NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.7679 8.3093 122.8232 58.2019 40.1983 173.8779 4 T 4.0639 7.5569 117.7691 58.4509 70.5007 172.6033 5 P 3.4214 0.0000 0.0000 63.1533 32.5069 178.1400 6 A 3.8292 7.7417 119.0254 52.7896 16.4642 176.6062 7 N 4.2615 8.3214 112.1765 55.7289 36.1909 174.8639 8 R 4.1273 7.7024 116.6863 56.1469 30.8101 176.4454 9 A 4.7249 8.3969 124.2022 50.3087 22.2942 174.8339 10 Y 4.7663 8.9768 123.3426 56.9242 39.2957 174.2075 11 P 3.7945 0.0000 0.0000 62.6322 32.1043 176.2740 12 Y 4.1865 6.9887 117.3427 61.0404 38.1730 176.3890 13 T 4.4087 8.1837 118.1235 61.9490 69.5002 174.0372 14 R 4.7042 8.2809 125.9053 54.1381 31.6098 176.5682 15 L 4.2096 8.5335 123.6339 56.8734 42.1011 179.6172 16 R 4.0951 7.9506 117.6144 58.3534 29.9758 178.7420 17 R 3.9045 7.9359 118.6587 59.4962 29.9285 178.7356 18 N 4.3136 8.0831 113.8878 55.9603 38.6203 176.7393 19 R 4.1374 7.4476 116.9359 57.2253 30.4134 178.1142 20 R 4.0188 7.7105 119.0958 57.8783 30.7229 176.0256 21 D 4.9253 6.9527 116.8123 51.4179 44.9337 175.7268 22 D 4.3413 8.9973 121.7935 57.7277 41.0805 178.9440 23 F 4.2396 8.2876 114.6353 60.1716 37.8209 177.3798 24 S 3.7494 6.2587 113.9969 60.5004 62.7490 176.3816 25 R 3.8267 7.7068 121.9003 59.1215 29.5272 179.1476 26 R 3.9356 7.8984 116.9535 59.3328 30.1991 178.7139 27 L 4.1534 7.7534 117.3397 57.4443 41.7448 179.1606 28 V 4.1780 7.3762 109.1219 59.9519 32.1345 176.2725 29 R 3.8739 7.0767 120.1427 56.9090 30.1192 176.1603 30 E 4.2517 8.7608 124.8920 58.4732 30.1114 176.5749 31 N 5.1035 7.7216 113.6334 51.6422 42.7271 173.9686 32 V 4.4601 7.9926 113.3625 59.3503 35.3484 175.1144 33 L 4.4488 8.4397 125.8194 54.5808 43.0023 175.7154 34 T 4.7830 8.9219 114.9831 59.3424 72.1070 175.2534 35 V 3.6918 8.2614 114.2232 64.4487 31.6364 178.5602 36 D 4.4587 7.6965 118.9987 56.8830 40.7772 176.9515 37 D 4.5882 8.1453 117.7722 54.6274 41.3619 175.3613 38 L 5.0720 7.6195 119.9528 52.8919 43.8763 175.9843 39 I 4.5200 8.5247 124.0142 59.3001 40.6160 174.1756 40 L 4.5340 8.1678 129.6508 53.0849 43.0378 173.9231 41 P 4.9081 0.0000 0.0000 62.5251 32.2906 176.3886 42 V 4.3719 8.7789 116.3593 59.6473 36.1358 174.3974 43 F 5.2888 8.7521 123.5243 56.6240 40.8766 174.6510 44 V 4.8823 8.8658 123.6660 61.2201 33.8536 174.7575 45 L 4.8383 8.9999 128.0943 53.3793 43.9391 175.7748 46 D 4.5048 8.4894 120.8155 55.0700 42.3651 176.5052 47 G 3.8517 9.3010 107.7986 44.2936 0.0000 172.6031 48 V 4.6504 7.4150 115.9221 61.1939 34.8548 175.1978 49 N 4.1621 9.2551 122.8997 55.2411 37.8597 173.9019 50 Q 4.7851 8.2940 116.0703 54.1963 32.2076 176.6827 51 R 4.8126 8.5251 122.1502 55.1444 33.8867 174.1489 52 E 4.7124 9.1344 124.4605 54.2609 32.4227 176.5137 53 S 4.6086 8.8354 120.4130 58.6286 64.4257 173.8534 54 I 4.2969 7.8227 121.7134 59.1415 39.2019 174.7243 55 P 4.2027 0.0000 0.0000 65.7021 31.1536 178.0449 56 S 4.4033 7.9598 110.3038 59.8065 63.9023 173.2261 57 M 5.1326 7.7933 120.9240 52.4707 32.0690 172.2083 58 P 4.3995 0.0000 0.0000 64.1308 32.3323 177.4026 59 G 4.0479 9.1602 111.0945 45.0001 0.0000 172.8188 60 V 4.4205 7.9195 120.6558 61.1693 33.4702 174.2820 61 E 5.1390 8.8130 126.4270 54.6047 32.5114 175.7501 62 R 4.6913 9.0144 122.9044 55.8807 32.0594 175.5241 63 L 5.3378 8.9598 122.7500 52.6387 45.5011 176.6777 64 S 4.9360 8.6635 118.3130 57.7904 64.0466 175.5237 65 I 3.7646 8.5696 121.6005 64.5408 36.6633 178.2938 66 D 4.3582 8.1034 119.5337 56.7827 39.0789 178.6549 67 Q 3.9773 8.0110 118.9918 58.2125 28.7379 178.0081 68 L 3.9507 8.1241 121.5462 58.2449 41.9371 179.0114 69 L 4.1960 7.9603 117.7433 57.8826 41.6956 179.4465 70 I 3.9909 7.4835 119.6795 64.6033 37.0030 178.3669 71 E 3.4409 8.1127 119.3163 59.0472 29.0415 179.2460 72 A 3.4764 7.5048 120.4057 54.0592 18.2479 179.2541 73 E 3.8518 7.5209 117.9152 59.6806 29.4983 179.0645 74 E 3.9656 7.6643 118.4108 58.6501 29.8897 178.1932 75 W 4.5007 7.3366 119.0189 60.0397 29.0713 178.6508 76 V 3.5620 8.0241 117.9203 65.9634 30.7583 177.8944 77 A 4.0126 7.7637 119.3586 55.1200 18.3013 179.0901 78 L 4.2189 8.2195 116.0520 55.7052 41.8211 178.3329 79 G 3.8880 8.0510 107.2589 45.1465 0.0000 173.5137 80 I 3.7066 7.3623 120.5570 60.7460 37.3265 174.5668 81 P 4.3564 0.0000 0.0000 65.3223 31.8562 175.7934 82 A 5.0915 7.5442 118.2817 50.5530 22.7548 174.9961 83 L 4.9728 8.8082 119.2487 52.8407 45.1377 175.4731 84 A 4.9319 8.4788 124.0010 50.1953 21.2323 175.4709 85 L 4.6610 8.1351 123.3624 53.7923 43.4356 177.0016 86 F 4.7607 9.0988 122.1534 54.5631 41.5362 172.4120 87 P 4.7815 0.0000 0.0000 62.9240 32.1231 176.8624 88 V 4.0545 8.7957 123.9481 61.7414 31.1711 175.0742 89 T 4.1260 8.1288 124.3505 62.1163 69.3044 173.3277 90 P 4.3016 0.0000 0.0000 62.6456 32.2284 177.3930 91 V 3.6048 8.6231 122.1831 66.0522 31.4708 177.6329 92 E 4.1680 8.0756 115.4229 58.0167 29.7326 177.2834 93 K 4.3150 7.8138 117.9713 56.6179 32.6852 177.0873 94 K 4.4907 7.6480 119.3230 56.3004 32.6864 176.2077 95 S 4.6116 8.8022 116.0859 56.9239 66.2281 175.1853 96 L 3.9451 8.6720 122.5660 57.9600 41.7255 177.7252 97 D 4.8416 7.9909 115.1977 53.5983 41.4265 175.5580 98 A 3.9585 7.9332 119.8166 52.7768 17.0279 180.3521 99 A 3.3081 7.3974 123.2831 56.4140 18.7455 180.7102 100 E 3.5873 7.9359 115.9923 58.8310 29.9462 178.4386 101 A 2.5800 6.9686 121.5235 54.1268 18.2704 177.6687 102 Y 4.6278 6.3385 109.3647 55.5965 38.4394 175.1395 103 N 4.3480 7.4728 120.9668 53.2477 39.1338 174.0839 104 P 4.3521 0.0000 0.0000 64.5784 31.6051 176.7148 105 E 4.5653 8.7245 117.4563 55.8865 29.8871 176.9353 106 G 4.0785 7.8860 108.4860 44.5066 0.0000 175.0500 107 I 3.7252 8.4114 121.5947 64.3967 37.0899 178.6520 108 A 4.0156 8.0396 120.8577 55.2166 17.7717 179.5748 109 Q 3.9183 8.0010 116.0090 59.1527 28.9351 178.9629 110 R 3.9416 8.1773 118.8708 59.2396 30.0563 179.0079 111 A 4.0293 8.4235 120.8759 55.3878 18.2974 179.6044 112 T 3.7988 8.0939 114.3806 67.0509 68.7294 176.7975 113 R 3.9915 8.0471 119.4255 59.3106 30.1680 179.0304 114 A 3.9908 8.0665 120.2949 55.2798 18.4472 179.7687 115 L 4.1719 8.2546 117.7486 58.0309 41.2220 179.9584 116 R 4.0467 8.3527 118.3881 59.0946 29.7298 178.8055 117 E 3.9102 7.8670 117.9585 59.2622 29.7855 178.4209 118 R 3.9239 7.6174 117.0932 57.3514 31.7780 176.3505 119 F 4.9629 8.2684 117.2170 54.5609 39.0810 173.6254 120 P 4.5106 0.0000 0.0000 64.4972 31.7359 177.6344 121 E 4.2653 8.1027 115.2947 56.8714 30.0276 176.0188 122 L 4.2072 7.9920 122.3945 54.0875 42.7490 176.4483 123 G 3.7603 8.8750 114.3340 46.3615 0.0000 172.1959 124 I 4.8079 9.0886 125.6837 59.5264 40.1229 174.6465 125 I 4.6797 8.6315 129.6931 59.8601 38.6074 175.5877 126 T 4.4225 8.4966 118.0978 60.6372 71.2081 173.4500 127 D 4.8515 8.2091 122.6875 52.9719 42.3166 176.0548 128 V 4.2917 8.3236 127.8818 62.6202 32.2330 174.5551 129 A 4.6223 9.0454 127.0857 51.6443 22.1104 175.9867 130 L 4.6546 8.3937 120.1986 55.5168 42.9587 178.5823 131 D 4.6845 7.8755 117.3699 54.6665 39.4163 176.0805 132 P 4.2136 0.0000 0.0000 63.6737 31.5523 176.4225 133 F 4.8935 8.0986 115.9360 57.0452 40.9218 175.4671 134 T 4.7088 7.6488 111.2037 60.8871 69.7084 175.7224 135 T 4.0275 8.4818 113.2148 64.3103 68.9218 174.6380 136 H 4.8478 8.1339 117.1703 55.0525 28.8091 174.4990 137 G 4.0123 7.9679 105.4509 46.4944 0.0000 174.7941 138 Q 4.1277 7.5690 117.6640 56.0785 28.8486 177.2699 139 D 4.2461 8.6056 118.7333 56.5842 41.9680 176.3384 140 G 3.9589 6.9348 103.7912 46.5999 0.0000 172.4056 141 I 4.2129 8.1223 123.2183 60.9650 38.4259 175.4527 142 L 5.0115 8.4164 127.0944 53.6995 43.3365 176.8638 143 D 4.7534 8.9631 123.0342 52.5728 41.3348 176.3907 144 D 4.5833 8.6197 117.3868 56.4165 40.8463 176.7183 145 D 4.6419 8.7548 118.7603 53.7548 41.2131 177.2749 146 G 3.9460 8.2325 107.4645 45.8541 0.0000 173.0058 147 Y 4.4590 7.9207 120.3866 55.9829 39.8763 174.8566 148 V 4.0376 7.3928 125.9887 61.9032 31.1500 175.7089 149 L 4.1559 8.8649 129.4098 54.6062 42.0040 177.4791 150 N 4.3080 8.7090 122.7834 56.9905 39.1089 176.8132 151 D 4.3530 7.9093 119.6262 57.1980 41.2468 178.8371 152 V 3.7704 7.7467 118.3538 66.1728 31.4893 178.1295 153 S 4.2048 7.7749 114.3234 61.6065 62.5593 176.6024 154 I 3.6481 7.7403 122.5312 64.4397 36.7105 177.8938 155 D 4.3216 8.0948 119.7052 57.6727 40.6975 179.3628 156 V 3.6074 7.4331 117.0053 65.8233 31.5400 177.9887 157 L 3.9885 8.1171 118.9854 57.7243 41.3702 179.7785 158 V 3.5133 8.0046 118.3047 66.0418 31.5127 178.1416 159 R 3.7508 7.5911 117.5517 59.2679 29.8520 178.8221 160 Q 3.8424 8.1730 118.8142 59.1471 29.1414 177.9291 161 A 3.9042 8.2552 122.1521 55.3461 18.2940 179.6024 162 L 3.9205 8.0590 117.6160 57.9224 41.1647 179.9638 163 S 4.6438 7.9808 115.5761 61.1530 62.8803 176.3977 164 H 4.2717 8.3137 119.7155 58.6101 28.4741 177.4897 165 A 3.9079 8.0098 122.5614 55.2928 18.1897 179.5205 166 E 3.9484 8.3953 116.9767 59.4049 29.3330 178.9994 167 A 4.2913 7.6943 118.7886 52.8773 18.6039 178.1342 168 G 3.9623 7.7636 105.3756 44.8204 0.0000 173.8999 169 A 4.0762 7.8144 123.0768 52.2689 18.9252 178.5329 170 Q 4.2412 8.6522 121.4394 57.8914 30.4613 176.1699 171 V 4.8554 7.7838 118.7399 61.0349 35.2382 174.6045 172 V 4.8006 9.2457 120.4682 58.7364 34.7884 174.7633 173 A 5.5153 8.9665 126.4583 48.3249 21.0592 172.8079 174 P 4.8155 0.0000 0.0000 63.3857 32.2976 176.9684 175 S 4.0192 8.5488 119.3390 57.7630 62.9972 175.0745 176 D 4.4259 8.0816 120.7199 54.5977 39.7299 175.9837 177 M 3.1992 7.8712 117.7787 56.4067 29.9451 176.5293 178 M 4.4199 8.2679 117.3296 54.3102 33.2926 176.2808 179 D 4.3978 8.7927 123.1390 55.6831 41.7126 177.1596 180 G 3.9588 8.9323 110.3007 46.2886 0.0000 175.5570 181 R 3.9836 7.5337 117.4218 58.8728 29.2918 178.9824 182 I 3.7685 7.7690 120.4860 64.2981 37.1706 178.3834 183 G 3.5970 8.6565 106.5311 46.9387 0.0000 175.6106 184 A 3.9891 7.8567 122.6668 55.0446 18.3514 179.8751 185 I 3.6479 8.0424 118.6700 64.4366 37.1053 178.5994 186 R 3.8468 8.1869 119.7892 59.4650 29.8996 178.1834 187 E 3.9014 8.4066 118.9135 59.1441 29.6212 178.6846 188 A 3.9841 7.9233 120.5192 55.0094 18.3624 179.5594 189 L 3.9765 8.1572 117.7280 57.9796 41.7185 179.5870 190 E 3.9333 8.4672 118.7033 59.6426 29.2338 179.3981 191 S 4.1172 8.3572 113.7211 61.6186 63.0386 176.0149 192 A 4.3486 7.7821 119.8230 51.9445 18.4319 178.1148 193 G 3.7739 7.8270 106.0892 46.1512 0.0000 174.7725 194 H 4.6933 8.0712 119.0872 54.7821 27.5328 176.5560 195 T 4.0101 7.7499 117.5745 66.2625 68.9662 175.6644 196 N 4.7451 7.8686 115.0173 52.6687 39.2458 174.6948 197 V 3.8548 7.3768 120.1364 62.9706 32.0001 176.1552 198 R 4.4036 9.2162 128.1428 56.1893 31.6616 175.8349 199 V 4.6195 8.9706 122.7710 61.6108 34.1159 174.2519 200 M 4.7302 8.7285 129.5192 53.6894 32.7709 174.1348 201 A 4.4307 8.6904 128.6721 51.8825 19.8903 176.2334 202 Y 4.4125 8.7113 120.9133 58.1743 36.8618 176.2021 203 S 4.7579 9.2785 119.9738 59.9721 63.4873 174.2743 204 A 4.5613 7.7686 120.9666 50.2216 21.6242 174.5443 *206 Y 4.5779 8.3349 117.4504 57.4734 39.5312 175.0777 207 A 4.8049 9.1328 124.7864 51.6767 18.5992 177.0306 208 S 4.6561 8.2614 115.7307 56.8965 65.2928 174.1759 209 A 4.0352 8.4441 127.4622 54.3543 18.7503 178.6126 210 Y 4.3867 7.6999 113.0223 59.4502 38.4105 176.5163 211 Y 4.7068 7.5901 117.4182 58.5132 38.9693 177.2084 212 G 3.9967 7.9672 108.3863 47.9901 0.0000 174.0581 213 P 4.3629 0.0000 0.0000 64.0797 31.3751 178.4240 214 F 3.9647 8.3387 119.1991 61.4431 39.2630 177.1452 215 R 4.0633 8.0580 118.6210 58.8517 29.3935 178.6978 216 D 4.2509 7.9654 117.9069 57.4116 40.5854 178.8569 217 A 3.3184 7.5867 120.1934 54.0935 18.2653 179.0782 218 V 3.9023 7.2803 108.2195 60.9032 32.3048 176.9996 219 G 3.9140 7.4617 107.3848 45.0830 0.0000 174.4085 220 S 4.4987 7.6826 116.7447 57.0334 65.1469 172.8587 *228 N 4.6832 8.3314 116.0427 52.7553 38.3293 175.3125 229 K 3.0699 8.3801 117.4251 59.1799 32.1941 179.3459 230 A 3.9280 7.9574 120.3817 54.4597 18.3526 177.9380 231 T 4.4134 7.4054 104.4003 62.6272 69.5905 174.8311 232 Y 4.7015 7.1084 117.2338 58.7261 41.3736 175.8185 233 Q 4.2728 7.3226 119.3327 55.4000 30.2593 175.7129 234 M 4.4567 8.2155 120.6173 54.6922 34.0208 175.2291 235 D 4.7239 8.6215 122.0196 53.7919 41.8595 175.3712 236 P 4.5896 0.0000 0.0000 65.2927 31.6069 177.4596 237 A 4.1547 8.5253 120.4022 53.9409 18.4977 176.9887 238 N 5.0080 8.2919 113.9219 51.9225 40.5427 173.8334 239 S 4.7546 8.7481 116.1041 60.1506 64.7294 175.4198 240 D 4.4798 8.3450 119.6754 57.6593 40.5021 178.2934 241 E 4.0597 8.4663 118.8282 59.4664 29.5222 178.6452 242 A 4.0865 8.1318 120.3209 55.0116 18.3050 179.6272 243 L 4.3009 7.9909 117.2629 58.3673 41.8196 179.4209 244 H 4.2333 8.2166 115.7148 58.7673 28.8634 177.3662 245 E 3.9537 8.2900 120.4127 59.5981 29.2807 179.7750 246 V 3.3982 7.8710 117.7668 65.7160 31.5652 177.6684 247 A 3.6052 7.9892 120.5734 55.1266 18.1274 179.5176 248 A 3.9277 7.8408 118.6563 55.4893 18.3617 179.6407 249 D 4.2585 7.8828 116.9879 57.3236 40.8346 179.0163 250 L 3.9016 8.0306 119.4961 57.8233 41.4316 179.4055 251 A 4.0371 7.8024 119.2625 55.0533 18.4199 178.7562 252 E 4.2481 8.2769 115.3153 56.7302 29.5208 178.0836 253 G 4.0821 7.8340 107.4445 44.8138 0.0000 173.9631 254 A 4.0342 7.7607 122.4968 52.8237 18.7488 178.0147 255 D 4.6768 8.7020 121.9373 56.5438 41.9228 176.9458 256 M 5.1391 7.8144 116.0758 53.6526 36.8853 174.6069 257 V 4.9035 8.7579 114.3147 59.8097 35.6314 174.4113 258 M 5.2213 8.9670 123.2962 53.7971 35.8787 174.0443 259 V 4.9154 8.6452 124.7908 61.3988 34.0180 174.4784 260 K 4.9499 8.6837 127.7318 54.6061 35.5255 174.6447 261 P 4.2299 0.0000 0.0000 63.5955 32.0409 174.2185 262 G 3.9816 9.8012 108.2108 47.3083 0.0000 175.4347 263 M 3.9999 8.8431 119.2239 57.6063 33.0030 176.6310 264 P 4.3403 0.0000 0.0000 64.0678 31.6202 175.8926 265 Y 4.8496 7.9629 115.7642 55.7104 39.5726 177.5322 266 L 4.1877 7.8164 122.5928 57.7566 41.6290 178.7454 267 D 4.3874 8.1165 118.9680 56.6000 39.1638 178.7534 268 I 3.9333 7.7046 120.6739 63.9677 37.2077 178.0480 269 V 3.6649 7.8595 119.2293 66.2188 31.2205 177.9686 270 R 4.4305 8.0623 119.3548 59.1216 29.8798 178.6115 271 R 3.9142 8.1452 117.7841 59.2001 30.0493 179.2710 272 V 3.8204 8.0942 118.0324 65.9309 31.6330 177.9036 273 K 3.9572 8.3151 119.4818 59.7850 31.8411 178.4016 274 D 4.3643 8.1221 117.9238 57.4485 40.7958 178.3206 275 E 3.9204 8.2237 118.1123 58.3400 29.6500 178.2220 276 F 4.7230 7.9320 115.2567 56.0800 40.6968 175.7981 277 R 3.8450 8.1511 116.0987 57.4185 28.0591 175.4374 278 A 4.8210 7.8036 117.3026 49.1266 22.3953 174.8407 279 P 4.5748 0.0000 0.0000 63.5556 32.4961 175.7803 280 T 5.1769 9.1708 122.0717 61.7848 71.3856 173.5780 281 F 5.1225 9.7277 124.8987 55.6725 43.2295 174.5950 282 V 4.8254 8.1966 118.1620 60.6199 34.9942 173.0506 283 Y 4.6361 8.3830 125.4210 56.0522 39.6936 175.3945 284 Q 4.5776 8.9725 130.4480 55.6355 28.9659 176.1211 285 V 4.2350 8.7988 120.5889 60.1464 33.1578 177.6608 286 S 4.1044 9.3030 116.2747 62.1522 62.2193 176.9539 287 G 3.9012 8.4441 109.4956 47.4232 0.0000 175.3914 288 E 4.1217 8.3857 120.5326 59.2831 29.5912 178.4707 289 Y 3.9602 8.4050 119.2801 60.7784 38.7745 178.1172 290 A 4.0271 8.6149 122.1626 55.3943 18.5475 179.5038 291 M 4.0620 8.4193 115.6971 58.7550 31.2055 178.5070 292 H 4.1302 8.3313 117.2111 58.9166 28.9381 177.6004 293 M 4.1173 8.3635 120.8977 58.3385 31.7724 178.9657 294 G 3.5465 8.2197 105.7070 47.9099 0.0000 175.5543 295 A 3.8523 7.9223 123.3669 54.6197 18.3772 179.8667 296 I 3.9559 7.9120 119.9457 64.2640 37.0089 178.6668 297 Q 3.9633 8.0850 117.8990 58.9106 28.6169 178.1143 298 N 4.2298 7.6067 115.1161 53.1469 38.3842 175.7454 299 G 3.9349 7.5643 108.3153 46.2526 0.0000 174.9620 300 W 4.7475 8.2329 121.9714 57.6794 29.7118 177.1125 301 L 4.8141 7.6806 116.9843 52.2936 44.7110 175.9842 302 A 4.1847 8.3763 125.1323 51.8562 19.3006 178.3512 303 E 4.0242 8.7648 119.6792 59.2786 29.5158 179.8088 304 S 4.2242 8.0977 113.8306 60.6615 62.8995 176.5485 305 V 3.6354 7.7890 123.3189 64.5740 30.8769 178.3799 306 I 3.1538 7.5546 120.6704 64.3237 36.8495 178.3839 307 L 3.9851 7.6769 119.1543 57.4715 41.4578 178.9711 308 E 3.8615 8.0607 119.6428 59.3174 29.3381 179.0896 309 S 3.9472 7.8387 113.0418 61.4139 63.1396 176.1469 310 L 4.4514 7.7588 122.1609 57.7051 41.3636 179.3928 311 T 3.8480 8.2444 115.9142 66.4276 68.3465 176.1800 312 A 3.8538 7.7789 122.7194 55.3651 18.1979 179.7481 313 F 4.3355 7.5280 115.9792 60.6312 38.9619 178.1092 314 K 3.9614 8.0710 117.6303 59.5154 31.7523 179.1533 315 R 3.8729 8.0113 117.6319 59.4394 30.4281 178.1395 316 A 4.2083 8.1581 120.0484 52.9540 18.1443 178.1666 317 G 3.9109 7.4187 103.6519 45.1441 0.0000 174.2688 318 A 4.1800 8.1257 123.8252 52.2018 18.8599 177.8030 319 D 4.4086 8.8003 122.7074 56.2713 41.8676 176.9299 320 G 4.1022 6.6486 103.2086 45.0759 0.0000 172.2290 321 I 4.9079 8.6169 121.2294 59.1621 41.3007 174.7198 322 L 4.3514 8.4960 128.1994 54.3661 42.7699 176.1445 323 T 4.7683 8.2652 118.7732 60.7554 70.5190 174.4159 324 Y 3.9517 8.6394 126.1644 60.4887 38.2314 176.7397 325 F 4.8625 8.4408 117.5762 57.9620 39.4259 177.0211 326 A 4.0264 8.0282 124.7976 55.0657 18.0212 180.0573 327 K 3.9321 7.9168 117.4472 59.8288 32.4975 178.8332 328 Q 4.2561 8.3107 117.6148 59.0713 28.7016 178.6989 329 A 3.9988 8.5905 121.8693 55.1116 18.4412 179.5205 330 A 3.9671 8.2030 119.3176 55.2211 18.5366 179.4855 331 E 3.9463 8.3191 117.0460 60.0166 29.4820 179.7865 332 Q 4.1594 8.0246 115.5721 58.0798 28.7942 178.0094 333 L 4.2941 7.5877 119.5916 56.8933 42.0985 178.6710 334 R 4.2215 7.9771 118.0945 58.5908 31.0676 178.0347 335 R 4.1947 7.5472 118.9389 56.3730 27.8652 176.9734 *336 G 3.7279 8.1690 110.7210 45.5325 0.0000 170.3569 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 F 8.31 4.77 0.00 2.93 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 4 T 7.56 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 1.11 0.00 0.00 5 P 0.00 3.42 0.00 2.14 2.18 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 2.11 2.12 0.00 6 A 7.74 3.83 1.19 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 0.00 0.00 7 N 8.32 4.26 0.00 2.86 2.91 0.00 0.00 7.15 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 7.70 4.13 0.00 1.83 1.93 0.00 3.15 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 9 A 8.40 4.72 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 10 Y 8.98 4.77 0.00 2.88 2.82 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 11 P 0.00 3.79 0.00 1.59 0.76 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.37 0.00 12 Y 6.99 4.19 0.00 3.14 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 13 T 8.18 4.41 4.33 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 1.27 0.00 0.00 14 R 8.28 4.70 0.00 1.85 1.89 0.00 3.12 0.00 0.00 3.38 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 15 L 8.53 4.21 0.00 1.65 1.74 0.95 1.03 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 16 R 7.95 4.10 0.00 1.87 1.98 0.00 3.13 0.00 0.00 3.35 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 17 R 7.94 3.90 0.00 1.87 1.98 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 18 N 8.08 4.31 0.00 2.65 2.82 0.00 0.00 6.93 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 19 R 7.45 4.14 0.00 1.90 1.94 0.00 3.15 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 20 R 7.71 4.02 0.00 1.81 2.04 0.00 3.25 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 21 D 6.95 4.93 0.00 2.34 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 22 D 9.00 4.34 0.00 2.80 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 23 F 8.29 4.24 0.00 3.37 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 6.26 3.75 0.00 3.70 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.71 3.83 0.00 1.98 1.96 0.00 3.08 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 26 R 7.90 3.94 0.00 2.01 2.01 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 1.67 1.84 0.00 27 L 7.75 4.15 0.00 1.78 1.76 1.15 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.38 4.18 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 0.69 0.00 0.00 0.97 0.00 0.00 29 R 7.08 3.87 0.00 1.92 1.97 0.00 3.24 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 30 E 8.76 4.25 0.00 1.99 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 2.30 2.43 0.00 31 N 7.72 5.10 0.00 2.63 2.64 0.00 0.00 6.68 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 32 V 7.99 4.46 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 0.71 0.00 0.00 0.93 0.00 0.00 33 L 8.44 4.45 0.00 1.59 1.56 1.01 0.90 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 34 T 8.92 4.78 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 1.21 0.00 0.00 35 V 8.26 3.69 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 0.76 0.00 0.00 0.94 0.00 0.00 36 D 7.70 4.46 0.00 2.61 2.75 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 0.00 0.00 0.00 37 D 8.15 4.59 0.00 2.82 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.62 5.07 0.00 1.49 1.52 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.52 4.52 1.78 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 1.03 1.02 0.75 0.00 0.00 40 L 8.17 4.53 0.00 1.35 1.00 0.62 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.91 0.00 1.37 1.79 0.00 3.07 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.33 0.00 42 V 8.78 4.37 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 0.38 0.00 0.00 0.95 0.00 0.00 43 F 8.75 5.29 0.00 3.03 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 44 V 8.87 4.88 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 0.95 0.00 0.00 1.00 0.00 0.00 45 L 9.00 4.84 0.00 1.70 1.58 1.02 0.76 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 46 D 8.49 4.50 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 9.30 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.41 4.65 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 1.18 0.00 0.00 0.94 0.00 0.00 49 N 9.26 4.16 0.00 2.86 2.82 0.00 0.00 7.00 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.29 4.79 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.50 0.00 0.00 0.00 0.00 0.00 2.33 2.61 0.00 51 R 8.53 4.81 0.00 1.65 2.00 0.00 3.32 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 52 E 9.13 4.71 0.00 1.85 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 2.20 2.25 0.00 53 S 8.84 4.61 0.00 3.75 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.82 4.30 1.76 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.82 0.74 0.00 0.00 55 P 0.00 4.20 0.00 2.00 2.11 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 56 S 7.96 4.40 0.00 4.00 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 57 M 7.79 5.13 0.00 1.87 1.85 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 58 P 0.00 4.40 0.00 2.08 2.03 0.00 3.79 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 2.02 2.10 0.00 59 G 9.16 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 60 V 7.92 4.42 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 1.08 0.00 0.00 0.43 0.00 0.00 61 E 8.81 5.14 0.00 1.95 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 2.24 2.36 0.00 62 R 9.01 4.69 0.00 1.76 1.90 0.00 3.12 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 63 L 8.96 5.34 0.00 1.66 1.60 1.16 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.66 4.94 0.00 4.17 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 65 I 8.57 3.76 1.90 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 1.74 0.65 0.95 0.00 0.00 66 D 8.10 4.36 0.00 2.87 2.94 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 67 Q 8.01 3.98 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 68 L 8.12 3.95 0.00 1.95 1.96 1.25 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.96 4.20 0.00 1.84 1.80 0.92 1.22 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 70 I 7.48 3.99 1.96 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 1.50 0.76 0.85 0.00 0.00 71 E 8.11 3.44 0.00 1.16 1.12 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 2.37 2.40 0.00 72 A 7.50 3.48 0.98 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 73 E 7.52 3.85 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.82 0.00 74 E 7.66 3.97 0.00 1.93 1.76 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 2.35 2.47 0.00 75 W 7.34 4.50 0.00 3.41 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 76 V 8.02 3.56 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 1.13 0.00 0.00 0.60 0.00 0.00 77 A 7.76 4.01 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 78 L 8.22 4.22 0.00 1.87 1.79 1.06 0.91 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 79 G 8.05 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 80 I 7.36 3.71 2.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.59 0.84 0.00 0.00 81 P 0.00 4.36 0.00 2.21 2.31 0.00 3.92 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.05 0.00 82 A 7.54 5.09 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.81 4.97 0.00 1.51 1.42 1.13 0.97 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 84 A 8.48 4.93 1.11 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 85 L 8.14 4.66 0.00 1.36 1.52 0.88 0.65 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 86 F 9.10 4.76 0.00 2.89 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.78 0.00 2.15 2.15 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 88 V 8.80 4.05 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 0.70 0.00 0.00 1.00 0.00 0.00 89 T 8.13 4.13 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 1.32 0.00 0.00 90 P 0.00 4.30 0.00 2.19 1.99 0.00 3.66 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 91 V 8.62 3.60 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 1.01 0.00 0.00 0.91 0.00 0.00 92 E 8.08 4.17 0.00 2.12 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 0.00 2.28 2.27 0.00 93 K 7.81 4.32 0.00 1.97 1.93 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.41 7.81 94 K 7.65 4.49 0.00 1.86 1.90 0.00 1.71 0.00 0.00 1.89 0.00 0.00 3.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.54 7.81 95 S 8.80 4.61 0.00 3.94 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.67 3.95 0.00 1.61 1.75 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 97 D 7.99 4.84 0.00 2.70 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.93 3.96 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 99 A 7.40 3.31 1.15 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 0.00 0.00 100 E 7.94 3.59 0.00 2.09 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 2.54 2.32 0.00 101 A 6.97 2.58 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 6.34 4.63 0.00 2.96 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 0.00 103 N 7.47 4.35 0.00 2.53 2.68 0.00 0.00 7.22 7.73 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 0.00 104 P 0.00 4.35 0.00 2.08 2.10 0.00 3.69 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 2.04 2.13 0.00 105 E 8.72 4.57 0.00 1.99 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 2.24 2.36 0.00 106 G 7.89 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 0.00 0.00 0.00 107 I 8.41 3.73 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.63 1.00 0.00 0.00 108 A 8.04 4.02 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 0.00 109 Q 8.00 3.92 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 110 R 8.18 3.94 0.00 2.00 1.99 0.00 3.27 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 111 A 8.42 4.03 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 0.00 112 T 8.09 3.80 4.40 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 1.25 0.00 0.00 113 R 8.05 3.99 0.00 1.87 1.99 0.00 3.13 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 1.80 1.82 0.00 114 A 8.07 3.99 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 0.00 115 L 8.25 4.17 0.00 1.78 1.89 1.01 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 116 R 8.35 4.05 0.00 1.82 1.99 0.00 3.31 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.86 0.00 117 E 7.87 3.91 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 118 R 7.62 3.92 0.00 1.59 1.70 0.00 2.97 0.00 0.00 2.86 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.00 119 F 8.27 4.96 0.00 3.16 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 0.00 120 P 0.00 4.51 0.00 2.06 2.14 0.00 3.76 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.19 0.00 121 E 8.10 4.27 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 122 L 7.99 4.21 0.00 1.65 1.86 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.88 3.76 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 0.00 0.00 0.00 124 I 9.09 4.81 1.84 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 1.24 1.66 0.86 0.00 0.00 125 I 8.63 4.68 1.79 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.74 0.79 0.00 0.00 126 T 8.50 4.42 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 1.01 0.00 0.00 127 D 8.21 4.85 0.00 2.22 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 8.32 4.29 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 0.99 0.00 0.00 0.95 0.00 0.00 129 A 9.05 4.62 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 0.00 130 L 8.39 4.65 0.00 1.87 1.77 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 131 D 7.88 4.68 0.00 2.98 2.98 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 0.00 132 P 0.00 4.21 0.00 0.49 1.67 0.00 3.52 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 1.75 2.00 0.00 133 F 8.10 4.89 0.00 3.02 2.94 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 0.00 134 T 7.65 4.71 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 1.27 0.00 0.00 135 T 8.48 4.03 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 1.24 0.00 0.00 136 H 8.13 4.85 0.00 3.24 3.38 0.00 5.64 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 0.00 137 G 7.97 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Q 7.57 4.13 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.22 0.00 139 D 8.61 4.25 0.00 2.17 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 0.00 0.00 0.00 140 G 6.93 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 0.00 0.00 0.00 141 I 8.12 4.21 1.84 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 1.20 0.84 0.97 0.00 0.00 142 L 8.42 5.01 0.00 1.54 1.61 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.96 4.75 0.00 2.93 2.94 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 0.00 144 D 8.62 4.58 0.00 2.71 2.78 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 0.00 145 D 8.75 4.64 0.00 2.87 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 0.00 146 G 8.23 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 0.00 0.00 0.00 147 Y 7.92 4.46 0.00 3.04 3.23 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 0.00 148 V 7.39 4.04 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.76 0.00 0.00 149 L 8.86 4.16 0.00 1.78 1.60 0.95 0.51 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 0.00 150 N 8.71 4.31 0.00 2.88 2.81 0.00 0.00 7.24 8.49 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 0.00 151 D 7.91 4.35 0.00 2.73 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 0.00 152 V 7.75 3.77 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 1.07 0.00 0.00 0.93 0.00 0.00 153 S 7.77 4.20 0.00 4.01 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 0.00 154 I 7.74 3.65 2.01 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 1.49 0.77 0.89 0.00 0.00 155 D 8.09 4.32 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 0.00 156 V 7.43 3.61 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 1.18 0.00 0.00 0.96 0.00 0.00 157 L 8.12 3.99 0.00 1.87 1.68 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 158 V 8.00 3.51 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 0.98 0.00 0.00 0.94 0.00 0.00 159 R 7.59 3.75 0.00 1.74 1.44 0.00 2.80 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.62 0.00 160 Q 8.17 3.84 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.07 2.40 0.00 161 A 8.26 3.90 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 0.00 162 L 8.06 3.92 0.00 1.81 1.71 0.88 0.75 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 0.00 163 S 7.98 4.64 0.00 4.08 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 H 8.31 4.27 0.00 3.34 3.32 0.00 5.64 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 0.00 165 A 8.01 3.91 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 0.00 166 E 8.40 3.95 0.00 2.17 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 2.36 2.41 0.00 167 A 7.69 4.29 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 0.00 168 G 7.76 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 0.00 0.00 0.00 169 A 7.81 4.08 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 Q 8.65 4.24 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 171 V 7.78 4.86 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 0.87 0.00 0.00 0.83 0.00 0.00 172 V 9.25 4.80 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 0.80 0.00 0.00 0.92 0.00 0.00 173 A 8.97 5.52 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 0.00 174 P 0.00 4.82 0.00 2.10 2.04 0.00 3.74 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 2.09 0.00 175 S 8.55 4.02 0.00 2.72 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 0.00 176 D 8.08 4.43 0.00 2.68 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 0.00 177 M 7.87 3.20 0.00 2.42 2.34 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 178 M 8.27 4.42 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 179 D 8.79 4.40 0.00 2.69 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 0.00 180 G 8.93 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 0.00 0.00 0.00 181 R 7.53 3.98 0.00 2.09 2.18 0.00 3.22 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.02 0.00 182 I 7.77 3.77 2.01 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 1.57 0.93 0.89 0.00 0.00 183 G 8.66 3.60 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 0.00 0.00 0.00 184 A 7.86 3.99 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 0.00 185 I 8.04 3.65 1.92 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 1.38 0.68 0.89 0.00 0.00 186 R 8.19 3.85 0.00 1.90 2.12 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 187 E 8.41 3.90 0.00 2.11 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 2.36 0.00 188 A 7.92 3.98 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 0.00 189 L 8.16 3.98 0.00 1.84 1.92 0.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 190 E 8.47 3.93 0.00 2.17 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 2.45 2.49 0.00 191 S 8.36 4.12 0.00 3.93 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 A 7.78 4.35 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 0.00 193 G 7.83 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 0.00 0.00 0.00 194 H 8.07 4.69 0.00 3.31 3.23 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 T 7.75 4.01 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 0.00 196 N 7.87 4.75 0.00 2.69 2.82 0.00 0.00 6.84 7.68 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 *206 Y 8.33 4.58 0.00 2.46 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 0.00 207 A 9.13 4.80 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 0.00 208 S 8.26 4.66 0.00 3.61 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 0.00 209 A 8.44 4.04 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 0.00 210 Y 7.70 4.39 0.00 2.95 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 0.00 211 Y 7.59 4.71 0.00 3.03 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 0.00 212 G 7.97 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 0.00 213 P 0.00 4.36 0.00 2.19 2.24 0.00 4.01 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 2.19 2.04 0.00 214 F 8.34 3.96 0.00 3.09 3.23 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 0.00 215 R 8.06 4.06 0.00 2.20 2.01 0.00 3.34 0.00 0.00 3.36 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.79 0.00 216 D 7.97 4.25 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 A 7.59 3.32 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 V 7.28 3.90 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 0.24 0.00 0.00 0.75 0.00 0.00 219 G 7.46 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 S 7.68 4.50 0.00 4.05 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 *228 N 8.33 4.68 0.00 3.01 3.08 0.00 0.00 6.00 6.43 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 0.00 229 K 8.38 3.07 0.00 1.68 1.84 0.00 1.94 0.00 0.00 1.91 0.00 0.00 3.09 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.54 1.41 7.81 230 A 7.96 3.93 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 0.00 231 T 7.41 4.41 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 232 Y 7.11 4.70 0.00 3.18 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 Q 7.32 4.27 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.00 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 234 M 8.22 4.46 0.00 1.60 0.99 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 235 D 8.62 4.72 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 0.00 236 P 0.00 4.59 0.00 2.18 2.32 0.00 3.84 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.41 0.00 237 A 8.53 4.15 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.44 2.42 0.00 246 V 7.87 3.40 1.81 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 0.39 0.00 0.00 0.94 0.00 0.00 247 A 7.99 3.61 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 0.00 248 A 7.84 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 0.00 249 D 7.88 4.26 0.00 2.65 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 0.00 250 L 8.03 3.90 0.00 1.52 1.66 0.63 1.15 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 0.00 251 A 7.80 4.04 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 0.00 252 E 8.28 4.25 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 253 G 7.83 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 0.00 0.00 0.00 254 A 7.76 4.03 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 0.00 255 D 8.70 4.68 0.00 2.52 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 0.00 256 M 7.81 5.14 0.00 1.68 1.53 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.08 0.00 257 V 8.76 4.90 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 0.70 0.00 0.00 1.01 0.00 0.00 258 M 8.97 5.22 0.00 1.83 1.67 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 259 V 8.65 4.92 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 1.11 0.00 0.00 1.05 0.00 0.00 260 K 8.68 4.95 0.00 1.90 1.77 0.00 1.93 0.00 0.00 1.87 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.52 1.44 7.81 261 P 0.00 4.23 0.00 2.23 2.14 0.00 3.23 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 262 G 9.80 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 0.00 263 M 8.84 4.00 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 264 P 0.00 4.34 0.00 1.73 1.82 0.00 3.76 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 1.28 1.57 0.00 265 Y 7.96 4.85 0.00 3.17 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 266 L 7.82 4.19 0.00 1.71 1.73 0.77 1.03 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 0.00 267 D 8.12 4.39 0.00 2.88 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 268 I 7.70 3.93 2.20 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.12 1.14 0.00 0.00 269 V 7.86 3.66 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 1.17 0.00 0.00 1.08 0.00 0.00 270 R 8.06 4.43 0.00 1.98 2.10 0.00 3.33 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 271 R 8.15 3.91 0.00 1.98 2.01 0.00 3.22 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 272 V 8.09 3.82 2.31 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 1.15 0.00 0.00 1.14 0.00 0.00 273 K 8.32 3.96 0.00 1.93 1.82 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.27 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.55 7.81 274 D 8.12 4.36 0.00 2.85 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 0.00 275 E 8.22 3.92 0.00 1.34 1.14 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 2.40 2.26 0.00 276 F 7.93 4.72 0.00 3.20 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 0.00 277 R 8.15 3.85 0.00 1.99 2.02 0.00 3.29 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 278 A 7.80 4.82 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 0.00 279 P 0.00 4.57 0.00 2.31 2.24 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 280 T 9.17 5.18 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 1.25 0.00 0.00 281 F 9.73 5.12 0.00 2.85 2.82 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 0.00 282 V 8.20 4.83 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 0.22 0.00 0.00 0.92 0.00 0.00 283 Y 8.38 4.64 0.00 2.88 2.75 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 0.00 0.00 0.00 284 Q 8.97 4.58 0.00 2.06 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.73 0.00 0.00 0.00 0.00 0.00 2.71 2.95 0.00 285 V 8.80 4.23 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 0.66 0.00 0.00 1.26 0.00 0.00 286 S 9.30 4.10 0.00 4.07 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 0.00 287 G 8.44 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 288 E 8.39 4.12 0.00 2.43 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 0.00 2.29 2.35 0.00 289 Y 8.41 3.96 0.00 3.06 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 290 A 8.61 4.03 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 291 M 8.42 4.06 0.00 2.37 2.42 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.90 0.00 292 H 8.33 4.13 0.00 3.70 3.56 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 293 M 8.36 4.12 0.00 1.81 1.73 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 294 G 8.22 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 295 A 7.92 3.85 1.53 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 0.00 0.00 296 I 7.91 3.96 1.98 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 1.66 1.76 0.95 0.00 0.00 297 Q 8.08 3.96 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 298 N 7.61 4.23 0.00 1.44 1.42 0.00 0.00 7.06 7.35 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 0.00 299 G 7.56 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 300 W 8.23 4.75 0.00 3.48 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 0.00 301 L 7.68 4.81 0.00 1.70 1.54 0.95 0.94 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 0.00 302 A 8.38 4.18 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 0.00 303 E 8.76 4.02 0.00 1.97 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 2.39 2.32 0.00 304 S 8.10 4.22 0.00 4.01 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 305 V 7.79 3.64 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 0.85 0.00 0.00 0.95 0.00 0.00 306 I 7.55 3.15 1.59 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 0.12 0.76 0.36 0.00 0.00 307 L 7.68 3.99 0.00 1.63 1.68 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 308 E 8.06 3.86 0.00 2.01 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 2.23 2.27 0.00 309 S 7.84 3.95 0.00 3.92 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 0.00 310 L 7.76 4.45 0.00 1.73 1.86 0.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 311 T 8.24 3.85 4.33 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 1.18 0.00 0.00 312 A 7.78 3.85 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 313 F 7.53 4.34 0.00 3.19 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 0.00 314 K 8.07 3.96 0.00 1.92 1.86 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.74 1.45 7.81 315 R 8.01 3.87 0.00 1.76 2.08 0.00 3.22 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 316 A 8.16 4.21 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 0.00 317 G 7.42 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 318 A 8.13 4.18 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 0.00 319 D 8.80 4.41 0.00 1.92 2.37 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 0.00 320 G 6.65 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 0.00 0.00 0.00 321 I 8.62 4.91 1.78 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.69 0.58 0.00 0.00 322 L 8.50 4.35 0.00 0.66 0.50 0.72 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 323 T 8.27 4.77 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 324 Y 8.64 3.95 0.00 2.25 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 0.00 0.00 0.00 0.00 325 F 8.44 4.86 0.00 3.28 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 0.00 326 A 8.03 4.03 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 0.00 327 K 7.92 3.93 0.00 1.89 1.93 0.00 2.20 0.00 0.00 2.04 0.00 0.00 3.21 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.77 1.74 7.81 328 Q 8.31 4.26 0.00 2.48 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.62 2.66 0.00 329 A 8.59 4.00 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 0.00 330 A 8.20 3.97 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 0.00 331 E 8.32 3.95 0.00 2.30 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 0.00 2.39 2.59 0.00 332 Q 8.02 4.16 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 333 L 7.59 4.29 0.00 1.79 1.73 0.96 0.98 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 0.00 334 R 7.98 4.22 0.00 1.97 1.97 0.00 3.45 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 335 R 7.55 4.19 0.00 1.96 1.91 0.00 3.36 0.00 0.00 3.25 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 *336 G 8.17 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.