NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2017 8.1727 122.0593 56.3351 34.1780 174.1318 2 V 4.3004 8.1940 126.7356 61.1427 32.0303 173.7083 3 Y 4.2744 9.2251 127.0817 57.6578 39.2928 175.0241 4 D 4.3660 8.8909 122.3750 53.9687 42.3755 177.1328 5 R 3.1867 8.5050 124.8941 59.8567 30.0119 179.6010 6 C 4.3727 8.1267 115.4598 59.5346 34.9501 175.4634 7 E 3.8661 8.3371 121.3413 59.1184 29.2214 178.7023 8 L 3.8234 8.1582 120.2465 57.9638 42.1783 178.5660 9 A 4.0394 7.9190 120.7571 55.4463 18.2405 179.9105 10 R 3.8834 8.2791 116.3112 59.2675 30.2524 179.1493 11 A 3.9873 7.9448 120.3529 55.0327 18.3537 179.7835 12 L 3.8177 7.9906 117.5140 57.7363 41.5825 179.5963 13 K 3.9078 8.1766 119.3731 59.5204 31.9402 178.6759 14 A 4.0181 8.0175 119.9450 54.7389 18.2907 178.7420 15 S 4.5464 7.5497 110.7890 57.9018 63.0634 174.7078 16 G 3.8978 7.5874 109.4145 46.7436 0.0000 175.3475 17 M 3.7281 7.9478 121.5824 56.9054 32.1031 175.7593 18 D 4.5531 7.9086 117.8347 56.7508 40.9696 175.7157 19 G 3.9780 9.2553 116.0207 45.1212 0.0000 171.2713 20 Y 4.0408 8.3763 122.0449 58.3873 38.9214 175.8147 21 A 3.6025 8.7756 130.7768 53.2709 16.2494 177.2000 22 G 3.7678 8.1935 104.5142 47.5370 0.0000 174.1728 23 N 4.6664 8.0516 118.3965 50.7631 39.2019 175.0706 24 S 4.7797 8.3413 118.3947 57.6754 64.2903 174.8395 25 L 4.1838 9.2633 124.2776 58.6079 41.7371 177.8167 26 P 4.4260 0.0000 0.0000 65.7277 31.1358 178.3381 27 N 4.3718 8.0817 115.0907 56.1719 38.3103 177.4828 28 W 4.1248 7.7869 119.7995 59.6667 29.2703 178.7312 29 V 3.7811 8.0762 118.3460 66.0718 31.1479 177.2134 30 C 3.4345 8.0722 118.4910 59.3503 43.6387 175.6051 31 L 4.0788 7.9651 121.4379 58.9210 39.9390 179.4459 32 S 4.3533 7.9700 117.3730 60.6708 62.7791 176.1621 33 K 2.5546 7.9097 122.1764 59.3173 31.6073 178.8673 34 W 4.0721 7.5650 117.3915 59.4677 29.0531 178.4084 35 E 4.3571 8.4697 118.4064 58.7042 29.5909 177.8817 36 S 4.5736 7.9736 109.9294 56.8532 64.2352 174.2113 37 S 3.4729 8.3991 115.6286 60.0920 60.5697 171.7711 38 Y 3.6700 7.3241 113.9888 58.8703 35.9337 168.5648 39 N 5.2660 7.7433 119.5365 51.8787 39.8181 175.9191 40 T 4.0068 8.6520 117.2025 64.3206 68.9388 175.5218 41 Q 4.4999 7.9770 118.7993 55.4750 29.2008 175.4394 42 A 4.3576 7.8124 121.9306 52.3175 19.3988 177.2178 43 T 4.9288 8.3194 111.0933 59.9922 72.4074 173.1973 44 N 4.7668 8.5503 122.1312 52.1761 42.0183 173.1956 45 R 4.5463 8.6469 127.1454 56.1237 31.3178 175.1712 46 N 5.0908 9.2069 123.0034 51.4616 40.9431 176.0360 47 T 3.8191 8.7775 111.5836 64.9077 68.5473 174.5471 48 D 4.5092 7.9835 118.4494 53.3501 39.8993 176.9049 49 G 3.9603 8.4141 109.4486 45.0965 0.0000 173.9564 50 S 4.7297 8.3478 114.9006 57.8244 65.5269 173.2613 51 T 5.0087 9.0618 116.2114 61.9173 72.9086 172.8854 52 D 5.3178 8.6746 124.7217 53.4786 43.0649 175.1530 53 Y 4.9850 9.1146 120.2828 57.6074 41.7430 176.8557 54 G 4.1226 9.0016 111.7198 45.5730 0.0000 173.2369 55 I 3.5249 8.1462 116.9725 63.6324 37.9333 177.9675 56 F 4.9006 7.9002 115.5406 56.8481 39.9660 175.2626 57 Q 3.5678 7.7381 119.1385 57.0989 26.5979 173.9940 58 I 4.1792 8.1848 119.2867 61.2198 39.2842 176.7254 59 N 5.5175 9.1215 125.9184 53.2595 39.9519 175.5721 60 S 4.6236 9.1792 120.3567 60.3127 63.4247 175.3352 61 R 3.7447 8.7233 122.3766 58.8257 30.4403 177.3889 62 Y 4.1858 7.7893 114.9482 58.0766 40.5903 177.6937 63 W 5.0973 8.2874 117.8759 57.4288 31.3670 173.8527 64 C 5.8757 8.1307 111.7230 52.8949 46.3766 172.8178 65 D 4.9739 9.0393 119.8247 52.6283 42.2206 176.0842 66 D 4.7698 8.8064 124.0867 52.4120 40.0638 177.0642 67 G 3.9576 8.3623 107.0179 46.3463 0.0000 174.4776 68 R 4.6170 8.1564 113.1773 55.6431 30.4846 174.6255 69 T 4.4802 7.7931 115.2980 61.1292 69.9940 172.5073 70 P 4.1132 0.0000 0.0000 63.7178 32.1354 176.7586 71 G 3.7930 8.5402 112.8734 46.2228 0.0000 172.7670 72 A 5.0471 7.3615 118.6314 50.5546 20.5102 177.7341 73 K 4.2050 8.3100 119.1298 55.4132 34.8233 176.0081 74 N 4.1546 8.0273 116.6156 54.6330 36.9589 174.8271 75 V 3.6639 8.2410 119.5532 66.2301 32.2715 176.2460 76 C 4.5519 8.6807 115.6131 57.5267 40.2466 173.8816 77 G 3.8713 7.9988 107.7033 46.4282 0.0000 173.0938 78 I 4.6864 7.6107 111.3123 58.3300 41.2219 174.0676 79 R 4.6217 8.2982 119.1368 55.5490 30.8713 177.7482 80 C 4.1223 8.6937 119.8147 59.8195 34.2150 176.5600 81 S 3.8476 7.9361 115.4838 61.6056 62.0213 176.2506 82 Q 4.1758 7.7166 119.5191 57.6957 28.8670 177.3064 83 L 4.4027 8.0669 119.5529 55.2635 41.7636 177.4964 84 L 5.5856 7.7023 117.2656 53.8418 42.3009 176.7846 85 T 4.3016 7.5983 109.0990 61.0234 69.7162 174.5244 86 D 4.4847 8.5633 122.3633 57.2034 41.0952 176.7518 87 D 4.5307 7.9717 118.9618 53.9909 41.5138 176.2533 88 L 4.2615 8.5261 125.9816 55.6189 41.9546 178.5574 89 T 3.8189 7.8344 116.9581 67.0610 68.4286 176.2462 90 V 3.6034 7.7628 118.8993 65.7060 31.5988 177.6499 91 A 4.1015 7.9869 120.1328 55.3639 18.2805 179.5623 92 I 3.5446 8.3367 118.6440 64.4085 36.9892 178.5384 93 R 3.7203 7.8637 119.6065 59.6243 29.7649 177.7756 94 C 4.2333 8.4717 118.0826 59.3707 42.6633 175.1258 95 A 3.9621 8.0572 122.5686 55.2808 17.5932 179.6781 96 K 3.5149 7.5162 115.7105 59.4681 32.3784 179.2641 97 R 4.0619 7.5233 118.9155 59.1885 29.9832 178.5835 98 V 2.5040 7.5554 118.7384 65.7749 31.4475 177.9107 99 V 4.0284 7.9597 111.0554 62.6435 31.5095 177.6705 100 L 4.2507 7.6613 119.2304 56.2820 42.1164 177.1913 101 D 4.6789 7.7942 118.8254 53.1539 41.4104 175.3816 102 P 4.3377 0.0000 0.0000 65.9806 31.4680 177.7306 103 N 4.4725 8.2567 114.1097 53.4368 39.7995 176.2662 104 G 3.7780 8.2198 108.6464 47.2514 0.0000 175.5060 105 I 3.8239 7.8494 119.4148 62.9286 38.0970 177.8029 106 G 3.9437 7.3952 106.9277 46.9439 0.0000 174.5052 107 A 3.9280 7.6207 123.3334 53.9800 18.8617 178.5103 108 W 4.5436 8.2229 117.3754 55.5540 30.1396 177.3238 109 V 3.6944 8.6302 124.0702 66.1969 31.1783 177.7887 110 A 4.1475 8.3443 120.4863 54.6494 18.1728 179.4796 111 W 3.9924 8.4122 126.7683 60.7828 30.6962 178.1555 112 R 3.7787 7.9462 116.3597 59.0407 29.5341 178.5594 113 L 3.8718 7.5080 118.9110 57.8986 42.4065 177.9182 114 H 4.2267 7.5227 113.3382 55.9875 29.5270 175.1796 115 C 4.5326 7.2087 117.1626 57.5930 42.4246 174.1772 116 Q 3.1634 6.8823 120.2818 57.1553 28.6306 176.1980 117 N 4.1713 8.5357 120.0763 53.8054 36.4920 174.1116 118 Q 4.2226 7.4636 117.4601 54.7351 30.1146 174.8024 119 D 4.6504 8.3950 118.7153 53.5704 40.8249 175.3032 120 L 4.9919 8.3550 125.9008 54.6870 42.5938 178.6903 121 R 4.0084 8.3106 120.8516 59.5002 30.3988 178.9814 122 S 4.1306 8.1857 111.6768 61.4465 62.8661 175.7576 123 Y 4.2122 8.1332 117.5649 59.7284 38.0044 176.5343 124 V 4.3563 7.7911 110.9115 60.4706 32.9957 175.2763 125 A 4.1799 7.4917 123.8255 53.5015 18.4462 178.2141 126 G 3.9489 8.9439 110.5577 46.0332 0.0000 174.8067 127 C 4.4068 8.1541 117.0888 56.6370 40.8186 173.8098 128 G 3.8703 8.1835 106.8919 46.4799 0.0000 173.9883 129 V 4.0341 7.6700 117.1218 61.3261 32.7194 175.6865 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 K 8.17 4.20 0.00 1.94 1.79 0.00 1.38 0.00 0.00 1.32 0.00 0.00 2.23 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.84 1.14 7.81 2 V 8.19 4.30 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 0.91 0.00 0.00 0.95 0.00 0.00 3 Y 9.23 4.27 0.00 2.81 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 4 D 8.89 4.37 0.00 2.76 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.50 3.19 0.00 1.65 1.79 0.00 3.51 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 6 C 8.13 4.37 0.00 3.11 3.10 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 7 E 8.34 3.87 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.34 0.00 8 L 8.16 3.82 0.00 1.67 1.62 0.47 0.91 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 9 A 7.92 4.04 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.28 3.88 0.00 1.88 2.00 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 11 A 7.94 3.99 1.36 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 0.00 0.00 0.00 12 L 7.99 3.82 0.00 1.84 1.63 1.04 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.18 3.91 0.00 1.98 2.04 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.51 7.81 14 A 8.02 4.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.55 4.55 0.00 3.75 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 16 G 7.59 3.90 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 0.00 0.00 0.00 17 M 7.95 3.73 0.00 0.99 1.88 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.31 0.00 18 D 7.91 4.55 0.00 2.67 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 19 G 9.26 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 20 Y 8.38 4.04 0.00 3.25 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 21 A 8.78 3.60 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 22 G 8.19 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 23 N 8.05 4.67 0.00 3.10 2.13 0.00 0.00 6.79 6.85 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 24 S 8.34 4.78 0.00 4.07 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 9.26 4.18 0.00 2.01 1.85 1.03 1.49 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 26 P 0.00 4.43 0.00 2.29 2.44 0.00 3.65 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 27 N 8.08 4.37 0.00 2.65 2.44 0.00 0.00 6.90 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 W 7.79 4.12 0.00 3.53 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 29 V 8.08 3.78 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 1.35 0.00 0.00 1.11 0.00 0.00 30 C 8.07 3.43 0.00 1.96 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 31 L 7.97 4.08 0.00 2.07 2.09 0.42 0.18 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 32 S 7.97 4.35 0.00 4.15 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 33 K 7.91 2.55 0.00 1.76 1.57 0.00 1.46 0.00 0.00 0.61 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.61 1.17 7.81 34 W 7.56 4.07 0.00 3.44 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 35 E 8.47 4.36 0.00 2.11 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 0.00 2.67 2.68 0.00 36 S 7.97 4.57 0.00 4.10 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.40 3.47 0.00 3.98 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 38 Y 7.32 3.67 0.00 3.19 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 39 N 7.74 5.27 0.00 2.87 2.87 0.00 0.00 6.98 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.65 4.01 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 1.41 0.00 0.00 41 Q 7.98 4.50 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.53 2.32 0.00 42 A 7.81 4.36 1.32 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 0.00 0.00 43 T 8.32 4.93 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 1.19 0.00 0.00 44 N 8.55 4.77 0.00 2.87 2.72 0.00 0.00 6.77 7.40 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 45 R 8.65 4.55 0.00 1.83 1.78 0.00 3.27 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 46 N 9.21 5.09 0.00 2.89 2.71 0.00 0.00 6.64 6.91 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 47 T 8.78 3.82 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 1.22 0.00 0.00 48 D 7.98 4.51 0.00 2.79 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 49 G 8.41 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 50 S 8.35 4.73 0.00 3.92 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 51 T 9.06 5.01 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 0.66 0.00 0.00 52 D 8.67 5.32 0.00 2.69 2.78 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 53 Y 9.11 4.99 0.00 2.97 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 54 G 9.00 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 0.00 0.00 0.00 55 I 8.15 3.52 1.60 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.20 -0.25 0.00 0.00 56 F 7.90 4.90 0.00 3.32 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 57 Q 7.74 3.57 0.00 2.47 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.83 0.00 0.00 0.00 0.00 0.00 2.55 2.72 0.00 58 I 8.18 4.18 2.11 0.00 0.00 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 1.24 1.16 1.09 0.00 0.00 59 N 9.12 5.52 0.00 3.06 3.03 0.00 0.00 6.98 7.16 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 60 S 9.18 4.62 0.00 4.02 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 61 R 8.72 3.74 0.00 1.56 0.73 0.00 2.81 0.00 0.00 2.89 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.30 0.00 62 Y 7.79 4.19 0.00 1.54 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 0.00 0.00 0.00 63 W 8.29 5.10 0.00 3.56 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 C 8.13 5.88 0.00 2.89 3.10 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 65 D 9.04 4.97 0.00 2.78 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 66 D 8.81 4.77 0.00 2.83 2.56 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 67 G 8.36 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 68 R 8.16 4.62 0.00 1.87 1.97 0.00 3.07 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 69 T 7.79 4.48 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 1.15 0.00 0.00 70 P 0.00 4.11 0.00 2.12 2.05 0.00 3.62 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 71 G 8.54 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.36 5.05 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 73 K 8.31 4.21 0.00 1.57 1.74 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.28 1.38 7.81 74 N 8.03 4.15 0.00 2.89 2.74 0.00 0.00 6.88 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 75 V 8.24 3.66 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 1.14 0.00 0.00 0.75 0.00 0.00 76 C 8.68 4.55 0.00 3.35 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 77 G 8.00 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 78 I 7.61 4.69 1.98 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 1.48 1.26 0.98 0.00 0.00 79 R 8.30 4.62 0.00 1.78 1.81 0.00 3.26 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 80 C 8.69 4.12 0.00 2.11 1.36 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 0.00 81 S 7.94 3.85 0.00 4.03 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 82 Q 7.72 4.18 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 83 L 8.07 4.40 0.00 1.92 1.81 1.05 0.89 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 84 L 7.70 5.59 0.00 1.83 1.74 1.07 0.95 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 85 T 7.60 4.30 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 86 D 8.56 4.48 0.00 2.71 2.78 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 87 D 7.97 4.53 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.53 4.26 0.00 1.70 1.60 0.72 0.26 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 89 T 7.83 3.82 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 1.19 0.00 0.00 90 V 7.76 3.60 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 1.14 0.00 0.00 0.93 0.00 0.00 91 A 7.99 4.10 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 92 I 8.34 3.54 1.99 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.74 0.64 0.00 0.00 93 R 7.86 3.72 0.00 1.99 2.06 0.00 3.08 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 94 C 8.47 4.23 0.00 3.06 3.10 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 95 A 8.06 3.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.52 3.51 0.00 1.61 1.36 0.00 1.27 0.00 0.00 1.00 0.00 0.00 2.23 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.30 0.74 7.81 97 R 7.52 4.06 0.00 1.92 2.04 0.00 3.25 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.87 0.00 98 V 7.56 2.50 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 -0.63 0.00 0.00 99 V 7.96 4.03 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 1.06 0.00 0.00 1.43 0.00 0.00 100 L 7.66 4.25 0.00 1.88 1.78 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.79 4.68 0.00 3.06 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 0.00 102 P 0.00 4.34 0.00 2.03 2.13 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 103 N 8.26 4.47 0.00 2.79 2.82 0.00 0.00 7.08 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 0.00 104 G 8.22 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 0.00 0.00 0.00 105 I 7.85 3.82 1.14 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.52 -0.76 0.00 0.00 106 G 7.40 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 A 7.62 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 W 8.22 4.54 0.00 3.71 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 0.00 109 V 8.63 3.69 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 1.10 0.00 0.00 1.00 0.00 0.00 110 A 8.34 4.15 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 0.00 0.00 0.00 0.00 0.00 111 W 8.41 3.99 0.00 3.40 3.47 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 0.00 112 R 7.95 3.78 0.00 2.10 2.00 0.00 3.34 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 113 L 7.51 3.87 0.00 1.68 1.16 0.81 0.96 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 0.00 114 H 7.52 4.23 0.00 2.31 1.86 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 C 7.21 4.53 0.00 2.10 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 0.00 116 Q 6.88 3.16 0.00 0.93 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.06 0.00 0.00 0.00 0.00 0.00 2.07 1.93 0.00 117 N 8.54 4.17 0.00 2.77 2.86 0.00 0.00 7.05 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 0.00 118 Q 7.46 4.22 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 119 D 8.39 4.65 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 0.00 120 L 8.36 4.99 0.00 1.87 1.86 0.96 1.04 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 0.00 121 R 8.31 4.01 0.00 2.02 2.03 0.00 3.33 0.00 0.00 3.42 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 122 S 8.19 4.13 0.00 3.69 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 0.00 123 Y 8.13 4.21 0.00 3.23 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 0.00 124 V 7.79 4.36 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 0.97 0.00 0.00 1.02 0.00 0.00 125 A 7.49 4.18 1.32 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 0.00 0.00 126 G 8.94 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 0.00 127 C 8.15 4.41 0.00 3.13 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 0.00 128 G 8.18 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 0.00 129 V 7.67 4.03 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 0.74 0.00 0.00 0.96 0.00 0.00