NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2984 8.2549 120.8625 56.3063 31.1620 178.1743 3 K 4.2843 8.8299 116.9743 55.9520 33.3786 169.3812 4 V 4.9187 8.6676 120.9219 60.9732 34.4210 174.2582 5 I 4.6603 8.8876 128.5249 59.5690 39.9841 174.6753 6 I 5.0523 8.4343 126.3652 59.3035 40.6049 175.0162 7 K 4.4625 8.5879 125.8650 54.4982 34.3432 176.2759 8 E 4.1627 9.0905 127.9229 57.2836 29.8242 175.8027 9 N 4.6872 7.6226 113.1584 53.0074 41.7667 171.4410 10 P 5.2812 0.0000 0.0000 61.1995 34.1323 174.9193 11 S 4.6251 8.3470 116.7940 57.2528 65.5004 174.8403 12 E 4.2567 8.9117 118.4380 59.6097 29.1550 179.0536 13 E 4.0159 7.8520 117.3336 59.7368 29.5723 179.2975 14 E 3.9569 8.1958 117.4546 59.5600 29.6684 179.0383 15 I 3.5229 7.7954 119.6341 64.4831 37.2041 178.2306 16 K 3.9529 7.9153 119.5533 59.5909 32.0097 178.4038 17 E 3.9880 8.0548 118.2391 59.6849 29.3654 179.5363 18 L 4.0938 8.2439 119.2108 57.5369 41.6580 179.6010 19 L 3.9485 8.4073 119.3272 57.9307 41.6380 179.2227 20 D 4.3667 8.1085 118.7635 57.2215 40.7696 178.4207 21 L 3.9353 8.3914 120.9967 58.3713 41.9588 179.0426 22 A 4.0265 8.2077 120.7004 55.0938 18.4721 179.2101 23 E 3.8553 8.7408 118.2856 59.1249 29.4754 178.7826 24 K 3.9258 8.3285 118.9344 59.8019 32.4602 177.8477 25 H 4.6618 8.0930 112.9714 54.8580 29.4929 175.0510 26 G 3.6983 7.7043 107.6026 46.5642 0.0000 173.8249 27 G 3.9972 8.1125 106.2540 44.6987 0.0000 173.9920 28 V 4.4857 8.3641 120.0323 61.4235 33.3421 174.6912 29 V 4.6033 8.5340 128.2566 62.1192 33.2654 174.5880 30 T 4.9321 9.1073 124.5070 61.9392 71.6579 172.7451 31 I 4.7925 8.4722 128.1632 59.5220 40.0283 174.7485 32 F 5.2121 9.2659 125.5833 55.9888 41.0206 174.7824 33 A 4.8360 8.7504 123.9404 50.6677 23.2236 175.1976 34 R 4.7936 8.1838 122.8759 56.6131 31.6542 175.2607 35 C 5.1571 8.4013 119.2323 57.8111 33.7205 172.1006 36 K 5.0396 8.8734 117.4999 55.1435 36.3713 175.2050 37 V 4.9657 8.3434 119.7423 61.4540 34.8600 173.8689 38 H 5.4165 9.2254 123.7278 54.1825 32.6402 171.7814 39 Y 5.2008 9.4306 124.0366 55.8003 42.2846 174.0157 40 E 4.5657 8.3941 124.9909 55.0227 33.3882 174.5407 41 G 4.4454 8.7260 113.5255 44.9593 0.0000 173.3284 42 R 3.9320 9.6815 120.8886 58.4012 30.7175 174.2541 43 A 4.8302 7.8066 118.6693 49.9771 22.1772 173.2762 44 K 5.0895 8.5936 118.4743 55.0103 34.4254 175.8670 45 S 5.0547 9.2341 121.5138 56.7386 67.0974 172.3992 46 E 5.2326 8.6271 116.7819 54.8729 33.0239 174.4018 47 L 4.7973 9.0195 120.0495 52.7247 45.7160 177.3971 48 G 4.3079 8.6247 110.1643 45.6537 0.0000 172.4362 49 E 5.0197 8.2731 117.9239 56.1195 30.4820 176.5037 50 G 4.0649 8.1895 107.7189 46.0216 0.0000 171.4867 51 D 5.4605 8.8446 120.4489 53.7460 41.7342 176.5525 52 R 4.9701 9.1449 121.4522 54.5808 35.3923 173.9366 53 I 4.7592 9.1042 121.6234 59.5941 40.1402 174.8301 54 I 4.7378 8.4117 127.1687 59.4206 40.5058 174.3860 55 I 4.7328 8.4559 128.0701 59.3907 40.1347 174.5821 56 I 4.8150 8.7834 128.1361 59.5313 39.8860 174.9975 57 K 4.7513 9.1143 127.1541 54.0700 34.0406 176.0350 58 P 4.2373 0.0000 0.0000 65.9084 31.4521 177.1909 59 D 4.5559 8.0590 115.0435 53.5725 39.6431 177.4791 60 G 4.0627 8.4710 109.1155 45.0014 0.0000 174.3348 61 S 4.5746 8.2800 116.9161 59.1349 64.1540 173.2899 62 F 5.2760 9.4256 126.0744 56.5249 42.6493 173.3327 63 L 5.2552 8.5885 124.9520 53.0587 46.2323 175.4174 64 I 4.8572 8.8743 123.3673 59.9553 40.2247 174.0895 65 H 5.1779 9.6835 125.2047 54.1245 31.6976 174.3858 66 Q 4.6447 8.3974 120.9746 54.8921 31.1106 175.7936 67 N 4.9515 8.6537 117.6899 53.2515 37.6633 174.9642 68 K 4.3443 8.0195 117.2143 58.1546 34.5078 176.3975 69 K 4.5843 7.6445 115.3632 54.6360 34.6775 175.9747 70 R 4.0432 7.8990 118.5424 59.8143 30.0615 177.5995 71 E 4.0607 7.8864 116.1078 55.2030 30.0375 175.0288 72 P 4.1935 0.0000 0.0000 62.6091 32.0512 176.6153 73 V 4.0207 8.9938 120.1059 64.3841 32.2722 175.9791 74 N 5.1553 8.0997 116.4784 52.1230 43.0099 173.4051 75 W 5.7076 7.9289 116.8702 56.0498 31.4938 173.3775 76 Q 4.6552 9.7199 121.8286 53.8465 32.3953 172.4801 77 P 4.9456 0.0000 0.0000 61.7202 33.1309 173.7869 78 P 4.3588 0.0000 0.0000 64.7307 31.5280 176.8076 79 G 4.1095 9.0577 110.5743 45.1756 0.0000 173.4446 80 S 4.6880 7.3793 114.8145 57.1328 64.5476 173.5449 81 K 4.5370 8.6134 124.5862 55.0430 34.0224 175.1216 82 V 4.7150 8.3185 126.1564 61.7492 33.5545 174.8303 83 T 4.9045 8.2784 121.7823 62.1040 73.1988 172.6333 84 F 5.8747 8.5184 124.9359 55.8460 42.4314 175.0909 85 K 3.7943 7.8198 126.0783 56.1135 32.2149 175.4845 86 E 4.2015 7.2815 119.6479 54.8537 28.8250 173.7826 87 N 5.2341 7.5764 114.1746 51.4633 40.5598 173.8311 88 S 5.5365 8.4739 116.2182 56.6320 66.2525 172.5972 *90 I 4.1930 7.9820 119.3514 61.3298 39.0549 174.1902 91 S 4.9054 8.5180 125.7225 56.6521 65.6962 173.1159 92 I 4.5171 8.3067 125.7870 58.8531 39.1480 175.5999 93 R 4.9269 8.2695 128.8180 56.4089 30.5433 177.0760 94 R 4.3154 7.7458 114.7739 57.1658 29.8328 177.3375 95 R 4.2569 8.2010 116.9377 55.2932 28.7657 175.3338 96 P 4.7147 0.0000 0.0000 61.6836 33.0211 173.8038 97 Y 4.8988 8.2292 119.9719 56.2159 40.4670 174.6113 98 E 4.3578 8.3503 125.1573 54.5456 34.5446 174.1183 99 R 4.5882 8.7243 124.8409 54.2547 33.0658 173.5094 100 L 5.0514 8.5526 129.1761 53.2268 44.0896 174.9160 101 E 4.8314 9.4479 127.7819 54.3717 32.8188 174.7122 102 V 4.8154 9.1018 127.6789 61.1727 33.3322 174.4429 103 E 4.4967 9.0669 128.4236 55.4042 30.5836 176.0500 104 I 4.1531 8.0759 126.3929 61.5637 37.1066 176.2431 105 I 4.0852 8.4026 128.3666 63.3114 38.5920 176.0642 106 E 4.3214 7.6751 124.5489 54.7773 31.5029 172.4148 107 P 4.6681 0.0000 0.0000 61.9659 31.1510 175.5844 108 Y 4.4312 8.4798 123.9278 60.9246 38.6011 176.4185 109 S 4.8831 7.8877 110.6805 57.6585 67.1011 175.1887 110 L 5.2829 8.1355 125.9529 53.2714 45.5881 175.2182 111 V 4.9368 8.9445 125.1254 61.2125 34.6882 174.0879 112 V 4.6804 8.8788 128.4308 61.6414 33.6218 174.4247 113 F 5.4010 9.3211 129.8204 56.5834 41.5645 173.3699 114 L 4.6870 9.1018 127.5612 53.7516 39.7801 175.5349 115 A 4.0833 7.3842 124.3881 49.7797 20.7550 177.3881 116 E 4.1342 8.3049 121.6152 55.7464 30.3352 176.8495 117 D 4.3827 8.5217 121.8979 55.0847 41.4311 175.5788 118 Y 4.5249 8.4254 123.3493 56.1572 39.5384 174.5789 119 E 4.2682 7.9857 127.1262 54.6053 31.3396 178.0074 120 E 3.9860 8.1594 122.2271 55.7759 29.1877 176.0235 *126 S 4.3140 8.2970 116.0842 59.0804 64.0994 173.7877 127 E 4.1230 8.6486 119.3065 58.7437 29.8947 178.5080 128 A 4.1944 8.1836 121.9808 55.3682 18.7125 180.3400 129 E 4.2825 7.9367 114.8190 56.5525 28.9614 179.1654 *131 A 4.4238 8.2033 123.2835 52.4734 20.7892 179.4987 132 N 4.3751 8.3844 113.3058 56.5646 38.5361 177.3466 133 L 3.9967 7.8627 121.0646 58.2758 42.0908 179.1447 134 I 3.7732 7.7042 119.2900 64.4650 36.9019 178.3328 135 F 3.9193 8.4201 117.8812 60.2928 38.7804 177.0950 136 E 4.3215 8.1988 118.4491 58.1412 30.8090 176.7634 137 N 4.9384 8.3145 117.9601 49.9872 39.8133 172.3613 138 P 4.7122 0.0000 0.0000 63.9414 31.1865 177.4572 139 R 4.4838 7.8891 118.5897 58.7761 29.7722 178.4594 140 V 3.3422 7.5991 111.6272 63.9239 31.4557 178.1497 141 I 3.8512 7.3730 118.7942 61.6827 37.9101 175.6602 142 E 4.6459 6.7652 115.9301 55.2225 33.8487 174.9837 143 E 4.1649 8.8549 122.8389 57.3434 29.7674 176.7608 144 G 3.8370 8.7537 115.3666 46.6195 0.0000 171.9170 145 F 4.8221 8.2632 121.5043 56.7893 40.7864 174.8768 146 K 4.1024 8.5490 126.3932 53.6737 33.6478 173.6331 147 P 3.9007 0.0000 0.0000 62.5977 31.5955 175.1982 148 I 4.2305 8.3472 121.8771 62.6263 39.4906 175.2261 149 Y 5.0488 7.9486 118.1645 56.1682 41.4566 174.6606 150 R 5.0120 8.6101 120.1945 54.9386 33.1707 175.6577 151 E 3.7205 8.6068 121.8418 57.1786 27.7843 175.7880 152 K 4.1579 8.2061 120.0551 54.6965 33.0780 174.0920 153 P 4.6150 0.0000 0.0000 62.7357 31.7397 175.6474 154 I 4.6475 8.6667 122.7905 58.9293 40.8912 176.7802 155 R 3.9415 8.7423 120.2568 59.4674 29.8556 178.4395 156 H 5.0946 8.8427 112.3462 53.1360 29.8827 174.3572 157 G 4.0543 6.2733 107.4848 45.5146 0.0000 171.3720 158 I 4.7622 7.5261 119.8667 59.3482 40.5447 174.5992 159 V 3.6536 8.0800 125.1825 61.1309 33.0138 175.3458 160 D 4.4106 9.0489 128.4377 57.3231 41.2852 176.9596 161 V 5.1228 7.2628 116.3346 60.2870 35.8332 172.5996 *163 G 3.6860 8.1676 105.8310 46.1266 0.0000 171.7463 164 V 5.1615 8.0695 118.6360 60.0910 35.1905 175.8228 165 D 5.0004 8.9743 123.6627 51.6074 41.5832 176.8950 166 K 3.8475 7.9000 119.8421 60.0839 31.8356 176.9785 167 D 4.5704 8.2095 114.3785 54.1932 40.8276 177.2949 168 G 3.9388 8.2535 107.5387 45.3979 0.0000 173.8929 169 N 4.5955 8.3270 117.7740 52.9354 40.1061 174.5361 170 I 4.2676 7.9881 122.9747 61.2622 38.4421 175.0239 171 V 4.7616 8.7112 127.7673 61.1211 33.3925 174.7956 172 V 4.2466 9.0545 128.9013 61.8038 33.1084 174.3046 173 L 5.1601 9.0462 128.3376 52.9750 44.3711 174.8580 174 E 4.8450 8.8140 124.8508 54.6183 31.5837 174.3501 175 L 5.1907 9.2614 128.4779 53.3514 42.9504 176.3733 176 K 5.0407 8.9958 123.5196 54.7136 35.2706 177.2027 177 R 4.4374 8.7930 117.3064 56.1597 30.6902 175.6577 178 R 4.6798 7.5287 117.0465 53.7044 32.9728 174.9021 179 K 4.1574 8.6464 117.2994 57.6195 32.4695 176.9700 180 A 4.3354 9.3786 128.1840 51.9371 19.6609 176.8311 181 D 4.9645 8.4770 122.6779 51.7367 42.5769 176.9324 182 L 3.9225 8.5550 118.6095 58.6602 41.8237 178.2970 183 H 4.0411 8.2343 117.4188 59.0957 29.6426 176.5684 184 A 3.9817 8.1751 121.3595 55.4402 18.2665 179.4209 185 V 3.6787 7.2714 114.8386 66.3728 31.9262 178.0436 186 S 4.2262 8.0892 114.8131 61.4173 62.4497 176.5192 187 Q 3.4471 7.9934 118.3765 57.0660 28.4543 177.5558 *189 K 4.1479 7.8819 120.5484 56.2783 34.1309 177.5362 190 R 3.8528 7.7092 118.2929 59.7724 29.7756 178.0243 191 Y 4.3791 7.2020 116.3639 61.0758 37.9125 178.6320 192 V 3.6266 7.8398 118.5647 66.2044 31.7130 177.4078 193 D 4.3801 8.5207 118.9597 57.5353 39.1782 178.6758 194 S 4.1559 8.2613 113.4408 61.7887 62.3802 176.4099 195 L 4.5082 8.1408 121.2622 57.4620 41.4958 179.5488 196 K 4.8321 8.5724 120.4623 59.0327 31.8321 178.7477 197 E 4.2126 8.3708 116.7687 57.8292 29.3509 177.5408 198 E 4.3185 7.3825 116.7553 57.1120 31.2250 176.2638 199 Y 4.6368 8.6233 112.9620 58.0352 39.6481 175.4095 200 G 3.8399 8.2266 106.3454 44.1593 0.0000 173.6302 201 E 4.1372 8.5314 117.7793 58.1205 30.5909 177.5710 202 N 4.8343 7.8525 118.5144 52.2992 36.9128 173.6460 203 V 4.6371 7.4640 117.8704 61.1026 35.1537 175.0260 204 R 4.6696 9.3930 126.9831 54.4369 33.2085 175.4218 205 G 4.3829 8.6009 109.2204 44.6897 0.0000 171.7667 206 I 4.9432 8.6887 128.1004 59.1275 39.9368 174.8391 207 L 4.5850 9.0070 130.9130 54.4471 43.3292 175.5093 208 V 4.5929 8.8453 127.8913 61.4726 33.1447 174.3618 209 A 5.3582 8.0061 128.0674 51.0076 22.7218 175.1933 210 P 4.3111 0.0000 0.0000 65.3360 31.8578 176.4612 211 S 4.8512 7.7651 111.2934 58.1769 65.6140 174.8214 212 L 5.0741 8.0653 118.6789 54.3709 43.0643 175.8126 213 T 3.9569 8.7207 117.6082 63.7067 69.4572 175.1453 214 E 3.9230 9.0082 123.9973 59.5703 29.5985 179.3370 215 G 3.6182 8.1136 104.9370 47.7123 0.0000 175.1383 216 A 3.9342 7.7987 122.5203 54.9609 18.5687 179.2191 217 K 3.6586 8.0596 117.9562 59.7303 32.0444 178.6083 218 K 3.8609 8.2094 119.7904 59.4932 32.0197 178.6332 219 L 4.0482 7.9927 120.0811 57.8557 42.1801 178.9261 220 L 4.1172 8.0734 119.2206 57.7609 41.4667 178.9742 221 E 3.9250 8.0274 118.2371 59.6169 29.3191 179.4263 222 K 3.8208 8.1785 118.1957 58.7821 32.1771 177.0357 223 E 4.5899 8.2437 116.6082 55.1296 30.6603 176.2268 224 G 3.8722 7.8562 105.9756 46.2191 0.0000 172.9716 225 L 4.8433 7.6193 117.6830 52.8026 44.6271 175.1815 226 E 4.8824 9.2260 119.7037 54.6531 33.3454 174.7929 227 F 5.4415 8.6363 121.9379 56.6888 42.9429 174.0061 228 R 4.1977 7.2404 122.9907 54.3324 33.6215 173.5744 229 K 4.4648 8.2535 127.7667 55.6951 33.0953 175.5780 230 L 4.5167 8.6355 128.7265 54.0642 45.5475 173.9491 231 E 4.6850 8.6935 125.8335 53.8208 31.2068 173.8079 232 P 4.2110 0.0000 0.0000 62.1915 31.1864 174.4711 233 P 4.3970 0.0000 0.0000 63.2437 30.7870 176.0343 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 R 8.25 4.30 0.00 1.80 1.11 0.00 3.20 0.00 0.00 3.24 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 3 K 8.83 4.28 0.00 1.97 2.12 0.00 1.76 0.00 0.00 1.96 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.53 1.56 7.81 4 V 8.67 4.92 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 0.80 0.00 0.00 0.78 0.00 0.00 5 I 8.89 4.66 1.91 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 1.25 0.73 0.93 0.00 0.00 6 I 8.43 5.05 1.87 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 1.24 0.62 0.90 0.00 0.00 7 K 8.59 4.46 0.00 1.89 1.66 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.40 7.81 8 E 9.09 4.16 0.00 1.96 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 2.29 2.26 0.00 9 N 7.62 4.69 0.00 2.75 2.64 0.00 0.00 6.93 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 10 P 0.00 5.28 0.00 2.09 2.00 0.00 3.90 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 1.89 1.95 0.00 11 S 8.35 4.63 0.00 3.95 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.91 4.26 0.00 2.11 2.17 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 2.56 2.48 0.00 13 E 7.85 4.02 0.00 2.11 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 2.38 2.41 0.00 14 E 8.20 3.96 0.00 2.36 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 2.42 2.49 0.00 15 I 7.80 3.52 1.53 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 1.25 0.58 -0.11 0.00 0.00 16 K 7.92 3.95 0.00 2.14 1.94 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.64 7.81 17 E 8.05 3.99 0.00 2.32 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 2.36 2.51 0.00 18 L 8.24 4.09 0.00 1.75 1.70 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.41 3.95 0.00 1.62 1.71 0.77 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.11 4.37 0.00 2.95 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 21 L 8.39 3.94 0.00 1.97 1.87 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.21 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.74 3.86 0.00 2.01 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 0.00 2.31 2.33 0.00 24 K 8.33 3.93 0.00 1.93 1.73 0.00 1.73 0.00 0.00 1.27 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.56 7.81 25 H 8.09 4.66 0.00 3.20 3.31 0.00 5.80 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.70 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 27 G 8.11 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 28 V 8.36 4.49 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.89 0.00 0.00 29 V 8.53 4.60 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 0.86 0.00 0.00 0.93 0.00 0.00 30 T 9.11 4.93 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 31 I 8.47 4.79 1.77 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 1.19 0.64 0.96 0.00 0.00 32 F 9.27 5.21 0.00 3.12 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 33 A 8.75 4.84 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 34 R 8.18 4.79 0.00 2.12 1.65 0.00 3.21 0.00 0.00 3.44 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 35 C 8.40 5.16 0.00 3.18 3.01 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 36 K 8.87 5.04 0.00 1.88 1.95 0.00 1.26 0.00 0.00 1.60 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.56 7.81 37 V 8.34 4.97 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 0.94 0.00 0.00 0.97 0.00 0.00 38 H 9.23 5.42 0.00 3.08 3.14 0.00 5.61 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 39 Y 9.43 5.20 0.00 2.92 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 40 E 8.39 4.57 0.00 1.67 1.68 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 2.15 2.14 0.00 41 G 8.73 4.45 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 0.00 42 R 9.68 3.93 0.00 1.82 2.02 0.00 3.21 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 43 A 7.81 4.83 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 44 K 8.59 5.09 0.00 1.73 1.69 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.39 7.81 45 S 9.23 5.05 0.00 3.93 3.96 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 46 E 8.63 5.23 0.00 1.97 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 2.19 2.34 0.00 47 L 9.02 4.80 0.00 1.52 1.55 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.62 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 49 E 8.27 5.02 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.19 0.00 50 G 8.19 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 51 D 8.84 5.46 0.00 2.65 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 52 R 9.14 4.97 0.00 1.75 1.85 0.00 3.11 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 53 I 9.10 4.76 1.78 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 1.17 0.98 0.45 0.00 0.00 54 I 8.41 4.74 1.70 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.67 0.45 0.00 0.00 55 I 8.46 4.73 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.63 0.86 0.00 0.00 56 I 8.78 4.82 1.84 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 0.90 0.48 1.04 0.00 0.00 57 K 9.11 4.75 0.00 1.80 1.72 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.41 7.81 58 P 0.00 4.24 0.00 2.03 2.14 0.00 3.67 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 2.03 2.33 0.00 59 D 8.06 4.56 0.00 2.85 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 60 G 8.47 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 61 S 8.28 4.57 0.00 3.89 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 62 F 9.43 5.28 0.00 3.09 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 63 L 8.59 5.26 0.00 1.56 1.51 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.87 4.86 2.06 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.27 0.95 0.00 0.00 65 H 9.68 5.18 0.00 3.05 3.17 0.00 5.78 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.40 4.64 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.03 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 67 N 8.65 4.95 0.00 2.87 2.97 0.00 0.00 5.67 7.13 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 68 K 8.02 4.34 0.00 1.68 1.84 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.38 7.81 69 K 7.64 4.58 0.00 1.74 1.89 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.41 7.81 70 R 7.90 4.04 0.00 1.90 1.93 0.00 3.23 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 71 E 7.89 4.06 0.00 1.94 1.75 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 0.00 2.22 2.27 0.00 72 P 0.00 4.19 0.00 2.44 1.86 0.00 3.56 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.87 0.00 73 V 8.99 4.02 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 0.71 0.00 0.00 1.02 0.00 0.00 74 N 8.10 5.16 0.00 2.66 2.65 0.00 0.00 6.70 7.68 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 75 W 7.93 5.71 0.00 3.27 3.16 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 76 Q 9.72 4.66 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.91 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 77 P 0.00 4.95 0.00 2.23 2.30 0.00 3.79 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 2.06 0.00 78 P 0.00 4.36 0.00 2.10 2.24 0.00 3.71 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 2.08 2.24 0.00 79 G 9.06 4.11 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 0.00 0.00 0.00 80 S 7.38 4.69 0.00 3.91 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.61 4.54 0.00 1.90 1.64 0.00 1.51 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.42 7.81 82 V 8.32 4.72 2.15 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 1.01 0.00 0.00 1.05 0.00 0.00 83 T 8.28 4.90 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 1.23 0.00 0.00 84 F 8.52 5.87 0.00 2.87 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 1.59 1.67 0.00 94 R 7.75 4.32 0.00 1.82 1.97 0.00 3.21 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 95 R 8.20 4.26 0.00 1.92 2.36 0.00 3.37 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 96 P 0.00 4.71 0.00 2.15 2.06 0.00 3.48 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 1.94 2.07 0.00 97 Y 8.23 4.90 0.00 2.92 2.85 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 98 E 8.35 4.36 0.00 1.64 1.50 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 2.06 2.12 0.00 99 R 8.72 4.59 0.00 1.38 1.51 0.00 3.07 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.39 0.00 100 L 8.55 5.05 0.00 1.61 1.25 1.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 101 E 9.45 4.83 0.00 1.99 1.90 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 2.30 2.26 0.00 102 V 9.10 4.82 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 1.02 0.00 0.00 1.17 0.00 0.00 103 E 9.07 4.50 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 104 I 8.08 4.15 1.97 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 1.30 0.67 0.95 0.00 0.00 105 I 8.40 4.09 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.53 0.90 0.00 0.00 106 E 7.68 4.32 0.00 1.93 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 1.94 1.52 0.00 107 P 0.00 4.67 0.00 2.11 2.07 0.00 3.75 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 108 Y 8.48 4.43 0.00 3.10 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 0.00 109 S 7.89 4.88 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 0.00 110 L 8.14 5.28 0.00 1.75 1.46 0.84 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.94 4.94 2.24 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 0.98 0.00 0.00 1.09 0.00 0.00 112 V 8.88 4.68 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.00 0.00 0.00 113 F 9.32 5.40 0.00 3.00 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 0.00 114 L 9.10 4.69 0.00 1.57 1.59 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.38 4.08 0.25 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 0.00 116 E 8.30 4.13 0.00 1.95 1.89 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 2.29 2.30 0.00 117 D 8.52 4.38 0.00 2.62 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.43 4.52 0.00 2.89 2.90 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 0.00 133 L 7.86 4.00 0.00 1.87 1.69 0.94 1.41 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 0.00 134 I 7.70 3.77 2.05 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 1.63 0.58 0.96 0.00 0.00 135 F 8.42 3.92 0.00 3.02 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 0.00 136 E 8.20 4.32 0.00 2.24 2.17 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 2.34 2.34 0.00 137 N 8.31 4.94 0.00 2.76 2.62 0.00 0.00 7.21 7.26 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 0.00 138 P 0.00 4.71 0.00 2.21 2.20 0.00 3.92 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.87 0.00 139 R 7.89 4.48 0.00 1.88 2.07 0.00 3.23 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 140 V 7.60 3.34 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 0.84 0.00 0.00 0.95 0.00 0.00 141 I 7.37 3.85 1.67 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.38 0.21 0.00 0.00 142 E 6.77 4.65 0.00 1.75 1.79 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 2.12 2.07 0.00 143 E 8.85 4.16 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 144 G 8.75 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 0.00 145 F 8.26 4.82 0.00 2.92 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 0.00 146 K 8.55 4.10 0.00 1.36 1.44 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.20 1.36 7.81 147 P 0.00 3.90 0.00 0.49 1.31 0.00 3.21 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.53 0.00 148 I 8.35 4.23 1.32 0.00 0.00 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 1.08 0.58 -0.12 0.00 0.00 149 Y 7.95 5.05 0.00 2.99 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 0.00 150 R 8.61 5.01 0.00 1.65 1.82 0.00 3.22 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.42 0.00 151 E 8.61 3.72 0.00 2.03 1.96 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 2.27 2.24 0.00 152 K 8.21 4.16 0.00 1.84 1.63 0.00 1.26 0.00 0.00 1.05 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.04 1.22 7.81 153 P 0.00 4.61 0.00 2.02 1.94 0.00 3.58 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 1.98 2.07 0.00 154 I 8.67 4.65 1.88 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 1.29 0.75 1.01 0.00 0.00 155 R 8.74 3.94 0.00 1.65 1.74 0.00 3.06 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 156 H 8.84 5.09 0.00 3.23 3.28 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 G 6.27 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 0.00 158 I 7.53 4.76 1.79 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.69 0.87 0.00 0.00 159 V 8.08 3.65 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 1.03 0.00 0.00 0.66 0.00 0.00 160 D 9.05 4.41 0.00 2.91 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 V 7.26 5.12 2.17 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 1.42 0.00 0.00 1.13 0.00 0.00 *163 G 8.17 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 0.00 0.00 0.00 164 V 8.07 5.16 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 0.76 0.00 0.00 0.97 0.00 0.00 165 D 8.97 5.00 0.00 2.98 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 0.00 166 K 7.90 3.85 0.00 1.79 1.93 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.47 7.81 167 D 8.21 4.57 0.00 2.71 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 0.00 168 G 8.25 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 0.00 169 N 8.33 4.60 0.00 3.02 2.76 0.00 0.00 7.02 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 0.00 170 I 7.99 4.27 1.74 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.33 0.83 0.00 0.00 171 V 8.71 4.76 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 0.58 0.00 0.00 0.99 0.00 0.00 172 V 9.05 4.25 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 1.09 0.00 0.00 0.99 0.00 0.00 173 L 9.05 5.16 0.00 1.71 1.53 0.87 0.23 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 0.00 174 E 8.81 4.84 0.00 2.26 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 2.30 2.39 0.00 175 L 9.26 5.19 0.00 1.57 1.62 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 176 K 9.00 5.04 0.00 1.72 1.72 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.55 7.81 177 R 8.79 4.44 0.00 1.92 2.05 0.00 3.01 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 178 R 7.53 4.68 0.00 1.82 1.93 0.00 3.26 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 179 K 8.65 4.16 0.00 1.65 1.79 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.48 7.81 180 A 9.38 4.34 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 0.00 181 D 8.48 4.96 0.00 2.81 2.85 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 0.00 182 L 8.55 3.92 0.00 1.77 1.72 0.93 0.84 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 0.00 183 H 8.23 4.04 0.00 3.23 3.46 0.00 5.75 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 0.00 184 A 8.18 3.98 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 0.00 185 V 7.27 3.68 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 0.86 0.00 0.00 0.94 0.00 0.00 186 S 8.09 4.23 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 0.00 187 Q 7.99 3.45 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.39 0.00 0.00 0.00 0.00 0.00 2.21 2.10 0.00 *189 K 7.88 4.15 0.00 1.89 1.93 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.42 7.81 190 R 7.71 3.85 0.00 1.86 1.66 0.00 3.11 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 191 Y 7.20 4.38 0.00 3.04 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 0.00 192 V 7.84 3.63 2.24 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 0.93 0.00 0.00 0.99 0.00 0.00 193 D 8.52 4.38 0.00 2.83 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 0.00 194 S 8.26 4.16 0.00 4.08 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 0.00 195 L 8.14 4.51 0.00 2.00 1.86 1.03 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 196 K 8.57 4.83 0.00 1.95 1.90 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.65 1.50 7.81 197 E 8.37 4.21 0.00 2.13 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 2.37 2.50 0.00 198 E 7.38 4.32 0.00 1.83 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 1.47 1.98 0.00 199 Y 8.62 4.64 0.00 2.90 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 0.00 200 G 8.23 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 0.00 201 E 8.53 4.14 0.00 1.94 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 2.30 2.41 0.00 202 N 7.85 4.83 0.00 2.72 3.06 0.00 0.00 6.52 7.68 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 0.00 203 V 7.46 4.64 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 0.91 0.00 0.00 1.00 0.00 0.00 204 R 9.39 4.67 0.00 1.73 1.92 0.00 3.42 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 205 G 8.60 4.38 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 0.00 206 I 8.69 4.94 1.71 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.15 0.74 0.00 0.00 207 L 9.01 4.58 0.00 1.92 1.77 1.07 0.74 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 0.00 208 V 8.85 4.59 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 0.78 0.00 0.00 0.78 0.00 0.00 209 A 8.01 5.36 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 0.00 0.00 0.00 0.00 0.00 0.00 210 P 0.00 4.31 0.00 2.11 2.35 0.00 3.98 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 2.20 2.10 0.00 211 S 7.77 4.85 0.00 3.81 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 0.00 212 L 8.07 5.07 0.00 1.65 1.41 0.60 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 213 T 8.72 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 0.00 214 E 9.01 3.92 0.00 2.04 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 2.35 2.41 0.00 215 G 8.11 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.80 3.93 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 0.00 217 K 8.06 3.66 0.00 1.68 1.91 0.00 1.57 0.00 0.00 1.44 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.37 7.81 218 K 8.21 3.86 0.00 2.14 1.80 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.47 7.81 219 L 7.99 4.05 0.00 1.64 1.67 0.94 1.01 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 0.00 220 L 8.07 4.12 0.00 1.93 1.86 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 221 E 8.03 3.93 0.00 2.20 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 2.33 2.41 0.00 222 K 8.18 3.82 0.00 1.80 2.03 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 223 E 8.24 4.59 0.00 2.20 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 224 G 7.86 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 0.00 225 L 7.62 4.84 0.00 1.53 1.75 0.92 0.90 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 0.00 226 E 9.23 4.88 0.00 1.81 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 2.21 2.21 0.00 227 F 8.64 5.44 0.00 2.93 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 0.00 228 R 7.24 4.20 0.00 1.64 1.33 0.00 3.03 0.00 0.00 2.96 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.39 0.00 229 K 8.25 4.46 0.00 1.90 1.68 0.00 1.95 0.00 0.00 1.67 0.00 0.00 2.72 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.73 7.81 230 L 8.64 4.52 0.00 1.51 1.40 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 231 E 8.69 4.69 0.00 1.89 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 232 P 0.00 4.21 0.00 2.19 2.13 0.00 3.82 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 2.01 1.98 0.00 233 P 0.00 4.40 0.00 2.20 2.13 0.00 3.81 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 * Residues marked with a * may have inaccurate shift predictions.