NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4529 8.1933 116.7952 58.6854 64.2428 174.6244 2 N 4.4388 7.9945 116.7571 53.6179 39.2310 175.3416 3 I 4.1468 8.3340 119.4187 61.6951 40.4342 175.6304 4 I 4.4877 7.1724 119.3013 61.4705 36.8787 175.8830 5 K 4.3741 7.8049 120.0909 57.3045 33.7386 177.9782 6 Q 3.9138 7.9717 119.3055 59.1674 28.5747 178.4435 7 L 3.8638 7.7582 119.9276 57.4176 42.4808 178.2792 8 E 4.0863 7.8830 118.5257 59.3183 29.8963 178.6900 9 Q 4.0879 8.3038 116.6238 57.8203 28.6348 177.1806 10 E 4.1594 7.6184 120.7929 58.1588 29.7184 176.5613 11 Q 4.5197 7.8628 114.9904 55.8747 30.4063 174.9963 12 M 4.1900 7.6583 119.2227 54.0183 32.2759 176.5940 13 K 4.3540 8.5702 123.4105 57.0095 33.6741 176.4102 14 Q 4.6232 8.3709 113.8408 55.7544 30.0698 176.0176 15 D 4.6293 8.0701 119.3066 55.1279 42.1979 177.3734 16 V 3.5782 7.6949 119.0677 62.4623 31.6963 173.9875 17 P 4.5583 0.0000 0.0000 61.0904 32.4841 175.6300 18 S 4.3713 8.2819 114.3084 58.1278 62.2030 173.8155 19 F 3.7534 8.5104 126.6260 55.5746 39.0646 171.1623 20 R 3.8984 8.1787 126.8124 54.8044 31.0266 173.6296 21 P 4.2524 0.0000 0.0000 66.9189 31.0484 174.5856 22 G 3.5212 8.0331 113.2984 45.1526 0.0000 172.2757 23 D 5.0480 7.7742 127.4361 54.4371 40.2097 178.5070 24 T 5.0267 8.2367 108.5241 61.7482 71.7127 174.9061 25 V 3.1118 7.6816 106.5202 60.7560 28.2764 172.5836 26 E 4.2706 8.1483 127.4191 56.1387 31.0178 175.7789 27 V 4.3042 8.1677 125.8971 60.6875 33.3355 174.8036 28 K 4.8001 7.9426 126.5511 55.9316 32.7597 177.3326 29 V 5.1999 8.2092 116.3387 57.9074 35.9266 175.2981 30 W 5.5804 9.0658 123.6361 57.0935 29.3454 176.0214 31 V 4.3156 8.3767 117.5015 61.4741 34.2612 175.9138 32 V 3.2502 8.1031 115.4503 61.6286 28.7531 171.8406 33 E 3.7764 8.0001 124.2390 59.9054 30.3483 177.3170 34 G 4.3488 7.6474 107.1327 46.3109 0.0000 173.3671 35 S 4.6054 8.0091 111.4604 57.3075 66.6362 173.7069 36 K 4.6058 7.8808 119.8194 54.7911 34.7979 176.3847 37 K 4.7619 8.6252 124.0782 55.4323 33.8160 175.7647 38 R 4.4230 7.7878 117.9169 56.5217 31.4242 173.1083 39 L 5.6356 8.4709 119.1691 53.4730 43.6181 176.1922 40 Q 4.6828 8.4828 120.1860 54.3046 32.6327 174.1688 41 A 4.4595 8.9028 127.4006 52.3509 19.7342 177.1194 42 F 4.4856 8.2468 115.4457 58.2778 41.1815 171.0378 43 E 4.6431 8.6677 120.9933 54.4400 28.9353 176.0762 44 G 4.4635 8.4502 117.9858 44.4517 0.0000 169.6397 45 V 4.9585 8.3016 120.2352 59.7942 35.2764 176.3576 46 V 4.4650 8.4966 127.1858 63.1280 31.8563 175.8014 47 I 4.3858 8.9225 121.4612 60.9129 40.6089 175.3804 48 A 4.8863 7.9363 123.4268 49.7230 22.1043 174.8441 49 I 4.6360 8.2245 121.9097 58.9790 40.8859 174.3055 50 R 4.8300 7.7557 118.6465 56.4030 29.8003 177.1642 51 N 4.3922 9.4505 117.5754 55.3395 34.7897 174.3900 52 R 4.7354 8.5429 113.1211 55.7717 32.5426 176.9617 53 G 3.8389 7.6300 115.2536 46.7711 0.0000 176.7330 54 L 3.7791 8.4171 126.5062 56.7929 41.7842 176.6935 55 H 4.7070 8.2164 114.1091 56.1898 29.3646 175.4640 56 S 4.4731 7.3287 116.3784 59.4866 64.2151 173.4651 57 A 4.5242 8.0364 119.1314 51.3165 22.1316 175.6718 58 F 5.3115 7.8618 116.7917 55.6465 41.3680 174.6079 59 T 4.7945 8.9651 115.9751 61.8306 71.7064 173.7657 60 V 5.2721 8.5000 124.9891 60.1781 34.0686 173.5886 61 R 4.6449 8.6020 128.6265 55.7994 31.0619 175.1388 62 K 3.9913 8.5058 125.8741 58.3724 33.5914 174.4822 63 I 3.1434 8.0953 125.6052 61.0098 33.0629 171.9386 64 S 4.5572 8.0212 117.0061 57.0662 64.6588 171.8078 65 N 4.3620 8.6251 124.7893 53.6099 36.8428 174.3939 66 G 3.9095 7.4949 104.1156 45.9146 0.0000 172.1926 67 E 4.7084 7.5980 118.6164 52.7842 33.7395 174.6658 68 G 3.9555 9.3383 110.6094 46.4064 0.0000 174.4541 69 V 4.4846 8.1010 119.5474 60.9506 33.2101 174.0177 70 E 4.5622 8.6796 126.0569 56.7407 30.8282 177.2131 71 R 4.0604 8.0955 120.7754 55.7958 32.8121 174.1114 72 V 4.0762 8.0580 121.1267 60.9198 32.3830 175.9297 73 F 4.2363 8.2982 125.3765 56.0569 40.9406 175.3512 74 Q 4.1859 8.4926 122.5524 56.0167 28.7936 177.1537 75 T 4.0548 8.3983 120.5108 64.6677 67.6095 174.6599 76 H 4.7867 7.9598 115.6880 55.2551 29.2019 174.7295 77 S 4.3327 7.5590 114.6829 57.4916 62.3944 172.5273 78 P 4.2368 0.0000 0.0000 65.1476 31.8491 178.1463 79 V 3.5281 7.7027 111.2063 62.1785 31.5473 177.7498 80 V 3.7347 7.1195 119.1826 62.8028 33.5113 178.2938 81 D 3.9524 7.7862 116.9353 55.3201 41.1008 176.5178 82 S 4.3807 6.0562 116.3222 57.2339 64.3603 172.6542 83 I 4.6965 7.1655 116.3628 61.2436 39.3110 173.7652 84 S 4.4536 7.5352 132.1000 58.7785 63.3676 175.4173 85 V 4.3875 7.7161 116.5442 61.8581 31.7095 172.7376 86 K 3.9423 8.7073 127.2318 59.5957 32.1489 176.5759 87 R 4.7698 7.8246 115.0907 54.6550 33.9837 173.6604 88 R 4.9161 8.5090 117.6067 54.2701 33.4977 175.2783 89 G 4.6812 9.8118 110.1182 43.5578 0.0000 173.5683 90 A 4.7497 8.2465 123.9272 50.4683 17.2777 176.2233 91 V 3.6831 8.0293 121.5891 64.1822 32.6157 175.5795 92 R 3.7106 7.8477 120.2739 54.5940 27.2744 173.4878 93 K 4.6790 7.8715 126.8158 55.2807 34.0424 173.3378 94 A 3.8872 7.9680 129.3609 53.8205 18.8322 176.8129 95 K 4.2874 7.7202 115.7858 54.4086 34.6910 177.8261 96 L 4.6931 7.9209 123.9071 54.1215 41.0456 176.8086 97 Y 4.4884 7.4562 117.8904 60.4321 38.8638 178.0437 98 Y 4.3898 8.2650 116.6551 59.0688 38.4341 176.7880 99 L 4.0142 7.2749 119.7276 56.0758 42.1330 178.1639 100 R 4.3013 7.7846 116.0754 56.7814 29.4857 177.4215 101 E 4.6498 7.7817 118.4899 55.5013 30.8942 174.4328 102 R 4.4536 7.3493 119.5933 52.5082 35.3781 175.6234 103 T 3.6981 7.8771 112.3861 63.6888 68.3647 171.4616 104 G 4.1067 8.1842 111.5977 46.3951 0.0000 174.1362 105 K 3.9348 8.8916 119.4840 56.5231 30.1315 176.1029 106 A 4.4632 8.0655 119.9843 53.6614 20.6136 177.6810 107 A 3.8234 8.3048 117.2779 54.9787 18.7963 179.9276 108 R 3.5942 6.8221 120.2066 56.0555 27.1131 176.5250 109 I 3.8027 8.2669 125.6466 61.8538 36.5545 178.5844 110 K 4.3892 8.0459 126.4797 56.8881 36.3748 174.9957 111 E 4.7454 8.4148 117.7711 54.4247 31.9391 176.5351 112 R 3.7938 8.9980 125.2959 56.3501 29.1037 174.2377 113 L 3.7313 9.3218 122.8321 54.4907 43.7340 172.6575 114 N 4.6102 8.6778 121.8003 53.4513 39.0487 174.2983 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 1 S 8.19 4.45 0.00 3.90 3.92 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 2 N 7.99 4.44 0.00 2.87 2.84 0.00 0.00 6.48 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.33 4.15 1.87 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 1.41 1.32 0.91 0.00 0.00 4 I 7.17 4.49 1.88 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 1.19 0.67 0.99 0.00 0.00 5 K 7.80 4.37 0.00 1.70 1.83 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.33 7.81 6 Q 7.97 3.91 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 7 L 7.76 3.86 0.00 1.84 1.68 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.88 4.09 0.00 2.14 1.88 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 2.34 2.35 0.00 9 Q 8.30 4.09 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.83 0.00 0.00 0.00 0.00 0.00 2.61 2.34 0.00 10 E 7.62 4.16 0.00 2.10 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 2.32 2.35 0.00 11 Q 7.86 4.52 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.61 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 12 M 7.66 4.19 0.00 1.97 1.95 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 2.47 2.10 0.00 13 K 8.57 4.35 0.00 1.87 1.86 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.41 7.81 14 Q 8.37 4.62 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 15 D 8.07 4.63 0.00 2.63 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 16 V 7.69 3.58 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 1.01 0.00 0.00 0.96 0.00 0.00 17 P 0.00 4.56 0.00 1.89 1.89 0.00 3.55 0.00 0.00 3.75 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 18 S 8.28 4.37 0.00 4.00 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 19 F 8.51 3.75 0.00 2.87 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 20 R 8.18 3.90 0.00 2.09 1.96 0.00 3.25 0.00 0.00 3.41 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 21 P 0.00 4.25 0.00 2.22 2.10 0.00 3.83 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 1.98 0.00 22 G 8.03 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 23 D 7.77 5.05 0.00 2.75 2.39 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 24 T 8.24 5.03 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 25 V 7.68 3.11 1.70 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 0.40 0.00 0.00 0.92 0.00 0.00 26 E 8.15 4.27 0.00 2.04 1.77 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 2.40 2.34 0.00 27 V 8.17 4.30 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 0.22 0.00 0.00 0.79 0.00 0.00 28 K 7.94 4.80 0.00 1.71 1.76 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.30 7.81 29 V 8.21 5.20 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 1.15 0.00 0.00 1.14 0.00 0.00 30 W 9.07 5.58 0.00 3.28 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 31 V 8.38 4.32 2.32 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 0.86 0.00 0.00 1.01 0.00 0.00 32 V 8.10 3.25 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 0.71 0.00 0.00 0.91 0.00 0.00 33 E 8.00 3.78 0.00 2.06 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 2.34 2.34 0.00 34 G 7.65 4.35 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 0.00 35 S 8.01 4.61 0.00 3.79 3.83 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 36 K 7.88 4.61 0.00 1.76 1.87 0.00 1.49 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.42 7.81 37 K 8.63 4.76 0.00 1.45 1.51 0.00 1.50 0.00 0.00 1.33 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.30 7.81 38 R 7.79 4.42 0.00 1.93 2.06 0.00 2.98 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 39 L 8.47 5.64 0.00 1.63 1.73 1.29 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.48 4.68 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 41 A 8.90 4.46 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 42 F 8.25 4.49 0.00 3.24 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 43 E 8.67 4.64 0.00 1.87 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 2.28 2.32 0.00 44 G 8.45 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.30 4.96 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 1.23 0.00 0.00 0.95 0.00 0.00 46 V 8.50 4.47 2.34 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 1.09 0.00 0.00 1.03 0.00 0.00 47 I 8.92 4.39 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.18 0.88 0.00 0.00 48 A 7.94 4.89 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.22 4.64 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.75 0.90 0.00 0.00 50 R 7.76 4.83 0.00 1.75 1.16 0.00 3.07 0.00 0.00 2.99 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.49 0.00 51 N 9.45 4.39 0.00 2.85 3.08 0.00 0.00 6.52 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 52 R 8.54 4.74 0.00 1.89 1.88 0.00 3.46 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 53 G 7.63 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 54 L 8.42 3.78 0.00 1.44 1.62 0.79 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 55 H 8.22 4.71 0.00 3.25 3.31 0.00 5.74 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 56 S 7.33 4.47 0.00 3.77 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 57 A 8.04 4.52 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 58 F 7.86 5.31 0.00 3.33 2.81 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 59 T 8.97 4.79 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 1.25 0.00 0.00 60 V 8.50 5.27 2.49 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 1.53 0.00 0.00 1.48 0.00 0.00 61 R 8.60 4.64 0.00 2.00 1.82 0.00 3.21 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 62 K 8.51 3.99 0.00 1.70 1.64 0.00 1.08 0.00 0.00 1.36 0.00 0.00 2.75 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.21 1.37 7.81 63 I 8.10 3.14 1.85 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 1.29 0.78 0.90 0.00 0.00 64 S 8.02 4.56 0.00 3.60 3.62 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 65 N 8.63 4.36 0.00 2.90 2.83 0.00 0.00 6.70 7.65 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 66 G 7.49 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 67 E 7.60 4.71 0.00 1.99 1.79 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 2.25 2.22 0.00 68 G 9.34 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 69 V 8.10 4.48 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 1.08 0.00 0.00 0.97 0.00 0.00 70 E 8.68 4.56 0.00 1.93 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 2.38 2.37 0.00 71 R 8.10 4.06 0.00 1.85 1.21 0.00 2.77 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 72 V 8.06 4.08 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 0.69 0.00 0.00 0.79 0.00 0.00 73 F 8.30 4.24 0.00 1.51 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.49 4.19 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 75 T 8.40 4.05 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 1.12 0.00 0.00 76 H 7.96 4.79 0.00 3.30 3.26 0.00 5.76 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.56 4.33 0.00 3.87 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 78 P 0.00 4.24 0.00 2.16 2.25 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 2.09 2.02 0.00 79 V 7.70 3.53 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 0.85 0.00 0.00 0.95 0.00 0.00 80 V 7.12 3.73 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 0.68 0.00 0.00 1.05 0.00 0.00 81 D 7.79 3.95 0.00 2.26 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 6.06 4.38 0.00 3.85 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 83 I 7.17 4.70 1.73 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 1.26 1.55 0.80 0.00 0.00 84 S 7.54 4.45 0.00 3.84 3.62 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 85 V 7.72 4.39 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 0.51 0.00 0.00 0.84 0.00 0.00 86 K 8.71 3.94 0.00 1.71 1.90 0.00 1.53 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.65 1.48 7.81 87 R 7.82 4.77 0.00 1.75 1.76 0.00 3.19 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 88 R 8.51 4.92 0.00 1.74 1.74 0.00 3.11 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 89 G 9.81 4.68 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 0.00 0.00 0.00 90 A 8.25 4.75 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.03 3.68 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 0.94 0.00 0.00 1.01 0.00 0.00 92 R 7.85 3.71 0.00 1.96 1.91 0.00 3.43 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 93 K 7.87 4.68 0.00 1.81 1.80 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.26 1.45 7.81 94 A 7.97 3.89 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 95 K 7.72 4.29 0.00 1.68 0.99 0.00 1.80 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.50 7.81 96 L 7.92 4.69 0.00 1.61 1.43 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.46 4.49 0.00 3.14 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 98 Y 8.27 4.39 0.00 3.12 3.10 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 99 L 7.27 4.01 0.00 1.46 1.55 0.67 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.78 4.30 0.00 1.87 1.99 0.00 3.35 0.00 0.00 3.55 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 101 E 7.78 4.65 0.00 1.94 1.86 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 2.28 2.35 0.00 102 R 7.35 4.45 0.00 1.72 1.82 0.00 3.69 0.00 0.00 3.27 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 103 T 7.88 3.70 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 1.21 0.00 0.00 104 G 8.18 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 0.00 0.00 0.00 105 K 8.89 3.93 0.00 1.94 1.98 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.37 7.81 106 A 8.07 4.46 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 0.00 107 A 8.30 3.82 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 0.00 108 R 6.82 3.59 0.00 1.88 2.10 0.00 3.22 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 109 I 8.27 3.80 1.89 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 1.41 0.46 0.97 0.00 0.00 110 K 8.05 4.39 0.00 1.82 1.72 0.00 1.92 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.44 7.81 111 E 8.41 4.75 0.00 1.87 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 112 R 9.00 3.79 0.00 1.90 1.64 0.00 3.36 0.00 0.00 3.25 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 113 L 9.32 3.73 0.00 1.81 1.69 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.68 4.61 0.00 2.70 2.65 0.00 0.00 7.00 7.56 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