NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.8707 8.2833 119.7098 52.2028 40.9522 172.8546 4 I 4.7015 7.7791 119.5802 59.6777 40.0066 171.0565 5 E 4.5866 9.1548 129.3276 54.3702 32.1049 173.8663 6 N 4.9216 8.8729 126.4785 53.2261 38.9149 174.1649 7 I 4.1737 8.5761 120.4986 62.2115 39.0662 176.7576 *10 G 3.9868 7.8760 106.1466 45.6934 0.0000 172.1798 11 A 5.2785 8.0109 120.9244 49.9067 23.2351 175.2605 12 E 5.0250 9.0132 115.7220 55.3969 33.8723 174.2492 13 V 4.5870 8.6622 120.3924 61.0642 34.3954 174.2377 14 V 4.4041 8.8605 128.9238 61.8254 32.8430 174.5153 15 K 5.2957 8.9166 127.8995 54.9869 34.0622 175.8666 16 R 5.0574 9.1707 122.4688 55.0522 34.9891 174.0107 17 T 5.3777 8.3870 108.9331 60.9449 72.1512 172.9225 18 E 4.8802 9.1442 121.3350 55.1529 34.5519 174.1542 19 D 5.4047 8.9399 122.7893 53.0467 43.8674 175.1517 20 T 4.8203 9.0596 120.5550 61.8122 72.2012 173.7038 21 S 5.3718 8.7519 120.5241 56.8354 67.9245 172.7866 22 S 4.4579 8.6601 116.2848 56.6963 64.8519 174.4000 23 D 4.5313 8.8611 125.8234 54.5283 40.1764 177.5792 24 K 3.7621 7.8455 121.1039 59.0161 32.2541 177.5381 25 W 4.5174 7.8067 115.9807 56.2140 30.2666 175.9682 26 G 3.8242 8.3805 106.6139 46.0223 0.0000 173.1851 27 V 5.0789 7.1581 116.7084 61.5085 36.2636 174.4937 28 T 5.1235 9.2415 122.4977 60.8921 72.1693 172.7303 29 Q 4.5974 9.7300 126.6023 54.4284 31.0102 174.5862 30 N 5.3365 9.4475 123.2952 51.7658 40.5557 173.3854 31 I 4.4391 8.4210 125.0861 59.3226 39.9893 174.8510 32 Q 4.8395 8.3938 125.2017 54.0346 31.5194 174.5275 33 F 4.6965 9.1485 123.2123 55.9062 41.4858 174.4261 34 D 5.1670 8.6729 125.4527 52.5393 42.8708 175.7617 35 F 4.9966 9.3253 124.2815 56.4649 40.5270 175.4186 36 V 4.0162 8.6950 125.2090 62.1889 32.1218 175.9615 37 K 4.5379 9.5481 129.8883 54.8850 32.9543 174.2785 38 D 5.0152 8.4800 126.2249 52.6964 43.7395 176.7710 39 K 4.0647 9.2766 130.6488 58.1335 31.9134 175.1010 40 K 4.2880 8.8418 118.0606 55.8800 31.9932 179.5134 41 Y 5.0587 7.9577 120.4778 56.6446 39.6824 175.6480 42 N 4.6877 8.9944 122.7860 53.6984 37.3964 174.3581 43 K 4.4331 6.2699 117.1646 54.7229 36.5575 175.8234 44 D 4.7429 8.5535 121.6989 54.2734 42.4166 175.5204 45 A 5.3909 8.6964 121.6107 50.3576 23.1386 174.6840 46 L 5.0368 9.3411 123.2142 53.3912 45.6965 175.0668 47 I 4.6152 8.8077 127.8206 59.7772 39.3078 174.6481 48 L 4.5045 8.8950 128.8284 53.1637 43.2578 175.7599 49 K 4.4960 8.5910 126.9489 55.0482 34.1088 175.2157 50 M 4.6011 9.1359 129.7824 54.5775 33.1278 175.2251 51 Q 5.6764 9.2151 124.4957 52.4975 32.8638 173.7085 52 G 4.2480 7.9427 107.6031 45.4957 0.0000 173.2546 53 F 4.9774 9.4375 125.4188 57.1846 43.6916 173.4699 54 I 4.5506 7.8346 126.6913 59.0034 39.5826 174.5302 55 N 4.3482 8.5711 127.0743 53.8984 38.8148 175.3056 56 S 4.3028 8.9553 120.3255 58.8952 63.9985 174.6911 57 K 3.9007 8.7260 117.9077 57.2460 30.0878 175.0835 58 T 4.3615 7.5856 115.6009 64.0593 68.7316 174.2051 59 T 4.7214 8.6456 115.8745 60.0176 72.5783 172.2493 60 Y 5.2022 8.7122 120.8576 56.5373 40.5651 174.4459 61 Y 5.0164 8.3780 120.5447 55.6735 41.9611 173.9303 62 N 4.8029 8.9001 117.7355 53.5449 39.9549 174.0754 63 Y 4.4959 8.7926 123.7930 56.4312 39.8673 175.3578 64 K 3.3880 8.2387 128.0522 58.1813 31.4841 175.3082 65 N 4.8606 8.5795 123.0157 54.2102 38.6430 174.7434 66 T 4.4666 7.6185 110.1434 61.0159 70.1041 173.7432 67 D 4.8578 8.5968 117.7610 52.9133 40.7586 175.4801 68 H 5.2843 8.2141 114.3850 54.6893 30.5067 173.3892 69 I 5.0995 7.6873 119.4393 59.8975 40.2066 174.6488 70 K 5.0153 9.0237 125.4649 54.4151 36.4400 174.9833 71 A 5.3556 9.3198 122.8804 50.4629 23.1255 175.0236 72 M 4.3905 8.4505 118.1176 53.6963 35.4529 173.9723 73 R 5.1037 8.8423 128.2887 54.7155 31.8840 175.0650 74 W 5.5540 8.9557 123.3607 53.8600 32.4869 172.9402 75 P 4.7056 0.0000 0.0000 62.6041 30.0499 175.6726 76 F 4.1527 8.7121 130.1450 60.8793 40.5769 174.5908 77 Q 5.0552 7.8299 117.8762 54.8285 32.6779 172.7584 78 Y 5.0129 9.0200 122.6641 56.3176 41.0385 174.2867 79 N 5.2792 9.0869 120.6044 51.5903 41.8124 173.7440 80 I 4.9870 8.5066 123.0871 59.5273 41.1037 174.7150 81 G 4.5526 9.3620 113.3449 44.6413 0.0000 171.1044 82 L 5.4889 9.1417 126.2874 53.8421 45.8708 176.0010 83 K 5.2767 8.9807 127.2556 54.6302 36.5914 172.8316 84 T 5.0245 8.6646 116.5808 61.2592 70.1706 174.0708 85 N 4.6676 8.6508 122.0565 52.6488 39.3846 175.3469 86 D 4.4168 7.5176 115.5849 54.4857 41.2037 175.3316 87 P 4.3851 0.0000 0.0000 65.0261 31.8546 176.9948 88 N 4.5946 9.3298 115.2170 53.5113 38.9527 174.2178 89 V 4.9957 7.5447 119.0747 61.1770 33.6894 174.5822 90 D 5.2214 8.9965 126.7044 52.3111 44.5925 174.6412 91 L 4.7519 8.8927 126.5505 55.0269 41.9320 176.2689 92 I 4.4630 8.8237 120.8440 61.9309 39.3180 175.0054 93 N 4.8099 7.7882 118.6100 52.4718 40.3979 172.7410 94 Y 5.4116 7.4148 114.9372 56.2792 40.7146 173.6851 95 L 5.2886 9.4092 121.8925 52.3974 45.7721 174.4555 96 P 5.2635 0.0000 0.0000 62.5889 32.4516 177.1328 97 K 4.5491 8.8373 122.1642 56.6567 32.2411 176.5123 98 N 5.1346 7.8109 114.6299 50.4955 40.9724 174.4404 99 K 4.2160 8.5646 121.0369 57.1485 32.7539 176.0137 100 I 4.6689 9.1056 125.8268 59.6388 41.0524 174.5317 101 D 5.1492 8.6213 124.9739 52.7663 39.9457 176.1768 102 S 4.2551 7.8730 114.2954 58.3051 63.9782 173.9964 103 V 3.7564 8.5599 122.8673 65.6951 32.1047 175.0277 104 N 5.2789 8.0311 116.6304 51.4970 41.8279 174.0368 105 V 4.1647 8.3532 125.5743 60.9451 33.8587 174.3780 106 S 5.3004 8.2502 122.1832 55.6206 65.2832 173.2876 107 Q 4.6607 8.4563 121.8668 54.4380 33.6399 173.7314 108 T 4.8161 8.3601 116.1354 61.6868 72.2414 173.2751 109 L 4.6130 9.1407 127.6406 53.3649 44.2739 175.3684 110 G 3.1188 8.4142 113.7909 44.2383 0.0000 171.3472 111 Y 5.0753 8.9128 122.4813 55.5670 42.6353 173.7371 112 N 5.7359 7.8089 123.1130 49.8994 42.5081 173.8923 113 I 3.7663 8.3401 122.1745 63.0409 37.5833 175.7900 114 G 3.9857 9.5672 113.1010 45.0204 0.0000 173.6309 115 G 2.6810 7.4999 106.0288 46.1511 0.0000 173.6855 116 N 4.6966 6.9853 117.7342 51.2356 40.4248 174.1698 117 F 5.2245 8.7959 122.8207 55.5876 41.5699 174.9756 118 N 4.8077 9.4097 125.3205 52.1414 40.4684 175.9095 119 S 4.6556 8.2435 129.1422 57.6942 62.4859 174.0652 *128 S 4.0790 7.5583 117.4229 57.9664 62.8278 174.8530 129 F 5.7800 7.7448 123.1474 53.9161 42.5210 175.6953 130 N 4.7228 9.1260 121.0836 56.3343 39.5498 174.6075 131 Y 5.3850 8.0780 117.8175 56.3516 42.6912 173.9222 132 S 4.9306 7.3639 117.1808 56.8827 66.5872 173.0246 133 K 4.5359 8.9381 122.1959 54.9873 35.4665 175.0867 134 T 5.1545 8.5195 116.4167 59.7737 72.1176 172.8714 135 I 4.5655 8.1325 115.4043 59.5242 41.2801 174.7730 136 S 4.8004 8.6917 116.3868 58.0219 65.2182 173.6730 137 Y 4.9188 8.3649 124.9883 55.7518 41.6292 173.5136 138 N 5.6005 8.8930 117.5276 51.1880 41.5922 174.9803 139 Q 4.5598 9.1158 119.7980 54.5010 28.9417 174.8791 140 Q 3.9181 8.2625 117.8915 59.2627 29.5431 176.7318 141 N 4.4740 8.9310 120.1251 53.9813 36.7203 173.0092 142 Y 4.9366 8.2296 115.3319 56.1765 41.3426 174.7953 143 I 4.8371 8.6109 119.5074 59.8027 41.7807 173.8162 144 S 5.4498 8.8868 124.9883 57.3921 65.5510 172.8382 145 E 5.1012 8.6482 120.2726 55.4074 33.7000 174.9727 146 V 3.9168 8.7298 126.9839 62.9589 31.8899 175.7065 147 E 4.2036 9.0344 127.8223 58.5546 30.0339 176.4489 148 H 4.4272 7.5118 114.8377 55.6005 32.4875 172.3496 149 Q 4.7596 7.9451 121.6703 55.6455 31.1985 173.3745 150 N 4.7271 8.3487 115.8117 52.5476 39.7960 174.8255 151 S 4.4165 8.7369 111.2593 60.4768 63.4808 175.0445 152 K 4.5477 8.7587 120.0624 56.2317 33.8181 175.1329 153 S 5.1286 7.8184 111.7345 57.7742 66.9073 173.9995 154 V 4.5040 8.5236 121.5790 61.0715 34.9130 173.8874 155 Q 4.7719 8.6981 124.1343 53.7039 32.1205 172.1695 156 W 5.1720 9.8135 125.0701 54.1501 32.3559 175.4823 157 G 4.4270 9.0389 109.1705 44.7033 0.0000 171.6900 158 I 4.8836 8.9382 126.2554 59.2927 39.2006 174.6441 159 K 4.9718 8.6222 125.6693 54.0099 36.2236 175.4037 160 A 2.5800 7.5537 123.2619 52.8719 18.7676 175.9873 161 N 4.7345 9.1338 122.0860 54.1718 40.4467 173.6811 162 S 5.1957 7.2463 110.1520 56.5859 66.7214 172.5329 163 F 4.9905 10.1191 127.4375 56.3271 42.8373 175.2486 164 I 4.5334 8.7225 122.4783 59.5106 35.9617 175.6187 165 T 4.4822 8.5365 120.6741 61.0189 71.3411 172.2704 *169 K 4.6355 7.7375 122.0799 55.6871 33.3825 178.5443 170 M 5.0191 9.3641 122.2471 53.2381 36.8286 175.3590 171 S 4.9018 8.7390 117.0608 57.5283 64.9623 175.1936 172 G 4.0096 8.8494 108.4754 47.4462 0.0000 174.1208 173 H 4.6546 7.8380 115.4580 55.4101 29.6393 174.6677 174 D 4.3825 8.0258 121.3530 53.6326 41.2280 175.0467 175 P 4.2428 0.0000 0.0000 65.5998 31.6631 176.7878 176 N 4.6841 8.3674 113.6326 52.7143 38.7809 174.6215 177 L 3.7492 7.4234 121.7084 56.2442 42.4361 177.5613 178 F 4.2196 8.5221 122.3615 57.5541 37.3480 175.0728 179 V 3.7214 7.4864 120.9118 63.1597 31.8616 176.6455 180 G 3.4167 8.0951 117.7852 45.1899 0.0000 173.0665 181 Y 4.8217 8.1137 118.2765 57.5809 39.9977 176.3019 182 K 4.6192 7.3162 120.6557 53.1946 31.8719 174.7556 183 P 3.5864 0.0000 0.0000 65.0169 31.3769 177.7332 184 Y 4.6661 7.6088 113.8280 57.9905 38.8988 175.8884 185 S 4.3774 7.9486 114.4560 58.6804 62.8914 173.7850 186 Q 4.3230 8.5312 122.7712 55.8286 29.5062 175.1599 187 N 4.6728 8.0172 119.0473 51.3808 39.3412 173.6558 188 P 4.1267 0.0000 0.0000 65.8560 31.5610 178.4656 189 R 3.6037 8.6280 119.0478 59.2533 29.3816 177.8190 190 D 4.5897 8.2549 117.6391 56.2295 40.7748 177.1156 191 Y 4.1972 7.9492 116.8306 57.8560 37.9047 174.4410 192 F 5.2044 7.1759 117.9993 55.1328 43.3045 175.1399 193 V 3.7467 8.6204 115.0054 61.2627 32.2190 174.6758 194 P 4.4464 0.0000 0.0000 62.6697 32.4155 176.8877 195 D 4.4276 8.9148 120.3242 57.5409 40.8503 178.9918 196 N 4.4131 8.2200 114.8772 55.2280 37.2385 175.1995 197 E 4.5479 8.1315 116.4752 56.0657 30.1368 175.5466 198 L 4.8559 7.8902 119.8783 52.1003 44.0487 174.6155 199 P 4.6837 0.0000 0.0000 61.5460 32.6387 175.2927 200 P 3.7586 0.0000 0.0000 65.8518 31.3108 178.6827 201 L 4.2464 7.8074 115.3779 56.2121 41.8291 177.8496 202 V 4.2589 7.9385 118.0426 64.8721 32.2314 176.7958 203 H 4.5663 8.0337 112.5438 57.4389 28.9784 174.8448 204 S 4.6396 9.5785 114.8466 58.1761 65.2063 175.4216 205 G 4.1045 6.9852 105.4403 46.3780 0.0000 169.6310 206 F 4.6772 7.4804 121.4719 56.4456 41.4825 174.9376 207 N 4.9740 8.0776 123.6965 50.2126 38.4819 172.2959 208 P 3.3527 0.0000 0.0000 62.7159 33.0813 176.2819 209 S 4.3550 7.5384 116.4803 57.6689 63.7768 172.7889 210 F 4.7160 9.0638 125.1152 55.3816 43.4571 174.0894 211 I 5.3122 8.6385 120.4117 59.8234 41.5527 174.4910 212 A 5.2879 8.9090 126.1664 50.9894 23.0868 175.0495 213 T 4.9829 8.9679 118.8271 61.7758 71.4036 173.9338 214 V 5.1199 8.8808 118.9240 59.5537 35.9515 174.7361 215 S 5.3186 9.2492 118.1167 56.9479 66.1956 172.3639 216 H 5.0643 8.4300 120.6266 54.0020 33.3067 172.2490 217 E 4.0702 8.2332 124.9806 55.9045 30.2356 176.8497 218 K 3.9490 8.4932 124.6387 58.0779 32.4891 177.4187 219 G 3.9122 8.8180 110.8290 45.9432 0.0000 173.9755 220 S 4.4214 8.1145 112.6755 57.6072 63.6602 173.8792 221 G 4.5511 7.5787 118.3507 45.5451 0.0000 172.5219 222 D 4.9053 8.3708 124.4651 56.2593 41.9168 175.9558 223 T 5.7044 7.8198 107.2426 59.0182 72.1547 173.5594 224 S 4.7133 8.3323 117.3769 57.2310 67.9516 172.5264 225 E 5.0206 8.5222 122.5526 54.7619 32.0787 174.7878 226 F 5.0910 9.5953 122.1713 55.7504 42.9378 173.7416 227 E 5.1391 9.6492 123.3025 54.7879 31.8549 174.8547 228 I 5.0515 8.7751 125.7761 59.8055 40.1160 174.7361 229 T 5.0325 9.3279 123.5306 61.9357 71.6691 172.5917 230 Y 5.2094 8.7223 123.9819 56.6591 41.3657 175.3663 231 G 4.5766 8.6144 109.9386 47.2739 0.0000 171.9339 232 R 5.1493 8.4914 117.1494 54.7230 35.4770 174.1781 233 N 5.2892 9.0544 118.5994 51.9573 41.5191 173.5302 234 M 4.9425 9.1879 124.2730 53.9049 34.6417 175.1408 235 D 5.0602 8.6745 122.0820 52.3629 44.7784 175.1690 236 V 4.9068 8.1895 119.6310 61.5199 34.8085 174.2397 237 T 5.1596 9.1401 124.5177 62.2391 71.2561 172.7199 238 H 5.5351 9.3667 123.7615 54.0560 31.5645 173.3653 239 A 5.0804 9.1664 125.1957 50.5010 21.2891 175.2523 240 T 4.9930 8.8395 119.9486 61.5113 71.4771 173.8737 241 R 4.1732 8.6461 127.3527 56.2283 30.9607 175.8345 242 R 4.6078 8.5591 124.9012 54.3884 33.9848 174.5775 243 T 4.6499 8.4088 114.9594 60.6484 70.7080 174.3267 *248 N 4.6553 8.2816 120.1868 52.5794 39.1967 172.4881 249 S 5.1413 8.3393 111.2998 58.6521 65.8383 172.8792 250 Y 4.7316 7.8115 119.5538 56.4428 41.7861 172.8376 251 L 4.8167 8.3584 119.0898 52.8280 43.9217 175.8619 252 E 4.6703 8.9731 124.4433 54.3399 32.3298 174.8567 253 G 4.5698 9.1284 114.2615 44.9124 0.0000 172.8273 254 S 5.0090 9.0460 115.9027 56.3804 67.0452 172.6816 255 R 5.1102 8.5283 119.5766 54.8214 33.6972 174.8283 256 I 4.3539 8.7112 126.1713 59.6260 38.6578 174.0781 257 H 5.0604 8.5111 126.7403 55.5770 30.6897 174.4913 258 N 3.8865 8.6985 121.3009 54.2391 36.4738 175.6613 259 A 3.7308 7.8513 121.5923 54.5642 19.0674 178.3165 260 F 4.5916 8.1076 114.9802 55.9006 40.4533 174.4079 261 V 4.2820 8.0769 117.9784 60.7666 33.2378 175.6081 262 N 4.2134 8.7857 119.4017 55.3360 36.6657 177.7678 263 R 4.5672 8.0509 119.0330 55.8136 28.7431 177.6940 264 N 5.0966 7.5274 121.8034 50.9560 42.7247 172.7335 265 Y 4.4290 8.7201 123.1999 56.2411 40.9409 174.3577 266 T 4.8160 9.2420 124.1290 61.5849 71.6327 173.6295 267 V 4.3531 8.3878 127.6654 61.3931 34.9757 174.7651 268 K 4.8803 8.5971 131.1484 53.8890 33.8081 172.6276 269 Y 5.1753 9.3910 123.9767 55.2063 40.8312 174.3990 270 E 5.0435 9.5410 125.1649 54.5668 32.1905 174.9997 271 V 4.7396 8.6630 119.9560 59.4839 35.3939 174.3295 272 N 5.1994 8.0775 121.7533 51.5448 40.2869 175.1959 273 W 4.3327 8.9957 130.1749 59.9897 29.1780 178.8481 274 K 4.1676 8.5013 120.7204 56.6146 30.5287 182.7153 275 T 4.1902 8.4281 108.7336 60.6953 69.6423 174.7504 276 H 3.0438 8.0780 118.5113 56.5038 26.7878 173.6763 277 E 4.4372 7.2534 117.8018 55.1562 31.0168 174.5920 278 I 4.6820 8.3466 129.6347 60.2024 39.4757 175.8367 279 K 4.5936 8.9268 129.1184 53.3861 35.9879 173.8336 280 V 4.0993 8.5266 125.5836 61.6152 31.1860 175.8231 281 K 4.1870 9.2176 129.0051 56.5844 32.8675 177.5129 282 G 3.9655 7.3484 109.8064 45.9841 0.0000 170.3783 283 H 4.8857 7.6985 112.9004 54.8851 30.6020 173.7211 284 N 4.7006 8.6052 117.0675 53.1604 37.3695 174.8442 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 N 8.28 4.87 0.00 2.43 2.87 0.00 0.00 6.53 6.60 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 4 I 7.78 4.70 1.89 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 1.25 1.22 0.97 0.00 0.00 5 E 9.15 4.59 0.00 2.09 1.78 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 2.29 2.31 0.00 6 N 8.87 4.92 0.00 2.80 2.75 0.00 0.00 7.08 7.94 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 7 I 8.58 4.17 2.16 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 1.36 0.88 1.01 0.00 0.00 *10 G 7.88 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.01 5.28 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 12 E 9.01 5.03 0.00 2.13 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 2.21 2.27 0.00 13 V 8.66 4.59 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 0.66 0.00 0.00 0.08 0.00 0.00 14 V 8.86 4.40 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 0.77 0.00 0.00 0.95 0.00 0.00 15 K 8.92 5.30 0.00 1.70 1.82 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.53 7.81 16 R 9.17 5.06 0.00 1.85 1.86 0.00 3.31 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.03 0.00 17 T 8.39 5.38 4.29 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 1.25 0.00 0.00 18 E 9.14 4.88 0.00 2.15 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 2.38 2.64 0.00 19 D 8.94 5.40 0.00 2.56 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 20 T 9.06 4.82 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 1.32 0.00 0.00 21 S 8.75 5.37 0.00 3.75 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.66 4.46 0.00 3.03 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 23 D 8.86 4.53 0.00 2.77 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 24 K 7.85 3.76 0.00 1.43 1.40 0.00 1.44 0.00 0.00 1.21 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.30 0.79 7.81 25 W 7.81 4.52 0.00 3.17 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.38 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.16 5.08 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 1.44 0.00 0.00 1.18 0.00 0.00 28 T 9.24 5.12 4.44 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 1.30 0.00 0.00 29 Q 9.73 4.60 0.00 2.05 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.75 0.00 0.00 0.00 0.00 0.00 1.16 1.98 0.00 30 N 9.45 5.34 0.00 2.71 2.75 0.00 0.00 6.44 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 31 I 8.42 4.44 1.24 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 1.01 0.47 -0.26 0.00 0.00 32 Q 8.39 4.84 0.00 1.81 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 33 F 9.15 4.70 0.00 2.71 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.67 5.17 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 9.33 5.00 0.00 2.80 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 36 V 8.69 4.02 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 0.15 0.00 0.00 0.69 0.00 0.00 37 K 9.55 4.54 0.00 1.79 1.80 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.57 7.81 38 D 8.48 5.02 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 9.28 4.06 0.00 1.81 1.72 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.01 7.81 40 K 8.84 4.29 0.00 1.73 1.74 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.24 7.81 41 Y 7.96 5.06 0.00 3.07 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 42 N 8.99 4.69 0.00 2.83 2.92 0.00 0.00 6.04 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 43 K 6.27 4.43 0.00 0.79 1.42 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.16 1.15 7.81 44 D 8.55 4.74 0.00 2.19 2.50 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 0.00 0.00 0.00 45 A 8.70 5.39 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 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.34 5.04 0.00 1.99 1.75 0.11 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.81 4.62 1.90 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.58 0.93 0.00 0.00 48 L 8.89 4.50 0.00 1.47 1.32 0.46 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.59 4.50 0.00 1.72 1.55 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.31 7.81 50 M 9.14 4.60 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 51 Q 9.22 5.68 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.35 2.06 0.00 52 G 7.94 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 0.00 0.00 0.00 53 F 9.44 4.98 0.00 3.08 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 54 I 7.83 4.55 1.85 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 1.27 0.50 1.13 0.00 0.00 55 N 8.57 4.35 0.00 3.01 2.81 0.00 0.00 7.27 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 56 S 8.96 4.30 0.00 4.11 4.16 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 57 K 8.73 3.90 0.00 1.89 1.89 0.00 1.96 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.56 7.81 58 T 7.59 4.36 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 0.94 0.00 0.00 59 T 8.65 4.72 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 1.19 0.00 0.00 60 Y 8.71 5.20 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 61 Y 8.38 5.02 0.00 3.12 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.90 4.80 0.00 2.71 2.84 0.00 0.00 6.83 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.79 4.50 0.00 3.14 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 64 K 8.24 3.39 0.00 1.48 1.07 0.00 1.44 0.00 0.00 1.35 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 0.77 7.81 65 N 8.58 4.86 0.00 2.68 2.80 0.00 0.00 6.76 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.62 4.47 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 67 D 8.60 4.86 0.00 2.77 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.21 5.28 0.00 3.25 3.58 0.00 5.56 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.69 5.10 1.93 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.21 0.68 0.00 0.00 70 K 9.02 5.02 0.00 1.35 1.56 0.00 0.61 0.00 0.00 1.32 0.00 0.00 2.31 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.05 0.61 7.81 71 A 9.32 5.36 0.52 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 0.00 0.00 72 M 8.45 4.39 0.00 1.26 0.57 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 2.22 0.00 73 R 8.84 5.10 0.00 2.12 1.82 0.00 2.91 0.00 0.00 2.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 74 W 8.96 5.55 0.00 3.46 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 75 P 0.00 4.71 0.00 1.46 1.86 0.00 4.07 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 2.23 2.06 0.00 76 F 8.71 4.15 0.00 2.57 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 7.83 5.06 0.00 2.18 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 78 Y 9.02 5.01 0.00 2.61 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 79 N 9.09 5.28 0.00 2.60 2.69 0.00 0.00 6.66 7.28 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 80 I 8.51 4.99 1.40 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.17 0.38 0.00 0.00 81 G 9.36 4.55 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 82 L 9.14 5.49 0.00 1.85 1.55 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.98 5.28 0.00 1.46 1.58 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.28 1.26 7.81 84 T 8.66 5.02 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 85 N 8.65 4.67 0.00 2.77 2.70 0.00 0.00 6.66 8.06 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 86 D 7.52 4.42 0.00 2.66 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 87 P 0.00 4.39 0.00 2.08 2.10 0.00 3.73 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 2.03 2.11 0.00 88 N 9.33 4.59 0.00 2.85 2.72 0.00 0.00 6.30 8.33 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 89 V 7.54 5.00 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 1.17 0.00 0.00 1.20 0.00 0.00 90 D 9.00 5.22 0.00 2.66 2.55 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 91 L 8.89 4.75 0.00 1.71 1.65 1.07 1.10 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 92 I 8.82 4.46 1.86 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.51 0.97 0.00 0.00 93 N 7.79 4.81 0.00 2.67 2.79 0.00 0.00 5.84 7.57 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 94 Y 7.41 5.41 0.00 3.39 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 95 L 9.41 5.29 0.00 1.57 1.71 0.89 0.94 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 96 P 0.00 5.26 0.00 2.33 2.05 0.00 3.07 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.03 0.00 97 K 8.84 4.55 0.00 1.80 1.75 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.02 7.81 98 N 7.81 5.13 0.00 2.72 2.81 0.00 0.00 6.82 7.61 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 99 K 8.56 4.22 0.00 1.78 1.80 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.51 7.81 100 I 9.11 4.67 1.91 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 1.34 1.45 1.03 0.00 0.00 101 D 8.62 5.15 0.00 2.78 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 0.00 102 S 7.87 4.26 0.00 3.95 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.56 3.76 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 0.82 0.00 0.00 0.93 0.00 0.00 104 N 8.03 5.28 0.00 2.79 2.56 0.00 0.00 6.67 7.71 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 0.00 105 V 8.35 4.16 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 0.00 0.00 0.49 0.00 0.00 0.55 0.00 0.00 106 S 8.25 5.30 0.00 3.74 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 0.00 107 Q 8.46 4.66 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 108 T 8.36 4.82 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 1.07 0.00 0.00 109 L 9.14 4.61 0.00 1.56 1.62 1.11 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.41 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 0.00 0.00 0.00 111 Y 8.91 5.08 0.00 2.98 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 0.00 112 N 7.81 5.74 0.00 2.37 2.45 0.00 0.00 6.84 6.78 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 0.00 113 I 8.34 3.77 1.81 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.74 1.00 0.00 0.00 114 G 9.57 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 7.50 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 0.00 0.00 0.00 116 N 6.99 4.70 0.00 2.44 2.59 0.00 0.00 6.93 7.93 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 0.00 117 F 8.80 5.22 0.00 2.89 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 0.00 118 N 9.41 4.81 0.00 2.87 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 8.61 4.84 1.88 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 1.29 1.59 0.97 0.00 0.00 144 S 8.89 5.45 0.00 4.03 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 0.00 145 E 8.65 5.10 0.00 2.11 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 2.22 2.28 0.00 146 V 8.73 3.92 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 0.52 0.00 0.00 0.62 0.00 0.00 147 E 9.03 4.20 0.00 2.02 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 2.36 2.28 0.00 148 H 7.51 4.43 0.00 3.03 2.96 0.00 5.71 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 7.95 4.76 0.00 1.82 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.41 0.00 0.00 0.00 0.00 0.00 2.01 2.22 0.00 150 N 8.35 4.73 0.00 2.90 2.88 0.00 0.00 6.89 7.19 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 0.00 151 S 8.74 4.42 0.00 4.20 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.76 4.55 0.00 1.83 2.04 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.36 1.49 7.81 153 S 7.82 5.13 0.00 4.00 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 0.00 154 V 8.52 4.50 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 0.30 0.00 0.00 -0.79 0.00 0.00 155 Q 8.70 4.77 0.00 1.69 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 156 W 9.81 5.17 0.00 3.13 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 0.00 157 G 9.04 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.94 4.88 1.54 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.65 0.61 0.00 0.00 159 K 8.62 4.97 0.00 1.15 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0.00 187 N 8.02 4.67 0.00 2.77 2.90 0.00 0.00 6.85 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 0.00 188 P 0.00 4.13 0.00 2.45 2.45 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.04 0.00 189 R 8.63 3.60 0.00 1.91 1.86 0.00 2.99 0.00 0.00 2.62 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.58 0.00 190 D 8.25 4.59 0.00 2.99 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 0.00 191 Y 7.95 4.20 0.00 2.95 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 0.00 0.00 0.00 192 F 7.18 5.20 0.00 2.89 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 0.00 193 V 8.62 3.75 2.29 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 0.55 0.00 0.00 1.07 0.00 0.00 194 P 0.00 4.45 0.00 2.16 2.24 0.00 3.89 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.14 0.00 195 D 8.91 4.43 0.00 2.74 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 0.00 196 N 8.22 4.41 0.00 2.84 2.99 0.00 0.00 5.95 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 0.00 197 E 8.13 4.55 0.00 2.26 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 0.00 2.39 2.36 0.00 198 L 7.89 4.86 0.00 1.80 1.54 0.91 0.20 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 0.00 199 P 0.00 4.68 0.00 2.46 2.59 0.00 3.87 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 200 P 0.00 3.76 0.00 2.20 2.19 0.00 3.63 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 2.16 2.19 0.00 201 L 7.81 4.25 0.00 1.22 1.19 0.98 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 202 V 7.94 4.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 1.19 0.00 0.00 203 H 8.03 4.57 0.00 3.29 3.47 0.00 5.72 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 S 9.58 4.64 0.00 4.12 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 0.00 205 G 6.99 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 0.00 206 F 7.48 4.68 0.00 1.51 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 0.00 0.00 0.00 207 N 8.08 4.97 0.00 2.50 2.61 0.00 0.00 7.05 8.02 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 0.00 208 P 0.00 3.35 0.00 1.74 1.48 0.00 3.53 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.32 0.00 209 S 7.54 4.35 0.00 3.81 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 0.00 210 F 9.06 4.72 0.00 2.56 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 0.00 0.00 0.00 211 I 8.64 5.31 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.66 0.94 0.00 0.00 212 A 8.91 5.29 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 0.00 213 T 8.97 4.98 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 0.63 0.00 0.00 214 V 8.88 5.12 2.41 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 0.87 0.00 0.00 1.22 0.00 0.00 215 S 9.25 5.32 0.00 3.84 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 H 8.43 5.06 0.00 2.28 1.39 0.00 5.59 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 E 8.23 4.07 0.00 1.75 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 218 K 8.49 3.95 0.00 1.64 1.70 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.30 7.81 219 G 8.82 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 8.11 4.42 0.00 4.08 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 0.00 221 G 7.58 4.55 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 0.00 222 D 8.37 4.91 0.00 2.70 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 0.00 223 T 7.82 5.70 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 224 S 8.33 4.71 0.00 3.91 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 0.00 225 E 8.52 5.02 0.00 1.81 1.78 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 2.28 2.26 0.00 226 F 9.60 5.09 0.00 3.10 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 0.00 227 E 9.65 5.14 0.00 1.88 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 228 I 8.78 5.05 2.09 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.93 0.99 0.00 0.00 229 T 9.33 5.03 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 1.15 0.00 0.00 230 Y 8.72 5.21 0.00 2.84 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 0.00 231 G 8.61 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 R 8.49 5.15 0.00 1.67 1.49 0.00 2.93 0.00 0.00 3.52 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.64 0.00 233 N 9.05 5.29 0.00 2.68 2.67 0.00 0.00 7.22 7.24 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 0.00 234 M 9.19 4.94 0.00 1.88 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.65 0.00 235 D 8.67 5.06 0.00 1.58 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 0.00 0.00 0.00 236 V 8.19 4.91 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 0.96 0.00 0.00 1.20 0.00 0.00 237 T 9.14 5.16 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 238 H 9.37 5.54 0.00 3.08 3.11 0.00 5.77 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 0.00 239 A 9.17 5.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 T 8.84 4.99 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 241 R 8.65 4.17 0.00 1.62 1.77 0.00 3.08 0.00 0.00 2.82 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.07 0.00 242 R 8.56 4.61 0.00 0.67 1.41 0.00 3.06 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 1.34 1.38 0.00 243 T 8.41 4.65 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 1.23 0.00 0.00 *248 N 8.28 4.66 0.00 2.79 2.72 0.00 0.00 6.58 7.64 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 0.00 249 S 8.34 5.14 0.00 3.73 3.37 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 0.00 250 Y 7.81 4.73 0.00 2.96 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 251 L 8.36 4.82 0.00 1.25 1.24 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 252 E 8.97 4.67 0.00 2.08 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 253 G 9.13 4.57 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 0.00 254 S 9.05 5.01 0.00 3.85 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 0.00 255 R 8.53 5.11 0.00 1.84 1.81 0.00 3.48 0.00 0.00 3.57 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.77 0.00 256 I 8.71 4.35 1.86 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.18 0.81 0.00 0.00 257 H 8.51 5.06 0.00 3.01 3.06 0.00 5.70 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 0.00 258 N 8.70 3.89 0.00 2.61 2.68 0.00 0.00 6.96 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 259 A 7.85 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 260 F 8.11 4.59 0.00 3.10 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 0.00 261 V 8.08 4.28 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 0.68 0.00 0.00 0.91 0.00 0.00 262 N 8.79 4.21 0.00 2.83 2.81 0.00 0.00 6.83 7.28 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 0.00 263 R 8.05 4.57 0.00 1.50 1.84 0.00 3.22 0.00 0.00 3.17 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 264 N 7.53 5.10 0.00 2.31 2.51 0.00 0.00 6.46 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 265 Y 8.72 4.43 0.00 2.71 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 0.00 266 T 9.24 4.82 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 1.16 0.00 0.00 267 V 8.39 4.35 1.71 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 0.18 0.00 0.00 0.21 0.00 0.00 268 K 8.60 4.88 0.00 1.46 1.67 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.29 1.27 7.81 269 Y 9.39 5.18 0.00 3.01 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 0.00 270 E 9.54 5.04 0.00 1.97 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 2.15 2.21 0.00 271 V 8.66 4.74 1.94 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 0.64 0.00 0.00 0.48 0.00 0.00 272 N 8.08 5.20 0.00 2.60 2.51 0.00 0.00 7.35 9.28 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 0.00 273 W 9.00 4.33 0.00 3.22 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 274 K 8.50 4.17 0.00 1.77 1.71 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 0.99 7.81 275 T 8.43 4.19 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 1.14 0.00 0.00 276 H 8.08 3.04 0.00 3.02 2.96 0.00 5.66 0.00 0.00 0.00 0.00 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 277 E 7.25 4.44 0.00 1.93 1.71 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 2.19 2.23 0.00 278 I 8.35 4.68 1.67 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.37 0.34 0.00 0.00 279 K 8.93 4.59 0.00 1.36 1.60 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 1.23 7.81 280 V 8.53 4.10 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 0.84 0.00 0.00 1.01 0.00 0.00 281 K 9.22 4.19 0.00 1.58 1.80 0.00 1.89 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.59 1.51 7.81 282 G 7.35 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 283 H 7.70 4.89 0.00 3.26 3.13 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 284 N 8.61 4.70 0.00 3.05 2.92 0.00 0.00 6.78 8.78 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 * Residues marked with a * may have inaccurate shift predictions.