NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3850 8.3149 120.0956 55.8225 33.9915 175.2831 7 P 4.6598 0.0000 0.0000 61.6663 33.7664 173.0471 8 I 4.8494 8.9796 120.9228 59.6273 41.1032 174.6037 9 E 4.9793 9.1848 126.8195 54.4020 32.6028 174.5822 10 I 4.5456 8.5498 128.8153 61.0785 38.9072 175.2477 11 I 4.7196 8.9173 127.4644 59.3764 40.5429 174.7520 12 G 4.6612 9.0945 115.4064 44.8915 0.0000 172.1823 13 A 5.4442 8.6996 126.8247 49.3062 18.5033 174.2320 14 P 4.9826 0.0000 0.0000 61.7258 29.4140 176.1546 15 F 5.0930 8.2415 127.6220 56.9972 43.0941 175.3684 16 S 5.2048 7.2565 115.5614 57.1081 64.1794 175.1868 17 K 3.9899 6.0753 118.5807 57.6539 32.0274 178.0362 18 G 3.8343 8.0475 108.2271 46.6657 0.0000 173.2655 19 Q 4.6914 7.6090 117.1745 53.5393 31.6417 173.9164 20 P 4.0111 0.0000 0.0000 64.8499 31.3021 176.4884 21 R 4.6093 7.1321 117.2092 54.0360 32.4542 175.9643 22 G 3.8441 8.5425 110.0181 45.0402 0.0000 172.1698 23 G 3.8453 8.8306 112.8327 46.9528 0.0000 176.7624 24 V 3.8601 7.7157 115.1240 63.1586 31.2183 177.8884 25 E 4.4174 8.0803 116.2854 58.4141 30.0374 177.9821 26 K 4.4196 8.3350 118.7649 56.6096 32.3259 178.6683 27 G 3.6979 7.8607 107.2340 47.5462 0.0000 173.7828 28 P 4.2597 0.0000 0.0000 64.9402 31.2789 178.3530 29 A 3.9778 8.0762 118.7194 55.2179 18.3361 179.2204 30 A 3.9448 8.0713 118.9220 55.4745 18.2719 179.8042 31 L 3.9734 8.1282 117.4957 58.0021 41.5780 180.1470 32 R 3.9351 8.1531 117.9464 59.2003 29.8694 179.0007 33 K 3.8813 8.2175 118.1374 59.1658 32.1967 177.7241 34 A 4.3485 7.6483 118.2296 52.2173 18.6514 177.7888 35 G 3.8572 8.2774 106.6193 45.6179 0.0000 175.5315 36 L 3.9115 7.7553 123.5800 58.1491 41.8921 179.3585 37 V 3.5920 7.6913 117.4284 65.7822 31.6963 177.6823 38 E 3.9372 8.0760 117.8453 59.5296 29.4408 179.2968 39 K 4.0861 8.4059 118.7970 59.5064 32.0291 179.4136 40 L 4.0309 7.9573 119.2717 57.6941 41.3228 179.5990 41 K 4.0432 7.9286 117.2554 58.8068 31.9539 177.5180 42 E 4.3358 7.6295 117.0511 56.5567 29.3829 176.1439 43 T 4.5807 7.6633 110.5039 60.0383 71.0730 173.9110 44 E 4.4088 8.4785 119.2765 56.6055 29.3869 176.6337 45 Y 4.8110 7.5616 114.0390 56.4149 42.5506 174.6286 46 N 4.7772 8.7661 120.2701 52.4436 40.3863 174.0067 47 V 4.7054 8.5642 126.2649 61.7719 33.6673 175.2670 *48 R 4.6059 8.8984 128.8202 55.0746 32.3858 170.8561 49 D 4.9645 8.6142 124.6797 51.9769 41.0213 175.4949 50 H 4.0633 8.9475 127.7814 57.7056 30.7666 175.7181 51 G 3.8724 8.7017 104.6738 44.4654 0.0000 171.0965 52 D 5.2083 8.1875 117.4932 52.9643 42.3432 176.8287 53 L 4.1726 8.5817 123.4838 54.6567 42.4965 176.3508 54 A 4.4593 8.0158 124.0739 50.3333 20.5042 176.1657 55 F 4.7037 8.7583 124.2809 56.4780 40.6050 176.7002 *56 V 3.8581 8.3630 123.5609 59.9717 32.1368 171.8514 57 D 4.5601 8.6675 125.5158 52.5438 41.4135 175.7704 58 V 3.7778 7.7390 125.3119 61.7975 31.6127 173.9934 59 P 4.2989 0.0000 0.0000 63.7171 32.4341 175.4827 60 N 4.0792 8.5152 117.0445 54.9505 36.9498 175.6752 61 D 4.7254 7.4891 120.0568 52.7616 40.3667 175.1324 62 S 4.3293 7.8140 117.3705 57.1739 64.0008 172.8939 63 P 4.4402 0.0000 0.0000 62.9044 30.9646 175.6562 64 F 4.6363 8.2365 125.1988 59.7791 41.5569 177.0022 65 Q 4.2306 8.2952 117.3810 56.3096 29.5916 176.9257 66 I 3.9042 8.9813 130.9101 63.6681 39.4039 174.8719 67 V 4.3314 7.8183 120.1699 62.5392 31.7217 174.7400 68 K 4.8135 8.4974 126.0169 55.6794 34.3848 175.1963 69 N 4.4694 8.8600 115.8330 52.9859 36.6739 174.9124 70 P 4.5788 0.0000 0.0000 66.4911 31.0730 177.3799 71 R 3.9640 8.1507 117.6037 59.0406 30.1191 179.0606 72 S 4.1655 8.5497 115.0230 61.5338 62.8278 177.0597 73 V 3.6006 8.0794 121.0675 65.9111 31.4077 178.2620 74 G 3.0371 7.6724 106.7511 46.6620 0.0000 175.5173 75 K 3.7335 8.1360 122.1328 59.1434 32.3171 178.5095 76 A 3.9075 7.5378 120.9931 55.3825 17.9571 179.4337 77 N 4.2195 7.9736 114.6829 56.3439 38.7372 177.1672 78 E 2.0000 7.5455 120.6413 58.5941 29.2750 178.7537 79 Q 3.7472 7.8121 119.4514 59.0942 29.1847 177.9968 80 L 3.9796 7.9731 121.1587 57.8684 42.1031 178.7388 81 A 4.1556 8.5352 121.1229 54.9281 18.2792 179.4189 82 A 3.8429 7.6858 119.0980 55.2197 18.4714 179.9153 83 V 3.4185 7.3932 116.5535 66.2383 31.5619 178.1878 84 V 3.5538 7.7898 117.6141 66.1908 31.3106 177.8571 85 A 4.0013 8.1090 120.3238 54.9046 18.0180 179.2588 86 E 3.8772 8.1079 118.2812 59.6995 29.8715 179.2451 87 T 3.9315 7.9233 109.9086 64.8674 68.9197 176.5981 88 Q 4.0308 8.3412 121.0816 58.5332 28.4821 178.6528 89 K 3.9543 7.9505 119.7673 59.5656 32.3248 177.9299 90 N 4.7134 7.6264 112.9444 53.2422 38.2816 175.5853 91 G 3.8800 7.9192 108.5171 46.3433 0.0000 173.8228 92 T 4.5597 7.5591 109.2532 60.1042 71.5017 173.7113 93 I 4.6535 8.3201 122.9836 59.7229 39.3461 175.3383 94 S 4.9735 8.2517 122.2712 57.4409 65.1321 173.4312 95 V 4.6270 8.6104 122.6756 61.3105 34.2286 174.0232 96 V 4.6954 8.6698 128.8413 61.4744 33.6478 174.4865 97 L 4.8455 8.6377 128.4199 53.0685 43.1313 176.7236 98 G 4.0821 8.6747 112.4927 46.0730 0.0000 172.6267 99 G 4.5538 9.6591 105.5644 46.4757 0.0000 173.3982 100 D 5.1794 8.4070 122.9683 52.4703 41.2376 177.6872 *101 N 4.4821 9.2570 119.5773 57.1395 36.7788 175.4968 102 S 4.5387 8.7690 114.2293 62.1906 62.7806 175.7730 103 M 4.5588 8.0930 119.8433 56.4446 31.6466 177.6056 104 A 4.2995 8.3343 122.1603 54.1740 18.8887 179.9043 105 I 3.9045 7.9749 119.2759 64.4994 37.1786 178.7589 106 G 3.7452 9.2241 106.8969 47.8208 0.0000 175.4153 107 S 4.1884 7.8630 115.7966 61.4884 62.3692 176.5108 108 I 3.6688 8.0239 122.1714 64.3143 36.6069 178.4608 109 S 4.3047 8.0063 114.9220 61.9280 63.0736 176.3871 110 G 3.9633 8.5924 108.2649 48.6918 0.0000 174.5212 111 H 4.2100 8.5547 120.4804 58.9871 29.6623 177.2645 112 A 4.2619 8.2820 121.5272 54.8511 18.2175 179.4788 113 R 4.0322 7.8818 116.4418 59.4504 30.2237 178.8589 114 V 4.0104 7.7191 116.0928 64.0481 32.9333 175.3932 115 H 4.8831 8.4161 116.5799 52.5912 28.8880 172.0331 116 P 4.4522 0.0000 0.0000 64.4544 31.5499 177.6385 117 D 4.7976 7.8789 117.4181 52.7467 39.6834 176.1441 118 L 4.9583 7.7274 120.3847 55.9428 41.2765 175.9310 119 C 5.1022 8.5990 113.6289 56.4423 33.4512 172.5738 120 V 4.9047 9.1910 120.4417 61.3065 34.2872 174.3759 121 I 4.8202 8.6308 128.3946 59.5632 39.4689 174.5816 122 W 4.9080 9.2323 135.0000 55.9557 32.0045 175.0152 123 V 4.4938 7.5443 128.5917 61.8311 32.1911 174.1828 124 D 4.6426 8.4375 125.7761 53.8243 44.6661 175.6935 125 A 4.7197 8.4743 122.9332 53.0555 19.5209 177.2063 126 H 5.2188 8.5999 111.6005 54.0647 32.1268 173.9743 127 T 3.4380 8.3617 110.9186 62.1109 69.2291 174.4262 128 D 4.4983 8.0459 121.3319 56.0274 38.3849 173.9216 129 I 4.3210 7.8568 112.9168 60.5740 38.4755 174.5464 130 N 4.4072 7.8499 117.4046 52.7133 39.0952 175.2639 131 T 3.6184 8.1781 113.0172 59.6346 70.2350 174.0180 132 P 4.3934 0.0000 0.0000 64.5454 31.1376 178.7980 133 L 4.1857 7.5958 117.1373 57.9391 42.0200 178.8567 134 T 3.9297 7.5025 107.7772 63.9217 69.0468 175.0083 135 T 3.8088 7.1697 117.1912 64.3230 68.8978 173.7263 136 S 4.6189 8.5776 118.3708 58.1479 63.7686 173.2933 137 S 4.7194 7.4781 114.5252 56.7559 66.1313 174.1031 138 G 4.0103 8.7361 108.2811 47.7396 0.0000 173.3532 139 N 4.2747 7.9961 116.8022 53.0738 38.4192 175.4004 140 L 4.2988 8.7738 124.2264 57.1089 42.2488 178.9422 141 H 4.6669 8.8849 114.3608 57.9529 28.4894 176.3117 142 G 4.0000 7.9348 107.5368 45.1743 0.0000 174.5343 143 Q 4.7199 8.2918 117.1427 53.4655 30.7027 175.8567 144 P 4.3916 0.0000 0.0000 65.9654 31.5842 178.2358 145 V 3.4702 7.6229 116.4225 65.5929 30.1821 177.9772 146 A 3.8885 8.0343 120.9648 54.9510 17.9678 179.0913 147 F 4.2199 7.9350 114.1065 59.0378 39.4548 176.1474 148 L 4.5899 7.7686 117.4489 54.6572 43.5238 176.1595 149 L 4.7674 7.3064 120.6391 53.7658 42.4697 177.5497 150 K 3.8728 8.8645 124.1974 59.8191 32.0653 179.0970 151 E 3.9851 8.2023 115.3220 58.2030 29.7271 177.2879 152 L 4.5853 7.7585 119.8396 54.1632 42.6049 175.3027 153 K 3.9665 8.1977 120.0655 57.7805 32.3637 177.1855 154 G 3.7241 8.3992 113.9235 45.7467 0.0000 173.9548 155 K 4.3212 7.6105 117.7322 56.1008 32.1939 176.4214 156 F 4.8972 6.9073 112.2898 54.6355 40.6245 172.3433 157 P 4.3650 0.0000 0.0000 62.8516 31.5638 175.7779 158 D 4.2892 8.5019 120.3627 54.3744 41.4744 176.0237 159 V 3.3787 8.1143 123.9404 60.0621 32.9475 173.2266 160 P 4.4303 0.0000 0.0000 64.4109 31.7551 176.6849 161 G 3.9639 9.3352 111.5130 45.2828 0.0000 174.1709 162 F 4.1422 8.0635 117.7778 56.9064 39.5349 177.6061 163 S 4.1796 8.2502 118.5555 60.9535 62.8829 175.6211 164 W 4.3195 7.9451 116.8862 58.3690 28.3355 176.7077 165 V 3.1499 6.3074 119.5618 62.8414 31.1688 175.1739 166 T 4.4047 8.1924 123.0143 60.8376 70.4156 171.6933 167 P 4.2817 0.0000 0.0000 63.4288 31.4386 175.8250 168 C 4.5471 8.7462 118.0858 57.9884 31.3705 173.8560 169 I 4.4771 7.5241 113.6907 58.7348 39.5417 175.3944 170 S 4.8121 8.7542 117.8337 56.6053 64.6005 174.9391 171 A 4.0299 8.8037 123.4818 54.7218 17.9868 178.6532 172 K 4.4473 7.6172 113.2152 56.9863 32.4169 176.7758 173 D 4.9189 8.3058 118.5409 53.8440 42.5077 175.3121 174 I 4.9774 7.7795 118.9686 59.0227 40.6737 174.5886 175 V 4.7446 8.7019 128.0876 61.4445 34.7637 173.6170 176 Y 5.4877 8.8479 125.0406 56.8452 40.5683 174.8159 177 I 4.9997 9.2122 123.2509 60.8615 41.5996 176.1661 178 G 4.1801 9.3220 114.9138 45.2247 0.0000 172.9642 179 L 4.3674 7.8923 120.2320 54.9910 41.9842 178.2878 180 R 4.4907 8.5381 116.0924 57.3118 32.5169 175.5576 181 D 4.6537 7.6116 116.7024 53.5002 41.8547 174.0663 182 V 4.1971 7.2322 119.9173 61.2287 33.8463 175.6544 183 D 4.6749 8.7559 126.6536 53.0326 42.8900 175.9522 184 P 4.4059 0.0000 0.0000 65.7863 31.3075 179.3697 185 G 3.5930 7.9808 103.8690 47.8760 0.0000 175.3626 186 E 3.8891 8.1014 121.1827 59.3773 29.6700 178.8749 187 H 3.9720 8.7200 118.4572 59.1566 29.7464 176.7126 188 Y 4.1380 8.1722 121.5828 60.6906 38.6134 177.9305 189 I 3.3831 8.1109 121.2645 64.3970 37.3419 178.5906 190 I 3.7048 7.8340 113.9783 63.7417 37.4350 178.4685 191 K 3.9461 7.7065 119.9534 59.4447 31.6781 179.4100 192 T 3.7488 7.5900 115.1129 66.7460 68.3503 175.9321 193 L 4.0309 7.9527 119.2372 55.3200 41.6723 177.3911 194 G 3.8334 7.4697 105.8734 46.5232 0.0000 174.0575 195 I 4.0590 7.5151 120.0777 60.6093 38.1705 176.1863 196 K 4.0169 8.6335 128.0852 56.0469 33.2111 175.0176 197 Y 5.2223 7.1109 123.7006 56.0425 41.6097 174.6750 198 F 4.7752 9.4577 118.5600 55.8075 42.1668 175.2641 199 S 5.0250 9.5086 119.8577 57.1647 64.5208 175.3111 200 M 4.0432 9.1131 120.0772 59.2082 31.4345 179.1210 201 T 3.8882 7.6117 112.6274 65.0506 67.4191 176.1338 202 E 4.1209 8.1461 120.2784 58.9996 29.6152 179.0240 203 V 3.5984 8.0388 118.4839 66.1245 31.3577 177.8195 204 D 4.3381 8.2318 117.9486 57.0966 40.6985 178.5544 205 K 4.0769 7.7732 119.1070 59.5342 32.4420 178.4402 206 L 4.2466 8.2110 117.7685 54.0564 42.5664 178.2865 207 G 3.9894 7.9045 104.6237 45.7600 0.0000 174.2221 208 I 3.6781 8.1604 120.5252 63.5343 37.9813 178.7358 209 G 3.4417 7.5891 106.2780 47.7209 0.0000 175.5768 210 K 4.0093 7.8575 122.1112 58.5579 32.2127 179.0236 211 V 2.9009 7.5586 118.8551 66.0299 31.4560 177.9514 212 M 3.6274 7.9111 118.4082 58.1691 31.4864 178.3054 213 E 4.0465 8.0340 119.1838 59.1690 29.7346 178.6313 214 E 4.0256 8.0399 119.5342 59.6124 29.8407 178.9636 215 T 4.1318 7.8153 109.8389 64.9163 68.6563 176.4419 216 F 4.7437 8.1594 120.9672 60.3315 39.0287 177.6606 217 S 4.3577 8.1486 113.7820 61.0927 62.8312 175.8468 218 Y 4.1806 8.0248 122.7177 60.7840 38.7245 177.6091 219 L 4.0861 8.3109 119.0098 57.0036 41.0008 178.6399 220 L 4.8634 8.2142 116.7186 54.2128 41.9940 178.5628 221 G 3.7947 7.8500 109.0355 48.7379 0.0000 175.6594 222 R 4.1122 7.9776 118.1925 58.2045 30.5196 177.0268 223 K 4.3430 6.9340 109.3932 55.6493 35.4014 175.1504 224 K 4.1863 8.5854 121.5055 56.8160 32.6881 176.3899 225 R 4.8074 7.9583 117.3077 54.0821 32.4457 172.8428 226 P 4.5701 0.0000 0.0000 63.3961 32.6831 174.8028 227 I 4.9170 8.6538 122.4252 59.9264 40.2793 174.0216 228 H 5.2404 9.2036 126.4087 54.4718 32.1652 172.6008 229 L 4.6546 9.0524 129.8553 54.0347 43.6306 175.3449 230 S 4.8092 8.8809 123.2506 56.8908 63.5557 172.3478 231 F 4.3281 8.7626 131.2648 56.5461 40.9944 173.8585 232 D 4.9927 8.2978 127.5671 52.5620 41.8732 177.1829 233 V 4.0590 8.4885 127.8440 65.9964 31.6153 176.8408 234 D 4.7928 8.6831 117.2232 53.8229 39.8639 177.4963 235 G 3.6494 8.7756 110.4584 47.5684 0.0000 173.8976 236 L 4.9445 7.3529 119.6520 52.9927 43.4271 176.0351 237 D 4.5967 9.3346 120.7975 53.8315 41.6389 175.8015 238 P 4.5036 0.0000 0.0000 64.9192 31.5320 177.9802 239 V 3.6309 7.5564 116.8157 63.4532 31.8385 177.2614 240 F 4.7273 8.4404 119.0173 58.9641 40.0766 176.5030 241 T 4.7555 7.6597 108.5072 59.3134 68.0111 171.7041 242 P 4.3151 0.0000 0.0000 66.1930 32.9431 178.2587 243 A 4.3830 8.1428 124.4135 51.4647 16.8046 175.3218 244 T 5.1673 7.2371 111.3970 59.0958 72.7981 175.1219 245 G 3.7900 8.6903 110.2783 47.8845 0.0000 174.3789 246 T 4.6468 7.5003 115.2627 60.8506 68.6497 171.3769 247 P 4.4933 0.0000 0.0000 62.3071 32.7331 177.3161 248 V 4.3038 8.0351 119.5812 61.0392 33.8078 175.4945 249 V 3.7561 8.3001 120.7487 62.7075 31.9681 175.7252 250 G 3.8103 9.2773 108.6609 46.3472 0.0000 173.9280 251 G 4.2178 8.0462 108.3003 44.5935 0.0000 174.3287 252 L 4.6929 8.2247 119.0632 54.8488 43.0944 177.2337 253 S 4.6315 8.9542 116.6758 57.1684 65.2697 174.4878 254 Y 3.6727 6.8785 120.6715 60.8831 38.1998 178.6270 255 R 3.9049 7.8293 118.1499 59.4330 30.0886 178.6891 256 E 4.0808 7.7662 116.8023 59.2795 29.7451 179.3786 257 G 3.7828 8.5750 106.0108 48.0588 0.0000 175.7669 258 L 4.0388 7.8352 123.6361 56.5123 41.5595 179.2003 259 Y 3.9378 8.2216 119.8484 60.4075 38.6770 177.7485 260 I 3.6966 7.8266 120.9801 64.6948 37.1910 178.4599 261 T 3.8601 7.8263 109.9534 65.0233 68.4246 176.0818 262 E 3.9144 8.2573 121.4096 59.0178 29.1772 179.1920 263 E 3.9631 7.8334 118.0646 59.1879 29.7669 179.1016 264 I 4.0344 7.8801 120.0340 64.4970 37.2354 177.6042 265 Y 3.9817 8.0442 120.3335 60.8877 38.4019 178.4903 266 K 3.8973 7.7950 117.7507 59.3943 32.1307 178.9533 267 T 3.8552 7.4781 109.6375 62.3176 68.7502 175.7721 268 G 3.7064 7.6275 107.9078 45.8920 0.0000 173.6401 269 L 4.5439 7.3636 117.5057 53.8650 43.2346 175.9053 270 L 4.1698 7.9560 122.2895 55.8619 41.6766 176.0608 271 S 4.7140 9.5823 121.6313 58.9052 65.4451 173.8179 272 G 4.4836 7.9105 104.7563 44.6882 0.0000 171.4786 273 L 5.2438 8.6350 122.6570 53.5279 46.2701 174.2467 274 D 5.4263 9.1015 124.2089 52.6779 45.2103 175.0777 275 I 4.7987 8.7347 122.6286 59.9971 39.4474 174.5310 276 M 4.8672 8.9266 126.6958 54.0863 35.3522 176.8385 277 E 3.8236 9.2058 117.7107 56.7868 27.7828 175.2666 278 V 3.6198 7.7295 118.8511 62.9654 31.0750 175.2503 279 N 4.7675 8.9151 128.6404 50.9520 38.1751 173.2110 280 P 4.3013 0.0000 0.0000 65.4275 31.5877 177.7424 281 T 4.2539 8.0152 105.2547 62.2048 69.1000 174.7859 282 L 4.5161 7.8012 121.4794 54.5577 42.0382 176.3379 283 G 3.9294 7.7670 108.6986 44.3792 0.0000 174.0170 284 K 4.0176 9.4368 125.7319 59.1358 32.4864 177.2173 285 T 4.7230 7.4408 107.4898 58.6856 71.7022 172.9159 286 P 4.2094 0.0000 0.0000 66.0283 31.2358 178.4548 287 E 3.9785 8.2217 117.4432 59.3678 29.4726 178.6334 288 E 4.0259 8.3415 118.7998 58.9873 29.3578 179.5031 289 V 3.5918 7.5699 118.0838 66.3315 31.6997 178.0644 290 T 3.8735 7.9854 115.5244 66.4612 68.2240 176.6601 291 R 3.8902 8.1387 120.5899 59.7147 30.2127 178.6422 292 T 3.8789 7.8437 115.4230 66.6732 68.4303 176.6481 293 V 3.6036 8.0615 120.2591 66.3096 31.5319 177.7338 294 N 4.3293 8.4167 116.2887 56.7104 38.2837 177.3388 295 T 4.1210 8.1668 114.2114 64.7328 67.4109 176.3759 296 A 3.8145 8.0787 123.0340 54.9704 18.4075 179.6957 297 V 3.4434 8.0176 116.7191 66.1815 31.6358 177.9159 298 A 3.9606 8.3291 120.8452 55.2442 18.2423 179.5897 299 L 3.6434 7.9585 117.5016 58.0414 41.3869 179.8225 300 T 3.7332 7.4289 114.3139 66.7663 68.8430 176.3040 301 L 4.1905 8.0276 120.7988 57.8462 41.4642 179.5583 302 S 4.2359 7.8219 114.3376 61.1168 62.0881 175.9469 303 C 3.8961 7.4646 117.6618 61.9689 27.9264 174.9827 304 F 5.1567 7.4921 118.3317 57.5285 40.0529 176.5269 305 G 3.0302 7.3259 108.8552 45.4076 0.0000 175.1809 306 T 3.9101 7.7569 116.8522 63.7262 68.3926 173.3624 307 K 4.5404 8.5933 125.8953 54.4524 34.6519 177.8075 308 R 4.0419 7.9788 120.5917 59.0189 30.1439 178.1521 309 E 4.0017 8.0423 113.9233 56.9092 29.9034 176.6154 310 G 3.9888 7.9096 105.2148 45.1735 0.0000 172.5157 311 N 5.1177 8.0670 114.8699 51.9216 42.6648 173.9308 312 H 4.9111 8.1339 114.2597 53.9170 31.3624 173.4438 313 K 4.1117 8.3697 121.4469 55.6448 32.4013 175.6833 314 P 4.5155 0.0000 0.0000 63.4795 32.0960 177.3854 315 E 3.9811 8.7501 116.2370 56.9150 27.9744 174.8097 316 T 4.3021 7.4208 114.9628 61.7159 69.8873 173.4967 317 D 4.7879 8.2715 125.0139 52.6520 42.6066 175.0714 318 Y 4.3089 8.5472 126.5918 57.3544 39.6233 176.3279 *319 L 4.1867 8.4077 121.0220 54.6951 41.7262 177.6167 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 6 K 8.31 4.39 0.00 1.78 1.99 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.59 7.81 7 P 0.00 4.66 0.00 2.16 2.01 0.00 3.56 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 2.11 2.20 0.00 8 I 8.98 4.85 1.58 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.17 0.42 0.00 0.00 9 E 9.18 4.98 0.00 1.93 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 2.18 2.40 0.00 10 I 8.55 4.55 2.04 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 1.17 0.80 0.94 0.00 0.00 11 I 8.92 4.72 1.87 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 1.04 0.74 0.87 0.00 0.00 12 G 9.09 4.66 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 0.00 0.00 0.00 13 A 8.70 5.44 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 14 P 0.00 4.98 0.00 2.22 2.25 0.00 4.01 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 2.24 2.06 0.00 15 F 8.24 5.09 0.00 2.68 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 16 S 7.26 5.20 0.00 3.84 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 17 K 6.08 3.99 0.00 1.38 1.78 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.75 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.59 1.27 7.81 18 G 8.05 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 19 Q 7.61 4.69 0.00 1.97 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.71 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 20 P 0.00 4.01 0.00 2.18 2.23 0.00 3.60 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 21 R 7.13 4.61 0.00 1.57 1.83 0.00 3.18 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 22 G 8.54 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.83 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 24 V 7.72 3.86 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 0.90 0.00 0.00 0.91 0.00 0.00 25 E 8.08 4.42 0.00 2.31 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 2.30 2.36 0.00 26 K 8.34 4.42 0.00 1.94 1.89 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.46 7.81 27 G 7.86 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.26 0.00 2.21 2.16 0.00 3.87 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 2.20 2.54 0.00 29 A 8.08 3.98 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 30 A 8.07 3.94 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 31 L 8.13 3.97 0.00 1.86 1.74 0.94 0.99 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 32 R 8.15 3.94 0.00 2.11 1.98 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 33 K 8.22 3.88 0.00 1.89 2.00 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 34 A 7.65 4.35 1.36 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 35 G 8.28 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 36 L 7.76 3.91 0.00 1.82 1.76 0.93 0.84 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 37 V 7.69 3.59 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 0.99 0.00 0.00 0.92 0.00 0.00 38 E 8.08 3.94 0.00 2.24 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 2.40 2.46 0.00 39 K 8.41 4.09 0.00 1.77 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.61 7.81 40 L 7.96 4.03 0.00 1.93 1.63 0.85 0.87 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 41 K 7.93 4.04 0.00 1.95 1.89 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.59 7.81 42 E 7.63 4.34 0.00 2.10 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 2.34 2.39 0.00 43 T 7.66 4.58 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 1.33 0.00 0.00 44 E 8.48 4.41 0.00 1.78 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 45 Y 7.56 4.81 0.00 2.80 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 46 N 8.77 4.78 0.00 2.67 2.74 0.00 0.00 6.46 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 47 V 8.56 4.71 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 0.70 0.00 0.00 0.82 0.00 0.00 *48 R 8.90 4.61 0.00 1.50 1.76 0.00 3.30 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.40 0.00 49 D 8.61 4.96 0.00 2.64 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 50 H 8.95 4.06 0.00 3.46 3.47 0.00 5.79 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 51 G 8.70 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.19 5.21 0.00 2.61 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 53 L 8.58 4.17 0.00 0.77 0.65 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.02 4.46 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.76 4.70 0.00 3.17 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 *56 V 8.36 3.86 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 57 D 8.67 4.56 0.00 2.71 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.74 3.78 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 0.87 0.00 0.00 0.95 0.00 0.00 59 P 0.00 4.30 0.00 2.24 2.06 0.00 4.00 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 60 N 8.52 4.08 0.00 2.85 2.88 0.00 0.00 6.93 8.47 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 61 D 7.49 4.73 0.00 2.93 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 62 S 7.81 4.33 0.00 3.97 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 63 P 0.00 4.44 0.00 2.08 2.06 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 64 F 8.24 4.64 0.00 2.99 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 65 Q 8.30 4.23 0.00 1.93 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.88 0.00 0.00 0.00 0.00 0.00 1.82 1.21 0.00 66 I 8.98 3.90 1.87 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 1.31 1.24 0.93 0.00 0.00 67 V 7.82 4.33 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 1.41 0.00 0.00 1.08 0.00 0.00 68 K 8.50 4.81 0.00 1.82 1.74 0.00 1.97 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.52 7.81 69 N 8.86 4.47 0.00 2.92 2.93 0.00 0.00 6.66 8.03 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 70 P 0.00 4.58 0.00 2.59 2.51 0.00 3.95 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 2.32 2.26 0.00 71 R 8.15 3.96 0.00 2.16 2.04 0.00 3.29 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 72 S 8.55 4.17 0.00 4.06 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 73 V 8.08 3.60 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 1.27 0.00 0.00 1.35 0.00 0.00 74 G 7.67 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 0.00 0.00 0.00 75 K 8.14 3.73 0.00 1.99 1.73 0.00 1.46 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.42 7.81 76 A 7.54 3.91 0.02 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 0.00 0.00 77 N 7.97 4.22 0.00 3.08 3.31 0.00 0.00 6.67 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 78 E 7.55 2.00 0.00 1.16 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 1.69 1.47 0.00 79 Q 7.81 3.75 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 80 L 7.97 3.98 0.00 1.94 1.80 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.54 4.16 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 82 A 7.69 3.84 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 83 V 7.39 3.42 2.12 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 0.78 0.00 0.00 0.88 0.00 0.00 84 V 7.79 3.55 2.23 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 1.16 0.00 0.00 1.04 0.00 0.00 85 A 8.11 4.00 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 86 E 8.11 3.88 0.00 2.27 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 87 T 7.92 3.93 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 1.29 0.00 0.00 88 Q 8.34 4.03 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.83 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 89 K 7.95 3.95 0.00 1.99 2.01 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.48 7.81 90 N 7.63 4.71 0.00 2.84 2.84 0.00 0.00 7.11 8.10 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 91 G 7.92 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 0.00 0.00 0.00 92 T 7.56 4.56 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 1.22 0.00 0.00 93 I 8.32 4.65 1.94 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.67 1.08 0.00 0.00 94 S 8.25 4.97 0.00 3.97 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 95 V 8.61 4.63 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 1.08 0.00 0.00 1.00 0.00 0.00 96 V 8.67 4.70 2.38 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 0.97 0.00 0.00 1.01 0.00 0.00 97 L 8.64 4.85 0.00 1.69 1.62 0.94 0.77 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 98 G 8.67 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 99 G 9.66 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 0.00 100 D 8.41 5.18 0.00 3.11 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 *101 N 9.26 4.48 0.00 2.75 2.88 0.00 0.00 7.23 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 0.00 102 S 8.77 4.54 0.00 4.21 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 0.00 103 M 8.09 4.56 0.00 2.11 2.34 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 2.70 2.86 0.00 104 A 8.33 4.30 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.97 3.90 2.27 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 1.56 1.46 0.98 0.00 0.00 106 G 9.22 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 0.00 0.00 0.00 107 S 7.86 4.19 0.00 4.07 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 0.00 108 I 8.02 3.67 2.05 0.00 0.00 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 1.25 0.56 0.94 0.00 0.00 109 S 8.01 4.30 0.00 4.36 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 0.00 110 G 8.59 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 0.00 111 H 8.55 4.21 0.00 3.42 3.54 0.00 5.61 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 0.00 112 A 8.28 4.26 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 0.00 113 R 7.88 4.03 0.00 2.00 2.04 0.00 3.20 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 114 V 7.72 4.01 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 0.74 0.00 0.00 1.00 0.00 0.00 115 H 8.42 4.88 0.00 3.37 3.18 0.00 5.87 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.45 0.00 2.18 2.20 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 117 D 7.88 4.80 0.00 2.79 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.73 4.96 0.00 1.70 1.67 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 119 C 8.60 5.10 0.00 3.15 3.05 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 0.00 120 V 9.19 4.90 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 1.24 0.00 0.00 1.00 0.00 0.00 121 I 8.63 4.82 1.96 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.91 0.95 0.00 0.00 122 W 9.23 4.91 0.00 3.22 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 0.00 123 V 7.54 4.49 0.75 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 0.18 0.00 0.00 0.69 0.00 0.00 124 D 8.44 4.64 0.00 2.58 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 0.00 125 A 8.47 4.72 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 0.00 126 H 8.60 5.22 0.00 3.28 3.21 0.00 5.85 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 0.00 127 T 8.36 3.44 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 128 D 8.05 4.50 0.00 3.12 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 0.00 129 I 7.86 4.32 1.78 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 1.19 0.78 0.79 0.00 0.00 130 N 7.85 4.41 0.00 2.85 2.63 0.00 0.00 6.76 7.23 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 0.00 131 T 8.18 3.62 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 132 P 0.00 4.39 0.00 2.10 2.27 0.00 2.57 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 1.84 1.93 0.00 133 L 7.60 4.19 0.00 1.61 1.72 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 134 T 7.50 3.93 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 1.20 0.00 0.00 135 T 7.17 3.81 4.42 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 1.21 0.00 0.00 136 S 8.58 4.62 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 0.00 137 S 7.48 4.72 0.00 3.95 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.74 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 0.00 139 N 8.00 4.27 0.00 2.87 3.05 0.00 0.00 7.19 6.74 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 0.00 140 L 8.77 4.30 0.00 1.83 1.80 1.16 0.97 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 0.00 141 H 8.88 4.67 0.00 3.29 3.60 0.00 5.56 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 0.00 142 G 7.93 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 0.00 143 Q 8.29 4.72 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.54 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 144 P 0.00 4.39 0.00 2.38 2.38 0.00 3.88 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 145 V 7.62 3.47 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 0.80 0.00 0.00 0.03 0.00 0.00 146 A 8.03 3.89 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 0.00 147 F 7.93 4.22 0.00 3.06 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 0.00 148 L 7.77 4.59 0.00 1.73 1.70 1.01 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.31 4.77 0.00 1.87 1.57 0.88 0.68 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 K 8.86 3.87 0.00 1.82 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.42 7.81 151 E 8.20 3.99 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 152 L 7.76 4.59 0.00 1.73 1.68 0.90 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 153 K 8.20 3.97 0.00 1.72 1.72 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.33 7.81 154 G 8.40 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 0.00 0.00 0.00 155 K 7.61 4.32 0.00 1.94 1.90 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.53 7.81 156 F 6.91 4.90 0.00 3.19 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 0.00 157 P 0.00 4.37 0.00 2.61 2.29 0.00 4.00 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.22 0.00 158 D 8.50 4.29 0.00 2.66 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 0.00 159 V 8.11 3.38 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 0.95 0.00 0.00 0.96 0.00 0.00 160 P 0.00 4.43 0.00 2.13 2.04 0.00 3.25 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 161 G 9.34 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 0.00 162 F 8.06 4.14 0.00 3.25 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 0.00 163 S 8.25 4.18 0.00 4.04 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 0.00 164 W 7.95 4.32 0.00 3.59 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 0.00 165 V 6.31 3.15 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 0.72 0.00 0.00 -0.46 0.00 0.00 166 T 8.19 4.40 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 1.23 0.00 0.00 167 P 0.00 4.28 0.00 2.02 2.17 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 168 C 8.75 4.55 0.00 3.09 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 I 7.52 4.48 1.86 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 1.35 0.82 0.92 0.00 0.00 170 S 8.75 4.81 0.00 4.24 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 0.00 171 A 8.80 4.03 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 0.00 172 K 7.62 4.45 0.00 1.71 1.75 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.43 7.81 173 D 8.31 4.92 0.00 2.57 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 0.00 174 I 7.78 4.98 1.76 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.68 0.78 0.00 0.00 175 V 8.70 4.74 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 1.23 0.00 0.00 1.13 0.00 0.00 176 Y 8.85 5.49 0.00 3.10 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 0.00 177 I 9.21 5.00 1.91 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 1.35 0.88 0.93 0.00 0.00 178 G 9.32 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 L 7.89 4.37 0.00 1.69 1.48 0.56 0.55 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 0.00 180 R 8.54 4.49 0.00 1.87 1.94 0.00 3.25 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 181 D 7.61 4.65 0.00 2.52 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 0.00 0.00 0.00 0.00 182 V 7.23 4.20 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.73 0.00 0.00 183 D 8.76 4.67 0.00 2.82 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 P 0.00 4.41 0.00 2.13 2.09 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 185 G 7.98 3.59 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 0.00 0.00 0.00 186 E 8.10 3.89 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 187 H 8.72 3.97 0.00 3.13 3.43 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 Y 8.17 4.14 0.00 3.15 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 I 8.11 3.38 1.91 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 1.49 0.72 0.81 0.00 0.00 190 I 7.83 3.70 1.81 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.38 0.82 0.00 0.00 191 K 7.71 3.95 0.00 1.92 1.81 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.17 1.36 7.81 192 T 7.59 3.75 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 1.00 0.00 0.00 193 L 7.95 4.03 0.00 1.64 1.68 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 194 G 7.47 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 0.00 195 I 7.52 4.06 1.97 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 1.15 0.60 1.11 0.00 0.00 196 K 8.63 4.02 0.00 1.04 1.21 0.00 0.61 0.00 0.00 1.28 0.00 0.00 2.13 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.92 0.81 7.81 197 Y 7.11 5.22 0.00 2.96 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 0.00 198 F 9.46 4.78 0.00 2.96 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 0.00 199 S 9.51 5.02 0.00 4.24 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 0.00 200 M 9.11 4.04 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.90 0.00 201 T 7.61 3.89 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 0.00 202 E 8.15 4.12 0.00 2.44 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 0.00 2.40 2.47 0.00 203 V 8.04 3.60 2.23 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 1.12 0.00 0.00 1.01 0.00 0.00 204 D 8.23 4.34 0.00 2.89 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 0.00 205 K 7.77 4.08 0.00 1.85 1.98 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 206 L 8.21 4.25 0.00 1.59 1.66 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 207 G 7.90 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 0.00 208 I 8.16 3.68 1.77 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 1.65 1.28 0.50 0.00 0.00 209 G 7.59 3.44 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 0.00 210 K 7.86 4.01 0.00 1.84 1.90 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.52 7.81 211 V 7.56 2.90 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 0.31 0.00 0.00 0.74 0.00 0.00 212 M 7.91 3.63 0.00 1.83 2.18 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.88 0.00 213 E 8.03 4.05 0.00 2.28 2.12 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 2.36 2.40 0.00 214 E 8.04 4.03 0.00 2.31 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 2.75 2.55 0.00 215 T 7.82 4.13 4.35 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 1.04 0.00 0.00 216 F 8.16 4.74 0.00 3.13 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 0.00 217 S 8.15 4.36 0.00 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 0.00 218 Y 8.02 4.18 0.00 2.97 3.29 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 0.00 219 L 8.31 4.09 0.00 1.93 1.80 1.08 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 220 L 8.21 4.86 0.00 1.76 1.64 0.75 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 221 G 7.85 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 0.00 0.00 0.00 222 R 7.98 4.11 0.00 1.77 1.97 0.00 3.39 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 223 K 6.93 4.34 0.00 1.76 1.70 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.24 1.30 7.81 224 K 8.59 4.19 0.00 1.74 1.75 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.33 7.81 225 R 7.96 4.81 0.00 1.87 1.84 0.00 3.37 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 226 P 0.00 4.57 0.00 2.12 2.13 0.00 3.65 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 2.05 1.92 0.00 227 I 8.65 4.92 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.80 1.02 0.00 0.00 228 H 9.20 5.24 0.00 3.35 3.26 0.00 5.76 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 L 9.05 4.65 0.00 1.80 1.54 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 230 S 8.88 4.81 0.00 4.08 3.50 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 0.00 231 F 8.76 4.33 0.00 3.13 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 0.00 232 D 8.30 4.99 0.00 2.56 2.53 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 0.00 233 V 8.49 4.06 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.98 0.00 0.00 234 D 8.68 4.79 0.00 2.88 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 0.00 235 G 8.78 3.65 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 0.00 0.00 0.00 236 L 7.35 4.94 0.00 1.81 1.81 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 237 D 9.33 4.60 0.00 2.95 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 0.00 238 P 0.00 4.50 0.00 2.07 2.13 0.00 3.75 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 2.12 2.13 0.00 239 V 7.56 3.63 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 -0.66 0.00 0.00 0.71 0.00 0.00 240 F 8.44 4.73 0.00 3.25 3.25 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 0.00 241 T 7.66 4.76 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 1.34 0.00 0.00 242 P 0.00 4.32 0.00 2.21 2.40 0.00 3.90 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.96 0.00 243 A 8.14 4.38 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 0.00 244 T 7.24 5.17 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 245 G 8.69 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 0.00 0.00 0.00 246 T 7.50 4.65 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 247 P 0.00 4.49 0.00 2.20 2.08 0.00 3.81 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 2.01 1.97 0.00 248 V 8.04 4.30 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 0.86 0.00 0.00 1.05 0.00 0.00 249 V 8.30 3.76 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 0.74 0.00 0.00 0.94 0.00 0.00 250 G 9.28 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 0.00 251 G 8.05 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 0.00 0.00 0.00 0.00 252 L 8.22 4.69 0.00 1.79 1.63 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 253 S 8.95 4.63 0.00 3.80 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 0.00 254 Y 6.88 3.67 0.00 2.07 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 255 R 7.83 3.90 0.00 1.89 1.97 0.00 3.23 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 256 E 7.77 4.08 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 2.30 2.30 0.00 257 G 8.57 3.78 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 0.00 0.00 0.00 258 L 7.84 4.04 0.00 1.67 1.61 0.56 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 259 Y 8.22 3.94 0.00 3.17 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 260 I 7.83 3.70 2.19 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.65 0.97 0.00 0.00 261 T 7.83 3.86 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 1.14 0.00 0.00 262 E 8.26 3.91 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 263 E 7.83 3.96 0.00 2.09 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 1.47 2.15 0.00 264 I 7.88 4.03 2.04 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 1.64 0.90 0.92 0.00 0.00 265 Y 8.04 3.98 0.00 3.11 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 0.00 266 K 7.80 3.90 0.00 1.87 1.84 0.00 1.78 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.73 7.81 267 T 7.48 3.86 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 0.39 0.00 0.00 268 G 7.63 3.71 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 0.00 0.00 0.00 269 L 7.36 4.54 0.00 1.52 1.64 0.81 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 270 L 7.96 4.17 0.00 1.59 1.59 0.95 0.50 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 0.00 271 S 9.58 4.71 0.00 4.07 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 0.00 272 G 7.91 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 273 L 8.64 5.24 0.00 1.69 1.49 0.98 1.06 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 0.00 274 D 9.10 5.43 0.00 2.59 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 275 I 8.73 4.80 1.88 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.32 0.89 0.00 0.00 276 M 8.93 4.87 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 277 E 9.21 3.82 0.00 2.28 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 0.00 2.27 2.76 0.00 278 V 7.73 3.62 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 0.78 0.00 0.00 0.96 0.00 0.00 279 N 8.92 4.77 0.00 2.74 2.81 0.00 0.00 6.87 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 0.00 280 P 0.00 4.30 0.00 2.09 2.13 0.00 3.93 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 2.13 2.11 0.00 281 T 8.02 4.25 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 1.22 0.00 0.00 282 L 7.80 4.52 0.00 1.69 1.73 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 283 G 7.77 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 0.00 284 K 9.44 4.02 0.00 1.70 1.89 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.77 1.53 7.81 285 T 7.44 4.72 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 0.00 286 P 0.00 4.21 0.00 2.18 2.16 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 287 E 8.22 3.98 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 288 E 8.34 4.03 0.00 2.22 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 2.32 2.31 0.00 289 V 7.57 3.59 2.25 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 1.18 0.00 0.00 0.98 0.00 0.00 290 T 7.99 3.87 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 1.22 0.00 0.00 291 R 8.14 3.89 0.00 2.09 2.11 0.00 3.25 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.70 0.00 292 T 7.84 3.88 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 1.27 0.00 0.00 293 V 8.06 3.60 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.03 0.00 0.00 294 N 8.42 4.33 0.00 2.93 2.91 0.00 0.00 6.74 7.80 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 0.00 295 T 8.17 4.12 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 296 A 8.08 3.81 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 0.00 297 V 8.02 3.44 2.23 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 1.00 0.00 0.00 1.00 0.00 0.00 298 A 8.33 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 0.00 299 L 7.96 3.64 0.00 1.58 1.19 0.15 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 300 T 7.43 3.73 4.37 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 1.34 0.00 0.00 301 L 8.03 4.19 0.00 1.66 1.73 0.93 0.58 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 0.00 302 S 7.82 4.24 0.00 3.83 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 0.00 303 C 7.46 3.90 0.00 2.53 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 0.00 0.00 0.00 304 F 7.49 5.16 0.00 3.01 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 305 G 7.33 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 0.00 0.00 0.00 306 T 7.76 3.91 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 1.17 0.00 0.00 307 K 8.59 4.54 0.00 2.02 1.64 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.27 1.40 7.81 308 R 7.98 4.04 0.00 1.81 2.00 0.00 3.21 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 309 E 8.04 4.00 0.00 2.08 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 2.27 2.30 0.00 310 G 7.91 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 0.00 311 N 8.07 5.12 0.00 2.65 2.64 0.00 0.00 6.70 8.16 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 0.00 312 H 8.13 4.91 0.00 3.12 3.08 0.00 5.53 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 313 K 8.37 4.11 0.00 1.92 1.86 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.46 7.81 314 P 0.00 4.52 0.00 2.23 2.19 0.00 3.79 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 2.07 1.98 0.00 315 E 8.75 3.98 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 316 T 7.42 4.30 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 0.63 0.00 0.00 317 D 8.27 4.79 0.00 2.56 2.49 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 0.00 318 Y 8.55 4.31 0.00 2.95 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 *319 L 8.41 4.19 0.00 1.45 1.51 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.