NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.8171 8.4249 117.8007 51.6818 39.2184 174.0418 3 P 4.6078 0.0000 0.0000 61.9681 33.1884 176.7800 4 I 4.0344 9.6406 125.4707 61.4904 38.6911 174.9474 5 E 4.6449 9.3263 128.1459 56.1588 30.9538 175.9232 6 F 5.2118 9.7471 128.6193 56.3823 40.2370 172.7201 7 W 4.6833 9.4291 125.0175 55.4424 30.4551 175.2740 8 F 5.2662 8.2845 118.4696 55.8891 41.5850 172.2703 9 D 5.1563 8.8492 119.6147 52.5595 42.4642 177.5716 10 F 4.0663 8.9012 123.9230 60.5978 39.1281 176.0825 11 S 4.2351 8.5457 115.4729 58.5126 62.6108 174.0254 12 S 4.9847 8.3850 116.7574 56.7765 63.1021 174.5854 13 G 2.4916 8.6767 116.7818 47.9599 0.0000 174.4755 14 Y 4.2754 8.0074 118.3885 60.7055 37.9115 178.1233 15 A 4.2131 8.4822 121.8836 54.8757 18.2091 179.3917 16 F 3.3398 7.4996 118.5538 61.3597 39.4058 177.1819 17 F 3.9494 7.0254 115.5401 60.0335 38.7600 177.4246 18 A 4.4231 8.2399 120.3381 54.4871 19.2630 176.5488 19 A 3.9789 7.9753 122.5440 50.0463 16.1882 175.1194 20 Q 4.6053 7.4186 129.1390 55.6712 26.8306 174.7352 21 R 4.4098 7.6373 117.7949 56.8753 31.3712 177.5267 22 I 3.3975 7.4760 118.2893 64.0179 37.8177 177.3043 23 E 4.0410 8.2305 118.4363 59.5892 29.3527 179.1417 24 A 4.0027 7.9348 120.1625 54.9233 18.4898 179.2521 25 L 3.7825 7.9704 118.6256 58.2843 42.1144 179.1012 26 A 3.9278 8.0840 120.4993 54.8667 18.2130 179.2642 27 A 4.0306 8.1062 119.3027 55.6674 18.2901 179.5989 28 E 3.8902 8.2066 115.6856 59.2810 29.6396 178.8340 29 L 4.3972 7.8675 115.9664 53.5066 42.6215 176.4411 30 G 3.8904 8.1618 107.0325 47.1094 0.0000 173.2322 31 R 4.8187 8.5851 116.3951 54.4153 34.5340 176.2890 32 T 4.6302 8.3653 116.3428 62.5530 71.1707 173.9085 33 V 4.9361 8.4170 122.6285 61.1722 34.2103 174.3359 34 L 4.8779 9.4060 130.6190 53.2997 43.6351 175.1424 35 W 4.9786 9.3650 127.0808 56.7859 30.3495 177.3163 36 R 4.0307 8.4020 123.3060 53.3054 31.0509 172.1638 37 P 3.5258 0.0000 0.0000 61.6323 32.1738 175.6098 38 Y 4.3989 8.5100 123.5574 56.9395 43.6050 174.1661 *40 L 3.9211 8.4304 119.8523 55.2068 42.8743 175.9674 *54 S 4.5578 8.8092 116.3449 59.8370 64.4721 171.8411 55 T 4.2541 7.5494 116.7425 61.6558 70.2293 175.2902 56 P 4.4618 0.0000 0.0000 65.6907 31.5789 179.2572 57 L 4.2261 8.1277 119.6263 58.3657 41.5584 180.3219 58 K 4.1223 8.0210 123.3296 59.7976 31.7662 182.4854 59 R 4.2248 7.9041 118.7172 59.0223 30.0449 178.5507 60 D 4.3450 8.6493 118.5349 57.2489 41.1524 177.8308 61 Y 3.8622 8.0257 119.9526 60.4663 38.9053 177.2533 62 A 3.4588 7.7562 121.5370 55.2784 18.3275 179.4208 63 Q 3.9265 7.3224 116.0945 59.2920 28.8009 179.4945 64 R 3.7939 7.4340 118.9791 59.1139 29.9748 178.1292 65 D 3.9028 7.7973 118.1110 56.9846 41.1574 177.9709 66 W 4.0009 7.8575 119.5536 59.9255 29.0701 178.4340 67 A 4.0558 8.0388 120.3919 55.1317 17.4257 179.6679 68 R 3.8446 7.7822 117.3443 59.2158 30.1102 178.9077 69 I 3.4380 7.6903 119.9026 64.0291 36.9274 177.8109 70 A 4.1211 7.6205 121.8258 55.5958 18.3700 179.5073 71 R 3.8302 8.0249 116.7901 59.7975 29.8161 178.4662 72 Q 4.0965 7.5112 117.0561 58.8731 29.2424 177.3938 73 R 4.3123 8.0553 116.2466 55.5035 30.6122 176.3842 74 G 3.9585 7.6110 105.6124 46.6977 0.0000 173.7098 75 L 4.7918 8.1281 118.5252 52.8010 43.8675 176.3895 76 T 4.4011 8.4034 116.5713 61.1051 68.3219 173.9078 77 F 4.4185 8.5633 130.1602 56.9283 42.0405 174.1822 78 R 4.2336 8.5879 127.9103 54.1270 30.9196 172.6965 79 P 3.7859 0.0000 0.0000 60.5282 32.6691 174.2330 80 P 4.5773 0.0000 0.0000 61.5131 32.1390 177.0407 81 A 4.0044 8.5366 121.8865 54.7760 18.2504 178.4214 82 D 5.0306 7.6067 114.0092 52.6417 39.9557 176.1339 83 H 4.3411 7.9085 118.9657 56.9718 30.6091 172.2504 84 P 4.7862 0.0000 0.0000 61.5610 32.7066 175.4727 85 H 4.3474 9.5316 119.3050 55.8033 29.2221 175.7856 86 V 3.9714 8.1364 121.4023 61.9817 31.0197 176.1178 87 A 4.4011 8.1702 133.7189 52.2472 18.8255 178.7200 88 L 3.9242 7.9146 125.7868 59.2413 42.5636 177.3939 89 A 4.0090 8.0122 120.0507 55.1531 18.4245 179.3166 90 A 4.0966 8.0250 119.2765 55.6604 17.9700 180.0259 91 T 4.2716 8.4415 114.5008 67.0343 68.5526 177.1677 92 R 4.1735 8.6860 120.2366 59.2373 30.0858 178.9326 93 A 3.9918 8.4148 120.7606 54.9634 18.2533 179.3129 94 F 3.8203 8.4823 119.1025 61.9065 39.5103 177.1272 95 Y 4.1139 8.0262 115.4319 60.3379 37.3174 178.0898 96 W 4.0164 8.3525 129.8001 60.4673 30.7716 178.1610 97 I 3.4856 7.7836 119.7673 64.2085 36.2922 177.9056 98 E 3.5769 7.8097 119.0523 59.1915 29.3859 178.3109 99 A 4.0202 7.5218 119.7884 55.1820 18.3817 179.4080 100 Q 4.1414 6.9127 115.8660 57.6587 29.3544 176.8369 101 S 4.2033 8.1348 117.4426 55.6883 64.0631 172.4610 102 P 4.1142 0.0000 0.0000 65.8949 30.9915 178.3206 103 D 4.2860 7.9631 116.8128 57.2727 40.7647 178.4530 104 A 3.9858 7.8493 120.5400 54.7803 18.2539 179.6949 105 A 3.6025 7.4684 119.0288 55.3709 18.3390 179.6912 106 T 3.4072 7.6878 114.0533 66.6744 68.6115 176.2539 107 A 4.0349 7.7659 122.3218 55.3517 18.3837 179.2973 108 F 4.0456 8.5360 118.9529 61.4559 39.4087 177.0807 109 A 4.3606 8.8696 120.6548 55.6174 18.1842 179.5989 110 Q 4.2820 8.2252 116.6795 59.2720 28.7722 179.1173 111 R 3.9599 7.8703 119.3273 58.7803 30.0315 178.7547 112 V 3.1764 7.4309 118.3814 65.9408 31.4777 177.7258 113 F 4.6298 8.1549 117.5424 61.0935 38.3896 177.3471 114 D 4.7277 8.2547 117.4842 57.3168 41.0892 178.3605 115 L 3.8265 8.0648 119.5678 57.6733 41.7418 178.7035 116 Y 3.7251 8.6301 119.8787 60.1983 38.5989 177.2178 117 F 4.0825 8.0090 116.6987 57.1663 38.9846 176.6003 118 S 4.5335 7.0191 113.9884 57.6747 63.0174 173.2987 119 D 4.0539 7.4291 117.8884 56.3665 39.3297 174.8337 120 R 4.6323 7.9839 112.8350 54.9548 31.9812 175.4707 121 L 4.2912 7.3306 119.8972 53.6402 44.9803 174.5874 122 D 4.7273 8.6882 126.5424 53.5769 40.6445 176.4294 123 T 4.0792 8.5573 116.9914 62.8774 69.2769 176.0854 124 A 4.2578 8.0712 124.2644 52.9619 19.1557 177.7216 125 S 4.5158 7.8649 111.4547 56.3867 63.3379 172.4129 126 P 4.2101 0.0000 0.0000 65.7843 30.9532 178.0246 127 E 3.8705 8.1000 115.6412 59.3460 29.7946 178.2550 128 A 4.1132 7.8450 120.3672 55.1932 18.4475 179.7973 129 V 3.5939 8.0775 117.2257 66.0428 31.4037 178.2681 130 S 4.2709 8.3055 113.5061 60.7199 62.6724 175.9782 131 R 4.1372 7.4663 120.6684 57.8405 29.9699 177.7866 132 L 4.3801 7.9575 118.5884 56.5424 42.0064 178.5568 133 G 3.9932 7.8753 106.5476 46.2844 0.0000 172.6592 134 P 5.2221 0.0000 0.0000 62.1038 31.3500 175.0971 135 E 4.5831 7.8837 116.5749 56.6168 32.2113 175.5589 136 V 4.3141 8.6165 118.9679 62.1818 31.8234 175.4783 137 G 4.3395 8.3787 103.6489 46.1606 0.0000 173.9769 138 L 4.8125 7.1296 116.1751 51.8996 44.5978 177.0381 139 E 4.1158 8.6945 123.5016 55.2747 31.2844 175.2168 140 P 4.2683 0.0000 0.0000 66.2940 31.4999 178.2828 141 E 3.7732 8.1568 116.1100 59.5942 29.3890 179.5228 142 A 3.7753 7.8405 119.7255 54.9542 18.6093 179.0080 143 L 2.6608 7.4448 118.7038 57.9926 41.8891 178.8708 144 L 3.7781 7.8492 117.3247 57.8842 42.0257 179.2518 145 A 4.0837 8.1556 120.6891 54.9862 18.3504 179.7571 146 G 2.7100 7.3908 104.7743 47.6738 0.0000 175.7749 147 I 3.9030 7.1899 113.4275 62.2794 37.6931 176.8661 148 A 4.4361 7.2137 121.0537 50.9801 19.4715 175.8684 149 D 4.6525 7.5245 119.7068 52.8760 42.4865 175.6299 150 P 4.2769 0.0000 0.0000 65.7114 31.3776 178.6742 151 A 4.0116 8.1769 119.1691 55.0116 18.2761 179.3132 152 L 4.0330 8.3452 119.0083 58.1619 42.1062 179.2488 153 K 3.9913 8.0621 118.4208 59.4521 31.9539 178.9231 154 E 3.9580 8.4571 119.6855 59.3926 29.5478 178.9404 155 T 3.8026 7.8991 115.8371 66.7771 68.4465 176.7836 156 V 3.2888 8.1022 120.4262 65.7438 31.5521 177.9995 157 R 3.8945 7.8257 118.3344 59.3354 29.9455 178.6930 158 K 3.9658 8.0554 118.3140 59.3485 32.0172 178.9635 159 I 3.7855 7.7254 120.3228 64.8583 37.1088 178.6391 160 G 3.7774 7.9490 106.1025 47.8810 0.0000 175.5702 161 E 4.0131 8.2123 120.7700 59.3116 29.3229 179.1285 162 D 4.3218 8.7335 119.1919 56.9331 40.8159 178.6340 163 A 3.2098 7.7088 121.4259 54.8214 18.2056 179.4166 164 V 3.3476 7.5711 116.4320 66.4334 31.3328 178.1707 165 A 3.9696 7.7147 118.3010 54.1854 18.1161 178.7156 166 R 4.4187 7.0799 115.0076 55.6073 30.6555 177.2377 167 G 3.7957 7.9789 106.7205 45.4455 0.0000 174.0523 168 I 2.4773 7.0324 121.5075 59.9813 37.1292 175.2502 169 F 4.6883 6.1325 119.2013 55.0132 41.0005 174.8075 170 G 3.9827 8.7125 111.4525 45.3225 0.0000 172.5163 171 S 5.0465 8.6369 112.0187 56.3123 65.3772 171.8068 172 P 5.0339 0.0000 0.0000 62.5259 33.2744 174.5566 173 F 5.1887 9.4495 124.1721 56.5265 42.5239 173.4226 174 F 5.6667 8.9929 124.6736 55.6790 42.3333 174.2774 175 L 5.2259 9.1423 124.4191 53.3702 44.9944 175.3425 176 V 4.7400 8.6899 126.5526 60.3573 34.1017 175.7877 177 D 4.5477 9.9494 125.9451 55.5061 38.4514 174.2029 178 D 4.5176 8.4000 114.5489 54.5312 38.8853 173.6507 179 E 4.0328 8.2393 122.4926 53.7637 30.0040 173.0061 180 P 4.7461 0.0000 0.0000 62.2821 32.9630 175.7746 181 F 4.4916 8.9895 121.2311 55.5525 42.5602 173.4108 182 W 4.9865 8.7225 134.8331 56.5227 31.6174 175.2165 183 G 4.0486 9.2845 115.3593 43.4985 0.0000 174.5067 184 W 4.3443 9.0198 132.2688 60.4167 30.8674 176.8326 185 D 3.9540 8.1292 113.6241 53.8280 38.9708 177.2081 186 R 4.2399 7.0612 120.7409 54.9356 29.0380 175.9197 *188 E 3.7910 7.6915 119.5177 55.9484 30.6242 176.1105 *191 A 4.1094 7.8915 124.7090 51.8677 21.1835 179.1832 192 E 4.0385 8.2925 116.1208 58.8698 29.5657 178.8948 193 W 4.0245 8.3242 128.2679 60.5292 30.6853 177.9123 194 I 3.8063 7.7744 117.9550 64.4203 36.6833 178.2558 195 R 4.0711 7.9659 118.1972 59.3816 30.0528 178.8081 196 T 4.1513 7.7490 107.6019 62.4919 69.2429 175.9352 197 G 3.6439 7.3584 109.4573 44.3070 0.0000 173.4342 198 G 2.0000 6.8163 105.9416 43.4158 0.0000 174.2145 199 W 4.4618 6.0790 115.4428 56.3224 28.3459 175.2186 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 2 N 8.42 4.82 0.00 2.76 2.73 0.00 0.00 6.74 6.86 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 3 P 0.00 4.61 0.00 2.13 2.11 0.00 3.74 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 2.13 2.26 0.00 4 I 9.64 4.03 2.01 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.90 0.99 0.00 0.00 5 E 9.33 4.64 0.00 2.33 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 0.00 2.51 2.47 0.00 6 F 9.75 5.21 0.00 2.85 2.83 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 7 W 9.43 4.68 0.00 3.49 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 8 F 8.28 5.27 0.00 3.05 2.63 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 0.00 0.00 0.00 0.00 9 D 8.85 5.16 0.00 2.69 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 10 F 8.90 4.07 0.00 2.92 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 11 S 8.55 4.24 0.00 3.86 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 12 S 8.38 4.98 0.00 4.18 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 13 G 8.68 2.49 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 14 Y 8.01 4.28 0.00 3.36 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 15 A 8.48 4.21 1.55 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 16 F 7.50 3.34 0.00 1.91 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 17 F 7.03 3.95 0.00 2.41 2.71 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 18 A 8.24 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.98 3.98 0.55 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 20 Q 7.42 4.61 0.00 1.76 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 1.78 2.03 0.00 21 R 7.64 4.41 0.00 1.94 1.87 0.00 3.16 0.00 0.00 3.07 7.63 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 I 7.48 3.40 1.29 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.78 0.31 0.00 0.00 23 E 8.23 4.04 0.00 2.12 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 0.00 2.85 2.62 0.00 24 A 7.93 4.00 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 25 L 7.97 3.78 0.00 1.73 1.67 0.80 0.46 0.00 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 26 A 8.08 3.93 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 27 A 8.11 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 28 E 8.21 3.89 0.00 2.09 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 2.33 2.51 0.00 29 L 7.87 4.40 0.00 1.58 1.67 0.82 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.16 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 31 R 8.59 4.82 0.00 1.62 1.84 0.00 3.34 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 32 T 8.37 4.63 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 1.31 0.00 0.00 33 V 8.42 4.94 2.43 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 0.86 0.00 0.00 0.99 0.00 0.00 34 L 9.41 4.88 0.00 1.90 1.65 1.05 1.19 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 35 W 9.36 4.98 0.00 3.52 3.45 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 0.00 0.00 0.00 0.00 36 R 8.40 4.03 0.00 0.67 0.66 0.00 2.48 0.00 0.00 2.94 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 37 P 0.00 3.53 0.00 1.68 0.68 0.00 2.35 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.77 0.00 38 Y 8.51 4.40 0.00 3.06 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 *40 L 8.43 3.92 0.00 1.82 1.70 0.83 0.64 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 *54 S 8.81 4.56 0.00 3.65 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 55 T 7.55 4.25 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 56 P 0.00 4.46 0.00 2.17 2.15 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 2.13 2.20 0.00 57 L 8.13 4.23 0.00 1.75 1.75 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.02 4.12 0.00 1.76 1.81 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.10 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0.00 2.54 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 0.00 0.00 0.00 118 S 7.02 4.53 0.00 3.79 3.84 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 0.00 0.00 0.00 119 D 7.43 4.05 0.00 2.86 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 7.98 4.63 0.00 1.83 1.80 0.00 3.15 0.00 0.00 3.10 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.65 0.00 121 L 7.33 4.29 0.00 1.45 1.43 0.87 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.69 4.73 0.00 2.84 2.58 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 0.00 0.00 0.00 0.00 123 T 8.56 4.08 4.05 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 0.00 0.00 0.91 0.00 0.00 124 A 8.07 4.26 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 0.00 125 S 7.86 4.52 0.00 4.05 3.90 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 0.00 134 P 0.00 5.22 0.00 2.17 2.19 0.00 3.55 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.15 0.00 135 E 7.88 4.58 0.00 1.90 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 0.00 2.21 2.28 0.00 136 V 8.62 4.31 2.23 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 0.91 0.00 0.00 1.06 0.00 0.00 137 G 8.38 4.34 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 0.00 0.00 0.00 138 L 7.13 4.81 0.00 1.85 1.75 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.69 4.12 0.00 2.10 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 2.37 2.54 0.00 140 P 0.00 4.27 0.00 2.17 2.09 0.00 3.69 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 2.12 2.32 0.00 141 E 8.16 3.77 0.00 1.97 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 2.37 2.40 0.00 142 A 7.84 3.78 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 0.00 143 L 7.44 2.66 0.00 1.63 1.65 0.88 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.85 3.78 0.00 1.75 1.62 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.16 4.08 1.20 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 0.00 146 G 7.39 2.71 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 0.00 0.00 0.00 147 I 7.19 3.90 1.86 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 1.55 0.54 0.95 0.00 0.00 148 A 7.21 4.44 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 0.00 149 D 7.52 4.65 0.00 2.79 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 0.00 150 P 0.00 4.28 0.00 2.21 2.09 0.00 3.66 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 151 A 8.18 4.01 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 0.00 152 L 8.35 4.03 0.00 1.98 2.02 1.14 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 153 K 8.06 3.99 0.00 2.07 1.86 0.00 1.86 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.55 7.81 154 E 8.46 3.96 0.00 2.01 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 0.00 2.31 2.50 0.00 155 T 7.90 3.80 4.43 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 1.18 0.00 0.00 156 V 8.10 3.29 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 1.01 0.00 0.00 1.06 0.00 0.00 157 R 7.83 3.89 0.00 1.96 2.06 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 158 K 8.06 3.97 0.00 1.94 1.83 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.66 1.74 7.81 159 I 7.73 3.79 1.77 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 1.40 0.01 0.94 0.00 0.00 160 G 7.95 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 0.00 161 E 8.21 4.01 0.00 2.17 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 2.31 2.42 0.00 162 D 8.73 4.32 0.00 2.81 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 0.00 163 A 7.71 3.21 0.54 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 0.00 0.00 164 V 7.57 3.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.89 0.00 0.00 165 A 7.71 3.97 1.32 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 0.00 0.00 0.00 166 R 7.08 4.42 0.00 1.47 1.78 0.00 3.19 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 167 G 7.98 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 0.00 168 I 7.03 2.48 0.94 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 -0.03 -0.39 0.00 0.00 169 F 6.13 4.69 0.00 2.85 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 0.00 170 G 8.71 3.98 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 0.00 0.00 0.00 171 S 8.64 5.05 0.00 4.10 3.95 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 0.00 172 P 0.00 5.03 0.00 1.89 2.47 0.00 3.97 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 173 F 9.45 5.19 0.00 3.34 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 0.00 174 F 8.99 5.67 0.00 3.07 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 0.00 175 L 9.14 5.23 0.00 2.05 1.75 1.06 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 176 V 8.69 4.74 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 1.12 0.00 0.00 1.04 0.00 0.00 177 D 9.95 4.55 0.00 2.98 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 0.00 178 D 8.40 4.52 0.00 2.88 2.84 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 0.00 0.00 0.00 179 E 8.24 4.03 0.00 1.65 1.46 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 0.00 1.47 1.47 0.00 180 P 0.00 4.75 0.00 1.97 2.10 0.00 3.27 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 1.68 1.91 0.00 181 F 8.99 4.49 0.00 2.89 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 0.00 182 W 8.72 4.99 0.00 3.07 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 0.00 183 G 9.28 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 184 W 9.02 4.34 0.00 3.64 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 D 8.13 3.95 0.00 2.61 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 R 7.06 4.24 0.00 2.00 2.01 0.00 3.40 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 *188 E 7.69 3.79 0.00 1.85 1.82 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 2.05 2.09 0.00 *191 A 7.89 4.11 1.23 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 0.00 0.00 192 E 8.29 4.04 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.40 0.00 193 W 8.32 4.02 0.00 3.42 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 0.00 194 I 7.77 3.81 2.00 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 1.74 0.72 0.92 0.00 0.00 195 R 7.97 4.07 0.00 1.80 1.98 0.00 3.13 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 196 T 7.75 4.15 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 1.33 0.00 0.00 197 G 7.36 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 0.00 198 G 6.82 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 W 6.08 4.46 0.00 3.33 3.07 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 * Residues marked with a * may have inaccurate shift predictions.