NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.1002 8.3349 115.3508 56.9739 64.1544 173.3677 2 P 4.0391 0.0000 0.0000 63.0965 31.7269 173.0484 3 E 4.8173 9.3208 119.5004 56.5152 32.4653 176.3965 4 L 4.2321 7.9673 120.5392 54.7939 42.6100 177.4634 5 G 3.8227 9.3753 106.7618 45.6079 0.0000 172.4460 6 F 5.5351 7.5941 112.0678 55.4956 41.0606 173.1329 7 S 5.0884 9.4431 114.9035 56.7204 65.8223 172.9087 8 I 5.5307 8.4698 113.6821 59.3534 40.5837 174.2726 9 S 4.9797 9.5825 117.5538 57.2393 66.9502 173.3237 10 G 4.3022 8.1345 104.8943 44.6605 0.0000 172.8737 11 G 4.1567 8.4181 105.1116 44.0227 0.0000 173.8139 12 V 3.7521 8.1998 121.6546 64.0164 31.6574 176.7271 13 G 3.9106 9.0604 114.9753 45.6809 0.0000 173.8708 14 G 4.0148 7.8601 108.7808 45.0677 0.0000 174.3626 15 R 4.1059 7.8231 119.9679 55.8037 30.0274 177.6862 16 G 3.8919 8.8248 107.0870 44.7048 0.0000 172.2877 17 N 4.9710 7.9345 113.9743 50.6294 40.0624 172.4276 18 P 4.2702 0.0000 0.0000 63.3056 31.8309 176.5015 19 F 4.5309 7.3554 117.3871 58.9366 40.1880 176.2922 20 R 4.4396 7.2032 121.7947 53.5142 32.1245 173.7681 21 P 4.1806 0.0000 0.0000 65.5037 31.3225 177.2349 22 D 4.7821 8.0145 115.7408 53.4651 40.9382 174.9313 23 D 4.9769 7.8572 119.5532 52.7374 42.9743 175.1351 24 D 4.9306 8.7873 125.5914 53.5557 41.2551 176.7224 25 G 4.3112 9.1352 108.8124 46.6818 0.0000 172.4185 26 I 5.1504 8.1344 119.9527 59.8974 39.1776 175.2573 27 F 5.2875 9.4840 125.9298 55.2131 42.5136 174.9587 28 V 4.1580 8.9489 124.3029 64.1475 31.9193 174.8260 29 T 4.8771 9.5828 123.3769 64.8598 70.2893 174.4456 30 R 4.9270 8.4528 119.8479 54.3037 34.0208 174.4330 31 V 4.8640 8.3038 121.2529 60.8697 34.4321 174.7366 32 Q 3.4983 8.9780 129.9578 55.1357 29.7693 173.8980 33 P 4.4130 0.0000 0.0000 63.8573 31.9483 175.7482 34 E 3.7036 8.8056 119.1809 57.1273 27.4177 174.8699 35 G 4.0038 7.6124 109.3931 43.5276 0.0000 173.2878 36 P 4.1952 0.0000 0.0000 65.0865 31.4451 177.4800 37 A 4.5362 7.5610 116.0753 51.8967 19.3011 178.8998 38 S 4.1494 7.9645 111.7442 60.6671 63.1128 175.5680 39 K 4.3452 7.9175 117.7325 56.4752 32.6053 176.7566 40 L 4.5490 7.7059 117.4304 54.7039 43.8762 176.4165 41 L 4.9203 7.7525 116.5076 52.7236 44.8885 175.5770 42 Q 4.5541 8.7999 117.6724 53.3807 31.7604 172.7530 43 P 4.4185 0.0000 0.0000 64.8637 31.6524 176.9595 44 G 2.9143 8.0944 111.7283 44.4226 0.0000 173.3946 45 D 4.4811 7.6216 120.7300 54.3772 41.9928 175.2840 46 K 4.0995 8.6509 125.5462 55.1241 33.6350 175.3869 47 I 4.4881 8.4328 130.0861 60.9825 37.2387 175.8137 48 I 4.4108 8.6686 120.7163 61.2815 39.7392 175.1170 49 Q 5.1302 7.5009 122.3813 55.0574 32.6600 172.7011 50 A 4.7242 8.8581 126.7020 50.9365 22.6141 176.1155 51 N 3.9280 10.0594 121.8094 54.1208 36.8084 175.8065 52 G 3.8747 8.3549 105.8803 45.4557 0.0000 173.7427 53 Y 4.3176 8.0461 118.8427 56.8925 38.7612 175.0238 54 S 4.6872 8.8246 119.7922 58.7043 63.0723 173.5149 55 F 4.7930 9.0290 125.2906 57.2760 38.9350 175.8995 56 I 3.9242 7.7659 123.6215 62.2784 37.3553 176.6079 57 N 4.4777 8.9379 120.5679 53.5153 36.3791 174.2324 58 I 3.9478 6.9928 119.0374 60.4237 39.0092 175.2227 59 E 4.7745 8.8214 125.7631 55.6252 31.6428 177.5986 60 H 4.1185 8.7021 119.8801 59.7567 29.8966 177.7121 61 G 3.3899 7.7259 106.7221 47.5363 0.0000 175.3770 62 Q 3.8243 7.8222 119.5055 58.6149 28.6963 178.4562 63 A 3.3540 7.7435 121.7271 54.8760 18.3212 179.8288 64 V 3.4634 7.6351 116.6479 66.3659 31.4236 178.4492 65 S 4.0047 7.9558 113.7095 61.3473 62.9366 176.4783 66 L 3.6310 7.8414 121.7533 57.7165 40.8575 179.5592 67 L 3.8210 7.8595 118.9100 57.7304 41.3166 179.8347 68 K 3.9792 7.8881 117.5571 59.0293 32.0146 178.5791 69 T 4.0627 7.0887 111.6595 62.3241 67.8071 174.9107 70 F 4.6899 6.8398 118.9054 57.9830 39.5277 174.4949 71 Q 4.5081 8.6947 123.5600 55.4573 30.9258 174.0157 72 N 4.2428 8.8753 119.4818 53.4801 37.3468 174.0482 73 T 5.0143 8.4432 116.2270 62.3487 71.7770 174.9906 74 V 4.3792 8.7709 125.5420 61.0090 34.6317 173.7519 75 E 4.7758 9.4849 130.1914 55.3928 30.7965 174.7688 76 L 5.1019 8.8793 127.1979 52.9225 45.2258 175.4264 77 I 4.9046 8.5105 123.8163 59.5018 39.6681 174.8032 78 I 4.9577 8.7977 120.5534 58.9327 41.4496 174.3451 79 V 4.7900 8.6195 123.3409 61.1377 33.8716 174.2313 80 R 4.9095 9.0065 128.2328 54.4033 33.1128 173.9064 81 E 4.7948 8.8009 126.6052 55.4597 30.6851 176.0092 82 V 4.3016 9.8620 118.6517 61.0872 34.0498 174.8158 83 G 3.3472 7.7656 112.9926 45.4289 0.0000 173.1785 84 N 4.5680 7.7980 117.5146 52.3117 38.0521 173.0440 85 G 4.1687 8.1513 107.8204 45.5203 0.0000 173.2362 86 A 4.2569 7.6854 120.7849 51.9024 19.5428 176.8961 87 K 5.1044 8.4912 119.4273 54.8300 36.5399 175.7507 88 Q 4.6632 9.1790 122.1175 54.0467 32.5438 173.9938 89 E 4.9663 8.7742 123.8227 54.7367 31.2202 174.7847 90 I 4.5005 8.8340 128.4429 59.4117 40.2790 174.4352 91 R 4.9542 8.5724 127.0887 54.8281 31.4087 175.4065 92 V 4.6168 8.8180 118.9620 59.5621 36.3960 174.5933 93 R 4.9790 8.5128 120.7195 54.5189 32.5427 175.3082 94 V 4.3919 8.8917 124.6027 61.0961 34.1695 173.9954 95 E 4.8471 8.6863 127.3216 54.5044 30.6185 176.0969 96 K 4.2307 9.1972 125.6909 56.9605 32.5362 176.1963 97 D 4.3372 8.7026 122.6024 54.2589 44.8587 176.4799 *104 S 4.3988 8.4753 116.6887 58.5154 63.8134 172.3123 105 S 4.7719 8.1420 112.9711 57.7941 66.1109 173.7926 106 V 4.3762 8.2660 120.1851 60.5792 33.7545 173.8787 107 P 4.8004 0.0000 0.0000 62.3747 33.4400 174.8920 108 T 4.5364 8.2150 107.9610 60.4032 72.1242 172.6181 109 N 4.1923 8.5382 116.3877 54.3743 35.7696 174.3650 110 L 4.6207 7.5963 118.7833 55.2539 43.3024 176.6389 111 E 4.8168 9.3195 124.7423 54.8033 34.7155 174.2741 112 V 4.2263 8.2277 121.8135 62.2484 31.8675 175.7371 113 V 3.9793 8.9761 128.8112 65.2123 32.2633 176.0309 114 A 4.8265 7.5902 119.8187 50.5225 22.5817 174.8422 115 A 5.1248 8.4801 121.2734 50.5487 22.6205 175.2597 116 T 4.6815 8.6564 109.7978 58.6993 71.7850 173.3335 117 P 4.3026 0.0000 0.0000 65.2071 31.4661 177.8738 118 T 4.9925 8.0623 106.5855 60.0928 70.1684 173.6535 119 S 5.0163 7.9538 115.8479 57.6556 66.9183 173.0869 120 L 4.9620 8.7791 120.3009 52.9806 46.2778 175.1224 121 L 5.0007 9.1443 125.8331 53.5114 43.7762 175.2187 122 I 5.0123 8.6088 120.6158 59.4188 40.5782 174.6832 123 S 4.9792 9.0908 117.7065 56.7184 66.8281 172.3920 124 W 5.8847 7.8944 116.8158 55.0518 31.5450 173.9269 125 D 4.5383 8.9703 121.0775 53.9488 40.7855 176.6900 126 A 3.8778 8.4697 127.0240 51.8825 18.7819 176.4511 127 S 4.3934 8.4418 117.4959 56.9032 64.4716 172.8653 128 Y 4.8405 8.2814 124.3194 58.0729 37.8805 174.7029 129 Y 4.7666 7.3506 116.5260 57.3267 41.8021 175.8438 130 G 4.0682 9.3431 110.1323 45.2564 0.0000 173.4997 131 V 4.5376 7.3033 118.6348 61.0012 34.0138 174.8855 132 S 4.5774 9.4480 123.4149 61.2422 62.9495 173.3192 133 Y 4.9105 7.4043 114.6674 56.6683 40.9491 172.4037 134 Y 5.3198 8.9818 118.0227 56.5064 40.9232 174.7252 135 R 5.1957 9.2244 123.5711 54.7114 33.0839 174.3879 136 I 4.9288 8.6924 127.4870 59.6423 39.5782 174.7214 137 T 5.3625 9.0397 117.5424 60.2116 72.2189 172.6283 138 Y 5.6000 8.1188 120.5025 56.2102 41.7842 173.8686 139 G 4.5459 8.7733 107.4390 45.0900 0.0000 171.9282 140 E 4.1489 8.7015 120.1823 56.1320 30.5596 177.1832 141 T 3.9583 8.3709 122.0393 64.9720 68.8594 174.9548 142 G 3.8825 8.9568 113.5924 45.6628 0.0000 173.7957 143 G 3.8503 7.9912 108.4527 45.2780 0.0000 173.8802 144 N 4.7697 8.3761 115.9970 52.9681 39.6344 176.0275 145 S 4.3797 7.7514 114.4264 57.2094 63.6899 172.2556 146 P 4.3329 0.0000 0.0000 62.8343 31.6433 177.0050 147 V 3.8318 8.0957 114.8200 61.7480 32.3918 175.7524 148 Q 4.4870 8.2169 121.9705 55.4080 30.4796 174.6376 149 E 5.3289 8.3830 117.8255 56.0138 32.6231 173.6404 150 F 5.1420 8.6535 114.7958 56.5017 41.6857 172.7556 151 T 5.3769 8.8069 109.2630 60.2972 71.4168 173.7608 152 V 4.9700 8.9356 115.3452 58.9119 36.5387 173.7630 153 P 4.9872 0.0000 0.0000 62.3264 32.0772 176.9428 154 Y 4.3979 8.7797 117.0242 59.8169 37.7570 177.3774 155 S 4.5005 7.4053 112.8197 58.9647 63.7561 174.1867 156 S 4.5836 8.0606 118.3553 58.3080 63.7023 173.8036 157 S 3.3285 7.9797 116.3494 57.2961 64.6455 172.9191 158 T 4.5215 6.8633 107.9274 60.9970 71.6509 172.4484 159 A 4.7927 8.7070 122.6067 51.3200 23.3025 175.1499 160 T 4.9033 8.4902 116.3675 61.8408 70.9734 173.8354 161 I 4.2860 8.6387 127.5310 59.6939 39.2649 175.1228 162 S 4.7813 8.3004 121.9098 56.9738 66.7121 173.8799 163 G 3.8537 8.6717 106.3485 46.4464 0.0000 173.7895 164 L 4.4611 7.7945 119.3007 53.5903 43.4602 176.1814 165 K 4.7050 8.9330 121.5428 55.1615 32.7862 175.5352 166 P 4.4314 0.0000 0.0000 62.7958 32.2153 176.1806 167 G 3.9040 8.7969 109.5311 46.8936 0.0000 173.2377 168 V 4.4703 7.9555 118.4074 60.5427 35.2157 174.0424 169 D 4.8913 8.5325 126.8492 54.3099 42.0849 174.8204 170 Y 5.1412 9.3200 121.2512 56.4848 41.9586 174.6484 171 T 5.1109 9.0082 119.4301 62.0640 71.0829 173.4007 172 I 5.0893 9.0274 127.7334 59.8461 40.1599 174.8477 173 T 4.9682 9.0474 122.9441 61.6276 72.7245 172.9197 174 V 4.6222 8.5293 125.6392 61.2083 34.1884 173.6490 175 Y 4.7638 9.3480 125.3651 55.9885 41.0016 174.4967 176 A 4.6927 8.3845 125.1214 50.4644 21.5111 174.5521 177 Y 4.6692 8.2573 120.8747 57.3234 39.2012 177.3556 178 S 4.5460 8.6762 118.8097 59.6388 64.1416 174.0166 179 D 5.0586 7.8031 119.3664 51.0426 41.6721 176.4858 180 Y 4.4318 8.4992 118.4494 59.5002 38.0886 175.9711 181 Y 4.5060 7.4239 117.6356 56.3180 38.5346 176.2912 182 G 3.6426 7.6864 108.4251 46.5968 0.0000 175.2515 183 S 4.2808 8.3527 117.2018 59.6950 63.7857 173.7785 184 H 4.8193 8.9540 122.0689 54.1650 31.9505 172.4355 185 H 4.8462 7.9898 120.4378 53.4453 31.2822 173.1252 186 Y 4.2994 7.9252 117.8809 57.2845 39.2921 175.7684 187 S 4.2309 8.7474 116.4989 58.9362 63.7224 173.3081 188 P 4.6242 0.0000 0.0000 62.1241 32.9251 174.9449 189 I 4.6585 7.9873 119.2135 59.1209 40.9689 174.1399 190 S 5.3602 8.5817 122.1389 56.6208 66.4048 172.7769 191 I 4.8231 8.8482 113.7430 59.4728 41.3720 173.4156 192 N 5.6231 8.7575 119.8649 51.9860 40.8182 173.7861 193 Y 4.7089 9.3158 123.4840 56.0935 42.9393 173.2562 194 R 5.1678 7.7142 126.4366 54.4115 32.0096 175.6823 195 T 4.3823 8.3770 116.0619 62.1475 68.4223 174.1871 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 S 8.33 4.10 0.00 4.06 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 2 P 0.00 4.04 0.00 2.21 2.03 0.00 3.63 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 3 E 9.32 4.82 0.00 1.97 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 2.39 2.31 0.00 4 L 7.97 4.23 0.00 1.36 1.79 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.38 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 0.00 0.00 0.00 6 F 7.59 5.54 0.00 3.17 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 7 S 9.44 5.09 0.00 4.01 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.47 5.53 2.11 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 1.50 0.88 1.27 0.00 0.00 9 S 9.58 4.98 0.00 4.17 4.16 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 10 G 8.13 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 0.00 0.00 0.00 0.00 11 G 8.42 4.16 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 0.00 12 V 8.20 3.75 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 0.78 0.00 0.00 1.03 0.00 0.00 13 G 9.06 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 14 G 7.86 4.01 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 0.00 15 R 7.82 4.11 0.00 1.45 1.67 0.00 2.21 0.00 0.00 2.77 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.18 0.00 16 G 8.82 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 0.00 0.00 0.00 17 N 7.93 4.97 0.00 2.75 2.83 0.00 0.00 5.95 7.75 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 18 P 0.00 4.27 0.00 1.63 1.87 0.00 3.34 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.53 0.00 19 F 7.36 4.53 0.00 2.61 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 20 R 7.20 4.44 0.00 1.66 1.84 0.00 3.36 0.00 0.00 3.43 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 21 P 0.00 4.18 0.00 2.16 2.15 0.00 3.74 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 1.99 1.98 0.00 22 D 8.01 4.78 0.00 2.71 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 23 D 7.86 4.98 0.00 2.73 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 24 D 8.79 4.93 0.00 2.90 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 25 G 9.14 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 0.00 0.00 0.00 26 I 8.13 5.15 2.09 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 1.43 1.11 1.16 0.00 0.00 27 F 9.48 5.29 0.00 3.26 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 28 V 8.95 4.16 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 0.91 0.00 0.00 0.64 0.00 0.00 29 T 9.58 4.88 4.48 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 1.38 0.00 0.00 30 R 8.45 4.93 0.00 1.86 1.93 0.00 3.01 0.00 0.00 2.92 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 31 V 8.30 4.86 2.12 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 0.81 0.00 0.00 0.96 0.00 0.00 32 Q 8.98 3.50 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.75 0.00 0.00 0.00 0.00 0.00 2.10 1.70 0.00 33 P 0.00 4.41 0.00 1.98 1.93 0.00 2.89 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 34 E 8.81 3.70 0.00 2.07 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 2.21 2.23 0.00 35 G 7.61 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 0.00 0.00 0.00 36 P 0.00 4.20 0.00 2.29 2.40 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.12 0.00 37 A 7.56 4.54 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.96 4.15 0.00 4.00 4.18 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 0.00 0.00 0.00 0.00 39 K 7.92 4.35 0.00 1.75 1.87 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.38 1.38 7.81 40 L 7.71 4.55 0.00 1.54 1.61 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 49 Q 7.50 5.13 0.00 2.10 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 50 A 8.86 4.72 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 10.06 3.93 0.00 1.52 2.46 0.00 0.00 7.22 7.69 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 52 G 8.35 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 53 Y 8.05 4.32 0.00 3.66 3.20 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 54 S 8.82 4.69 0.00 3.90 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 55 F 9.03 4.79 0.00 2.86 3.11 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 56 I 7.77 3.92 1.92 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 1.36 1.15 0.94 0.00 0.00 57 N 8.94 4.48 0.00 2.90 2.99 0.00 0.00 7.02 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 58 I 6.99 3.95 1.69 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.26 0.73 0.00 0.00 59 E 8.82 4.77 0.00 2.02 1.77 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 2.45 2.35 0.00 60 H 8.70 4.12 0.00 3.37 3.20 0.00 5.68 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 61 G 7.73 3.39 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 0.00 62 Q 7.82 3.82 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 63 A 7.74 3.35 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.64 3.46 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.94 0.00 0.00 65 S 7.96 4.00 0.00 3.73 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.61 5.01 1.97 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.83 0.86 0.00 0.00 123 S 9.09 4.98 0.00 3.62 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 0.00 124 W 7.89 5.88 0.00 3.27 3.08 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 0.00 125 D 8.97 4.54 0.00 2.63 2.65 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 0.00 126 A 8.47 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 8.44 4.39 0.00 3.79 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 0.00 128 Y 8.28 4.84 0.00 2.53 2.68 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 0.00 0.00 0.00 0.00 129 Y 7.35 4.77 0.00 3.00 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 0.00 130 G 9.34 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 0.00 131 V 7.30 4.54 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 0.31 0.00 0.00 0.85 0.00 0.00 132 S 9.45 4.58 0.00 4.14 4.14 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 0.00 133 Y 7.40 4.91 0.00 3.23 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 0.00 134 Y 8.98 5.32 0.00 3.05 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 0.00 135 R 9.22 5.20 0.00 2.11 2.01 0.00 3.28 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 1.53 1.75 0.00 136 I 8.69 4.93 0.57 0.00 0.00 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 1.17 0.45 0.71 0.00 0.00 137 T 9.04 5.36 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 1.27 0.00 0.00 138 Y 8.12 5.60 0.00 3.09 3.06 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 0.00 139 G 8.77 4.55 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 0.00 0.00 0.00 140 E 8.70 4.15 0.00 1.84 1.70 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 1.82 2.23 0.00 141 T 8.37 3.96 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 1.21 0.00 0.00 142 G 8.96 3.88 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 0.00 0.00 0.00 143 G 7.99 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 0.00 0.00 0.00 144 N 8.38 4.77 0.00 2.71 2.85 0.00 0.00 6.99 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 0.00 145 S 7.75 4.38 0.00 3.86 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 0.00 146 P 0.00 4.33 0.00 2.02 1.98 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 147 V 8.10 3.83 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 0.69 0.00 0.00 0.90 0.00 0.00 148 Q 8.22 4.49 0.00 0.93 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.60 0.00 0.00 0.00 0.00 0.00 2.24 2.13 0.00 149 E 8.38 5.33 0.00 1.98 1.83 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 2.16 2.32 0.00 150 F 8.65 5.14 0.00 3.23 3.25 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 0.00 151 T 8.81 5.38 4.57 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 0.00 0.00 0.00 1.32 0.00 0.00 152 V 8.94 4.97 2.36 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 1.24 0.00 0.00 1.40 0.00 0.00 153 P 0.00 4.99 0.00 2.19 2.27 0.00 3.86 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 154 Y 8.78 4.40 0.00 3.21 3.43 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 0.00 155 S 7.41 4.50 0.00 3.76 3.30 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 0.00 156 S 8.06 4.58 0.00 4.29 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 0.00 157 S 7.98 3.33 0.00 3.46 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 0.00 158 T 6.86 4.52 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 0.93 0.00 0.00 159 A 8.71 4.79 1.66 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 0.00 160 T 8.49 4.90 4.15 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 1.16 0.00 0.00 161 I 8.64 4.29 1.60 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.77 -0.14 0.00 0.00 162 S 8.30 4.78 0.00 3.61 3.68 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 0.00 0.00 0.00 0.00 163 G 8.67 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 0.00 0.00 0.00 164 L 7.79 4.46 0.00 1.59 1.34 0.55 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 165 K 8.93 4.70 0.00 1.85 1.85 0.00 1.87 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.57 7.81 166 P 0.00 4.43 0.00 2.11 2.19 0.00 3.54 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.85 0.00 167 G 8.80 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 V 7.96 4.47 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.94 0.00 0.00 169 D 8.53 4.89 0.00 2.58 2.56 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 0.00 170 Y 9.32 5.14 0.00 3.06 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 0.00 171 T 9.01 5.11 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 172 I 9.03 5.09 1.93 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 1.32 1.00 0.94 0.00 0.00 173 T 9.05 4.97 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 0.69 0.00 0.00 174 V 8.53 4.62 1.63 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 0.08 0.00 0.00 0.47 0.00 0.00 175 Y 9.35 4.76 0.00 2.79 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 0.00 0.00 0.00 0.00 176 A 8.38 4.69 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 0.00 177 Y 8.26 4.67 0.00 2.13 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 0.00 178 S 8.68 4.55 0.00 3.84 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 0.00 179 D 7.80 5.06 0.00 2.23 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 0.00 180 Y 8.50 4.43 0.00 3.05 3.24 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 0.00 181 Y 7.42 4.51 0.00 3.07 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 0.00 182 G 7.69 3.64 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 0.00 0.00 0.00 183 S 8.35 4.28 0.00 3.98 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 0.00 184 H 8.95 4.82 0.00 3.03 3.10 0.00 5.72 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 H 7.99 4.85 0.00 2.59 1.68 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 Y 7.93 4.30 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 0.00 187 S 8.75 4.23 0.00 3.87 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 0.00 188 P 0.00 4.62 0.00 1.37 1.09 0.00 3.59 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.49 0.00 189 I 7.99 4.66 1.76 0.00 0.00 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 1.22 1.63 0.78 0.00 0.00 190 S 8.58 5.36 0.00 3.90 3.67 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 0.00 191 I 8.85 4.82 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.30 0.96 0.00 0.00 192 N 8.76 5.62 0.00 2.65 2.80 0.00 0.00 6.63 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 Y 9.32 4.71 0.00 3.06 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 0.00 194 R 7.71 5.17 0.00 1.91 1.60 0.00 3.42 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 195 T 8.38 4.38 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.