NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.1368 8.4449 120.2176 57.2688 30.4558 177.9498 2 S 4.0889 7.6652 125.1881 53.9487 61.3000 171.0246 3 Q 4.6690 9.8320 124.8889 53.5042 31.6917 173.3564 4 P 4.5540 0.0000 0.0000 62.8543 32.3154 175.2283 5 D 4.1003 8.2889 119.8710 52.2822 41.9506 175.0541 6 P 3.6652 0.0000 0.0000 63.0811 31.5387 176.6722 7 T 4.1236 8.5206 119.7078 62.0312 68.4593 172.6516 8 P 4.0482 0.0000 0.0000 66.4521 31.4322 176.1175 9 D 4.6840 7.6466 129.2514 52.7315 39.8502 174.3915 10 E 4.9835 8.1407 131.6138 56.6824 32.5646 177.3825 11 L 4.4125 7.4689 116.7553 54.9360 42.5611 176.5273 12 H 4.6823 9.1978 119.1762 55.4592 29.5941 174.7899 13 K 4.7385 8.5314 123.0410 54.3487 33.8030 177.4399 14 S 4.2371 8.9749 120.0194 61.2372 62.9329 176.1883 15 S 4.4458 8.3143 113.6922 59.4529 62.9933 174.2782 16 E 4.5036 8.6038 120.8607 56.2567 30.6198 175.0905 17 F 5.3395 7.8446 121.7757 56.9272 40.7918 175.3298 18 T 4.4447 7.7194 117.8292 60.9811 69.3338 174.9102 19 G 4.0001 5.3800 105.2881 44.8229 0.0000 171.8583 20 T 3.1519 7.5214 119.2903 63.3526 65.6961 173.0181 21 M 4.0702 8.4357 125.8820 57.2606 32.1836 177.7899 22 G 3.1562 7.2967 105.6690 48.0817 0.0000 175.2651 23 N 3.5472 7.3158 117.5205 55.5373 38.7373 176.6848 24 M 3.7047 7.0467 119.2956 57.5786 32.3866 177.6784 25 K 3.8376 7.7806 120.2165 59.9227 32.1246 178.0529 26 Y 4.5204 7.6233 115.8630 61.5519 37.8487 178.7314 27 L 3.9123 7.6882 118.2586 56.7492 42.0605 177.3543 28 Y 4.8227 8.1063 114.5709 57.7098 39.9689 174.6866 29 D 4.4982 8.4938 119.5965 54.3847 41.6326 176.0271 30 D 4.4902 8.8224 129.2684 55.3509 39.4220 173.9734 31 H 4.7464 7.8724 119.2419 55.3766 32.5814 171.0462 32 Y 4.6062 7.3077 123.2597 56.8005 40.3220 172.7730 33 V 4.3096 8.3223 119.7697 61.0584 34.2946 174.3012 34 S 5.1151 8.5110 120.8167 56.6748 65.2310 172.5963 35 A 4.7420 8.9191 128.5366 50.8426 21.5199 176.6533 36 T 4.1226 8.7968 118.4305 65.7214 69.8623 176.1887 37 K 4.8403 7.5862 117.6139 55.1125 32.3915 175.7076 38 V 4.5448 8.7096 122.5068 61.4247 34.6566 174.6990 39 M 5.5498 8.6875 124.5256 52.1614 35.4266 175.3432 40 S 3.3567 8.3336 119.1247 58.4910 63.4818 175.3156 41 V 3.7729 8.1112 124.1398 63.1082 32.5062 174.7549 42 D 4.5135 7.3607 117.5410 54.0833 43.7738 173.2969 43 K 4.8616 8.2062 117.5494 55.5508 35.6659 175.4335 44 F 4.6440 9.4080 127.0791 59.4712 40.0293 176.0183 45 L 4.2900 8.4674 118.9257 52.1560 43.9916 177.4656 46 A 3.9090 8.4376 122.7669 55.5674 18.3036 178.2196 47 H 4.8226 7.8757 109.2994 55.3469 28.9206 173.6877 48 D 5.4925 7.6132 118.8736 51.9565 42.6717 174.8236 49 L 4.9904 8.7719 117.9044 53.0647 46.1984 175.6058 50 I 4.9335 8.7836 123.2307 59.8702 39.8176 174.2866 51 Y 4.7451 9.1636 124.5672 56.1273 41.0847 175.3359 52 N 5.4107 8.6767 121.0185 52.1632 36.9512 172.9608 53 I 4.4385 7.6885 119.6325 59.5021 38.9847 175.8946 54 S 4.5905 8.6924 122.1495 57.5858 63.4726 173.8482 55 D 4.0397 8.2675 123.9581 52.3466 39.5045 176.6344 56 K 3.9377 8.4280 126.2635 59.2517 34.1836 178.3478 57 K 4.0003 8.0096 116.7808 57.3564 29.7979 177.7035 58 L 4.4794 8.9711 122.4910 57.0981 41.9861 177.0518 59 K 3.5770 7.1577 113.7438 58.6815 30.2638 175.6049 60 N 4.5096 8.1871 115.5742 54.9629 39.7307 175.0016 61 Y 5.0606 6.6896 115.0675 56.1113 40.9563 174.6600 62 D 5.2392 9.1686 118.5731 53.7936 43.3529 175.8932 63 K 4.8765 8.1647 118.3551 54.4801 36.3672 175.0873 64 V 4.5997 8.7805 124.5848 60.9079 34.3147 173.8252 65 K 4.7315 8.4099 129.7072 54.9423 34.0098 174.6287 66 T 4.7338 8.7057 122.1836 60.2617 70.2073 172.3186 67 E 5.1133 8.6596 128.0549 55.1568 31.8817 175.1618 68 L 5.2449 8.8692 122.8532 52.4892 45.0203 177.2760 69 L 3.8541 8.4928 123.2998 58.4625 42.2619 176.9219 70 N 4.4117 7.4013 113.8607 51.2392 41.4275 174.7691 71 E 4.0231 8.3674 119.8612 59.4144 29.4191 178.2102 72 D 4.3478 8.9956 119.6421 56.9905 40.3141 178.3225 73 L 4.0650 8.0858 120.3586 57.7541 42.2366 178.6719 74 A 4.1400 7.9076 120.5139 54.9365 18.1263 179.4268 75 K 3.8013 8.0987 116.3826 59.8521 32.2911 179.0366 76 K 3.8590 7.6123 117.9484 59.1186 32.3381 177.4934 77 Y 4.5219 7.5925 114.7746 57.6546 38.7217 175.8586 78 K 4.7589 7.3469 120.4305 57.2074 32.8118 176.2128 79 D 4.9297 8.9328 124.2284 53.9830 39.2166 174.6285 80 E 4.5896 7.8174 118.2742 55.0632 31.6028 175.8214 81 V 4.2409 8.3254 123.2108 62.9797 32.9119 175.2280 82 V 4.9851 9.1967 120.3782 59.9457 36.8153 173.7713 83 D 5.3394 9.2638 122.7939 52.8083 43.2990 175.7411 84 V 5.2867 8.6911 122.5819 60.6381 34.9040 174.1747 85 Y 5.3817 7.8114 128.2277 57.6440 40.9816 173.2441 86 G 4.1948 8.2816 113.9854 45.5793 0.0000 169.4948 87 S 5.2651 8.6526 114.6580 56.4060 64.2993 173.8646 88 N 5.7072 8.9078 123.7744 51.0415 40.0691 172.9922 89 Y 4.7017 7.2547 114.8049 56.5263 40.8949 174.9123 90 Y 4.0477 8.8927 118.4946 60.3060 39.4421 179.4773 91 V 2.8133 6.3607 110.9514 61.3654 34.4577 176.0638 92 N 4.8920 8.4269 119.3714 51.3686 38.6099 175.2066 93 C 4.7606 8.0737 118.2758 55.1687 45.7809 171.9234 94 Y 3.3511 7.5096 123.4764 53.6995 41.1535 176.5613 95 F 4.6710 7.5642 113.9979 55.3910 39.2318 176.5770 96 S 4.8511 7.5402 128.0650 59.0547 62.0764 178.3597 97 S 4.1856 8.9353 128.7459 60.6667 62.4321 175.5034 98 K 4.0986 8.4195 119.3514 56.0329 31.2582 175.4783 99 D 4.6773 7.2045 116.6596 52.8783 40.7882 169.8110 100 N 3.9048 8.2948 126.1723 52.0209 38.6440 174.7368 *105 T 4.0491 8.0726 117.0789 63.8565 69.7582 174.0184 106 G 3.9573 7.2959 112.8483 44.4377 0.0000 172.4692 107 G 3.6622 7.2824 116.9425 45.2246 0.0000 171.9258 108 K 4.8227 7.6556 118.6024 55.3182 35.2137 175.6790 109 T 4.4533 8.9218 121.7966 60.2662 71.3536 171.6099 110 C 5.1664 7.5823 120.4103 55.5881 45.7248 173.1349 111 M 4.9870 8.1615 119.1097 54.8598 37.0075 173.1261 112 Y 4.8986 8.0824 116.2652 57.1402 41.1993 176.8510 113 G 3.5100 10.1226 114.3405 48.2796 0.0000 174.2536 114 G 3.8100 8.8102 108.4681 46.4160 0.0000 171.7975 115 I 4.7765 7.3316 118.9993 59.4450 39.6749 175.6854 116 T 4.6953 8.2555 121.1134 61.8675 73.1777 173.5958 117 K 4.5854 8.7892 125.4007 56.9037 32.2824 176.8951 118 H 4.2528 8.9235 123.7340 58.6345 30.2000 175.0471 119 E 4.0516 8.1657 120.5674 57.2045 29.4516 176.2404 120 G 3.8339 8.8648 113.8878 46.2265 0.0000 172.7607 121 N 4.5881 7.6873 115.9368 53.0880 39.3529 173.7430 122 H 5.3169 7.5213 112.2632 53.6400 31.6642 173.6497 123 F 4.6624 8.4713 119.7147 56.4331 40.0509 176.9863 124 D 4.4573 8.8796 122.3839 55.5856 39.4622 176.4815 125 N 4.8309 7.6403 114.0061 53.0942 41.9647 175.1781 126 G 3.7039 8.1107 109.7389 45.8928 0.0000 176.5196 127 N 4.6461 8.4658 127.0523 52.0173 37.8583 174.4497 128 L 3.9729 7.2763 123.1581 53.7329 43.1401 176.5268 129 Q 3.2036 8.4266 118.9993 57.6537 27.6215 174.4984 130 N 3.9049 7.8827 114.3986 49.6790 34.8890 172.5483 131 V 3.3130 7.6856 124.4412 62.1085 32.6013 173.7664 132 L 4.6286 8.5083 129.8225 53.9727 44.2226 174.8333 133 I 4.5323 8.3128 126.8387 59.4708 39.9260 174.6494 134 R 4.3860 9.0388 127.5356 54.8966 31.5929 175.6250 135 V 4.5450 8.0468 124.5970 61.2916 34.0209 173.9204 136 Y 4.8447 8.7882 125.4092 56.2582 40.5859 174.1531 137 E 4.5685 9.4121 126.6839 54.2619 31.4368 175.7363 138 N 4.1055 9.0017 127.1636 54.3728 36.8078 174.0752 139 K 4.5191 8.3808 120.5033 56.6580 32.6225 176.7715 140 R 4.0522 7.4945 116.8438 56.0269 30.4715 175.6053 141 N 4.5055 8.5302 120.5737 52.6240 38.1897 174.2599 142 T 4.2693 7.9200 116.4361 62.9074 70.2446 175.3559 143 I 4.8045 7.0559 120.2344 59.7446 42.0732 174.5821 144 S 5.1251 8.4344 119.4968 57.2412 66.8693 173.3643 145 F 4.8898 8.4223 118.0466 55.2219 41.8613 172.9409 146 E 4.9011 8.6556 118.5680 54.7821 31.1385 176.2017 147 V 4.5863 8.3472 118.2949 59.7683 33.9012 175.4706 148 Q 4.6365 8.5010 119.5337 54.6611 31.3056 174.4339 149 T 4.7011 8.1836 112.9285 60.6160 70.3976 173.0023 150 D 5.0701 8.6959 121.9820 52.6417 40.8408 175.5104 151 K 4.9014 7.8650 119.5120 55.0050 34.7685 176.3468 152 K 3.7445 8.5697 122.6352 58.0675 33.1524 175.9177 153 S 5.1272 8.4927 115.2200 55.6515 63.3109 173.7955 154 V 4.5625 8.0659 126.6501 59.6751 34.4591 175.6626 155 T 4.4413 8.2653 111.4258 61.1715 69.8923 175.4354 156 A 3.9115 9.1700 126.0967 55.3536 18.2801 179.8923 157 Q 3.7352 8.2282 117.6043 59.4326 28.9429 178.2906 158 E 3.7523 7.8869 119.9976 59.4159 29.6462 178.8987 159 L 4.1231 7.6199 118.0315 57.2715 41.5288 179.1126 160 D 4.4961 8.0954 118.1366 57.4116 41.2493 178.2921 161 I 4.1855 8.1021 120.3490 64.6596 37.3058 178.7094 162 K 4.1020 8.2496 119.1337 59.1955 31.8031 179.3050 163 A 4.3124 8.1504 121.1273 55.5765 18.4530 179.9384 164 R 3.9001 8.4600 116.7467 59.2651 29.8271 178.8364 165 N 4.6677 8.6678 118.6339 56.1315 38.9423 176.7749 166 F 3.8951 8.2122 121.4552 61.2799 39.5200 177.1044 167 L 3.9632 8.1792 118.6789 57.7596 41.3506 179.6216 168 I 3.7735 8.2569 120.0882 64.5243 36.8850 178.3124 169 N 4.2432 7.5470 115.5689 56.0268 38.5475 177.1365 170 K 4.1553 7.5449 117.4028 56.6926 32.6965 177.5542 171 K 4.4812 7.6827 115.8231 55.1179 33.1020 175.4390 172 N 4.8007 8.1831 114.2250 52.3625 36.3974 175.2673 173 L 4.1217 8.2241 119.9132 57.8921 42.1746 176.4193 174 Y 4.8810 7.5809 113.2130 56.1510 40.8569 174.7415 175 E 4.8539 8.4169 122.9912 54.4644 32.4453 175.6801 176 F 4.2765 8.7393 120.2064 61.4980 39.5259 176.7731 177 N 4.6515 7.7846 118.2586 54.8361 40.0844 175.4406 178 S 4.5942 8.6830 117.1805 57.3075 63.8020 173.1612 179 S 4.9078 8.4660 112.4774 55.6447 65.5980 172.6687 180 P 4.2311 0.0000 0.0000 64.5105 31.4083 175.0624 181 Y 4.8565 7.3976 116.9838 56.6827 39.7518 175.4326 182 E 4.5628 9.8041 125.3609 58.0171 30.6794 176.1723 183 T 5.2161 7.3074 108.3581 58.9503 72.6930 172.4716 184 G 4.8771 8.3013 105.2393 45.9575 0.0000 171.9771 185 Y 5.5628 7.6790 120.6588 55.4639 42.1256 173.1890 186 I 4.5771 8.9506 121.9663 59.3009 40.3583 173.8759 187 K 4.9246 9.1030 131.3790 54.7109 34.6880 174.4825 188 F 5.0407 8.6424 126.2768 55.8743 41.2969 174.8976 189 I 4.8952 8.7032 123.7246 59.6871 40.4142 175.2192 190 E 4.7504 9.4244 127.6664 54.7545 30.8090 177.0473 191 N 4.3701 8.8833 118.5912 56.1073 36.9363 175.5265 192 N 4.5188 8.1122 113.1375 52.9683 37.9991 175.6750 193 G 3.9725 8.4863 108.3808 44.7235 0.0000 173.3595 194 N 4.4980 8.3541 119.7275 54.2345 40.0391 173.4995 195 T 5.3444 8.4476 119.3978 60.5018 71.0982 172.3663 196 F 5.3839 8.4925 120.5974 55.7562 41.4007 172.8621 197 W 5.6505 8.3074 117.3829 55.0962 31.8079 173.6390 198 Y 5.0378 8.9431 117.3476 56.2725 41.3870 174.3662 199 D 5.3337 9.0048 122.9546 54.5935 41.6827 175.9708 200 M 4.7250 9.1945 125.0323 56.2533 32.9350 176.5579 201 M 4.5331 8.4567 118.1564 52.9334 33.7503 174.2762 202 P 4.3083 0.0000 0.0000 61.8853 32.2451 176.1611 203 A 3.8289 8.3186 122.7349 51.6261 18.9024 175.8847 204 P 4.5094 0.0000 0.0000 63.1941 32.2441 175.5107 205 G 3.7365 8.7662 106.6007 44.2402 0.0000 173.2001 206 D 4.0245 7.9255 119.1352 55.9018 41.6064 176.0787 207 K 4.4603 7.8161 120.3847 56.3684 33.3710 176.1456 208 F 4.9747 8.8300 123.2693 56.5703 41.3390 175.0118 209 D 4.4583 8.0259 127.0656 52.6428 41.7609 176.5847 210 Q 3.4206 7.9517 127.5398 58.8683 28.8845 179.0477 211 S 3.4305 7.3839 114.6449 60.9737 62.8604 176.2214 212 K 3.8423 7.6023 121.8901 58.8557 31.7352 177.9272 213 Y 3.9131 7.3936 119.6721 60.5623 38.8231 177.4591 214 L 4.0806 8.1823 119.9919 57.8038 41.7303 178.9438 215 M 2.5500 7.0835 117.9693 58.2657 31.5972 177.8545 216 M 3.7849 6.8208 115.6817 57.4993 31.3686 177.0927 217 Y 4.5072 7.6352 117.4821 58.5454 38.3988 176.6393 218 N 4.8053 8.2174 119.2935 55.1769 37.2545 176.3240 219 D 4.3439 8.0562 119.6871 54.0211 39.8169 175.4618 220 N 4.1018 7.9092 117.1488 54.0687 38.0911 173.7075 221 K 4.0578 8.2648 118.5261 56.7163 33.0255 175.7493 222 T 5.1021 8.4586 117.1323 60.3938 72.0697 173.1714 223 V 4.6108 8.6202 114.7081 60.3161 37.3057 173.1537 224 D 5.3835 8.5212 120.9345 52.9068 41.8644 177.2946 225 S 4.2833 8.9116 121.0008 61.2821 63.6773 176.9223 226 K 4.1349 8.4444 119.7433 58.4767 32.0204 177.4185 227 S 4.7695 7.3683 110.3261 57.9814 64.1571 175.4542 228 V 4.1312 7.9242 114.7967 61.4196 32.3074 175.6281 229 K 4.6497 9.0385 123.6052 54.6696 35.0828 175.2572 230 I 4.8233 7.8834 124.9915 59.4562 41.0252 174.2945 231 E 5.5021 8.7668 125.2600 53.6731 33.4192 174.9782 232 V 4.5279 8.2498 116.8844 59.8467 34.8452 174.4863 233 H 4.8382 8.9486 122.0997 54.2752 30.7189 173.5667 234 L 5.1834 8.5975 124.3270 52.8737 45.0788 175.4846 235 T 4.8767 8.1250 107.5638 61.2306 71.5720 173.5577 236 T 4.7259 8.6135 115.1070 61.0543 70.4990 174.1426 237 K 4.4040 8.0729 121.4628 55.9253 33.2204 176.9535 238 N 4.7585 8.6369 120.5927 52.8043 40.0816 175.7338 239 G 3.7257 8.1817 107.2252 46.3180 0.0000 173.1230 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 E 8.44 4.14 0.00 1.98 1.52 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 2.19 2.28 0.00 2 S 7.67 4.09 0.00 3.90 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 3 Q 9.83 4.67 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 4 P 0.00 4.55 0.00 2.03 2.10 0.00 4.04 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 5 D 8.29 4.10 0.00 2.41 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 0.00 0.00 0.00 6 P 0.00 3.67 0.00 1.02 0.92 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 7 T 8.52 4.12 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 8 P 0.00 4.05 0.00 2.19 2.21 0.00 3.63 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 2.05 1.98 0.00 9 D 7.65 4.68 0.00 2.70 2.70 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 10 E 8.14 4.98 0.00 1.88 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 2.16 2.22 0.00 11 L 7.47 4.41 0.00 1.73 1.67 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 12 H 9.20 4.68 0.00 3.60 3.40 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.53 4.74 0.00 1.90 1.98 0.00 1.73 0.00 0.00 1.93 0.00 0.00 3.12 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.48 1.52 7.81 14 S 8.97 4.24 0.00 4.09 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 15 S 8.31 4.45 0.00 4.05 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 16 E 8.60 4.50 0.00 2.25 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 2.28 2.27 0.00 17 F 7.84 5.34 0.00 3.02 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.72 4.44 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 1.12 0.00 0.00 19 G 5.38 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 20 T 7.52 3.15 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 0.40 0.00 0.00 21 M 8.44 4.07 0.00 2.43 2.08 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 2.82 0.00 22 G 7.30 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.32 3.55 0.00 2.81 2.98 0.00 0.00 6.99 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 24 M 7.05 3.70 0.00 1.36 0.57 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.43 0.00 25 K 7.78 3.84 0.00 1.91 1.94 0.00 1.89 0.00 0.00 1.83 0.00 0.00 3.22 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.64 1.71 7.81 26 Y 7.62 4.52 0.00 2.93 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 27 L 7.69 3.91 0.00 1.53 0.96 1.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.11 4.82 0.00 3.36 3.17 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 0.00 29 D 8.49 4.50 0.00 2.83 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 30 D 8.82 4.49 0.00 2.86 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 31 H 7.87 4.75 0.00 3.35 3.27 0.00 5.82 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.31 4.61 0.00 2.74 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 33 V 8.32 4.31 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.65 0.00 0.00 34 S 8.51 5.12 0.00 3.90 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.92 4.74 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 36 T 8.80 4.12 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 37 K 7.59 4.84 0.00 1.56 1.69 0.00 1.61 0.00 0.00 1.16 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.19 1.28 7.81 38 V 8.71 4.54 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 1.17 0.00 0.00 1.01 0.00 0.00 39 M 8.69 5.55 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.34 0.00 40 S 8.33 3.36 0.00 3.78 3.43 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 41 V 8.11 3.77 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 0.72 0.00 0.00 0.91 0.00 0.00 42 D 7.36 4.51 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 43 K 8.21 4.86 0.00 1.73 1.68 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.72 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.56 1.39 7.81 44 F 9.41 4.64 0.00 2.93 3.32 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 45 L 8.47 4.29 0.00 1.73 1.22 0.17 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.44 3.91 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 H 7.88 4.82 0.00 3.62 3.57 0.00 5.60 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 7.61 5.49 0.00 2.65 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 49 L 8.77 4.99 0.00 1.79 1.41 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.78 4.93 1.89 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.88 1.10 0.00 0.00 51 Y 9.16 4.75 0.00 2.86 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 52 N 8.68 5.41 0.00 2.63 2.83 0.00 0.00 6.87 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.69 4.44 1.94 0.00 0.00 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 1.30 0.69 0.99 0.00 0.00 54 S 8.69 4.59 0.00 3.90 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 55 D 8.27 4.04 0.00 1.98 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.43 3.94 0.00 1.87 1.93 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.39 7.81 57 K 8.01 4.00 0.00 1.84 1.36 0.00 1.53 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.27 7.81 58 L 8.97 4.48 0.00 1.66 1.67 0.90 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.16 3.58 0.00 1.76 1.75 0.00 1.77 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.32 7.81 60 N 8.19 4.51 0.00 2.98 2.72 0.00 0.00 6.61 7.02 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 61 Y 6.69 5.06 0.00 3.01 3.18 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 62 D 9.17 5.24 0.00 2.58 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 63 K 8.16 4.88 0.00 1.74 1.79 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.54 7.81 64 V 8.78 4.60 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 0.78 0.00 0.00 0.53 0.00 0.00 65 K 8.41 4.73 0.00 0.79 0.74 0.00 1.74 0.00 0.00 0.61 0.00 0.00 2.15 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.96 0.97 7.81 66 T 8.71 4.73 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 1.23 0.00 0.00 67 E 8.66 5.11 0.00 1.88 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 2.29 2.09 0.00 68 L 8.87 5.24 0.00 1.74 1.61 1.05 0.32 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 69 L 8.49 3.85 0.00 1.74 1.75 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 70 N 7.40 4.41 0.00 3.12 2.88 0.00 0.00 6.49 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 71 E 8.37 4.02 0.00 2.11 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 2.38 2.47 0.00 72 D 9.00 4.35 0.00 3.01 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.09 4.06 0.00 1.82 1.88 1.07 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.91 4.14 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 75 K 8.10 3.80 0.00 1.92 1.88 0.00 1.70 0.00 0.00 1.62 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.77 7.81 76 K 7.61 3.86 0.00 1.53 1.79 0.00 1.59 0.00 0.00 1.44 0.00 0.00 2.32 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.45 1.13 7.81 77 Y 7.59 4.52 0.00 3.18 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 78 K 7.35 4.76 0.00 1.72 1.71 0.00 1.49 0.00 0.00 1.47 0.00 0.00 3.24 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.40 7.81 79 D 8.93 4.93 0.00 2.84 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.82 4.59 0.00 2.25 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 81 V 8.33 4.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.98 0.00 0.00 82 V 9.20 4.99 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 0.88 0.00 0.00 1.21 0.00 0.00 83 D 9.26 5.34 0.00 2.66 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 84 V 8.69 5.29 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 0.87 0.00 0.00 0.45 0.00 0.00 85 Y 7.81 5.38 0.00 3.02 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.28 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.65 5.27 0.00 3.95 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 88 N 8.91 5.71 0.00 2.29 2.46 0.00 0.00 6.19 7.55 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 89 Y 7.25 4.70 0.00 3.15 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 90 Y 8.89 4.05 0.00 3.17 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 91 V 6.36 2.81 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 0.96 0.00 0.00 0.99 0.00 0.00 92 N 8.43 4.89 0.00 2.76 2.89 0.00 0.00 6.68 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 93 C 8.07 4.76 0.00 2.73 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 94 Y 7.51 3.35 0.00 2.52 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 95 F 7.56 4.67 0.00 2.80 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 7.54 4.85 0.00 3.91 3.17 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 0.00 97 S 8.94 4.19 0.00 4.06 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 98 K 8.42 4.10 0.00 1.90 2.06 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.41 7.81 99 D 7.20 4.68 0.00 2.67 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 0.00 100 N 8.29 3.90 0.00 2.99 2.87 0.00 0.00 6.31 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 T 8.07 4.05 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 1.19 0.00 0.00 106 G 7.30 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 0.00 107 G 7.28 3.66 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 0.00 108 K 7.66 4.82 0.00 1.57 1.57 0.00 1.29 0.00 0.00 0.67 0.00 0.00 2.43 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.81 0.79 7.81 109 T 8.92 4.45 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 0.19 0.00 0.00 110 C 7.58 5.17 0.00 1.31 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 0.00 0.00 0.00 111 M 8.16 4.99 0.00 1.81 1.73 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.55 0.00 112 Y 8.08 4.90 0.00 2.93 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 0.00 113 G 10.12 3.51 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 0.00 0.00 0.00 114 G 8.81 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 0.00 115 I 7.33 4.78 1.09 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.74 0.53 0.00 0.00 116 T 8.26 4.70 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 0.00 117 K 8.79 4.59 0.00 1.69 1.81 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.56 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.65 1.67 7.81 118 H 8.92 4.25 0.00 3.48 3.35 0.00 5.78 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.17 4.05 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 120 G 8.86 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 0.00 121 N 7.69 4.59 0.00 2.70 2.48 0.00 0.00 7.04 7.56 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 0.00 122 H 7.52 5.32 0.00 3.12 3.17 0.00 5.80 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 0.00 123 F 8.47 4.66 0.00 3.26 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 0.00 124 D 8.88 4.46 0.00 2.83 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 0.00 125 N 7.64 4.83 0.00 2.76 2.73 0.00 0.00 7.16 7.53 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 0.00 126 G 8.11 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 0.00 127 N 8.47 4.65 0.00 2.68 2.85 0.00 0.00 6.72 7.85 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 0.00 128 L 7.28 3.97 0.00 0.42 0.23 0.77 0.76 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 0.00 129 Q 8.43 3.20 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 130 N 7.88 3.90 0.00 3.00 2.72 0.00 0.00 6.76 7.12 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 0.00 131 V 7.69 3.31 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 0.93 0.00 0.00 0.98 0.00 0.00 132 L 8.51 4.63 0.00 1.69 1.39 0.80 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 133 I 8.31 4.53 0.56 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.59 0.56 0.00 0.00 134 R 9.04 4.39 0.00 1.69 1.70 0.00 3.12 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 135 V 8.05 4.54 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 0.84 0.00 0.00 1.01 0.00 0.00 136 Y 8.79 4.84 0.00 2.84 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 0.00 137 E 9.41 4.57 0.00 2.01 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 0.00 2.34 2.43 0.00 138 N 9.00 4.11 0.00 2.97 2.87 0.00 0.00 7.14 7.49 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 0.00 139 K 8.38 4.52 0.00 1.90 2.09 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.38 7.81 140 R 7.49 4.05 0.00 2.00 1.83 0.00 3.36 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 141 N 8.53 4.51 0.00 2.26 2.64 0.00 0.00 6.99 7.70 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 0.00 142 T 7.92 4.27 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 1.19 0.00 0.00 143 I 7.06 4.80 1.88 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 1.35 0.67 1.01 0.00 0.00 144 S 8.43 5.13 0.00 3.60 3.57 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 0.00 145 F 8.42 4.89 0.00 2.44 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 0.00 146 E 8.66 4.90 0.00 1.79 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 2.10 2.17 0.00 147 V 8.35 4.59 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 0.74 0.00 0.00 0.92 0.00 0.00 148 Q 8.50 4.64 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 149 T 8.18 4.70 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 1.29 0.00 0.00 150 D 8.70 5.07 0.00 3.00 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 0.00 151 K 7.87 4.90 0.00 1.79 1.78 0.00 1.68 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.34 1.43 7.81 152 K 8.57 3.74 0.00 1.37 1.58 0.00 1.27 0.00 0.00 1.20 0.00 0.00 2.63 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 0.55 7.81 153 S 8.49 5.13 0.00 3.82 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 0.00 154 V 8.07 4.56 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 0.75 0.00 0.00 0.94 0.00 0.00 155 T 8.27 4.44 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 1.18 0.00 0.00 156 A 9.17 3.91 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 Q 8.23 3.74 0.00 1.77 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.84 0.00 0.00 0.00 0.00 0.00 2.20 1.24 0.00 158 E 7.89 3.75 0.00 1.74 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 1.95 1.47 0.00 159 L 7.62 4.12 0.00 2.31 1.86 1.06 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 160 D 8.10 4.50 0.00 3.39 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 0.00 161 I 8.10 4.19 2.28 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.95 1.21 0.00 0.00 162 K 8.25 4.10 0.00 1.87 1.94 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.45 1.55 7.81 163 A 8.15 4.31 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 R 8.46 3.90 0.00 1.74 1.99 0.00 2.21 0.00 0.00 2.65 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 165 N 8.67 4.67 0.00 3.18 3.18 0.00 0.00 6.57 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 0.00 166 F 8.21 3.90 0.00 3.12 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 0.00 167 L 8.18 3.96 0.00 1.84 1.61 0.91 0.74 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 0.00 168 I 8.26 3.77 2.13 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.17 1.04 0.00 0.00 169 N 7.55 4.24 0.00 2.42 2.69 0.00 0.00 7.08 7.39 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 0.00 170 K 7.54 4.16 0.00 1.11 1.62 0.00 0.87 0.00 0.00 0.61 0.00 0.00 2.79 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.79 1.13 7.81 171 K 7.68 4.48 0.00 1.86 1.85 0.00 1.98 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.51 7.81 172 N 8.18 4.80 0.00 2.82 2.87 0.00 0.00 7.18 7.85 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 0.00 173 L 8.22 4.12 0.00 1.41 1.44 0.55 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 174 Y 7.58 4.88 0.00 3.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 E 8.42 4.85 0.00 2.15 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 2.28 2.31 0.00 176 F 8.74 4.28 0.00 3.20 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 0.00 177 N 7.78 4.65 0.00 3.13 2.79 0.00 0.00 6.50 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 0.00 178 S 8.68 4.59 0.00 3.84 3.53 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 0.00 179 S 8.47 4.91 0.00 3.95 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 P 0.00 4.23 0.00 1.57 2.05 0.00 3.89 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 1.84 1.93 0.00 181 Y 7.40 4.86 0.00 2.89 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 0.00 182 E 9.80 4.56 0.00 2.12 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 2.33 2.20 0.00 183 T 7.31 5.22 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 0.00 184 G 8.30 4.88 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 0.00 185 Y 7.68 5.56 0.00 3.42 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 0.00 186 I 8.95 4.58 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 1.10 1.25 0.00 0.00 187 K 9.10 4.92 0.00 2.15 1.69 0.00 1.84 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.43 7.81 188 F 8.64 5.04 0.00 1.51 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 I 8.70 4.90 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 1.21 0.70 0.92 0.00 0.00 190 E 9.42 4.75 0.00 2.31 1.97 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 2.50 2.70 0.00 191 N 8.88 4.37 0.00 2.83 3.02 0.00 0.00 6.06 8.04 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 0.00 192 N 8.11 4.52 0.00 2.87 2.99 0.00 0.00 6.31 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 G 8.49 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 0.00 194 N 8.35 4.50 0.00 2.99 2.96 0.00 0.00 6.51 6.80 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 0.00 195 T 8.45 5.34 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 1.34 0.00 0.00 196 F 8.49 5.38 0.00 2.96 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 0.00 197 W 8.31 5.65 0.00 3.53 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 Y 8.94 5.04 0.00 3.13 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 0.00 199 D 9.00 5.33 0.00 3.00 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 0.00 200 M 9.19 4.72 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.50 0.00 201 M 8.46 4.53 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.73 0.00 202 P 0.00 4.31 0.00 1.22 0.77 0.00 3.57 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.62 0.00 203 A 8.32 3.83 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 0.00 204 P 0.00 4.51 0.00 2.12 2.07 0.00 3.73 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 2.11 2.18 0.00 205 G 8.77 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 D 7.93 4.02 0.00 2.57 2.42 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 0.00 207 K 7.82 4.46 0.00 1.83 1.81 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.40 7.81 208 F 8.83 4.97 0.00 2.98 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 D 8.03 4.46 0.00 2.64 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 7.95 3.42 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.68 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 211 S 7.38 3.43 0.00 3.85 3.30 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 0.00 212 K 7.60 3.84 0.00 1.76 1.76 0.00 1.73 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.38 7.81 213 Y 7.39 3.91 0.00 3.04 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 0.00 214 L 8.18 4.08 0.00 1.88 2.11 1.24 1.46 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 0.00 215 M 7.08 2.55 0.00 1.63 1.70 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 216 M 6.82 3.78 0.00 1.58 1.58 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.68 0.00 217 Y 7.64 4.51 0.00 3.11 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 0.00 218 N 8.22 4.81 0.00 3.07 3.29 0.00 0.00 6.64 7.63 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 0.00 219 D 8.06 4.34 0.00 2.74 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 0.00 220 N 7.91 4.10 0.00 2.85 2.94 0.00 0.00 7.09 7.78 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 0.00 221 K 8.26 4.06 0.00 1.83 1.68 0.00 1.33 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.76 1.25 7.81 222 T 8.46 5.10 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 1.25 0.00 0.00 223 V 8.62 4.61 2.20 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 1.08 0.00 0.00 1.01 0.00 0.00 224 D 8.52 5.38 0.00 2.82 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 0.00 225 S 8.91 4.28 0.00 4.10 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 0.00 226 K 8.44 4.13 0.00 1.92 1.97 0.00 1.92 0.00 0.00 2.35 0.00 0.00 3.15 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.61 1.49 7.81 227 S 7.37 4.77 0.00 4.00 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 0.00 228 V 7.92 4.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.06 0.00 0.00 229 K 9.04 4.65 0.00 1.68 1.64 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.40 7.81 230 I 7.88 4.82 1.62 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 0.95 0.81 0.42 0.00 0.00 231 E 8.77 5.50 0.00 1.82 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 2.23 2.04 0.00 232 V 8.25 4.53 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 0.67 0.00 0.00 0.79 0.00 0.00 233 H 8.95 4.84 0.00 1.45 2.71 0.00 5.78 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 L 8.60 5.18 0.00 1.41 1.32 0.61 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 235 T 8.13 4.88 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 1.25 0.00 0.00 236 T 8.61 4.73 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 1.17 0.00 0.00 237 K 8.07 4.40 0.00 1.64 1.75 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.46 1.40 7.81 238 N 8.64 4.76 0.00 2.71 2.75 0.00 0.00 6.70 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 0.00 239 G 8.18 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.