NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3178 8.3149 121.7920 55.8826 33.5616 175.1674 3 K 4.5597 8.0934 121.4072 54.5204 33.6693 171.1462 4 V 4.7311 9.4315 122.7544 59.9944 35.1167 174.0045 5 I 4.7244 8.8077 125.0809 59.7653 39.3556 174.4305 6 I 4.6086 8.6572 128.6485 59.4669 39.1094 174.5083 7 A 5.1170 8.6681 129.2527 50.2114 21.2499 176.2683 8 G 3.9111 8.9543 110.7506 44.7417 0.0000 173.8887 9 N 5.2091 8.4016 115.3740 52.8157 39.3635 175.6033 10 G 4.1070 8.1906 108.6224 43.9718 0.0000 173.7285 11 P 4.1975 0.0000 0.0000 65.7617 30.6833 178.5044 12 S 4.1205 8.2767 113.6584 60.6204 62.4874 176.0396 13 L 3.7936 7.6958 123.9063 57.6522 41.8314 177.9846 14 K 3.4966 7.5056 115.4479 55.8916 32.7329 176.4840 15 E 4.6973 7.8683 119.2208 55.6590 30.3153 176.3187 16 I 3.6931 7.4125 119.2833 60.6026 38.1166 176.6130 17 D 4.4864 8.2127 125.6600 53.1694 39.7950 176.0955 18 Y 4.0721 8.1394 123.8778 60.1586 38.4492 179.1080 19 S 4.5796 8.1077 115.7206 60.3760 62.9816 175.8042 20 R 4.4961 7.8037 116.8545 55.0811 30.5463 176.3681 21 L 3.6285 7.4487 121.4873 54.1149 42.1685 174.9427 22 P 4.3561 0.0000 0.0000 62.6655 31.3044 175.3153 23 N 4.4658 8.0742 115.9493 54.4402 38.9349 174.8396 24 D 4.7340 7.7983 123.5885 53.0511 42.4775 174.8063 25 F 5.3160 7.7265 119.8407 55.6353 41.5190 173.2764 26 D 5.1835 9.5692 119.4801 52.7362 44.2662 175.4745 27 V 4.9454 8.4091 119.4409 61.2680 35.0069 173.9488 28 F 5.6736 9.1640 126.2179 56.0039 41.4879 174.8575 29 R 5.0742 8.7557 121.9356 54.4343 34.2162 174.1148 30 C 5.1975 8.3035 113.6597 56.2855 33.8473 177.7450 31 N 4.4093 9.5286 118.3418 54.8842 39.3798 176.1889 32 Q 3.2234 8.3459 125.0398 56.1856 28.6816 177.6509 33 F 4.6808 8.2298 115.5752 59.5184 38.1054 176.6417 34 Y 4.4061 6.0775 116.1391 57.7447 37.7310 176.5804 35 F 4.6386 7.6812 119.5540 59.0896 39.3092 175.7095 36 E 4.2969 8.0551 119.8981 56.5329 29.8424 177.0375 37 D 4.3292 8.7407 119.8303 54.0548 40.3093 175.9162 38 K 4.2591 7.0108 117.3904 54.7058 36.3744 176.2837 39 Y 4.7758 8.2443 120.2354 56.7901 36.0994 176.2068 40 Y 4.6725 7.7117 118.7008 59.8985 38.6365 177.7628 41 L 4.7486 8.1522 117.0781 54.0913 43.2934 177.3623 42 G 4.2377 8.6282 103.7132 45.4847 0.0000 174.3792 43 K 3.9040 7.9636 116.8576 57.6052 33.4075 176.7645 44 K 4.6183 7.9993 121.8461 55.6400 32.9969 175.5629 45 C 5.0116 9.1309 125.4952 58.0642 30.9428 175.0333 46 K 4.2271 9.5047 124.3279 59.1765 33.2111 176.4315 47 A 4.9695 7.8110 119.0256 50.6091 22.6061 175.4526 48 V 4.6794 7.8569 112.8436 59.3955 34.9992 175.2822 49 F 4.7025 9.0360 123.2147 55.8471 41.8194 174.1920 50 Y 5.7498 8.2873 119.1376 55.0185 42.1677 174.9154 51 N 4.7883 9.1449 120.0479 52.4607 39.6731 174.4920 52 P 4.1521 0.0000 0.0000 65.6298 31.6650 178.9040 53 S 4.1116 8.1415 111.5915 60.6482 62.9025 174.9008 54 L 5.0201 7.7527 117.8318 52.9118 42.7505 177.7088 55 F 3.8025 8.1886 123.6154 61.3717 38.7793 176.6848 56 F 4.1654 8.5423 119.6428 61.8133 38.4749 176.9024 57 E 3.7736 8.0670 117.1419 59.1368 29.4085 179.0598 58 Q 3.5958 8.0136 118.5058 58.5183 28.4825 178.1140 59 Y 3.4634 7.5714 121.1132 60.4888 38.2733 177.1249 60 Y 4.0803 7.4279 119.9969 61.1387 38.8612 178.3335 61 T 3.5123 7.8465 116.6902 66.3973 68.4173 176.3725 62 L 3.7853 7.8444 122.5879 58.0454 41.9938 179.1805 63 K 3.7618 7.6314 118.4464 59.5379 31.8383 178.8328 64 H 4.0564 7.5314 117.6167 59.0155 29.6674 177.2196 65 L 3.9847 7.7587 120.8587 57.8283 41.4116 179.7355 66 I 4.2057 7.8392 121.0777 64.1302 36.9411 178.5669 67 Q 4.0258 7.9322 117.5493 58.5640 28.5524 177.3974 68 N 4.5595 8.1469 115.7792 52.9286 38.9287 174.6353 69 Q 3.6162 7.6194 115.8581 57.5190 26.9678 174.6990 70 E 4.1870 8.4301 119.6138 58.4237 29.5660 176.2306 71 Y 5.2322 7.5652 114.0123 56.8211 43.1299 173.7237 72 E 4.8774 9.2357 117.6482 55.4687 33.4382 174.2804 73 T 5.6504 8.1970 114.2726 61.3554 70.0820 172.9977 74 E 4.2606 9.0475 129.0809 58.4526 30.6520 176.3136 75 L 4.9826 8.2298 118.5271 52.9618 45.2713 175.7193 76 I 4.8634 8.0294 120.6012 59.5747 42.2658 173.8023 *78 C 4.7438 8.3769 122.5208 59.5052 32.5558 173.7585 79 S 4.2259 8.7909 125.0538 57.2041 59.9953 173.1797 80 N 4.7471 7.7109 119.8963 51.3750 39.6916 175.3021 81 Y 4.1710 9.9756 113.2850 56.3950 40.2882 175.2504 82 N 4.0128 7.8749 115.7022 54.2869 36.3484 174.8974 83 Q 4.4183 7.5462 115.6010 53.7919 32.6683 176.7509 84 A 4.0079 8.9315 126.6268 55.4138 18.4880 177.7611 85 H 4.5625 8.1441 108.3696 56.4802 29.2395 175.6346 86 L 4.5319 7.5619 119.3444 55.3386 43.2969 176.2629 87 E 4.6701 7.6059 115.1937 53.2165 33.6583 174.8356 88 N 4.4275 8.4977 119.4606 53.3482 40.2512 175.2939 89 E 3.9243 8.8301 128.5163 59.6628 29.9014 178.4364 90 N 4.3405 8.2161 116.4765 56.3085 38.7991 176.2910 91 F 3.9666 8.5807 121.9839 61.3132 39.6741 177.0761 92 V 3.5991 7.7863 117.5020 65.7226 31.1509 177.5805 93 K 3.9061 7.8674 118.4332 59.5729 32.3293 177.8650 94 T 4.4803 7.8950 107.3346 61.3454 69.1208 175.7313 95 F 3.7080 7.6832 125.0914 62.2955 38.8107 176.8859 96 Y 4.2110 8.1677 114.6218 60.2807 37.5027 177.3369 97 D 4.4869 7.9827 118.8288 55.9456 41.3714 177.5393 98 Y 3.9019 7.6171 115.6862 58.4016 39.8323 175.7106 99 F 4.6358 7.4261 117.7897 54.2646 39.5017 173.2029 100 P 4.5423 0.0000 0.0000 64.1484 31.7299 177.2130 101 D 4.8751 8.3225 114.8009 52.8148 39.5230 175.0007 102 A 5.2375 8.0420 121.3385 51.0826 22.0509 175.7784 103 H 5.2706 9.5043 115.0197 54.2990 33.3291 173.7894 104 L 3.6663 8.8012 121.7126 53.7082 42.2126 178.4696 105 G 4.1410 9.3864 113.4993 47.5075 0.0000 174.8770 106 Y 4.4831 8.7365 121.7914 60.7071 38.5107 177.6366 107 D 4.3618 7.9928 119.1955 56.7313 40.9695 177.9602 108 F 4.4811 7.7889 116.8692 59.1884 40.1426 177.5126 109 F 4.0002 8.7341 120.9887 61.2239 38.9241 176.9384 110 K 4.2534 8.0030 116.4616 58.7730 32.4501 178.5316 111 Q 4.2286 8.0115 119.1527 57.1003 29.9173 177.1225 112 L 4.4756 7.3751 121.8187 52.3779 39.8681 176.6628 113 K 3.9793 8.3108 122.8165 59.7651 32.4116 177.9978 114 D 4.5698 8.3871 118.2910 57.5433 40.8217 178.5620 115 F 4.4114 8.6118 121.3936 61.0379 39.3505 176.8154 116 N 4.5005 8.7308 117.0753 56.7219 38.7557 176.6951 117 A 4.1207 8.3883 122.2413 55.2935 18.4010 178.8809 118 Y 3.8852 8.1447 118.1606 60.7362 38.7734 178.0967 119 F 3.9860 8.6254 121.6715 61.2614 39.4911 177.0478 120 K 3.6839 8.6323 118.4496 59.3905 31.9256 179.0113 121 F 4.3533 8.3814 120.8273 61.9054 39.3190 176.9865 122 H 4.0129 7.7669 115.4574 58.3388 28.5098 177.5986 123 E 4.0558 7.6337 122.5881 58.5440 29.2375 178.8107 124 I 3.3188 7.3479 118.6150 64.5061 37.2455 177.6226 125 Y 3.9533 7.1727 115.1412 58.7554 37.9531 176.3639 126 F 4.8734 7.1114 114.6846 56.0649 40.3964 174.0940 127 N 4.1335 7.6949 117.4676 54.5418 37.8079 173.5089 128 Q 4.5347 7.9830 115.0616 53.7926 30.0366 175.1515 129 R 4.8227 8.3181 122.2385 54.2971 33.1126 174.5179 130 I 4.5893 8.6711 116.8822 60.0451 39.6241 175.0867 131 T 4.4893 8.5224 112.1250 60.0707 70.4754 175.9854 132 S 4.2150 8.6901 117.3582 61.6812 63.0433 177.0083 133 G 3.7851 8.2501 106.0727 47.9409 0.0000 175.4373 134 V 3.8707 7.8319 120.4198 65.5314 31.4541 177.9195 135 Y 4.3603 8.0443 116.7279 58.5633 38.5683 177.4766 *137 C 4.3200 8.0882 117.2068 59.2809 30.4492 176.0217 138 A 3.6304 7.9928 121.0991 55.2090 17.8955 179.8330 139 V 3.5889 7.9356 116.5386 65.9819 31.6166 178.0313 140 A 4.2753 8.0903 120.0304 55.3957 18.3041 179.4219 141 I 3.6074 7.8660 118.1031 64.5896 36.9335 178.6100 142 A 4.0067 7.9987 120.5247 54.8503 18.2905 178.9297 143 L 4.3092 7.9212 115.3943 55.4397 42.0148 177.8714 144 G 3.9925 7.7880 107.3785 45.0795 0.0000 173.7478 145 Y 4.1331 7.6545 117.3114 58.0361 38.6343 175.7642 146 K 4.4992 8.8004 121.5157 56.8975 35.2043 175.9305 147 E 5.1168 8.2642 119.2412 54.4259 32.9469 175.1185 148 I 4.9207 8.7712 125.5962 59.6399 40.5126 174.0153 149 Y 5.0004 9.1469 125.3245 56.3012 40.0502 174.8079 150 L 5.1293 9.2122 125.5574 53.7408 43.9293 176.0109 151 S 4.5758 8.7991 116.2612 57.8322 67.0276 174.8867 152 G 3.9286 8.6355 106.4076 46.5482 0.0000 173.0755 153 I 4.3675 7.4168 120.0815 59.7543 37.5146 174.7116 154 D 4.4751 7.9722 123.2017 52.7608 42.5004 176.3488 155 F 3.6685 7.1472 116.2021 58.7430 36.2379 177.5058 *168 Q 4.0820 7.3629 118.3039 55.1003 29.4681 176.4344 169 K 3.8896 8.4439 122.9026 60.1187 32.4024 178.6343 170 N 4.3176 8.5971 117.6661 55.8309 38.4334 177.1016 171 L 3.8814 8.0238 121.3995 58.2796 41.6612 179.0746 172 L 3.9827 7.9818 120.1076 56.8645 41.2263 179.5583 173 K 3.9648 7.8356 119.1188 59.5914 32.3061 178.6801 174 L 4.4018 8.1236 117.9704 55.9930 42.2852 176.9458 175 A 4.6555 8.5764 124.2790 48.9798 19.5150 174.6183 176 P 4.5451 0.0000 0.0000 65.8928 31.4973 178.9175 177 N 4.5543 8.1184 112.9100 52.2904 36.9584 174.3046 178 F 3.8908 7.8934 121.1588 59.1690 38.9461 174.1774 *188 H 4.8239 8.5990 124.2250 56.2076 29.7921 173.2919 189 S 4.6239 7.8687 114.1628 56.3360 66.3855 176.3632 190 K 3.6781 8.2943 123.1589 59.5661 32.0505 178.2515 191 N 4.0377 7.9564 116.7716 56.9964 38.7625 176.5464 192 T 3.8803 8.0929 117.1170 66.8372 68.5733 176.2971 193 D 4.5120 7.9173 120.6059 57.4969 40.8456 178.8465 194 I 3.5933 7.7056 120.2550 64.3532 37.0036 178.3899 195 K 3.9561 8.5649 120.4517 59.4177 31.9158 178.6919 196 A 4.1517 8.3896 121.2471 55.2567 18.3889 179.6343 197 L 3.9072 8.4715 117.9828 57.9237 41.7003 179.5664 198 E 3.9509 8.5759 118.9497 59.4225 29.3745 179.2258 199 F 3.9295 8.4301 120.7904 61.0149 39.3690 176.8971 200 L 3.9819 8.1207 120.2217 58.2391 41.6585 178.6420 201 E 3.9135 8.0456 118.1509 58.8862 29.6225 178.2841 202 K 3.9492 7.8109 119.1126 59.2237 32.2633 178.5014 203 T 3.6582 7.3992 115.2324 64.1433 68.7543 174.4892 204 Y 4.6363 6.7178 116.2891 55.8744 40.6786 176.4116 205 K 4.3117 8.3456 123.9673 55.0308 30.5905 175.3856 206 I 4.8400 7.2112 113.9619 58.9540 41.5469 174.7990 207 K 4.3994 9.0908 124.5116 54.5195 34.6263 174.5286 208 L 4.9827 8.1726 126.9114 53.1998 43.7459 175.4851 209 Y 5.0393 8.7900 120.1031 56.2883 42.7462 173.7355 210 C 5.0988 8.9427 121.8972 57.9792 33.6839 174.1793 211 L 4.3182 9.0861 125.8752 55.4569 42.7902 176.1417 212 C 4.5292 7.7815 117.6028 56.9666 28.6019 172.5718 213 P 4.3817 0.0000 0.0000 64.4637 31.2442 177.1267 214 N 4.7708 8.0069 115.1434 52.9743 39.0557 174.1453 215 S 4.8010 7.5015 113.9592 56.3726 64.3206 175.0420 216 L 4.1087 8.5741 125.2911 57.8755 41.2524 179.4724 217 L 4.5580 8.3548 119.6789 58.2082 41.7057 178.5907 218 A 4.0673 8.1823 120.0816 54.4513 18.3566 178.3385 219 N 4.3490 8.0536 113.4813 54.1123 38.7711 175.6885 220 F 4.8463 7.7266 116.4722 56.9446 41.9566 174.9591 221 I 4.5185 7.8795 120.6466 58.6714 39.4581 174.9587 222 E 4.0801 8.6374 125.4524 56.6181 30.4876 176.0255 223 L 4.7240 8.5821 126.0992 54.3881 42.6140 176.7766 224 A 3.7274 8.6427 125.6226 51.0153 19.2822 175.9531 225 P 4.1401 0.0000 0.0000 62.5157 31.9101 175.2672 226 N 4.2610 8.6753 120.5336 53.9038 39.0893 174.3080 227 L 4.5233 8.5784 124.6550 53.7316 42.5755 176.0279 228 N 4.1798 8.4828 115.4598 54.3793 36.2364 174.4859 229 S 4.6800 7.5866 112.4862 57.7762 64.7159 173.5410 230 N 5.1169 8.2716 118.7755 51.8190 41.4590 174.4098 231 F 4.4903 8.2803 121.4431 57.3791 42.1952 173.4847 232 I 3.7429 7.5197 129.6005 60.4328 37.4037 175.6575 233 I 4.0832 7.9382 127.2924 59.9882 36.7477 175.1358 234 Q 4.1644 8.2935 127.8855 55.7913 30.1207 175.5462 235 E 4.4500 8.6956 125.6346 56.0491 30.9087 175.8071 236 K 4.5087 7.7476 118.3186 54.7459 34.9040 176.1163 237 N 5.1366 8.3671 119.5522 52.7925 42.5312 173.7215 238 N 4.1410 8.7819 116.6460 54.3668 36.5254 173.9158 239 Y 4.7952 7.5045 113.7062 55.5253 40.2085 174.7742 240 T 4.1286 9.6404 119.3626 63.7908 68.5747 174.7267 241 K 4.6424 8.4172 124.7406 55.9203 33.2962 175.0497 242 D 4.5355 7.7813 116.2357 53.1783 44.0313 174.5978 243 I 4.1610 8.4387 124.1952 60.8744 38.7809 175.3358 244 L 4.4767 8.5211 126.8143 53.7834 42.6748 176.4277 245 I 4.4620 8.1456 122.9962 58.6347 38.4938 174.1315 246 P 3.7465 0.0000 0.0000 61.8218 31.8293 176.6870 247 S 4.4195 8.0686 114.2326 58.3333 64.8209 175.3846 248 S 4.3478 8.6592 117.7236 61.7049 62.5161 176.4906 249 E 4.0014 8.1989 120.9897 59.0622 29.6022 178.5733 250 A 4.2365 8.0154 120.8934 55.5318 18.5195 179.2827 251 Y 4.1494 8.4580 115.4686 61.2089 37.6972 179.1210 252 G 3.7480 8.2584 106.0003 47.7960 0.0000 175.5534 253 K 4.2595 7.8886 119.1673 57.9700 32.4820 178.0703 254 F 4.3096 7.7306 118.7224 57.5069 39.7547 176.6195 255 S 4.2061 8.0798 114.0595 62.7181 62.2328 176.7388 256 K 4.0141 7.8501 119.9733 58.2164 31.8221 177.2216 257 N 4.8004 7.4437 115.0729 52.6514 38.7365 175.0513 258 I 4.0958 7.2621 125.2214 61.4451 37.6563 175.3049 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 2 K 8.31 4.32 0.00 1.78 1.93 0.00 1.77 0.00 0.00 2.11 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.69 7.81 3 K 8.09 4.56 0.00 2.01 1.95 0.00 1.71 0.00 0.00 1.91 0.00 0.00 3.28 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.77 1.59 7.81 4 V 9.43 4.73 0.72 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 0.35 0.00 0.00 -0.31 0.00 0.00 5 I 8.81 4.72 1.67 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.25 0.72 0.00 0.00 6 I 8.66 4.61 1.76 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.29 0.84 0.00 0.00 7 A 8.67 5.12 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.95 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.40 5.21 0.00 2.75 2.82 0.00 0.00 6.74 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 10 G 8.19 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.20 0.00 2.24 2.32 0.00 3.75 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 2.04 2.02 0.00 12 S 8.28 4.12 0.00 4.00 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 0.00 13 L 7.70 3.79 0.00 1.60 1.69 0.96 0.59 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 14 K 7.51 3.50 0.00 1.70 1.64 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.37 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.64 1.16 7.81 15 E 7.87 4.70 0.00 1.81 1.83 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 2.19 2.17 0.00 16 I 7.41 3.69 0.95 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 1.03 0.35 0.10 0.00 0.00 17 D 8.21 4.49 0.00 2.66 2.48 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 18 Y 8.14 4.07 0.00 3.15 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 19 S 8.11 4.58 0.00 3.95 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.80 4.50 0.00 1.78 1.97 0.00 3.08 0.00 0.00 3.21 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 0.00 21 L 7.45 3.63 0.00 1.52 1.72 0.27 0.87 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 22 P 0.00 4.36 0.00 2.06 1.50 0.00 3.17 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.68 0.00 23 N 8.07 4.47 0.00 2.75 2.84 0.00 0.00 6.76 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.80 4.73 0.00 2.78 2.57 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 25 F 7.73 5.32 0.00 2.97 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 26 D 9.57 5.18 0.00 2.62 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.41 4.95 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 0.96 0.00 0.00 1.30 0.00 0.00 28 F 9.16 5.67 0.00 2.80 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 29 R 8.76 5.07 0.00 0.74 1.26 0.00 3.22 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.25 0.00 30 C 8.30 5.20 0.00 3.06 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 31 N 9.53 4.41 0.00 2.87 2.00 0.00 0.00 7.35 7.43 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 32 Q 8.35 3.22 0.00 1.39 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.89 0.00 0.00 0.00 0.00 0.00 1.21 1.45 0.00 33 F 8.23 4.68 0.00 3.23 3.49 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 34 Y 6.08 4.41 0.00 3.17 2.35 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 35 F 7.68 4.64 0.00 2.95 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 36 E 8.06 4.30 0.00 2.51 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 0.00 2.76 2.37 0.00 37 D 8.74 4.33 0.00 2.88 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 38 K 7.01 4.26 0.00 0.79 1.29 0.00 1.67 0.00 0.00 1.58 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.12 1.24 7.81 39 Y 8.24 4.78 0.00 3.07 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 40 Y 7.71 4.67 0.00 3.17 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.15 4.75 0.00 1.77 1.73 0.93 0.75 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 42 G 8.63 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 0.00 0.00 0.00 0.00 43 K 7.96 3.90 0.00 1.43 1.45 0.00 1.17 0.00 0.00 1.39 0.00 0.00 2.54 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.41 7.81 44 K 8.00 4.62 0.00 1.76 1.74 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.49 7.81 45 C 9.13 5.01 0.00 2.92 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 9.50 4.23 0.00 2.03 2.30 0.00 1.74 0.00 0.00 1.96 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.86 1.72 7.81 47 A 7.81 4.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.86 4.68 1.59 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 0.30 0.00 0.00 0.83 0.00 0.00 49 F 9.04 4.70 0.00 2.79 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 50 Y 8.29 5.75 0.00 3.14 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 51 N 9.14 4.79 0.00 2.87 2.78 0.00 0.00 7.08 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 52 P 0.00 4.15 0.00 2.02 1.80 0.00 3.57 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 53 S 8.14 4.11 0.00 3.99 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.75 5.02 0.00 1.66 1.64 0.89 0.91 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 55 F 8.19 3.80 0.00 3.41 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.54 4.17 0.00 2.85 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 57 E 8.07 3.77 0.00 2.06 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 2.52 2.34 0.00 58 Q 8.01 3.60 0.00 1.12 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 59 Y 7.57 3.46 0.00 2.04 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 60 Y 7.43 4.08 0.00 2.71 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 61 T 7.85 3.51 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 0.66 0.00 0.00 62 L 7.84 3.79 0.00 1.73 1.56 1.05 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.63 3.76 0.00 1.76 1.70 0.00 1.60 0.00 0.00 1.32 0.00 0.00 2.19 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.02 1.38 7.81 64 H 7.53 4.06 0.00 2.99 3.24 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.76 3.98 0.00 1.92 1.89 0.42 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 66 I 7.84 4.21 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.91 0.00 0.00 67 Q 7.93 4.03 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.12 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 68 N 8.15 4.56 0.00 2.38 2.68 0.00 0.00 7.26 6.66 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 69 Q 7.62 3.62 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 70 E 8.43 4.19 0.00 2.23 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 2.40 2.27 0.00 71 Y 7.57 5.23 0.00 3.03 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 72 E 9.24 4.88 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 73 T 8.20 5.65 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 74 E 9.05 4.26 0.00 2.06 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 0.00 2.31 2.38 0.00 75 L 8.23 4.98 0.00 1.40 1.38 0.79 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.03 4.86 2.14 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.75 1.28 0.00 0.00 *78 C 8.38 4.74 0.00 2.36 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 79 S 8.79 4.23 0.00 3.39 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 80 N 7.71 4.75 0.00 3.01 2.70 0.00 0.00 6.13 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 81 Y 9.98 4.17 0.00 2.90 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 82 N 7.87 4.01 0.00 1.83 2.68 0.00 0.00 6.69 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 83 Q 7.55 4.42 0.00 1.91 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.86 0.00 0.00 0.00 0.00 0.00 2.52 2.30 0.00 84 A 8.93 4.01 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.14 4.56 0.00 3.25 3.37 0.00 5.50 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 86 L 7.56 4.53 0.00 1.61 1.76 0.82 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 87 E 7.61 4.67 0.00 1.88 1.80 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 2.18 2.34 0.00 88 N 8.50 4.43 0.00 2.71 2.72 0.00 0.00 6.58 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 89 E 8.83 3.92 0.00 2.12 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 0.00 2.39 2.45 0.00 90 N 8.22 4.34 0.00 2.84 2.93 0.00 0.00 6.76 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 91 F 8.58 3.97 0.00 3.17 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 92 V 7.79 3.60 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 0.94 0.00 0.00 1.08 0.00 0.00 93 K 7.87 3.91 0.00 1.90 2.04 0.00 1.86 0.00 0.00 1.94 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.50 7.81 94 T 7.90 4.48 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 95 F 7.68 3.71 0.00 2.85 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 96 Y 8.17 4.21 0.00 3.22 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 97 D 7.98 4.49 0.00 2.66 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 7.62 3.90 0.00 2.30 1.77 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 99 F 7.43 4.64 0.00 2.16 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.54 0.00 2.09 2.18 0.00 3.73 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 2.02 2.13 0.00 101 D 8.32 4.88 0.00 2.91 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 0.00 102 A 8.04 5.24 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 0.00 103 H 9.50 5.27 0.00 3.09 3.54 0.00 5.85 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 0.00 104 L 8.80 3.67 0.00 1.58 1.61 0.89 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 105 G 9.39 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 0.00 0.00 0.00 106 Y 8.74 4.48 0.00 3.25 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 0.00 107 D 7.99 4.36 0.00 2.59 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 0.00 0.00 0.00 0.00 108 F 7.79 4.48 0.00 3.35 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 0.00 109 F 8.73 4.00 0.00 2.93 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 0.00 110 K 8.00 4.25 0.00 1.59 0.74 0.00 1.50 0.00 0.00 1.22 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.26 7.81 111 Q 8.01 4.23 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 7.19 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 112 L 7.38 4.48 0.00 1.58 1.56 0.48 0.18 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 0.00 113 K 8.31 3.98 0.00 1.91 1.98 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.62 7.81 114 D 8.39 4.57 0.00 2.96 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 8.61 4.41 0.00 3.44 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 0.00 116 N 8.73 4.50 0.00 3.07 3.14 0.00 0.00 7.04 8.56 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 0.00 117 A 8.39 4.12 1.50 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 0.00 0.00 118 Y 8.14 3.89 0.00 2.52 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 0.00 119 F 8.63 3.99 0.00 2.91 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.63 3.68 0.00 1.96 1.94 0.00 1.89 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 3.50 0.00 0.00 0.00 0.00 2.07 1.87 7.81 121 F 8.38 4.35 0.00 3.08 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 H 7.77 4.01 0.00 2.95 3.19 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 7.63 4.06 0.00 1.16 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 2.12 1.95 0.00 124 I 7.35 3.32 1.50 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.52 0.09 0.00 0.00 125 Y 7.17 3.95 0.00 1.57 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 0.00 0.00 0.00 126 F 7.11 4.87 0.00 3.01 2.81 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 0.00 127 N 7.69 4.13 0.00 2.77 2.82 0.00 0.00 7.03 6.35 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 0.00 128 Q 7.98 4.53 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.50 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 129 R 8.32 4.82 0.00 1.76 1.69 0.00 3.16 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.73 0.00 130 I 8.67 4.59 2.23 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.16 1.40 0.00 0.00 131 T 8.52 4.49 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 0.00 132 S 8.69 4.21 0.00 3.89 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 0.00 133 G 8.25 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 0.00 134 V 7.83 3.87 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 1.14 0.00 0.00 135 Y 8.04 4.36 0.00 3.28 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *137 C 8.09 4.32 0.00 3.18 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 0.00 138 A 7.99 3.63 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 V 7.94 3.59 2.35 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 1.18 0.00 0.00 1.13 0.00 0.00 140 A 8.09 4.28 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.87 3.61 1.74 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.62 0.56 0.00 0.00 142 A 8.00 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.92 4.31 0.00 2.09 1.79 1.07 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 144 G 7.79 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 0.00 145 Y 7.65 4.13 0.00 3.12 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 0.00 146 K 8.80 4.50 0.00 1.71 1.85 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.40 7.81 147 E 8.26 5.12 0.00 2.11 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 2.35 2.40 0.00 148 I 8.77 4.92 1.74 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.65 0.77 0.00 0.00 149 Y 9.15 5.00 0.00 2.76 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 0.00 150 L 9.21 5.13 0.00 1.53 1.52 0.90 0.70 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 0.00 151 S 8.80 4.58 0.00 3.74 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 0.00 152 G 8.64 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 0.00 153 I 7.42 4.37 1.65 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 1.29 0.78 0.42 0.00 0.00 154 D 7.97 4.48 0.00 2.51 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 F 7.15 3.67 0.00 3.20 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 *168 Q 7.36 4.08 0.00 2.19 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.85 0.00 0.00 0.00 0.00 0.00 1.53 2.02 0.00 169 K 8.44 3.89 0.00 1.97 2.08 0.00 1.50 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.54 7.81 170 N 8.60 4.32 0.00 3.16 2.96 0.00 0.00 6.69 6.29 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 0.00 171 L 8.02 3.88 0.00 1.84 1.78 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 172 L 7.98 3.98 0.00 1.92 1.75 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 173 K 7.84 3.96 0.00 1.89 2.02 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.52 7.81 174 L 8.12 4.40 0.00 1.65 1.75 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 175 A 8.58 4.66 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 0.00 176 P 0.00 4.55 0.00 2.27 2.36 0.00 3.92 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.96 0.00 177 N 8.12 4.55 0.00 2.88 2.99 0.00 0.00 5.95 7.43 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 0.00 178 F 7.89 3.89 0.00 3.26 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *188 H 8.60 4.82 0.00 3.28 3.32 0.00 5.84 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 0.00 189 S 7.87 4.62 0.00 3.98 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 K 8.29 3.68 0.00 1.68 1.65 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.82 0.21 7.81 191 N 7.96 4.04 0.00 2.69 2.73 0.00 0.00 7.13 7.22 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 0.00 192 T 8.09 3.88 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 193 D 7.92 4.51 0.00 2.89 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 I 7.71 3.59 1.59 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.30 0.37 0.00 0.00 195 K 8.56 3.96 0.00 1.89 2.11 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.75 1.60 7.81 196 A 8.39 4.15 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 L 8.47 3.91 0.00 1.85 1.74 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 198 E 8.58 3.95 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 199 F 8.43 3.93 0.00 2.90 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 0.00 200 L 8.12 3.98 0.00 1.96 1.57 0.11 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 201 E 8.05 3.91 0.00 1.92 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 2.22 2.20 0.00 202 K 7.81 3.95 0.00 1.70 1.64 0.00 1.77 0.00 0.00 1.53 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.20 1.33 7.81 203 T 7.40 3.66 3.38 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 0.14 0.00 0.00 204 Y 6.72 4.64 0.00 3.03 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 0.00 205 K 8.35 4.31 0.00 1.73 1.76 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.41 7.81 206 I 7.21 4.84 1.82 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 1.20 0.72 0.99 0.00 0.00 207 K 9.09 4.40 0.00 1.66 1.50 0.00 1.20 0.00 0.00 1.35 0.00 0.00 2.32 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.90 0.33 7.81 208 L 8.17 4.98 0.00 1.38 1.40 0.89 0.67 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 0.00 209 Y 8.79 5.04 0.00 2.16 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 C 8.94 5.10 0.00 3.01 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 0.00 211 L 9.09 4.32 0.00 1.64 1.50 0.70 0.90 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 0.00 212 C 7.78 4.53 0.00 2.88 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 0.00 213 P 0.00 4.38 0.00 2.15 2.15 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 214 N 8.01 4.77 0.00 2.69 2.85 0.00 0.00 6.79 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 S 7.50 4.80 0.00 3.75 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 0.00 216 L 8.57 4.11 0.00 2.14 2.06 0.99 0.58 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 0.00 217 L 8.35 4.56 0.00 1.94 1.74 1.14 1.00 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 0.00 218 A 8.18 4.07 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 0.00 219 N 8.05 4.35 0.00 1.87 2.13 0.00 0.00 6.75 7.01 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 0.00 220 F 7.73 4.85 0.00 3.07 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 0.00 221 I 7.88 4.52 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.93 0.87 0.00 0.00 222 E 8.64 4.08 0.00 2.02 1.77 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 2.52 2.41 0.00 223 L 8.58 4.72 0.00 1.58 1.60 0.93 0.81 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 0.00 224 A 8.64 3.73 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 0.00 225 P 0.00 4.14 0.00 2.17 2.13 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.74 0.00 226 N 8.68 4.26 0.00 2.69 2.77 0.00 0.00 6.95 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 0.00 227 L 8.58 4.52 0.00 1.64 1.65 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 228 N 8.48 4.18 0.00 2.83 2.88 0.00 0.00 6.90 7.14 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 0.00 229 S 7.59 4.68 0.00 4.13 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 0.00 230 N 8.27 5.12 0.00 2.70 2.71 0.00 0.00 6.68 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 0.00 231 F 8.28 4.49 0.00 3.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 I 7.52 3.74 1.53 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 1.27 0.47 0.75 0.00 0.00 233 I 7.94 4.08 1.85 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.37 0.86 0.00 0.00 234 Q 8.29 4.16 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.96 0.00 0.00 0.00 0.00 0.00 2.51 2.39 0.00 235 E 8.70 4.45 0.00 1.84 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 236 K 7.75 4.51 0.00 0.81 0.89 0.00 0.61 0.00 0.00 0.91 0.00 0.00 2.13 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.30 0.35 7.81 237 N 8.37 5.14 0.00 2.68 2.69 0.00 0.00 7.15 8.00 0.00 0.00 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 N 8.78 4.14 0.00 2.85 2.86 0.00 0.00 6.92 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 239 Y 7.50 4.80 0.00 3.34 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 0.00 240 T 9.64 4.13 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 1.27 0.00 0.00 241 K 8.42 4.64 0.00 1.46 1.41 0.00 1.32 0.00 0.00 1.36 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.96 1.06 7.81 242 D 7.78 4.54 0.00 2.44 2.48 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 0.00 243 I 8.44 4.16 2.00 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 1.43 0.96 0.97 0.00 0.00 244 L 8.52 4.48 0.00 1.53 1.56 0.50 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 245 I 8.15 4.46 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 1.57 0.65 1.13 0.00 0.00 246 P 0.00 3.75 0.00 1.48 0.66 0.00 3.70 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.56 0.00 247 S 8.07 4.42 0.00 4.37 4.04 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 0.00 248 S 8.66 4.35 0.00 4.12 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 0.00 249 E 8.20 4.00 0.00 1.99 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 2.35 2.47 0.00 250 A 8.02 4.24 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 251 Y 8.46 4.15 0.00 3.27 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 0.00 252 G 8.26 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 0.00 253 K 7.89 4.26 0.00 2.04 2.02 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.70 7.81 254 F 7.73 4.31 0.00 2.44 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 0.00 0.00 0.00 255 S 8.08 4.21 0.00 4.10 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 256 K 7.85 4.01 0.00 1.54 1.80 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.37 1.42 7.81 257 N 7.44 4.80 0.00 1.44 2.47 0.00 0.00 6.78 7.29 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 0.00 258 I 7.26 4.10 1.91 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.89 1.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.