NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4355 8.3349 115.4101 57.2075 64.3772 173.1202 4 P 4.2586 0.0000 0.0000 60.2874 31.8265 172.9577 5 E 4.1437 8.7153 120.2610 55.4033 31.5060 174.9355 6 D 4.8298 8.1774 122.5397 52.0526 43.5169 174.8843 7 F 4.7354 8.6514 123.3926 55.5713 41.4028 174.8056 8 V 4.6361 8.6729 125.3111 61.1326 34.5139 173.4808 9 Y 5.2678 8.7584 127.1160 55.9932 41.5520 174.4389 10 Q 4.8405 8.8906 124.5058 54.1364 33.2926 173.9574 11 F 5.5836 8.9813 124.2288 56.4758 42.5199 173.6935 12 K 4.1364 8.3502 125.3459 54.5112 34.9210 176.1259 13 G 4.0205 8.2840 114.1065 45.1843 0.0000 172.4555 14 M 4.4732 8.5499 125.0145 55.3271 34.1698 174.6243 15 C 5.2134 8.2194 117.9886 55.4141 44.0660 172.8695 16 Y 4.7062 9.1715 121.4280 56.1027 40.2311 174.8258 17 F 5.4475 8.8562 121.5960 56.2863 42.9085 174.7402 18 T 4.5690 8.7139 117.0269 62.8273 73.3848 173.4661 19 N 4.3942 9.4878 121.8107 54.6218 36.8122 174.1694 20 G 3.8033 7.5144 113.0712 47.2122 0.0000 173.4719 21 T 4.4586 8.2670 112.6606 61.1760 69.0223 175.6751 22 E 4.0002 8.2969 123.6312 59.7700 29.9230 177.3889 23 R 4.6060 7.8821 119.1735 54.3734 32.2282 175.5269 24 V 4.7819 8.3067 123.5485 60.9785 34.6811 174.3916 25 R 4.5667 8.9433 127.8521 54.4404 33.2189 173.3735 26 L 5.0286 9.1399 128.8623 53.6258 44.6450 175.4027 27 V 5.0398 9.0765 125.8237 61.5237 34.8005 173.7410 28 S 5.0883 9.1048 123.7865 57.0919 65.3993 173.3942 29 R 5.0520 8.5925 122.1231 54.6101 33.4987 174.4087 30 S 5.3007 9.1370 120.9805 57.3087 64.8646 173.2281 31 I 4.8185 9.1176 127.3449 59.5152 39.9984 174.0405 32 Y 4.6366 8.8642 128.5654 58.1619 40.1371 176.6868 33 N 4.0738 9.7686 128.1644 54.2641 37.7381 175.3046 34 R 4.5631 9.1841 119.6635 56.0148 32.3568 174.4875 35 E 4.5971 8.4111 118.2046 53.9271 31.1787 174.9966 36 E 4.4224 8.8923 125.3623 56.2191 30.3198 175.7062 37 I 4.4458 8.8577 119.9762 60.8459 40.2555 175.7630 38 V 5.0952 7.7434 120.8348 61.2658 35.4808 174.1874 39 R 5.3862 9.3194 125.3130 55.0613 34.3952 173.4803 40 F 4.6980 9.1910 127.0884 56.4774 42.1116 173.0354 41 D 5.2304 7.7638 127.0419 52.2052 42.2008 177.1943 42 S 4.1679 9.0818 122.2617 61.2350 63.1441 175.6326 43 D 4.3752 8.3463 120.8085 56.6747 40.8441 177.6866 44 V 3.6181 7.4438 117.8556 63.7340 31.8362 176.9527 45 G 3.8919 9.5339 106.7254 44.9656 0.0000 172.1339 46 E 4.8441 6.7167 115.1944 54.6305 32.4742 174.5193 47 F 4.8042 9.2940 118.7889 57.8336 39.9280 175.6630 48 R 4.8308 9.5706 120.7997 54.3736 34.2029 174.5375 49 A 4.7403 8.9203 125.9634 52.1219 18.7892 177.4412 50 V 4.3737 8.8613 120.9424 62.2070 32.6362 176.0819 51 T 4.7564 7.6604 110.3256 58.7086 71.8614 174.3178 52 L 3.9605 8.7218 122.5934 58.2922 41.2328 179.6579 53 L 4.0481 8.0179 119.0459 57.5507 42.2766 178.1808 54 G 3.8779 8.3284 104.1225 44.6734 0.0000 175.0450 55 L 3.9263 7.4510 123.2734 57.9097 42.0530 176.8852 56 P 4.1153 0.0000 0.0000 65.6183 31.2699 178.2495 57 A 3.1724 7.6787 118.4541 54.8007 18.2493 179.2580 58 A 4.0085 7.9493 119.2948 55.4935 18.2830 179.7429 59 E 3.9481 8.0723 115.8340 59.5812 29.8288 178.7466 60 Y 4.1086 7.9434 119.4502 60.6767 38.8158 178.1753 61 W 4.2040 7.9236 119.7730 59.7463 28.7865 178.0093 62 N 4.7604 8.0253 114.8325 55.1450 38.1887 176.5668 63 S 4.6648 7.7442 114.0971 58.3564 64.2421 174.9141 64 Q 4.3208 7.3541 123.1950 54.2512 28.4851 175.7186 65 K 3.9549 8.4512 126.0502 59.2567 32.3271 178.5887 66 D 4.3358 8.0180 118.9106 56.6227 39.3257 178.6828 67 I 3.6845 7.6523 121.0580 63.8333 37.1726 178.0944 68 L 4.0944 8.1607 119.9241 57.9540 41.2540 179.4081 69 E 3.9698 8.2085 117.4293 59.6848 29.6251 179.4681 70 R 4.0305 7.8542 117.6152 58.9647 30.1796 179.0452 71 K 3.6215 8.0601 119.5892 59.4575 31.8554 179.1834 72 R 4.1283 7.9117 116.9819 58.8098 30.1942 178.2988 73 A 4.2316 7.7131 120.0677 53.9269 18.6706 179.1063 74 A 3.9497 7.6788 119.5315 55.2526 18.3169 179.9920 75 V 3.6547 7.9628 117.1688 64.5567 31.0916 177.5923 76 D 4.6171 8.2385 118.7650 56.0276 41.5779 178.6997 77 R 3.9725 8.0195 117.7844 59.0625 30.3636 176.4565 78 V 4.1941 8.4574 116.5705 64.3862 32.8565 176.7048 79 C 4.5112 8.0556 114.9400 60.7334 40.3032 176.6271 80 R 4.0582 8.1933 118.5783 59.3340 30.0457 178.5073 81 H 4.3342 8.1982 117.9927 59.6017 29.9049 177.2157 82 N 4.3756 8.7466 118.5704 56.3693 38.4095 176.8092 83 Y 3.6706 8.2094 121.0344 60.3530 38.4796 178.2467 84 Q 4.1111 7.7458 118.3856 58.8534 29.1516 178.1697 85 L 4.0652 7.7702 119.4271 57.9798 41.6361 179.2804 86 E 3.8595 8.2456 118.5533 59.3613 29.0729 179.4514 87 L 3.8319 7.5271 117.9601 56.8512 41.7043 178.6169 88 R 4.4869 7.5688 115.8286 55.2661 30.9062 176.3839 89 T 4.4481 7.5802 105.9035 62.1812 69.9108 175.8103 90 T 3.7020 8.9704 116.8335 66.3304 69.3465 176.0139 91 L 4.2958 8.0082 118.3246 56.3622 41.6688 177.6144 92 Q 4.4104 7.9365 116.9730 55.6322 29.6861 176.0257 93 R 3.9091 7.5136 119.1249 56.6152 30.3309 175.9848 94 R 4.9378 8.5059 123.8845 55.2005 33.7064 174.4417 95 V 4.4297 9.2492 125.7434 60.7230 33.6479 174.8207 96 E 4.8924 9.1719 128.2435 55.3229 29.8789 175.3302 97 P 4.9056 0.0000 0.0000 63.0748 32.7303 175.4382 98 T 4.5447 8.9186 112.4807 60.4003 70.8693 173.4321 99 V 4.8161 8.4091 125.4556 61.4241 33.6234 174.6766 100 T 4.8449 8.9837 123.9059 61.8206 72.4856 172.9142 101 I 5.4919 8.5564 125.0887 58.9709 40.4574 175.1942 102 S 4.7167 8.1925 118.0620 56.7644 65.8997 172.6660 103 P 4.7483 0.0000 0.0000 62.7952 31.9858 175.9566 104 S 4.2802 8.5078 113.7295 59.7393 65.9779 174.6427 *113 N 4.5117 7.7544 115.4555 53.0474 40.5191 173.7269 114 L 4.7459 7.7924 121.9287 53.7293 45.7342 174.4578 115 L 4.3969 8.5323 127.4287 53.1595 43.7957 175.6247 116 V 4.5567 8.4887 124.4874 61.3881 33.7720 173.5362 117 C 5.0379 9.5120 129.5095 55.3961 46.1145 172.6835 118 S 4.8691 9.3135 124.9370 57.5884 64.0139 174.0173 119 V 4.7776 8.6732 127.2305 61.6358 32.4811 174.5557 120 T 4.9337 8.8758 118.3454 59.3916 72.2195 173.3690 121 D 4.4205 8.4263 119.2706 55.9814 38.5435 172.9261 122 F 5.4241 7.3209 112.6564 55.6834 42.2104 174.7731 123 Y 5.2438 8.6233 118.6543 56.2492 42.6374 172.9376 124 P 3.5025 0.0000 0.0000 61.8198 32.8142 175.5858 125 A 3.5041 8.1523 121.3235 55.0268 18.3101 178.2612 126 Q 3.9270 7.7649 114.7726 56.7866 28.9122 175.6312 127 I 4.5907 7.7315 121.4461 59.8521 41.4917 173.5334 128 K 4.5100 9.0135 127.6510 54.7890 35.3404 174.8685 129 V 4.8564 8.5034 127.0763 61.1540 33.9379 174.7324 130 R 4.7173 9.1561 126.2029 54.2405 34.2829 174.2784 131 W 5.2059 8.5758 121.8803 55.4668 31.6965 175.1846 132 F 5.2388 9.7178 121.2558 55.8229 43.1342 174.1007 133 R 4.2321 9.4333 123.2585 54.1788 31.7674 174.7596 134 N 3.9999 9.4129 129.4029 54.9653 36.2654 175.9798 *135 D 4.7539 8.2393 116.5295 53.8485 39.6173 176.5804 *136 Q 4.5744 7.7256 116.4558 53.7434 29.3490 180.1770 137 E 3.8432 8.7972 124.5706 54.8219 30.3506 175.4043 138 E 4.7109 8.5913 126.0630 54.8539 31.0916 175.9404 139 T 4.3898 8.3610 111.5711 61.9258 71.1005 173.8210 140 A 4.3219 7.9052 124.9096 52.7029 19.3633 177.3069 141 G 3.8650 9.1037 111.0847 44.7929 0.0000 172.2969 142 V 4.7340 6.9978 118.7423 61.2177 33.0384 175.3175 143 V 4.5108 9.0012 127.3669 61.1430 34.6698 173.9261 144 S 5.3384 8.6911 121.7827 56.5765 65.1535 173.5108 145 T 4.4616 8.6592 117.2160 60.3968 70.0719 172.1896 146 P 4.5832 0.0000 0.0000 61.3565 32.6164 175.4102 147 L 4.1257 8.3241 120.7123 55.6182 42.5305 175.8387 148 I 4.5256 9.1143 127.2472 59.5831 39.6759 174.4434 149 R 4.5891 8.6202 127.7036 55.4023 30.2507 175.9414 150 N 4.3715 8.4779 123.9285 54.0153 38.9867 176.6503 151 G 3.8613 8.0943 105.7142 45.1336 0.0000 173.2990 152 D 4.9180 7.4154 118.3386 52.9032 39.8363 176.0260 153 W 3.2687 8.2973 116.0509 58.5111 26.3151 174.0318 154 T 4.9400 7.1835 105.8853 60.4717 72.2033 172.0129 155 F 5.3961 8.8673 120.9340 55.8951 43.5690 173.7350 156 Q 5.0806 8.9012 116.4238 55.5669 32.3202 173.4549 157 I 4.8819 9.0274 119.7608 59.8824 42.2861 173.2041 158 L 5.0838 8.8187 129.0258 53.1123 44.1544 175.4689 159 V 4.6849 8.6957 124.9939 61.6610 33.3811 174.2828 160 M 5.0900 9.6068 129.2813 53.8156 34.7534 175.1412 161 L 4.7770 8.5504 123.7334 53.0434 45.1177 174.8685 162 E 4.6114 9.0132 128.9551 56.0337 30.2633 175.2935 163 M 4.5886 8.3300 122.9072 54.9818 34.9084 174.1194 164 T 4.4240 8.1826 116.1280 60.6800 69.8448 172.8910 165 P 4.5455 0.0000 0.0000 62.9577 32.1794 175.9517 166 Q 4.5683 8.5776 120.2742 53.7465 32.7709 174.3006 167 R 4.1240 8.5366 122.8922 57.8148 30.7159 175.3384 168 G 4.1275 8.9241 112.2738 45.6290 0.0000 173.8032 169 D 4.5922 8.0355 119.8474 54.2309 42.2463 175.8935 170 V 4.5739 9.3964 123.4850 61.4856 34.0497 173.5651 171 Y 5.3296 9.1875 126.6243 56.9125 40.0699 174.8881 172 T 5.2415 9.5618 118.6788 60.4853 71.3041 171.5122 173 C 4.2200 9.3134 129.0435 55.3048 43.0230 171.4653 174 H 5.2337 9.2314 127.5757 54.5046 31.6665 173.2111 175 V 4.8158 8.7280 126.1942 61.0315 34.4100 173.7895 176 E 5.0297 9.2345 127.2946 54.8332 32.4234 174.5266 177 H 4.8767 8.5888 122.3254 54.1646 32.9820 172.2706 178 P 4.3080 0.0000 0.0000 65.6575 31.5376 177.4623 179 S 4.3687 8.1802 110.8419 59.0684 63.6529 173.1797 180 L 4.7711 8.1184 122.9338 52.8482 42.4128 176.2747 181 Q 4.1709 8.9097 123.0616 58.5011 28.6959 176.8995 182 S 4.7239 7.5391 110.2728 54.8179 66.2019 171.5560 183 P 4.4749 0.0000 0.0000 63.2994 31.8333 175.6344 184 I 4.3036 8.3469 123.7438 60.9255 38.6620 174.9382 185 T 5.1161 8.3477 115.7517 59.8872 71.7137 173.2202 186 V 4.5650 8.6139 124.8463 60.9806 34.5020 173.9202 187 E 5.4332 9.0150 125.3823 54.4903 32.3478 174.9214 188 W 5.1769 9.9842 131.6261 55.6013 34.2530 174.0081 189 R 5.0223 7.4699 121.8205 53.8293 31.7149 175.3275 190 A 3.9084 7.8156 121.7567 52.2270 18.0311 177.3341 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 3 S 8.33 4.44 0.00 3.97 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 4 P 0.00 4.26 0.00 2.13 2.01 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 5 E 8.72 4.14 0.00 1.78 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 2.25 2.24 0.00 6 D 8.18 4.83 0.00 2.55 2.44 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 0.00 7 F 8.65 4.74 0.00 3.13 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 8 V 8.67 4.64 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 0.98 0.00 0.00 0.94 0.00 0.00 9 Y 8.76 5.27 0.00 3.13 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 10 Q 8.89 4.84 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 11 F 8.98 5.58 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 12 K 8.35 4.14 0.00 1.52 1.51 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.27 1.26 7.81 13 G 8.28 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 14 M 8.55 4.47 0.00 1.71 2.12 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 15 C 8.22 5.21 0.00 2.74 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 0.00 0.00 0.00 0.00 16 Y 9.17 4.71 0.00 2.76 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 17 F 8.86 5.45 0.00 3.00 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 18 T 8.71 4.57 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 19 N 9.49 4.39 0.00 2.90 2.96 0.00 0.00 7.02 7.59 0.00 0.00 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 7.51 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 T 8.27 4.46 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 0.73 0.00 0.00 22 E 8.30 4.00 0.00 2.10 2.04 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 2.34 2.31 0.00 23 R 7.88 4.61 0.00 2.00 1.83 0.00 3.11 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 24 V 8.31 4.78 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 0.60 0.00 0.00 1.04 0.00 0.00 25 R 8.94 4.57 0.00 1.79 1.66 0.00 3.24 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 26 L 9.14 5.03 0.00 1.72 1.56 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 27 V 9.08 5.04 2.30 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 0.98 0.00 0.00 0.94 0.00 0.00 28 S 9.10 5.09 0.00 4.19 4.10 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 29 R 8.59 5.05 0.00 1.67 1.85 0.00 3.10 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 30 S 9.14 5.30 0.00 4.07 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 31 I 9.12 4.82 1.78 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 1.23 0.90 0.96 0.00 0.00 32 Y 8.86 4.64 0.00 3.05 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 33 N 9.77 4.07 0.00 2.53 2.33 0.00 0.00 6.86 7.54 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 34 R 9.18 4.56 0.00 1.71 1.87 0.00 3.14 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 35 E 8.41 4.60 0.00 2.15 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 0.00 2.52 2.34 0.00 36 E 8.89 4.42 0.00 1.98 1.95 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 2.36 2.35 0.00 37 I 8.86 4.45 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.77 1.06 0.00 0.00 38 V 7.74 5.10 2.48 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 1.40 0.00 0.00 1.04 0.00 0.00 39 R 9.32 5.39 0.00 2.12 1.77 0.00 3.08 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 40 F 9.19 4.70 0.00 2.67 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 41 D 7.76 5.23 0.00 2.60 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 0.00 0.00 0.00 0.00 42 S 9.08 4.17 0.00 4.01 4.10 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 43 D 8.35 4.38 0.00 2.81 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 44 V 7.44 3.62 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 0.67 0.00 0.00 0.82 0.00 0.00 45 G 9.53 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 46 E 6.72 4.84 0.00 2.40 1.95 0.00 0.00 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63 S 7.74 4.66 0.00 3.98 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 64 Q 7.35 4.32 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.79 0.00 0.00 0.00 0.00 0.00 1.94 2.24 0.00 65 K 8.45 3.95 0.00 1.77 1.88 0.00 1.72 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.47 7.81 66 D 8.02 4.34 0.00 2.86 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 67 I 7.65 3.68 1.99 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 1.62 0.78 0.82 0.00 0.00 68 L 8.16 4.09 0.00 2.01 1.82 1.08 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.21 3.97 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 70 R 7.85 4.03 0.00 1.83 1.92 0.00 3.09 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 71 K 8.06 3.62 0.00 1.57 0.87 0.00 1.18 0.00 0.00 1.36 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.21 7.81 72 R 7.91 4.13 0.00 2.00 2.05 0.00 3.37 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.96 0.00 73 A 7.71 4.23 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 74 A 7.68 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.96 3.65 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 0.97 0.00 0.00 0.93 0.00 0.00 76 D 8.24 4.62 0.00 2.84 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 77 R 8.02 3.97 0.00 1.81 1.96 0.00 3.18 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 78 V 8.46 4.19 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 1.16 0.00 0.00 0.96 0.00 0.00 79 C 8.06 4.51 0.00 3.33 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 0.70 0.00 0.00 0.82 0.00 0.00 130 R 9.16 4.72 0.00 1.85 1.50 0.00 3.28 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 131 W 8.58 5.21 0.00 3.28 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 0.00 132 F 9.72 5.24 0.00 3.15 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 0.00 133 R 9.43 4.23 0.00 1.88 1.89 0.00 3.47 0.00 0.00 3.33 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.81 0.00 134 N 9.41 4.00 0.00 2.86 2.79 0.00 0.00 6.96 7.40 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 *135 D 8.24 4.75 0.00 2.88 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 *136 Q 7.73 4.57 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.98 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 137 E 8.80 3.84 0.00 1.51 1.72 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 2.03 1.81 0.00 138 E 8.59 4.71 0.00 2.03 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 2.48 0.00 139 T 8.36 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 1.17 0.00 0.00 140 A 7.91 4.32 1.25 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 0.00 141 G 9.10 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 0.00 142 V 7.00 4.73 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 0.93 0.00 0.00 0.99 0.00 0.00 143 V 9.00 4.51 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.90 0.00 0.00 144 S 8.69 5.34 0.00 3.92 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 0.00 145 T 8.66 4.46 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 1.29 0.00 0.00 146 P 0.00 4.58 0.00 2.21 2.12 0.00 3.79 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 147 L 8.32 4.13 0.00 1.64 1.59 0.95 0.51 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 0.00 148 I 9.11 4.53 2.04 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 1.14 0.84 0.92 0.00 0.00 149 R 8.62 4.59 0.00 1.99 1.86 0.00 3.18 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.38 0.00 150 N 8.48 4.37 0.00 2.88 2.77 0.00 0.00 7.21 7.58 0.00 0.00 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 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 0.00 152 D 7.42 4.92 0.00 2.79 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 0.00 153 W 8.30 3.27 0.00 3.28 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 0.00 154 T 7.18 4.94 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 1.23 0.00 0.00 155 F 8.87 5.40 0.00 1.95 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 0.00 156 Q 8.90 5.08 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 157 I 9.03 4.88 2.07 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 1.30 1.37 1.06 0.00 0.00 158 L 8.82 5.08 0.00 1.73 1.60 1.01 0.74 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 0.00 159 V 8.70 4.68 2.18 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 1.28 0.00 0.00 0.97 0.00 0.00 160 M 9.61 5.09 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 161 L 8.55 4.78 0.00 0.32 0.13 0.68 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 162 E 9.01 4.61 0.00 1.83 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 2.23 2.20 0.00 163 M 8.33 4.59 0.00 1.67 1.63 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.65 0.00 164 T 8.18 4.42 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 1.23 0.00 0.00 165 P 0.00 4.55 0.00 2.30 2.22 0.00 3.72 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 2.03 2.04 0.00 166 Q 8.58 4.57 0.00 2.45 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 7.13 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 167 R 8.54 4.12 0.00 1.76 1.84 0.00 3.22 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 168 G 8.92 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 0.00 169 D 8.04 4.59 0.00 3.04 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 V 9.40 4.57 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 1.06 0.00 0.00 0.98 0.00 0.00 171 Y 9.19 5.33 0.00 3.42 3.28 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 0.00 172 T 9.56 5.24 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 1.41 0.00 0.00 173 C 9.31 4.22 0.00 1.98 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.23 5.23 0.00 3.30 3.54 0.00 5.57 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 V 8.73 4.82 1.95 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 0.74 0.00 0.00 0.78 0.00 0.00 176 E 9.23 5.03 0.00 1.84 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 2.19 2.19 0.00 177 H 8.59 4.88 0.00 2.96 2.98 0.00 5.70 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.31 0.00 1.94 2.08 0.00 3.07 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.01 0.00 179 S 8.18 4.37 0.00 4.09 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 0.00 180 L 8.12 4.77 0.00 1.69 1.91 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 181 Q 8.91 4.17 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 182 S 7.54 4.72 0.00 3.91 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 0.00 183 P 0.00 4.47 0.00 1.76 1.96 0.00 3.72 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 1.93 2.00 0.00 184 I 8.35 4.30 1.79 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 1.25 0.54 0.86 0.00 0.00 185 T 8.35 5.12 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 1.16 0.00 0.00 186 V 8.61 4.57 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.97 0.00 0.00 187 E 9.01 5.43 0.00 2.19 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 2.23 2.34 0.00 188 W 9.98 5.18 0.00 3.58 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 R 7.47 5.02 0.00 1.64 1.72 0.00 3.07 0.00 0.00 2.77 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.35 0.00 190 A 7.82 3.91 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.