NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4423 8.2893 118.1928 54.6285 32.7743 175.3758 2 S 4.1199 8.1218 114.3993 57.5611 65.0361 173.5825 3 A 3.9229 8.6388 125.0981 55.4803 18.5980 181.2003 4 I 3.7111 7.8194 119.0539 64.7917 37.8741 178.4640 5 E 3.9615 7.7508 118.1144 60.9709 29.3303 180.8814 6 R 4.1876 8.0633 119.9630 59.4872 30.0174 178.8423 7 I 3.5603 7.9901 118.5768 63.6362 37.1098 177.4645 8 T 4.3375 7.4529 108.5277 60.6898 69.6041 175.1669 9 K 4.0475 7.3078 121.4184 56.4567 32.7869 177.6037 10 A 3.9583 8.8674 125.6976 55.5043 18.2540 178.8573 11 A 4.1930 7.8578 115.9959 54.0291 18.9983 177.2376 12 H 4.2683 7.9509 116.5299 55.7915 30.4046 174.4290 13 L 4.7400 7.8590 125.8148 52.5861 43.5910 176.4891 14 I 4.6085 8.7410 124.9305 61.0246 37.7383 175.0084 15 D 5.1056 8.4893 122.5415 51.8369 42.8821 175.6526 16 M 4.0763 8.7707 117.2448 58.4568 31.9078 178.5125 17 N 4.5315 8.6783 115.4628 55.3805 38.9273 175.7724 18 D 4.4736 8.3175 117.9446 55.3931 41.3929 175.6645 19 I 4.5194 7.1371 120.8384 60.0409 37.5107 176.0999 20 I 4.0774 8.6956 122.0293 60.8950 38.8074 175.4347 21 R 4.9012 8.2479 121.6852 53.8532 33.6651 174.9379 22 E 4.1633 8.4045 120.0603 57.7988 30.2046 177.4284 23 G 4.1076 8.8928 109.3359 45.6044 0.0000 173.6731 24 N 4.4839 8.0873 119.2598 52.4523 39.4049 173.6656 25 P 4.2787 0.0000 0.0000 66.3442 31.2262 178.5314 26 T 3.8492 8.3305 114.2302 66.4656 68.3960 175.8988 27 L 4.2829 8.0117 119.5095 56.0225 41.4673 178.1508 28 R 4.7839 7.9132 117.0190 55.8347 31.0122 175.3843 29 T 4.6034 7.3763 108.8425 60.0203 70.9521 174.4650 30 V 4.1224 8.2077 123.3582 62.2369 32.1830 175.6799 31 A 4.5113 8.6353 130.3214 51.3973 19.3539 176.7455 32 E 4.2286 8.8286 120.3473 55.7433 30.7885 176.4655 33 E 4.4535 8.7923 124.7963 56.5236 30.5231 176.5469 34 V 4.1256 8.9447 118.9947 60.4051 33.1221 175.8195 35 T 4.4880 7.8223 111.6648 59.9269 71.0382 173.6257 36 F 4.6611 8.1864 120.7775 54.7060 41.4072 174.1756 37 P 4.6085 0.0000 0.0000 62.2990 32.0050 176.2816 38 L 4.0340 8.0234 119.8441 54.4668 42.5269 177.8580 39 S 4.4411 8.8008 117.1084 57.8703 65.3066 175.2263 40 D 4.3719 8.5157 122.1430 57.7273 40.5614 179.0999 41 Q 4.0430 8.0264 118.0101 59.0959 28.6329 178.6244 42 E 4.2119 8.3664 119.5715 59.2178 29.4117 179.5863 43 I 4.0224 7.6046 121.0340 64.0271 37.1957 178.4598 44 I 3.9092 8.1794 121.1105 64.2403 36.8028 178.1659 45 L 4.0541 8.6329 121.6986 58.1908 41.9192 179.3040 46 G 3.6137 8.0279 105.4229 47.9057 0.0000 175.5093 47 E 4.0350 8.2818 121.0258 59.1369 29.4523 179.6358 48 K 4.0205 8.4430 118.9861 59.6087 32.1170 179.3901 49 M 4.0910 8.3973 119.4409 58.6612 31.9284 178.5240 50 M 4.0230 8.2041 118.3993 58.5303 32.3547 178.0121 51 Q 3.8814 8.4091 120.1545 58.9580 29.2132 177.9248 52 F 4.0827 8.3992 121.7640 61.3801 39.2090 177.1190 53 L 3.8375 7.7167 117.2307 57.6223 41.5603 179.4031 54 K 4.1221 8.0181 118.4582 59.6820 32.0070 179.2007 55 H 4.2526 8.4532 117.2055 58.8492 28.5477 178.0317 56 S 4.0167 8.1746 116.0273 60.5839 62.4184 175.4382 57 Q 4.5330 7.3912 119.2236 54.6476 29.1804 174.5632 58 D 4.7000 7.4102 121.6885 52.2482 42.2635 174.7213 59 P 4.4782 0.0000 0.0000 65.7859 31.4216 178.6601 60 V 3.5386 7.7333 116.1730 66.3101 31.4926 177.6050 61 M 3.9561 9.9314 118.1756 58.5184 32.0852 177.8710 62 A 3.9249 8.9483 122.1442 55.0912 18.5235 179.3326 63 E 3.8389 8.2235 117.6888 59.4537 29.5857 179.0961 64 K 3.9631 7.7377 117.0836 59.4314 32.2374 178.3807 65 M 4.3532 8.1743 116.1376 54.2886 32.8446 175.9376 66 G 3.8246 7.7042 106.5090 46.6464 0.0000 173.7498 67 L 4.7434 8.1585 118.0830 52.8449 43.8684 176.9761 68 R 4.4882 8.3487 120.4864 54.6223 31.4998 176.9143 69 G 3.8082 8.5192 111.2400 45.5089 0.0000 172.9873 70 G 4.2866 8.2459 110.7591 44.3224 0.0000 172.7498 71 V 4.4823 7.7215 110.0444 59.7070 33.7995 175.3948 72 G 4.3639 7.8401 105.9162 45.6987 0.0000 172.4257 73 L 4.8595 8.8470 121.5323 53.7007 46.1382 173.7720 74 A 5.0756 8.9911 127.1640 49.7879 21.6730 177.1649 75 A 3.8430 8.8191 124.2605 54.9773 18.8272 178.5822 76 P 4.5321 0.0000 0.0000 64.9936 31.2819 178.3462 77 Q 4.0827 8.2869 116.4592 57.3680 28.2650 177.2604 78 L 4.8273 7.5863 120.5638 52.8828 42.1877 175.5228 79 D 4.4043 8.0775 116.8556 55.3320 39.5919 173.5308 80 I 4.3080 7.4929 118.1216 59.1763 39.2609 175.9586 81 S 4.7924 8.3261 125.1596 57.2474 60.2074 172.8347 82 K 4.8774 7.5010 119.5151 54.3571 36.3429 178.8264 83 R 4.3976 8.4087 123.3739 55.3042 28.5503 174.5919 84 I 4.9861 7.4941 120.9181 59.2675 41.8210 174.7239 85 I 5.0641 8.7144 119.1850 59.0742 41.7357 173.8434 86 A 5.0872 9.1145 124.2054 50.2706 22.3013 175.5780 87 V 4.7109 8.6701 114.3717 59.5546 35.7674 175.1188 88 L 4.5479 9.1968 127.0395 54.0598 44.7398 174.4645 89 V 4.7610 9.0384 128.3665 60.1755 33.2546 173.5220 90 P 4.8896 0.0000 0.0000 62.6341 32.2410 176.1981 91 N 4.2959 8.6268 119.2705 56.7646 39.2155 174.8957 *103 Y 4.6377 7.4884 113.2624 57.8517 39.1142 174.9041 104 D 4.5404 9.1304 124.2090 56.5787 41.9474 176.3949 105 L 4.7283 7.7066 120.3258 53.4275 45.7714 174.7361 106 E 4.9304 8.7392 126.5973 55.1889 32.0740 173.7844 107 A 4.6253 9.0193 128.1499 50.7954 23.3057 174.5357 108 I 4.5482 8.2936 121.6988 59.7657 39.2971 174.9689 109 M 4.7183 8.8366 127.0527 53.6115 34.9271 174.2504 110 Y 4.8774 9.4068 121.3339 56.9600 40.6451 175.8802 111 N 4.3602 9.0579 121.7676 53.6070 37.0289 173.1190 112 P 4.8559 0.0000 0.0000 63.0778 32.6488 175.7602 113 K 4.6567 8.9692 121.0541 55.2400 36.1425 174.7659 114 I 4.4663 8.4992 128.3417 61.4836 37.2026 176.0229 115 V 4.3331 8.7547 120.3047 61.6537 33.2416 176.0357 116 S 4.7734 7.7216 114.4258 57.3228 65.6358 172.5050 117 H 5.4921 8.2807 120.4321 53.7637 31.5553 173.0341 118 S 4.3484 8.6385 114.7553 58.2337 63.4159 174.7307 119 V 3.7312 8.4174 121.1191 65.9473 31.8796 176.7031 120 Q 4.1716 8.0202 120.4606 56.6257 30.1695 175.2165 121 D 5.5254 9.0432 124.5699 52.9910 44.4785 174.7120 122 A 5.2235 9.0775 120.1119 51.3690 23.3081 175.1258 123 A 4.9707 8.8295 119.9076 50.4486 23.3822 176.2089 124 L 4.3764 8.7123 121.4081 54.3232 42.6303 178.4996 125 G 3.8313 9.3095 114.0551 48.9025 0.0000 174.3395 126 E 4.2325 8.2789 114.7065 55.8784 29.8135 177.6220 127 G 3.9972 8.2242 109.3572 44.3842 0.0000 172.6533 128 E 4.6314 8.5180 116.3758 54.3387 33.4569 176.2482 129 G 3.9847 7.7704 110.7007 44.5147 0.0000 172.9646 *131 L 4.3474 8.4303 118.4006 54.6300 43.7587 177.5424 132 S 4.5158 8.0081 113.0648 58.1978 63.3381 173.3036 133 V 4.5089 7.7049 120.4440 61.3701 32.5956 175.0531 134 D 4.7286 9.3083 129.0387 51.8697 39.5639 176.2900 135 R 4.6845 7.0363 119.1533 55.5590 30.8048 173.5857 136 N 5.1176 8.1434 114.7031 51.5420 41.4286 174.9888 137 V 4.2633 8.3734 120.7562 60.2038 32.5659 173.4091 138 P 4.5347 0.0000 0.0000 62.3088 32.5408 175.1055 139 G 3.1414 7.9397 103.8746 42.8266 0.0000 172.1655 140 Y 4.4774 8.0476 119.2001 57.2430 39.1753 175.3167 141 V 4.2164 8.5197 125.2389 61.5749 32.1884 175.3791 142 V 3.9249 8.3656 129.7297 62.8781 32.1007 175.2797 143 R 4.7199 8.9447 126.1496 54.4108 35.0899 174.0057 144 H 4.6856 8.8889 117.0974 56.0673 28.7615 176.3686 145 A 4.2236 8.8942 125.0564 54.7272 18.8153 178.1890 146 R 4.9579 8.5535 113.7006 54.6995 34.3516 175.2723 147 V 5.0137 8.5572 113.9045 60.2496 36.8424 174.0373 148 T 4.9525 9.0018 120.4048 61.8902 70.9652 173.5644 149 V 4.8712 9.0515 126.6288 61.1955 34.5976 173.7225 150 D 5.4964 9.0573 127.9928 53.1077 43.1637 175.0802 151 Y 5.2481 8.3772 119.6225 56.2714 42.1610 173.1870 152 F 5.2119 9.8375 119.0808 56.0016 42.1281 175.8026 153 D 5.7785 8.7547 122.5472 51.8886 41.8719 176.9406 154 K 3.6498 9.1416 116.7120 59.9399 31.5793 177.0917 155 D 4.6585 8.7638 118.4189 53.8017 40.7752 177.6762 156 G 3.3354 8.4108 106.9670 45.6207 0.0000 173.8305 157 E 4.2401 7.7133 120.0872 55.5441 30.8446 175.7590 158 K 3.9660 8.1818 124.5531 55.6682 33.5303 175.3987 159 H 4.6603 8.4235 123.2337 53.7416 32.8749 172.6851 160 R 4.9531 8.4113 121.1606 54.7040 32.4006 174.1001 161 I 4.7409 9.1028 120.3023 58.9801 41.2072 174.3919 162 K 5.1143 8.6108 122.0892 54.7464 34.5442 175.5575 163 L 5.0725 8.9906 124.1203 53.0791 46.1807 175.5107 164 K 4.8223 8.3470 119.2254 55.9696 36.3691 176.1271 165 G 3.8111 8.8642 107.7806 46.6529 0.0000 175.0862 166 Y 4.2398 8.7080 118.6306 60.9001 38.8878 178.0661 167 N 4.1016 8.2406 116.9698 56.3008 38.6821 177.0115 168 S 4.0730 7.9108 113.9088 61.4148 62.3916 176.3030 169 I 3.6613 7.4853 122.0359 64.3546 36.8953 178.5433 170 V 3.3511 7.5143 119.0393 66.0033 31.2180 178.2773 171 V 3.5462 7.7223 117.8984 66.0744 31.3530 178.0612 172 Q 3.9817 8.1851 117.8805 58.8888 28.2414 178.1826 173 H 4.0439 8.1943 118.9430 59.3838 29.8825 176.9478 174 E 4.1807 8.2739 120.3633 59.4906 29.3675 179.3981 175 I 3.7986 8.1328 120.2249 64.3384 36.9888 178.0844 176 D 4.3420 8.1841 119.9090 57.7624 40.5994 178.5086 177 H 4.1667 7.8927 116.3665 58.6320 28.6544 177.0756 178 I 4.1220 7.7392 112.3021 61.8580 37.5165 176.5089 179 N 4.8559 7.7121 116.7076 52.6855 39.1912 174.4050 180 G 4.0956 7.9538 106.1143 47.7492 0.0000 173.7991 181 I 4.5174 7.8381 119.6133 59.2277 39.8041 175.4329 182 M 4.4180 8.3877 124.0098 52.8697 34.3635 177.0671 183 F 4.1160 8.5956 116.8059 60.1666 38.2364 177.1613 184 Y 3.9688 5.7187 118.3150 58.8908 37.9321 177.4771 185 D 4.4376 7.4689 120.2356 56.6271 41.1478 177.2086 186 R 4.4891 8.0275 116.9243 55.7408 30.5196 175.4341 187 I 4.9905 7.1709 118.8381 59.0812 38.0077 175.2663 188 N 4.4308 8.5380 122.8910 53.4046 38.7815 174.9328 189 E 3.9341 9.0750 126.1506 59.7066 29.0265 178.7539 190 K 3.7149 7.6693 115.7758 58.3520 32.7024 176.5245 191 D 4.8069 7.6130 126.8608 51.4319 42.1933 174.8844 192 P 4.3256 0.0000 0.0000 64.0905 31.3157 177.9726 193 F 4.2105 7.8327 115.9080 56.6665 39.3385 175.2665 194 A 4.2214 8.0168 124.4535 52.5455 18.4872 179.0165 195 V 4.2062 8.2033 124.9462 61.0025 31.3945 176.1116 196 K 4.2150 8.0627 126.7542 53.5184 32.5255 175.3161 197 D 4.5613 8.3705 118.9071 56.3450 41.6990 176.7623 198 G 3.8622 8.9911 113.1988 45.3292 0.0000 171.6654 199 L 4.8698 7.5681 121.6608 53.1282 43.4388 175.3241 200 L 4.4803 8.7151 129.5523 53.8585 43.7079 174.9646 201 I 4.4534 8.1714 127.4000 59.9398 38.5679 175.7663 202 L 4.2901 9.0136 126.7623 54.8843 41.7651 176.8127 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.29 4.44 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 2 S 8.12 4.12 0.00 4.13 4.02 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 3 A 8.64 3.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.82 3.71 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.31 0.89 0.00 0.00 5 E 7.75 3.96 0.00 2.07 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 2.26 2.19 0.00 6 R 8.06 4.19 0.00 1.90 2.04 0.00 3.06 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 7 I 7.99 3.56 1.88 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 1.42 0.57 0.88 0.00 0.00 8 T 7.45 4.34 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 1.27 0.00 0.00 9 K 7.31 4.05 0.00 1.88 1.79 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.77 1.54 7.81 10 A 8.87 3.96 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.86 4.19 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 H 7.95 4.27 0.00 3.13 3.40 0.00 5.89 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.86 4.74 0.00 1.61 1.60 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.74 4.61 2.02 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 1.14 0.53 0.54 0.00 0.00 15 D 8.49 5.11 0.00 2.91 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 16 M 8.77 4.08 0.00 2.11 2.22 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 2.87 2.68 0.00 17 N 8.68 4.53 0.00 2.90 2.89 0.00 0.00 7.00 7.62 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 18 D 8.32 4.47 0.00 2.73 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 19 I 7.14 4.52 1.96 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.22 0.87 0.00 0.00 20 I 8.70 4.08 1.86 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 1.31 0.50 0.89 0.00 0.00 21 R 8.25 4.90 0.00 1.75 1.99 0.00 3.50 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 22 E 8.40 4.16 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 23 G 8.89 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.09 4.48 0.00 2.79 2.76 0.00 0.00 7.05 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 25 P 0.00 4.28 0.00 2.19 2.11 0.00 3.66 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 26 T 8.33 3.85 4.23 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 1.26 0.00 0.00 27 L 8.01 4.28 0.00 1.74 1.73 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.91 4.78 0.00 1.87 1.91 0.00 3.31 0.00 0.00 3.43 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 29 T 7.38 4.60 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 1.24 0.00 0.00 30 V 8.21 4.12 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 0.83 0.00 0.00 0.93 0.00 0.00 31 A 8.64 4.51 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.83 4.23 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 33 E 8.79 4.45 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 34 V 8.94 4.13 1.84 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 0.84 0.00 0.00 0.86 0.00 0.00 35 T 7.82 4.49 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 1.15 0.00 0.00 36 F 8.19 4.66 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 37 P 0.00 4.61 0.00 2.18 2.09 0.00 3.77 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 1.97 1.99 0.00 38 L 8.02 4.03 0.00 1.48 1.40 -0.03 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.80 4.44 0.00 4.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.52 4.37 0.00 2.70 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.03 4.04 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 42 E 8.37 4.21 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 43 I 7.60 4.02 2.05 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 1.47 1.59 0.96 0.00 0.00 44 I 8.18 3.91 2.03 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 1.43 0.83 0.96 0.00 0.00 45 L 8.63 4.05 0.00 1.78 1.88 0.89 1.00 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 46 G 8.03 3.61 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 0.00 47 E 8.28 4.04 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 48 K 8.44 4.02 0.00 1.91 1.90 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.71 1.79 7.81 49 M 8.40 4.09 0.00 2.01 2.24 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.48 0.00 50 M 8.20 4.02 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 51 Q 8.41 3.88 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.16 0.00 52 F 8.40 4.08 0.00 3.23 3.28 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 53 L 7.72 3.84 0.00 1.76 1.64 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.02 4.12 0.00 1.87 1.86 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.55 7.81 55 H 8.45 4.25 0.00 3.13 3.22 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.17 4.02 0.00 3.95 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.39 4.53 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 58 D 7.41 4.70 0.00 2.71 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.48 0.00 2.18 2.08 0.00 3.65 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 2.11 2.14 0.00 60 V 7.73 3.54 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.92 0.00 0.00 61 M 9.93 3.96 0.00 2.29 2.00 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 2.43 2.35 0.00 62 A 8.95 3.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.22 3.84 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 2.30 2.34 0.00 64 K 7.74 3.96 0.00 1.89 1.85 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.76 7.81 65 M 8.17 4.35 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 66 G 7.70 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 67 L 8.16 4.74 0.00 1.54 1.53 0.78 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.35 4.49 0.00 1.88 1.89 0.00 3.25 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 69 G 8.52 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 0.00 0.00 0.00 70 G 8.25 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 0.00 0.00 0.00 0.00 71 V 7.72 4.48 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 1.03 0.00 0.00 0.89 0.00 0.00 72 G 7.84 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.85 4.86 0.00 1.82 1.47 0.80 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.99 5.08 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 75 A 8.82 3.84 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 76 P 0.00 4.53 0.00 2.13 2.09 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 77 Q 8.29 4.08 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.20 2.09 0.00 78 L 7.59 4.83 0.00 1.61 1.57 0.82 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.08 4.40 0.00 2.75 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 80 I 7.49 4.31 1.96 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 1.27 1.21 0.89 0.00 0.00 81 S 8.33 4.79 0.00 3.89 3.75 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 82 K 7.50 4.88 0.00 1.61 1.65 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.41 7.81 83 R 8.41 4.40 0.00 2.01 1.93 0.00 3.21 0.00 0.00 3.21 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 84 I 7.49 4.99 1.75 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.76 0.44 0.00 0.00 85 I 8.71 5.06 1.79 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 1.03 1.03 0.91 0.00 0.00 86 A 9.11 5.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.67 4.71 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.84 0.00 0.00 88 L 9.20 4.55 0.00 1.44 1.36 -0.32 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 89 V 9.04 4.76 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.83 0.00 0.00 90 P 0.00 4.89 0.00 2.25 2.18 0.00 3.97 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 2.07 2.04 0.00 91 N 8.63 4.30 0.00 2.68 2.84 0.00 0.00 7.02 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 *103 Y 7.49 4.64 0.00 3.07 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 9.13 4.54 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 0.00 105 L 7.71 4.73 0.00 1.76 1.42 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.74 4.93 0.00 1.79 1.74 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 2.07 2.03 0.00 107 A 9.02 4.63 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 0.00 108 I 8.29 4.55 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.64 0.73 0.00 0.00 109 M 8.84 4.72 0.00 1.61 1.66 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.81 0.00 110 Y 9.41 4.88 0.00 3.58 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 N 9.06 4.36 0.00 3.14 3.03 0.00 0.00 7.04 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 0.00 112 P 0.00 4.86 0.00 2.21 2.07 0.00 3.84 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 2.02 1.94 0.00 113 K 8.97 4.66 0.00 1.88 1.71 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.47 7.81 114 I 8.50 4.47 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.68 0.97 0.00 0.00 115 V 8.75 4.33 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 0.69 0.00 0.00 1.00 0.00 0.00 116 S 7.72 4.77 0.00 3.84 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.28 5.49 0.00 2.88 3.00 0.00 5.58 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.64 4.35 0.00 3.93 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 0.00 119 V 8.42 3.73 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 0.80 0.00 0.00 0.93 0.00 0.00 120 Q 8.02 4.17 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.50 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 121 D 9.04 5.53 0.00 2.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 9.08 5.22 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 0.00 123 A 8.83 4.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.71 4.38 0.00 1.79 1.91 1.12 1.04 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 0.00 125 G 9.31 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.28 4.23 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 127 G 8.22 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 0.00 128 E 8.52 4.63 0.00 1.64 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 2.15 2.28 0.00 129 G 7.77 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 *131 L 8.43 4.35 0.00 1.72 1.83 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 132 S 8.01 4.52 0.00 3.96 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 0.00 133 V 7.70 4.51 2.40 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 1.10 0.00 0.00 1.27 0.00 0.00 134 D 9.31 4.73 0.00 2.73 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 R 7.04 4.68 0.00 2.05 2.08 0.00 2.95 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.43 0.00 136 N 8.14 5.12 0.00 2.74 2.81 0.00 0.00 6.52 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.37 4.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.86 0.00 0.00 138 P 0.00 4.53 0.00 2.54 2.19 0.00 3.85 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 139 G 7.94 3.14 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 0.00 140 Y 8.05 4.48 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 V 8.52 4.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.15 0.00 0.00 142 V 8.37 3.92 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.01 0.00 0.00 143 R 8.94 4.72 0.00 1.82 1.96 0.00 3.18 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.77 0.00 144 H 8.89 4.69 0.00 3.14 3.23 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.89 4.22 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 R 8.55 4.96 0.00 1.73 1.79 0.00 3.10 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 147 V 8.56 5.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.95 0.00 0.00 148 T 9.00 4.95 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 1.24 0.00 0.00 149 V 9.05 4.87 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.96 0.00 0.00 150 D 9.06 5.50 0.00 2.71 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.38 5.25 0.00 3.26 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 0.00 152 F 9.84 5.21 0.00 3.36 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 D 8.75 5.78 0.00 3.02 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 0.00 154 K 9.14 3.65 0.00 1.91 2.16 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.54 7.81 155 D 8.76 4.66 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 0.00 156 G 8.41 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 0.00 0.00 0.00 157 E 7.71 4.24 0.00 2.18 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 2.28 2.25 0.00 158 K 8.18 3.97 0.00 1.16 1.33 0.00 1.46 0.00 0.00 1.49 0.00 0.00 2.77 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.92 0.50 7.81 159 H 8.42 4.66 0.00 1.53 2.63 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 R 8.41 4.95 0.00 1.70 1.69 0.00 3.12 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.64 0.00 161 I 9.10 4.74 1.94 0.00 0.00 1.00 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 1.05 1.03 0.00 0.00 162 K 8.61 5.11 0.00 1.63 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.43 7.81 163 L 8.99 5.07 0.00 1.54 1.58 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 164 K 8.35 4.82 0.00 1.79 1.90 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.47 7.81 165 G 8.86 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 0.00 0.00 0.00 166 Y 8.71 4.24 0.00 3.00 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 0.00 167 N 8.24 4.10 0.00 2.91 2.82 0.00 0.00 6.76 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 0.00 168 S 7.91 4.07 0.00 4.04 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 I 7.49 3.66 1.95 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 1.68 0.83 0.92 0.00 0.00 170 V 7.51 3.35 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.11 0.00 0.00 171 V 7.72 3.55 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 1.01 0.00 0.00 0.89 0.00 0.00 172 Q 8.19 3.98 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 173 H 8.19 4.04 0.00 3.15 3.52 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 E 8.27 4.18 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 175 I 8.13 3.80 1.86 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 1.52 1.04 0.92 0.00 0.00 176 D 8.18 4.34 0.00 2.83 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 H 7.89 4.17 0.00 3.35 3.28 0.00 5.61 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 I 7.74 4.12 1.87 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 1.57 0.86 0.90 0.00 0.00 179 N 7.71 4.86 0.00 2.80 2.84 0.00 0.00 7.01 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 G 7.95 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 0.00 181 I 7.84 4.52 1.90 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 1.24 0.80 0.86 0.00 0.00 182 M 8.39 4.42 0.00 1.03 0.83 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 183 F 8.60 4.12 0.00 3.34 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 0.00 184 Y 5.72 3.97 0.00 2.89 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 0.00 185 D 7.47 4.44 0.00 2.63 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 0.00 186 R 8.03 4.49 0.00 1.87 2.04 0.00 3.08 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 187 I 7.17 4.99 1.86 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 1.37 1.70 0.90 0.00 0.00 188 N 8.54 4.43 0.00 2.81 2.84 0.00 0.00 7.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 E 9.07 3.93 0.00 1.99 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 2.31 2.36 0.00 190 K 7.67 3.71 0.00 1.90 1.79 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.45 7.81 191 D 7.61 4.81 0.00 2.74 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 P 0.00 4.33 0.00 1.85 2.20 0.00 3.92 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.03 0.00 193 F 7.83 4.21 0.00 2.92 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 A 8.02 4.22 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 0.00 195 V 8.20 4.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.11 0.00 0.00 196 K 8.06 4.22 0.00 1.72 1.68 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.44 1.00 7.81 197 D 8.37 4.56 0.00 2.62 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 0.00 198 G 8.99 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 L 7.57 4.87 0.00 1.66 1.72 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 200 L 8.72 4.48 0.00 1.77 1.72 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 201 I 8.17 4.45 1.74 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 1.10 0.58 0.72 0.00 0.00 202 L 9.01 4.29 0.00 1.57 1.57 0.98 0.74 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 * Residues marked with a * may have inaccurate shift predictions.