NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.3843 0.0000 0.0000 62.0350 32.6354 176.0921 8 E 3.9624 8.4202 118.9067 54.7891 30.2051 176.2486 9 T 4.2734 8.9645 113.0260 61.0091 72.2695 175.2348 10 L 3.9422 8.4909 122.3980 58.3997 41.6298 179.7337 11 E 4.0011 8.2734 117.2812 59.5083 29.5157 179.1211 12 A 4.0210 8.0094 120.6083 55.1790 18.4312 179.8744 13 R 3.8505 8.2144 116.4890 59.6462 30.4227 179.2826 14 I 3.6050 8.1770 118.3540 63.8808 37.6473 177.7252 15 N 4.3302 8.0839 116.9876 56.1947 38.2128 177.3275 16 R 4.0052 7.9777 119.2469 59.2426 30.0064 179.0428 17 A 3.9551 8.3024 119.7818 54.0680 18.3753 178.1542 18 T 4.0486 7.2795 105.2565 60.8727 69.5171 173.1862 19 N 4.2518 7.6035 121.9528 53.6191 38.9174 173.6397 20 P 4.6339 0.0000 0.0000 64.3174 31.5589 177.0447 21 L 4.2645 8.6245 119.3743 56.4605 41.9665 177.0940 22 N 4.4725 8.0558 117.2750 53.5958 38.6371 175.4036 23 K 4.1944 8.7925 122.6068 58.2098 32.6475 176.0213 24 E 4.8297 7.6407 114.6028 55.0080 31.8999 174.6815 25 L 3.7398 8.5052 119.6398 54.9154 41.9649 177.8189 26 D 4.5681 7.9017 122.8028 52.5315 40.9237 176.6924 27 W 4.1816 8.2103 126.6970 59.1179 29.2895 177.5426 28 A 4.0797 8.2604 120.4572 55.6687 17.6804 179.7939 29 S 4.1325 8.1479 112.7637 61.6147 63.1916 176.4841 30 I 3.6355 7.9682 122.8187 64.8569 36.8585 178.3464 31 N 4.6575 9.1628 117.4982 56.1353 38.3761 177.9114 32 G 3.6528 8.4372 107.5956 47.4138 0.0000 175.5765 33 F 4.0458 8.5077 123.0604 61.4506 39.3393 176.4853 34 C 4.0376 8.1468 115.5593 60.1120 39.7903 175.9544 35 E 3.8350 8.2263 119.1854 59.5087 29.2866 178.9902 36 Q 4.0327 7.8500 119.6725 58.8137 29.0424 177.9134 37 L 3.7365 7.5219 120.8705 58.7142 40.0625 178.7513 38 N 4.2535 7.5495 116.8854 55.6928 38.8527 176.1440 39 E 4.1088 7.9669 120.6834 57.3548 30.5742 175.9196 40 D 4.9667 7.3915 117.9675 51.2039 41.5167 176.7030 41 F 4.1206 9.1951 122.0267 60.8179 38.6430 176.0661 42 E 4.4913 8.2461 118.2469 55.9807 29.9811 177.2266 43 G 3.8214 8.5697 107.7033 47.2311 0.0000 174.2551 44 P 4.4088 0.0000 0.0000 64.5395 31.3514 177.0535 45 P 4.3299 0.0000 0.0000 65.3419 31.1660 178.3591 46 L 3.9592 7.7073 119.6138 57.9865 41.9980 178.3294 47 A 4.1998 8.4229 121.2261 55.9051 18.2693 179.5896 48 T 3.8044 7.9746 110.8280 65.1007 67.0173 176.8970 49 R 4.0735 7.9232 120.3647 59.2274 30.1025 179.0551 50 L 4.1122 8.4048 119.0504 57.8218 41.6317 179.5098 51 L 4.0140 8.5409 119.1185 57.7875 41.4554 179.3968 52 A 4.0975 8.4371 120.7325 55.4185 18.0980 179.1857 53 H 4.0879 7.8285 115.2086 59.4516 30.3368 177.2629 54 K 4.0323 8.0517 120.2727 59.6718 31.6445 179.4352 55 I 3.8252 8.0333 119.3897 63.9684 37.0050 177.4485 56 Q 4.3825 7.4176 116.7450 54.8264 29.0096 175.8845 57 S 4.1800 7.3841 116.2629 57.6022 62.7905 172.7228 58 P 4.3097 0.0000 0.0000 64.4713 31.6830 176.8642 59 Q 4.3098 8.0182 119.9146 54.7244 28.9100 175.6060 60 E 3.9778 8.7631 127.0786 59.1907 29.7962 178.4083 61 W 4.7603 8.2350 127.7508 60.0827 30.7789 177.5707 62 E 3.9575 8.4482 120.2725 58.6686 29.2167 178.4913 63 A 4.0945 7.8959 120.7314 55.2010 18.4231 179.6342 64 I 3.6871 8.2312 118.7501 64.7367 37.1257 178.7652 65 Q 3.5671 7.5734 118.5046 58.4623 28.2750 178.5291 66 A 3.8137 7.7422 121.9180 55.2313 18.4125 179.7526 67 L 4.0447 8.0649 117.4071 58.0874 41.5473 179.9624 68 T 3.9358 7.9105 115.9507 66.4556 68.3179 176.6737 69 V 3.5435 7.8618 120.4842 66.0126 31.4906 177.7369 70 L 4.1803 8.1925 119.9842 58.2835 41.9022 178.3958 71 E 4.3154 8.8560 119.6254 59.8105 29.5601 179.0251 72 T 4.0132 8.3310 115.7124 67.1449 68.6398 176.2828 73 C 4.7145 8.6647 119.9576 59.4666 39.8781 176.0623 74 M 4.2740 8.2764 120.0163 58.4159 31.5816 178.5540 75 K 4.2665 8.0187 117.9007 58.9012 32.6500 178.9628 76 S 4.4611 8.1255 114.2122 60.2011 63.6299 174.4607 77 C 4.6464 8.0911 119.4955 57.6191 29.5588 173.2211 78 G 3.7395 8.6624 108.5705 46.3623 0.0000 173.5261 79 K 4.3077 8.5678 124.8514 57.7796 33.6389 178.0951 80 R 3.8278 7.7419 117.7593 59.1781 30.0833 178.6741 81 F 4.0505 7.9966 119.7293 61.6523 39.5505 176.4805 82 H 3.8596 8.0303 115.3092 59.1535 28.2261 177.2948 83 D 4.4859 8.2002 119.8186 57.2680 40.7576 178.4645 84 E 3.9579 7.6727 119.2046 59.3487 29.2885 179.5171 85 V 3.1764 6.9270 117.0951 65.2586 31.3742 177.1953 86 G 3.8791 7.2753 104.7625 43.1583 0.0000 173.3621 87 K 4.3192 7.0077 120.3599 54.4922 33.9738 178.0182 88 F 4.5492 8.0737 120.0115 60.4723 38.5172 177.8571 89 R 3.9733 8.0959 117.6814 59.1990 30.0925 177.6718 90 F 4.4081 8.0773 119.4529 61.0102 39.8551 177.3090 91 L 4.0211 8.4023 118.9814 58.0649 41.4198 179.3199 92 N 4.3313 8.7064 116.6801 56.3335 38.4961 177.2621 93 E 3.9190 8.0590 120.0923 59.0431 29.5858 179.3492 94 L 3.9851 7.4676 118.7573 57.7485 41.6905 179.1853 95 I 3.7548 7.8158 119.7628 64.3420 36.9266 178.4120 96 K 3.9236 7.9969 119.2608 59.6744 31.7491 179.5047 97 V 3.5680 7.3482 117.4696 65.7052 31.3043 177.9783 98 V 4.0033 7.6350 109.6147 61.1064 32.0785 175.8060 99 S 4.7382 7.3974 115.2467 55.4386 62.5060 172.8399 100 P 4.2052 0.0000 0.0000 65.8012 31.0411 178.5562 101 K 3.9479 7.9031 117.1845 58.3113 33.6923 177.2078 102 Y 4.3389 7.3388 109.5660 58.1943 37.8414 176.5406 103 L 4.5108 6.3495 134.4192 55.4855 43.6328 178.6316 104 G 3.9558 8.4697 109.1889 49.1407 0.0000 175.9817 105 S 4.1363 8.2143 115.0928 60.6757 62.8735 175.2218 106 R 4.5474 7.9179 113.5359 55.8675 29.6054 175.3479 107 T 4.5588 7.3364 115.3726 61.9095 70.2674 175.5047 108 S 4.3205 8.4114 120.7054 58.4532 65.0846 175.3465 109 E 3.9755 8.7510 122.9395 59.3502 29.2402 179.4252 110 K 3.8274 8.0709 119.2567 59.6398 32.2662 178.6253 111 V 3.6237 7.6094 117.6836 66.0559 31.4803 178.1749 112 K 3.9919 8.0401 118.0583 59.6092 31.8558 179.1011 113 N 4.3535 8.6974 117.1301 56.0915 38.3316 177.3636 114 K 3.9046 8.1780 120.9543 59.6011 32.2527 178.8022 115 I 3.6530 7.7284 120.0352 64.5590 37.0342 178.4877 116 L 4.0857 8.0773 119.7035 57.4866 41.3450 179.0334 117 E 3.9142 8.3712 119.5154 59.3437 29.6162 178.8976 118 L 3.3491 7.8447 119.0074 57.4334 41.5363 179.4666 119 L 3.7432 7.6253 118.9875 57.8035 41.7326 178.7607 120 Y 3.1116 7.6656 119.4688 60.6067 38.5914 178.5059 121 S 3.9275 8.0108 115.0585 61.2529 62.8760 176.4412 122 W 4.3912 7.8425 122.6589 59.4575 28.5669 178.6155 123 T 3.8792 7.5231 109.4316 64.6269 68.1062 176.4243 124 V 3.7008 7.1350 119.8414 65.3249 31.7208 177.7952 125 G 3.8873 8.2016 104.1849 45.5136 0.0000 173.8801 126 L 5.3018 8.3157 120.0947 51.1731 41.8659 175.5079 127 P 4.3833 0.0000 0.0000 65.0293 32.3577 178.6023 128 E 4.0880 8.0691 118.5166 58.7462 29.8380 176.2300 129 E 4.2875 7.7127 119.9604 55.0413 27.9626 177.3921 130 V 3.8120 7.7447 116.3811 63.7483 31.9513 177.8679 131 K 4.0102 7.8572 118.3575 59.1319 31.7901 178.9446 132 I 3.7914 7.7863 119.5034 64.6011 37.1128 177.9529 133 A 4.0933 7.6928 120.0161 55.2980 18.1865 179.3390 134 E 3.9716 8.7137 117.7522 59.3027 29.7620 178.7807 135 A 4.1162 8.7749 121.3280 55.3745 18.4895 178.9533 136 Y 4.0334 8.4171 118.1029 61.1084 38.9276 178.1949 137 Q 3.9747 8.3546 120.0673 58.7147 29.0710 177.7038 138 M 3.9889 8.1154 119.7529 58.7461 32.3111 178.1112 139 L 3.9727 7.8656 119.1224 57.6100 41.7916 179.5124 140 K 4.4533 7.8328 121.0180 58.7315 31.9128 178.9105 141 K 3.9832 8.4517 119.5754 59.2739 32.1970 178.1742 142 Q 4.2214 7.8529 116.5058 56.3031 28.8946 177.0163 143 G 3.9421 7.6836 108.0542 45.4424 0.0000 174.7165 144 I 3.8281 7.6686 121.4352 63.3528 37.6193 176.9014 145 V 4.3053 7.4690 113.3984 59.3908 33.2483 176.0634 146 K 4.1476 8.4641 122.5891 56.5565 32.4883 175.9546 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 7 P 0.00 4.38 0.00 2.17 2.11 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 8 E 8.42 3.96 0.00 2.07 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 2.32 2.36 0.00 9 T 8.96 4.27 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 1.21 0.00 0.00 10 L 8.49 3.94 0.00 1.72 1.85 0.37 0.77 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 11 E 8.27 4.00 0.00 2.08 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 2.43 2.50 0.00 12 A 8.01 4.02 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 13 R 8.21 3.85 0.00 2.30 2.17 0.00 3.34 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.86 0.00 14 I 8.18 3.61 1.83 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.99 1.04 0.00 0.00 15 N 8.08 4.33 0.00 2.92 2.85 0.00 0.00 7.05 7.28 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 16 R 7.98 4.01 0.00 2.11 1.93 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 17 A 8.30 3.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.28 4.05 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 1.01 0.00 0.00 19 N 7.60 4.25 0.00 2.87 2.93 0.00 0.00 6.95 7.59 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 20 P 0.00 4.63 0.00 2.31 2.22 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 21 L 8.62 4.26 0.00 1.79 1.80 0.94 1.01 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 22 N 8.06 4.47 0.00 3.01 3.13 0.00 0.00 7.01 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 23 K 8.79 4.19 0.00 1.78 1.87 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.39 7.81 24 E 7.64 4.83 0.00 2.11 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 2.22 2.36 0.00 25 L 8.51 3.74 0.00 1.37 0.71 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.90 4.57 0.00 2.68 2.40 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 27 W 8.21 4.18 0.00 3.50 3.27 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 28 A 8.26 4.08 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 29 S 8.15 4.13 0.00 4.00 4.10 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 30 I 7.97 3.64 1.88 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.80 0.99 0.00 0.00 31 N 9.16 4.66 0.00 2.98 2.95 0.00 0.00 7.03 7.60 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 32 G 8.44 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 0.00 0.00 0.00 33 F 8.51 4.05 0.00 3.12 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 8.15 4.04 0.00 3.14 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 35 E 8.23 3.83 0.00 2.08 1.98 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 2.33 2.49 0.00 36 Q 7.85 4.03 0.00 2.21 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 37 L 7.52 3.74 0.00 1.65 1.25 0.64 -0.56 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 38 N 7.55 4.25 0.00 2.55 2.98 0.00 0.00 7.16 7.55 0.00 0.00 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 E 7.97 4.11 0.00 2.09 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 0.00 2.28 2.30 0.00 40 D 7.39 4.97 0.00 2.92 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 9.20 4.12 0.00 2.87 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 42 E 8.25 4.49 0.00 2.08 1.91 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 2.33 2.37 0.00 43 G 8.57 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 44 P 0.00 4.41 0.00 2.19 2.25 0.00 3.75 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 45 P 0.00 4.33 0.00 2.27 2.43 0.00 3.64 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 2.22 2.02 0.00 46 L 7.71 3.96 0.00 1.82 1.87 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.42 4.20 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 48 T 7.97 3.80 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 1.27 0.00 0.00 49 R 7.92 4.07 0.00 2.18 2.04 0.00 3.22 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 50 L 8.40 4.11 0.00 1.99 1.82 1.11 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.54 4.01 0.00 2.09 1.95 1.24 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.44 4.10 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 53 H 7.83 4.09 0.00 3.20 3.52 0.00 5.77 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.05 4.03 0.00 1.93 1.77 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.66 1.54 7.81 55 I 8.03 3.83 2.11 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.65 0.93 0.00 0.00 56 Q 7.42 4.38 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 57 S 7.38 4.18 0.00 3.84 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 58 P 0.00 4.31 0.00 2.23 2.17 0.00 3.80 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 59 Q 8.02 4.31 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 60 E 8.76 3.98 0.00 2.08 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 2.49 2.44 0.00 61 W 8.23 4.76 0.00 3.30 3.03 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 62 E 8.45 3.96 0.00 2.03 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 0.00 2.30 2.30 0.00 63 A 7.90 4.09 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 64 I 8.23 3.69 2.16 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 1.84 0.98 1.13 0.00 0.00 65 Q 7.57 3.57 0.00 1.73 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.23 1.16 0.00 66 A 7.74 3.81 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 67 L 8.06 4.04 0.00 1.90 1.79 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.91 3.94 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 1.16 0.00 0.00 69 V 7.86 3.54 2.02 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 0.71 0.00 0.00 0.69 0.00 0.00 70 L 8.19 4.18 0.00 2.01 2.05 0.99 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.86 4.32 0.00 2.27 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 0.00 2.48 2.55 0.00 72 T 8.33 4.01 4.54 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 0.00 0.00 0.00 1.47 0.00 0.00 73 C 8.66 4.71 0.00 2.69 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 M 8.28 4.27 0.00 1.93 2.60 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.87 0.00 75 K 8.02 4.27 0.00 1.96 1.94 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.21 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.71 7.81 76 S 8.13 4.46 0.00 4.06 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.09 4.65 0.00 3.05 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 78 G 8.66 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.57 4.31 0.00 1.76 1.71 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.44 7.81 80 R 7.74 3.83 0.00 1.85 1.92 0.00 3.06 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 81 F 8.00 4.05 0.00 2.98 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 8.03 3.86 0.00 3.24 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.20 4.49 0.00 2.70 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 84 E 7.67 3.96 0.00 1.73 1.76 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 2.43 2.36 0.00 85 V 6.93 3.18 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 0.22 0.00 0.00 -0.46 0.00 0.00 86 G 7.28 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 87 K 7.01 4.32 0.00 1.87 1.67 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.27 1.54 7.81 88 F 8.07 4.55 0.00 3.07 3.06 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 89 R 8.10 3.97 0.00 1.85 2.03 0.00 3.26 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 1.69 1.75 0.00 90 F 8.08 4.41 0.00 3.14 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 91 L 8.40 4.02 0.00 1.96 1.90 1.23 0.64 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 92 N 8.71 4.33 0.00 2.73 2.78 0.00 0.00 6.98 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 93 E 8.06 3.92 0.00 1.70 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 2.37 2.43 0.00 94 L 7.47 3.99 0.00 1.81 1.72 1.21 0.74 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 95 I 7.82 3.75 1.97 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 1.56 0.87 0.93 0.00 0.00 96 K 8.00 3.92 0.00 1.95 1.85 0.00 1.69 0.00 0.00 1.48 0.00 0.00 2.67 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.09 1.36 7.81 97 V 7.35 3.57 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 1.04 0.00 0.00 1.00 0.00 0.00 98 V 7.63 4.00 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 0.83 0.00 0.00 1.06 0.00 0.00 99 S 7.40 4.74 0.00 3.89 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 0.00 100 P 0.00 4.21 0.00 2.19 2.28 0.00 3.75 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 2.03 1.98 0.00 101 K 7.90 3.95 0.00 0.85 1.04 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.22 1.28 7.81 102 Y 7.34 4.34 0.00 3.13 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 0.00 103 L 6.35 4.51 0.00 1.81 1.72 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.47 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 0.00 105 S 8.21 4.14 0.00 3.86 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 0.00 106 R 7.92 4.55 0.00 1.91 1.99 0.00 3.06 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 107 T 7.34 4.56 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 0.00 108 S 8.41 4.32 0.00 4.06 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 0.00 109 E 8.75 3.98 0.00 2.08 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 2.40 2.43 0.00 110 K 8.07 3.83 0.00 1.84 1.97 0.00 1.77 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.55 7.81 111 V 7.61 3.62 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 1.00 0.00 0.00 0.97 0.00 0.00 112 K 8.04 3.99 0.00 1.87 1.85 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.20 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.66 7.81 113 N 8.70 4.35 0.00 2.91 2.87 0.00 0.00 6.70 8.02 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 0.00 114 K 8.18 3.90 0.00 2.02 1.97 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.55 7.81 115 I 7.73 3.65 2.03 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 1.56 0.64 0.94 0.00 0.00 116 L 8.08 4.09 0.00 1.88 1.82 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.37 3.91 0.00 2.07 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 2.28 2.35 0.00 118 L 7.84 3.35 0.00 1.27 0.13 1.05 0.91 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 0.00 119 L 7.63 3.74 0.00 1.91 1.84 1.07 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.67 3.11 0.00 2.80 2.97 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 0.00 121 S 8.01 3.93 0.00 4.01 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 0.00 122 W 7.84 4.39 0.00 3.46 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 0.00 123 T 7.52 3.88 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 124 V 7.13 3.70 1.91 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 0.74 0.00 0.00 0.29 0.00 0.00 125 G 8.20 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.32 5.30 0.00 1.70 1.45 0.54 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.38 0.00 2.16 2.16 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 128 E 8.07 4.09 0.00 2.06 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 2.37 2.37 0.00 129 E 7.71 4.29 0.00 2.04 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 2.26 0.00 130 V 7.74 3.81 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 0.84 0.00 0.00 0.92 0.00 0.00 131 K 7.86 4.01 0.00 1.63 0.93 0.00 1.40 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.01 1.25 7.81 132 I 7.79 3.79 2.07 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 1.65 0.59 1.19 0.00 0.00 133 A 7.69 4.09 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 0.00 134 E 8.71 3.97 0.00 2.32 2.37 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 2.41 2.42 0.00 135 A 8.77 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 8.42 4.03 0.00 3.22 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 0.00 137 Q 8.35 3.97 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 138 M 8.12 3.99 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 139 L 7.87 3.97 0.00 1.75 1.61 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 140 K 7.83 4.45 0.00 1.45 1.83 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.21 7.81 141 K 8.45 3.98 0.00 1.98 1.81 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 142 Q 7.85 4.22 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.53 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 143 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 0.00 144 I 7.67 3.83 1.96 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 1.28 0.55 0.94 0.00 0.00 145 V 7.47 4.31 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 0.65 0.00 0.00 0.63 0.00 0.00 146 K 8.46 4.15 0.00 1.67 1.63 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.36 7.81