NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8819 8.1676 115.8993 57.2086 40.0747 177.0669 11 H 3.3876 6.8128 116.7956 56.7947 28.7389 173.9770 12 E 4.0254 8.3407 120.7531 58.3516 30.4803 178.2985 13 M 4.3167 7.8201 115.4632 55.8917 32.6210 176.6351 14 R 4.3447 7.0640 116.5563 56.0769 31.0327 176.3090 15 E 4.0555 7.7697 118.1363 54.9455 30.1503 174.8132 16 P 4.3830 0.0000 0.0000 62.9038 32.3054 175.3220 17 R 4.7222 8.2809 116.3819 54.9219 33.5337 174.1086 18 I 4.2055 8.3515 121.1520 60.9006 37.2880 175.5066 19 E 4.3007 9.2254 129.9637 58.2337 29.7118 176.6338 20 K 4.8496 7.7771 117.5477 55.3397 36.6087 174.4336 21 V 4.4931 8.6912 123.0155 61.3121 33.7410 174.2086 22 V 4.4570 8.5266 129.6752 61.7286 33.0863 174.9880 23 V 4.7517 8.5774 121.8143 60.0232 33.7371 174.0857 24 H 5.1387 9.0301 125.5867 54.4060 33.4175 172.6563 25 M 4.5157 8.5308 123.2734 53.5692 34.4871 175.0300 26 G 3.6723 8.3074 112.4167 46.6530 0.0000 171.8649 27 I 3.7589 8.6545 129.3898 60.6622 36.1754 175.6082 28 G 3.8534 5.3800 127.0700 46.8566 0.0000 174.5129 29 H 4.6267 7.4457 112.9408 56.7240 29.5850 174.2013 *35 A 4.3513 7.7492 122.4450 52.4059 20.2961 178.3056 36 N 4.4943 7.8237 111.2823 54.7610 38.2368 176.5327 37 A 4.4197 7.8720 120.0854 52.6041 18.1574 178.6831 38 E 4.0903 8.0134 120.8956 60.0586 29.6184 178.9911 39 D 4.3893 8.0231 118.9214 57.3101 41.1113 178.4777 40 I 4.2539 7.5915 113.5689 62.5899 37.7807 177.9049 41 L 4.2848 7.4582 118.7688 57.5704 41.7531 179.2997 42 G 3.6569 7.8680 105.2260 47.5813 0.0000 175.6875 43 E 4.1522 7.8917 119.7091 59.0008 29.2901 178.7951 44 I 4.0974 7.3793 116.6157 63.8767 38.2686 176.7557 45 T 4.3562 8.3516 110.5973 61.3040 69.0430 173.9844 46 G 3.5224 6.6952 111.0410 43.9996 0.0000 172.7299 47 Q 4.5396 7.4102 117.0953 54.1228 31.6475 173.9713 48 M 4.0470 8.4294 118.8607 55.1779 32.6565 174.0928 49 P 4.8695 0.0000 0.0000 62.1817 33.6040 175.1750 50 V 4.5597 8.3580 112.3647 59.3565 35.2055 176.2005 51 R 4.5663 8.6368 122.6832 56.6210 31.3530 176.1611 52 T 4.5365 8.7169 117.3652 62.0131 71.7467 174.4122 53 K 5.1300 8.9318 125.7507 54.6846 34.2693 175.1631 54 A 4.8086 8.1332 120.4849 50.7095 22.5220 175.4308 55 K 4.4829 8.2974 117.2665 55.0707 35.5449 172.4890 56 R 3.8682 8.5559 126.8870 55.6496 30.1851 176.6590 57 T 3.9601 8.5302 119.4363 63.5411 68.7545 173.8829 58 V 4.4206 8.2217 125.9796 61.0762 33.7324 175.5630 59 G 4.0104 8.6507 114.2186 45.9274 0.0000 174.0045 60 E 4.6461 7.7552 116.6609 55.6404 29.5486 175.7380 61 F 4.0846 8.2845 113.5119 60.6969 38.9423 174.3990 62 D 4.8594 7.3312 111.8746 52.2019 40.4857 175.9365 63 I 4.0509 7.2349 112.2492 61.1768 39.1034 176.5154 64 R 4.2955 7.4567 121.8678 54.9135 30.6540 174.8740 65 E 4.0591 8.1943 127.2911 58.3460 30.3721 176.5363 66 G 4.1483 7.5563 115.0577 44.1435 0.0000 171.3989 67 D 4.6082 7.7933 123.4392 50.9291 42.5600 173.6591 68 P 4.4745 0.0000 0.0000 63.6578 30.9114 175.5184 69 I 4.1902 8.7070 125.5901 62.7181 39.3928 175.7497 70 G 4.4176 7.5956 106.4304 45.8711 0.0000 171.4972 71 A 5.3921 8.2396 118.4460 50.6687 23.1124 175.9005 72 K 5.1472 9.0152 118.1658 54.9423 37.0915 175.3410 73 V 4.6665 8.0753 119.8082 61.5558 34.9993 173.4557 74 T 4.7392 8.5614 118.4039 60.1732 70.1579 173.5794 75 L 4.5972 8.7351 127.7607 53.2900 43.4998 176.2243 76 R 4.8226 8.0921 121.1299 55.0706 34.3590 177.6452 77 D 4.3748 9.0366 122.8531 55.9272 40.0640 176.0212 78 E 4.1214 9.2348 128.8482 60.5199 29.3910 177.4711 79 M 4.2343 8.0809 116.3109 57.2222 32.3505 177.7746 80 A 4.3731 7.7883 120.8512 54.6139 19.5814 179.1220 81 E 4.0579 7.8236 115.7063 59.5126 29.3701 179.2711 82 E 4.0695 8.1634 117.3510 58.4164 29.8382 178.6526 83 F 4.3470 8.1368 120.8219 60.9380 39.9751 177.2738 84 L 4.2222 8.0155 117.6103 57.4056 41.1284 179.3730 85 Q 4.0394 7.7564 118.0869 57.7372 28.5790 176.9197 86 T 4.4353 7.3256 107.2344 60.9630 69.3283 174.3940 87 A 4.4752 7.4797 125.8186 53.7190 21.3544 179.2701 88 L 3.9036 7.9275 115.5396 57.3080 41.8297 177.8214 89 P 4.2639 0.0000 0.0000 64.9850 31.4154 177.2765 90 L 4.1778 7.3665 115.8415 55.7977 41.7095 176.7319 91 A 4.6182 7.4018 121.3741 50.2144 21.7489 176.1521 92 E 4.3282 8.4686 121.5486 54.4294 28.7402 175.6602 93 L 3.9480 8.1918 123.5978 54.5362 42.4450 176.9556 94 A 4.7499 8.3418 125.1955 50.4299 22.0123 177.1849 95 T 4.1616 8.3474 115.7621 66.3326 68.8048 177.4053 96 S 4.4793 8.0722 113.9636 60.1289 63.1347 174.5932 97 Q 4.3520 7.9774 119.5366 56.3712 28.6691 175.0869 98 F 4.9395 7.7001 116.0768 55.8121 41.1018 175.2638 99 D 4.8098 8.9906 124.1593 53.3159 42.0736 177.0558 100 D 4.5729 8.6053 121.4295 56.6541 40.9377 177.4977 101 T 4.3067 8.0282 113.9730 63.2710 69.0879 175.0894 102 G 4.0456 8.2090 109.3742 45.9296 0.0000 173.1693 103 N 5.2557 8.1745 115.9440 51.3035 41.3911 173.6128 104 F 5.3368 7.9451 112.3185 54.9634 41.6363 173.2717 105 S 5.1254 8.6858 114.8662 56.5139 65.4519 172.9315 106 F 4.9548 9.4318 121.0801 54.2999 40.9627 175.0373 107 G 4.0136 8.7349 107.8961 45.6673 0.0000 172.2760 *128 L 4.1141 7.8848 123.7999 55.1341 43.4321 176.2490 129 D 4.7069 8.8211 127.0074 53.2891 42.6838 175.7923 130 V 4.4717 8.0595 123.4090 61.3655 33.9394 174.1268 131 T 4.7945 8.7453 125.3799 61.5304 71.5518 173.4860 132 V 4.4944 7.7534 125.2772 60.9394 34.7289 173.8148 133 N 4.8977 9.0790 126.9401 52.1564 40.1094 172.8722 134 L 5.1516 8.3195 126.4255 53.4686 43.6768 176.3902 135 V 4.2300 8.0010 120.9900 60.6871 35.2397 172.8628 136 R 4.3429 8.2362 120.0353 54.4696 31.4365 175.6556 137 P 4.3004 0.0000 0.0000 63.3363 32.3259 177.3841 138 G 4.2552 8.7294 107.0364 44.5717 0.0000 173.7084 139 Y 4.5992 8.1397 119.3524 58.1370 39.9261 176.6637 140 R 3.8740 7.9618 119.2319 60.0073 30.1886 178.0279 141 V 3.5889 7.9541 117.3955 65.1660 31.1734 176.8317 142 A 4.7343 7.3305 119.8281 51.3731 20.0149 177.3854 143 K 4.1171 7.4876 114.3955 56.3426 33.0547 176.6591 144 R 4.2964 7.6033 116.0247 55.3701 30.6842 176.2552 145 D 4.4872 8.2909 117.0354 56.6432 41.3846 177.4549 146 K 3.9728 7.8839 117.4568 57.5124 32.7865 177.1042 147 A 3.7898 8.6715 127.0819 52.9498 16.2092 177.0185 148 S 4.5664 7.7869 113.6560 59.5550 64.0428 174.2800 149 R 4.6850 9.0305 121.1894 54.9391 33.8259 173.9597 150 S 4.4067 8.5547 118.9324 57.7630 63.5669 173.6853 151 I 3.9921 8.2855 127.0769 60.2499 37.6601 174.5002 152 P 4.4489 0.0000 0.0000 62.5260 32.2192 177.4002 153 T 3.9501 8.6414 111.1210 64.8144 68.5900 176.3978 154 K 4.1345 8.0518 120.1617 58.5409 32.3320 176.9201 155 H 4.6511 7.9569 116.3316 55.9849 30.4681 175.0464 156 R 4.1243 7.2338 117.7775 55.9367 30.4716 176.2229 157 L 3.9759 8.3424 124.6325 55.2895 42.7463 176.7507 158 N 4.7924 8.4569 122.8189 51.8941 41.2229 174.6454 159 P 4.2605 0.0000 0.0000 65.7199 31.3613 179.0630 160 A 3.8751 7.8033 119.2094 55.0659 18.1712 179.1502 161 D 4.3558 7.9779 115.6565 56.6969 41.2878 178.2416 162 A 4.2799 7.5625 121.9512 54.8458 18.7173 179.6282 163 V 3.2085 7.3629 116.4885 66.0713 31.2908 178.1588 164 A 4.0498 7.5438 119.1302 54.5490 18.4159 179.1961 165 F 4.3849 7.9787 119.2604 61.6294 39.5643 177.6803 166 I 3.7263 7.7310 119.0094 64.1388 36.7955 177.8483 167 E 4.2366 7.9411 120.6872 58.0921 29.4339 177.6801 168 S 4.7128 7.1932 110.0715 57.7267 63.3852 174.5710 169 T 4.4536 7.3923 118.1174 63.0485 69.5009 173.8142 170 Y 3.6418 8.3776 119.3833 58.2114 36.0715 168.8988 171 D 4.7171 7.6022 117.3343 52.0105 42.7828 174.0969 172 V 4.1880 8.0379 119.0161 61.2329 33.8633 173.0835 173 E 4.8125 8.0472 119.1558 55.8374 31.7589 176.1607 174 V 3.9048 8.3679 117.2548 62.9573 32.5757 173.3032 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 10 F 8.17 4.88 0.00 3.35 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 H 6.81 3.39 0.00 3.04 2.49 0.00 5.46 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.34 4.03 0.00 1.69 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 13 M 7.82 4.32 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 14 R 7.06 4.34 0.00 1.70 1.92 0.00 3.27 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 15 E 7.77 4.06 0.00 2.10 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 0.00 2.52 2.26 0.00 16 P 0.00 4.38 0.00 0.49 1.46 0.00 3.35 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 1.69 1.83 0.00 17 R 8.28 4.72 0.00 1.86 1.96 0.00 2.77 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 18 I 8.35 4.21 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.87 0.98 0.00 0.00 19 E 9.23 4.30 0.00 2.00 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 0.00 2.38 2.47 0.00 20 K 7.78 4.85 0.00 1.78 1.83 0.00 1.48 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.40 7.81 21 V 8.69 4.49 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 0.95 0.00 0.00 0.95 0.00 0.00 22 V 8.53 4.46 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 0.81 0.00 0.00 0.85 0.00 0.00 23 V 8.58 4.75 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 0.63 0.00 0.00 0.45 0.00 0.00 24 H 9.03 5.14 0.00 3.11 3.01 0.00 5.52 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.53 4.52 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 26 G 8.31 3.67 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 0.00 27 I 8.65 3.76 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.71 0.91 0.00 0.00 28 G 5.38 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 H 7.45 4.63 0.00 3.22 3.40 0.00 5.76 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 *35 A 7.75 4.35 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 36 N 7.82 4.49 0.00 2.89 3.08 0.00 0.00 5.95 7.46 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 37 A 7.87 4.42 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.01 4.09 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 39 D 8.02 4.39 0.00 2.69 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 40 I 7.59 4.25 1.89 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 1.66 1.24 0.92 0.00 0.00 41 L 7.46 4.28 0.00 1.92 1.73 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.87 3.66 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 0.00 0.00 0.00 43 E 7.89 4.15 0.00 2.12 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 0.00 2.34 2.51 0.00 44 I 7.38 4.10 1.96 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 1.77 0.81 1.19 0.00 0.00 45 T 8.35 4.36 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 0.97 0.00 0.00 46 G 6.70 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 0.00 0.00 0.00 47 Q 7.41 4.54 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 48 M 8.43 4.05 0.00 1.98 2.00 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 2.57 2.52 0.00 49 P 0.00 4.87 0.00 2.09 2.02 0.00 3.74 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 1.94 1.97 0.00 50 V 8.36 4.56 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 0.71 0.00 0.00 0.99 0.00 0.00 51 R 8.64 4.57 0.00 1.68 1.85 0.00 3.30 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 52 T 8.72 4.54 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 53 K 8.93 5.13 0.00 1.62 1.74 0.00 1.73 0.00 0.00 0.61 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.26 7.81 54 A 8.13 4.81 1.17 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 0.00 0.00 55 K 8.30 4.48 0.00 1.70 1.69 0.00 1.87 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.40 7.81 56 R 8.56 3.87 0.00 1.96 1.96 0.00 3.20 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 57 T 8.53 3.96 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 1.19 0.00 0.00 58 V 8.22 4.42 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 1.02 0.00 0.00 0.94 0.00 0.00 59 G 8.65 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.76 4.65 0.00 2.18 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 2.21 2.24 0.00 61 F 8.28 4.08 0.00 3.11 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 62 D 7.33 4.86 0.00 2.83 2.48 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 63 I 7.23 4.05 1.79 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.55 0.86 0.00 0.00 64 R 7.46 4.30 0.00 1.68 1.97 0.00 3.17 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 65 E 8.19 4.06 0.00 2.02 1.80 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 2.35 2.39 0.00 66 G 7.56 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 7.79 4.61 0.00 2.75 2.68 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 68 P 0.00 4.47 0.00 2.06 2.09 0.00 3.65 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 2.02 2.10 0.00 69 I 8.71 4.19 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.75 0.90 0.00 0.00 70 G 7.60 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 0.00 0.00 0.00 0.00 71 A 8.24 5.39 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 72 K 9.02 5.15 0.00 1.74 1.87 0.00 1.50 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.18 7.81 73 V 8.08 4.67 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.86 0.00 0.00 74 T 8.56 4.74 4.19 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 1.16 0.00 0.00 75 L 8.74 4.60 0.00 1.52 1.52 0.33 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.09 4.82 0.00 1.63 1.78 0.00 3.36 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 77 D 9.04 4.37 0.00 2.87 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 78 E 9.23 4.12 0.00 2.03 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 2.42 2.41 0.00 79 M 8.08 4.23 0.00 1.98 2.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 80 A 7.79 4.37 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 81 E 7.82 4.06 0.00 2.12 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 2.40 2.41 0.00 82 E 8.16 4.07 0.00 2.10 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 2.42 0.00 83 F 8.14 4.35 0.00 3.30 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 84 L 8.02 4.22 0.00 1.98 1.81 1.09 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 7.76 4.04 0.00 1.88 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.20 0.00 0.00 0.00 0.00 0.00 2.17 2.48 0.00 86 T 7.33 4.44 4.08 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 1.13 0.00 0.00 87 A 7.48 4.48 1.09 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 88 L 7.93 3.90 0.00 1.82 1.68 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.26 0.00 2.00 2.09 0.00 3.62 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 90 L 7.37 4.18 0.00 1.97 1.75 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.40 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.47 4.33 0.00 1.96 1.93 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 2.24 2.30 0.00 93 L 8.19 3.95 0.00 1.58 1.60 0.77 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.34 4.75 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 95 T 8.35 4.16 4.27 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 1.17 0.00 0.00 96 S 8.07 4.48 0.00 4.03 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 97 Q 7.98 4.35 0.00 2.52 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 98 F 7.70 4.94 0.00 3.22 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 99 D 8.99 4.81 0.00 2.84 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 0.00 100 D 8.61 4.57 0.00 2.73 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.03 4.31 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 102 G 8.21 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.17 5.26 0.00 2.82 2.83 0.00 0.00 6.51 8.13 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 0.00 104 F 7.95 5.34 0.00 2.75 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.69 5.13 0.00 3.76 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 F 9.43 4.95 0.00 3.11 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 0.00 107 G 8.73 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 *128 L 7.88 4.11 0.00 1.77 1.65 0.95 1.22 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 0.00 129 D 8.82 4.71 0.00 2.76 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 0.00 130 V 8.06 4.47 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 0.85 0.00 0.00 0.77 0.00 0.00 131 T 8.75 4.79 4.08 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 1.10 0.00 0.00 132 V 7.75 4.49 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 0.98 0.00 0.00 0.70 0.00 0.00 133 N 9.08 4.90 0.00 2.73 2.74 0.00 0.00 6.89 7.06 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 0.00 134 L 8.32 5.15 0.00 1.64 1.56 1.35 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.00 4.23 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 0.23 0.00 0.00 0.33 0.00 0.00 136 R 8.24 4.34 0.00 1.66 1.77 0.00 3.14 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.50 0.00 137 P 0.00 4.30 0.00 2.18 2.11 0.00 3.83 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 2.05 2.09 0.00 138 G 8.73 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 0.00 0.00 0.00 0.00 139 Y 8.14 4.60 0.00 2.94 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 0.00 140 R 7.96 3.87 0.00 1.93 1.92 0.00 3.25 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 141 V 7.95 3.59 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 0.94 0.00 0.00 0.99 0.00 0.00 142 A 7.33 4.73 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.49 4.12 0.00 1.60 1.74 0.00 1.63 0.00 0.00 1.51 0.00 0.00 2.71 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.83 1.11 7.81 144 R 7.60 4.30 0.00 1.91 1.97 0.00 3.08 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 145 D 8.29 4.49 0.00 2.67 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 0.00 146 K 7.88 3.97 0.00 1.73 1.74 0.00 1.89 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.42 7.81 147 A 8.67 3.79 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 0.00 148 S 7.79 4.57 0.00 3.84 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 0.00 149 R 9.03 4.68 0.00 1.84 1.73 0.00 3.13 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 150 S 8.55 4.41 0.00 3.92 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 0.00 151 I 8.29 3.99 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.23 1.04 0.00 0.00 152 P 0.00 4.45 0.00 2.21 2.00 0.00 3.65 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 153 T 8.64 3.95 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 0.00 154 K 8.05 4.13 0.00 1.79 1.94 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.50 7.81 155 H 7.96 4.65 0.00 3.10 3.35 0.00 5.95 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 0.00 156 R 7.23 4.12 0.00 2.15 1.87 0.00 3.43 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.75 0.00 157 L 8.34 3.98 0.00 1.49 1.75 0.82 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.46 4.79 0.00 2.82 2.69 0.00 0.00 7.16 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 0.00 159 P 0.00 4.26 0.00 2.11 2.12 0.00 3.58 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.35 0.00 160 A 7.80 3.88 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 D 7.98 4.36 0.00 2.63 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 0.00 162 A 7.56 4.28 1.51 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 0.00 0.00 163 V 7.36 3.21 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 0.79 0.00 0.00 -0.01 0.00 0.00 164 A 7.54 4.05 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 0.00 165 F 7.98 4.38 0.00 3.24 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 7.73 3.73 1.81 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.65 0.92 0.00 0.00 167 E 7.94 4.24 0.00 2.15 1.93 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 2.27 2.12 0.00 168 S 7.19 4.71 0.00 4.05 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 0.00 169 T 7.39 4.45 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 170 Y 8.38 3.64 0.00 3.02 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 0.00 171 D 7.60 4.72 0.00 2.85 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 0.00 172 V 8.04 4.19 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 0.84 0.00 0.00 0.91 0.00 0.00 173 E 8.05 4.81 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 174 V 8.37 3.90 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 0.98 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.