NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.5374 8.3293 119.1551 54.3361 29.8646 174.6187 2 P 4.6213 0.0000 0.0000 60.9337 32.7497 174.2232 3 D 3.8739 8.3081 119.4878 53.9198 42.0253 176.4892 4 P 4.6519 0.0000 0.0000 62.3878 32.3133 176.2430 5 K 4.4396 8.3919 120.7172 52.4725 33.5798 178.4433 6 L 3.9510 8.5219 123.4576 58.3303 42.1374 179.3323 7 D 4.3836 8.0770 116.5906 55.7754 39.5760 176.6479 8 E 4.3577 8.5140 116.7586 56.3759 30.3653 175.9892 9 L 4.7367 7.2779 120.0712 54.0445 42.4627 176.5145 10 N 4.6069 10.1076 120.8967 53.3510 39.3657 174.4012 11 K 4.7604 8.4045 121.4204 54.8181 34.8592 178.0953 12 V 3.6281 8.7270 124.0755 66.1093 31.5481 178.6446 13 S 4.1535 8.5881 114.1901 61.7236 62.6780 176.2850 14 D 4.4400 7.8981 120.9143 56.8998 40.4088 178.1938 15 Y 4.1549 7.9152 120.5271 60.5533 38.8145 177.6057 16 K 4.0034 8.1144 120.0922 59.7276 32.1594 178.4702 17 S 4.1621 7.9234 114.2214 61.5617 62.7493 175.2741 18 N 4.6775 7.6341 116.8043 53.0304 38.8043 174.6993 19 K 3.7979 8.0074 116.0646 56.9468 30.0822 175.9899 20 G 2.9779 7.6433 107.0546 44.3895 0.0000 174.7581 21 T 4.2629 7.8266 118.4346 61.5468 69.1120 175.1391 22 M 4.2540 8.6855 127.2524 57.8321 32.1207 177.8600 23 G 3.2650 7.5586 105.3323 47.9099 0.0000 175.2021 24 N 4.0647 7.4965 118.0096 56.0164 38.6605 177.2403 25 V 3.0214 6.8544 119.0791 65.4916 31.7553 177.4193 26 M 4.1151 7.7363 117.9662 59.0145 32.0685 178.0001 27 N 4.4452 8.3184 116.5447 56.2642 38.4105 177.4419 28 L 3.9720 7.3371 119.3913 57.5526 41.9113 178.2737 29 Y 4.6339 7.8067 113.9662 58.9538 38.1415 176.6644 30 M 4.4714 7.9143 118.7837 55.7478 33.6014 176.8499 31 S 4.5583 7.5614 114.3458 57.1205 63.7749 172.3879 32 P 4.5221 0.0000 0.0000 62.5433 31.5630 174.1004 33 P 4.3329 0.0000 0.0000 61.4587 33.3260 175.2675 34 V 3.8881 7.9972 121.3056 62.8054 32.5493 174.7146 35 E 4.9968 8.6406 126.4365 54.6874 32.8616 175.0230 36 G 4.2875 9.3426 111.2019 44.6733 0.0000 171.3815 37 R 4.9229 8.2234 120.0296 54.6561 33.1824 175.5538 38 G 3.9292 9.6205 113.9605 46.2159 0.0000 172.7723 39 V 4.6925 8.6767 114.6705 59.9696 36.3407 175.0646 40 I 5.1948 8.1511 121.6170 59.0655 40.3048 175.5399 41 N 3.5819 8.4206 122.0241 52.7159 37.5379 175.2495 42 S 4.2745 8.3038 116.5554 60.4899 64.1130 173.7661 43 R 4.3838 6.9005 114.5967 56.0824 31.5426 172.8541 44 Q 4.7503 8.4027 114.9502 54.8496 32.2603 173.3712 45 F 4.7921 8.6343 119.9760 58.7517 40.9526 176.3260 46 L 4.4054 8.6387 119.6782 52.6530 43.6056 177.9043 47 S 4.2540 8.4395 114.0503 60.4456 63.4708 174.5817 48 H 4.9165 8.1486 116.5339 55.0077 28.5802 172.9151 49 D 5.3070 7.5788 118.0053 52.1466 42.7686 174.6886 50 L 4.7818 8.8983 118.1708 53.1315 46.3606 175.4806 51 I 4.8611 8.3907 123.6538 59.6896 39.4907 174.6512 52 F 5.0662 9.5149 125.9319 54.1633 42.0835 174.2694 53 P 4.7792 0.0000 0.0000 62.4869 30.9712 175.8336 54 I 4.4112 7.4103 117.1984 60.0028 40.1804 173.7108 55 E 4.6343 8.5718 127.4156 55.2664 30.6595 174.8904 56 Y 4.6078 8.8131 126.3202 56.5784 42.0874 175.4364 57 K 3.4426 7.7879 128.6583 58.1231 31.6029 176.0155 58 S 4.4037 8.7312 123.1444 59.7898 62.5996 172.8612 59 Y 4.6496 8.5877 119.7607 56.7035 39.3645 175.9837 60 N 5.0859 8.7885 118.2637 53.2204 39.9747 174.2522 61 E 5.1090 7.9305 116.3586 54.8997 34.2250 174.8330 62 V 4.5254 8.8598 121.0639 61.2698 35.6423 173.5367 63 K 4.9264 8.7883 129.1097 54.9433 34.2801 174.4278 64 T 4.9064 8.9795 122.5581 60.1884 70.2542 172.0168 65 E 4.7509 9.0081 129.8009 54.6515 30.2435 174.6101 66 L 5.1643 8.9512 126.4567 52.8393 44.1877 177.0881 67 E 4.2051 8.7629 123.0873 59.5087 29.9695 177.0565 68 N 4.9054 7.6137 113.3923 50.9207 41.7232 175.4265 69 T 4.0837 8.4046 116.9037 66.7841 68.3039 176.7596 70 E 3.9470 8.1943 120.1027 59.3378 29.3543 178.9471 71 L 3.9791 8.5246 119.4997 57.9297 42.4347 178.6720 72 A 4.2721 7.9055 120.3178 55.4571 18.1096 179.3138 73 N 4.3210 8.4552 115.1822 56.5541 38.3160 177.0709 74 N 4.0613 7.8262 117.7411 55.9979 39.2816 175.4638 75 Y 4.7020 7.9789 116.6839 57.1568 39.5322 175.7850 76 K 3.9817 7.2089 120.6466 57.9033 32.5604 177.0579 77 G 3.9552 8.7414 111.9700 45.9611 0.0000 173.2162 78 K 4.7271 7.7011 118.4408 54.3708 34.5420 176.1778 79 K 4.5022 8.6184 124.4066 56.7786 33.3934 176.2139 80 V 5.1444 9.2053 120.0529 60.2531 37.0128 173.5940 81 D 5.3665 9.0659 120.6504 52.8042 44.2077 175.8603 82 I 4.6988 8.4201 121.3971 59.6193 40.9831 174.8896 83 F 5.1745 8.4282 128.5697 57.7767 42.4297 173.1480 84 G 3.9420 7.8918 112.3072 45.3282 0.0000 170.6156 85 V 4.4353 8.7931 121.2070 60.8035 31.9692 173.8672 86 P 4.8309 0.0000 0.0000 62.0734 33.2184 174.1862 87 Y 4.5465 7.7071 117.4762 55.8091 41.5138 175.6483 88 F 4.5490 8.8255 115.9054 58.0985 41.8943 174.9350 89 Y 4.7331 8.4427 122.0586 58.9087 38.8143 175.5358 90 T 3.4008 8.9032 116.4126 61.6005 67.4476 172.0432 91 C 4.3951 8.1437 123.1419 56.5640 43.7064 172.4032 92 I 4.6449 8.2952 127.7668 59.6736 39.3592 175.4369 93 I 4.2207 8.4254 128.2831 58.0734 39.1135 173.4289 94 P 4.1861 0.0000 0.0000 62.3967 31.5594 176.8279 95 K 4.1330 8.5952 124.2543 57.0244 32.6811 178.1398 96 S 4.3353 8.5602 119.3910 61.1676 64.1416 178.0127 97 E 4.2311 8.7265 114.5671 57.6220 28.2112 182.2304 98 P 4.8997 0.0000 0.0000 61.6870 32.8181 176.0337 *104 F 4.5373 7.9026 119.4135 56.6650 39.6488 176.5864 105 G 4.2832 8.6035 105.3133 48.2596 0.0000 173.4242 106 G 3.9983 7.6762 106.7893 45.4257 0.0000 171.1802 107 C 4.2411 7.8617 119.1483 57.5205 33.7859 174.4165 108 C 5.2922 7.4997 122.8319 55.4384 40.6120 172.3771 109 M 4.8527 7.9289 116.4123 55.3966 34.4931 172.8066 110 Y 4.9391 8.7406 116.1527 55.9502 40.9348 178.8263 111 G 3.6659 9.9983 111.3106 46.3704 0.0000 174.9686 112 G 3.8361 8.6873 113.6265 45.9162 0.0000 171.7656 113 L 4.9721 7.1508 118.4276 53.2123 43.6037 175.7924 114 T 4.5440 7.8571 110.3947 60.2015 72.7000 172.7633 115 F 4.9076 8.5261 121.3535 57.2720 39.9521 174.9307 116 N 4.8511 8.7506 124.6309 53.8607 39.5627 175.2040 117 S 4.5039 8.3524 122.9376 57.5902 66.1041 171.2947 118 S 4.3134 8.7663 116.9503 59.8710 61.7040 170.3909 119 E 4.0104 8.9887 125.3374 56.1885 29.7129 173.7966 120 N 4.2493 8.5819 121.5219 51.5575 41.0012 171.4041 *122 R 4.1930 8.5879 121.0247 55.0102 30.9654 172.4472 123 D 4.7570 8.6085 122.5091 53.4119 42.2116 175.6814 124 K 4.6904 8.9609 120.1685 54.7463 34.9610 175.3058 125 L 5.1730 8.4518 122.9500 53.0453 44.5476 175.8363 126 I 4.4711 8.4633 122.8156 59.7727 40.8375 174.6853 127 T 4.4845 8.3149 123.5593 62.1870 69.2320 174.4781 128 V 3.5027 7.7041 128.3878 62.1041 32.7652 174.8104 129 Q 4.2249 8.4905 127.6138 54.9145 30.2692 174.8519 130 V 4.6107 8.4767 123.9614 61.2294 34.6526 174.3158 131 T 4.9708 8.6202 123.7214 61.8029 72.2814 172.6719 132 I 4.6739 8.7166 127.3441 60.2699 39.8334 175.8925 133 D 4.5136 9.7390 127.4277 56.4301 39.0073 173.4154 134 N 4.2890 8.5039 113.1831 54.7676 36.8706 175.4602 135 R 4.4637 8.4442 115.4305 57.5418 31.6655 179.8680 136 Q 4.7040 7.8132 117.8439 54.2966 30.8274 174.6640 137 S 5.2097 8.5979 119.0036 56.9346 65.4167 173.2372 138 L 4.9037 8.8843 122.9352 53.6159 46.5640 175.2178 139 G 4.4895 8.4352 104.8767 46.7261 0.0000 172.2681 140 F 4.8847 7.6484 115.6586 55.6835 41.3850 172.5767 141 T 4.9779 8.2532 108.8032 59.7175 71.3419 173.0990 142 I 4.9272 8.3547 116.3074 59.4438 41.3489 174.0682 143 T 5.2238 8.2699 111.4493 60.7668 72.0644 172.8461 144 T 4.6074 8.3508 115.3185 61.3390 70.7714 173.8602 145 N 4.4770 8.8918 125.0660 54.7186 39.6328 175.2681 146 K 4.2666 7.5463 117.9298 56.5178 32.9365 176.7376 147 N 4.5284 8.9606 121.3295 55.8763 39.9294 174.4956 148 M 5.0427 8.0685 118.8803 53.6321 33.5487 176.0309 149 V 4.6288 8.7894 124.3137 59.5683 34.7320 175.7728 150 T 4.5008 8.2998 112.5548 61.3971 69.7141 175.6176 151 I 3.5614 8.5459 124.7147 64.3615 36.8720 178.7472 152 Q 3.6766 7.9839 120.2132 58.9087 28.8872 177.5852 153 E 3.6348 8.1211 120.2607 59.3234 29.6101 178.8210 154 L 4.0524 7.5493 118.4247 57.8000 41.5959 179.1051 155 D 4.6824 8.7790 118.4080 57.5525 41.2916 177.5053 156 Y 4.5061 8.6165 120.3518 61.0524 39.0211 178.2482 157 K 4.1366 8.5196 119.1106 59.4267 32.1514 179.2140 158 A 4.3834 8.3546 120.8905 55.6218 18.4046 180.0454 159 R 3.8810 8.4063 116.7539 59.3084 30.0035 178.8888 160 H 4.3829 8.5634 120.0779 58.3923 29.8197 177.1239 161 W 3.8458 8.0855 129.5722 60.5514 30.5944 178.0251 162 L 3.9497 8.0528 118.7560 57.7697 40.4676 179.8373 163 T 3.9327 7.9914 116.1141 66.4516 68.3094 176.9511 164 K 3.8613 7.6936 120.1863 58.9972 32.2618 177.9441 165 E 3.9926 7.8988 117.3918 56.5747 29.9043 177.0690 166 K 4.4327 7.1163 115.3453 55.1327 33.2964 175.8806 167 K 3.8388 7.7308 116.2261 56.8570 30.2357 177.5638 168 L 4.1208 8.3710 121.2032 57.7949 42.0120 176.5675 169 Y 5.0138 7.6504 113.6605 56.1627 41.0782 174.4448 170 E 4.8909 9.0920 123.1661 53.9331 33.2290 176.8957 171 F 3.9887 9.0459 121.5523 61.0085 39.3677 175.2680 172 D 5.0404 8.2622 116.3911 52.7620 42.5302 176.3340 173 G 4.2104 7.2417 106.1936 45.8445 0.0000 172.8913 174 S 4.7584 8.3291 118.1019 57.4820 65.0314 174.4205 175 A 4.0255 8.1842 125.2290 52.6277 18.3685 176.7873 176 F 4.9835 7.7574 113.6571 55.5845 42.9371 173.9745 177 E 4.5504 9.2661 121.4566 57.7421 31.8307 175.3724 178 S 4.6941 7.0788 111.7945 56.8963 66.7383 173.7095 179 G 4.7205 8.5735 108.5977 47.0164 0.0000 170.7812 180 Y 5.5910 8.1627 117.1421 55.8209 42.0957 173.3673 181 I 4.7180 8.9693 120.6913 59.0756 40.8633 173.9293 182 K 5.1815 9.3312 130.6917 54.6699 35.1681 174.4303 183 F 4.9790 8.6966 125.7569 55.9120 41.9934 174.7733 184 T 4.9458 8.7398 118.8700 61.9922 71.8474 174.1192 185 E 4.7154 9.1039 129.1095 55.3892 31.2231 177.4106 186 K 4.0510 8.8097 121.3118 58.1582 31.5058 177.5866 187 N 4.4187 8.2588 116.6880 53.4634 36.9538 175.8495 188 N 4.2506 8.0716 113.3443 53.6694 36.3734 177.3766 189 T 4.4829 7.7736 108.4554 62.2517 69.9866 174.0324 190 S 5.1216 8.2738 116.5669 57.3423 66.2102 172.6385 191 F 5.2964 8.0115 114.9520 55.7091 41.3679 172.6943 192 W 5.7924 8.1610 115.8676 54.9934 32.0185 174.0638 193 F 5.3270 9.4436 117.8271 55.6920 42.3752 174.1648 194 D 5.2887 9.2179 123.7071 54.5568 41.2994 176.1265 195 L 4.3375 9.1371 125.6193 56.2085 42.0686 177.0071 196 F 5.2338 8.7557 117.5368 54.4781 41.9999 173.3926 197 P 4.6739 0.0000 0.0000 62.8334 32.0298 177.2034 198 K 4.4204 8.9141 121.7103 53.8569 32.1820 177.8584 199 K 4.3105 8.8450 121.7791 59.3344 32.4782 177.8890 200 E 4.2086 8.1774 117.4232 57.9815 29.9921 177.3262 201 L 4.3655 7.8955 122.4692 53.6517 40.1708 174.7192 202 V 4.3836 7.4442 118.7868 59.9033 34.4360 172.9195 203 P 4.5129 0.0000 0.0000 62.0944 31.9436 175.5637 204 F 4.1883 8.7656 121.5201 58.1529 39.6853 174.5115 205 V 3.8931 7.4906 128.2939 59.9682 31.9822 173.6482 206 P 3.7476 0.0000 0.0000 65.8311 30.8021 177.5512 207 Y 4.4541 7.1435 113.4475 57.7477 38.0250 176.3611 208 K 4.3198 7.4162 119.0435 56.1933 33.0500 176.1846 209 F 4.4176 7.3588 119.2399 59.7671 41.2594 176.6784 210 L 4.0334 7.9966 117.2247 55.9683 41.6860 178.3860 211 N 3.1400 7.4631 117.3921 54.3040 36.7688 176.1777 212 I 3.5462 6.7855 114.0943 62.6650 37.9543 176.2148 213 Y 4.8341 7.5235 118.3827 58.3867 38.3081 177.4570 214 G 3.8889 7.8815 108.1105 47.5438 0.0000 174.9418 215 D 4.4473 8.1021 118.2759 53.8442 39.9195 175.2405 216 N 4.0956 8.0077 118.1653 54.1730 38.0896 174.0817 217 K 4.0965 8.0972 117.9918 56.5962 33.6711 175.6174 218 V 4.8624 8.4056 126.4766 61.3011 34.2793 174.5402 219 V 4.6344 8.9263 119.7581 59.3769 36.9363 173.8769 220 D 5.1347 8.5498 121.4979 53.7334 41.2588 177.0009 221 S 4.2656 8.9531 122.5195 61.3071 63.0344 176.1749 222 K 4.1801 8.5163 118.9760 58.1811 32.0647 177.2882 223 S 4.7119 7.2995 110.6933 57.6510 64.6820 174.8165 224 I 3.8453 7.8102 121.2051 61.4044 38.5238 174.7903 225 K 4.6333 8.9854 129.0435 54.8326 35.0778 174.5518 226 M 4.8014 8.2910 125.1776 53.4593 35.8634 174.1459 227 E 4.7308 8.7761 122.0189 54.3714 34.2069 174.6212 228 V 4.4452 8.7830 124.4485 60.8665 34.7085 174.0883 229 F 5.0241 8.4987 125.7374 55.5314 41.9571 174.1340 230 L 5.1354 8.8452 123.1679 52.8391 45.6869 175.1752 231 N 5.6056 9.1163 119.6294 51.7199 41.6778 174.8149 232 T 4.6651 9.0508 114.5957 60.7704 70.7700 174.4646 233 H 4.3514 8.5917 120.1355 56.5155 29.9519 174.6704 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 Q 8.33 4.54 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 2 P 0.00 4.62 0.00 2.26 2.10 0.00 3.87 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 2.03 2.09 0.00 3 D 8.31 3.87 0.00 2.49 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.65 0.00 1.42 0.64 0.00 2.20 0.00 0.00 2.05 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 5 K 8.39 4.44 0.00 1.70 1.70 0.00 1.85 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.22 7.81 6 L 8.52 3.95 0.00 1.70 1.71 0.94 1.14 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 7 D 8.08 4.38 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 8 E 8.51 4.36 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.21 0.00 9 L 7.28 4.74 0.00 1.73 1.77 1.03 0.73 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 10 N 10.11 4.61 0.00 3.22 3.02 0.00 0.00 6.90 6.56 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 11 K 8.40 4.76 0.00 1.98 1.72 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.50 1.44 7.81 12 V 8.73 3.63 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.20 0.00 0.00 13 S 8.59 4.15 0.00 4.10 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 14 D 7.90 4.44 0.00 3.01 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 15 Y 7.92 4.15 0.00 3.04 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 16 K 8.11 4.00 0.00 1.90 1.81 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.50 1.53 7.81 17 S 7.92 4.16 0.00 4.07 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 18 N 7.63 4.68 0.00 2.80 2.69 0.00 0.00 7.29 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.01 3.80 0.00 1.86 1.85 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.33 7.81 20 G 7.64 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 0.00 0.00 0.00 21 T 7.83 4.26 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 0.66 0.00 0.00 22 M 8.69 4.25 0.00 2.40 2.23 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 3.14 0.00 23 G 7.56 3.26 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 0.00 24 N 7.50 4.06 0.00 2.06 2.13 0.00 0.00 6.97 7.83 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 25 V 6.85 3.02 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 -0.09 0.00 0.00 -0.08 0.00 0.00 26 M 7.74 4.12 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.70 0.00 27 N 8.32 4.45 0.00 2.89 2.91 0.00 0.00 7.07 7.35 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 28 L 7.34 3.97 0.00 1.24 1.30 0.87 1.31 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 29 Y 7.81 4.63 0.00 3.22 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 30 M 7.91 4.47 0.00 2.12 2.32 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 2.64 2.92 0.00 31 S 7.56 4.56 0.00 4.15 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.52 0.00 2.24 2.12 0.00 3.91 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.95 0.00 33 P 0.00 4.33 0.00 0.75 0.57 0.00 3.69 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.47 0.00 34 V 8.00 3.89 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.31 0.00 0.00 35 E 8.64 5.00 0.00 1.71 1.75 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 1.76 1.75 0.00 36 G 9.34 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 37 R 8.22 4.92 0.00 1.67 1.83 0.00 3.40 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 38 G 9.62 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 39 V 8.68 4.69 2.28 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 0.83 0.00 0.00 0.95 0.00 0.00 40 I 8.15 5.19 1.92 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 1.72 0.70 0.93 0.00 0.00 41 N 8.42 3.58 0.00 2.15 1.61 0.00 0.00 6.12 7.64 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 42 S 8.30 4.27 0.00 3.96 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 43 R 6.90 4.38 0.00 1.92 2.02 0.00 2.88 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 44 Q 8.40 4.75 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 45 F 8.63 4.79 0.00 2.80 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.64 4.41 0.00 1.50 1.35 0.61 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.44 4.25 0.00 3.97 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 H 8.15 4.92 0.00 3.49 3.51 0.00 5.40 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.58 5.31 0.00 2.69 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.90 4.78 0.00 1.73 1.24 1.11 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.39 4.86 1.89 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 0.67 0.88 0.00 0.00 52 F 9.51 5.07 0.00 2.91 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 53 P 0.00 4.78 0.00 2.22 2.13 0.00 3.96 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 54 I 7.41 4.41 1.90 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 1.27 0.81 0.93 0.00 0.00 55 E 8.57 4.63 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 56 Y 8.81 4.61 0.00 3.05 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 57 K 7.79 3.44 0.00 1.81 0.87 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.89 0.21 7.81 58 S 8.73 4.40 0.00 3.50 3.63 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 59 Y 8.59 4.65 0.00 3.39 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 60 N 8.79 5.09 0.00 2.70 2.85 0.00 0.00 6.73 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 61 E 7.93 5.11 0.00 1.84 1.81 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 2.39 2.32 0.00 62 V 8.86 4.53 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 0.73 0.00 0.00 0.96 0.00 0.00 63 K 8.79 4.93 0.00 1.79 1.49 0.00 1.71 0.00 0.00 1.54 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.25 1.33 7.81 64 T 8.98 4.91 4.15 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 1.35 0.00 0.00 65 E 9.01 4.75 0.00 1.79 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 2.36 2.21 0.00 66 L 8.95 5.16 0.00 1.81 1.64 1.10 0.72 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 67 E 8.76 4.21 0.00 1.97 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 2.33 2.27 0.00 68 N 7.61 4.91 0.00 2.99 2.85 0.00 0.00 6.97 7.10 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 69 T 8.40 4.08 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 1.27 0.00 0.00 70 E 8.19 3.95 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 71 L 8.52 3.98 0.00 1.72 1.97 1.06 1.12 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 72 A 7.91 4.27 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.46 4.32 0.00 2.88 2.90 0.00 0.00 6.73 7.75 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 74 N 7.83 4.06 0.00 2.54 2.59 0.00 0.00 7.09 7.41 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 75 Y 7.98 4.70 0.00 3.12 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 76 K 7.21 3.98 0.00 1.93 1.91 0.00 1.93 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.40 7.81 77 G 8.74 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 78 K 7.70 4.73 0.00 2.14 2.00 0.00 2.19 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.69 7.81 79 K 8.62 4.50 0.00 1.93 1.79 0.00 1.71 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.59 1.55 7.81 80 V 9.21 5.14 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 0.92 0.00 0.00 0.98 0.00 0.00 81 D 9.07 5.37 0.00 2.50 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 82 I 8.42 4.70 1.62 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.37 0.60 0.00 0.00 83 F 8.43 5.17 0.00 3.02 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 84 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 85 V 8.79 4.44 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 0.76 0.00 0.00 1.06 0.00 0.00 86 P 0.00 4.83 0.00 1.24 1.30 0.00 3.54 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.79 0.00 87 Y 7.71 4.55 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 88 F 8.83 4.55 0.00 3.29 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 89 Y 8.44 4.73 0.00 2.98 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 90 T 8.90 3.40 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 0.54 0.00 0.00 91 C 8.14 4.40 0.00 2.68 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 92 I 8.30 4.64 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.96 0.79 0.00 0.00 93 I 8.43 4.22 1.78 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 1.17 0.48 0.80 0.00 0.00 94 P 0.00 4.19 0.00 1.85 1.71 0.00 2.75 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.82 0.00 95 K 8.60 4.13 0.00 1.73 1.76 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.39 7.81 96 S 8.56 4.34 0.00 3.63 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.73 4.23 0.00 1.98 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 0.00 2.23 1.89 0.00 98 P 0.00 4.90 0.00 2.03 1.86 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.58 0.00 *104 F 7.90 4.54 0.00 2.22 2.29 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 0.00 105 G 8.60 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 7.68 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 0.00 107 C 7.86 4.24 0.00 1.93 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 0.00 108 C 7.50 5.29 0.00 1.23 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 0.00 0.00 0.00 109 M 7.93 4.85 0.00 1.80 2.02 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 110 Y 8.74 4.94 0.00 3.05 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 0.00 111 G 10.00 3.67 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 0.00 112 G 8.69 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.15 4.97 0.00 0.27 0.73 0.74 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 114 T 7.86 4.54 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 115 F 8.53 4.91 0.00 3.08 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 0.00 116 N 8.75 4.85 0.00 2.77 2.95 0.00 0.00 6.77 8.82 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 0.00 117 S 8.35 4.50 0.00 3.60 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 0.00 118 S 8.77 4.31 0.00 3.62 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.99 4.01 0.00 1.98 1.81 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 2.24 1.89 0.00 120 N 8.58 4.25 0.00 2.71 2.58 0.00 0.00 6.76 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 *122 R 8.59 4.19 0.00 1.85 1.80 0.00 3.23 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 123 D 8.61 4.76 0.00 2.55 2.64 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 0.00 124 K 8.96 4.69 0.00 1.62 1.67 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.53 7.81 125 L 8.45 5.17 0.00 1.44 1.50 0.92 0.77 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 0.00 126 I 8.46 4.47 1.77 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.01 0.78 0.00 0.00 127 T 8.31 4.48 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 1.05 0.00 0.00 128 V 7.70 3.50 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 0.00 0.00 0.56 0.00 0.00 0.33 0.00 0.00 129 Q 8.49 4.22 0.00 1.82 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 130 V 8.48 4.61 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 0.95 0.00 0.00 1.01 0.00 0.00 131 T 8.62 4.97 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 1.24 0.00 0.00 132 I 8.72 4.67 1.92 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 1.18 0.80 1.08 0.00 0.00 133 D 9.74 4.51 0.00 2.76 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 0.00 134 N 8.50 4.29 0.00 2.82 2.89 0.00 0.00 6.87 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 0.00 135 R 8.44 4.46 0.00 1.77 1.79 0.00 3.25 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 136 Q 7.81 4.70 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 137 S 8.60 5.21 0.00 3.70 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 0.00 138 L 8.88 4.90 0.00 1.58 1.57 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.44 4.49 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 0.00 0.00 0.00 140 F 7.65 4.88 0.00 1.94 1.57 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 0.00 141 T 8.25 4.98 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 1.12 0.00 0.00 142 I 8.35 4.93 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.73 1.00 0.00 0.00 143 T 8.27 5.22 4.26 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 1.23 0.00 0.00 144 T 8.35 4.61 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 1.18 0.00 0.00 145 N 8.89 4.48 0.00 2.74 2.84 0.00 0.00 7.09 6.68 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 0.00 146 K 7.55 4.27 0.00 1.75 1.93 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.40 7.81 147 N 8.96 4.53 0.00 2.67 2.87 0.00 0.00 7.01 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 0.00 148 M 8.07 5.04 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 149 V 8.79 4.63 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 0.86 0.00 0.00 150 T 8.30 4.50 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 1.09 0.00 0.00 151 I 8.55 3.56 1.91 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 1.39 1.04 0.71 0.00 0.00 152 Q 7.98 3.68 0.00 1.76 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.89 0.00 0.00 0.00 0.00 0.00 2.08 1.16 0.00 153 E 8.12 3.63 0.00 1.65 1.75 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 1.57 1.47 0.00 154 L 7.55 4.05 0.00 2.09 1.94 1.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 155 D 8.78 4.68 0.00 3.38 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 0.00 156 Y 8.62 4.51 0.00 3.45 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 0.00 157 K 8.52 4.14 0.00 2.15 2.03 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.49 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.72 1.88 7.81 158 A 8.35 4.38 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 0.00 159 R 8.41 3.88 0.00 1.52 1.73 0.00 2.21 0.00 0.00 2.89 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.88 0.00 160 H 8.56 4.38 0.00 2.77 3.41 0.00 5.83 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 W 8.09 3.85 0.00 3.45 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 0.00 162 L 8.05 3.95 0.00 1.69 1.64 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 163 T 7.99 3.93 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 1.38 0.00 0.00 164 K 7.69 3.86 0.00 1.54 1.58 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.19 1.33 7.81 165 E 7.90 3.99 0.00 1.16 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 1.47 1.47 0.00 166 K 7.12 4.43 0.00 1.88 1.97 0.00 2.03 0.00 0.00 1.89 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.12 1.62 7.81 167 K 7.73 3.84 0.00 1.90 1.92 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.27 7.81 168 L 8.37 4.12 0.00 1.53 1.36 0.64 0.44 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 0.00 169 Y 7.65 5.01 0.00 3.06 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 0.00 170 E 9.09 4.89 0.00 2.07 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 0.00 2.24 2.37 0.00 171 F 9.05 3.99 0.00 3.02 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 0.00 172 D 8.26 5.04 0.00 2.84 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 G 7.24 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 S 8.33 4.76 0.00 4.07 3.89 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 0.00 175 A 8.18 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 F 7.76 4.98 0.00 3.15 3.19 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 0.00 177 E 9.27 4.55 0.00 2.08 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 2.24 2.26 0.00 178 S 7.08 4.69 0.00 4.02 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 0.00 179 G 8.57 4.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 Y 8.16 5.59 0.00 3.45 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 0.00 181 I 8.97 4.72 1.90 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 0.56 1.29 1.29 0.00 0.00 182 K 9.33 5.18 0.00 2.11 1.73 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.51 7.81 183 F 8.70 4.98 0.00 1.65 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 0.00 184 T 8.74 4.95 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 1.22 0.00 0.00 185 E 9.10 4.72 0.00 2.04 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 2.42 2.40 0.00 186 K 8.81 4.05 0.00 1.68 1.84 0.00 1.78 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.03 7.81 187 N 8.26 4.42 0.00 2.83 2.95 0.00 0.00 5.89 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 0.00 188 N 8.07 4.25 0.00 2.95 2.82 0.00 0.00 6.89 7.87 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 0.00 189 T 7.77 4.48 4.33 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 1.31 0.00 0.00 190 S 8.27 5.12 0.00 4.03 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 F 8.01 5.30 0.00 2.92 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 0.00 192 W 8.16 5.79 0.00 3.71 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 0.00 193 F 9.44 5.33 0.00 3.23 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 0.00 194 D 9.22 5.29 0.00 3.13 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 0.00 195 L 9.14 4.34 0.00 1.11 1.23 0.78 0.68 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 0.00 196 F 8.76 5.23 0.00 3.12 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 0.00 197 P 0.00 4.67 0.00 1.81 1.97 0.00 3.99 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 1.10 1.16 0.00 198 K 8.91 4.42 0.00 1.70 1.74 0.00 1.87 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 0.97 7.81 199 K 8.85 4.31 0.00 1.97 2.13 0.00 1.59 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.55 7.81 200 E 8.18 4.21 0.00 2.02 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 2.35 2.40 0.00 201 L 7.90 4.37 0.00 1.70 1.95 0.79 1.01 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 0.00 202 V 7.44 4.38 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 0.83 0.00 0.00 0.78 0.00 0.00 203 P 0.00 4.51 0.00 2.38 2.13 0.00 3.87 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 204 F 8.77 4.19 0.00 3.05 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 0.00 205 V 7.49 3.89 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 -0.10 0.00 0.00 0.77 0.00 0.00 206 P 0.00 3.75 0.00 1.10 2.25 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.13 0.00 207 Y 7.14 4.45 0.00 3.17 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 0.00 208 K 7.42 4.32 0.00 1.49 1.67 0.00 1.37 0.00 0.00 1.50 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.23 0.54 7.81 209 F 7.36 4.42 0.00 2.73 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 L 8.00 4.03 0.00 1.94 2.02 1.20 0.88 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 0.00 211 N 7.46 3.14 0.00 2.41 2.61 0.00 0.00 6.01 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 0.00 212 I 6.79 3.55 0.89 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 -0.36 0.38 0.00 0.00 213 Y 7.52 4.83 0.00 3.17 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 0.00 214 G 7.88 3.89 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 0.00 0.00 0.00 215 D 8.10 4.45 0.00 2.76 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 0.00 216 N 8.01 4.10 0.00 2.85 2.93 0.00 0.00 7.08 6.07 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 0.00 217 K 8.10 4.10 0.00 1.97 1.64 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.19 1.47 7.81 218 V 8.41 4.86 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.01 0.00 0.00 219 V 8.93 4.63 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 0.78 0.00 0.00 1.00 0.00 0.00 220 D 8.55 5.13 0.00 2.83 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 0.00 221 S 8.95 4.27 0.00 3.90 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 0.00 222 K 8.52 4.18 0.00 1.90 1.91 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.44 1.43 7.81 223 S 7.30 4.71 0.00 3.94 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 0.00 224 I 7.81 3.85 2.05 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.81 0.95 0.00 0.00 225 K 8.99 4.63 0.00 1.80 1.71 0.00 1.58 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.22 1.28 7.81 226 M 8.29 4.80 0.00 1.49 1.59 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.11 0.00 227 E 8.78 4.73 0.00 1.81 1.28 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 2.02 2.07 0.00 228 V 8.78 4.45 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 0.72 0.00 0.00 0.78 0.00 0.00 229 F 8.50 5.02 0.00 2.08 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 0.00 230 L 8.85 5.14 0.00 1.08 0.77 -0.13 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 231 N 9.12 5.61 0.00 2.66 2.74 0.00 0.00 6.79 7.83 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 0.00 232 T 9.05 4.67 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 233 H 8.59 4.35 0.00 3.08 3.24 0.00 5.95 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 * Residues marked with a * may have inaccurate shift predictions.