NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.1736 8.3444 121.7136 55.9258 30.0006 173.7294 3 N 4.7545 8.0415 119.7076 50.7009 40.5547 174.1162 4 A 3.4251 8.9600 126.2896 54.6270 19.8737 179.0169 5 D 4.5337 7.7902 115.0115 56.4044 41.7920 178.4673 6 D 4.2290 7.6217 118.3829 57.0618 40.5685 178.7173 7 F 4.0447 7.7847 117.8197 60.6823 39.0741 177.3596 8 I 3.6202 7.1707 118.2826 64.2354 37.5890 177.1602 9 K 3.8832 8.0336 121.0872 58.7517 31.7775 178.5883 10 F 4.1660 8.6015 119.2864 60.7128 39.1425 177.2177 11 L 3.9373 8.2546 118.6158 55.2969 42.0648 176.3878 12 E 3.7450 7.7683 117.0828 57.2941 26.7922 174.2528 13 L 4.5837 7.9840 118.1540 54.7301 43.3183 178.2444 14 E 4.9759 9.2249 119.8985 54.3129 33.9115 175.2666 15 Q 3.9377 9.1161 121.0539 57.0034 29.6155 175.9457 16 H 4.7647 9.0693 123.0922 53.8615 31.5782 175.6971 17 V 3.1652 8.5858 126.6553 64.3808 31.1628 176.5707 18 E 4.3655 8.3699 116.7483 55.4599 30.3117 175.0270 19 G 4.2753 8.9411 106.5979 45.1533 0.0000 175.6302 20 G 3.7405 8.6111 109.1036 45.4789 0.0000 172.2479 21 F 5.4582 7.8750 115.7872 56.1392 43.2038 174.2348 22 Y 5.2086 8.7393 118.2139 56.6265 42.1492 173.1980 23 R 4.0597 8.0196 114.7812 55.7578 34.5368 173.8291 24 S 4.5926 8.8591 123.5976 58.8717 63.0313 173.9913 25 S 4.2006 8.4978 121.9399 60.8334 63.1093 174.0922 26 Y 4.8605 7.7455 116.2558 56.0265 43.2044 173.3361 27 R 4.3738 8.3778 119.4232 54.9519 32.8958 174.2552 28 S 3.2944 5.9970 120.8281 58.9358 62.1222 174.3241 29 E 4.1627 8.6243 124.4234 57.9756 30.3376 176.9899 30 T 4.1995 7.4253 116.5604 62.6303 69.3856 174.1709 31 A 4.7110 8.3221 128.1354 51.8648 19.8414 176.8270 32 F 4.6973 8.8070 121.9541 59.6827 40.3853 175.5282 33 D 4.6651 7.7579 117.0034 51.7633 44.9354 174.5643 34 P 4.4116 0.0000 0.0000 65.1569 32.7958 177.0876 35 S 4.7674 7.4069 113.6529 57.6119 60.9111 178.2481 36 R 4.0363 9.1190 116.5277 56.7346 30.5268 175.4881 37 Q 4.2593 8.3012 118.9926 55.0637 30.3673 176.4618 38 L 4.2379 8.1971 123.1826 57.9762 42.3705 176.8799 39 W 5.6293 7.4367 113.2242 55.5778 31.9730 172.9424 40 S 5.0845 8.7898 112.7945 57.1661 65.6613 173.4955 41 S 5.2677 9.4999 116.8518 56.8344 66.2266 172.5096 42 I 5.2238 8.3225 116.8428 59.7825 40.8924 173.8610 43 Y 4.8984 9.4695 121.7396 58.0096 40.0313 174.7854 44 F 5.1548 8.7829 122.9057 57.6708 43.1747 172.8374 45 L 5.8537 8.7392 128.1795 52.6015 45.8778 174.6364 46 L 5.0115 8.2209 122.6352 53.9006 45.6545 175.2701 47 R 5.0317 8.3886 125.5590 54.6609 32.6055 177.7613 48 T 4.0687 8.2875 116.4293 65.3280 68.8079 175.0968 49 G 4.1722 8.9319 107.7991 45.1187 0.0000 171.7385 50 E 4.7901 7.9874 119.3568 54.7043 32.2658 174.5164 51 V 4.5031 7.7160 110.6220 60.5908 36.6643 173.5092 52 S 5.0316 9.3519 118.5725 57.5529 63.5337 173.0675 53 H 4.8794 9.3415 125.6368 55.1020 29.6017 175.2362 54 F 4.5639 8.6600 120.6399 57.7512 40.1662 174.3338 55 H 4.9588 8.3519 114.6505 55.3333 30.9368 172.7435 56 R 5.3824 8.9638 120.4366 54.2307 32.6272 175.0277 57 L 5.1693 8.3606 120.5263 53.2208 46.5590 176.6146 58 T 4.8131 8.8369 118.1586 63.4781 69.4749 173.8857 59 A 4.8039 7.6391 121.6172 51.0020 22.4662 176.2819 60 D 4.7438 8.5019 119.3520 55.0551 43.0793 174.2018 61 E 4.8214 8.1489 117.0526 55.9172 34.0135 173.3706 *63 W 5.0769 8.3397 118.3394 56.9525 30.8177 174.1649 64 Y 5.1084 9.1330 122.4765 56.0277 40.5375 174.6113 65 F 4.7305 8.9855 127.3219 58.4976 39.5689 174.4549 66 H 4.8269 8.3447 123.5224 57.2749 29.5485 175.2079 67 A 4.2816 6.9523 116.8691 50.4772 22.4284 176.4151 68 G 3.6626 8.8968 104.3803 44.0749 0.0000 175.6810 69 Q 4.8183 8.4732 126.0658 53.4675 30.6305 174.5834 70 S 4.5525 8.7768 120.3759 58.9096 64.1525 172.6546 71 L 5.1551 8.8327 119.7996 53.4520 46.7782 175.3537 72 T 4.8152 8.8786 115.8429 61.9007 72.2323 173.4046 73 I 4.3459 8.0931 127.2949 59.8926 39.1157 174.9940 74 Y 4.7121 8.3864 124.3743 56.3464 41.1970 174.9292 *76 I 4.2727 8.0086 120.1283 60.9508 38.6194 176.2736 77 S 4.4401 8.6304 122.5293 57.2068 63.4687 173.7440 78 P 4.4184 0.0000 0.0000 65.8385 31.0183 176.9971 79 E 4.2330 8.2361 116.3632 56.2570 29.2710 177.0102 80 G 3.9275 8.6850 106.9375 45.9341 0.0000 173.1202 81 E 4.3955 8.5705 121.8034 54.9254 31.0916 174.7472 82 L 4.8451 8.4589 129.1048 53.9989 43.2118 175.3831 83 T 4.9098 8.3527 115.3875 60.2859 72.3549 173.2098 84 T 5.1407 8.3904 111.0987 60.2304 71.5438 172.7492 85 A 4.5735 8.0055 126.2061 50.0241 22.7921 174.5443 86 Q 4.7174 8.1641 117.9911 54.1604 31.1913 174.4081 87 L 4.7140 8.6030 126.5553 53.2149 44.3839 175.9408 88 G 3.3437 7.0360 113.8759 46.1413 0.0000 171.4901 89 L 4.3004 7.6822 117.4686 54.6816 43.2488 176.5567 90 D 4.4839 7.7597 118.4415 53.5933 39.7600 176.2108 91 L 4.2477 8.5351 125.5372 56.8344 42.0382 178.8729 92 A 4.0457 8.0251 119.9693 54.7584 18.9630 177.6411 93 A 4.4106 7.3396 121.4335 52.3535 19.6034 178.0771 94 G 3.9349 8.4405 107.5863 45.7936 0.0000 173.3436 95 E 4.2201 7.6889 120.1144 56.1758 30.4418 175.9712 96 R 4.6837 8.3940 124.7536 53.7769 32.9836 174.1757 97 P 4.4540 0.0000 0.0000 65.1524 32.3847 175.6889 98 Q 5.3976 7.5903 115.7525 53.2589 32.5661 174.2940 99 F 4.3894 7.9673 119.8337 57.3929 42.4015 172.7470 100 L 4.6323 6.2685 124.7685 53.2425 44.2469 176.0104 101 V 4.1858 8.3292 121.2705 59.0886 32.5065 174.0790 102 P 4.6217 0.0000 0.0000 62.1626 32.3959 176.1856 103 K 4.1037 8.9483 122.8943 58.5480 32.8051 177.1129 104 G 4.0949 8.6067 111.1654 45.5159 0.0000 173.3945 105 C 4.5457 7.6468 113.2813 57.1927 32.0043 171.4919 106 I 5.2993 7.9265 120.0765 60.1227 39.7307 175.2194 107 F 5.9174 8.8875 121.4591 54.8157 42.2219 173.9843 108 G 4.1288 7.8852 105.1894 45.8049 0.0000 170.6820 109 S 5.2450 8.6312 111.4962 57.2145 66.0173 173.3278 110 A 4.4056 8.7159 129.1361 51.4790 22.9517 178.0739 *112 N 4.6847 8.9821 110.1360 53.9628 40.9022 174.5889 113 Q 4.7246 7.8935 114.3780 53.4950 32.6153 174.4147 114 D 4.6645 8.6109 119.2791 53.0810 42.1590 178.1175 115 G 4.0570 7.5163 109.3735 46.1316 0.0000 170.6590 116 F 5.3545 8.0600 116.0965 55.3627 42.1791 174.9682 117 S 4.5722 9.2410 115.3504 57.0361 67.3468 172.7167 118 L 5.1760 8.6890 128.0237 53.2038 44.0348 175.5590 119 V 4.7892 9.0164 125.1550 59.8529 35.7072 174.2773 120 G 4.3685 9.6263 108.0642 44.8942 0.0000 171.9231 121 C 4.8691 8.4694 118.8014 57.9763 33.6129 172.8891 *123 V 4.2273 8.1370 118.2661 62.7100 32.4707 174.7417 124 S 3.8260 8.8561 122.0827 58.4148 63.1656 175.1398 125 P 3.5231 0.0000 0.0000 65.6337 26.3938 175.1430 126 G 3.5470 8.4234 102.1206 45.4564 0.0000 172.4338 127 F 4.4351 8.4064 132.7506 58.5825 40.0737 174.4726 128 T 4.1100 8.4911 116.1153 59.3820 71.9309 174.8777 129 F 4.3033 8.2152 119.8500 60.0400 39.1958 177.6811 130 D 4.4600 7.7945 118.8489 56.8591 40.9102 176.6548 131 D 5.5175 8.2766 117.6063 53.2385 41.9515 175.7410 132 F 5.4594 8.1781 121.0281 56.8010 42.8357 174.8065 133 E 4.1410 6.6834 117.9145 55.3706 31.7522 174.0335 134 L 4.4112 7.9358 129.5813 54.1278 43.4579 175.4636 135 F 4.8708 8.1138 122.3741 55.4270 41.4519 175.6773 136 S 4.2223 8.7562 117.7531 58.0467 62.6707 174.2680 137 Q 4.0243 9.0918 129.2259 59.6138 28.5853 178.5702 138 E 3.9305 8.3079 118.6999 59.6312 29.1107 179.1787 139 A 4.0902 8.1995 120.3586 54.7856 18.1735 178.7260 140 L 4.3536 7.3954 114.6760 55.3868 41.7156 177.3876 141 L 4.6172 7.6246 117.8787 54.7216 43.8363 177.4386 142 A 3.9836 7.3588 118.5506 53.9524 18.5585 177.1181 *144 Y 5.4690 7.3494 112.4861 57.8255 38.9129 174.1896 145 P 4.4900 0.0000 0.0000 65.0622 32.7487 178.8445 146 Q 4.0622 8.1129 116.5620 59.7195 28.7161 178.0074 147 H 4.4215 8.4257 113.5408 56.8938 28.8052 178.4318 148 K 4.5472 7.9447 121.5425 59.5345 32.9699 176.6224 149 A 3.8825 8.4359 120.2892 56.1297 18.1197 179.4986 150 V 3.5134 7.7027 115.2073 64.4354 31.5859 178.6133 151 V 3.9828 7.8120 117.4884 65.0238 31.3552 176.8581 152 Q 4.4910 7.8648 115.8054 57.2173 29.6837 177.5086 153 K 4.1900 7.8006 118.6390 57.8757 32.4539 177.1942 154 L 4.6142 7.6359 119.3556 53.5342 42.5038 175.6015 155 S 5.1875 7.9037 112.6861 58.4063 67.0585 173.8689 156 R 4.7603 8.0714 118.8066 54.0815 33.7651 173.7312 157 P 4.5025 0.0000 0.0000 63.7047 32.1593 176.2901 158 E 4.1701 9.0806 118.9715 57.1598 30.1670 174.7839 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 Q 8.34 4.17 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 1.83 2.09 0.00 3 N 8.04 4.75 0.00 2.73 2.93 0.00 0.00 7.38 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 4 A 8.96 3.43 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 0.00 0.00 0.00 0.00 0.00 5 D 7.79 4.53 0.00 2.60 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 6 D 7.62 4.23 0.00 2.55 2.83 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 7 F 7.78 4.04 0.00 3.00 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 8 I 7.17 3.62 1.43 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.07 0.76 0.00 0.00 9 K 8.03 3.88 0.00 1.66 1.49 0.00 1.16 0.00 0.00 0.61 0.00 0.00 2.26 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.01 1.16 7.81 10 F 8.60 4.17 0.00 3.01 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 11 L 8.25 3.94 0.00 1.66 1.45 0.65 -0.02 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 12 E 7.77 3.75 0.00 2.09 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 0.00 2.24 2.47 0.00 13 L 7.98 4.58 0.00 1.44 1.68 0.91 0.69 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 14 E 9.22 4.98 0.00 1.79 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 2.23 2.20 0.00 15 Q 9.12 3.94 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.70 0.00 0.00 0.00 0.00 0.00 2.19 2.51 0.00 16 H 9.07 4.76 0.00 3.13 3.39 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.59 3.17 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 0.96 0.00 0.00 0.99 0.00 0.00 18 E 8.37 4.37 0.00 2.27 2.38 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 2.09 2.36 0.00 19 G 8.94 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 20 G 8.61 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 21 F 7.87 5.46 0.00 2.88 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 22 Y 8.74 5.21 0.00 3.47 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.02 4.06 0.00 1.83 1.84 0.00 3.20 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.74 0.00 24 S 8.86 4.59 0.00 3.90 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 25 S 8.50 4.20 0.00 3.75 3.33 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 26 Y 7.75 4.86 0.00 3.19 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 27 R 8.38 4.37 0.00 1.70 1.62 0.00 3.20 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.59 0.00 28 S 6.00 3.29 0.00 2.72 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 29 E 8.62 4.16 0.00 1.96 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 0.00 2.24 2.27 0.00 30 T 7.43 4.20 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 31 A 8.32 4.71 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 0.00 0.00 0.00 0.00 0.00 32 F 8.81 4.70 0.00 3.03 3.39 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 33 D 7.76 4.67 0.00 2.76 2.45 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 0.00 34 P 0.00 4.41 0.00 2.03 2.12 0.00 3.63 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 2.01 2.06 0.00 35 S 7.41 4.77 0.00 4.02 3.15 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 36 R 9.12 4.04 0.00 2.08 1.96 0.00 3.24 0.00 0.00 3.46 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.86 0.00 37 Q 8.30 4.26 0.00 1.87 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.18 0.00 38 L 8.20 4.24 0.00 1.96 1.74 1.21 1.18 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 39 W 7.44 5.63 0.00 3.45 3.13 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 40 S 8.79 5.08 0.00 3.97 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 9.50 5.27 0.00 4.05 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 42 I 8.32 5.22 2.24 0.00 0.00 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 1.52 0.60 1.12 0.00 0.00 43 Y 9.47 4.90 0.00 3.08 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 44 F 8.78 5.15 0.00 3.01 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 45 L 8.74 5.85 0.00 1.68 1.49 0.89 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.22 5.01 0.00 1.91 1.56 1.05 1.13 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 47 R 8.39 5.03 0.00 2.40 1.94 0.00 3.25 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 48 T 8.29 4.07 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 1.30 0.00 0.00 49 G 8.93 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 0.00 0.00 0.00 50 E 7.99 4.79 0.00 2.08 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 2.34 2.37 0.00 51 V 7.72 4.50 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 0.78 0.00 0.00 0.72 0.00 0.00 52 S 9.35 5.03 0.00 4.16 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 53 H 9.34 4.88 0.00 3.18 3.37 0.00 5.95 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.66 4.56 0.00 3.13 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 H 8.35 4.96 0.00 2.96 3.26 0.00 5.61 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.96 5.38 0.00 2.27 2.09 0.00 3.23 0.00 0.00 3.22 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 57 L 8.36 5.17 0.00 1.93 1.81 1.15 0.96 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 58 T 8.84 4.81 4.34 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 1.29 0.00 0.00 59 A 7.64 4.80 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 60 D 8.50 4.74 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.15 4.82 0.00 2.18 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 0.00 2.68 2.38 0.00 *63 W 8.34 5.08 0.00 3.33 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 9.13 5.11 0.00 2.72 2.83 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 65 F 8.99 4.73 0.00 3.14 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 66 H 8.34 4.83 0.00 3.12 3.27 0.00 5.75 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 67 A 6.95 4.28 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 0.00 0.00 0.00 0.00 0.00 68 G 8.90 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 69 Q 8.47 4.82 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.87 0.00 0.00 0.00 0.00 0.00 2.49 2.32 0.00 70 S 8.78 4.55 0.00 3.82 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 71 L 8.83 5.16 0.00 1.61 1.83 1.29 0.84 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 72 T 8.88 4.82 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 0.41 0.00 0.00 73 I 8.09 4.35 1.05 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.34 0.32 0.00 0.00 74 Y 8.39 4.71 0.00 2.73 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 *76 I 8.01 4.27 1.33 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.33 -0.09 0.00 0.00 77 S 8.63 4.44 0.00 3.99 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 78 P 0.00 4.42 0.00 2.24 2.27 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 79 E 8.24 4.23 0.00 2.00 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 2.32 0.00 80 G 8.68 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 0.00 0.00 0.00 81 E 8.57 4.40 0.00 2.01 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 2.26 2.25 0.00 82 L 8.46 4.85 0.00 1.17 1.42 0.94 0.91 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 83 T 8.35 4.91 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 1.17 0.00 0.00 84 T 8.39 5.14 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 1.02 0.00 0.00 85 A 8.01 4.57 0.42 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 86 Q 8.16 4.72 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 87 L 8.60 4.71 0.00 1.63 1.60 1.15 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 88 G 7.04 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 0.00 0.00 0.00 89 L 7.68 4.30 0.00 1.48 1.61 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 90 D 7.76 4.48 0.00 2.62 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 91 L 8.54 4.25 0.00 1.65 1.68 0.90 0.93 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 92 A 8.03 4.05 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.34 4.41 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 94 G 8.44 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 0.00 0.00 0.00 95 E 7.69 4.22 0.00 2.15 1.63 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 2.20 2.16 0.00 96 R 8.39 4.68 0.00 1.82 1.89 0.00 3.14 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 97 P 0.00 4.45 0.00 2.17 2.20 0.00 3.58 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 2.13 2.23 0.00 98 Q 7.59 5.40 0.00 1.80 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.79 0.00 0.00 0.00 0.00 0.00 1.92 2.18 0.00 99 F 7.97 4.39 0.00 2.92 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 6.27 4.63 0.00 1.35 1.02 0.73 0.92 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 0.00 101 V 8.33 4.19 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 0.39 0.00 0.00 0.46 0.00 0.00 102 P 0.00 4.62 0.00 2.05 2.09 0.00 3.59 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.90 0.00 103 K 8.95 4.10 0.00 1.91 2.02 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.62 1.41 7.81 104 G 8.61 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 0.00 105 C 7.65 4.55 0.00 3.34 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 0.00 106 I 7.93 5.30 1.62 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.61 0.65 0.00 0.00 107 F 8.89 5.92 0.00 3.03 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.89 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 0.00 0.00 0.00 109 S 8.63 5.25 0.00 3.80 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 0.00 110 A 8.72 4.41 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 *112 N 8.98 4.68 0.00 2.65 2.93 0.00 0.00 6.53 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.89 4.72 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 114 D 8.61 4.66 0.00 2.70 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 7.52 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 0.00 0.00 0.00 116 F 8.06 5.35 0.00 3.08 3.15 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 0.00 117 S 9.24 4.57 0.00 3.81 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.69 5.18 0.00 1.22 1.11 0.88 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 119 V 9.02 4.79 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 1.18 0.00 0.00 120 G 9.63 4.37 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 0.00 121 C 8.47 4.87 0.00 2.58 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *123 V 8.14 4.23 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 1.04 0.00 0.00 0.94 0.00 0.00 124 S 8.86 3.83 0.00 3.95 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 0.00 125 P 0.00 3.52 0.00 1.83 1.40 0.00 3.52 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.44 0.00 126 G 8.42 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 F 8.41 4.44 0.00 2.81 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 8.49 4.11 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 1.19 0.00 0.00 129 F 8.22 4.30 0.00 3.12 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 7.79 4.46 0.00 2.76 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.28 5.52 0.00 2.89 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 8.18 5.46 0.00 3.39 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 E 6.68 4.14 0.00 1.85 1.53 0.00 0.00 0.00 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 1.61 0.00 134 L 7.94 4.41 0.00 1.51 1.42 1.09 0.89 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 0.00 135 F 8.11 4.87 0.00 3.03 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 0.00 136 S 8.76 4.22 0.00 3.89 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 0.00 137 Q 9.09 4.02 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.64 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 138 E 8.31 3.93 0.00 2.11 2.00 0.00 0.00 0.00 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 2.46 0.00 139 A 8.20 4.09 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 0.00 140 L 7.40 4.35 0.00 1.78 1.66 1.04 1.00 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 0.00 141 L 7.62 4.62 0.00 1.85 1.65 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.36 3.98 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 *144 Y 7.35 5.47 0.00 2.93 2.89 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 0.00 145 P 0.00 4.49 0.00 2.02 2.08 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.42 0.00 146 Q 8.11 4.06 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 7.03 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 147 H 8.43 4.42 0.00 3.23 3.36 0.00 5.66 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 7.94 4.55 0.00 2.03 1.78 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.53 7.81 149 A 8.44 3.88 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 0.00 150 V 7.70 3.51 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 0.93 0.00 0.00 0.67 0.00 0.00 151 V 7.81 3.98 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.96 0.00 0.00 152 Q 7.86 4.49 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.79 0.00 0.00 0.00 0.00 0.00 2.49 2.73 0.00 153 K 7.80 4.19 0.00 1.74 1.70 0.00 1.50 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.47 7.81 154 L 7.64 4.61 0.00 1.19 1.15 -0.13 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 155 S 7.90 5.19 0.00 4.09 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 0.00 156 R 8.07 4.76 0.00 1.75 1.78 0.00 3.22 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 157 P 0.00 4.50 0.00 2.19 2.07 0.00 3.93 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 2.00 2.00 0.00 158 E 9.08 4.17 0.00 2.08 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 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.