NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4656 8.3044 120.3424 54.7942 33.4733 173.7887 2 K 3.9909 8.6722 121.2305 56.9138 32.3719 175.7382 3 M 4.5269 8.8173 125.5358 55.8110 33.6039 177.4420 4 K 3.8643 8.1974 120.3263 59.8998 32.2321 178.1120 5 E 4.0176 8.3163 117.9743 59.3432 29.3493 179.0639 6 F 4.2760 8.4192 120.1917 61.4030 39.5571 177.0213 7 L 3.7488 8.3485 118.8902 57.7397 41.3894 179.2781 8 D 4.2948 8.3032 118.9266 57.3466 40.6686 178.7628 9 L 3.9334 7.7581 119.4123 57.7249 41.3971 179.3813 10 L 3.7512 7.4109 119.1282 58.2354 42.0389 178.5610 11 N 4.4447 8.1381 115.5409 55.7204 38.5800 176.5005 12 E 4.2763 7.9513 117.8111 55.9767 30.2471 176.3853 13 S 4.3937 7.1166 115.0303 57.4766 63.2189 174.2022 14 R 4.0443 8.6202 126.9687 58.7904 30.4012 176.8984 15 L 4.6082 8.2976 120.3713 53.9507 45.7166 174.9114 16 T 5.3102 8.6966 122.8679 61.6737 71.6567 173.4693 17 V 4.8578 8.7158 125.3851 59.9787 34.9157 174.5441 18 T 5.0928 8.4300 111.4495 59.8484 72.1573 172.4681 19 L 5.1983 8.9253 125.6683 53.5612 44.9414 175.1771 20 T 5.0960 9.0365 116.5651 60.2348 72.2871 174.0433 21 G 4.2014 8.3840 110.8482 44.3878 0.0000 172.6015 22 A 3.9942 8.8067 120.5970 55.2841 18.4708 180.3946 23 G 3.6235 8.2664 102.0413 47.2355 0.0000 175.1297 24 I 3.9276 7.5731 119.5162 62.6881 38.3342 176.7068 25 S 4.7122 7.7125 114.2510 59.2193 64.3214 175.8850 26 T 4.3925 7.8928 114.4584 63.8727 68.0540 174.4198 27 P 4.3603 0.0000 0.0000 64.3633 31.4689 177.5204 28 S 4.6155 7.9393 112.7267 58.2042 63.0949 174.7117 29 G 3.8688 8.0484 110.3967 45.2480 0.0000 173.4027 30 I 4.1047 7.4241 121.1379 59.0205 37.6257 173.9079 31 P 4.3942 0.0000 0.0000 62.3337 31.6916 176.3410 32 D 4.2771 8.3649 120.1505 54.8107 41.6133 173.4892 33 F 3.8824 7.6444 125.7807 57.1770 39.0140 175.6952 *42 K 4.1479 8.3603 120.9856 54.4254 33.3138 175.2538 43 Y 4.7050 7.8980 117.5871 56.3818 39.1060 175.1149 44 S 3.9689 8.7320 119.3202 59.6815 62.7400 175.2977 45 Q 4.2923 8.4689 124.6588 55.5183 27.8611 173.4424 46 N 4.7859 7.5519 114.8159 54.0232 38.6377 177.5865 47 V 3.2275 6.6770 113.1496 63.6979 31.6407 177.0888 48 F 4.9747 7.9762 116.9422 57.4522 39.3384 174.4233 49 D 5.4164 8.2713 122.6139 53.2906 42.9352 177.3486 50 I 3.2884 8.8026 124.4308 64.0767 38.0671 178.1029 51 D 4.4971 8.1787 119.7299 56.3495 39.2854 178.2209 52 F 4.0785 8.2601 121.6984 60.8227 39.2599 176.6241 53 F 3.7766 7.8479 119.3462 61.6052 39.1503 176.5618 54 Y 4.0741 7.2477 114.4225 60.9428 37.6474 178.2735 55 S 4.1405 7.6540 115.5349 60.6352 64.4446 174.5928 56 H 4.9491 8.1185 117.1358 51.8188 29.3145 172.6039 57 P 3.8988 0.0000 0.0000 65.6395 31.0650 178.2832 58 E 4.2555 8.1021 117.0969 59.4149 29.4907 178.6587 59 E 4.1222 8.1286 119.7864 58.6976 29.7535 178.1285 60 F 4.1511 8.3332 120.9126 61.7907 39.0712 176.8661 61 Y 4.0786 8.3999 116.0882 60.7062 36.0932 178.5554 62 R 4.0167 8.0846 119.3664 59.1960 30.2016 178.6599 63 F 2.7737 7.7714 120.1254 60.7515 39.2127 176.9500 64 A 2.9323 7.3264 120.3875 54.5966 17.6751 179.7733 65 K 4.1646 7.1293 115.9823 59.1538 32.1236 178.6184 66 E 4.3764 7.0506 115.9123 57.5129 30.1192 177.8095 67 G 3.7588 7.4822 103.7871 44.4942 0.0000 174.3513 68 I 4.2819 6.4750 119.3846 63.0795 38.9513 177.7111 69 F 4.5911 7.8367 118.7453 60.2927 38.8275 175.9422 70 P 4.4176 0.0000 0.0000 65.3415 31.1015 178.2722 71 M 4.1678 8.2796 118.0140 58.1659 31.5654 178.4101 72 L 4.1637 7.9580 118.2174 57.1932 41.8206 178.5791 73 Q 4.2203 7.8668 116.0654 56.0007 29.3614 176.1850 74 A 4.1798 7.3627 123.4092 51.9039 19.0688 176.8661 75 K 4.6675 8.1559 120.3099 53.4383 34.7560 174.8237 76 P 4.2537 0.0000 0.0000 62.8492 31.9790 176.0467 77 N 4.9167 8.5749 118.1875 51.1345 41.0380 175.1485 78 L 3.9031 8.4454 120.1431 58.4373 41.9390 178.7843 79 A 3.9746 8.1707 120.6343 55.3182 18.2795 179.1826 80 H 4.1421 8.2801 114.2767 59.1763 28.7715 178.0079 81 V 3.6163 8.0245 119.9578 65.7698 31.2855 177.5684 82 L 3.9366 8.1770 120.3246 58.4266 41.8628 179.0872 83 L 4.0648 7.9383 118.0429 57.6679 41.5286 179.4017 84 A 4.0137 7.9170 120.5852 55.1352 18.3259 179.8783 85 K 3.9772 8.3312 117.1923 59.5389 32.0198 179.6548 86 L 4.0011 8.4005 119.7980 57.5487 41.4515 178.9716 87 E 4.1698 8.2786 120.7056 58.8321 29.3691 178.4910 88 E 3.9221 8.0066 117.6460 59.1882 29.7634 178.2050 89 K 4.2901 7.9370 115.7344 56.3824 32.3094 177.7919 90 G 3.9045 7.9521 107.6401 46.0355 0.0000 174.5363 91 L 4.4031 8.1404 119.6535 54.8091 42.0243 176.7239 92 I 4.8226 7.2620 111.3083 59.0146 40.7153 175.1844 93 E 4.2886 9.1416 122.9113 58.4523 30.6282 175.9648 94 A 4.6813 7.6145 117.8507 50.9498 23.0360 175.1849 95 V 4.6305 8.3391 119.8849 60.4591 33.8760 174.5328 96 I 4.7295 8.7879 129.7545 60.1286 38.9529 174.6708 97 T 4.9825 9.0134 122.1275 60.4674 70.2597 174.1011 98 Q 4.4150 8.9854 125.5772 56.3411 29.3998 175.4677 99 N 4.9289 8.1348 117.5062 52.0370 40.1736 175.3485 100 I 4.4844 8.5005 113.4744 60.1303 38.4248 176.5207 101 D 4.4848 7.9607 119.8742 53.8151 39.9821 176.8975 102 R 4.2962 8.0258 117.1951 56.6470 28.1697 177.8482 103 L 3.9706 8.3684 120.9917 57.8084 41.4048 179.1295 104 H 4.2441 8.0400 116.0508 58.9912 28.6007 177.6260 105 Q 4.0357 8.0440 119.3488 59.0624 28.4335 178.8583 106 R 3.9714 7.8975 117.6464 58.5976 30.1350 178.1909 107 A 4.3009 7.5515 118.7027 52.4176 18.8454 177.9882 108 G 4.0474 7.7662 104.7528 44.9744 0.0000 174.4490 109 S 4.4042 7.8063 116.6146 58.6675 63.2182 174.5399 110 K 4.1201 9.5112 124.8765 57.2230 32.7644 176.3564 111 K 4.4593 8.2593 120.3775 54.4994 33.9936 175.0602 112 V 4.8512 8.2421 126.8560 61.0863 34.4199 174.4150 113 I 4.2487 9.0448 129.4913 60.0325 38.7125 174.8957 114 E 4.7552 8.6275 128.1462 54.9089 29.3676 176.7218 115 L 4.1376 8.8113 124.6341 55.7238 42.3981 177.9061 116 A 4.4775 7.7197 120.8856 51.1396 20.3182 177.1142 117 G 3.8816 8.7252 106.4241 46.7907 0.0000 172.8867 118 N 5.0256 8.3929 118.3077 52.1906 40.1714 175.2171 119 V 4.0584 8.3448 111.7072 62.4773 32.2041 176.8808 120 E 4.6712 8.7216 119.6294 56.6838 31.5617 175.4930 121 E 5.2507 8.3806 119.0370 54.8514 32.2686 174.7666 122 Y 5.3091 9.3126 120.6903 56.8228 42.8616 173.7542 123 Y 5.5741 8.5988 117.6243 55.9417 42.1719 173.4997 124 C 4.8136 9.4381 122.7779 59.3952 32.0557 175.0442 125 V 3.8508 8.9331 127.0308 64.6789 31.2880 177.6536 126 R 4.1564 8.1749 119.9195 58.5380 29.9408 176.5858 127 C 4.4861 8.0317 110.1339 57.3679 30.6363 174.4134 128 E 4.4640 8.6084 118.8277 56.7757 27.3517 174.1037 129 K 4.0188 7.5476 121.1816 57.0796 33.0681 176.1581 130 K 4.9433 8.5726 126.4294 56.5535 33.2077 175.8400 131 Y 4.9223 9.2119 120.4811 56.6416 42.9450 174.8446 132 T 5.0240 9.0426 112.8194 60.5779 70.9608 176.1738 133 V 3.4900 8.7285 122.7262 65.2260 31.1998 178.4671 134 E 3.8357 8.0892 118.4872 58.8510 29.3827 178.5983 135 D 4.3612 8.2175 119.3142 57.4306 40.8906 179.0962 136 V 3.3076 7.3679 118.3757 65.7139 31.2193 177.9071 137 I 3.3054 7.2875 118.9454 64.2232 37.2814 177.9150 138 K 3.9962 7.8786 120.0507 59.5457 32.1697 178.9879 139 K 3.9174 8.0015 118.6787 59.3363 31.7242 178.8098 140 L 4.5884 7.5865 118.4429 55.8091 41.6962 178.4862 141 E 4.2420 7.8090 118.2819 57.9346 29.4951 177.2891 142 S 4.6635 7.6449 110.1067 57.4252 64.5224 173.4080 143 S 4.6135 7.4752 114.4887 57.2887 64.9851 174.2716 144 D 4.5688 8.5574 123.8858 55.0637 39.9043 176.9148 145 V 4.3763 7.2506 111.6270 58.5342 35.6849 172.7549 146 P 4.3930 0.0000 0.0000 62.4521 32.5582 174.8785 147 L 5.1246 8.0743 122.8448 52.4753 44.9206 175.8670 148 C 4.2381 8.9845 123.6307 59.9174 32.1122 174.4119 149 D 4.6104 9.5805 125.7917 56.3780 40.9514 177.2188 150 D 4.7023 8.2266 118.1861 55.7323 42.0068 176.7760 151 C 4.6687 7.4706 109.3077 56.7352 31.0694 174.0605 152 N 4.2023 8.3251 117.0888 54.6297 37.8416 173.8652 153 S 4.5978 7.3739 112.1984 57.3179 64.9840 173.1973 154 L 4.3491 8.4019 123.4698 55.5717 42.8892 175.5982 155 I 4.8411 8.5428 128.1455 60.5120 38.1691 175.4370 156 R 5.1909 8.7890 122.7600 52.4568 32.9563 173.2153 157 P 3.3050 0.0000 0.0000 61.4382 32.1732 176.4080 158 N 4.8911 8.4693 123.0865 53.7057 37.4493 174.2689 159 I 4.6297 7.1238 119.0568 59.5028 40.1751 177.5535 160 V 4.0501 8.2630 127.0217 62.3419 31.6216 175.8201 161 F 4.3620 9.5177 127.8165 56.5221 40.6188 175.6594 162 F 4.2754 8.8640 120.7011 59.5289 39.1451 176.7384 163 G 4.0911 9.3288 113.4093 45.2553 0.0000 173.2838 164 E 4.5933 7.6873 118.6786 54.7397 30.9334 175.9864 165 N 4.5357 8.4697 119.0368 53.1058 39.2780 175.4040 166 L 4.2154 8.2128 121.5368 53.4993 42.6883 175.8636 167 P 4.3214 0.0000 0.0000 63.3511 32.4582 177.4725 168 Q 3.9765 8.6385 121.3214 59.0309 28.8531 178.4746 169 D 4.3141 8.0205 119.1922 57.2549 40.8965 178.4458 170 A 3.9625 7.9096 120.7399 55.1542 18.3799 179.2720 171 L 3.8742 8.0451 118.8303 58.3353 42.0701 179.3756 172 R 3.9049 8.0930 118.0658 59.2269 29.9833 178.7016 173 E 3.8842 8.4036 118.9551 59.0232 29.5923 178.6365 174 A 3.9641 8.2883 121.2108 55.2809 18.4536 179.6810 175 I 3.7212 8.1559 118.7864 64.2910 37.1435 178.8009 176 G 3.6469 8.2759 106.7206 47.9917 0.0000 175.6795 177 L 4.0169 8.3128 122.4909 57.4777 41.4774 179.9228 178 S 4.1551 8.2919 115.4527 61.5087 62.5222 176.8529 179 S 4.1956 8.0721 116.1110 61.1454 62.9526 176.3211 180 R 4.0828 7.9013 120.6365 57.2391 30.3028 177.0208 181 A 4.2886 7.2340 121.7807 52.0256 19.0031 177.6477 182 S 4.4197 8.8038 117.2058 60.2043 64.8401 173.8788 183 L 5.0617 7.7117 122.8416 53.7514 45.4480 173.9566 184 M 5.0601 9.1541 126.6510 53.9132 34.7189 174.3543 185 I 4.8554 8.6453 126.9741 59.5847 40.0416 174.7297 186 V 4.3659 8.7520 128.8689 62.0319 33.0870 174.6879 187 L 4.7568 8.8946 128.2810 53.2750 44.6149 176.9008 188 G 3.5894 9.3461 113.8574 46.4002 0.0000 171.8253 189 S 4.9459 7.8888 113.2538 55.9379 64.4607 173.9904 190 S 4.3029 8.7460 120.9014 58.4513 63.6273 173.5627 191 L 3.6245 7.6054 120.0938 56.7918 39.1165 175.1864 192 V 4.4714 7.8423 108.4852 60.9170 33.9518 176.1479 193 V 4.4467 7.6418 120.8822 61.4273 32.6475 174.1247 194 Y 4.8249 8.6539 124.5928 55.9832 40.1843 174.4500 195 P 4.6900 0.0000 0.0000 63.6256 31.9308 177.7707 196 A 3.8912 7.9656 121.3085 55.5058 17.9562 179.2588 197 A 3.7117 7.4846 118.2299 54.6940 18.5818 178.6856 198 E 3.9770 7.7812 115.2735 56.7128 29.8611 178.3768 199 L 3.9035 7.6425 120.7735 57.2907 41.6662 177.3379 200 P 4.1416 0.0000 0.0000 65.4477 31.1442 178.2776 201 L 3.9060 7.4366 118.5299 58.1541 41.9974 178.9241 202 I 3.6800 7.7287 119.6685 64.5925 37.0068 178.4321 203 T 4.1735 7.7763 117.7967 66.1299 68.2015 176.7801 204 V 3.9324 7.7601 121.2921 65.7384 31.3762 178.3563 205 R 4.0150 8.1677 116.7100 58.9129 29.9655 178.4981 206 S 4.4485 7.7850 113.2952 58.4768 63.2020 174.2078 207 G 3.7522 7.2261 108.6621 45.0123 0.0000 174.2221 208 G 4.0163 8.3916 108.7612 45.4062 0.0000 173.1027 209 K 4.7304 8.9090 119.4619 54.6746 35.1180 175.6350 210 L 5.1658 8.3001 122.8026 53.3513 45.4272 174.9997 211 V 4.9823 8.8653 125.7672 61.1691 34.6591 173.9736 212 I 4.7992 8.7647 128.3103 59.4715 40.1619 174.5133 213 V 4.6026 8.5136 127.7123 61.4992 33.6225 173.8496 214 N 4.6224 8.5253 123.9109 52.3445 42.8019 174.4421 215 L 4.4620 8.4605 129.1538 51.7279 40.6521 175.4383 216 G 4.2901 6.8740 109.0976 44.4461 0.0000 170.3169 217 E 4.2968 8.2081 119.8727 56.3966 30.1658 176.8242 218 T 4.7581 8.7634 111.4398 59.1158 71.5378 173.2998 219 P 4.3221 0.0000 0.0000 64.2694 31.5899 177.1466 220 F 4.8263 7.9809 116.3767 57.1365 39.7829 176.9261 221 D 4.4727 8.0369 124.0763 57.4603 40.6727 178.5210 222 D 4.5020 8.1409 117.1230 55.0668 39.5446 176.6300 223 I 4.2928 7.6418 111.6526 60.3035 38.2931 175.5133 224 A 4.3704 7.6733 125.1507 52.4519 18.9693 177.9993 225 T 4.1887 8.9069 120.3940 66.0456 69.2589 175.3693 226 L 4.8215 7.9066 119.8027 52.6207 46.1103 175.5096 227 K 4.8555 8.5204 123.6376 54.8458 34.8931 174.6685 228 Y 4.3002 9.2764 126.0366 56.5103 39.5829 174.3777 229 N 5.6785 8.9060 124.8720 51.5435 38.0224 173.2776 230 M 4.5388 7.6340 120.3803 54.1603 34.5143 173.7724 231 D 4.4786 8.4209 118.1384 54.0853 42.2328 177.2720 232 V 3.6639 8.3422 125.0302 65.9175 31.5532 178.5882 233 V 3.6115 7.8270 117.8587 65.8192 31.4673 177.4700 234 E 3.9156 8.7840 119.3916 59.0128 29.3828 178.5126 235 F 3.9734 8.3304 120.5891 61.2714 39.4759 176.9174 236 A 3.7988 8.1612 120.3216 55.0807 18.1302 179.5521 237 R 3.7846 8.0049 117.2127 59.7080 30.0835 179.0658 238 R 3.8564 7.8529 117.8781 58.9939 30.0035 179.2066 239 V 3.3573 7.4654 118.2259 66.1627 31.5024 178.0523 240 M 4.0542 7.9347 118.3864 58.3338 31.5454 178.6606 241 E 3.9063 7.8921 117.6610 59.5280 29.7828 178.8877 242 E 4.3061 8.2914 117.2008 58.1860 29.8421 178.3191 243 G 3.9284 8.5521 103.8217 43.6243 0.0000 173.6310 244 G 3.9415 7.8928 108.0316 46.5262 0.0000 173.6499 245 I 4.2467 7.9577 119.9640 60.0805 38.5679 176.5636 246 S 4.2302 7.7825 117.9065 57.4818 63.2684 173.7093 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.47 0.00 2.18 2.49 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.63 0.00 2 K 8.67 3.99 0.00 1.83 1.82 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.65 7.81 3 M 8.82 4.53 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.68 0.00 4 K 8.20 3.86 0.00 1.86 1.88 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.68 1.58 7.81 5 E 8.32 4.02 0.00 2.26 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 0.00 2.45 2.48 0.00 6 F 8.42 4.28 0.00 3.38 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 7 L 8.35 3.75 0.00 1.85 1.67 0.94 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.30 4.29 0.00 2.83 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 9 L 7.76 3.93 0.00 1.73 1.65 1.00 0.57 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 10 L 7.41 3.75 0.00 0.93 1.50 0.89 1.14 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 11 N 8.14 4.44 0.00 2.71 2.82 0.00 0.00 7.07 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 12 E 7.95 4.28 0.00 1.97 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 2.29 2.33 0.00 13 S 7.12 4.39 0.00 3.84 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 14 R 8.62 4.04 0.00 1.83 1.96 0.00 3.23 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 15 L 8.30 4.61 0.00 1.66 1.45 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.70 5.31 4.39 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 1.23 0.00 0.00 17 V 8.72 4.86 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 0.75 0.00 0.00 0.96 0.00 0.00 18 T 8.43 5.09 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 1.25 0.00 0.00 19 L 8.93 5.20 0.00 1.67 1.46 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 20 T 9.04 5.10 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 1.22 0.00 0.00 21 G 8.38 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.81 3.99 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 23 G 8.27 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.57 3.93 1.82 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 1.18 0.74 0.99 0.00 0.00 25 S 7.71 4.71 0.00 3.88 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 26 T 7.89 4.39 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 27 P 0.00 4.36 0.00 2.03 2.15 0.00 3.72 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 2.00 2.15 0.00 28 S 7.94 4.62 0.00 4.01 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 29 G 8.05 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 30 I 7.42 4.10 1.84 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 1.40 1.28 0.90 0.00 0.00 31 P 0.00 4.39 0.00 0.84 1.60 0.00 3.44 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.89 0.00 32 D 8.36 4.28 0.00 2.59 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 33 F 7.64 3.88 0.00 3.30 3.09 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 *42 K 8.36 4.15 0.00 1.44 1.55 0.00 1.49 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.31 1.20 7.81 43 Y 7.90 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0.00 0.00 0.00 3.04 2.68 0.00 60 F 8.33 4.15 0.00 3.36 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 61 Y 8.40 4.08 0.00 3.19 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 62 R 8.08 4.02 0.00 2.19 2.25 0.00 3.27 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.90 0.00 63 F 7.77 2.77 0.00 2.06 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 64 A 7.33 2.93 0.41 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 0.00 0.00 65 K 7.13 4.16 0.00 1.73 1.97 0.00 1.90 0.00 0.00 2.11 0.00 0.00 3.38 0.00 0.00 3.45 0.00 0.00 0.00 0.00 1.79 1.69 7.81 66 E 7.05 4.38 0.00 1.92 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 2.35 2.66 0.00 67 G 7.48 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 6.48 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3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 77 N 8.57 4.92 0.00 3.01 3.03 0.00 0.00 5.74 6.67 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 78 L 8.45 3.90 0.00 1.77 1.72 0.91 0.94 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 79 A 8.17 3.97 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 80 H 8.28 4.14 0.00 3.38 3.36 0.00 5.82 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.02 3.62 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 1.08 0.00 0.00 1.02 0.00 0.00 82 L 8.18 3.94 0.00 1.87 1.86 0.93 0.85 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 83 L 7.94 4.06 0.00 1.96 1.73 0.98 0.54 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 84 A 7.92 4.01 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 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4.29 0.00 1.92 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 2.26 2.29 0.00 94 A 7.61 4.68 1.18 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 95 V 8.34 4.63 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 0.98 0.00 0.00 0.86 0.00 0.00 96 I 8.79 4.73 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 1.08 0.56 0.87 0.00 0.00 97 T 9.01 4.98 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 1.31 0.00 0.00 98 Q 8.99 4.42 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.52 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 99 N 8.13 4.93 0.00 2.63 2.89 0.00 0.00 6.85 6.73 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 0.00 100 I 8.50 4.48 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.30 0.83 0.00 0.00 101 D 7.96 4.48 0.00 2.79 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 0.00 102 R 8.03 4.30 0.00 2.04 2.07 0.00 3.74 0.00 0.00 3.46 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 103 L 8.37 3.97 0.00 1.43 1.18 0.86 1.25 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 0.00 104 H 8.04 4.24 0.00 3.18 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.04 4.04 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 106 R 7.90 3.97 0.00 1.89 1.98 0.00 3.13 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 107 A 7.55 4.30 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 0.00 108 G 7.77 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 7.81 4.40 0.00 4.07 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 0.00 110 K 9.51 4.12 0.00 1.83 1.86 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.37 7.81 111 K 8.26 4.46 0.00 1.86 1.66 0.00 1.45 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.37 7.81 112 V 8.24 4.85 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 0.88 0.00 0.00 0.93 0.00 0.00 113 I 9.04 4.25 1.84 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 1.21 0.43 0.90 0.00 0.00 114 E 8.63 4.76 0.00 1.90 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 2.32 2.32 0.00 115 L 8.81 4.14 0.00 1.59 1.67 0.87 0.45 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 0.00 116 A 7.72 4.48 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.73 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 0.00 118 N 8.39 5.03 0.00 2.79 3.03 0.00 0.00 6.89 8.48 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 0.00 119 V 8.34 4.06 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 0.82 0.00 0.00 1.06 0.00 0.00 120 E 8.72 4.67 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 121 E 8.38 5.25 0.00 1.97 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 2.39 2.39 0.00 122 Y 9.31 5.31 0.00 3.17 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 0.00 123 Y 8.60 5.57 0.00 3.25 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 C 9.44 4.81 0.00 3.26 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 0.00 125 V 8.93 3.85 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 0.86 0.00 0.00 1.13 0.00 0.00 126 R 8.17 4.16 0.00 1.82 2.04 0.00 3.29 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 127 C 8.03 4.49 0.00 3.18 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 0.00 128 E 8.61 4.46 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 129 K 7.55 4.02 0.00 1.77 1.91 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.15 1.35 7.81 130 K 8.57 4.94 0.00 1.66 1.76 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.51 1.50 7.81 131 Y 9.21 4.92 0.00 2.98 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 0.00 132 T 9.04 5.02 4.31 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 1.26 0.00 0.00 133 V 8.73 3.49 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 1.03 0.00 0.00 1.10 0.00 0.00 134 E 8.09 3.84 0.00 2.00 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 2.32 2.36 0.00 135 D 8.22 4.36 0.00 3.00 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 0.00 136 V 7.37 3.31 1.49 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 0.62 0.00 0.00 0.41 0.00 0.00 137 I 7.29 3.31 1.70 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 -0.36 0.71 0.00 0.00 138 K 7.88 4.00 0.00 1.77 1.91 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.43 7.81 139 K 8.00 3.92 0.00 1.80 1.69 0.00 1.41 0.00 0.00 1.42 0.00 0.00 2.87 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.36 1.53 7.81 140 L 7.59 4.59 0.00 1.71 1.71 0.99 0.63 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 0.00 141 E 7.81 4.24 0.00 2.09 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 2.32 2.47 0.00 142 S 7.64 4.66 0.00 3.92 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 0.00 143 S 7.48 4.61 0.00 3.78 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 0.00 144 D 8.56 4.57 0.00 2.87 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 0.00 145 V 7.25 4.38 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 0.87 0.00 0.00 0.91 0.00 0.00 146 P 0.00 4.39 0.00 1.81 1.81 0.00 3.25 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.35 0.00 147 L 8.07 5.12 0.00 1.45 1.54 0.95 0.91 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 0.00 148 C 8.98 4.24 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 D 9.58 4.61 0.00 2.83 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 0.00 150 D 8.23 4.70 0.00 2.72 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 0.00 151 C 7.47 4.67 0.00 3.07 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 0.00 152 N 8.33 4.20 0.00 2.89 2.94 0.00 0.00 7.14 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 0.00 153 S 7.37 4.60 0.00 3.99 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 0.00 154 L 8.40 4.35 0.00 1.81 1.63 1.02 0.80 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 0.00 155 I 8.54 4.84 1.86 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.58 0.99 0.00 0.00 156 R 8.79 5.19 0.00 1.33 2.12 0.00 2.94 0.00 0.00 3.09 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 157 P 0.00 3.31 0.00 1.64 1.54 0.00 2.88 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.24 0.00 158 N 8.47 4.89 0.00 3.02 2.82 0.00 0.00 7.05 7.50 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 0.00 159 I 7.12 4.63 1.38 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 1.11 0.72 0.43 0.00 0.00 160 V 8.26 4.05 1.93 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 0.67 0.00 0.00 0.91 0.00 0.00 161 F 9.52 4.36 0.00 2.87 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 0.00 162 F 8.86 4.28 0.00 3.47 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 0.00 163 G 9.33 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 0.00 0.00 0.00 164 E 7.69 4.59 0.00 2.18 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 2.38 0.00 165 N 8.47 4.54 0.00 2.72 2.77 0.00 0.00 7.00 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 0.00 166 L 8.21 4.22 0.00 1.61 1.59 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 167 P 0.00 4.32 0.00 2.24 2.18 0.00 3.67 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 2.05 2.04 0.00 168 Q 8.64 3.98 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 169 D 8.02 4.31 0.00 2.67 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 0.00 170 A 7.91 3.96 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 0.00 171 L 8.05 3.87 0.00 1.76 1.67 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 172 R 8.09 3.90 0.00 2.17 1.96 0.00 3.52 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 173 E 8.40 3.88 0.00 2.11 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 2.29 2.31 0.00 174 A 8.29 3.96 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 0.00 175 I 8.16 3.72 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.73 0.90 0.00 0.00 176 G 8.28 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 0.00 177 L 8.31 4.02 0.00 1.83 1.71 0.90 0.72 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 0.00 178 S 8.29 4.16 0.00 3.94 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 0.00 179 S 8.07 4.20 0.00 4.02 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 0.00 180 R 7.90 4.08 0.00 1.81 2.02 0.00 3.16 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 181 A 7.23 4.29 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 0.00 182 S 8.80 4.42 0.00 3.92 4.12 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 0.00 183 L 7.71 5.06 0.00 1.72 1.48 0.99 0.77 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 0.00 184 M 9.15 5.06 0.00 2.14 1.86 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 2.48 2.48 0.00 185 I 8.65 4.86 1.94 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.79 0.95 0.00 0.00 186 V 8.75 4.37 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 0.89 0.00 0.00 0.87 0.00 0.00 187 L 8.89 4.76 0.00 1.56 1.46 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 188 G 9.35 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 0.00 189 S 7.89 4.95 0.00 3.77 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 8.75 4.30 0.00 4.04 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 L 7.61 3.62 0.00 2.07 1.92 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 192 V 7.84 4.47 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 0.78 0.00 0.00 0.99 0.00 0.00 193 V 7.64 4.45 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 1.17 0.00 0.00 1.13 0.00 0.00 194 Y 8.65 4.82 0.00 3.02 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 0.00 195 P 0.00 4.69 0.00 2.29 2.37 0.00 3.74 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 2.06 2.06 0.00 196 A 7.97 3.89 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 0.00 197 A 7.48 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 E 7.78 3.98 0.00 2.15 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 2.45 2.48 0.00 199 L 7.64 3.90 0.00 1.57 1.62 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 200 P 0.00 4.14 0.00 1.81 1.97 0.00 3.26 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.98 0.00 201 L 7.44 3.91 0.00 1.56 1.77 1.04 1.15 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 0.00 202 I 7.73 3.68 1.99 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 1.51 0.49 0.89 0.00 0.00 203 T 7.78 4.17 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 204 V 7.76 3.93 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 1.34 0.00 0.00 1.05 0.00 0.00 205 R 8.17 4.02 0.00 1.81 1.99 0.00 3.39 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.84 0.00 206 S 7.78 4.45 0.00 3.98 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 0.00 207 G 7.23 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 0.00 208 G 8.39 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 0.00 0.00 0.00 209 K 8.91 4.73 0.00 1.70 1.74 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.37 7.81 210 L 8.30 5.17 0.00 1.72 1.48 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 211 V 8.87 4.98 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.20 0.00 0.00 212 I 8.76 4.80 1.88 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 1.11 0.58 0.90 0.00 0.00 213 V 8.51 4.60 1.60 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 0.19 0.00 0.00 -0.48 0.00 0.00 214 N 8.53 4.62 0.00 2.73 2.55 0.00 0.00 6.44 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 0.00 215 L 8.46 4.46 0.00 1.62 1.58 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 216 G 6.87 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 E 8.21 4.30 0.00 1.97 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 2.31 2.29 0.00 218 T 8.76 4.76 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 1.27 0.00 0.00 219 P 0.00 4.32 0.00 1.46 1.91 0.00 3.76 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 2.17 2.07 0.00 220 F 7.98 4.83 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.04 4.47 0.00 2.68 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 0.00 222 D 8.14 4.50 0.00 2.78 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 0.00 223 I 7.64 4.29 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.84 0.99 0.00 0.00 224 A 7.67 4.37 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 0.00 225 T 8.91 4.19 4.40 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 1.25 0.00 0.00 226 L 7.91 4.82 0.00 1.74 1.54 1.24 0.89 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 0.00 227 K 8.52 4.86 0.00 1.67 1.58 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.44 7.81 228 Y 9.28 4.30 0.00 2.60 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 0.00 229 N 8.91 5.68 0.00 2.72 2.75 0.00 0.00 7.19 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 0.00 230 M 7.63 4.54 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 231 D 8.42 4.48 0.00 2.78 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 V 8.34 3.66 2.05 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 0.94 0.00 0.00 0.86 0.00 0.00 233 V 7.83 3.61 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 0.97 0.00 0.00 0.95 0.00 0.00 234 E 8.78 3.92 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 235 F 8.33 3.97 0.00 3.04 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 A 8.16 3.80 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 0.00 237 R 8.00 3.78 0.00 1.96 2.03 0.00 3.08 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 238 R 7.85 3.86 0.00 1.76 1.81 0.00 3.30 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 239 V 7.47 3.36 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 0.88 0.00 0.00 -0.08 0.00 0.00 240 M 7.93 4.05 0.00 2.21 2.17 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 2.66 2.55 0.00 241 E 7.89 3.91 0.00 2.05 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 2.46 2.46 0.00 242 E 8.29 4.31 0.00 1.96 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 2.40 2.44 0.00 243 G 8.55 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 0.00 244 G 7.89 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 245 I 7.96 4.25 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.77 0.91 0.00 0.00 246 S 7.78 4.23 0.00 4.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.