0956 173.2618 50 I 4.9812 8.3064 127.4322 59.5980 40.2239 175.2062 51 S 5.2261 8.9881 122.0657 56.6766 66.7075 173.1821 52 L 4.6092 8.5924 125.4760 53.7947 43.0577 175.1283 53 I 4.6500 8.5976 129.1813 59.9498 38.9676 175.5218 54 V 3.9735 8.5207 128.4277 62.7255 31.6803 176.6398 55 E 4.2143 8.8724 128.6933 58.3664 29.9884 177.0841 56 E 4.7884 7.9275 116.9996 54.3587 32.7079 176.2101 57 T 4.3093 8.4037 119.6446 63.8989 69.2529 174.2205 58 V 4.6916 8.9071 119.0971 60.3664 37.2257 173.5048 59 Q 4.9051 8.9268 119.6449 54.5663 31.6404 175.0582 60 L 4.7298 8.6125 125.3002 52.7684 43.6655 177.1939 61 R 4.4295 8.5797 123.3025 55.9004 31.0510 177.4242 62 H 4.2387 8.6543 117.1752 58.8436 28.3480 178.1491 63 G 3.6593 8.2625 107.9896 47.2870 0.0000 175.5388 64 S 4.2631 7.9167 114.8713 60.9192 62.6607 176.0621 65 L 4.0997 8.2513 122.2658 57.7100 41.4717 179.0466 66 E 3.9748 8.3455 119.1588 59.0309 29.5459 178.6969 67 A 4.0257 7.9663 120.8160 55.1447 18.3716 179.6926 68 S 4.2253 8.1730 112.3775 60.9231 63.1824 176.7444 69 R 3.8286 7.9367 122.5380 59.0022 29.8917 178.0155 70 L 3.9370 8.2759 120.7714 58.2686 42.0211 179.0547 71 S 4.2026 7.8998 111.6338 60.2367 62.7564 175.6943 72 A 4.2330 7.2465 124.6610 54.9467 18.8628 179.0065 73 N 4.2953 8.2532 115.7477 56.5905 38.8389 177.0815 74 R 3.9223 8.4109 120.6308 59.2634 30.0072 177.9211 75 H 4.1689 7.8168 117.1978 58.9054 29.8611 177.1578 76 L 3.6282 7.4706 120.3078 57.3197 41.5235 179.1686 77 I 4.0889 7.6960 121.2088 63.0284 36.7535 178.3130 78 K 3.9905 7.2679 120.0460 59.3625 32.2696 178.3351 79 E 4.0156 7.9561 117.3299 57.7544 29.6264 177.3607 80 L 4.3894 7.9686 116.0975 53.8931 43.0291 177.1023 81 G 4.0566 7.5732 103.6996 44.8165 0.0000 174.6178 82 E 4.1217 8.5402 118.1156 58.4716 29.5909 177.8250 83 E 4.6954 7.9056 117.7615 55.5579 30.4473 176.2946 84 G 3.9560 8.2373 106.9169 45.8708 0.0000 174.6225 85 D 4.8067 8.4245 120.8437 52.4473 39.7186 174.1758 86 Y 4.9071 7.2345 120.3435 55.4747 42.7663 175.5950 87 K 4.6924 8.5422 119.2624 56.6191 35.3917 174.4792 88 M 5.1706 8.8369 125.2786 54.2924 35.1369 174.5904 89 T 5.1480 8.9775 120.0454 61.8814 73.0911 172.5966 90 L 4.8896 8.7664 129.1659 53.5915 42.4574 176.1809 91 R 4.4023 8.3770 123.2891 56.8106 30.3320 176.6238 92 K 4.6078 7.6702 119.7010 54.8528 33.7885 175.4950 93 F 4.7464 8.5992 121.5859 54.8498 41.4332 174.6812 94 P 4.6206 0.0000 0.0000 63.0848 29.3899 175.1956 95 H 4.4693 8.3439 123.5925 58.4533 29.8571 175.7302 96 Q 4.3179 7.9863 121.6862 55.9211 29.6916 175.5515 97 V 4.3255 8.8458 128.3622 62.5774 32.4598 175.0756 98 L 4.8331 9.1536 127.9335 53.2225 43.9845 175.8305 99 R 5.2050 8.5235 120.6926 54.6829 33.8494 174.8521 100 E 4.5228 8.7868 120.6378 55.2618 33.4027 174.3345 101 N 5.2012 8.8603 126.7903 52.0710 37.5706 173.5766 102 K 4.3022 7.7151 121.4176 53.9704 32.3173 174.5115 *114 D 4.4900 8.0297 123.9346 54.7702 44.0549 172.2461 115 G 4.1247 9.0289 111.2729 46.5694 0.0000 172.8039 116 M 4.4440 9.2795 119.5801 54.7268 33.1934 175.6666 117 R 3.9595 7.8717 119.9776 57.0539 31.1915 175.9558 118 A 3.7673 8.7254 127.5059 53.3023 15.9620 177.5018 119 A 4.0734 7.9135 122.8726 54.3962 19.1749 178.2819 120 F 3.9473 8.3598 118.3840 58.3626 39.4747 175.0043 121 G 3.9152 7.9978 115.4277 46.0765 0.0000 172.2235 122 K 4.7404 8.5465 119.3981 55.2062 35.2072 176.1125 123 I 4.3770 8.3855 122.9616 62.0056 36.8124 175.9155 124 V 4.1326 8.4547 121.2806 62.6258 33.8206 175.9605 125 G 4.0607 7.0805 104.7260 46.1881 0.0000 172.3001 126 T 5.3369 7.7301 108.0986 59.9988 72.7816 172.7921 127 A 5.0771 9.3696 123.5604 50.3407 23.4928 174.6814 128 A 4.8479 8.9524 122.2632 50.3267 21.0333 176.6476 129 R 4.5662 8.6606 122.7337 56.0011 31.0419 176.3360 130 V 4.5020 8.7640 124.6694 61.0815 34.3076 175.3785 131 Q 4.7368 9.5149 127.2218 54.8577 30.4647 175.4209 132 A 4.2241 8.2350 123.9337 53.5138 18.7985 178.5571 133 G 4.0157 9.0533 110.5223 45.3499 0.0000 174.0793 134 E 4.2242 7.4966 118.1696 56.3207 30.9695 176.0958 135 Q 4.6051 8.4604 121.8935 55.4624 29.1733 175.4388 136 L 4.0270 9.0051 127.5706 57.2747 43.3166 176.3056 137 F 5.2809 7.8171 116.4923 55.9508 42.8293 174.5911 138 T 5.0696 9.1267 117.9127 62.2475 72.5259 172.9388 139 A 5.2232 9.3506 128.7944 50.4170 22.6920 175.0124 140 Y 4.9878 8.5589 116.7575 56.5243 41.6922 174.5876 141 C 5.0881 8.7527 118.8329 56.8584 33.9566 172.7950 142 N 5.0733 8.6449 115.8819 51.9696 40.0250 177.0049 143 V 3.7080 8.4622 119.4747 66.2143 31.7965 177.1288 144 E 4.1134 8.2175 118.2615 59.0773 29.7732 177.0174 145 D 4.8103 7.8615 115.9209 54.3807 41.2488 178.2674 146 A 4.1059 7.8544 124.6026 54.7526 18.1196 179.6842 147 E 4.1389 7.9540 115.5260 58.3074 29.4424 178.2207 148 H 4.3003 7.8786 116.5800 58.1229 28.9335 177.4814 149 V 3.4102 7.2798 119.3135 63.9241 31.0657 178.5258 150 K 3.9050 7.4593 118.3820 58.6950 31.5772 178.4316 151 E 4.0301 7.5981 118.9727 58.1845 29.5992 178.2282 152 A 3.8496 7.3353 120.5862 54.7976 18.4222 179.3166 153 F 4.5597 7.7191 116.1249 59.9827 38.8868 178.0453 154 R 2.7122 7.1463 116.5378 58.4575 29.6091 178.0641 155 R 4.0136 7.4311 117.3200 58.3200 30.1497 178.6255 156 A 3.8230 7.6007 120.6874 55.0433 18.1868 179.1091 157 Y 4.2819 7.7375 114.9952 59.7766 38.2054 177.6028 158 N 4.7277 7.7661 117.5033 55.1699 38.7279 175.7464 159 K 4.5019 7.5703 118.4030 55.7972 32.3914 175.8272 160 I 4.8458 7.1870 110.9466 57.7632 40.7267 175.7417 161 T 3.9449 8.6861 118.0939 66.1389 68.3355 173.3511 162 P 4.7218 0.0000 0.0000 61.6160 33.3542 175.6443 163 S 4.3303 8.3406 115.4983 58.7414 64.0999 173.2403 164 C 5.2929 7.9526 118.3678 58.2028 32.6196 173.3340 165 R 4.5656 8.8852 119.1210 54.7845 32.7467 175.6697 166 I 4.5734 8.5357 125.0860 59.8502 37.0753 173.2455 167 K 4.3518 8.5455 127.9431 54.9839 33.8685 175.1880 168 V 4.2403 8.4005 128.1322 62.4325 31.3846 174.9620 169 E 4.1142 9.1691 130.2641 58.4738 30.1138 177.2976 170 R 4.5715 7.3708 118.9785 52.5453 30.1516 174.1444 171 G 4.2001 7.7774 101.0719 45.4848 0.0000 170.4860 172 E 4.6111 8.7771 127.7151 56.1588 30.4141 177.8586 173 E 4.4467 7.7458 119.1766 53.5338 28.2566 176.1373 174 L 4.0327 7.5218 123.3144 55.5808 41.9844 174.0677 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 K 8.31 4.35 0.00 1.89 1.96 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.53 7.81 5 P 0.00 4.32 0.00 2.26 1.97 0.00 3.60 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 2.15 0.00 6 A 8.38 4.35 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 7 S 7.96 4.13 0.00 4.00 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 8 M 7.55 3.97 0.00 1.22 1.80 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.38 0.00 9 Y 7.41 4.83 0.00 2.92 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 10 R 8.47 4.30 0.00 1.98 2.29 0.00 3.03 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 11 D 7.82 4.87 0.00 2.86 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.07 4.28 1.88 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 1.49 0.54 0.93 0.00 0.00 13 D 8.39 4.76 0.00 2.68 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 14 K 7.74 4.49 0.00 1.76 1.73 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.41 7.81 15 P 0.00 4.46 0.00 2.11 2.05 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 16 A 8.45 4.30 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 9.77 4.86 0.00 2.94 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 18 T 7.92 4.60 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 1.27 0.00 0.00 19 R 7.83 4.10 0.00 2.04 2.16 0.00 3.32 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 20 R 8.22 4.01 0.00 1.80 1.91 0.00 3.09 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 21 E 7.77 3.92 0.00 1.64 1.79 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 1.47 1.53 0.00 22 Y 7.69 4.78 0.00 3.07 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 23 I 7.13 4.53 1.73 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.55 0.88 0.00 0.00 24 T 8.21 4.63 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 1.22 0.00 0.00 25 G 8.61 3.81 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 0.00 0.00 0.00 26 I 7.78 4.11 1.87 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 1.41 0.60 0.91 0.00 0.00 27 P 0.00 4.39 0.00 2.07 2.01 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 28 G 8.35 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 29 S 8.38 4.31 0.00 3.90 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 30 K 8.26 4.04 0.00 1.61 1.76 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.12 7.81 31 I 7.43 4.49 1.83 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 1.11 1.42 0.70 0.00 0.00 32 A 8.89 4.13 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 33 Q 7.72 4.81 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 34 H 8.79 4.67 0.00 3.12 3.26 0.00 5.79 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.15 4.91 0.00 1.67 1.79 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.46 7.81 36 M 9.02 4.75 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 37 G 8.74 3.26 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 0.00 38 R 8.59 4.35 0.00 1.87 1.89 0.00 3.19 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 39 K 8.10 4.24 0.00 1.87 1.94 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.46 7.81 40 Q 7.93 4.10 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 41 K 7.31 4.29 0.00 1.78 1.90 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.47 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.32 1.33 7.81 42 D 8.36 4.64 0.00 2.91 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.20 3.73 0.50 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 44 D 7.86 4.64 0.00 2.66 2.72 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 45 D 7.58 4.54 0.00 2.55 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 46 Y 7.18 4.80 0.00 3.22 3.14 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 0.00 0.00 0.00 47 P 0.00 4.42 0.00 2.12 2.16 0.00 4.00 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 48 V 7.64 4.62 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.98 0.00 0.00 49 Q 8.64 4.47 0.00 2.27 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.63 0.00 0.00 0.00 0.00 0.00 2.21 1.95 0.00 50 I 8.31 4.98 1.84 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 1.23 0.48 1.03 0.00 0.00 51 S 8.99 5.23 0.00 3.77 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 52 L 8.59 4.61 0.00 0.42 1.20 1.04 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.60 4.65 1.98 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 1.10 0.57 0.90 0.00 0.00 54 V 8.52 3.97 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 0.96 0.00 0.00 0.89 0.00 0.00 55 E 8.87 4.21 0.00 2.03 1.96 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 2.31 2.24 0.00 56 E 7.93 4.79 0.00 1.79 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 2.18 2.27 0.00 57 T 8.40 4.31 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 58 V 8.91 4.69 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 0.72 0.00 0.00 0.96 0.00 0.00 59 Q 8.93 4.91 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 60 L 8.61 4.73 0.00 1.56 1.57 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.58 4.43 0.00 1.87 1.77 0.00 2.86 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 62 H 8.65 4.24 0.00 3.39 3.54 0.00 5.45 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 63 G 8.26 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 64 S 7.92 4.26 0.00 3.93 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 65 L 8.25 4.10 0.00 2.00 1.66 0.81 1.02 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 66 E 8.35 3.97 0.00 2.13 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 2.40 2.36 0.00 67 A 7.97 4.03 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 68 S 8.17 4.23 0.00 4.39 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 69 R 7.94 3.83 0.00 2.40 2.18 0.00 3.27 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.91 0.00 70 L 8.28 3.94 0.00 1.97 1.64 0.99 0.77 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 71 S 7.90 4.20 0.00 4.04 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 72 A 7.25 4.23 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 73 N 8.25 4.30 0.00 2.90 2.84 0.00 0.00 6.93 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 74 R 8.41 3.92 0.00 2.08 1.88 0.00 3.12 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 75 H 7.82 4.17 0.00 3.23 3.31 0.00 5.83 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.47 3.63 0.00 1.32 0.44 0.49 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.70 4.09 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 2.02 0.92 0.00 0.00 78 K 7.27 3.99 0.00 1.78 1.84 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.42 7.81 79 E 7.96 4.02 0.00 1.60 1.44 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 2.04 2.18 0.00 80 L 7.97 4.39 0.00 1.64 1.69 0.83 0.86 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 81 G 7.57 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 82 E 8.54 4.12 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 2.33 2.34 0.00 83 E 7.91 4.70 0.00 1.93 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 2.19 2.27 0.00 84 G 8.24 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 0.00 0.00 0.00 85 D 8.42 4.81 0.00 2.74 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 86 Y 7.23 4.91 0.00 2.96 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 87 K 8.54 4.69 0.00 1.92 1.93 0.00 1.82 0.00 0.00 1.88 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.14 1.30 7.81 88 M 8.84 5.17 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.79 0.00 89 T 8.98 5.15 4.44 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 1.34 0.00 0.00 90 L 8.77 4.89 0.00 1.68 1.47 0.15 0.53 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 91 R 8.38 4.40 0.00 1.88 2.10 0.00 3.14 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 92 K 7.67 4.61 0.00 1.59 1.71 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.30 7.81 93 F 8.60 4.75 0.00 2.85 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 94 P 0.00 4.62 0.00 2.17 2.09 0.00 3.82 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 2.03 2.01 0.00 95 H 8.34 4.47 0.00 3.21 3.38 0.00 5.70 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 96 Q 7.99 4.32 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 97 V 8.85 4.33 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 0.86 0.00 0.00 0.91 0.00 0.00 98 L 9.15 4.83 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0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 118 A 8.73 3.77 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 0.00 119 A 7.91 4.07 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 0.00 120 F 8.36 3.95 0.00 2.96 3.03 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 0.00 0.00 0.00 121 G 8.00 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 0.00 122 K 8.55 4.74 0.00 1.90 1.98 0.00 1.34 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.43 7.81 123 I 8.39 4.38 1.94 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.59 1.00 0.00 0.00 124 V 8.45 4.13 2.06 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 0.73 0.00 0.00 0.85 0.00 0.00 125 G 7.08 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 0.00 126 T 7.73 5.34 4.35 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 1.19 0.00 0.00 127 A 9.37 5.08 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 0.00 128 A 8.95 4.85 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 0.00 129 R 8.66 4.57 0.00 1.74 1.92 0.00 3.19 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 130 V 8.76 4.50 2.06 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 1.03 0.00 0.00 0.92 0.00 0.00 131 Q 9.51 4.74 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 132 A 8.24 4.22 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 0.00 133 G 9.05 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 0.00 134 E 7.50 4.22 0.00 2.11 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 2.33 2.29 0.00 135 Q 8.46 4.61 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.03 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 136 L 9.01 4.03 0.00 1.61 1.46 0.67 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 137 F 7.82 5.28 0.00 2.50 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 0.00 138 T 9.13 5.07 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 0.87 0.00 0.00 139 A 9.35 5.22 1.12 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 0.00 140 Y 8.56 4.99 0.00 2.63 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 0.00 141 C 8.75 5.09 0.00 2.96 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 0.00 142 N 8.64 5.07 0.00 2.76 2.86 0.00 0.00 6.47 7.68 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 0.00 143 V 8.46 3.71 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 0.81 0.00 0.00 0.97 0.00 0.00 144 E 8.22 4.11 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 2.32 2.35 0.00 145 D 7.86 4.81 0.00 2.77 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 0.00 146 A 7.85 4.11 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 0.00 147 E 7.95 4.14 0.00 1.85 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 148 H 7.88 4.30 0.00 3.21 3.16 0.00 5.61 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 0.00 149 V 7.28 3.41 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 0.79 0.00 0.00 0.31 0.00 0.00 150 K 7.46 3.91 0.00 1.87 1.85 0.00 1.91 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.57 7.81 151 E 7.60 4.03 0.00 1.85 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 2.20 2.07 0.00 152 A 7.34 3.85 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 0.00 153 F 7.72 4.56 0.00 2.90 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 0.00 154 R 7.15 2.71 0.00 1.82 1.83 0.00 3.20 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.55 0.00 155 R 7.43 4.01 0.00 1.88 1.83 0.00 2.91 0.00 0.00 3.04 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 156 A 7.60 3.82 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 0.00 157 Y 7.74 4.28 0.00 2.98 3.10 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 0.00 0.00 0.00 0.00 158 N 7.77 4.73 0.00 2.85 2.98 0.00 0.00 6.93 7.49 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 0.00 159 K 7.57 4.50 0.00 1.73 1.86 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.37 7.81 160 I 7.19 4.85 1.91 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 1.71 1.25 0.97 0.00 0.00 161 T 8.69 3.94 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 162 P 0.00 4.72 0.00 2.04 2.04 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 163 S 8.34 4.33 0.00 3.71 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 0.00 164 C 7.95 5.29 0.00 2.73 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 0.00 165 R 8.89 4.57 0.00 1.71 1.81 0.00 3.09 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 1.52 1.64 0.00 166 I 8.54 4.57 2.00 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 1.48 0.79 1.13 0.00 0.00 167 K 8.55 4.35 0.00 1.82 1.70 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.40 7.81 168 V 8.40 4.24 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 0.87 0.00 0.00 0.95 0.00 0.00 169 E 9.17 4.11 0.00 2.02 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 0.00 2.42 2.37 0.00 170 R 7.37 4.57 0.00 1.85 1.88 0.00 3.51 0.00 0.00 3.45 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 171 G 7.78 4.20 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 0.00 172 E 8.78 4.61 0.00 1.98 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 2.26 2.33 0.00 173 E 7.75 4.45 0.00 1.94 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 2.26 2.35 0.00 174 L 7.52 4.03 0.00 1.52 1.46 0.92 0.95 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 * Residues marked with a * may have inaccurate shift predictions.