NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.1315 8.3716 117.5235 52.9282 40.7713 174.5449 2 D 4.7461 7.7229 116.2012 53.2842 41.8894 173.4169 3 D 4.7968 8.9404 117.9677 53.8813 42.6167 174.9261 4 K 4.7679 8.4197 118.3372 54.6866 35.8059 175.2527 5 L 4.9653 8.4943 120.9245 53.2227 46.2224 175.3232 6 Y 5.2213 8.9022 117.0211 56.5180 42.1175 174.5260 7 R 5.0875 9.3430 124.5881 54.1820 32.9555 174.3267 8 A 4.9051 8.8835 129.1352 52.2546 19.3250 175.9494 9 D 4.8949 9.4807 121.7281 53.1543 44.7720 176.3949 10 S 4.4077 8.9503 119.5388 60.1246 63.7759 174.5796 11 R 4.1618 8.4381 122.0906 55.0870 30.5010 175.3608 12 P 3.7278 0.0000 0.0000 61.5287 33.5772 175.5499 13 P 3.8493 0.0000 0.0000 65.5858 30.9204 179.3530 14 D 4.2423 7.6499 119.4343 57.8682 39.7169 181.1290 15 E 4.0113 7.8371 119.2469 59.4260 29.7676 178.5974 16 I 3.5397 7.5872 119.8750 64.3033 37.1977 178.2147 17 K 2.8162 8.0044 120.4941 59.2948 31.6805 178.6321 18 Q 3.8759 7.6485 118.5964 59.0205 29.0704 177.6593 19 S 4.3602 7.9756 114.3070 59.0301 63.3254 175.1305 20 G 3.7979 7.1669 110.7915 45.0212 0.0000 172.9472 21 G 4.0238 7.0327 105.4387 43.8756 0.0000 173.9566 22 L 4.3149 8.4864 121.9984 53.6849 40.9508 175.8098 23 M 4.7306 8.1139 123.3178 52.9101 33.8871 174.9718 24 P 4.5516 0.0000 0.0000 62.1694 32.6080 177.2160 25 R 4.0500 8.7832 119.3700 59.7612 29.8370 178.7096 26 G 3.9134 8.5137 104.8672 46.4058 0.0000 175.6243 27 Q 3.8942 8.1678 122.7133 59.3402 29.2121 178.1918 28 S 4.3672 8.1369 114.8833 61.4436 63.0037 175.8236 29 E 3.9660 7.9427 121.5834 59.0721 29.3253 178.1533 30 Y 4.1052 8.0336 120.8791 60.3418 38.6904 178.1307 31 F 4.3008 7.7963 117.1853 60.6668 39.0576 177.1380 32 D 4.6547 8.6225 118.4099 56.4357 40.5210 177.5781 33 R 4.4458 8.3008 112.4198 55.4716 30.9159 176.5283 34 G 3.4914 8.3048 106.9537 45.6268 0.0000 174.4068 35 T 4.0000 7.1660 117.6151 63.3883 68.9422 174.0545 36 Q 4.2838 8.5242 125.3339 55.7386 29.5546 176.1074 37 M 4.2692 8.3077 121.2617 55.3410 32.9080 175.4417 38 N 4.7377 9.3992 121.9549 52.6012 39.5629 175.3213 39 I 4.1258 8.1557 119.0058 60.5935 38.2323 175.8036 40 N 4.6468 8.8111 120.2995 53.6254 38.5887 175.0240 41 L 3.4168 8.7342 129.2053 58.1808 42.0114 178.1947 42 Y 3.8312 8.1858 119.6903 60.8204 38.6158 178.0183 43 D 4.2210 8.0425 119.2523 57.3938 40.7676 177.9438 44 H 4.1175 7.9461 117.6570 59.2526 29.9368 176.9030 45 A 3.9539 7.7376 121.5541 55.0925 18.3049 179.5196 46 R 3.8337 7.7671 113.8255 58.6862 30.1620 178.6339 47 G 3.6401 8.1227 107.8171 46.0098 0.0000 172.7505 48 T 4.2215 8.9610 119.6504 61.6184 68.5049 176.8776 *49 Q 4.0512 8.9852 125.0195 59.3482 27.7524 179.3602 50 T 4.0075 7.8683 107.5807 61.5574 68.4448 177.0253 51 G 3.7242 8.7219 109.4293 46.4755 0.0000 173.7348 52 F 4.5407 7.4808 118.9145 55.4599 40.7136 174.8356 53 V 4.0585 8.2271 121.5760 62.7767 32.1302 175.8705 54 R 4.1571 8.4404 125.9670 56.2189 30.7967 177.5466 55 H 4.3694 8.7541 118.7507 58.3668 29.1780 176.5691 56 D 4.8661 7.9608 117.3973 52.7917 39.6841 174.8780 57 D 4.6330 8.0350 120.7607 55.5307 41.8318 176.9936 58 G 3.7753 9.1295 112.7105 47.2302 0.0000 172.4099 59 Y 5.2829 8.4751 117.8809 56.0632 41.2055 175.4059 60 V 4.4466 8.4647 121.5512 61.1681 33.8894 175.1244 61 S 5.0624 9.1698 124.5389 58.3352 63.7327 173.6438 62 T 4.8856 8.9834 112.6872 60.3685 72.4674 172.8891 63 S 5.2691 9.7003 119.5166 57.1104 65.4637 175.2879 64 I 4.3566 8.5167 114.0193 61.8698 38.3954 176.0373 65 S 4.4812 7.5553 115.6336 55.5392 67.2094 174.3900 66 L 3.4132 7.3599 123.5278 58.1149 41.8193 178.9059 67 R 3.8263 7.7547 118.0501 59.7236 29.9787 178.4917 68 S 4.1063 8.0788 114.5341 61.5499 62.7570 176.5192 69 A 4.2006 8.1095 124.8491 54.8952 18.0232 179.1756 70 H 4.2928 8.5453 117.0196 59.2995 29.6466 177.3024 71 L 3.9037 7.9057 122.3301 57.9179 41.9257 179.0512 72 V 3.6998 7.9626 118.3861 66.0220 31.5858 178.1404 73 G 3.4534 8.2374 106.9418 47.1555 0.0000 174.8576 74 Q 4.4170 8.3563 118.3651 56.7432 28.6083 176.9346 75 T 4.2302 7.1359 115.1877 65.5169 70.2107 176.3260 76 I 4.0254 8.1769 120.9005 63.2053 37.4741 177.0269 77 L 4.6844 7.2954 117.9750 54.2900 41.7080 178.5169 78 S 4.1138 8.2478 116.4482 61.2545 62.6738 175.3362 79 G 3.7812 8.0533 107.2493 46.2101 0.0000 172.6315 80 H 4.8999 8.2947 119.2678 53.6677 30.4047 175.5809 81 S 4.4551 8.8672 119.9211 61.0272 64.0551 174.2762 82 T 5.1033 7.5071 113.0879 61.8802 71.8121 173.0449 83 Y 4.9245 8.2768 122.7982 56.2740 42.2037 172.8571 84 Y 4.6654 9.2659 115.4173 56.2933 42.3551 175.2903 85 I 4.9937 8.9732 123.6998 59.9097 39.8104 174.4416 86 Y 4.9060 9.2510 126.6021 57.6169 39.4266 174.9164 87 V 4.2416 9.3440 124.6373 61.5125 33.5547 174.5630 88 I 5.0459 8.4497 128.2707 59.2365 40.7793 175.3194 89 A 4.5762 8.7668 128.8114 51.9110 19.4075 176.6710 90 T 4.4761 8.2962 109.1790 61.0228 70.5071 174.0712 91 A 4.7341 8.1379 124.1587 50.0127 23.0849 174.4664 92 P 4.5944 0.0000 0.0000 63.1405 31.3437 176.7565 93 N 4.7902 7.9965 115.0133 53.0527 38.8003 173.6892 94 M 5.0118 7.5808 120.1685 54.1617 34.2336 174.9949 95 F 4.9890 8.9831 121.7768 55.4064 43.0790 174.3133 96 N 4.9271 8.8936 121.8466 52.9321 38.6331 175.3155 97 V 3.6571 8.7115 127.1880 66.3007 32.0710 178.1710 98 N 4.4561 8.3354 116.5389 56.4241 38.0543 177.0357 99 D 4.5115 8.2978 119.8477 57.2329 41.0033 178.5916 100 V 4.1874 7.9209 118.0214 65.7421 32.0851 177.4485 101 L 4.5840 8.8106 117.4848 55.1696 42.3567 178.1269 102 G 4.0216 8.9452 108.8962 46.5500 0.0000 176.1881 103 A 4.0336 8.7706 124.3128 54.4625 18.4269 177.6219 104 Y 4.4873 7.4872 112.0600 57.6664 38.1989 175.6232 105 S 4.2350 7.9308 116.2568 57.9837 62.5323 172.4941 106 P 4.3712 0.0000 0.0000 65.3311 32.1166 176.3146 107 H 4.9639 7.6322 115.0922 53.3426 29.2104 172.1750 108 P 4.3068 0.0000 0.0000 65.3063 31.9187 179.2201 109 D 4.4772 8.0453 117.5825 55.7402 39.6650 176.9768 110 D 4.3768 8.2041 120.0471 56.1875 41.2548 176.7813 111 Q 3.3151 7.7560 116.2532 56.7339 26.6241 173.5987 112 D 4.8114 7.7216 116.7007 53.9587 43.4789 175.4032 113 V 4.8682 8.7413 125.4914 61.3751 33.9111 174.2166 114 S 5.4202 9.3364 124.2495 56.7360 66.2449 173.1235 115 A 5.0067 9.1663 126.6233 50.2447 20.2700 176.1036 116 L 3.8438 9.1480 126.5603 56.7726 42.2300 177.6357 117 G 3.7162 8.9275 116.1129 44.9098 0.0000 173.2227 118 G 3.8263 8.1930 104.6002 44.7247 0.0000 172.5699 119 I 4.4032 8.2295 118.4720 58.5058 38.9205 174.2534 120 P 4.8841 0.0000 0.0000 62.3807 32.1606 177.1731 121 Y 4.1257 8.6209 121.8382 60.7500 39.0736 178.5719 122 S 4.7433 8.2491 112.8648 59.7867 63.5657 175.0394 123 Q 3.6020 8.2816 122.0217 56.5192 29.1193 174.7784 124 I 4.4665 7.4175 119.0376 60.8369 37.2857 175.1188 125 Y 2.9252 9.1485 128.9397 58.1460 39.1564 175.8794 126 G 3.6636 7.1814 105.0330 45.9650 0.0000 170.3480 127 W 5.4448 7.0575 114.5798 55.6560 31.9967 173.0802 128 Y 5.0503 9.1212 120.3461 56.5658 39.4863 174.8171 129 R 4.0744 8.7735 125.0621 55.5988 31.3986 175.3317 130 V 4.1982 8.2452 126.5396 61.1813 33.9480 173.5291 131 H 4.8198 8.4026 127.7835 54.4956 32.5332 173.5237 132 F 3.7479 9.4563 126.0568 58.8089 36.8476 176.6684 133 G 4.2526 8.5296 106.2561 44.6032 0.0000 173.9020 134 V 4.2975 7.4273 120.0898 60.7987 33.3216 175.0107 135 L 4.3714 8.3394 129.9674 54.7623 39.9797 176.5913 136 D 4.8397 8.2363 119.0723 52.5668 40.8521 175.1072 137 E 4.8909 7.6208 116.9332 55.2400 33.1621 175.7003 138 Q 4.3475 8.4313 119.7536 55.2118 29.5917 175.8829 139 L 3.5153 8.4596 121.6992 56.2539 42.6174 175.5798 140 H 4.4279 8.7466 126.2578 54.5129 31.4081 174.0309 141 R 3.8514 7.7428 124.9544 55.4478 31.3429 175.6624 142 N 4.2778 8.0626 125.1059 53.3845 39.2030 176.8367 143 R 4.0026 8.9142 125.6069 58.4592 29.8149 173.8772 144 G 4.0834 8.8189 104.5664 46.2441 0.0000 173.1865 145 Y 4.4197 7.6656 121.9639 57.5791 39.5305 175.8683 146 R 3.9885 7.6296 125.4411 53.3856 31.0913 175.6051 147 D 4.0628 7.7842 122.8829 56.9475 41.1620 177.7932 148 R 3.9877 7.6540 117.3564 59.0255 30.1158 178.0314 149 Y 4.1393 7.4346 115.9871 60.3370 38.0293 176.9093 150 Y 4.7430 7.5438 115.3628 58.1221 39.5357 177.8604 151 S 4.6327 8.4849 113.6989 59.9746 63.2768 174.6794 152 N 4.7190 8.1067 116.1570 52.5760 37.8789 174.4487 153 L 4.7238 7.7584 119.7635 53.2892 44.0252 174.4487 154 D 5.3119 8.1209 119.8065 51.8796 44.8995 174.6110 155 I 4.2006 8.2478 113.6443 60.4307 38.3995 175.6593 156 A 4.1987 8.2267 125.7901 50.9444 18.8902 176.2164 157 P 4.3247 0.0000 0.0000 62.1765 32.4936 177.3222 158 A 3.9058 8.6552 121.6744 55.4012 17.9902 179.7836 159 A 3.2863 7.7533 117.7242 55.0745 18.3750 178.5651 160 D 4.7099 7.9878 114.7185 55.1325 41.5837 178.0059 161 G 3.7404 8.0394 106.3165 45.6644 0.0000 175.4146 162 Y 4.7330 7.6774 119.2748 61.2688 37.7463 178.4567 163 G 3.8594 8.0892 104.7859 46.7505 0.0000 173.8569 164 L 4.5468 7.9713 120.1237 54.4290 42.3962 178.2187 165 A 3.6064 8.3506 124.6780 53.8121 18.3227 179.3528 166 G 4.2924 8.2540 101.8713 46.1568 0.0000 173.8814 167 F 3.7511 7.1976 116.3746 56.2891 39.6666 174.0617 168 P 4.5758 0.0000 0.0000 62.1317 31.8567 175.7187 169 P 4.2930 0.0000 0.0000 65.8705 31.2588 177.3476 170 E 4.3771 8.0680 114.0007 56.5184 30.2537 175.9859 171 H 4.0396 8.2738 121.1818 55.7150 30.4225 176.4176 172 R 3.8874 8.0215 122.0967 58.5288 29.8960 178.5311 173 A 3.4953 7.1275 121.7025 54.5877 18.4058 178.9371 174 W 4.7540 7.6974 114.2278 58.6952 29.2670 177.5982 175 R 4.6471 8.1373 117.0881 55.6838 29.8866 175.5780 176 E 4.8761 8.0961 117.5682 54.0043 33.1936 175.3027 177 E 4.1986 8.6342 120.6494 56.1828 30.0557 176.1632 178 P 4.3374 0.0000 0.0000 63.4181 31.9064 177.8939 179 W 4.4940 7.3272 118.8330 59.2498 28.9003 177.4649 180 I 4.5787 8.1826 120.9307 63.8898 37.0421 176.6757 181 H 4.5889 7.9159 114.1434 57.0842 28.6821 175.4039 182 H 4.9057 8.5418 116.7036 55.0096 29.8639 173.6306 183 A 3.4626 7.7151 123.4229 51.1475 18.8567 176.6948 184 P 4.1479 0.0000 0.0000 61.3458 32.0500 174.2238 185 P 4.3600 0.0000 0.0000 64.3109 31.4754 176.9592 186 G 3.9315 8.9413 110.9955 45.1799 0.0000 173.3083 187 S 4.3844 7.5659 118.8101 58.4535 63.2142 173.9616 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 N 8.37 5.13 0.00 2.75 3.27 0.00 0.00 6.64 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 D 7.72 4.75 0.00 2.80 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.94 4.80 0.00 2.60 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.42 4.77 0.00 1.31 1.17 0.00 1.36 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.09 0.99 7.81 5 L 8.49 4.97 0.00 1.42 1.51 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.90 5.22 0.00 3.12 2.94 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 7 R 9.34 5.09 0.00 1.96 1.96 0.00 3.37 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 8 A 8.88 4.91 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 9 D 9.48 4.89 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 10 S 8.95 4.41 0.00 3.91 3.70 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 R 8.44 4.16 0.00 1.82 2.01 0.00 3.15 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 12 P 0.00 3.73 0.00 2.01 2.11 0.00 3.90 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 13 P 0.00 3.85 0.00 1.46 0.49 0.00 3.05 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.44 0.00 14 D 7.65 4.24 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.84 4.01 0.00 1.95 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 0.00 2.31 2.34 0.00 16 I 7.59 3.54 1.78 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.02 0.78 0.00 0.00 17 K 8.00 2.82 0.00 1.31 1.64 0.00 1.52 0.00 0.00 1.43 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.01 0.29 7.81 18 Q 7.65 3.88 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 19 S 7.98 4.36 0.00 4.05 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 20 G 7.17 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 0.00 0.00 0.00 21 G 7.03 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 22 L 8.49 4.31 0.00 1.66 1.60 0.78 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 23 M 8.11 4.73 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.47 0.00 24 P 0.00 4.55 0.00 2.46 2.26 0.00 3.72 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 2.05 2.00 0.00 25 R 8.78 4.05 0.00 2.00 2.04 0.00 3.22 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 26 G 8.51 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 27 Q 8.17 3.89 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 2.63 2.43 0.00 28 S 8.14 4.37 0.00 4.16 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 29 E 7.94 3.97 0.00 2.28 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 0.00 2.35 2.38 0.00 30 Y 8.03 4.11 0.00 3.06 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 31 F 7.80 4.30 0.00 3.16 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 32 D 8.62 4.65 0.00 2.65 2.73 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 33 R 8.30 4.45 0.00 1.85 2.02 0.00 2.85 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 34 G 8.30 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.17 4.00 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 1.24 0.00 0.00 36 Q 8.52 4.28 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 37 M 8.31 4.27 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 38 N 9.40 4.74 0.00 2.85 2.85 0.00 0.00 6.77 8.11 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 39 I 8.16 4.13 1.70 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 0.83 0.71 0.00 0.00 40 N 8.81 4.65 0.00 3.05 3.03 0.00 0.00 6.66 7.19 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 41 L 8.73 3.42 0.00 1.45 1.44 0.08 0.80 0.00 0.00 0.00 0.00 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0.00 2.29 1.96 0.00 50 T 7.87 4.01 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 51 G 8.72 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 0.00 0.00 0.00 52 F 7.48 4.54 0.00 3.16 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.23 4.06 2.16 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 0.86 0.00 0.00 0.99 0.00 0.00 54 R 8.44 4.16 0.00 1.96 1.97 0.00 3.19 0.00 0.00 3.45 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 55 H 8.75 4.37 0.00 3.22 3.35 0.00 5.60 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 7.96 4.87 0.00 3.01 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 57 D 8.03 4.63 0.00 3.06 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 58 G 9.13 3.78 0.00 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0.00 2.55 2.50 0.00 75 T 7.14 4.23 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 76 I 8.18 4.03 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.33 0.91 0.00 0.00 77 L 7.30 4.68 0.00 1.03 1.31 0.61 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.25 4.11 0.00 4.00 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 0.00 79 G 8.05 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 80 H 8.29 4.90 0.00 3.42 3.51 0.00 5.63 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 81 S 8.87 4.46 0.00 3.95 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 0.00 82 T 7.51 5.10 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 0.92 0.00 0.00 83 Y 8.28 4.92 0.00 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4.31 0.00 2.23 2.33 0.00 3.70 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 109 D 8.05 4.48 0.00 2.79 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 0.00 110 D 8.20 4.38 0.00 2.77 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 0.00 111 Q 7.76 3.32 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 112 D 7.72 4.81 0.00 2.79 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.74 4.87 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 0.99 0.00 0.00 0.98 0.00 0.00 114 S 9.34 5.42 0.00 3.80 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 0.00 115 A 9.17 5.01 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 0.00 116 L 9.15 3.84 0.00 1.79 1.85 0.08 1.14 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 0.00 117 G 8.93 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 0.00 0.00 0.00 118 G 8.19 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 I 8.23 4.40 1.86 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 1.30 0.80 0.92 0.00 0.00 120 P 0.00 4.88 0.00 2.36 2.11 0.00 3.86 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.16 0.00 121 Y 8.62 4.13 0.00 3.07 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 0.00 122 S 8.25 4.74 0.00 4.10 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 0.00 123 Q 8.28 3.60 0.00 1.69 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.97 0.00 0.00 0.00 0.00 0.00 1.92 1.16 0.00 124 I 7.42 4.47 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.80 1.25 0.00 0.00 125 Y 9.15 2.93 0.00 2.29 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 7.18 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 0.00 127 W 7.06 5.44 0.00 3.13 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 0.00 128 Y 9.12 5.05 0.00 2.90 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 0.00 129 R 8.77 4.07 0.00 1.85 1.92 0.00 3.02 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.89 0.00 130 V 8.25 4.20 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.56 0.00 0.00 131 H 8.40 4.82 0.00 2.97 2.91 0.00 5.81 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.46 3.75 0.00 3.10 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 0.00 133 G 8.53 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 0.00 134 V 7.43 4.30 2.21 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 0.99 0.00 0.00 1.03 0.00 0.00 135 L 8.34 4.37 0.00 1.44 1.41 0.48 0.50 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 0.00 136 D 8.24 4.84 0.00 2.68 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 7.62 4.89 0.00 1.94 1.87 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 2.20 2.28 0.00 138 Q 8.43 4.35 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 139 L 8.46 3.52 0.00 1.15 1.41 0.30 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 140 H 8.75 4.43 0.00 3.13 2.46 0.00 5.83 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 R 7.74 3.85 0.00 1.34 1.29 0.00 2.61 0.00 0.00 2.88 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.27 0.00 142 N 8.06 4.28 0.00 2.51 2.66 0.00 0.00 7.16 7.17 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 0.00 143 R 8.91 4.00 0.00 1.87 1.84 0.00 3.31 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 144 G 8.82 4.08 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 0.00 145 Y 7.67 4.42 0.00 2.92 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 0.00 146 R 7.63 3.99 0.00 0.83 0.66 0.00 2.94 0.00 0.00 2.78 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.83 0.00 147 D 7.78 4.06 0.00 2.92 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 0.00 148 R 7.65 3.99 0.00 1.78 1.98 0.00 3.25 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 149 Y 7.43 4.14 0.00 1.81 1.74 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 0.00 150 Y 7.54 4.74 0.00 3.03 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 0.00 151 S 8.48 4.63 0.00 4.05 4.31 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 0.00 152 N 8.11 4.72 0.00 2.85 2.96 0.00 0.00 5.92 7.79 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 0.00 153 L 7.76 4.72 0.00 1.94 1.64 0.99 0.71 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 0.00 154 D 8.12 5.31 0.00 2.76 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 0.00 155 I 8.25 4.20 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.64 0.87 0.00 0.00 156 A 8.23 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 P 0.00 4.32 0.00 2.19 2.17 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.94 0.00 158 A 8.66 3.91 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 0.00 159 A 7.75 3.29 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 0.00 160 D 7.99 4.71 0.00 2.85 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 0.00 161 G 8.04 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 0.00 0.00 0.00 162 Y 7.68 4.73 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 G 8.09 3.86 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 0.00 0.00 0.00 164 L 7.97 4.55 0.00 1.60 1.60 0.64 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.35 3.61 0.83 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 0.00 0.00 0.00 0.00 0.00 0.00 166 G 8.25 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 0.00 167 F 7.20 3.75 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 P 0.00 4.58 0.00 2.24 2.06 0.00 3.37 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 169 P 0.00 4.29 0.00 2.07 2.13 0.00 3.74 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 2.07 2.17 0.00 170 E 8.07 4.38 0.00 1.97 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 2.29 2.31 0.00 171 H 8.27 4.04 0.00 3.08 2.78 0.00 5.78 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 R 8.02 3.89 0.00 1.92 2.02 0.00 3.02 0.00 0.00 3.30 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.35 0.00 173 A 7.13 3.50 -1.04 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 0.00 174 W 7.70 4.75 0.00 3.35 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 0.00 175 R 8.14 4.65 0.00 1.89 1.96 0.00 3.12 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 176 E 8.10 4.88 0.00 2.27 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 2.28 2.42 0.00 177 E 8.63 4.20 0.00 1.87 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 2.30 2.22 0.00 178 P 0.00 4.34 0.00 1.38 1.58 0.00 2.20 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 179 W 7.33 4.49 0.00 3.72 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 0.00 180 I 8.18 4.58 2.03 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 1.50 2.64 0.74 0.00 0.00 181 H 7.92 4.59 0.00 3.11 3.28 0.00 5.65 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 H 8.54 4.91 0.00 3.51 3.48 0.00 5.66 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 0.00 183 A 7.72 3.46 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 0.00 184 P 0.00 4.15 0.00 1.81 1.69 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.25 0.00 185 P 0.00 4.36 0.00 2.12 2.01 0.00 3.65 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 1.92 1.91 0.00 186 G 8.94 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 0.00 0.00 0.00 187 S 7.57 4.38 0.00 3.98 3.55 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 * Residues marked with a * may have inaccurate shift predictions.