NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.7506 8.2833 118.0790 53.0339 41.8614 173.6249 6 I 4.3268 7.7416 119.8514 60.2878 36.8714 174.6563 7 L 4.2892 9.1776 129.3027 57.2770 42.9439 177.0585 8 L 4.4908 7.4785 116.8100 54.5146 45.6966 173.4085 9 T 5.1829 8.2684 121.0938 61.7187 71.6525 172.9129 10 R 4.8354 8.7703 126.7012 54.4377 33.3002 174.1322 11 I 4.6489 8.4255 127.4315 60.1877 39.1002 174.6142 12 D 4.8332 8.9440 126.6647 53.4270 43.9984 175.7879 13 N 4.3660 9.4689 125.3258 56.3703 38.7251 176.1778 14 R 4.3341 8.5370 115.1445 55.4091 31.5075 177.6948 15 L 3.4712 7.6828 120.9372 55.5093 41.4758 175.8614 16 V 3.5997 8.8007 127.9967 65.8426 31.4889 175.4108 17 H 4.1578 8.7778 117.4807 57.5355 29.1738 175.8859 18 G 3.8396 7.9286 111.9964 46.4057 0.0000 178.2264 19 Q 3.9813 8.7538 123.6206 58.3586 29.0882 178.6840 20 V 3.7346 8.2673 118.0572 65.9793 31.5004 178.3030 21 G 4.2859 8.1488 106.3847 47.1758 0.0000 175.6917 22 V 3.5926 7.7090 120.3778 66.2751 31.4901 178.3883 23 T 3.7857 7.9473 115.4398 66.2560 68.2521 176.8790 24 W 3.8795 8.2328 120.8691 60.0827 29.1568 178.7195 25 T 3.6449 8.1269 115.7311 66.4864 67.4358 176.7733 26 S 4.0603 7.9878 115.0858 61.5718 62.2457 176.2880 27 T 3.7922 7.7520 117.7028 66.3448 68.3154 176.0708 28 I 4.0596 7.6857 112.3750 60.5533 38.2943 175.7242 29 G 3.7013 7.5412 108.0491 46.6239 0.0000 173.8929 30 A 4.3827 7.6503 121.6219 51.6177 19.4563 177.9860 31 N 5.1208 9.0028 116.3785 52.3983 39.3927 173.7784 32 L 4.9670 7.7090 122.5888 54.1342 45.5247 173.8335 33 L 4.8197 9.2802 130.1642 53.6525 43.8923 175.1421 34 V 4.1164 8.3760 127.4805 61.1879 33.3038 174.9468 35 V 4.1156 8.1917 130.3402 62.0632 32.3088 175.2940 36 V 4.5805 8.2803 130.4922 62.2667 31.9839 174.8083 37 D 4.3181 8.6780 124.5818 52.6807 44.8754 176.2722 38 D 4.3781 8.8398 126.8574 57.3110 40.4626 178.7170 39 V 3.5618 7.7822 118.2694 66.2119 31.4081 178.1880 40 V 3.6046 7.9324 116.2201 65.8523 31.4293 177.5489 41 A 4.2504 8.1550 119.9269 54.6577 18.3547 178.4491 42 N 4.8659 8.1446 112.4165 52.9642 40.1434 175.2917 43 D 4.7001 7.5960 119.6404 51.2676 41.5725 175.1633 44 D 4.2683 8.2294 124.8756 55.2512 39.6207 177.9872 45 I 3.5927 7.7066 119.9945 63.8091 37.7503 176.7231 46 Q 4.2222 7.9651 116.8254 57.0999 28.8450 177.1261 47 Q 3.6963 7.8913 119.7507 56.4898 28.9415 177.7101 48 K 3.8711 7.5542 121.5844 59.3611 32.3788 178.6657 49 L 3.9798 7.7818 118.6929 58.2506 41.6780 179.3153 50 M 4.3407 8.1797 118.2444 58.3111 31.8834 178.8736 51 G 3.7791 8.4826 106.1244 47.9266 0.0000 175.8568 52 I 3.7359 7.7574 122.0991 64.3191 37.0879 178.6536 53 T 3.9632 7.8647 116.1597 66.6037 68.3589 176.4433 54 A 2.5800 7.8453 122.6078 54.6539 18.1134 179.2899 55 E 3.7630 7.9472 116.6386 59.6599 29.7807 178.8430 56 T 3.7942 7.8774 114.9254 66.3454 68.6352 175.4527 57 Y 4.4617 7.5716 115.2198 57.1303 38.5995 176.0560 58 G 3.8359 8.0717 108.2132 46.1965 0.0000 173.2068 59 F 5.1405 7.3697 112.8118 54.3428 40.9392 175.1890 60 G 4.0286 8.9056 107.3889 46.3867 0.0000 172.4357 61 I 5.2378 8.0327 119.9012 59.3142 41.3640 174.2981 62 R 4.4500 8.5111 125.7523 54.3109 34.7319 174.5187 63 F 4.9918 8.6167 119.4276 55.9840 41.3257 174.2555 64 F 5.5410 8.8197 122.8174 55.4272 42.6204 175.9082 65 T 4.5621 8.5185 111.6652 61.3194 69.8684 175.6368 66 I 3.7062 9.0969 123.3797 64.4866 37.0856 178.3417 67 E 3.8882 8.1634 119.6267 59.2696 29.4807 178.6692 68 K 3.8171 8.0963 119.4751 59.7292 32.2486 178.8380 69 T 3.9835 8.0550 116.0329 66.8371 68.1628 176.6241 70 I 3.7560 7.7413 120.6526 64.5076 37.1724 177.9760 71 N 4.5272 7.8775 116.2418 55.2607 38.6541 176.8646 72 V 4.3401 7.7526 111.2212 60.8819 33.4846 177.5404 73 I 3.8550 7.9954 119.0700 63.7697 37.5798 177.5654 74 G 3.7940 8.0410 104.7714 46.4445 0.0000 174.5384 75 K 4.3405 7.9930 119.2154 55.3922 32.6889 176.8212 76 A 4.1182 7.4189 123.5438 52.2565 18.9041 177.6685 77 A 4.3326 9.2128 126.3761 50.9277 19.3374 176.6608 78 P 4.2368 0.0000 0.0000 65.9134 31.4499 177.7383 79 H 4.4257 8.1005 111.3354 56.9152 29.0542 175.0775 80 Q 4.2080 7.8453 120.9184 55.2549 28.8108 175.3584 81 K 4.6124 9.4030 124.1530 54.8957 34.2356 175.1483 82 I 4.8247 8.9842 127.1993 59.6010 39.5964 174.8739 83 F 5.4364 9.0683 129.3828 56.5205 41.3951 174.0774 84 L 4.6560 8.7967 127.4764 54.1376 43.1130 176.0733 85 I 4.6422 8.3919 124.2910 59.5471 40.2722 174.4212 86 C 5.1824 8.7565 123.9400 57.8254 31.5243 175.5229 87 R 4.0485 8.7416 122.3888 59.2000 29.7806 176.4186 88 T 4.7146 7.2615 105.4830 58.4592 71.7827 172.6926 89 P 4.3332 0.0000 0.0000 65.1451 31.3383 178.9842 90 Q 3.9500 8.0311 117.1745 59.2291 28.6327 178.7167 91 T 3.8518 7.7199 116.2179 66.6211 68.4850 176.9345 92 V 3.5773 7.4517 119.4011 65.9799 31.4752 177.9931 93 R 3.9975 8.3046 118.7557 59.4156 29.8532 178.6836 94 K 4.1348 7.9922 118.0676 59.3493 32.0017 179.3358 95 L 4.0025 7.8828 119.3819 57.7032 41.5329 179.7808 96 V 3.6082 8.0229 118.1689 66.2056 31.3486 177.9570 97 E 4.2475 8.5627 117.5033 59.1504 29.3405 178.7174 98 G 3.9618 7.8093 103.1869 44.7774 0.0000 174.3093 99 G 3.9603 8.0323 108.7809 45.2816 0.0000 173.6862 100 I 3.9123 7.4787 120.7091 60.6333 37.5509 175.9707 101 D 4.5852 8.5181 125.4004 53.1039 39.8902 174.4218 102 L 4.6244 8.0604 124.9356 53.2212 43.5480 176.7895 103 K 4.4315 8.6451 121.6515 57.9333 34.1713 176.3766 104 D 5.3461 7.9462 118.4821 52.4808 45.3987 174.8318 105 V 4.4599 9.1569 122.9378 61.0840 34.5518 173.5050 106 N 3.8676 8.8812 127.9217 51.9143 40.6565 173.7768 107 V 4.0902 8.6270 127.6650 61.8288 32.3191 173.8645 108 G 4.4331 8.4897 120.6420 45.4159 0.0000 172.5799 109 N 4.6463 8.9217 120.6920 54.2996 39.9416 174.2342 110 M 5.1415 9.1618 123.6713 53.7945 34.9472 174.9294 111 H 4.8274 9.6918 121.5801 54.5940 30.1165 175.7249 112 F 3.8753 8.3218 122.9743 58.4771 39.8811 174.3833 113 S 3.8901 7.2157 119.8279 55.6180 66.1122 172.5868 114 E 3.8537 8.1285 120.9933 58.1254 29.3010 177.2798 115 G 4.0170 8.9415 113.9393 45.1931 0.0000 173.6290 116 K 4.4687 7.5113 118.8464 56.3403 32.9393 176.6254 117 K 4.8337 9.0172 122.4578 54.5979 35.3755 175.1767 118 Q 4.1014 8.6801 125.4946 55.5967 29.1554 175.4254 119 I 4.3386 8.5242 118.9068 60.7335 39.5906 174.6225 120 S 4.5049 7.3026 114.3429 57.0679 65.2910 174.5093 121 S 4.1432 8.7476 118.4236 61.0307 62.5998 175.9454 122 K 4.5907 8.0457 116.4055 55.6444 32.9517 174.8038 123 V 4.7602 7.6977 119.6828 61.4136 33.9665 173.8309 124 Y 5.2429 9.2858 126.1610 56.3432 40.4032 175.8412 125 V 4.8711 9.0121 116.2754 59.7330 36.4604 174.8606 126 D 5.0510 8.9179 123.3911 51.9187 42.1062 177.0719 127 D 4.3768 8.6399 117.4930 57.5318 40.6110 178.7696 128 Q 4.0560 8.0897 119.7132 59.1118 29.0637 177.8425 129 D 4.3416 8.6917 120.4709 57.2912 40.7917 178.7414 130 L 3.9929 7.9254 119.4848 58.0329 41.5573 179.4763 131 T 3.8940 8.3444 116.0922 67.0710 68.4603 176.3561 132 D 4.3869 8.3039 120.5545 57.1766 40.8266 178.8767 133 L 4.0469 8.1854 119.7666 57.9120 41.6573 179.7808 134 R 4.0199 8.3882 118.2728 58.9245 29.7231 178.8355 135 F 4.1034 8.3279 120.2032 61.2999 39.7342 176.9735 136 I 3.8875 7.9284 119.3729 64.3509 36.8504 178.5025 137 K 4.2855 7.9693 120.6309 59.1346 31.6983 179.4039 138 Q 3.9732 7.8299 116.7053 58.0892 28.5629 177.8614 139 R 4.3095 7.2834 117.6396 55.6372 30.2535 177.0679 140 G 3.8743 8.0331 107.2242 45.1557 0.0000 173.8561 141 V 3.9312 7.3357 119.8204 62.0744 33.3629 174.5882 142 N 4.7977 9.1262 127.0245 53.3182 39.7301 173.5905 143 V 5.0471 8.4786 126.9273 61.0576 33.6668 174.6325 144 F 5.2113 8.6410 121.9888 55.4547 41.8809 173.2943 145 I 4.6292 8.9438 122.5120 60.7169 38.6452 174.9230 146 Q 4.6540 8.3961 125.5499 55.8026 31.9940 173.2370 147 D 4.6083 9.4191 127.2574 56.8629 42.0298 176.0889 148 V 4.5929 7.8016 109.4848 58.4040 35.8205 173.3696 149 P 3.9764 0.0000 0.0000 64.0517 31.4372 177.1795 150 G 3.9567 8.6361 109.9277 45.5595 0.0000 173.8450 151 D 4.5030 7.3266 118.3049 53.6846 41.3926 176.0071 152 Q 4.0405 8.4551 122.9902 56.2778 29.5325 176.2099 153 K 4.6513 8.5315 124.8200 56.4605 33.1726 176.1089 154 E 4.8547 9.3379 123.1790 54.7391 33.0007 175.4551 155 Q 4.7907 8.5734 121.2644 54.6777 30.6518 175.7675 156 I 3.9332 8.2039 122.3828 60.4785 37.9724 174.7098 157 P 4.4288 0.0000 0.0000 62.9630 31.1009 176.2845 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 5 N 8.28 4.75 0.00 2.76 2.94 0.00 0.00 7.01 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 6 I 7.74 4.33 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.62 0.95 0.00 0.00 7 L 9.18 4.29 0.00 1.59 1.69 0.96 0.79 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 8 L 7.48 4.49 0.00 1.70 1.38 1.05 0.57 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 9 T 8.27 5.18 4.20 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 1.14 0.00 0.00 10 R 8.77 4.84 0.00 1.60 1.41 0.00 2.22 0.00 0.00 2.88 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.41 0.00 11 I 8.43 4.65 1.76 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 1.04 0.45 0.92 0.00 0.00 12 D 8.94 4.83 0.00 2.60 2.42 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 13 N 9.47 4.37 0.00 2.79 2.91 0.00 0.00 7.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.54 4.33 0.00 1.70 1.84 0.00 3.27 0.00 0.00 2.92 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 15 L 7.68 3.47 0.00 1.80 0.73 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.80 3.60 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 1.14 0.00 0.00 0.98 0.00 0.00 17 H 8.78 4.16 0.00 3.53 3.36 0.00 5.89 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 7.93 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 19 Q 8.75 3.98 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.69 6.87 0.00 0.00 0.00 0.00 0.00 2.49 2.32 0.00 20 V 8.27 3.73 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 1.25 0.00 0.00 0.77 0.00 0.00 21 G 8.15 4.29 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 0.00 22 V 7.71 3.59 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 0.55 0.00 0.00 0.57 0.00 0.00 23 T 7.95 3.79 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 0.94 0.00 0.00 24 W 8.23 3.88 0.00 3.51 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 25 T 8.13 3.64 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 0.82 0.00 0.00 26 S 7.99 4.06 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 27 T 7.75 3.79 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 1.04 0.00 0.00 28 I 7.69 4.06 1.80 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.38 0.92 0.00 0.00 29 G 7.54 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 30 A 7.65 4.38 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 31 N 9.00 5.12 0.00 2.88 3.05 0.00 0.00 6.49 6.90 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 32 L 7.71 4.97 0.00 1.76 1.52 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 33 L 9.28 4.82 0.00 1.66 1.53 0.79 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.38 4.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.74 0.00 0.00 35 V 8.19 4.12 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 0.91 0.00 0.00 0.66 0.00 0.00 36 V 8.28 4.58 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 0.80 0.00 0.00 0.97 0.00 0.00 37 D 8.68 4.32 0.00 2.81 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.84 4.38 0.00 2.81 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 39 V 7.78 3.56 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.93 0.00 0.00 40 V 7.93 3.60 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.99 0.00 0.00 41 A 8.16 4.25 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.14 4.87 0.00 2.83 2.87 0.00 0.00 6.72 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 43 D 7.60 4.70 0.00 2.71 2.55 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 44 D 8.23 4.27 0.00 2.90 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 45 I 7.71 3.59 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.15 0.87 0.00 0.00 46 Q 7.97 4.22 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 47 Q 7.89 3.70 0.00 1.69 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.97 0.00 48 K 7.55 3.87 0.00 1.72 1.76 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.46 7.81 49 L 7.78 3.98 0.00 1.79 1.74 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.18 4.34 0.00 2.31 2.43 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.72 0.00 51 G 8.48 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 0.00 0.00 0.00 52 I 7.76 3.74 2.09 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 1.52 0.82 0.91 0.00 0.00 53 T 7.86 3.96 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 54 A 7.85 2.58 1.15 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 55 E 7.95 3.76 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 56 T 7.88 3.79 4.21 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 0.55 0.00 0.00 57 Y 7.57 4.46 0.00 3.18 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 58 G 8.07 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 59 F 7.37 5.14 0.00 3.03 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.91 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 0.00 0.00 0.00 61 I 8.03 5.24 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.79 0.92 0.00 0.00 62 R 8.51 4.45 0.00 0.78 0.66 0.00 3.28 0.00 0.00 3.10 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.35 0.00 63 F 8.62 4.99 0.00 2.88 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 64 F 8.82 5.54 0.00 2.89 2.77 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 65 T 8.52 4.56 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 1.25 0.00 0.00 66 I 9.10 3.71 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 1.42 0.71 0.91 0.00 0.00 67 E 8.16 3.89 0.00 2.02 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 2.36 2.36 0.00 68 K 8.10 3.82 0.00 1.72 1.60 0.00 1.40 0.00 0.00 0.96 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.58 1.11 7.81 69 T 8.06 3.98 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 1.29 0.00 0.00 70 I 7.74 3.76 2.01 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 1.53 0.55 0.97 0.00 0.00 71 N 7.88 4.53 0.00 2.81 2.82 0.00 0.00 6.85 7.47 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 72 V 7.75 4.34 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 0.68 0.00 0.00 0.79 0.00 0.00 73 I 8.00 3.86 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.27 0.96 0.00 0.00 74 G 8.04 3.79 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 0.00 0.00 0.00 75 K 7.99 4.34 0.00 1.86 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.45 7.81 76 A 7.42 4.12 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 77 A 9.21 4.33 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 78 P 0.00 4.24 0.00 2.09 2.17 0.00 3.72 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 2.06 2.11 0.00 79 H 8.10 4.43 0.00 3.29 3.44 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 7.85 4.21 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.29 1.94 0.00 81 K 9.40 4.61 0.00 1.63 1.73 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.53 7.81 82 I 8.98 4.82 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.77 0.92 0.00 0.00 83 F 9.07 5.44 0.00 2.88 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 84 L 8.80 4.66 0.00 1.60 1.48 0.92 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.39 4.64 1.56 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 -0.06 0.78 0.00 0.00 86 C 8.76 5.18 0.00 2.73 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 87 R 8.74 4.05 0.00 1.88 1.93 0.00 3.21 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 88 T 7.26 4.71 4.38 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 0.00 0.00 1.19 0.00 0.00 89 P 0.00 4.33 0.00 2.17 2.13 0.00 3.58 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 2.10 2.15 0.00 90 Q 8.03 3.95 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 91 T 7.72 3.85 4.36 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 1.24 0.00 0.00 92 V 7.45 3.58 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 1.00 0.00 0.00 0.94 0.00 0.00 93 R 8.30 4.00 0.00 1.90 1.99 0.00 2.78 0.00 0.00 2.96 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.28 0.00 94 K 7.99 4.13 0.00 2.04 1.83 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.58 7.81 95 L 7.88 4.00 0.00 1.91 1.73 0.92 0.89 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 96 V 8.02 3.61 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 1.11 0.00 0.00 1.03 0.00 0.00 97 E 8.56 4.25 0.00 2.10 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 0.00 2.45 2.52 0.00 98 G 7.81 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 99 G 8.03 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 0.00 100 I 7.48 3.91 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.87 0.93 0.00 0.00 101 D 8.52 4.59 0.00 2.62 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 0.00 102 L 8.06 4.62 0.00 1.68 1.58 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.65 4.43 0.00 1.70 1.86 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.41 7.81 104 D 7.95 5.35 0.00 2.66 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 0.00 105 V 9.16 4.46 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 0.90 0.00 0.00 0.90 0.00 0.00 106 N 8.88 3.87 0.00 2.03 2.26 0.00 0.00 6.34 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 0.00 107 V 8.63 4.09 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 0.82 0.00 0.00 0.82 0.00 0.00 108 G 8.49 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 0.00 109 N 8.92 4.65 0.00 2.96 2.77 0.00 0.00 6.62 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 0.00 110 M 9.16 5.14 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.48 0.00 111 H 9.69 4.83 0.00 3.13 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 8.32 3.88 0.00 1.70 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 0.00 113 S 7.22 3.89 0.00 3.70 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 0.00 114 E 8.13 3.85 0.00 1.89 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 2.28 2.37 0.00 115 G 8.94 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.51 4.47 0.00 1.69 1.88 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.38 7.81 117 K 9.02 4.83 0.00 1.70 1.70 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.41 7.81 118 Q 8.68 4.10 0.00 1.63 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.81 0.00 0.00 0.00 0.00 0.00 2.04 1.47 0.00 119 I 8.52 4.34 1.84 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 1.22 0.80 0.89 0.00 0.00 120 S 7.30 4.50 0.00 3.81 3.68 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 0.00 121 S 8.75 4.14 0.00 3.92 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.05 4.59 0.00 1.77 1.79 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.37 7.81 123 V 7.70 4.76 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 1.02 0.00 0.00 0.97 0.00 0.00 124 Y 9.29 5.24 0.00 2.95 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 0.00 125 V 9.01 4.87 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 0.80 0.00 0.00 0.94 0.00 0.00 126 D 8.92 5.05 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 0.00 127 D 8.64 4.38 0.00 2.74 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 0.00 128 Q 8.09 4.06 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 129 D 8.69 4.34 0.00 2.89 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 0.00 130 L 7.93 3.99 0.00 1.87 1.73 0.93 0.77 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 0.00 131 T 8.34 3.89 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 132 D 8.30 4.39 0.00 2.81 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 0.00 133 L 8.19 4.05 0.00 1.83 1.72 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 134 R 8.39 4.02 0.00 2.10 2.01 0.00 3.25 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 135 F 8.33 4.10 0.00 3.08 3.29 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 0.00 136 I 7.93 3.89 2.09 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 1.66 1.12 0.93 0.00 0.00 137 K 7.97 4.29 0.00 1.98 1.86 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.55 7.81 138 Q 7.83 3.97 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.11 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 139 R 7.28 4.31 0.00 1.78 1.82 0.00 3.17 0.00 0.00 2.95 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.37 0.00 140 G 8.03 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 0.00 141 V 7.34 3.93 2.18 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 0.95 0.00 0.00 0.99 0.00 0.00 142 N 9.13 4.80 0.00 2.95 3.07 0.00 0.00 6.47 7.44 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 0.00 143 V 8.48 5.05 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 0.94 0.00 0.00 144 F 8.64 5.21 0.00 3.18 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 I 8.94 4.63 1.93 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 1.10 0.73 0.94 0.00 0.00 146 Q 8.40 4.65 0.00 2.53 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.97 0.00 0.00 0.00 0.00 0.00 2.68 2.47 0.00 147 D 9.42 4.61 0.00 2.75 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 0.00 148 V 7.80 4.59 1.85 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 0.84 0.00 0.00 0.97 0.00 0.00 149 P 0.00 3.98 0.00 1.58 1.50 0.00 2.94 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 1.07 0.44 0.00 150 G 8.64 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 0.00 151 D 7.33 4.50 0.00 2.88 2.67 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 0.00 152 Q 8.46 4.04 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 153 K 8.53 4.65 0.00 1.66 1.77 0.00 1.40 0.00 0.00 0.85 0.00 0.00 2.77 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.49 1.41 7.81 154 E 9.34 4.85 0.00 1.92 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 2.24 2.45 0.00 155 Q 8.57 4.79 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 156 I 8.20 3.93 1.89 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 1.44 0.75 0.92 0.00 0.00 157 P 0.00 4.43 0.00 2.04 1.97 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00