NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5182 8.3049 120.3605 54.7944 32.8522 174.9482 2 K 4.0729 8.6648 126.3043 56.6572 33.3950 174.6593 3 K 5.1866 9.5717 123.5555 54.8297 36.1322 175.3079 4 I 4.7232 9.1875 124.0078 59.8601 39.7139 174.6074 5 I 4.6546 8.8504 129.8408 59.9713 38.7669 175.0151 6 L 4.7392 8.6907 128.3665 53.1269 43.6518 176.0574 7 T 4.6139 8.1800 115.0727 61.2075 70.8606 173.8153 8 I 4.6573 9.6368 125.4517 59.3716 40.1054 175.0930 9 G 4.4566 7.8227 117.0130 46.1605 0.0000 171.8328 10 C 4.6043 8.0136 118.7207 58.1004 29.0577 171.7643 11 P 4.3602 0.0000 0.0000 64.4545 31.1729 176.9376 12 G 3.9100 8.8706 109.2517 45.4625 0.0000 173.9697 13 S 4.2978 7.6164 113.0407 58.8087 63.7142 175.1108 14 G 4.0704 8.1670 110.1281 45.5104 0.0000 175.3477 15 K 2.9228 7.6857 120.3554 59.1050 31.8927 179.1522 16 S 4.0857 7.8204 113.7895 61.7124 62.9262 176.3732 17 T 3.8318 7.8398 118.9571 65.9872 68.3103 176.0982 18 W 4.1456 8.4011 129.9481 60.4894 30.7981 177.6634 19 A 3.6324 8.4701 120.7514 55.1132 17.8551 179.5760 20 R 3.7474 8.0950 117.1396 59.7573 30.3405 178.6891 21 E 3.9100 8.2425 118.4395 59.0046 29.3701 179.1572 22 F 3.6165 8.0855 121.2061 61.2122 39.1160 177.3381 23 I 3.5305 7.3588 117.8215 64.1851 36.8815 178.0379 24 A 4.0094 7.5180 120.4856 54.2724 18.2972 178.8889 25 K 4.3592 7.3961 114.0718 55.9633 33.7293 176.9518 26 N 4.6484 7.3145 117.0107 49.6469 39.1139 171.1196 27 P 4.1710 0.0000 0.0000 63.9379 32.1977 176.9881 28 G 4.0174 8.8420 109.4234 45.7893 0.0000 172.7660 29 F 5.5109 7.1342 116.3095 55.3093 41.2969 174.9329 30 Y 4.8060 8.4741 117.9288 56.2824 42.2918 173.7104 31 N 5.2616 8.8860 120.6972 52.6795 40.7216 174.2115 32 I 4.6242 8.7538 125.8101 59.5356 41.2675 173.9279 33 N 4.7808 7.7557 124.5799 51.0514 41.8311 175.1030 34 R 3.8096 9.4960 126.2928 59.4681 30.1465 178.9316 35 D 4.1742 7.9531 118.0975 57.3481 40.7920 178.3340 36 D 4.3162 8.3831 119.4764 57.7055 40.7730 178.6025 37 Y 4.3519 7.5828 116.7655 61.0809 37.4788 178.6444 38 R 3.8295 8.1321 119.1505 59.3700 30.1049 179.1931 39 Q 3.9453 8.0862 117.9273 58.7310 28.6593 178.6594 40 S 3.9419 8.2054 114.5228 61.4479 62.3210 176.4162 41 I 3.8116 7.8242 114.0408 63.4796 36.8595 176.9088 42 M 4.3739 7.6658 117.7482 53.9905 31.8376 175.9115 43 A 3.5765 8.4035 120.6586 53.6201 17.1965 177.5768 44 H 3.9321 8.4135 111.7982 58.3346 25.8059 174.5867 45 E 4.3496 7.5005 115.2701 55.1123 31.2811 176.5153 46 E 4.2010 8.4373 118.7237 56.6023 30.2593 178.3908 47 R 3.9667 9.0844 123.2859 59.5751 30.2051 178.5708 48 D 4.5739 8.1009 114.6313 55.7213 39.4640 177.0557 49 E 4.1534 8.3347 119.3361 58.2055 29.8850 176.4795 50 Y 4.0703 8.1425 120.3431 56.8255 38.9850 175.1530 51 K 4.3743 7.5633 126.6605 55.1238 33.6692 176.9842 52 Y 4.2539 8.5830 123.2505 58.1142 35.5966 176.0689 53 T 4.4723 7.4479 114.6633 60.0592 72.3739 175.5980 54 K 3.9631 8.4415 122.6052 59.4412 32.3218 178.9489 55 K 3.8867 7.9450 119.4185 59.4594 32.2132 178.7242 56 K 3.9854 7.9357 118.4409 59.6989 31.9791 179.1951 57 E 4.1941 8.5103 118.9215 59.4854 29.3453 179.7705 58 G 3.6222 8.1950 105.7607 47.6831 0.0000 175.9225 59 I 3.7269 7.6804 121.9620 64.2320 37.1799 178.5785 60 V 3.7236 8.1420 119.3447 66.4593 31.3546 178.1601 61 T 4.1162 8.4332 115.7780 66.6620 68.3074 176.7975 62 G 3.7158 8.3436 107.6626 48.1775 0.0000 175.6263 63 M 4.0300 8.3154 121.0382 58.0697 31.8078 178.7826 64 Q 4.3058 8.3186 118.1849 59.3782 28.9409 179.0733 65 F 3.6611 8.0716 118.5287 60.4459 38.7536 177.6382 66 D 4.4202 8.2948 118.7117 57.5299 40.5252 178.9786 67 T 3.8473 8.2326 116.1605 66.4468 68.5179 176.4452 68 A 3.9966 8.3148 122.9186 55.2244 18.5182 179.5244 69 K 4.0979 8.5397 118.1376 59.9565 32.0713 179.1366 70 S 4.1380 8.2260 114.5456 61.5729 62.9663 176.5959 71 I 3.7079 8.0522 122.7665 64.4340 36.7170 178.5847 72 L 3.8279 8.0430 118.4484 57.4832 41.2072 178.1539 73 Y 4.5833 7.8108 115.1553 59.1478 38.2206 176.5102 74 G 3.9520 8.1295 110.9655 44.8206 0.0000 174.0951 75 G 3.9435 8.2541 109.2246 45.6064 0.0000 173.9075 76 D 4.6044 8.6387 118.8120 56.2489 41.4343 177.8479 77 S 4.1520 7.9757 113.7812 60.4421 63.4013 173.9880 78 V 4.0005 7.2280 120.3823 62.5028 31.2871 175.4629 79 K 4.0496 8.7509 127.8478 56.0146 33.1555 176.7769 80 G 3.8697 6.0144 103.3706 46.3841 0.0000 171.5229 81 V 5.2409 8.0632 111.7215 59.6241 36.3673 175.0579 82 I 4.7901 8.9710 123.6203 59.9085 39.9032 175.4180 83 I 4.3005 8.8064 129.9083 58.9324 36.3887 177.3781 84 S 5.0446 8.0710 127.3481 57.7055 62.0266 174.4707 85 D 4.7406 7.7291 120.4730 53.7930 43.3235 176.9922 86 T 4.1256 8.2344 108.6485 63.1355 68.7755 174.9833 87 N 4.4971 8.0948 116.4373 53.8614 36.2380 175.3160 88 L 3.9723 7.9316 119.0184 56.8997 42.4890 176.9136 89 N 4.5908 8.0233 118.0612 52.1518 39.2336 173.1981 90 P 4.3522 0.0000 0.0000 66.1549 31.4671 178.3556 91 E 4.0621 8.5733 117.0894 59.4664 29.2965 179.6686 92 R 4.0772 8.0757 117.8938 59.3215 30.2617 179.3079 93 R 4.2110 8.1041 117.5085 59.2770 30.1003 178.6864 94 L 4.1164 8.3360 119.9821 57.9496 42.0439 178.8898 95 A 4.0106 8.0162 120.7195 55.1280 18.3973 179.7494 96 W 4.6000 8.3250 116.9946 59.7112 28.9939 178.8711 97 E 4.2246 8.4723 118.9254 59.8334 29.1943 179.4157 98 T 3.9606 8.3589 109.9703 64.6418 68.1712 176.2362 99 F 4.4621 8.6665 123.3579 61.3661 39.5766 177.0488 100 A 4.4343 8.7055 120.4919 55.1901 18.0430 179.5285 101 K 4.2405 8.3457 117.2456 59.1984 32.2884 178.3059 102 E 3.9441 7.8583 118.7396 58.0095 29.5253 176.6111 103 Y 3.9427 6.8905 113.0256 56.7120 38.5113 175.5468 104 G 3.6664 7.7168 106.1583 46.8935 0.0000 173.5692 105 W 5.2574 8.4072 116.8661 54.5340 33.3298 176.2545 106 K 4.6353 8.8816 123.4919 55.0346 33.6594 175.0949 107 V 4.7944 8.5219 127.3246 61.8145 32.7952 174.5818 108 E 4.8777 9.3168 126.6286 54.8222 33.7098 174.3177 109 H 5.3105 8.6638 117.4855 53.9849 32.0750 173.5655 110 K 4.0273 8.8997 124.7451 54.4535 33.7084 174.5369 111 V 4.2839 7.8925 127.5070 62.1411 32.5114 176.1108 112 F 4.5307 9.1311 127.4358 55.6394 38.5945 172.9251 113 D 4.6041 8.2620 118.8342 53.1442 40.7729 175.3735 114 V 4.4974 8.0827 125.9827 59.7620 34.2362 174.1386 115 P 4.4975 0.0000 0.0000 62.2419 33.0818 176.8988 116 W 3.8832 8.8317 131.9549 60.9724 30.5453 178.2615 117 T 3.4775 7.8977 108.8132 64.8961 67.9421 175.6192 118 E 3.8230 7.9066 121.4647 58.8405 29.7034 178.5317 119 L 3.8661 7.7606 119.1007 57.6021 41.6182 179.7362 120 V 3.1061 7.0367 118.1025 65.5380 31.1673 177.9208 121 K 3.7941 7.3392 117.8209 59.6980 32.4266 178.6673 122 R 4.0060 7.9082 118.2325 59.2216 29.7555 178.6080 123 N 4.3575 8.0887 116.2623 56.1883 39.0199 176.4144 124 S 4.3984 7.9093 113.7277 59.2239 63.5131 174.3248 125 K 4.6568 7.7384 122.2520 56.7801 32.9666 176.6964 126 R 4.5630 8.0522 115.4389 54.8885 33.2546 178.4001 127 G 3.8593 7.9398 108.4757 46.4282 0.0000 175.9064 128 T 3.9637 9.0486 119.0566 66.3378 68.1902 174.7303 129 K 4.1787 7.9914 117.7383 56.9185 32.5229 177.2254 130 A 4.2725 8.0699 122.7033 52.0405 18.8897 176.8983 131 V 4.4750 8.9318 120.1770 59.6695 34.1865 174.6346 132 P 4.3224 0.0000 0.0000 63.0938 32.4385 176.8202 133 I 3.7438 8.6106 121.4396 64.8787 37.8559 177.5526 134 D 4.4000 8.1630 118.7894 57.3710 40.6585 178.8690 135 V 3.6304 7.7714 118.3819 65.7245 31.5718 177.6937 136 L 4.0635 8.1370 120.1979 58.1226 42.0385 178.7260 137 R 3.7110 8.5609 119.0293 59.7127 30.0678 178.4148 138 S 4.1251 8.0886 112.6353 61.7141 62.3935 176.0379 139 M 4.1670 8.3320 121.5181 58.3352 31.6848 178.0887 140 Y 4.2754 8.5281 120.2567 60.4781 38.9934 177.9730 141 K 3.7164 8.0821 120.5471 59.5989 32.3507 179.0238 142 S 4.4191 7.9503 116.5991 61.1605 62.6906 176.4264 143 M 4.0792 8.0309 121.0067 58.7051 32.0052 178.5024 144 R 3.8332 7.7956 118.2059 59.2521 29.8707 178.9055 145 E 3.9813 8.2272 118.4189 59.4916 29.1954 178.7699 146 Y 4.1124 7.7910 118.7887 60.5343 38.9999 177.5196 147 L 4.0569 7.8556 117.7426 55.0905 41.8544 177.7144 148 G 3.7675 7.5481 106.6911 45.9083 0.0000 173.4467 149 L 4.4631 7.8640 119.2230 52.0161 42.9586 175.1917 150 P 4.3017 0.0000 0.0000 63.0577 31.8237 176.1052 151 V 4.3364 7.6012 112.5897 59.9519 35.7346 175.0627 152 Y 4.2418 8.4059 118.2264 58.3629 37.8981 175.7765 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 4.52 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.71 0.00 2 K 8.66 4.07 0.00 1.79 1.54 0.00 1.87 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.59 7.81 3 K 9.57 5.19 0.00 1.95 1.83 0.00 1.92 0.00 0.00 2.15 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.51 7.81 4 I 9.19 4.72 2.02 0.00 0.00 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 1.21 0.93 0.82 0.00 0.00 5 I 8.85 4.65 1.94 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.12 0.89 0.00 0.00 6 L 8.69 4.74 0.00 1.59 1.46 1.05 0.02 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 7 T 8.18 4.61 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 1.23 0.00 0.00 8 I 9.64 4.66 1.59 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.40 0.11 0.00 0.00 9 G 7.82 4.46 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 0.00 10 C 8.01 4.60 0.00 3.09 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 11 P 0.00 4.36 0.00 2.16 2.04 0.00 3.80 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 2.00 1.99 0.00 12 G 8.87 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 13 S 7.62 4.30 0.00 4.26 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.17 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.69 2.92 0.00 1.49 1.49 0.00 1.45 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.30 0.91 7.81 16 S 7.82 4.09 0.00 4.01 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.84 3.83 4.45 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 0.00 0.00 0.00 1.26 0.00 0.00 18 W 8.40 4.15 0.00 3.77 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 19 A 8.47 3.63 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 20 R 8.10 3.75 0.00 1.85 2.11 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 21 E 8.24 3.91 0.00 1.91 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 2.45 2.44 0.00 22 F 8.09 3.62 0.00 1.64 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 0.00 0.00 0.00 23 I 7.36 3.53 1.82 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 1.47 0.74 0.83 0.00 0.00 24 A 7.52 4.01 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.40 4.36 0.00 1.46 1.66 0.00 1.52 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.45 7.81 26 N 7.31 4.65 0.00 1.75 2.22 0.00 0.00 6.87 8.11 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 27 P 0.00 4.17 0.00 1.99 1.94 0.00 3.56 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 28 G 8.84 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 29 F 7.13 5.51 0.00 2.86 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 30 Y 8.47 4.81 0.00 2.91 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 31 N 8.89 5.26 0.00 2.72 2.72 0.00 0.00 6.81 7.94 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 32 I 8.75 4.62 1.83 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 1.21 0.77 0.93 0.00 0.00 33 N 7.76 4.78 0.00 2.53 2.51 0.00 0.00 7.21 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 34 R 9.50 3.81 0.00 1.87 1.95 0.00 3.29 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.02 0.00 35 D 7.95 4.17 0.00 2.77 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 36 D 8.38 4.32 0.00 2.63 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.58 4.35 0.00 3.02 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 38 R 8.13 3.83 0.00 1.49 0.77 0.00 2.21 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.72 0.00 39 Q 8.09 3.95 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 40 S 8.21 3.94 0.00 4.01 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 41 I 7.82 3.81 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.78 0.97 0.00 0.00 42 M 7.67 4.37 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.95 0.00 43 A 8.40 3.58 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.41 3.93 0.00 3.29 3.40 0.00 5.66 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 45 E 7.50 4.35 0.00 2.22 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 2.35 2.34 0.00 46 E 8.44 4.20 0.00 2.20 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 2.42 2.45 0.00 47 R 9.08 3.97 0.00 1.89 2.04 0.00 3.17 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 48 D 8.10 4.57 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 49 E 8.33 4.15 0.00 2.11 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 2.35 2.35 0.00 50 Y 8.14 4.07 0.00 2.85 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 51 K 7.56 4.37 0.00 1.78 1.69 0.00 1.54 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.04 1.17 7.81 52 Y 8.58 4.25 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 53 T 7.45 4.47 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 1.14 0.00 0.00 54 K 8.44 3.96 0.00 1.87 1.86 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.52 7.81 55 K 7.94 3.89 0.00 1.90 1.78 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.60 7.81 56 K 7.94 3.99 0.00 1.86 1.97 0.00 1.47 0.00 0.00 1.43 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.46 7.81 57 E 8.51 4.19 0.00 2.15 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 0.00 2.68 2.70 0.00 58 G 8.20 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 59 I 7.68 3.73 2.09 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 1.42 0.76 0.92 0.00 0.00 60 V 8.14 3.72 2.33 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 1.20 0.00 0.00 1.09 0.00 0.00 61 T 8.43 4.12 4.47 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 0.00 0.00 0.00 1.38 0.00 0.00 62 G 8.34 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 M 8.32 4.03 0.00 1.44 2.12 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.39 0.00 64 Q 8.32 4.31 0.00 2.34 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.87 0.00 65 F 8.07 3.66 0.00 2.92 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 66 D 8.29 4.42 0.00 2.79 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 67 T 8.23 3.85 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 1.27 0.00 0.00 68 A 8.31 4.00 1.64 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 69 K 8.54 4.10 0.00 2.30 2.07 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.62 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.22 1.43 7.81 70 S 8.23 4.14 0.00 3.97 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 71 I 8.05 3.71 1.79 0.00 0.00 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 1.16 0.56 0.54 0.00 0.00 72 L 8.04 3.83 0.00 0.92 0.75 -0.38 0.46 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 73 Y 7.81 4.58 0.00 3.17 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 74 G 8.13 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.25 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 76 D 8.64 4.60 0.00 2.69 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.98 4.15 0.00 4.02 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 78 V 7.23 4.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.95 0.00 0.00 79 K 8.75 4.05 0.00 1.04 1.44 0.00 1.98 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.29 7.81 80 G 6.01 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 81 V 8.06 5.24 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 0.70 0.00 0.00 0.81 0.00 0.00 82 I 8.97 4.79 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.09 1.10 0.00 0.00 83 I 8.81 4.30 1.35 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 -0.23 0.42 0.00 0.00 84 S 8.07 5.04 0.00 3.76 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 85 D 7.73 4.74 0.00 2.63 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 86 T 8.23 4.13 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 1.18 0.00 0.00 87 N 8.09 4.50 0.00 2.91 2.82 0.00 0.00 6.93 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 88 L 7.93 3.97 0.00 1.62 1.71 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.02 4.59 0.00 2.75 2.75 0.00 0.00 7.21 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 90 P 0.00 4.35 0.00 2.24 2.17 0.00 3.69 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 91 E 8.57 4.06 0.00 2.19 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 2.36 2.39 0.00 92 R 8.08 4.08 0.00 2.17 2.18 0.00 3.23 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 93 R 8.10 4.21 0.00 2.12 2.13 0.00 3.05 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.93 0.00 94 L 8.34 4.12 0.00 1.86 1.92 1.00 0.85 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 95 A 8.02 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 W 8.33 4.60 0.00 3.72 3.45 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 0.00 0.00 0.00 0.00 97 E 8.47 4.22 0.00 2.41 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 0.00 2.50 2.68 0.00 98 T 8.36 3.96 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 1.32 0.00 0.00 99 F 8.67 4.46 0.00 3.46 3.69 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 0.00 100 A 8.71 4.43 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.35 4.24 0.00 1.92 1.90 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 102 E 7.86 3.94 0.00 1.99 2.03 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 1.47 1.92 0.00 103 Y 6.89 3.94 0.00 1.43 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 0.00 104 G 7.72 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 0.00 105 W 8.41 5.26 0.00 3.37 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.88 4.64 0.00 1.96 1.78 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 107 V 8.52 4.79 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 0.93 0.00 0.00 1.18 0.00 0.00 108 E 9.32 4.88 0.00 1.91 1.78 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 2.25 2.32 0.00 109 H 8.66 5.31 0.00 3.02 3.14 0.00 5.64 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 0.00 110 K 8.90 4.03 0.00 1.20 1.20 0.00 0.81 0.00 0.00 0.76 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 111 V 7.89 4.28 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.03 0.00 0.00 112 F 9.13 4.53 0.00 2.75 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 0.00 113 D 8.26 4.60 0.00 2.66 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 0.00 114 V 8.08 4.50 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.02 0.00 0.00 115 P 0.00 4.50 0.00 2.21 2.02 0.00 3.71 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 2.15 2.21 0.00 116 W 8.83 3.88 0.00 1.96 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 0.00 117 T 7.90 3.48 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 1.26 0.00 0.00 118 E 7.91 3.82 0.00 2.05 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 2.36 2.41 0.00 119 L 7.76 3.87 0.00 1.51 1.50 1.10 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.04 3.11 1.73 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 0.76 0.00 0.00 -0.52 0.00 0.00 121 K 7.34 3.79 0.00 1.71 1.89 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.42 7.81 122 R 7.91 4.01 0.00 1.83 1.91 0.00 3.23 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.88 0.00 123 N 8.09 4.36 0.00 2.66 2.88 0.00 0.00 7.29 7.48 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 0.00 124 S 7.91 4.40 0.00 4.03 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 0.00 125 K 7.74 4.66 0.00 1.72 1.78 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.53 7.81 126 R 8.05 4.56 0.00 1.80 1.87 0.00 3.24 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 127 G 7.94 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 9.05 3.96 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 129 K 7.99 4.18 0.00 1.88 1.84 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.37 7.81 130 A 8.07 4.27 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 0.00 131 V 8.93 4.48 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.96 0.00 0.00 132 P 0.00 4.32 0.00 2.33 2.21 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 133 I 8.61 3.74 1.93 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.98 0.00 0.00 134 D 8.16 4.40 0.00 2.79 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 0.00 135 V 7.77 3.63 2.26 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 1.04 0.00 0.00 0.94 0.00 0.00 136 L 8.14 4.06 0.00 1.91 2.05 0.99 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 137 R 8.56 3.71 0.00 2.13 2.13 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 138 S 8.09 4.13 0.00 3.97 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 0.00 139 M 8.33 4.17 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.56 0.00 140 Y 8.53 4.28 0.00 3.36 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.08 3.72 0.00 1.85 1.94 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.41 7.81 142 S 7.95 4.42 0.00 4.10 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 0.00 143 M 8.03 4.08 0.00 2.25 2.09 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 2.65 2.71 0.00 144 R 7.80 3.83 0.00 1.83 1.79 0.00 2.68 0.00 0.00 2.73 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.00 0.00 145 E 8.23 3.98 0.00 2.19 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 2.28 2.52 0.00 146 Y 7.79 4.11 0.00 2.96 3.21 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 0.00 147 L 7.86 4.06 0.00 1.77 1.66 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 148 G 7.55 3.77 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 0.00 0.00 0.00 149 L 7.86 4.46 0.00 1.61 1.53 0.89 0.94 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 0.00 150 P 0.00 4.30 0.00 1.96 1.93 0.00 3.64 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 1.88 1.91 0.00 151 V 7.60 4.34 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 0.70 0.00 0.00 0.85 0.00 0.00 152 Y 8.41 4.24 0.00 2.94 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