NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2259 8.1727 122.0611 56.3266 34.0444 173.9571 2 V 4.4713 8.3248 127.8647 61.1701 31.9321 174.7912 3 F 4.2847 9.4601 128.0523 57.3864 40.1906 175.4264 4 G 3.8805 9.2257 109.6362 45.6955 0.0000 175.0436 5 R 3.3220 8.6391 119.2997 59.5490 30.0318 178.4340 6 C 4.1397 7.9478 115.9965 62.5567 28.3079 175.2662 7 E 3.9517 8.2190 120.5620 59.4083 29.0628 178.6819 8 L 3.6184 8.1349 119.9419 57.8043 42.1226 178.3770 9 A 3.9194 8.1448 120.9599 55.3460 18.2736 179.1344 10 A 3.9087 8.2240 119.0320 55.6756 18.4640 179.8117 11 A 3.9709 7.8485 118.6436 55.3402 18.4380 179.7560 12 M 3.8608 8.2480 117.7387 58.1518 31.9218 178.7788 13 K 3.8379 8.1169 120.0099 59.5759 32.2814 179.1429 14 R 4.0497 7.5277 114.1460 58.9537 29.3476 177.4304 15 H 4.5210 7.7212 114.6260 55.6595 28.9596 175.7411 16 G 3.8437 8.0696 109.4994 45.8968 0.0000 175.0360 17 L 3.4552 8.0250 121.8906 56.2030 41.6790 176.5744 18 D 4.7683 7.8618 118.4933 54.9306 40.6914 174.9860 19 N 4.4427 9.3964 124.2374 54.0092 38.4016 172.7851 20 Y 4.3466 8.1414 118.6234 59.5327 39.0106 176.4449 21 R 3.6429 9.1122 125.4613 57.1786 27.9290 177.0283 22 G 3.7472 8.3144 103.0303 45.7301 0.0000 173.5971 23 Y 4.5966 8.1844 119.0762 55.6586 38.9761 175.8096 24 S 4.8934 8.7670 120.0302 57.9751 64.2621 174.8805 25 L 4.1172 9.4495 125.5263 58.7059 42.1041 179.8480 26 G 3.9198 8.6745 105.1107 47.8332 0.0000 175.0853 27 N 4.5137 8.4170 118.7660 56.4968 38.6193 177.4355 28 W 3.7779 8.1221 119.8480 59.2512 29.0867 179.0193 29 V 3.5910 7.8051 117.9692 66.0928 31.0487 178.3776 30 C 2.8954 8.1786 118.2421 59.0366 44.2621 175.2117 31 A 3.9368 8.1011 122.3095 55.3883 17.9499 179.6115 32 A 4.2075 7.7850 120.2733 54.2584 18.2132 179.6302 33 K 2.5866 7.6125 118.3829 59.5636 31.9140 178.9854 34 F 4.2325 7.2261 115.5445 59.7810 38.9593 177.5959 35 E 4.3122 8.2347 118.4848 58.6357 29.8774 177.7060 36 S 4.5331 7.9604 109.1686 56.4843 64.8929 173.2520 37 N 3.9139 8.4926 118.5809 54.7887 37.6824 174.4512 38 F 4.1331 7.9832 111.3755 57.6362 36.8052 174.0186 39 N 5.2137 7.8445 120.9318 52.1851 39.1493 175.9574 40 T 4.0559 9.0564 117.6333 64.2018 69.0141 175.6086 41 Q 4.4424 8.2695 119.4298 55.3301 29.3998 175.3936 42 A 4.1851 7.7054 121.4628 53.1545 19.3213 177.3055 43 T 4.9441 8.3073 117.2771 62.0241 73.0120 173.4058 44 N 4.7242 8.5370 124.0245 52.5115 42.3441 173.4163 45 R 4.5399 8.6132 126.2505 56.0782 31.2021 176.1438 46 N 5.0005 9.2501 121.7701 51.6894 40.8003 176.5312 47 T 3.9304 8.5221 110.7081 64.4293 69.0590 175.0233 48 D 4.4536 7.9675 119.4640 53.6119 39.8591 176.9986 49 G 3.9116 7.9809 108.9052 45.0547 0.0000 173.8801 50 S 4.5954 8.1307 115.0178 58.1543 65.2558 173.1125 51 T 4.9714 8.8231 115.7746 61.8104 72.5581 173.0978 52 D 5.3074 9.3284 125.5449 53.5697 42.8624 175.2355 53 Y 4.9810 8.9552 119.9997 57.5492 42.1936 176.9996 54 G 4.3211 8.7722 110.5417 45.3237 0.0000 173.8910 55 I 4.3853 8.1945 109.7809 62.6031 37.7369 177.1819 56 L 4.7157 7.8384 118.5711 53.5360 42.7486 176.4333 57 Q 3.5091 7.7439 115.8619 57.1860 26.6246 174.2086 58 I 4.1584 8.1798 119.2138 61.1773 39.3191 176.8256 59 N 5.3327 9.0986 125.5153 53.2288 40.1736 175.3197 60 S 4.7248 8.9293 119.5330 59.6710 63.4917 175.2064 61 R 3.6801 8.9385 123.2043 58.7754 30.3498 178.0717 62 W 4.3251 8.1504 117.3040 56.8610 31.0647 177.1627 63 W 5.0067 8.2685 116.7809 57.1621 31.5238 173.5071 64 C 5.6980 8.3125 111.5953 53.7202 44.5148 172.8455 65 N 5.0877 9.1265 118.8518 52.0005 40.0393 174.6053 66 D 4.6776 8.8392 124.0238 52.1883 40.6407 176.4197 67 G 3.9762 8.4292 107.5608 46.4644 0.0000 174.7325 68 R 4.4924 8.5937 111.1352 55.9377 31.1362 175.1062 69 T 4.3515 7.7333 115.7567 61.2940 68.5385 172.1932 70 P 4.2177 0.0000 0.0000 63.3843 31.8528 176.9625 71 G 3.7678 8.6173 110.6860 46.5820 0.0000 173.4498 72 S 4.5308 7.8097 113.1753 56.8116 65.3004 172.6773 73 R 4.5674 8.6117 119.4917 54.1234 33.4732 176.0820 74 N 5.0319 8.0342 116.2035 52.0961 37.6800 174.7210 75 L 4.1459 8.9295 121.3857 57.3495 42.3993 178.0312 76 C 4.6023 8.6430 114.0894 56.4682 40.9798 172.8937 77 N 4.2059 7.9461 116.6156 53.9631 36.2841 173.9643 78 I 4.7237 8.1208 109.5294 58.3001 41.3071 173.3104 79 P 4.7656 0.0000 0.0000 62.6129 32.1595 178.5583 80 C 4.2448 8.7706 120.1001 59.4512 39.5178 176.7286 81 S 3.9518 7.8290 115.8477 61.2721 62.3167 176.0327 82 A 3.9571 7.6379 122.8791 54.8095 17.5066 178.8625 83 L 4.3115 7.7433 115.5207 56.0059 41.6231 178.0040 84 L 5.2885 7.6433 117.8345 53.7522 41.2852 176.6880 85 S 4.4662 7.5694 113.7622 57.5711 62.9469 175.1572 86 S 4.3267 8.5515 119.4978 60.3620 63.1089 173.6923 87 D 4.6552 7.3713 118.6904 53.2417 40.4173 176.3848 88 I 3.9541 8.2955 120.5398 61.8916 37.7556 177.2747 89 T 3.4794 7.9758 118.8404 67.1895 68.3349 175.7320 90 A 3.9582 7.8957 121.5544 55.4738 18.4606 179.6985 91 S 4.0433 7.9313 113.0582 61.5491 62.9033 176.9852 92 V 3.2944 7.8723 121.3329 65.8653 31.3491 177.9179 93 N 4.1557 8.0305 116.2273 56.2390 38.2976 176.5001 94 C 4.1377 8.2609 119.6627 59.5990 44.2437 175.1321 95 A 4.1575 7.8451 122.2148 55.4535 18.0224 179.4356 96 K 3.4955 7.6759 116.5877 59.5372 31.9882 179.1497 97 K 3.9072 7.7931 119.1545 59.7349 32.0214 178.6730 98 I 3.0279 7.5696 119.9731 64.1229 37.0198 178.5281 99 V 3.8486 8.1856 119.3960 66.0228 31.2045 178.2017 100 S 4.2657 7.9437 112.2801 61.8426 63.0823 175.6878 101 D 4.6685 8.3193 122.5537 55.0906 41.0285 178.1488 102 G 4.2764 8.6537 105.9775 43.5401 0.0000 175.9611 *104 G 4.0004 9.2070 114.7043 44.2668 0.0000 172.6156 105 M 3.9803 5.8600 122.8688 55.9209 32.7893 178.1913 106 N 4.7249 8.0138 115.7941 55.4356 39.0050 176.0028 107 A 3.8200 7.8776 120.6748 54.3741 18.7367 177.8564 108 W 4.4029 8.1979 117.0155 55.4779 28.9769 177.1765 109 V 3.7109 8.3374 124.5572 65.8493 31.1127 177.4407 110 A 3.9593 7.6804 121.1146 54.7485 18.1742 179.2933 111 W 4.0523 8.3834 126.5170 60.6749 30.5506 178.0174 112 R 3.4563 7.9115 117.2169 59.1720 29.6047 177.7061 113 N 4.4453 7.8935 114.9931 54.8550 38.9290 176.7355 114 R 4.2150 8.0114 117.9546 56.2400 31.7185 176.1453 115 C 4.6683 7.2634 114.3238 57.9161 42.2241 174.1670 116 K 3.5110 6.8718 120.6493 57.5208 31.6990 176.8512 117 G 3.8196 8.8033 113.9230 45.8094 0.0000 172.9969 118 T 4.3673 7.3545 110.1403 60.0641 71.1095 176.2699 119 D 4.7466 8.1897 119.9008 54.6131 37.2559 176.4971 120 V 4.2271 7.7668 115.6091 63.2977 32.5138 177.1439 121 Q 4.3660 8.1828 116.8261 57.2411 28.6443 177.5920 122 A 3.9832 8.0939 123.1335 54.8113 18.1903 179.2599 123 W 4.2160 7.9263 115.6087 58.5103 29.3295 176.7294 124 I 4.5226 7.5356 118.2836 60.4279 38.4006 175.6169 125 R 3.9481 7.6732 118.6581 57.4937 29.3811 177.1847 126 G 3.9126 8.9450 109.9438 45.7322 0.0000 172.9909 127 C 4.2973 7.7236 122.4131 59.8901 28.1257 173.4444 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 4.23 0.00 1.80 1.77 0.00 1.33 0.00 0.00 1.19 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 1.22 7.81 2 V 8.32 4.47 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 0.94 0.00 0.00 0.98 0.00 0.00 3 F 9.46 4.28 0.00 2.91 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 4 G 9.23 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.64 3.32 0.00 2.01 1.97 0.00 3.56 0.00 0.00 3.66 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.06 0.00 6 C 7.95 4.14 0.00 3.01 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 7 E 8.22 3.95 0.00 2.05 2.31 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 2.67 2.43 0.00 8 L 8.13 3.62 0.00 1.58 1.35 0.17 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.14 3.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.22 3.91 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.85 3.97 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 12 M 8.25 3.86 0.00 1.88 2.22 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.32 0.00 13 K 8.12 3.84 0.00 1.81 1.92 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.43 7.81 14 R 7.53 4.05 0.00 1.91 1.99 0.00 3.03 0.00 0.00 3.16 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.47 0.00 15 H 7.72 4.52 0.00 3.13 3.19 0.00 5.68 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.07 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 17 L 8.02 3.46 0.00 1.31 0.50 0.26 -1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.86 4.77 0.00 2.65 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 19 N 9.40 4.44 0.00 3.11 2.94 0.00 0.00 6.40 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 20 Y 8.14 4.35 0.00 3.22 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 9.11 3.64 0.00 1.94 1.99 0.00 3.41 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.83 0.00 22 G 8.31 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 8.18 4.60 0.00 3.36 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.77 4.89 0.00 4.13 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 25 L 9.45 4.12 0.00 2.01 1.87 0.94 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.67 3.92 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 0.00 0.00 0.00 27 N 8.42 4.51 0.00 2.75 2.64 0.00 0.00 6.96 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 28 W 8.12 3.78 0.00 3.38 3.02 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 29 V 7.81 3.59 2.34 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 1.20 0.00 0.00 1.03 0.00 0.00 30 C 8.18 2.90 0.00 2.45 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 31 A 8.10 3.94 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 32 A 7.78 4.21 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 33 K 7.61 2.59 0.00 1.17 1.11 0.00 0.61 0.00 0.00 0.84 0.00 0.00 2.85 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.53 0.21 7.81 34 F 7.23 4.23 0.00 3.04 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 35 E 8.23 4.31 0.00 2.11 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 0.00 2.64 2.69 0.00 36 S 7.96 4.53 0.00 4.19 4.17 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 37 N 8.49 3.91 0.00 2.66 2.79 0.00 0.00 7.21 7.32 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 38 F 7.98 4.13 0.00 3.37 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 39 N 7.84 5.21 0.00 2.90 2.94 0.00 0.00 6.94 6.49 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 40 T 9.06 4.06 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 41 Q 8.27 4.44 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 42 A 7.71 4.19 1.33 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 0.00 0.00 0.00 43 T 8.31 4.94 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 1.12 0.00 0.00 44 N 8.54 4.72 0.00 2.79 2.57 0.00 0.00 7.08 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 45 R 8.61 4.54 0.00 1.71 1.82 0.00 3.39 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 46 N 9.25 5.00 0.00 2.78 2.71 0.00 0.00 6.39 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 8.52 3.93 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 1.21 0.00 0.00 48 D 7.97 4.45 0.00 2.75 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 49 G 7.98 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 50 S 8.13 4.60 0.00 3.92 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 51 T 8.82 4.97 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 0.64 0.00 0.00 52 D 9.33 5.31 0.00 2.49 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 53 Y 8.96 4.98 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 54 G 8.77 4.32 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 0.00 55 I 8.19 4.39 1.88 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.66 0.97 0.00 0.00 56 L 7.84 4.72 0.00 1.74 1.94 0.70 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.74 3.51 0.00 2.40 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.35 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 58 I 8.18 4.16 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.98 0.99 0.00 0.00 59 N 9.10 5.33 0.00 2.96 3.06 0.00 0.00 6.98 7.14 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 60 S 8.93 4.72 0.00 4.06 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 0.00 61 R 8.94 3.68 0.00 1.57 1.87 0.00 2.55 0.00 0.00 2.92 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.50 0.00 62 W 8.15 4.33 0.00 1.94 1.79 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 63 W 8.27 5.01 0.00 3.54 3.24 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 64 C 8.31 5.70 0.00 3.04 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 9.13 5.09 0.00 2.82 2.68 0.00 0.00 7.14 8.08 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 66 D 8.84 4.68 0.00 2.79 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.43 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 68 R 8.59 4.49 0.00 1.89 1.96 0.00 3.08 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.92 0.00 69 T 7.73 4.35 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 1.12 0.00 0.00 70 P 0.00 4.22 0.00 1.99 1.95 0.00 3.73 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 1.99 2.05 0.00 71 G 8.62 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 72 S 7.81 4.53 0.00 4.06 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.61 4.57 0.00 1.81 1.87 0.00 3.26 0.00 0.00 3.07 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 74 N 8.03 5.03 0.00 2.79 2.65 0.00 0.00 6.88 6.66 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 75 L 8.93 4.15 0.00 1.87 1.92 0.47 0.72 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 76 C 8.64 4.60 0.00 3.22 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 7.95 4.21 0.00 2.92 2.88 0.00 0.00 6.68 6.88 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 78 I 8.12 4.72 1.87 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 1.35 0.92 0.00 0.00 79 P 0.00 4.77 0.00 2.14 1.96 0.00 3.57 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 2.08 2.08 0.00 80 C 8.77 4.24 0.00 2.09 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 81 S 7.83 3.95 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 82 A 7.64 3.96 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 83 L 7.74 4.31 0.00 2.08 1.81 0.93 0.39 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 84 L 7.64 5.29 0.00 1.79 1.76 1.08 1.30 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 85 S 7.57 4.47 0.00 4.01 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 86 S 8.55 4.33 0.00 4.01 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 87 D 7.37 4.66 0.00 2.68 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 88 I 8.30 3.95 1.64 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.55 0.49 0.00 0.00 89 T 7.98 3.48 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 1.15 0.00 0.00 90 A 7.90 3.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.93 4.04 0.00 3.93 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 92 V 7.87 3.29 1.86 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 0.62 0.00 0.00 0.66 0.00 0.00 93 N 8.03 4.16 0.00 2.71 2.78 0.00 0.00 6.69 7.14 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 94 C 8.26 4.14 0.00 3.10 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.85 4.16 1.39 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 0.00 0.00 0.00 96 K 7.68 3.50 0.00 1.68 1.54 0.00 1.27 0.00 0.00 1.09 0.00 0.00 2.31 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.30 0.76 7.81 97 K 7.79 3.91 0.00 1.92 1.96 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.43 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.66 1.69 7.81 98 I 7.57 3.03 1.73 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.20 0.00 0.00 99 V 8.19 3.85 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 1.27 0.00 0.00 1.35 0.00 0.00 100 S 7.94 4.27 0.00 4.18 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 0.00 101 D 8.32 4.67 0.00 3.01 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 0.00 102 G 8.65 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 *104 G 9.21 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 0.00 105 M 5.86 3.98 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.00 106 N 8.01 4.72 0.00 2.79 2.97 0.00 0.00 6.93 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 0.00 107 A 7.88 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 108 W 8.20 4.40 0.00 3.56 3.14 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 0.00 109 V 8.34 3.71 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.96 0.00 0.00 110 A 7.68 3.96 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 0.00 0.00 111 W 8.38 4.05 0.00 3.36 3.48 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 0.00 112 R 7.91 3.46 0.00 2.06 2.03 0.00 3.40 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 113 N 7.89 4.45 0.00 2.64 2.74 0.00 0.00 6.94 7.70 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 0.00 114 R 8.01 4.22 0.00 0.90 1.32 0.00 2.97 0.00 0.00 2.79 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.08 0.00 115 C 7.26 4.67 0.00 2.37 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 0.00 116 K 6.87 3.51 0.00 0.79 1.17 0.00 1.58 0.00 0.00 1.49 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.18 1.05 7.81 117 G 8.80 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.35 4.37 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 119 D 8.19 4.75 0.00 2.78 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 V 7.77 4.23 2.35 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 1.12 0.00 0.00 1.10 0.00 0.00 121 Q 8.18 4.37 0.00 2.12 2.20 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 2.54 2.44 0.00 122 A 8.09 3.98 1.21 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 0.00 123 W 7.93 4.22 0.00 3.70 3.52 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 0.00 124 I 7.54 4.52 2.15 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 1.53 1.89 0.97 0.00 0.00 125 R 7.67 3.95 0.00 1.92 1.92 0.00 3.06 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.54 0.00 126 G 8.94 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 0.00 127 C 7.72 4.30 0.00 3.00 2.86 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 * Residues marked with a * may have inaccurate shift predictions.