NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3834 8.3049 120.3417 55.6913 33.2365 174.9781 2 R 4.3984 8.4781 123.8868 53.7874 30.6376 173.6087 3 S 4.5781 8.2216 113.0104 57.2724 67.0313 174.1423 4 R 4.6133 8.4848 118.4536 58.6632 30.5557 176.9292 5 T 5.0694 7.5373 113.1598 62.1260 70.9571 173.8108 6 A 4.5128 8.4155 122.9887 51.2564 23.3040 174.8565 7 N 5.2555 8.7915 118.9208 52.0215 40.2216 174.8284 8 R 4.7787 9.0495 121.8262 54.5846 35.1742 174.1669 9 S 4.9141 8.2012 115.0220 57.2289 65.5381 173.6048 10 G 3.9744 8.3202 112.1434 46.4774 0.0000 170.9262 11 I 5.1624 8.1753 121.4694 59.2187 40.0043 175.5625 12 V 4.2154 8.7984 127.9648 63.4408 31.8879 176.0447 13 I 4.5277 8.7388 121.7450 61.0479 38.8266 175.6259 14 R 4.6383 7.5722 122.4025 55.5139 33.5309 173.3990 15 R 5.0695 8.2781 125.0568 55.1125 33.4254 173.9113 16 R 4.5967 8.9175 126.0123 54.6781 33.8243 173.4626 17 V 4.7124 8.3535 126.1570 61.3731 32.9662 175.3748 18 T 4.1837 8.7646 123.1240 60.9196 67.9890 173.3087 19 P 4.3961 0.0000 0.0000 65.6806 31.3798 177.4227 20 A 4.0854 7.8913 118.3754 53.0161 18.5629 177.9643 21 G 3.9728 8.6252 104.7662 44.7622 0.0000 173.2761 22 D 4.7814 7.7812 120.1720 53.7979 42.6219 175.4174 23 I 4.5436 8.4399 124.6691 60.6122 38.6553 174.7047 24 I 4.9284 8.8255 129.1437 59.6657 39.3396 175.4589 25 V 5.5079 8.8091 119.4124 58.8117 36.2482 174.4551 26 T 4.9759 8.3844 119.2241 61.8966 71.1116 173.2937 27 L 5.1885 8.8859 125.9052 52.9142 45.1157 175.3142 28 L 4.5470 8.5354 123.1450 53.6791 43.4065 175.9291 29 T 4.5446 8.3480 112.9127 58.7991 72.1431 173.2791 30 P 4.2171 0.0000 0.0000 65.2877 31.3625 177.4840 31 Q 4.3056 7.5405 115.1568 55.2351 29.0397 173.8123 32 G 4.0649 7.7497 104.9168 43.4859 0.0000 173.4139 33 K 4.3660 8.2455 118.2784 56.2072 33.0670 177.1158 34 L 4.5896 8.9147 125.5553 53.4922 45.1555 175.0669 35 K 5.0171 8.6967 125.6462 55.4830 33.6870 175.7608 36 A 4.8669 8.9148 124.6432 50.9915 23.6355 174.6830 37 I 4.9368 8.8329 118.8044 59.2074 41.6520 173.9460 38 A 4.8763 9.0967 131.7427 50.2581 20.6800 176.2183 39 R 4.1918 8.6294 122.4874 56.5615 30.3406 177.5738 40 G 3.8332 9.2808 118.7826 46.3542 0.0000 173.3598 *45 P 4.4169 0.0000 0.0000 62.1764 32.7677 176.7681 46 L 4.3122 7.6584 116.4443 53.9749 41.3672 179.7671 47 S 4.3346 7.9565 114.0224 60.6851 62.6144 174.5168 48 S 4.6938 7.6812 113.3705 56.6435 65.0727 172.9964 49 S 4.5155 8.8455 120.4710 57.4892 63.3594 174.0005 50 L 3.6257 7.7957 118.8629 56.1650 39.5360 174.5545 51 N 4.3636 7.6298 115.9360 52.7844 40.0550 173.4531 52 L 3.8036 8.1113 125.0832 56.7181 42.2859 177.3348 53 F 4.2633 8.5416 122.0516 58.3912 37.8953 175.1499 54 H 4.6926 8.1005 119.0085 55.9099 30.1646 174.0505 55 H 5.2592 9.2039 122.8343 55.6175 30.8642 174.3670 56 V 4.9955 9.5174 119.4836 59.5275 35.9212 174.7907 57 G 4.5559 8.8449 110.5970 44.0585 0.0000 173.1082 58 V 5.1048 9.0148 117.7253 59.4505 36.2945 174.2104 59 Q 5.0111 8.8163 124.1344 54.5672 31.3690 174.6920 60 V 5.0314 8.7963 119.7005 59.7355 35.3657 173.8159 61 Y 5.1038 8.8810 125.2855 56.0003 41.2283 174.2619 62 Q 4.7289 8.6219 128.1859 53.5769 32.4913 174.4315 63 G 4.1764 8.2268 115.8720 42.8431 0.0000 171.2787 64 P 4.3338 0.0000 0.0000 64.5944 31.4360 176.5329 65 H 4.7992 8.0362 114.9575 55.3896 29.4888 173.7374 66 N 5.0054 7.8551 119.2112 50.5345 38.9720 174.8200 67 D 4.4165 9.0870 123.3141 56.0106 39.3632 176.5192 68 L 4.8998 7.4798 117.7219 51.5349 44.6426 176.1879 69 A 4.2244 8.5884 123.7133 52.5411 19.8058 176.0722 70 S 5.0274 9.0850 117.0578 56.5565 64.5657 173.1702 71 V 4.2281 8.9697 128.4382 62.8053 31.2585 175.5129 72 K 4.5346 9.1707 127.5516 57.3784 34.1211 176.7951 73 Q 4.7525 7.8777 116.5149 54.3263 33.3176 174.2220 74 A 5.1720 8.3827 122.5760 50.9689 22.8001 175.5162 75 V 4.6552 9.0513 115.9878 59.0936 35.8417 174.8489 76 L 4.3578 8.5774 126.2743 55.3912 41.9081 176.1137 77 E 4.3883 9.3797 126.4650 57.8665 31.4939 176.2230 78 G 4.1770 7.5909 103.7000 45.9767 0.0000 172.2337 79 A 5.0410 8.6084 120.9187 50.3462 22.9296 176.5136 80 L 4.5831 8.4788 120.0138 51.7878 41.9113 175.5017 81 P 4.4010 0.0000 0.0000 65.7901 31.2589 177.8638 82 T 4.1870 7.8700 107.6670 63.0545 68.7850 175.6759 83 L 4.2545 7.7872 121.3875 56.5414 41.6990 178.0955 84 A 4.3147 7.9766 120.5703 52.8202 18.8231 177.3595 85 E 4.1777 7.8087 118.9754 55.2534 30.4620 175.7495 86 P 4.2478 0.0000 0.0000 65.9869 31.2739 178.3343 87 E 3.9545 8.1587 117.2764 59.3695 29.7023 178.9175 88 R 4.1122 8.0394 117.7708 59.2345 30.1262 178.0976 89 Y 4.0828 8.6114 119.7173 60.6907 38.8160 178.1345 90 A 4.0231 8.1290 121.6368 55.3281 18.3976 179.7082 91 F 4.2418 7.9093 115.8897 60.4637 38.8809 177.8735 92 A 3.7469 8.0820 120.6426 55.1977 18.0357 179.0735 93 H 4.4099 8.3607 117.1305 59.3761 29.8226 177.2415 94 L 4.1083 8.0246 122.0756 58.4838 41.9109 178.8019 95 M 4.3769 8.6266 118.7220 58.4611 31.9567 178.4390 96 A 4.3065 8.5781 120.9087 55.6100 18.6928 179.5511 97 E 4.0478 8.5962 116.9346 59.4124 29.5421 179.2025 98 F 3.8804 8.9790 120.9009 61.5488 39.4887 177.2387 99 A 4.1128 8.5535 120.2165 54.8082 17.8729 179.2041 100 D 4.1067 7.9217 116.0507 57.5788 41.4492 178.0816 101 A 4.0685 7.7430 119.9373 54.7197 18.4095 179.0376 102 L 3.8146 7.4742 118.2893 56.5526 42.8703 177.1047 103 F 4.4089 7.8708 121.3818 56.3052 37.0578 176.9289 104 Q 2.9907 7.2402 117.9688 58.0261 29.3615 177.7436 *106 G 4.0280 8.0348 108.1456 45.9581 0.0000 174.1749 107 E 4.1493 7.8308 117.7682 57.2725 30.3046 180.0753 108 F 3.9329 8.2101 120.3050 57.7215 39.5191 174.8360 109 S 5.0343 7.3894 123.2434 56.3280 66.7170 174.5036 110 E 3.9399 8.4061 120.1805 59.7321 29.0264 179.4227 111 Q 3.9220 7.9428 118.7808 58.9742 29.1852 177.8187 112 A 3.7043 7.5335 121.6349 54.8400 18.1393 179.1855 113 F 4.2356 7.7065 119.2230 61.7600 39.4512 177.1750 114 D 4.2273 8.1929 118.3100 57.1875 40.6382 178.5286 115 L 3.9051 8.0962 121.0881 57.9621 42.2208 178.7022 116 F 4.1099 8.6510 120.8208 61.3477 39.3956 176.8589 117 A 3.7149 7.9976 120.3845 55.1205 18.0004 179.5082 118 A 3.9608 7.9282 119.4786 55.0483 18.3081 179.9837 119 S 4.0366 7.8927 112.9638 61.6157 62.9717 176.8546 120 L 3.7243 7.3551 122.2514 57.3550 41.3036 179.6313 121 R 3.9582 7.9925 118.1499 59.1200 29.9271 179.4132 122 G 3.5369 8.3300 105.6623 47.8702 0.0000 175.7107 123 V 3.4938 7.7501 119.9678 65.7582 31.4830 177.6637 124 A 4.0691 7.8679 119.3920 54.6749 18.2711 177.8139 125 H 4.8117 7.8803 112.1773 56.1977 29.6888 174.9281 126 Q 4.4029 8.0753 118.7601 53.9838 29.5354 175.2200 127 P 4.4078 0.0000 0.0000 65.0431 31.9264 176.1943 128 D 4.8089 7.2770 117.8268 50.5248 41.0481 173.6226 129 P 4.0731 0.0000 0.0000 65.2717 31.4852 178.0108 130 E 2.6291 7.6916 118.3942 58.4915 29.5548 178.4380 131 W 4.2385 8.1897 127.9326 60.5074 30.6739 177.8726 132 V 3.4143 7.5235 117.8653 66.0268 30.8645 177.9032 133 A 4.0215 7.8666 120.3121 54.9766 18.0967 179.5901 134 L 3.3902 7.7511 117.5061 57.7367 41.6129 179.9655 135 V 3.5155 7.1232 117.9411 66.3488 31.3897 178.0489 136 M 4.1171 8.3309 118.7703 58.2819 31.7421 178.9253 137 S 3.9793 8.1611 115.4681 61.7983 62.8078 176.4028 138 Y 3.7627 7.7903 119.3603 60.8151 37.6357 178.6001 139 K 3.9610 8.2467 119.4463 59.5814 32.2055 179.3545 140 L 4.2765 8.3678 119.3556 57.6819 41.3312 179.2193 141 L 3.9691 7.8218 118.3232 57.9452 41.7186 178.8176 142 G 3.9364 7.5901 106.1558 48.6981 0.0000 174.5174 143 L 4.1307 7.4413 116.2616 55.7782 42.0100 176.9274 144 A 4.4465 7.5964 121.8754 50.3863 19.9454 177.4211 145 G 3.8439 8.6704 107.8440 48.9277 0.0000 174.6061 146 V 3.6284 7.4995 118.1482 62.5339 31.8546 175.3111 147 I 4.0708 7.9997 110.6554 59.5093 38.0319 171.9003 148 P 3.8240 0.0000 0.0000 62.3066 31.1364 176.6180 149 Q 4.1293 8.3867 121.9695 56.3790 28.2590 175.9972 150 T 4.4231 8.2520 111.9327 61.1646 70.4216 174.8581 151 A 4.2553 7.8484 123.8966 54.2010 19.4111 177.1980 152 R 5.0598 7.6699 112.6532 54.2154 34.7371 174.7028 153 C 4.2852 9.2869 122.9059 60.1424 31.9934 174.7526 154 A 4.1606 8.7613 128.5388 54.2534 18.4332 178.4557 155 R 4.2789 8.0051 115.3392 58.0487 30.7431 176.7645 156 C 4.4389 8.1122 109.6170 57.6869 30.7945 174.5778 157 G 3.8914 8.1580 108.5547 44.9183 0.0000 173.6780 158 A 4.0877 7.6929 123.1318 51.3456 18.9970 175.6447 159 P 4.6798 0.0000 0.0000 63.7994 32.4253 175.9970 160 D 4.3951 8.7380 119.9597 54.7850 38.4994 172.7505 161 P 4.4793 0.0000 0.0000 63.1572 32.4988 176.3669 162 E 4.6771 8.8027 117.1527 56.2908 31.2971 174.9407 163 H 5.0871 8.0002 116.4205 52.7832 32.3361 171.9784 164 P 4.3251 0.0000 0.0000 63.0924 32.2001 176.0986 165 D 4.8373 8.5872 121.7593 51.3221 41.0035 174.1013 166 P 4.4724 0.0000 0.0000 64.6230 31.9067 177.6551 167 L 4.3814 8.1539 116.7048 55.9037 41.9898 177.3201 168 G 4.0730 8.4512 104.4774 43.8714 0.0000 173.7846 169 G 4.2674 8.7675 107.6026 46.4375 0.0000 174.3510 170 Q 4.7896 8.0408 123.9430 55.7582 30.1269 176.6672 171 L 5.1378 8.5665 125.8463 54.0799 46.0562 174.9864 172 L 5.0952 8.7899 122.4867 53.0282 45.0063 176.2431 173 C 4.7133 8.4409 116.4881 57.2178 30.9359 174.7933 174 S 3.8366 8.4862 115.0481 61.2044 62.4551 176.1227 175 K 4.1388 7.9450 120.5900 58.4266 32.1482 177.9005 176 C 4.3513 7.9457 114.6864 59.6489 29.0922 173.7763 177 A 4.1999 7.2216 122.9005 51.6805 18.7210 177.0947 178 A 4.5052 8.4087 122.3490 51.9694 20.2594 176.8467 179 L 4.7948 7.4303 114.6192 51.5873 44.7430 174.2600 180 P 4.5806 0.0000 0.0000 61.5820 32.1290 174.2474 181 P 4.2760 0.0000 0.0000 62.5352 32.0345 175.8078 182 Y 4.5207 8.1208 119.1333 57.5551 38.6370 174.6714 183 P 4.3551 0.0000 0.0000 62.4991 32.3592 175.5110 184 P 4.2436 0.0000 0.0000 66.0155 31.3536 178.9757 185 A 3.9790 7.9153 118.9419 54.9302 18.3020 179.6729 186 V 3.4476 7.6682 116.3334 66.0717 31.6822 178.0845 187 L 3.9502 7.9706 118.6859 57.9180 41.3591 178.9990 188 D 4.3927 8.3810 118.1582 57.1645 41.0881 178.2193 189 F 4.0484 8.1364 120.7486 61.3610 39.3020 177.0946 190 L 3.6570 7.9071 117.3740 58.0035 41.4404 179.5598 191 R 3.9673 7.8017 116.8300 58.1922 30.2760 176.9812 192 H 4.7051 7.5249 112.9462 54.9793 30.8323 175.3748 193 A 3.4926 8.0189 123.7111 55.0347 18.0544 180.0702 194 V 3.6032 7.5585 113.6262 65.3966 31.8226 176.7883 195 R 4.2922 7.1144 114.1439 57.1329 31.2047 177.0709 196 R 3.8732 7.8433 117.3655 56.6879 30.6391 176.7400 197 T 4.0033 8.2040 114.2329 61.6852 70.7368 175.9069 198 V 3.2478 8.0083 116.0129 64.3944 31.4420 178.7330 199 R 3.6742 7.6526 117.6851 59.3980 29.6912 178.2431 200 A 4.0308 7.8614 119.3925 55.3750 18.6979 179.5618 201 S 4.4374 8.2974 113.6867 61.7071 62.6429 176.8977 202 F 4.9613 8.3277 120.3009 60.5076 38.7442 176.7596 203 E 4.3687 7.9963 116.1466 56.8941 30.7871 176.3150 204 Q 4.6173 7.8144 119.2007 53.7204 29.0310 173.4846 205 P 2.9700 0.0000 0.0000 62.1551 32.2800 176.8311 206 V 3.5377 5.4500 120.8347 61.2019 32.4934 174.1120 207 P 4.2860 0.0000 0.0000 62.4993 31.9342 177.6252 208 S 4.1864 8.4990 115.4083 61.3064 62.7751 176.4517 209 A 4.0425 7.9898 123.4517 54.7268 17.9854 178.1688 210 D 4.6183 8.0592 115.5208 55.2236 41.2709 178.9042 211 R 3.7735 7.6882 119.6822 58.6151 30.0656 176.8922 212 P 4.5086 0.0000 0.0000 65.5964 31.3697 178.3772 213 A 4.1498 8.0890 119.1784 55.0309 18.3089 179.6179 214 L 3.8482 7.3512 117.3086 57.7819 41.6354 179.6353 215 W 4.4496 8.2359 118.9239 59.8936 28.9039 178.8859 216 R 4.0669 8.5280 117.8992 59.1166 29.4650 178.8769 217 A 4.1524 8.1413 120.5176 55.1416 18.3819 179.2074 218 L 3.9838 8.2202 118.8322 58.5257 42.1697 178.8200 219 E 4.3763 8.8040 119.2714 59.2987 29.6096 178.6432 220 K 4.0445 8.5065 119.7518 59.5662 32.3406 178.4689 221 F 4.4724 8.6574 122.5508 60.8554 39.2324 177.3013 222 V 3.4176 8.3504 118.0555 66.1019 31.1193 177.9271 223 T 3.9663 7.9172 114.5070 66.9679 68.4555 176.3832 224 V 3.7012 7.6457 118.4682 65.4988 31.6413 177.2267 225 Q 4.1606 7.5672 115.5954 54.9404 29.6354 175.7779 226 V 4.2741 7.3297 119.5441 60.4767 33.9620 175.3933 227 G 3.6972 8.3498 115.1527 46.0414 0.0000 173.5469 228 G 4.0489 8.6500 109.9345 46.0409 0.0000 177.2568 *229 V 3.9821 7.7622 118.4545 60.4095 31.4956 176.6899 230 H 4.9031 8.6325 116.5437 56.7019 30.7434 173.8363 231 S 4.1565 9.0709 122.5404 61.5026 63.2896 177.3450 232 W 4.3124 8.6036 129.4377 60.5448 30.9478 177.8441 233 R 3.2778 7.6009 117.2281 59.2246 29.6375 179.0601 234 Q 3.9360 7.5155 114.4312 58.2432 28.6978 177.1445 235 L 4.2105 7.3406 115.5279 54.3514 42.2959 177.0352 236 V 2.9300 6.5147 119.4005 61.3978 31.9399 174.0347 237 P 4.0909 0.0000 0.0000 62.9002 31.0209 176.1193 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 M 8.30 4.38 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 2 R 8.48 4.40 0.00 1.86 1.86 0.00 3.25 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 3 S 8.22 4.58 0.00 3.89 3.77 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 4 R 8.48 4.61 0.00 1.70 1.63 0.00 3.54 0.00 0.00 3.02 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.40 0.00 5 T 7.54 5.07 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 1.28 0.00 0.00 6 A 8.42 4.51 1.18 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 0.00 0.00 7 N 8.79 5.26 0.00 2.61 2.76 0.00 0.00 6.75 7.66 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 8 R 9.05 4.78 0.00 1.63 1.70 0.00 3.20 0.00 0.00 3.06 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 9 S 8.20 4.91 0.00 3.82 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 10 G 8.32 3.97 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 0.00 0.00 0.00 11 I 8.18 5.16 2.24 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.99 1.29 0.00 0.00 12 V 8.80 4.22 2.22 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 1.05 0.00 0.00 0.95 0.00 0.00 13 I 8.74 4.53 1.94 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.75 0.95 0.00 0.00 14 R 7.57 4.64 0.00 1.87 1.72 0.00 3.16 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 15 R 8.28 5.07 0.00 1.72 1.65 0.00 3.30 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 16 R 8.92 4.60 0.00 1.88 1.68 0.00 3.12 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 17 V 8.35 4.71 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 0.82 0.00 0.00 0.92 0.00 0.00 18 T 8.76 4.18 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 1.32 0.00 0.00 19 P 0.00 4.40 0.00 2.07 2.12 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 20 A 7.89 4.09 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.63 3.97 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 0.00 0.00 0.00 22 D 7.78 4.78 0.00 2.62 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 23 I 8.44 4.54 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.56 0.90 0.00 0.00 24 I 8.83 4.93 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.68 0.94 0.00 0.00 25 V 8.81 5.51 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 0.64 0.00 0.00 0.92 0.00 0.00 26 T 8.38 4.98 4.19 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 0.00 0.00 1.11 0.00 0.00 27 L 8.89 5.19 0.00 1.67 1.48 0.91 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.54 4.55 0.00 1.49 0.90 -0.31 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.35 4.54 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 1.11 0.00 0.00 30 P 0.00 4.22 0.00 1.94 2.09 0.00 3.34 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.60 0.00 31 Q 7.54 4.31 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.16 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 32 G 7.75 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.25 4.37 0.00 1.56 1.64 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.19 1.01 7.81 34 L 8.91 4.59 0.00 1.61 1.40 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.70 5.02 0.00 1.65 1.68 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.72 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.39 7.81 36 A 8.91 4.87 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 37 I 8.83 4.94 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.46 0.98 0.00 0.00 38 A 9.10 4.88 1.24 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 0.00 0.00 39 R 8.63 4.19 0.00 1.72 1.92 0.00 3.27 0.00 0.00 3.23 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 40 G 9.28 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 *45 P 0.00 4.42 0.00 2.13 2.02 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.59 0.00 46 L 7.66 4.31 0.00 1.66 1.49 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 47 S 7.96 4.33 0.00 3.64 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.68 4.69 0.00 3.90 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.85 4.52 0.00 4.02 3.94 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 50 L 7.80 3.63 0.00 1.80 1.75 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 51 N 7.63 4.36 0.00 2.61 2.11 0.00 0.00 6.66 6.66 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 52 L 8.11 3.80 0.00 1.34 0.85 0.01 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.54 4.26 0.00 3.36 3.13 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 54 H 8.10 4.69 0.00 3.31 3.27 0.00 5.62 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 55 H 9.20 5.26 0.00 3.38 3.27 0.00 5.54 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 9.52 5.00 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 0.82 0.00 0.00 0.98 0.00 0.00 57 G 8.84 4.56 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 0.00 0.00 0.00 58 V 9.01 5.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.98 0.00 0.00 59 Q 8.82 5.01 0.00 2.21 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 60 V 8.80 5.03 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 0.78 0.00 0.00 0.99 0.00 0.00 61 Y 8.88 5.10 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 62 Q 8.62 4.73 0.00 1.90 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.30 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 63 G 8.23 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 0.00 0.00 0.00 64 P 0.00 4.33 0.00 2.01 2.09 0.00 3.73 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 1.72 1.90 0.00 65 H 8.04 4.80 0.00 3.22 3.37 0.00 5.65 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 7.86 5.01 0.00 2.97 2.97 0.00 0.00 6.66 8.59 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 67 D 9.09 4.42 0.00 2.80 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 68 L 7.48 4.90 0.00 1.52 1.58 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.59 4.22 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 9.08 5.03 0.00 3.95 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 71 V 8.97 4.23 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 0.84 0.00 0.00 0.94 0.00 0.00 72 K 9.17 4.53 0.00 1.75 1.83 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.56 7.81 73 Q 7.88 4.75 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 74 A 8.38 5.17 1.22 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 0.00 0.00 0.00 75 V 9.05 4.66 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.95 0.00 0.00 76 L 8.58 4.36 0.00 1.68 1.60 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 77 E 9.38 4.39 0.00 2.13 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 78 G 7.59 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 0.00 0.00 0.00 79 A 8.61 5.04 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 80 L 8.48 4.58 0.00 1.73 1.58 0.92 0.93 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 81 P 0.00 4.40 0.00 2.30 2.36 0.00 3.74 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 82 T 7.87 4.19 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 1.25 0.00 0.00 83 L 7.79 4.25 0.00 1.94 1.91 0.76 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 84 A 7.98 4.31 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.81 4.18 0.00 2.17 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 2.35 2.45 0.00 86 P 0.00 4.25 0.00 2.15 2.10 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 87 E 8.16 3.95 0.00 2.08 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 2.64 2.51 0.00 88 R 8.04 4.11 0.00 2.19 2.00 0.00 3.43 0.00 0.00 3.52 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 89 Y 8.61 4.08 0.00 3.36 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 90 A 8.13 4.02 1.21 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 0.00 0.00 91 F 7.91 4.24 0.00 3.16 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 92 A 8.08 3.75 0.45 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 0.00 0.00 93 H 8.36 4.41 0.00 3.26 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.02 4.11 0.00 1.91 2.07 0.75 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 95 M 8.63 4.38 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 3.02 0.00 96 A 8.58 4.31 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 0.00 0.00 0.00 0.00 0.00 97 E 8.60 4.05 0.00 2.41 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 2.55 2.49 0.00 98 F 8.98 3.88 0.00 3.36 3.42 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 99 A 8.55 4.11 1.39 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 0.00 100 D 7.92 4.11 0.00 2.82 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 0.00 101 A 7.74 4.07 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.47 3.81 0.00 0.63 1.08 0.42 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 103 F 7.87 4.41 0.00 3.23 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 0.00 104 Q 7.24 2.99 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.73 0.00 0.00 0.00 0.00 0.00 2.37 1.99 0.00 *106 G 8.03 4.03 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 0.00 0.00 0.00 107 E 7.83 4.15 0.00 2.11 1.88 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 2.26 2.11 0.00 108 F 8.21 3.93 0.00 2.86 2.79 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 0.00 109 S 7.39 5.03 0.00 3.98 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 0.00 110 E 8.41 3.94 0.00 2.06 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 2.40 2.56 0.00 111 Q 7.94 3.92 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 112 A 7.53 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 F 7.71 4.24 0.00 3.28 3.32 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 0.00 114 D 8.19 4.23 0.00 2.88 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 0.00 115 L 8.10 3.91 0.00 1.84 1.80 0.88 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 116 F 8.65 4.11 0.00 3.38 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.00 3.71 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.93 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.89 4.04 0.00 4.03 4.19 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 0.00 0.00 0.00 120 L 7.36 3.72 0.00 1.67 1.56 0.87 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 121 R 7.99 3.96 0.00 2.04 2.06 0.00 3.18 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 122 G 8.33 3.54 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 0.00 123 V 7.75 3.49 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.93 0.00 0.00 124 A 7.87 4.07 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 H 7.88 4.81 0.00 3.21 3.29 0.00 5.65 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Q 8.08 4.40 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.12 0.00 127 P 0.00 4.41 0.00 2.14 2.17 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 1.94 1.93 0.00 128 D 7.28 4.81 0.00 2.61 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.07 0.00 2.21 2.28 0.00 3.83 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 130 E 7.69 2.63 0.00 1.99 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 0.00 2.70 2.79 0.00 131 W 8.19 4.24 0.00 3.58 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 V 7.52 3.41 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.55 0.00 0.00 133 A 7.87 4.02 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 0.00 134 L 7.75 3.39 0.00 1.18 1.00 0.57 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.12 3.52 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 0.91 0.00 0.00 0.20 0.00 0.00 136 M 8.33 4.12 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.94 0.00 137 S 8.16 3.98 0.00 3.77 3.02 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 0.00 138 Y 7.79 3.76 0.00 2.91 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 0.00 139 K 8.25 3.96 0.00 2.02 1.87 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.55 7.81 140 L 8.37 4.28 0.00 2.18 2.02 1.39 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.82 3.97 0.00 1.86 1.81 0.78 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.59 3.94 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 0.00 0.00 0.00 143 L 7.44 4.13 0.00 1.89 1.82 0.92 0.78 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 0.00 144 A 7.60 4.45 0.69 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 0.00 0.00 145 G 8.67 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 0.00 0.00 0.00 146 V 7.50 3.63 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 1.12 0.00 0.00 0.72 0.00 0.00 147 I 8.00 4.07 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.56 0.92 0.00 0.00 148 P 0.00 3.82 0.00 1.77 1.23 0.00 3.57 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 1.81 1.04 0.00 149 Q 8.39 4.13 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.70 0.00 0.00 0.00 0.00 0.00 2.50 2.31 0.00 150 T 8.25 4.42 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 1.14 0.00 0.00 151 A 7.85 4.26 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 0.00 152 R 7.67 5.06 0.00 1.66 1.79 0.00 3.24 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 153 C 9.29 4.29 0.00 2.97 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 0.00 154 A 8.76 4.16 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 0.00 155 R 8.01 4.28 0.00 1.79 1.96 0.00 3.23 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 156 C 8.11 4.44 0.00 3.11 3.02 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 0.00 157 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 0.00 158 A 7.69 4.09 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 0.00 159 P 0.00 4.68 0.00 2.06 2.00 0.00 3.84 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 160 D 8.74 4.40 0.00 2.82 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 0.00 161 P 0.00 4.48 0.00 2.27 2.08 0.00 3.82 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 2.01 2.13 0.00 162 E 8.80 4.68 0.00 1.94 1.91 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 2.29 2.42 0.00 163 H 8.00 5.09 0.00 3.17 3.05 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 P 0.00 4.33 0.00 1.80 1.82 0.00 3.40 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.97 0.00 165 D 8.59 4.84 0.00 2.78 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 0.00 166 P 0.00 4.47 0.00 2.11 2.16 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 167 L 8.15 4.38 0.00 1.67 1.76 0.94 0.83 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 0.00 168 G 8.45 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 0.00 169 G 8.77 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 0.00 0.00 0.00 170 Q 8.04 4.79 0.00 2.15 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.56 0.00 0.00 0.00 0.00 0.00 2.45 2.70 0.00 171 L 8.57 5.14 0.00 1.59 1.56 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 172 L 8.79 5.10 0.00 1.58 1.55 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 173 C 8.44 4.71 0.00 3.12 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 0.00 174 S 8.49 3.84 0.00 4.03 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 K 7.95 4.14 0.00 1.74 1.89 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.51 7.81 176 C 7.95 4.35 0.00 2.92 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 0.00 177 A 7.22 4.20 1.17 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 0.00 0.00 0.00 178 A 8.41 4.51 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 0.00 179 L 7.43 4.79 0.00 1.55 1.52 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 180 P 0.00 4.58 0.00 2.14 2.06 0.00 3.48 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 181 P 0.00 4.28 0.00 2.01 1.79 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 182 Y 8.12 4.52 0.00 2.93 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 0.00 183 P 0.00 4.36 0.00 2.09 2.00 0.00 3.83 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 2.17 2.19 0.00 184 P 0.00 4.24 0.00 2.15 2.12 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 2.12 2.18 0.00 185 A 7.92 3.98 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 0.00 186 V 7.67 3.45 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 0.56 0.00 0.00 0.84 0.00 0.00 187 L 7.97 3.95 0.00 2.04 1.73 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 188 D 8.38 4.39 0.00 2.76 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 0.00 189 F 8.14 4.05 0.00 3.25 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 0.00 190 L 7.91 3.66 0.00 1.54 1.63 0.55 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 191 R 7.80 3.97 0.00 1.51 1.58 0.00 3.17 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 192 H 7.52 4.71 0.00 3.10 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 A 8.02 3.49 -0.21 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 0.00 0.00 194 V 7.56 3.60 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 0.80 0.00 0.00 0.98 0.00 0.00 195 R 7.11 4.29 0.00 1.86 1.92 0.00 3.21 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 196 R 7.84 3.87 0.00 1.93 1.78 0.00 3.25 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 197 T 8.20 4.00 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 0.00 198 V 8.01 3.25 1.49 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 0.62 0.00 0.00 0.36 0.00 0.00 199 R 7.65 3.67 0.00 1.77 1.85 0.00 3.19 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 200 A 7.86 4.03 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 0.00 201 S 8.30 4.44 0.00 4.01 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 F 8.33 4.96 0.00 3.17 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 E 8.00 4.37 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 2.40 2.58 0.00 204 Q 7.81 4.62 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 205 P 0.00 2.97 0.00 1.51 1.07 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 206 V 5.45 3.54 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 0.64 0.00 0.00 0.77 0.00 0.00 207 P 0.00 4.29 0.00 2.13 1.86 0.00 3.50 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 2.02 1.95 0.00 208 S 8.50 4.19 0.00 4.06 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 0.00 209 A 7.99 4.04 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 0.00 210 D 8.06 4.62 0.00 2.78 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 0.00 211 R 7.69 3.77 0.00 2.08 2.15 0.00 3.26 0.00 0.00 3.41 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 212 P 0.00 4.51 0.00 2.24 2.21 0.00 3.75 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 213 A 8.09 4.15 1.45 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 0.00 0.00 214 L 7.35 3.85 0.00 1.40 1.38 0.23 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 215 W 8.24 4.45 0.00 3.59 3.22 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 0.00 216 R 8.53 4.07 0.00 2.12 2.12 0.00 3.37 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.90 0.00 217 A 8.14 4.15 1.58 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 0.00 0.00 218 L 8.22 3.98 0.00 1.93 2.15 0.42 0.80 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 0.00 219 E 8.80 4.38 0.00 2.36 2.34 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 2.46 2.51 0.00 220 K 8.51 4.04 0.00 2.12 2.09 0.00 1.81 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.68 1.58 7.81 221 F 8.66 4.47 0.00 3.26 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 0.00 222 V 8.35 3.42 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 0.81 0.00 0.00 1.08 0.00 0.00 223 T 7.92 3.97 4.49 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 1.29 0.00 0.00 224 V 7.65 3.70 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 0.78 0.00 0.00 1.01 0.00 0.00 225 Q 7.57 4.16 0.00 1.52 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.36 0.00 0.00 0.00 0.00 0.00 1.66 1.16 0.00 226 V 7.33 4.27 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 0.65 0.00 0.00 0.67 0.00 0.00 227 G 8.35 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 0.00 0.00 0.00 228 G 8.65 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 *229 V 7.76 3.98 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 0.93 0.00 0.00 230 H 8.63 4.90 0.00 3.34 3.73 0.00 5.61 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 S 9.07 4.16 0.00 4.13 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 0.00 232 W 8.60 4.31 0.00 3.59 3.19 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 0.00 0.00 0.00 233 R 7.60 3.28 0.00 1.84 1.88 0.00 3.54 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.95 0.00 234 Q 7.52 3.94 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.77 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 235 L 7.34 4.21 0.00 1.51 1.50 0.75 0.70 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 0.00 236 V 6.51 2.93 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 0.36 0.00 0.00 -0.34 0.00 0.00 237 P 0.00 4.09 0.00 1.50 1.72 0.00 2.20 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.65 0.00 * Residues marked with a * may have inaccurate shift predictions.