NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.7815 0.0000 0.0000 62.8842 33.6049 174.0119 2 I 4.8310 8.2242 119.4903 59.4375 39.4262 170.5605 3 V 4.5673 9.1783 119.3736 59.5991 36.9006 173.6874 4 Q 4.9637 8.4417 123.3023 54.8915 30.9781 175.4530 5 N 4.7631 8.9012 124.5174 51.5304 39.1446 175.7377 6 L 4.0744 8.2692 117.0357 57.3959 41.6713 178.3693 7 Q 4.1100 8.1404 115.7684 56.4452 29.0771 176.6326 8 G 3.9577 8.4027 106.5592 44.8973 0.0000 173.1237 9 Q 4.6449 8.3067 118.5976 54.3901 31.3110 174.6559 10 M 4.8187 8.4327 121.7231 55.0840 33.1362 176.0553 11 V 4.5954 8.8176 115.9205 59.6941 36.9088 174.0820 12 H 4.9096 8.7641 121.9702 56.1975 30.6788 174.0840 13 Q 4.5630 8.5274 125.6324 53.7281 31.2849 175.1566 14 A 4.1118 8.6291 128.8889 51.7986 19.1737 177.0150 15 I 3.6578 8.3058 120.8688 61.9870 37.7649 177.1891 16 S 4.3933 8.4557 119.3903 57.2553 65.2002 173.3426 17 P 4.2370 0.0000 0.0000 66.3309 31.1147 179.1367 18 R 4.0717 7.9843 115.8580 59.4965 29.9539 179.2112 19 T 3.9585 7.9872 115.6517 66.3825 68.5238 176.8192 20 L 4.0899 8.2152 122.5514 58.1889 42.1649 178.4799 21 N 4.3060 8.8008 117.2518 56.6011 38.8826 176.6863 22 A 4.0225 8.1005 122.2703 54.8626 18.4362 179.3944 23 W 4.3548 8.4740 126.9617 60.7389 30.7199 178.3586 24 V 3.2419 8.0258 118.2244 65.8250 30.8980 178.1562 25 K 3.8698 8.0532 118.2988 59.2562 31.7460 179.5537 26 V 3.4359 7.6705 118.5679 65.7690 31.4747 178.2319 27 V 2.8854 7.0699 117.9555 65.8353 31.0437 177.5898 28 E 3.7948 7.8129 117.1918 59.4432 29.3873 178.5602 29 E 4.1875 7.8246 117.3932 57.4184 30.1781 176.8274 30 K 4.3697 8.0982 115.5332 55.3703 34.4547 176.0214 31 A 3.4375 7.4513 122.6177 51.8933 19.0962 177.8538 32 F 4.5877 5.7329 121.3304 56.2406 39.8038 175.1654 33 S 4.7286 7.9874 116.4342 57.4633 64.1002 173.8104 34 P 4.2950 0.0000 0.0000 65.9076 30.6855 178.3042 35 E 4.1418 8.1852 116.5083 58.3343 29.7960 178.4617 36 V 3.8146 7.9921 119.4346 64.9703 31.1108 178.5659 37 I 3.8846 7.8720 120.5692 64.0626 37.1397 176.4966 38 P 4.2942 0.0000 0.0000 65.8701 31.0008 178.6452 39 M 4.1557 8.1039 117.2142 58.2041 32.0414 178.2729 40 F 4.0020 8.8497 121.2255 61.5157 39.3974 177.4110 41 S 3.8306 8.2740 113.4928 61.1457 62.8380 176.4148 42 A 4.0512 7.8712 123.3929 55.1888 18.1575 179.7997 43 L 3.9938 7.9346 116.2992 57.0178 41.9200 178.8109 44 S 4.1701 7.3551 112.9256 56.8835 63.2165 173.4940 45 E 3.9242 7.1883 124.4757 57.9365 29.7239 177.2964 46 G 3.8546 8.8923 113.0044 45.3346 0.0000 173.1095 47 A 4.1749 7.7205 123.9150 52.0815 19.0779 177.6768 48 T 4.2280 8.7391 112.7068 60.3655 71.3024 174.2411 49 P 4.4645 0.0000 0.0000 66.1029 31.2706 178.5104 50 Q 3.9911 8.1267 117.5286 59.5250 28.9923 178.1461 51 D 4.4057 8.1119 119.6922 57.3045 40.7467 178.7617 52 L 3.9038 8.1196 119.7165 57.8875 41.4924 179.3549 53 N 4.4447 8.5954 116.6218 56.4588 38.2163 177.5983 54 T 3.9143 7.7096 116.5235 66.9103 68.6159 176.1085 55 M 4.2928 8.1136 120.4815 58.5968 31.9496 178.9354 56 L 4.2440 8.2491 119.1364 57.5720 41.6186 178.3679 57 N 4.8790 8.3692 114.0350 53.9527 38.8686 176.3201 58 T 4.4670 7.6263 110.8317 61.1460 69.5437 174.8306 59 V 3.7155 7.4742 122.9453 62.7443 31.8301 175.1907 60 G 4.0540 8.5694 116.5336 44.9012 0.0000 175.1459 61 G 3.7031 8.5848 110.0247 46.0424 0.0000 172.9751 62 H 4.2950 8.6616 110.6627 56.8168 26.9509 177.1219 63 Q 4.0355 8.3331 118.6287 59.0664 28.8098 177.8138 64 A 3.9931 8.1195 121.0216 55.2951 18.3892 179.4239 65 A 3.9962 8.1072 118.6904 55.6292 18.5326 179.6470 66 M 3.9651 8.5834 117.6937 58.3930 32.0023 178.7925 67 Q 3.9651 8.3697 120.0111 59.4544 29.2273 178.2210 68 M 4.0725 8.1045 119.8036 58.1480 31.9206 178.5230 69 L 3.8546 8.0925 120.7273 57.8912 42.1937 178.7520 70 K 3.9013 8.1748 119.6711 59.7101 32.0314 178.4028 71 E 3.9381 8.2255 118.5975 59.7927 29.3476 179.5394 72 T 3.8126 8.0220 115.6056 66.7004 68.4479 176.7802 73 I 3.8066 7.9517 121.7096 64.5600 37.1726 178.3030 74 N 4.2639 8.4231 117.5539 56.1722 38.3371 177.1162 75 E 3.8342 8.3190 120.9361 59.3058 29.6386 178.7991 76 E 3.5397 8.0481 118.4970 58.8975 29.2428 179.1621 77 A 3.4002 7.4940 120.7907 54.9048 18.3007 179.6096 78 A 3.9682 7.7869 119.2858 55.2488 18.4624 179.7771 79 E 3.8844 8.1495 117.2561 58.9077 29.5413 179.0929 80 W 4.1840 8.4117 129.0085 60.8348 30.5301 177.7500 81 D 4.4613 7.8759 116.8745 57.4659 40.3186 178.5354 82 R 3.9962 7.5203 118.4743 58.8315 30.1995 177.7100 83 L 4.2599 7.6690 116.2739 54.8466 43.3687 176.5412 84 H 4.6525 7.2644 114.9732 53.0226 28.8316 171.5725 85 P 4.3651 0.0000 0.0000 62.6665 32.2904 176.4983 86 V 4.5062 7.7743 113.3931 59.4990 34.7442 175.1165 87 H 4.4961 8.3040 117.4721 55.4915 29.1327 176.9199 88 A 4.2062 8.9299 124.3468 55.0633 19.1466 178.8684 89 G 4.5743 7.1254 100.5181 43.3430 0.0000 171.4211 90 P 4.6391 0.0000 0.0000 62.2876 32.5977 176.7865 91 I 3.9522 8.2479 118.8040 63.8015 37.3852 176.8663 92 E 4.3901 7.9123 118.9468 54.3360 30.3434 174.5294 93 P 4.2889 0.0000 0.0000 63.8891 31.9056 176.1501 94 G 3.9773 8.7754 108.8893 46.6777 0.0000 175.4508 95 Q 4.0219 8.9826 120.1290 55.7944 27.3583 178.5037 96 M 4.7152 8.9329 134.6154 55.5146 34.5391 173.5221 97 R 4.1720 8.5391 122.5186 56.1941 30.1376 176.5218 98 E 4.2637 8.6380 119.8833 55.0724 30.3440 175.1773 99 P 3.8777 0.0000 0.0000 62.6902 31.9203 176.7990 100 R 4.7388 9.1040 120.6738 54.6661 33.1122 178.0586 101 G 3.8471 9.9760 107.4361 48.3459 0.0000 176.1171 102 S 4.2288 8.0514 115.6485 60.6676 63.1756 176.1482 103 D 4.4087 7.8333 122.8031 57.3298 40.4954 178.4082 104 I 3.2457 7.3521 119.0455 64.1313 37.0177 177.0233 105 A 2.5800 7.7244 120.1834 51.7753 18.2324 178.1136 106 G 3.9447 7.6770 104.1812 45.9462 0.0000 175.0390 107 T 4.1661 7.7985 110.9804 63.2084 69.3340 175.4885 108 T 4.5431 7.9877 109.1077 60.8267 69.6175 173.6506 109 S 5.0227 7.8057 116.6994 56.9131 65.4069 174.5494 110 T 4.2154 8.6483 113.5211 60.9927 70.8105 175.5990 111 L 3.8497 8.3146 123.0224 58.6725 41.9750 179.2598 112 Q 3.8888 7.9240 117.2618 58.7964 28.5455 178.5192 113 E 3.2851 7.9360 119.7578 58.9895 29.3179 179.0678 114 Q 4.2266 7.8993 118.1183 59.3476 28.8653 179.2736 115 I 3.7873 7.9295 120.7631 64.3078 37.0035 178.6810 116 G 3.4996 8.1385 106.8394 47.5757 0.0000 175.8214 117 W 4.4524 8.0046 121.4924 59.9421 28.9219 178.7213 118 M 4.3642 8.3607 117.4138 57.4629 31.3644 177.3166 119 T 4.4612 7.4274 106.9194 61.2850 69.0230 173.8380 120 H 4.2915 7.7567 121.5121 56.3968 30.4562 173.6284 121 N 4.9144 7.8966 120.7513 50.8745 39.5669 172.2066 122 P 4.6321 0.0000 0.0000 61.1222 32.6268 174.4615 123 P 4.4901 0.0000 0.0000 62.3833 31.6585 176.9058 124 I 4.2880 8.2341 124.1055 59.4380 36.9752 174.8706 125 P 4.6023 0.0000 0.0000 61.8383 28.5176 176.8885 126 V 3.3589 7.6870 118.4311 64.5997 31.8841 178.1777 127 G 3.6098 7.8156 106.7704 47.3453 0.0000 175.5547 128 E 3.8911 7.9701 120.9185 58.9239 29.5628 179.4633 129 I 3.4062 7.7370 120.1863 64.3169 37.0073 177.8017 130 Y 3.4502 7.4001 120.2761 60.4256 38.5452 178.1870 131 K 3.9167 8.1588 119.6524 59.3845 32.0531 179.0486 132 R 3.9446 7.9365 118.8862 59.4525 29.9860 178.5981 133 W 4.4609 8.0304 118.4106 59.9605 28.9950 178.6095 134 I 3.6889 8.2042 120.1717 64.4243 36.4116 178.5704 135 I 3.6937 8.4317 120.9840 64.2247 36.4094 178.3133 136 L 4.1225 8.4931 120.4701 57.8906 41.4879 179.9332 137 G 3.5591 8.1740 105.4695 47.7922 0.0000 175.7705 138 L 3.8677 8.1753 121.9818 57.5601 41.3807 179.3988 139 N 4.3833 8.3605 115.8241 55.6774 38.4303 177.1355 140 K 4.1163 7.6153 120.7127 59.5339 32.4011 179.0309 141 I 3.8096 7.8611 119.8482 64.1444 36.8824 178.6904 142 V 4.4257 7.9817 114.8885 63.9077 31.0741 178.5840 143 R 4.0780 7.6349 116.8671 59.1598 29.9131 178.3636 144 M 4.1412 8.1448 117.3799 56.9843 31.9895 175.9151 145 Y 4.3441 8.1608 121.9975 58.0694 38.9100 175.1117 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 P 0.00 4.78 0.00 2.08 2.24 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 1.80 0.00 2 I 8.22 4.83 1.86 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 1.36 0.80 0.96 0.00 0.00 3 V 9.18 4.57 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 1.02 0.00 0.00 4 Q 8.44 4.96 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 5 N 8.90 4.76 0.00 2.96 2.95 0.00 0.00 6.68 6.89 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 6 L 8.27 4.07 0.00 1.65 1.77 0.91 0.88 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 7 Q 8.14 4.11 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.83 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 8 G 8.40 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 9 Q 8.31 4.64 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 10 M 8.43 4.82 0.00 1.89 1.98 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 2.57 2.50 0.00 11 V 8.82 4.60 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 0.65 0.00 0.00 0.99 0.00 0.00 12 H 8.76 4.91 0.00 3.11 3.19 0.00 5.86 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 13 Q 8.53 4.56 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.66 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 14 A 8.63 4.11 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 15 I 8.31 3.66 1.88 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 1.43 0.73 0.90 0.00 0.00 16 S 8.46 4.39 0.00 4.04 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 17 P 0.00 4.24 0.00 2.18 2.18 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 18 R 7.98 4.07 0.00 1.85 1.99 0.00 3.12 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 19 T 7.99 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 1.19 0.00 0.00 20 L 8.22 4.09 0.00 1.88 1.71 1.08 0.85 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 21 N 8.80 4.31 0.00 2.84 2.90 0.00 0.00 7.12 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 22 A 8.10 4.02 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 23 W 8.47 4.35 0.00 3.40 3.29 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 24 V 8.03 3.24 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 0.98 0.00 0.00 0.94 0.00 0.00 25 K 8.05 3.87 0.00 1.98 1.79 0.00 1.71 0.00 0.00 1.56 0.00 0.00 3.17 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.52 7.81 26 V 7.67 3.44 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 1.04 0.00 0.00 0.99 0.00 0.00 27 V 7.07 2.89 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 -0.42 0.00 0.00 28 E 7.81 3.79 0.00 2.00 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 2.40 2.38 0.00 29 E 7.82 4.19 0.00 1.90 1.87 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 2.23 2.29 0.00 30 K 8.10 4.37 0.00 1.76 1.65 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.26 7.81 31 A 7.45 3.44 -0.25 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 0.00 0.00 32 F 5.73 4.59 0.00 2.46 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 33 S 7.99 4.73 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 34 P 0.00 4.29 0.00 2.22 2.21 0.00 3.65 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 2.16 2.22 0.00 35 E 8.19 4.14 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 2.30 2.44 0.00 36 V 7.99 3.81 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.92 0.00 0.00 37 I 7.87 3.88 2.05 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 1.60 0.70 1.01 0.00 0.00 38 P 0.00 4.29 0.00 2.20 2.15 0.00 3.83 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 2.30 2.23 0.00 39 M 8.10 4.16 0.00 2.18 2.42 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.75 0.00 40 F 8.85 4.00 0.00 3.40 3.37 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 41 S 8.27 3.83 0.00 4.01 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 42 A 7.87 4.05 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 43 L 7.93 3.99 0.00 1.58 1.70 1.20 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.36 4.17 0.00 3.47 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 45 E 7.19 3.92 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 46 G 8.89 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.72 4.17 1.23 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 0.00 0.00 48 T 8.74 4.23 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 1.25 0.00 0.00 49 P 0.00 4.46 0.00 2.37 2.35 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 50 Q 8.13 3.99 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 51 D 8.11 4.41 0.00 2.89 2.67 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 52 L 8.12 3.90 0.00 1.79 1.35 0.82 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.60 4.44 0.00 3.00 2.95 0.00 0.00 7.03 7.38 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 54 T 7.71 3.91 4.43 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 1.26 0.00 0.00 55 M 8.11 4.29 0.00 1.37 2.10 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.27 0.00 56 L 8.25 4.24 0.00 1.75 1.78 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.37 4.88 0.00 2.85 2.92 0.00 0.00 7.04 8.34 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 58 T 7.63 4.47 4.35 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 1.37 0.00 0.00 59 V 7.47 3.72 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.25 0.00 0.00 60 G 8.57 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 61 G 8.58 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.66 4.29 0.00 3.57 3.75 0.00 5.63 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.33 4.04 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 64 A 8.12 3.99 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 65 A 8.11 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 66 M 8.58 3.97 0.00 2.07 2.20 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 2.76 3.07 0.00 67 Q 8.37 3.97 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 68 M 8.10 4.07 0.00 2.09 2.18 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 2.62 2.53 0.00 69 L 8.09 3.85 0.00 1.66 1.74 0.78 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.17 3.90 0.00 1.89 2.05 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 71 E 8.23 3.94 0.00 2.21 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 2.47 0.00 72 T 8.02 3.81 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 1.20 0.00 0.00 73 I 7.95 3.81 2.14 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 1.87 0.87 1.23 0.00 0.00 74 N 8.42 4.26 0.00 2.82 2.83 0.00 0.00 6.69 8.44 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 75 E 8.32 3.83 0.00 1.95 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 2.20 2.27 0.00 76 E 8.05 3.54 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 2.25 2.20 0.00 77 A 7.49 3.40 1.23 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 0.00 0.00 78 A 7.79 3.97 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 0.00 0.00 0.00 0.00 0.00 79 E 8.15 3.88 0.00 1.96 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 2.36 2.38 0.00 80 W 8.41 4.18 0.00 3.70 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 7.88 4.46 0.00 2.89 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.52 4.00 0.00 1.72 2.04 0.00 3.21 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 83 L 7.67 4.26 0.00 1.37 1.37 0.84 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 84 H 7.26 4.65 0.00 2.78 3.00 0.00 5.86 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.37 0.00 1.97 1.94 0.00 3.50 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.17 0.00 86 V 7.77 4.51 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 0.81 0.00 0.00 0.95 0.00 0.00 87 H 8.30 4.50 0.00 3.22 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.93 4.21 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 89 G 7.13 4.57 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 0.00 0.00 0.00 90 P 0.00 4.64 0.00 2.23 2.15 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 91 I 8.25 3.95 1.88 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 1.36 0.56 0.90 0.00 0.00 92 E 7.91 4.39 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 2.30 2.25 0.00 93 P 0.00 4.29 0.00 2.18 2.06 0.00 3.88 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 1.99 1.97 0.00 94 G 8.78 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 0.00 0.00 0.00 95 Q 8.98 4.02 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.19 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 96 M 8.93 4.72 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 97 R 8.54 4.17 0.00 2.10 2.04 0.00 3.22 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.05 0.00 98 E 8.64 4.26 0.00 2.01 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 2.34 2.35 0.00 99 P 0.00 3.88 0.00 1.28 0.49 0.00 3.45 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.98 0.00 100 R 9.10 4.74 0.00 1.89 2.07 0.00 3.35 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 101 G 9.98 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.05 4.23 0.00 4.06 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 0.00 103 D 7.83 4.41 0.00 2.68 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 0.00 104 I 7.35 3.25 1.51 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 -0.04 -0.31 0.00 0.00 105 A 7.72 2.58 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 7.68 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 0.00 107 T 7.80 4.17 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 1.20 0.00 0.00 108 T 7.99 4.54 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 1.23 0.00 0.00 109 S 7.81 5.02 0.00 4.17 4.35 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 0.00 110 T 8.65 4.22 4.18 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 1.17 0.00 0.00 111 L 8.31 3.85 0.00 1.70 1.64 0.71 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.92 3.89 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 113 E 7.94 3.29 0.00 1.75 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 1.88 2.06 0.00 114 Q 7.90 4.23 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.55 2.64 0.00 115 I 7.93 3.79 1.80 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 1.46 0.69 0.92 0.00 0.00 116 G 8.14 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 W 8.00 4.45 0.00 3.59 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 M 8.36 4.36 0.00 2.01 2.17 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 2.83 2.57 0.00 119 T 7.43 4.46 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 1.26 0.00 0.00 120 H 7.76 4.29 0.00 3.58 3.49 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.90 4.91 0.00 2.62 2.61 0.00 0.00 7.02 7.69 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 0.00 122 P 0.00 4.63 0.00 2.27 2.07 0.00 3.93 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 2.05 2.03 0.00 123 P 0.00 4.49 0.00 2.10 2.25 0.00 3.73 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 124 I 8.23 4.29 1.96 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 1.37 0.62 0.74 0.00 0.00 125 P 0.00 4.60 0.00 2.21 2.20 0.00 3.70 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 126 V 7.69 3.36 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 0.42 0.00 0.00 1.08 0.00 0.00 127 G 7.82 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 7.97 3.89 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 2.34 2.30 0.00 129 I 7.74 3.41 1.09 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.94 -0.40 0.00 0.00 130 Y 7.40 3.45 0.00 2.74 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.16 3.92 0.00 1.91 1.89 0.00 1.68 0.00 0.00 1.44 0.00 0.00 2.78 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.36 1.47 7.81 132 R 7.94 3.94 0.00 1.91 2.11 0.00 3.18 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.80 0.00 133 W 8.03 4.46 0.00 3.75 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 0.00 134 I 8.20 3.69 1.86 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.52 0.22 0.00 0.00 135 I 8.43 3.69 2.07 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 1.65 0.94 1.00 0.00 0.00 136 L 8.49 4.12 0.00 1.94 1.77 1.06 0.90 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 0.00 137 G 8.17 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.18 3.87 0.00 1.75 1.69 0.59 0.27 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 0.00 139 N 8.36 4.38 0.00 2.86 2.91 0.00 0.00 7.01 7.25 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 0.00 140 K 7.62 4.12 0.00 1.84 1.90 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 141 I 7.86 3.81 1.72 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 1.46 0.44 0.98 0.00 0.00 142 V 7.98 4.43 2.15 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 1.44 0.00 0.00 1.02 0.00 0.00 143 R 7.63 4.08 0.00 1.78 2.01 0.00 3.34 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.83 0.00 144 M 8.14 4.14 0.00 1.52 2.06 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 145 Y 8.16 4.34 0.00 3.22 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