NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 Y 5.0548 8.3698 117.8186 58.0454 39.2251 174.7132 16 S 4.3871 8.0670 118.8515 56.2055 64.4984 172.1047 17 N 4.8885 8.8603 117.3593 52.9202 39.1396 176.2203 18 A 4.8219 7.7559 122.2775 52.2855 19.4490 176.9065 19 I 4.8986 8.9594 112.5739 59.3239 42.1462 174.2994 20 V 4.8223 8.6540 122.5556 61.3474 34.3474 174.2033 21 V 4.8241 9.1558 129.1808 61.4880 33.2691 174.6770 22 L 5.0904 9.1454 128.6955 54.5976 43.3514 175.3746 23 C 5.6323 8.9191 121.2077 59.4682 35.4932 172.5143 24 T 5.3806 8.6530 112.4793 59.9523 71.6802 172.6910 25 A 4.6180 8.7475 123.7311 49.3623 22.3696 175.6596 26 P 4.5131 0.0000 0.0000 65.4217 31.9756 176.3060 27 D 4.6581 7.4464 117.0354 51.1570 43.6649 176.0095 28 E 3.9325 8.6722 118.6291 59.2215 29.3883 179.3328 29 A 3.9678 7.9527 120.6454 55.3443 18.5571 179.7492 30 S 4.0494 8.5287 112.5438 61.3183 63.0439 176.4449 31 A 3.9515 7.9328 124.3784 55.1033 18.0781 179.6414 32 Q 3.9282 8.4374 116.9321 59.0980 28.7897 178.7739 33 N 4.3123 8.1950 117.4483 56.2856 38.6101 177.1678 34 L 4.0568 8.0870 121.4284 58.1210 42.1582 178.8571 35 A 4.0610 8.2573 120.4812 55.1339 18.2715 179.4459 36 A 3.9404 8.2792 119.4959 55.3272 18.4783 179.8420 37 Q 3.8974 8.2082 116.4725 59.1864 28.8979 179.1186 38 V 3.1727 7.8774 119.1170 66.0538 31.5283 178.0955 39 L 4.0687 8.1830 118.7568 57.6757 41.2370 179.6496 40 G 3.6188 8.0194 104.9100 47.7026 0.0000 174.8860 41 E 4.0680 7.9064 117.9987 55.7302 30.0555 176.7228 42 K 3.7993 7.8538 118.2076 57.6075 30.0199 176.6360 43 L 4.4000 7.8004 116.9396 54.8857 42.3213 176.6485 44 A 4.6175 7.3297 119.7267 50.7863 22.0950 175.6805 45 A 4.1418 8.6314 122.0797 53.9452 19.9609 177.8430 46 C 4.8032 7.8402 114.0772 58.2231 35.4257 173.0664 47 V 4.5542 8.4010 124.9769 61.3892 33.6418 174.3312 48 T 4.5736 8.7001 125.0224 61.7942 70.8013 173.3094 49 L 4.9143 8.4482 125.9728 53.1648 43.9692 176.5852 50 L 4.7144 8.9396 124.7505 52.2283 42.5322 174.4327 51 P 4.6252 0.0000 0.0000 62.4975 32.9722 176.5197 52 G 3.8015 8.7319 105.5277 46.1024 0.0000 173.6350 53 A 4.5042 7.8376 121.5802 51.6514 20.1617 177.2917 54 T 5.0411 8.4202 115.0229 61.8920 71.6412 173.8877 55 S 4.9437 9.4432 122.0334 56.6889 66.1001 173.0039 56 L 5.5144 8.4062 123.2768 52.4256 44.2578 175.1998 57 Y 4.7113 7.2613 118.0135 56.7474 40.7988 172.0704 58 Y 4.8340 9.0034 118.5195 56.9037 39.5912 175.1346 59 W 4.9790 9.0532 133.1491 56.7319 33.5661 174.8816 60 E 3.4323 9.3443 126.5000 57.4248 26.4664 175.8762 61 G 4.0484 8.4969 105.3230 45.1230 0.0000 173.6305 62 K 4.7209 7.8948 119.4573 54.1983 35.2449 175.3309 63 L 3.5422 8.2407 126.3852 54.7211 42.4270 175.6896 64 E 4.4255 8.5949 126.6400 54.7049 32.4069 175.5164 65 Q 4.2639 8.1546 122.4512 54.6989 31.4833 173.7102 66 E 4.7311 9.0234 125.9441 54.3467 33.8957 175.2017 67 Y 4.8938 8.4384 119.9952 58.4561 39.0016 174.7066 68 E 4.9602 9.4622 121.8838 55.3763 35.4171 173.7978 69 V 4.7010 8.9325 121.2746 61.3872 33.9216 174.0858 70 Q 4.7825 8.9250 129.7102 55.1526 30.2534 174.2448 71 L 5.1264 9.3324 126.8684 53.1435 44.8665 175.8019 72 L 5.0214 8.7300 121.7084 53.2166 45.1218 175.6360 73 F 4.7275 9.5644 124.7982 56.1390 40.6496 175.4231 74 K 4.9573 9.1115 125.0313 55.5459 33.5742 175.6093 75 S 4.5378 8.8924 121.4636 57.4315 66.1187 171.9906 76 N 5.5519 8.6169 114.4335 50.9932 40.7793 175.0857 77 T 3.9277 8.9655 109.1209 64.8605 68.7897 176.3771 78 D 4.4296 7.7457 119.9253 56.4973 41.0853 176.5854 79 H 4.7825 8.2264 114.6547 55.1450 30.0292 175.2657 80 Q 3.9446 7.9160 121.6637 59.5581 28.7072 178.3205 81 Q 3.9431 8.0330 119.5205 59.1116 29.1659 177.8510 82 A 4.0007 7.9915 121.3205 55.0122 18.3266 179.1798 83 L 3.8401 8.0141 118.6400 58.3654 42.2533 179.1383 84 L 3.9113 7.9087 118.8153 58.1670 41.6933 179.8079 85 T 3.8719 8.2482 115.9101 66.6112 68.1612 176.1462 86 Y 3.8496 7.9572 120.2998 60.7672 39.1859 177.7672 87 I 3.9103 8.0616 120.9345 64.4549 37.0150 178.1827 88 K 3.8581 7.9186 118.9579 59.2452 32.0155 177.7221 89 Q 4.3628 7.4867 114.6423 55.7850 29.5739 175.2147 90 H 4.8587 8.1110 117.3801 55.6797 29.8803 172.7709 91 H 4.8765 7.9330 117.3237 53.2573 32.9202 171.2551 92 P 4.3266 0.0000 0.0000 65.6196 31.3360 176.4891 93 Y 4.7256 7.6765 114.9936 56.9319 39.0204 175.2874 94 Q 4.1712 8.7926 123.7734 58.8744 29.5531 176.5887 95 T 4.5918 7.4571 114.1277 60.7864 68.5163 171.5497 96 P 4.5063 0.0000 0.0000 61.6943 32.9767 176.7487 97 E 4.0493 8.5887 121.2940 56.6518 30.7365 175.7543 98 L 4.7352 8.4689 126.6333 53.5564 44.8420 174.8972 99 L 4.7499 8.8461 124.0976 52.6982 45.2798 175.9066 100 V 4.4693 8.5333 124.2784 61.6405 32.7093 174.8023 101 L 4.7632 9.0525 129.3546 52.8678 43.2303 174.8920 102 P 4.8833 0.0000 0.0000 62.6554 32.9073 175.6033 103 V 4.3659 8.2330 120.5866 61.1639 33.5617 176.5197 104 R 2.7554 8.4639 125.1047 58.5671 29.8145 175.5005 105 D 4.7481 7.4484 114.8606 53.7883 43.8984 173.3583 106 G 4.1336 7.9546 109.4035 43.1672 0.0000 173.0594 107 D 4.4309 8.5174 119.0429 53.5814 42.4635 176.0970 108 K 3.8494 8.9033 128.1404 60.2453 32.1623 178.3802 109 D 4.4103 8.2237 118.2108 57.4341 40.7755 178.0673 110 Y 4.1618 8.4349 120.1116 60.7785 38.9001 177.8630 111 L 4.0014 8.4004 120.2514 57.7205 41.6826 179.3648 112 S 4.0491 8.2746 113.1445 61.2304 62.2548 176.1674 113 W 4.0195 8.1132 130.8673 60.1888 30.2248 177.5873 114 L 3.0967 7.8500 119.5098 58.0181 41.6687 178.3967 115 N 4.3211 8.4372 116.3641 56.3271 38.3077 177.3588 116 A 3.9309 7.6994 120.4317 54.7729 18.4544 179.4159 117 S 3.9418 7.1033 112.5721 59.8010 63.0731 174.8186 118 L 4.2740 6.4367 121.0592 53.1607 42.4228 176.6008 119 L 4.0570 8.0339 121.6233 55.8209 41.8972 176.9752 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 15 Y 8.37 5.05 0.00 2.87 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 16 S 8.07 4.39 0.00 4.01 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 17 N 8.86 4.89 0.00 2.81 3.11 0.00 0.00 5.83 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.76 4.82 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 19 I 8.96 4.90 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.84 1.02 0.00 0.00 20 V 8.65 4.82 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 0.91 0.00 0.00 1.00 0.00 0.00 21 V 9.16 4.82 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 1.00 0.00 0.00 0.97 0.00 0.00 22 L 9.15 5.09 0.00 1.65 1.80 0.97 0.65 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 23 C 8.92 5.63 0.00 3.08 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 24 T 8.65 5.38 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 1.33 0.00 0.00 25 A 8.75 4.62 1.11 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 26 P 0.00 4.51 0.00 2.22 2.34 0.00 3.38 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.73 0.00 27 D 7.45 4.66 0.00 3.05 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 28 E 8.67 3.93 0.00 2.01 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 2.38 2.35 0.00 29 A 7.95 3.97 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 30 S 8.53 4.05 0.00 3.94 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 31 A 7.93 3.95 1.38 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 0.00 0.00 0.00 32 Q 8.44 3.93 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 33 N 8.19 4.31 0.00 2.88 2.88 0.00 0.00 6.68 6.08 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 34 L 8.09 4.06 0.00 1.85 1.97 1.17 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.26 4.06 1.34 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 36 A 8.28 3.94 1.38 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 0.00 0.00 0.00 37 Q 8.21 3.90 0.00 2.42 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.72 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 38 V 7.88 3.17 2.47 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 1.12 0.00 0.00 1.03 0.00 0.00 39 L 8.18 4.07 0.00 1.77 1.68 0.97 0.79 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 40 G 8.02 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 0.00 0.00 0.00 41 E 7.91 4.07 0.00 1.71 1.76 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 2.17 1.62 0.00 42 K 7.85 3.80 0.00 1.90 1.82 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.47 7.81 43 L 7.80 4.40 0.00 1.48 1.63 0.78 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.33 4.62 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 45 A 8.63 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 C 7.84 4.80 0.00 3.39 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 47 V 8.40 4.55 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 -0.08 0.00 0.00 0.82 0.00 0.00 48 T 8.70 4.57 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 1.18 0.00 0.00 49 L 8.45 4.91 0.00 1.44 1.54 0.78 0.94 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 50 L 8.94 4.71 0.00 1.59 1.58 0.93 0.74 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 51 P 0.00 4.63 0.00 2.06 2.05 0.00 3.84 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 1.97 1.95 0.00 52 G 8.73 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 0.00 0.00 0.00 53 A 7.84 4.50 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 54 T 8.42 5.04 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 1.10 0.00 0.00 55 S 9.44 4.94 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 56 L 8.41 5.51 0.00 1.46 1.44 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 7.26 4.71 0.00 3.17 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 58 Y 9.00 4.83 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.05 4.98 0.00 3.68 3.03 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 60 E 9.34 3.43 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.47 0.00 61 G 8.50 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.89 4.72 0.00 1.72 1.67 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.52 7.81 63 L 8.24 3.54 0.00 0.51 1.22 0.49 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.59 4.43 0.00 1.16 1.39 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 2.25 2.30 0.00 65 Q 8.15 4.26 0.00 1.80 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.76 0.00 0.00 0.00 0.00 0.00 2.00 2.22 0.00 66 E 9.02 4.73 0.00 1.98 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 2.13 2.45 0.00 67 Y 8.44 4.89 0.00 2.93 2.84 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 68 E 9.46 4.96 0.00 1.95 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 2.40 2.39 0.00 69 V 8.93 4.70 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 0.92 0.00 0.00 0.94 0.00 0.00 70 Q 8.93 4.78 0.00 2.27 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.53 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 71 L 9.33 5.13 0.00 1.86 1.30 1.05 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.73 5.02 0.00 1.50 1.58 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 73 F 9.56 4.73 0.00 2.95 3.04 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 74 K 9.11 4.96 0.00 1.95 1.93 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.46 7.81 75 S 8.89 4.54 0.00 3.90 3.73 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 76 N 8.62 5.55 0.00 3.09 2.85 0.00 0.00 5.74 7.22 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 77 T 8.97 3.93 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 1.33 0.00 0.00 78 D 7.75 4.43 0.00 2.94 2.65 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 0.00 0.00 0.00 0.00 79 H 8.23 4.78 0.00 3.21 3.25 0.00 5.83 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 7.92 3.94 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 81 Q 8.03 3.94 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 82 A 7.99 4.00 1.34 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 83 L 8.01 3.84 0.00 1.95 1.88 0.74 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.91 3.91 0.00 1.87 1.68 0.92 0.49 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 85 T 8.25 3.87 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 1.22 0.00 0.00 86 Y 7.96 3.85 0.00 3.09 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 87 I 8.06 3.91 1.77 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.47 0.92 0.00 0.00 88 K 7.92 3.86 0.00 1.83 2.03 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.52 7.81 89 Q 7.49 4.36 0.00 1.84 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.19 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 90 H 8.11 4.86 0.00 2.97 3.30 0.00 5.79 0.00 0.00 0.00 0.00 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 7.93 4.88 0.00 3.32 3.23 0.00 5.74 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 92 P 0.00 4.33 0.00 1.97 2.05 0.00 3.14 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.74 0.00 93 Y 7.68 4.73 0.00 2.90 2.63 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 0.00 0.00 0.00 94 Q 8.79 4.17 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.23 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 95 T 7.46 4.59 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 1.29 0.00 0.00 96 P 0.00 4.51 0.00 1.99 1.45 0.00 3.81 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 1.92 1.84 0.00 97 E 8.59 4.05 0.00 2.07 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 2.58 2.37 0.00 98 L 8.47 4.74 0.00 1.50 1.54 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.85 4.75 0.00 1.61 1.56 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.53 4.47 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 0.88 0.00 0.00 0.95 0.00 0.00 101 L 9.05 4.76 0.00 1.71 1.61 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.88 0.00 2.38 2.20 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 103 V 8.23 4.37 2.29 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 1.09 0.00 0.00 0.99 0.00 0.00 104 R 8.46 2.76 0.00 1.00 1.50 0.00 2.92 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.39 0.00 105 D 7.45 4.75 0.00 2.53 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 0.00 0.00 0.00 0.00 106 G 7.95 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 0.00 107 D 8.52 4.43 0.00 2.83 2.65 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 0.00 0.00 0.00 0.00 108 K 8.90 3.85 0.00 1.93 1.85 0.00 1.68 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.66 7.81 109 D 8.22 4.41 0.00 2.98 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 0.00 110 Y 8.43 4.16 0.00 3.12 3.17 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 0.00 111 L 8.40 4.00 0.00 1.91 1.73 1.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.27 4.05 0.00 4.00 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 0.00 113 W 8.11 4.02 0.00 3.42 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 0.00 114 L 7.85 3.10 0.00 1.25 1.66 0.98 0.88 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 0.00 115 N 8.44 4.32 0.00 2.83 2.79 0.00 0.00 6.98 7.53 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 0.00 116 A 7.70 3.93 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 0.00 117 S 7.10 3.94 0.00 3.30 3.44 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 0.00 118 L 6.44 4.27 0.00 1.30 0.94 0.77 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.03 4.06 0.00 1.69 1.64 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00