NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2243 8.3101 119.9971 56.4280 33.0989 175.2715 3 A 4.1028 8.3553 127.2950 50.2614 19.1736 171.3523 4 V 4.4393 7.8367 117.8875 60.7788 34.7762 171.1543 5 I 4.5951 8.1532 120.5030 59.1533 40.9830 174.3620 6 A 4.7959 8.3556 127.6903 50.2963 22.0598 175.2564 7 I 4.7230 8.0653 113.0712 59.2927 40.8942 174.1624 8 H 4.9295 8.2402 115.2123 54.2416 31.3410 173.1465 9 G 3.7722 8.7269 107.9644 45.3058 0.0000 173.4537 10 G 4.0357 8.6214 106.6731 44.8944 0.0000 173.5584 11 A 4.6890 8.1860 124.6479 51.1331 21.6554 175.2213 12 G 4.2298 9.0542 110.1642 46.1255 0.0000 174.9790 13 A 4.6612 7.6536 120.8206 51.9561 19.5812 176.7026 14 I 4.4613 7.6190 119.9520 60.8935 40.5453 175.4844 15 S 4.4251 8.3513 118.7445 56.2921 64.5593 173.9523 16 R 3.8206 8.9040 128.8573 59.4749 29.9506 178.3021 17 A 4.0120 7.5875 118.5202 54.5909 18.3915 177.9510 18 Q 4.4146 8.0236 112.4005 56.1559 29.3923 175.4855 19 M 4.7614 7.4017 118.3075 53.9887 34.0613 175.8572 20 S 4.8756 8.4599 115.2737 56.3448 66.9367 175.0587 21 L 4.5141 8.2537 125.4071 57.9860 41.8536 179.3119 22 Q 3.9990 8.0547 117.5365 58.9424 28.7458 178.4851 23 Q 4.0367 8.1000 118.9712 59.1999 28.9427 178.8823 24 E 4.1067 8.5576 119.6942 59.5623 29.4447 179.4618 25 L 4.0623 8.3119 119.2422 57.8101 41.6771 179.6603 26 R 3.8592 8.0474 117.9707 59.6060 29.9437 178.7175 27 Y 3.9840 7.9437 116.1674 61.1273 37.7935 178.6321 28 I 3.8112 8.2792 121.1219 64.3798 37.2202 178.0799 29 E 3.9339 8.5769 120.1626 59.1779 29.4558 178.8229 30 A 4.0528 8.1662 120.7634 55.2748 18.5313 179.6173 31 L 4.0325 8.5213 117.9668 57.9233 41.5895 179.9512 32 S 4.1216 8.5252 115.2637 61.7066 62.8745 176.6812 33 A 4.0086 8.1224 123.3203 55.1727 18.1629 179.8273 34 I 3.7543 7.8835 118.7017 64.3908 37.1669 179.0329 35 V 3.6388 7.9672 120.1742 64.6536 31.2068 177.9754 36 E 3.9110 8.4256 120.1100 59.4309 29.4517 178.8647 37 T 3.9790 8.0803 115.8329 66.6998 68.5097 176.8372 38 G 3.5808 8.0750 107.3698 47.6829 0.0000 175.7773 39 Q 3.9980 8.4157 120.9001 58.7271 28.7983 178.7844 40 K 3.8604 8.1345 120.4838 59.8826 32.1291 178.6461 41 M 4.0617 7.9614 118.7912 58.2943 31.8650 178.7021 42 L 3.9743 8.0326 119.3128 57.8454 41.6458 179.4279 43 E 4.0713 8.2568 116.1064 59.2453 29.4580 178.2004 44 A 4.3057 7.8434 118.9063 52.1446 18.6066 178.0453 45 G 3.8786 8.2249 106.2932 45.3219 0.0000 174.1574 46 E 4.1057 7.7846 118.9645 55.8855 30.1870 177.8473 47 S 4.3648 8.3971 116.4736 58.0020 65.2177 175.2148 48 A 3.9707 8.4823 124.7071 55.3172 18.1443 179.9222 49 L 3.8835 7.8075 118.2415 58.5097 42.2114 178.8420 50 D 4.3819 8.1402 118.9021 57.1100 40.6042 178.9872 51 V 3.5550 7.9399 118.8565 66.2513 31.6520 178.6712 52 V 3.6205 8.1186 112.3943 64.3582 31.2495 178.8241 53 T 3.8406 7.9301 115.7618 66.5791 68.3049 176.2191 54 E 3.8870 8.4390 121.1713 59.1555 29.6940 178.5148 55 A 3.9445 8.2124 121.0884 55.4393 18.4791 179.9007 56 V 3.5230 7.8619 116.5683 65.8021 31.4487 178.0542 57 R 4.0926 8.1793 118.8209 59.5594 29.8202 178.5441 58 L 4.0204 8.1504 118.7591 57.7503 41.3897 179.4784 59 L 4.0534 7.8355 118.1549 57.5954 41.6712 179.0992 60 E 4.4001 8.6023 120.3858 59.1274 29.2526 179.3147 61 E 4.1931 8.2805 117.3877 58.1416 29.8489 177.1743 62 C 4.2984 8.1218 120.6191 58.5409 31.7775 172.3721 63 P 4.7750 0.0000 0.0000 64.0479 31.1796 178.3088 64 L 3.9371 7.6043 117.4110 56.1157 41.7164 176.8164 65 F 5.0868 7.4006 116.6275 55.4130 41.4293 176.3258 66 N 4.8551 8.8469 123.4860 51.7652 36.5962 173.2355 67 A 4.3047 8.1209 120.1165 52.1177 23.4831 176.7382 68 G 3.7598 8.0541 110.7116 46.2958 0.0000 175.0504 69 I 4.1104 8.5451 125.5338 62.7743 37.2186 176.7192 70 G 4.0935 9.1128 112.6494 46.2763 0.0000 173.4484 71 A 4.1861 7.4226 122.1703 51.7924 18.7692 178.5625 72 V 3.9611 8.3750 114.8932 61.4847 32.3350 175.7318 73 F 4.8182 8.5628 119.9272 56.1860 40.3612 176.5306 74 T 4.2966 8.7830 115.7118 60.6449 69.6984 175.1558 75 R 3.8469 8.6250 121.2912 59.4887 29.7575 176.3940 76 D 4.7494 8.0059 114.5382 53.5596 40.9210 175.8619 77 E 3.9931 8.3205 117.7182 58.1550 27.2574 173.7608 78 T 4.7889 7.8825 106.9645 60.0569 72.1013 171.7520 79 H 5.1078 8.5169 117.4469 53.9262 31.4489 173.4543 80 E 4.6287 8.6115 121.8575 54.7713 32.6031 174.8980 81 L 4.7962 8.8326 124.7894 53.1070 44.9450 175.4745 82 D 5.2599 8.3156 119.3400 53.2102 45.2528 174.3645 83 A 4.6529 8.8385 121.3368 51.5110 23.1425 174.7775 84 C 5.3827 8.4256 118.4629 58.0001 35.2181 173.5731 85 V 4.6172 8.8044 122.7200 60.4341 34.7104 173.5176 86 M 5.0527 8.5030 122.2004 53.9332 35.7465 173.5284 87 D 4.7155 8.9971 126.0928 52.7434 42.1890 177.1800 88 G 3.7757 8.8356 115.1967 47.1575 0.0000 173.5907 89 N 4.4362 8.6584 119.5180 56.5840 39.1416 176.2583 90 T 4.0663 7.9080 106.1617 61.9120 69.5701 175.2714 91 L 3.7495 7.9497 120.2681 55.2798 39.8632 174.5709 92 K 4.4439 7.6946 118.0223 56.5279 33.3716 175.8993 93 A 5.0710 8.3385 122.4525 50.7622 23.0206 175.3018 94 G 4.3066 9.1735 105.8942 44.7548 0.0000 171.5716 95 A 5.2177 8.7684 122.7559 50.5228 23.1660 175.7239 96 V 5.5476 9.0406 113.2940 58.5964 35.9795 174.7408 97 A 4.7765 8.0463 123.5608 50.7912 23.0800 176.1984 98 G 3.9682 9.2910 107.6106 46.8073 0.0000 173.8094 99 V 4.5399 7.5090 112.1163 59.7819 33.2396 177.0423 100 S 4.7477 9.7139 116.6254 58.4327 64.9940 174.4731 101 H 5.3136 8.5624 116.4185 54.4013 29.1834 172.8315 102 L 5.1229 7.9968 119.5680 52.7789 43.7516 176.6336 103 R 4.3163 9.0242 124.4598 58.7237 30.5042 175.7822 104 N 5.3809 7.7724 114.9773 48.7239 39.4784 172.4729 105 P 4.3156 0.0000 0.0000 65.5098 31.5108 178.3967 106 V 3.7739 8.2528 117.9626 64.7263 31.2258 178.5166 107 L 4.0549 8.0486 119.4639 57.3274 41.4186 179.1876 108 A 4.0354 7.9585 120.3096 54.9013 18.3830 179.3306 109 A 3.9342 8.5207 119.8795 55.4090 18.4801 179.8718 110 R 3.8727 8.1890 117.2550 59.3416 30.0238 178.4137 111 L 4.0240 8.2625 120.4751 58.1294 42.1539 179.1120 112 V 3.5575 8.0608 118.2895 66.3706 31.2566 177.7609 113 M 4.1076 7.9468 116.5851 58.0126 32.1111 177.2196 114 E 4.4589 8.1117 117.5469 57.1862 30.3814 176.9460 115 Q 4.7512 8.2553 115.8754 55.1335 29.5789 174.9468 116 S 4.7063 7.5842 110.9921 56.5996 65.9525 171.9607 117 P 4.4669 0.0000 0.0000 63.2389 31.3008 175.5976 118 H 4.7205 7.7162 117.1845 55.3415 30.4487 174.6574 119 V 4.5052 8.1353 118.3727 63.3327 33.7302 175.0810 120 M 5.2981 7.8545 118.4211 53.9503 35.0404 174.4311 121 M 4.9739 9.0207 125.0180 53.4163 36.2453 174.5849 122 I 4.8201 7.8291 114.1771 59.5333 41.5774 176.0277 123 G 3.9611 8.9543 111.6639 45.9236 0.0000 176.0152 124 E 4.2407 8.7854 117.3399 59.3150 29.6159 179.5010 125 G 3.5960 8.0913 106.1668 47.5192 0.0000 175.2665 126 A 4.0299 7.9629 123.2102 55.0141 18.3743 179.6225 127 E 3.4399 8.1386 116.9450 59.5099 29.5118 179.3905 128 N 4.2748 8.3492 116.8696 56.0795 38.6351 177.2631 129 F 4.1240 8.2836 121.9484 61.1636 39.4759 177.1423 130 A 3.7399 7.7982 120.3913 55.1120 18.2107 179.5910 131 F 4.8053 8.4666 117.9004 60.2705 38.7660 177.7174 132 A 4.1496 8.0452 118.9955 54.0800 18.1221 178.7767 133 R 4.3995 6.8471 114.1306 55.8599 30.6147 177.0332 134 G 4.0328 7.9795 107.0257 45.2684 0.0000 174.2414 135 M 4.2167 8.1733 120.9885 54.8172 32.8847 175.1357 136 E 4.0301 8.5999 126.8111 56.0300 30.5558 175.7762 137 R 4.4151 8.0171 126.0584 56.0918 30.8113 175.6461 138 V 4.5598 8.7455 118.8139 59.2636 36.1730 174.6228 139 S 4.6003 8.3418 116.8674 57.2722 63.4129 173.2046 140 P 4.4339 0.0000 0.0000 64.9058 31.1629 178.2944 141 E 4.0956 8.2252 119.4655 59.2017 29.0820 178.8138 142 I 3.6583 7.3079 112.2659 63.2526 37.7209 177.5014 143 F 4.5232 7.5709 118.9557 57.9214 39.0788 175.8216 144 S 4.6252 7.4507 115.8063 58.4750 63.5249 174.1896 145 T 4.8661 8.3935 114.0950 59.2931 73.0543 175.3019 146 S 4.3088 8.6355 117.3450 61.4184 63.3192 176.3493 147 L 4.1197 7.9723 123.5729 58.3089 41.9634 179.1127 148 R 4.1662 8.0127 117.8823 59.1527 29.9483 178.4383 149 Y 3.7684 8.3760 119.6845 60.5852 38.7087 177.6478 150 E 3.8143 8.6447 119.9358 59.5869 29.4738 179.3617 151 Q 3.9892 8.0465 117.6721 58.7370 28.7514 178.6470 152 L 3.8877 7.8076 121.2864 58.2565 41.9080 179.1726 153 L 3.7896 7.4473 117.3711 57.4905 41.7370 178.9191 154 A 4.0583 8.3143 121.0397 55.0924 18.0598 179.4285 155 A 3.9595 8.0588 118.6867 55.2432 18.4869 179.1762 156 R 4.2659 7.7971 113.6833 56.7017 30.2001 177.4432 157 K 4.7289 7.7889 125.2085 56.8023 32.4817 175.5650 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 2 K 8.31 4.22 0.00 1.88 1.94 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.45 7.81 3 A 8.36 4.10 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 4 V 7.84 4.44 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 0.63 0.00 0.00 0.93 0.00 0.00 5 I 8.15 4.60 1.86 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 1.33 0.94 0.91 0.00 0.00 6 A 8.36 4.80 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.07 4.72 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.70 0.86 0.00 0.00 8 H 8.24 4.93 0.00 3.13 3.23 0.00 5.66 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 9 G 8.73 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 10 G 8.62 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 0.00 0.00 0.00 11 A 8.19 4.69 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 9.05 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 0.00 0.00 0.00 0.00 13 A 7.65 4.66 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.62 4.46 1.82 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 1.14 0.64 0.83 0.00 0.00 15 S 8.35 4.43 0.00 3.77 3.65 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 16 R 8.90 3.82 0.00 1.92 1.92 0.00 3.44 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 17 A 7.59 4.01 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 18 Q 8.02 4.41 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 19 M 7.40 4.76 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.67 0.00 20 S 8.46 4.88 0.00 4.04 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 21 L 8.25 4.51 0.00 1.74 1.72 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.05 4.00 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.66 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 23 Q 8.10 4.04 0.00 2.43 2.29 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 2.47 2.45 0.00 24 E 8.56 4.11 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 25 L 8.31 4.06 0.00 1.85 1.74 0.97 1.08 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 26 R 8.05 3.86 0.00 1.91 1.72 0.00 3.02 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 27 Y 7.94 3.98 0.00 3.29 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 28 I 8.28 3.81 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.94 0.96 0.00 0.00 29 E 8.58 3.93 0.00 2.03 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 2.32 2.34 0.00 30 A 8.17 4.05 1.52 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 0.00 0.00 31 L 8.52 4.03 0.00 1.77 1.79 1.10 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.53 4.12 0.00 4.12 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.12 4.01 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 34 I 7.88 3.75 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.17 0.87 0.00 0.00 35 V 7.97 3.64 2.17 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 1.03 0.00 0.00 0.93 0.00 0.00 36 E 8.43 3.91 0.00 2.26 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 0.00 2.31 2.36 0.00 37 T 8.08 3.98 4.40 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 1.21 0.00 0.00 38 G 8.08 3.58 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 0.00 0.00 0.00 39 Q 8.42 4.00 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 40 K 8.13 3.86 0.00 1.83 2.03 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 41 M 7.96 4.06 0.00 2.12 2.23 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 2.76 2.58 0.00 42 L 8.03 3.97 0.00 1.84 1.71 0.94 0.72 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 43 E 8.26 4.07 0.00 2.10 2.21 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 2.48 2.33 0.00 44 A 7.84 4.31 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 45 G 8.22 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 46 E 7.78 4.11 0.00 2.05 1.90 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 2.49 2.40 0.00 47 S 8.40 4.36 0.00 4.04 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 48 A 8.48 3.97 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 49 L 7.81 3.88 0.00 1.77 1.67 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.14 4.38 0.00 2.87 2.70 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 51 V 7.94 3.56 2.22 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 1.11 0.00 0.00 0.94 0.00 0.00 52 V 8.12 3.62 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 0.87 0.00 0.00 1.01 0.00 0.00 53 T 7.93 3.84 4.41 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 1.22 0.00 0.00 54 E 8.44 3.89 0.00 2.12 1.94 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 2.31 2.37 0.00 55 A 8.21 3.94 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 56 V 7.86 3.52 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.92 0.00 0.00 57 R 8.18 4.09 0.00 2.06 2.08 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 58 L 8.15 4.02 0.00 1.90 1.71 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.84 4.05 0.00 1.68 1.56 0.76 0.04 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 60 E 8.60 4.40 0.00 2.18 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 2.32 2.37 0.00 61 E 8.28 4.19 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 62 C 8.12 4.30 0.00 3.19 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 63 P 0.00 4.78 0.00 2.18 2.08 0.00 3.88 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 64 L 7.60 3.94 0.00 0.50 0.58 0.14 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 65 F 7.40 5.09 0.00 3.22 2.94 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 66 N 8.85 4.86 0.00 2.73 2.84 0.00 0.00 6.87 7.96 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 67 A 8.12 4.30 1.22 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 0.00 0.00 68 G 8.05 3.76 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 0.00 0.00 0.00 69 I 8.55 4.11 2.10 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 1.46 1.01 0.95 0.00 0.00 70 G 9.11 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 0.00 0.00 0.00 71 A 7.42 4.19 1.03 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 0.00 0.00 72 V 8.37 3.96 2.17 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 0.81 0.00 0.00 0.98 0.00 0.00 73 F 8.56 4.82 0.00 3.04 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.78 4.30 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 1.26 0.00 0.00 75 R 8.62 3.85 0.00 1.81 2.06 0.00 3.23 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 76 D 8.01 4.75 0.00 2.79 2.71 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 0.00 0.00 0.00 0.00 77 E 8.32 3.99 0.00 2.22 2.17 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 2.27 2.28 0.00 78 T 7.88 4.79 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 1.27 0.00 0.00 79 H 8.52 5.11 0.00 3.15 3.02 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.61 4.63 0.00 1.77 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 81 L 8.83 4.80 0.00 1.40 1.35 -0.04 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.32 5.26 0.00 2.46 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 83 A 8.84 4.65 1.18 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 0.00 0.00 84 C 8.43 5.38 0.00 2.92 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 85 V 8.80 4.62 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 0.68 0.00 0.00 0.93 0.00 0.00 86 M 8.50 5.05 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.51 0.00 87 D 9.00 4.72 0.00 2.83 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 G 8.84 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 89 N 8.66 4.44 0.00 2.66 2.92 0.00 0.00 7.14 8.20 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 90 T 7.91 4.07 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 1.25 0.00 0.00 91 L 7.95 3.75 0.00 1.84 1.83 0.92 0.75 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 92 K 7.69 4.44 0.00 1.75 1.71 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.39 7.81 93 A 8.34 5.07 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 94 G 9.17 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 0.00 0.00 0.00 0.00 95 A 8.77 5.22 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 96 V 9.04 5.55 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 0.57 0.00 0.00 0.97 0.00 0.00 97 A 8.05 4.78 1.20 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 0.00 0.00 98 G 9.29 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 0.00 0.00 0.00 99 V 7.51 4.54 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 0.74 0.00 0.00 0.97 0.00 0.00 100 S 9.71 4.75 0.00 3.70 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 0.00 101 H 8.56 5.31 0.00 3.55 3.60 0.00 6.03 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 0.00 102 L 8.00 5.12 0.00 1.69 1.67 0.92 1.11 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 0.00 103 R 9.02 4.32 0.00 1.81 2.03 0.00 3.17 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.71 0.00 104 N 7.77 5.38 0.00 2.87 2.80 0.00 0.00 7.60 8.03 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 0.00 105 P 0.00 4.32 0.00 2.12 2.08 0.00 3.88 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 1.99 2.09 0.00 106 V 8.25 3.77 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 0.88 0.00 0.00 0.93 0.00 0.00 107 L 8.05 4.05 0.00 1.89 1.78 0.95 0.59 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 0.00 108 A 7.96 4.04 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 0.00 109 A 8.52 3.93 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 0.00 110 R 8.19 3.87 0.00 1.96 2.12 0.00 3.16 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 111 L 8.26 4.02 0.00 1.99 2.00 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.06 3.56 2.23 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 0.89 0.00 0.00 0.92 0.00 0.00 113 M 7.95 4.11 0.00 2.09 2.19 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 2.61 2.58 0.00 114 E 8.11 4.46 0.00 2.07 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 0.00 2.46 2.50 0.00 115 Q 8.26 4.75 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 116 S 7.58 4.71 0.00 3.89 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 4.47 0.00 2.07 2.10 0.00 3.49 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 1.40 1.84 0.00 118 H 7.72 4.72 0.00 3.01 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.14 4.51 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 1.23 0.00 0.00 0.92 0.00 0.00 120 M 7.85 5.30 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 121 M 9.02 4.97 0.00 1.83 1.80 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.35 0.00 122 I 7.83 4.82 1.85 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 1.24 0.78 0.88 0.00 0.00 123 G 8.95 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 0.00 124 E 8.79 4.24 0.00 2.22 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 2.37 2.38 0.00 125 G 8.09 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 4.03 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 0.00 127 E 8.14 3.44 0.00 1.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 128 N 8.35 4.27 0.00 2.68 2.89 0.00 0.00 6.70 7.98 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 0.00 129 F 8.28 4.12 0.00 3.13 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 0.00 130 A 7.80 3.74 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 0.00 131 F 8.47 4.81 0.00 3.10 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 0.00 132 A 8.05 4.15 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 0.00 133 R 6.85 4.40 0.00 1.68 1.90 0.00 3.13 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.95 0.00 134 G 7.98 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 0.00 0.00 0.00 135 M 8.17 4.22 0.00 2.26 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 2.66 2.59 0.00 136 E 8.60 4.03 0.00 1.96 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 2.25 2.22 0.00 137 R 8.02 4.42 0.00 0.67 1.39 0.00 2.84 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 138 V 8.75 4.56 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 0.64 0.00 0.00 0.91 0.00 0.00 139 S 8.34 4.60 0.00 3.89 3.65 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 0.00 140 P 0.00 4.43 0.00 2.46 2.59 0.00 3.77 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 2.12 2.04 0.00 141 E 8.23 4.10 0.00 2.02 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 2.37 2.34 0.00 142 I 7.31 3.66 1.60 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 1.04 -0.36 0.77 0.00 0.00 143 F 7.57 4.52 0.00 2.76 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 0.00 144 S 7.45 4.63 0.00 4.12 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 0.00 145 T 8.39 4.87 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 1.26 0.00 0.00 146 S 8.64 4.31 0.00 4.15 4.22 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 0.00 147 L 7.97 4.12 0.00 1.82 1.77 0.96 1.06 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 0.00 148 R 8.01 4.17 0.00 2.17 2.26 0.00 3.45 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.03 0.00 149 Y 8.38 3.77 0.00 2.90 3.07 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 0.00 150 E 8.64 3.81 0.00 2.04 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 2.37 2.71 0.00 151 Q 8.05 3.99 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 152 L 7.81 3.89 0.00 1.72 1.44 0.96 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 153 L 7.45 3.79 0.00 1.42 1.53 0.66 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 154 A 8.31 4.06 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 0.00 155 A 8.06 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 0.00 156 R 7.80 4.27 0.00 1.76 1.93 0.00 3.20 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 157 K 7.79 4.73 0.00 1.88 1.98 0.00 1.51 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.67 7.81