NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 G 3.9095 8.3544 109.7369 45.3146 0.0000 172.8496 -2 S 4.4742 8.3460 113.6701 57.4031 62.9150 172.8138 -1 N 4.4701 9.2943 126.1478 53.5885 39.6260 174.7101 -2 M 4.4842 8.3160 117.5701 54.5031 32.0150 174.5138 -1 K 4.0501 9.1843 127.8478 56.6885 33.8260 176.1101 3 A 5.2030 9.2229 123.9540 50.9733 23.4028 175.1605 4 V 5.0979 8.9173 117.3928 60.9197 35.5579 173.5467 5 C 5.0292 9.3302 122.5847 58.2084 35.0754 172.6662 6 V 4.4034 8.5688 126.8098 62.0480 32.8719 174.0537 7 M 5.1769 8.8909 128.4427 54.0148 34.4987 175.4034 8 T 4.7720 8.5676 112.4955 60.9671 73.2820 172.5327 9 G 4.3423 7.7469 107.1033 46.3120 0.0000 174.2142 10 T 4.4759 8.8050 114.1010 61.5013 68.9856 174.0948 11 A 4.4590 8.1360 121.9561 52.2778 19.4232 178.4194 12 G 3.9035 8.2375 105.0248 45.9484 0.0000 173.1909 13 V 4.6209 7.4392 118.7309 60.7758 33.4289 174.6850 14 K 4.8691 8.2255 124.3882 56.2191 36.6587 175.0984 15 G 3.9343 8.4210 106.7033 46.3527 0.0000 172.0588 16 V 4.8485 7.6359 118.6775 61.1452 35.2362 174.3364 17 V 4.7565 8.8573 127.3762 60.9403 34.4021 174.2596 18 K 5.0869 9.0956 126.1629 54.6114 35.9213 175.1475 19 F 5.6386 9.4166 122.0496 55.9753 43.2439 174.0655 20 T 5.6333 9.0744 111.8707 60.2615 72.2934 173.0713 21 Q 4.8287 8.5601 124.8852 55.1708 30.6436 174.1469 22 E 4.2556 9.1015 127.2518 58.2264 30.2669 177.2797 23 T 4.7349 7.4459 107.7440 59.2467 72.0017 173.9841 24 D 4.6875 8.9518 122.8070 57.0514 41.1371 176.9767 25 N 4.7697 8.0075 112.6640 52.2362 37.8596 174.6629 26 G 3.9789 8.0359 108.4669 43.6909 0.0000 171.6753 27 P 4.5812 0.0000 0.0000 62.7462 32.4455 175.7600 28 V 4.5554 8.7930 121.5736 61.7367 33.8099 174.0855 29 H 5.2408 9.3104 125.8509 54.7773 30.5730 174.1805 30 V 4.8235 9.3662 123.8357 61.3126 34.1643 173.6854 31 H 5.5670 9.1749 127.0855 54.4436 33.0280 171.9023 32 A 4.9941 8.9755 126.0158 50.3994 23.1524 174.5888 33 E 4.9902 8.3180 118.4070 54.7402 34.0751 174.9028 34 F 5.4256 9.1027 121.2742 55.9475 44.0512 173.6497 35 S 4.9234 9.0359 114.5072 57.6243 66.7327 174.8600 36 G 4.1704 8.8430 107.3598 46.7469 0.0000 173.4686 37 L 4.3361 7.7670 119.7292 52.8839 42.8226 176.3873 38 K 4.3146 8.3469 122.7697 55.7335 32.8880 176.6424 39 A 4.1004 8.4797 128.2769 53.3578 19.0556 175.9707 40 G 3.7371 8.1653 107.1299 43.8408 0.0000 172.6405 41 K 4.8367 8.3181 118.5329 56.1783 33.5118 176.5742 42 H 4.9347 9.2173 120.8843 53.5720 32.5602 173.3238 43 G 4.0846 8.9637 111.1866 46.9134 0.0000 172.2492 44 F 5.5262 8.9072 124.9967 57.0403 42.6327 173.0138 45 H 4.9089 8.8335 122.1806 54.3560 34.1879 172.4879 46 V 4.4073 8.5739 120.7134 62.5751 32.6093 174.9590 47 H 5.1076 9.2158 125.2257 54.1877 31.0450 175.6189 48 E 3.6740 8.9080 122.2528 59.1309 29.5761 177.1169 49 F 4.9551 7.9746 116.8917 55.2089 41.1953 175.8751 50 G 4.2968 8.5821 109.2352 45.4328 0.0000 173.3907 51 D 4.7251 8.2255 120.7756 52.6539 41.8775 175.5508 52 T 4.3969 8.2645 116.6813 61.4751 69.6771 174.9373 53 T 4.1752 7.7181 112.8244 62.6536 69.4413 172.6014 54 N 4.0101 9.1477 117.0615 55.1848 37.6524 173.8957 55 G 4.2526 9.0373 99.5263 46.7684 0.0000 175.5673 56 C 4.0297 8.2910 112.4707 57.4374 39.3472 175.7029 57 T 3.9382 7.7194 108.8481 63.1714 68.3929 175.2931 58 S 4.6830 7.8725 117.3519 58.3411 63.7195 175.3425 59 A 3.9562 7.8449 125.3380 53.2703 18.3944 179.0736 60 G 3.6997 7.6294 103.2958 44.3700 0.0000 172.3375 61 A 4.4806 8.0266 120.4500 50.9464 20.8443 176.7425 62 H 4.4147 8.4004 115.4770 55.8008 29.6429 175.9570 63 F 4.2483 9.2253 125.7317 58.2019 40.2573 175.0731 64 N 5.1064 7.8593 125.1646 51.6833 38.8271 173.0760 65 P 4.1427 0.0000 0.0000 65.2117 32.1371 177.9542 66 T 4.0917 7.5571 107.0925 60.6819 69.6896 174.3672 67 K 3.8186 7.5000 120.7931 58.3594 29.8016 172.9438 68 Q 4.6590 7.4756 115.5038 53.7225 32.5541 175.6476 69 E 4.4046 8.1758 118.1351 55.8206 31.2947 175.9333 70 H 4.0876 8.5925 122.0116 56.8522 30.5537 174.8714 71 G 4.3264 8.1895 109.5789 45.3403 0.0000 171.9142 72 A 4.6031 9.0705 122.6505 50.3919 19.8678 176.9940 73 P 4.2977 0.0000 0.0000 65.6781 31.4463 177.9369 74 E 4.1845 8.0367 113.5816 57.7577 30.1444 176.7466 75 D 4.6189 7.7210 120.0876 53.9221 41.5053 176.6919 76 S 4.1688 8.5830 116.3188 60.4189 63.7534 174.2794 77 I 4.3920 7.3007 122.6500 59.8702 37.6243 174.5720 78 R 4.6920 7.8317 119.5143 56.3617 32.3897 174.1337 79 H 4.5022 8.8025 116.6291 55.2890 29.4566 176.8222 80 V 3.4823 8.3638 123.0215 66.2800 31.6736 177.0351 81 G 3.9251 8.4154 105.1647 46.9889 0.0000 173.2159 82 D 5.0091 8.2086 121.5337 53.7000 40.7325 175.9073 83 L 4.6517 8.3161 123.1540 52.9768 42.8536 178.3451 84 G 4.1312 8.5079 110.3682 46.7156 0.0000 174.8734 85 N 5.6887 8.8777 120.3566 51.1922 42.1466 172.7399 86 V 4.3801 8.8426 122.4443 61.5443 33.6524 174.5840 87 V 4.7817 8.4979 127.1625 61.2980 33.0752 174.3839 88 A 4.8395 9.0943 130.5899 50.5190 21.6007 177.2517 89 G 4.0059 8.7165 110.3861 44.0840 0.0000 174.4598 90 A 4.0133 8.4730 121.3120 54.8697 18.3130 178.2231 91 D 4.5104 8.0802 113.0235 53.4660 40.0101 177.4458 92 G 4.4158 8.3407 109.0627 45.6707 0.0000 173.0399 93 N 5.4011 8.2907 117.1160 52.3720 40.9659 174.0184 94 A 4.9678 8.7993 121.5070 50.6464 23.2640 175.3754 95 V 4.9026 8.3882 119.4155 61.2588 34.6222 174.1320 96 Y 4.8729 9.0708 128.1127 55.9661 42.2700 173.6924 97 N 5.5907 8.1022 121.7271 51.7826 42.6615 173.4331 98 A 4.5886 8.9580 123.2035 51.2027 23.4688 174.8940 99 T 4.9725 8.4904 115.9535 61.8016 71.1110 173.2735 100 D 5.0512 9.3677 126.2486 52.5875 44.1679 176.3583 101 K 4.4855 8.8932 122.7218 56.7022 33.3496 177.4419 102 L 4.3679 8.1551 118.6030 56.6430 42.3906 177.4236 103 I 4.0602 7.9113 110.3725 61.1007 38.3383 174.5635 104 S 4.5872 8.1876 114.2467 57.6779 65.2434 174.0539 105 L 4.4857 8.9759 121.7066 54.4262 41.7427 176.1559 106 N 4.8891 7.9147 115.4342 52.7918 43.2121 175.9650 107 G 3.9119 8.5633 108.3044 44.9371 0.0000 174.2119 108 S 4.2363 8.7045 112.1764 61.3128 63.1357 174.5278 109 H 4.9262 8.1518 115.9979 55.4154 28.6869 174.9746 110 S 4.2723 7.9361 115.7714 58.6721 62.6912 173.9948 111 I 3.8522 8.1336 119.4425 60.3278 37.9922 175.5588 112 I 3.7970 7.1502 123.3330 62.9425 37.4612 176.5537 113 G 3.8687 9.3303 113.5175 45.4663 0.0000 173.1212 114 R 5.1009 7.5149 119.8379 54.5206 33.5129 174.9753 115 S 5.3241 8.1228 113.1555 57.5671 66.4539 172.9910 116 M 5.0269 8.7066 121.2011 53.9613 34.4296 175.2660 117 V 4.8869 8.7706 121.9007 61.1142 35.5085 173.7292 118 I 4.9593 8.5232 127.2016 59.6578 40.3517 174.2305 119 H 5.4149 8.9797 126.6868 54.0796 30.4385 175.0137 120 E 4.1972 9.1783 119.2259 58.9568 30.1293 176.3869 121 N 5.0740 8.3627 116.2376 50.3113 42.5873 173.8830 122 E 4.3180 8.4730 120.4176 56.2601 30.2344 175.0954 123 D 4.8969 9.3897 126.8516 53.8206 41.3858 175.6365 124 D 4.5598 9.3083 125.9991 53.3547 39.6332 177.0451 125 L 3.7422 9.9506 119.1897 55.9293 39.6975 175.8151 126 G 4.4250 8.8413 105.1664 46.2157 0.0000 174.9227 127 R 4.4870 7.9831 116.5376 55.6989 30.9540 177.4360 128 G 3.7684 7.7034 106.1894 45.9877 0.0000 175.0349 129 G 3.8426 8.2633 107.2613 45.7353 0.0000 173.0110 130 H 4.8234 7.8804 116.9903 54.0838 30.4523 175.8855 131 E 3.9274 8.8125 121.8771 59.7271 29.4844 179.2994 132 L 4.1180 7.9501 118.0378 57.3775 41.7382 179.2908 133 S 4.1828 7.8720 115.6578 61.5571 62.7645 176.0107 134 K 4.3844 7.6876 117.2142 56.6855 31.6299 177.7758 135 V 4.1004 7.4463 117.2485 64.0887 33.6478 175.9280 136 T 4.0458 8.1433 105.6847 60.3010 69.9216 175.2237 137 G 3.7149 8.0633 110.3843 45.1514 0.0000 173.0909 138 N 4.1645 7.7836 115.5809 54.4258 37.8718 174.4687 139 A 4.4122 7.0384 116.8337 51.0049 19.4447 179.9205 140 G 4.1722 7.9392 104.9849 44.5917 0.0000 173.7026 141 G 3.8420 8.8159 105.6564 46.6304 0.0000 173.4262 142 R 4.5220 8.3542 119.8361 54.9523 29.8442 176.6004 143 L 4.2771 8.7640 125.7479 57.4066 42.4144 177.6141 144 A 4.9704 7.7195 118.0059 51.2567 22.9918 173.8927 145 C 5.4247 8.4598 113.4553 55.5918 46.3706 172.6967 146 G 4.7055 8.1531 103.4347 46.3022 0.0000 172.8161 147 V 4.5839 8.4064 121.0342 62.1078 33.0139 175.6548 148 V 4.1298 8.8715 127.9502 62.3846 32.3058 175.1275 149 G 4.4818 8.9510 115.8242 44.1404 0.0000 172.2844 150 L 4.5774 8.4898 121.0477 54.5409 42.2659 176.4142 151 A 4.9447 8.4110 123.6169 49.5037 22.1308 176.0092 152 A 4.1328 8.5860 122.2959 52.3600 19.1896 177.8960 153 E 4.2660 8.4253 117.9629 56.5700 29.8439 175.3988 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 -3 G 8.35 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 S 8.35 4.47 0.00 4.05 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 N 9.29 4.47 0.00 2.88 2.74 0.00 0.00 6.99 7.66 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 -2 M 8.32 4.48 0.00 2.27 1.89 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.49 0.00 -1 K 9.18 4.05 0.00 1.89 1.74 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.40 7.81 3 A 9.22 5.20 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 4 V 8.92 5.10 2.15 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 0.79 0.00 0.00 1.03 0.00 0.00 5 C 9.33 5.03 0.00 3.20 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 6 V 8.57 4.40 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 0.93 0.00 0.00 7 M 8.89 5.18 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.60 0.00 8 T 8.57 4.77 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 9 G 7.75 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 0.00 0.00 0.00 0.00 10 T 8.80 4.48 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 1.21 0.00 0.00 11 A 8.14 4.46 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 12 G 8.24 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 0.00 0.00 0.00 13 V 7.44 4.62 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 0.85 0.00 0.00 0.91 0.00 0.00 14 K 8.23 4.87 0.00 1.92 1.86 0.00 1.40 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.40 7.81 15 G 8.42 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 16 V 7.64 4.85 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 0.84 0.00 0.00 0.85 0.00 0.00 17 V 8.86 4.76 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 0.57 0.00 0.00 1.08 0.00 0.00 18 K 9.10 5.09 0.00 1.62 1.63 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.33 7.81 19 F 9.42 5.64 0.00 2.98 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 20 T 9.07 5.63 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 21 Q 8.56 4.83 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.15 0.00 0.00 0.00 0.00 0.00 2.46 2.67 0.00 22 E 9.10 4.26 0.00 2.04 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 2.35 2.37 0.00 23 T 7.45 4.73 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 1.22 0.00 0.00 24 D 8.95 4.69 0.00 2.66 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 25 N 8.01 4.77 0.00 2.82 2.87 0.00 0.00 5.99 7.00 0.00 0.00 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 G 8.04 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.58 0.00 2.02 2.05 0.00 3.75 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 1.95 1.96 0.00 28 V 8.79 4.56 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 1.25 0.00 0.00 1.00 0.00 0.00 29 H 9.31 5.24 0.00 3.23 3.26 0.00 5.81 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 30 V 9.37 4.82 2.41 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 1.07 0.00 0.00 1.23 0.00 0.00 31 H 9.17 5.57 0.00 3.24 3.05 0.00 5.78 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 32 A 8.98 4.99 0.97 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 33 E 8.32 4.99 0.00 1.69 1.67 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 2.14 2.09 0.00 34 F 9.10 5.43 0.00 2.82 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 35 S 9.04 4.92 0.00 3.83 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 36 G 8.84 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 37 L 7.77 4.34 0.00 1.79 1.40 0.62 0.20 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 38 K 8.35 4.31 0.00 1.74 1.78 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.45 7.81 39 A 8.48 4.10 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 40 G 8.17 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 41 K 8.32 4.84 0.00 1.63 1.90 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.47 7.81 42 H 9.22 4.93 0.00 2.84 3.17 0.00 5.63 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 43 G 8.96 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 0.00 0.00 0.00 0.00 44 F 8.91 5.53 0.00 2.75 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 H 8.83 4.91 0.00 3.03 3.11 0.00 5.85 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.57 4.41 2.14 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 0.80 0.00 0.00 0.88 0.00 0.00 47 H 9.22 5.11 0.00 3.07 3.37 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.91 3.67 0.00 1.67 1.12 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 1.47 2.00 0.00 49 F 7.97 4.96 0.00 3.11 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.58 4.30 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 0.00 51 D 8.23 4.73 0.00 2.65 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 52 T 8.26 4.40 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 53 T 7.72 4.18 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 54 N 9.15 4.01 0.00 2.90 2.88 0.00 0.00 6.85 8.00 0.00 0.00 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 G 9.04 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 0.00 0.00 0.00 0.00 56 C 8.29 4.03 0.00 3.21 3.22 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 57 T 7.72 3.94 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 1.31 0.00 0.00 58 S 7.87 4.68 0.00 3.89 3.87 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 59 A 7.84 3.96 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 60 G 7.63 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 0.00 0.00 0.00 61 A 8.03 4.48 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 62 H 8.40 4.41 0.00 2.75 3.13 0.00 5.73 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 63 F 9.23 4.25 0.00 2.85 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 64 N 7.86 5.11 0.00 2.62 2.45 0.00 0.00 6.95 7.71 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 65 P 0.00 4.14 0.00 1.97 1.83 0.00 2.93 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.96 0.00 66 T 7.56 4.09 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 1.10 0.00 0.00 67 K 7.50 3.82 0.00 1.88 1.84 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.33 7.81 68 Q 7.48 4.66 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 69 E 8.18 4.40 0.00 1.88 1.83 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 2.38 2.29 0.00 70 H 8.59 4.09 0.00 3.22 3.27 0.00 5.96 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 71 G 8.19 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 9.07 4.60 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 73 P 0.00 4.30 0.00 2.11 2.22 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 74 E 8.04 4.18 0.00 2.08 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 2.28 0.00 75 D 7.72 4.62 0.00 2.86 2.66 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 76 S 8.58 4.17 0.00 3.96 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 77 I 7.30 4.39 1.84 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 1.45 1.18 0.87 0.00 0.00 78 R 7.83 4.69 0.00 1.87 1.88 0.00 3.32 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.43 0.00 79 H 8.80 4.50 0.00 3.53 3.39 0.00 5.65 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.36 3.48 1.59 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 0.80 0.00 0.00 0.59 0.00 0.00 81 G 8.42 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 82 D 8.21 5.01 0.00 2.66 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 83 L 8.32 4.65 0.00 1.46 1.81 0.77 1.03 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 84 G 8.51 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 85 N 8.88 5.69 0.00 2.65 2.74 0.00 0.00 6.61 7.68 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 86 V 8.84 4.38 1.72 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 0.84 0.00 0.00 0.07 0.00 0.00 87 V 8.50 4.78 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 0.86 0.00 0.00 0.97 0.00 0.00 88 A 9.09 4.84 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 89 G 8.72 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 90 A 8.47 4.01 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 91 D 8.08 4.51 0.00 2.78 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.34 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 93 N 8.29 5.40 0.00 2.84 2.74 0.00 0.00 6.59 6.65 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 94 A 8.80 4.97 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 95 V 8.39 4.90 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 0.94 0.00 0.00 96 Y 9.07 4.87 0.00 2.92 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 97 N 8.10 5.59 0.00 2.49 2.60 0.00 0.00 6.75 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.96 4.59 1.13 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 99 T 8.49 4.97 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 1.19 0.00 0.00 100 D 9.37 5.05 0.00 2.82 2.54 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 0.00 101 K 8.89 4.49 0.00 1.79 1.84 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.45 7.81 102 L 8.16 4.37 0.00 1.81 1.73 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.91 4.06 1.89 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 0.59 1.02 0.00 0.00 104 S 8.19 4.59 0.00 3.85 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.98 4.49 0.00 1.84 1.61 0.96 0.58 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 0.00 106 N 7.91 4.89 0.00 2.65 2.66 0.00 0.00 6.92 7.71 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 0.00 107 G 8.56 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.70 4.24 0.00 4.07 4.07 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 0.00 109 H 8.15 4.93 0.00 3.12 3.56 0.00 5.90 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.94 4.27 0.00 3.89 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 0.00 111 I 8.13 3.85 1.57 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.20 0.82 0.00 0.00 112 I 7.15 3.80 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.74 0.86 0.00 0.00 113 G 9.33 3.87 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 0.00 0.00 0.00 114 R 7.51 5.10 0.00 1.61 1.87 0.00 2.21 0.00 0.00 2.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.29 0.00 115 S 8.12 5.32 0.00 3.82 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 0.00 116 M 8.71 5.03 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.76 0.00 117 V 8.77 4.89 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 0.70 0.00 0.00 0.75 0.00 0.00 118 I 8.52 4.96 1.56 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.36 0.78 0.00 0.00 119 H 8.98 5.41 0.00 3.08 3.46 0.00 5.71 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.18 4.20 0.00 1.97 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 2.51 2.32 0.00 121 N 8.36 5.07 0.00 2.66 2.73 0.00 0.00 6.63 7.17 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 0.00 122 E 8.47 4.32 0.00 1.97 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 2.39 2.31 0.00 123 D 9.39 4.90 0.00 2.73 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 9.31 4.56 0.00 2.92 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 9.95 3.74 0.00 1.86 1.80 0.95 0.96 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 0.00 126 G 8.84 4.43 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 0.00 127 R 7.98 4.49 0.00 1.92 1.96 0.00 3.18 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 128 G 7.70 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 0.00 129 G 8.26 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 7.88 4.82 0.00 3.21 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.81 3.93 0.00 2.04 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 2.38 2.41 0.00 132 L 7.95 4.12 0.00 1.71 1.68 0.90 0.90 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 0.00 133 S 7.87 4.18 0.00 4.04 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 0.00 134 K 7.69 4.38 0.00 1.81 1.92 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.58 7.81 135 V 7.45 4.10 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 0.88 0.00 0.00 0.97 0.00 0.00 136 T 8.14 4.05 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 1.11 0.00 0.00 137 G 8.06 3.71 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 0.00 0.00 0.00 138 N 7.78 4.16 0.00 2.84 2.86 0.00 0.00 7.05 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 0.00 139 A 7.04 4.41 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 0.00 140 G 7.94 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 0.00 141 G 8.82 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 R 8.35 4.52 0.00 1.68 1.84 0.00 3.29 0.00 0.00 3.16 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 143 L 8.76 4.28 0.00 1.56 1.67 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.72 4.97 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 0.00 145 C 8.46 5.42 0.00 3.08 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 0.00 146 G 8.15 4.71 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 0.00 0.00 0.00 147 V 8.41 4.58 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 0.84 0.00 0.00 0.99 0.00 0.00 148 V 8.87 4.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.92 0.00 0.00 149 G 8.95 4.48 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 0.00 0.00 0.00 150 L 8.49 4.58 0.00 1.55 1.62 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 151 A 8.41 4.94 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 0.00 152 A 8.59 4.13 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 0.00 153 E 8.43 4.27 0.00 2.04 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 2.17 2.29 0.00