NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9529 8.3549 109.7366 45.2294 0.0000 173.2648 2 S 3.9065 9.1552 123.2947 60.0619 63.1857 173.9851 3 S 3.6323 8.2532 114.6966 57.6025 61.0627 170.9421 4 G 4.0703 7.0282 108.4173 45.5664 0.0000 171.1026 5 S 4.7138 7.5225 114.4309 56.7169 65.4130 172.9876 6 S 4.3936 8.0969 111.1925 58.6145 63.7873 173.1203 7 G 3.8527 8.1715 116.2393 44.1209 0.0000 173.8597 8 R 4.4267 7.6781 125.3649 53.6928 30.1648 175.5938 9 E 4.7949 8.3610 121.0198 54.5718 33.8037 174.7053 10 E 4.7542 8.4736 118.8137 54.7565 32.5849 175.7171 11 D 4.8722 8.2279 121.3857 52.2655 42.9889 176.1081 12 P 4.0996 0.0000 0.0000 66.1127 31.4830 178.3115 13 H 3.8187 8.0892 118.4870 58.6534 29.8607 175.9117 14 E 4.4115 7.5608 116.0478 56.7604 29.2716 177.1857 15 G 3.8615 7.5557 107.7739 45.5117 0.0000 174.9474 16 K 3.7482 7.0604 119.2357 56.2717 32.3406 177.8843 17 I 3.6022 7.8176 121.9588 62.8380 38.4966 176.8991 18 W 4.4074 7.2149 116.5512 57.6650 28.8217 176.0458 19 F 4.9978 6.4921 121.1624 58.1009 39.4650 174.2606 20 H 4.4779 7.7966 122.7303 54.1726 32.3620 174.4207 21 G 3.7189 8.2531 110.0538 46.6418 0.0000 173.7262 22 K 3.9687 8.1492 118.5490 59.0732 32.1881 177.2964 23 I 4.1213 7.3153 110.4920 60.2543 39.1215 173.2475 24 S 4.7387 7.5508 113.2773 55.8307 65.3080 174.6459 25 K 3.7918 8.6485 121.0639 59.6240 32.0138 178.3550 26 Q 4.3459 8.0484 117.7616 59.0580 28.7655 178.3125 27 E 3.9199 8.2740 118.7745 59.5676 29.4858 178.8958 28 A 3.7976 7.8168 120.5498 55.8614 17.9963 178.9443 29 Y 4.0028 7.4714 113.6000 61.4466 38.4783 178.3276 30 N 4.4734 8.2472 117.2309 56.2408 39.0469 177.0510 31 L 4.1268 8.1988 122.4653 57.3360 41.7000 179.1403 32 L 4.0448 7.9838 117.2505 57.2347 41.5806 178.5529 33 M 4.3444 7.4389 116.5833 56.8270 31.2769 176.4259 34 T 4.3529 7.8912 108.5512 63.5370 70.0916 177.1357 35 V 3.7763 7.7464 117.7447 62.2371 32.2323 175.9413 36 G 4.1960 6.6891 107.3598 44.6381 0.0000 171.0971 37 Q 4.3846 8.1291 117.3653 54.9749 32.4625 173.0824 38 V 3.5758 8.2404 118.8533 64.5074 31.9631 174.9424 39 C 4.3251 8.5912 122.3113 61.2873 26.0582 172.6937 40 S 6.0227 8.1286 113.2076 55.8083 66.7321 173.5599 41 F 6.2654 8.6945 117.6824 54.3904 42.2091 173.0179 42 L 4.8533 8.6147 115.3834 55.0457 43.2148 173.6514 43 V 5.1683 8.8681 121.8396 61.4923 34.0796 174.6603 44 R 5.3399 8.9917 122.8648 52.6099 33.2423 172.4164 45 P 4.4232 0.0000 0.0000 62.6088 32.0449 175.7015 46 S 3.8471 8.3179 121.5758 59.2588 62.8583 174.2464 47 D 4.4308 9.1647 126.6995 56.2460 41.2995 178.2138 48 N 4.1802 8.0760 119.1240 55.7447 37.4092 174.8705 49 T 4.3858 7.6753 114.9712 60.5579 69.5836 170.6943 50 P 4.5311 0.0000 0.0000 63.3304 29.6281 176.3232 51 G 4.2004 7.4704 124.7929 46.4072 0.0000 169.3836 52 D 5.2751 7.2809 120.7894 52.9341 44.6974 174.2705 53 Y 5.4505 8.6877 115.1056 57.4269 43.2206 174.8026 54 S 5.1578 9.0754 114.3251 57.2681 66.7500 172.8523 55 L 4.9573 8.6245 125.2169 54.2734 44.1706 174.8181 56 Y 4.7459 9.2425 123.3075 56.4621 40.4933 174.3178 57 F 5.6399 8.4511 125.9324 56.6327 42.2713 174.2365 58 R 4.8113 7.6939 124.4560 54.5147 32.1681 174.8115 59 T 4.4765 7.8405 115.8938 59.0286 71.6405 174.4126 60 N 4.2523 9.1141 120.7151 56.4941 36.8592 175.9656 61 E 4.0157 7.5290 116.5212 57.3950 29.9089 176.4276 62 N 4.5005 7.7659 113.9975 52.8099 42.6204 173.0393 63 I 4.2463 8.1994 121.6503 61.0306 36.6983 176.2205 64 Q 4.4469 8.3841 126.1644 54.9633 32.0699 174.3411 65 R 4.2222 7.5370 119.0252 56.1350 32.0895 174.8323 66 F 4.8581 9.0077 126.4310 56.0831 41.7764 174.7785 67 K 4.7293 8.7125 118.9916 55.4065 34.9091 175.9470 68 I 5.3462 8.6612 125.5051 58.8805 39.2177 173.9430 69 C 5.7315 8.7418 124.7458 57.2524 29.9077 171.5947 70 P 4.4604 0.0000 0.0000 62.9931 31.8234 175.5081 71 T 4.8194 8.1549 112.0291 59.1135 71.6019 173.1849 72 P 4.5505 0.0000 0.0000 64.1905 31.4752 176.2522 73 N 4.8498 7.5587 117.0076 54.2813 39.4358 173.9387 74 N 4.0866 8.3324 111.5402 54.2209 37.6632 171.3923 75 Q 5.0231 7.7931 115.3242 55.1864 34.7370 174.8866 76 F 5.1675 8.9383 116.2394 56.2023 42.9443 174.5582 77 M 5.4273 8.7111 120.9043 53.1151 34.7687 174.8162 78 M 4.5582 8.1616 122.2962 53.7906 35.5687 175.0572 79 G 3.7747 9.6318 117.2641 46.8385 0.0000 172.8246 80 G 3.6734 8.2594 101.6815 46.2631 0.0000 173.7222 81 R 4.0792 6.9645 117.9688 53.9822 33.0624 174.9783 82 Y 4.8261 7.4542 115.9069 57.5720 40.3898 174.3161 83 Y 4.7473 8.4038 122.1654 55.6248 41.2718 177.0800 84 N 4.4628 8.9468 119.0689 56.3184 38.9162 175.9432 85 S 4.6566 7.6953 110.2375 56.4807 66.6092 174.9153 86 I 3.1568 7.6289 122.0851 64.6244 36.4677 178.6802 87 G 3.7163 7.5866 105.2224 48.0560 0.0000 175.0632 88 D 4.2243 7.5543 119.6098 57.4817 40.9634 178.9192 89 I 2.3324 7.1685 120.1629 64.2569 36.9708 178.0779 90 I 3.4023 7.0645 120.5607 64.2316 36.7686 177.7095 91 D 4.3227 7.4712 118.3513 57.8410 41.0835 178.2626 92 H 4.1898 8.2724 118.7367 59.4796 29.8640 176.7953 93 Y 4.5490 7.4672 119.7101 60.4867 37.4008 178.7117 94 R 4.1550 8.0244 117.6841 58.1083 30.1686 177.3137 95 K 4.4055 8.2728 117.1974 56.1913 34.2905 175.9160 96 E 4.7765 7.8985 119.0839 53.9693 31.1390 175.1758 97 Q 2.9368 8.5234 120.6807 55.7224 28.4597 177.4612 98 I 3.4864 7.6830 121.0522 61.7697 38.5642 174.6380 99 V 4.5400 7.0137 118.7125 60.1657 34.4843 175.2230 100 E 4.0798 8.8751 119.1851 59.5932 29.4500 177.9386 101 G 4.1773 7.6324 103.0765 44.1986 0.0000 172.6299 102 Y 4.8584 7.2265 115.3639 56.6016 42.6486 174.5232 103 Y 4.5846 8.4747 119.2577 55.9000 41.6161 175.6721 104 L 4.3069 8.4366 122.6467 54.6655 41.1495 176.9696 105 K 4.5315 8.6464 124.3841 57.7661 32.3175 176.8338 106 E 4.9293 8.5993 116.6103 54.2745 33.3998 172.6690 107 P 4.3885 0.0000 0.0000 62.3810 32.8841 175.1708 108 V 4.1916 7.8528 120.4609 61.0731 32.0987 174.2152 109 P 4.4429 0.0000 0.0000 62.6905 32.0444 175.8438 110 M 4.2299 8.2361 117.8444 54.7524 32.4321 175.3960 111 Q 4.4290 8.3212 119.5703 54.8108 30.2334 175.8371 112 D 4.7093 8.2020 122.7898 51.5121 40.6176 175.0420 113 Q 3.9776 8.5942 124.3116 59.0334 29.3138 177.5163 114 S 3.9278 7.4284 111.7146 58.3647 62.8483 174.4789 115 G 4.1790 7.9947 116.0996 44.6489 0.0000 170.7651 116 P 4.1914 0.0000 0.0000 65.1733 31.5732 175.3393 117 S 3.9918 8.0548 113.3327 58.5616 61.5645 172.5289 118 S 4.7490 8.1479 120.7056 55.2427 65.5707 174.0441 119 G 4.1163 8.7660 110.1261 46.1464 0.0000 173.2985 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 G 8.35 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 0.00 0.00 0.00 2 S 9.16 3.91 0.00 3.95 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 0.00 3 S 8.25 3.63 0.00 4.02 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.03 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 0.00 0.00 0.00 5 S 7.52 4.71 0.00 3.97 3.88 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 0.00 0.00 0.00 6 S 8.10 4.39 0.00 3.79 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 7 G 8.17 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.68 4.43 0.00 1.92 1.97 0.00 2.98 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 9 E 8.36 4.79 0.00 1.91 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 2.20 2.25 0.00 10 E 8.47 4.75 0.00 1.90 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 11 D 8.23 4.87 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.10 0.00 2.17 2.27 0.00 3.68 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 2.04 1.93 0.00 13 H 8.09 3.82 0.00 3.06 2.98 0.00 5.68 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 14 E 7.56 4.41 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.20 0.00 15 G 7.56 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.06 3.75 0.00 0.79 0.74 0.00 1.74 0.00 0.00 1.40 0.00 0.00 2.75 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.08 0.57 7.81 17 I 7.82 3.60 1.83 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 1.47 0.71 0.98 0.00 0.00 18 W 7.21 4.41 0.00 3.48 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 19 F 6.49 5.00 0.00 1.84 2.52 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 20 H 7.80 4.48 0.00 3.06 2.90 0.00 5.61 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 21 G 8.25 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.15 3.97 0.00 1.70 1.86 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.42 7.81 23 I 7.32 4.12 1.81 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.40 0.89 0.00 0.00 24 S 7.55 4.74 0.00 3.94 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 25 K 8.65 3.79 0.00 1.81 1.86 0.00 2.04 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.68 7.81 26 Q 8.05 4.35 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 27 E 8.27 3.92 0.00 2.18 1.97 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 2.39 2.38 0.00 28 A 7.82 3.80 0.90 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 29 Y 7.47 4.00 0.00 3.20 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.25 4.47 0.00 2.87 2.84 0.00 0.00 7.04 6.67 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 31 L 8.20 4.13 0.00 1.77 1.62 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.98 4.04 0.00 1.60 1.73 1.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 33 M 7.44 4.34 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.55 0.00 34 T 7.89 4.35 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 1.24 0.00 0.00 35 V 7.75 3.78 2.08 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 0.69 0.00 0.00 0.92 0.00 0.00 36 G 6.69 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 0.00 0.00 0.00 0.00 37 Q 8.13 4.38 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.54 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 38 V 8.24 3.58 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 0.89 0.00 0.00 0.94 0.00 0.00 39 C 8.59 4.33 0.00 3.31 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.13 6.02 0.00 3.92 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 41 F 8.69 6.27 0.00 3.27 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.61 4.85 0.00 1.70 1.69 0.81 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.87 5.17 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 1.36 0.00 0.00 1.18 0.00 0.00 44 R 8.99 5.34 0.00 1.71 1.79 0.00 2.38 0.00 0.00 2.81 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.48 0.00 45 P 0.00 4.42 0.00 2.07 2.23 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 46 S 8.32 3.85 0.00 3.86 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 47 D 9.16 4.43 0.00 2.80 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 48 N 8.08 4.18 0.00 2.82 3.02 0.00 0.00 5.82 7.76 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 49 T 7.68 4.39 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 50 P 0.00 4.53 0.00 2.17 2.10 0.00 3.84 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 51 G 7.47 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 0.00 0.00 0.00 0.00 52 D 7.28 5.28 0.00 2.66 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 53 Y 8.69 5.45 0.00 3.19 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 54 S 9.08 5.16 0.00 4.04 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 55 L 8.62 4.96 0.00 1.97 1.82 0.94 0.42 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 56 Y 9.24 4.75 0.00 2.92 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.45 5.64 0.00 3.18 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 58 R 7.69 4.81 0.00 1.87 1.69 0.00 3.03 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.41 0.00 59 T 7.84 4.48 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 0.29 0.00 0.00 60 N 9.11 4.25 0.00 2.88 3.10 0.00 0.00 6.25 7.85 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 61 E 7.53 4.02 0.00 1.98 1.97 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 2.42 2.43 0.00 62 N 7.77 4.50 0.00 2.57 2.56 0.00 0.00 7.34 8.81 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 63 I 8.20 4.25 2.05 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 1.36 0.67 1.06 0.00 0.00 64 Q 8.38 4.45 0.00 1.74 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.55 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 65 R 7.54 4.22 0.00 1.31 1.48 0.00 3.08 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 66 F 9.01 4.86 0.00 2.97 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.71 4.73 0.00 1.78 1.82 0.00 1.55 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.50 7.81 68 I 8.66 5.35 2.28 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 1.33 0.90 1.29 0.00 0.00 69 C 8.74 5.73 0.00 2.94 2.88 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 0.00 0.00 0.00 70 P 0.00 4.46 0.00 1.98 1.94 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.18 0.00 71 T 8.15 4.82 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 1.31 0.00 0.00 72 P 0.00 4.55 0.00 2.19 2.19 0.00 3.72 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 1.97 1.98 0.00 73 N 7.56 4.85 0.00 2.64 2.82 0.00 0.00 6.98 7.81 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 74 N 8.33 4.09 0.00 2.76 2.81 0.00 0.00 7.05 7.13 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 75 Q 7.79 5.02 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.50 0.00 0.00 0.00 0.00 0.00 2.64 2.59 0.00 76 F 8.94 5.17 0.00 3.00 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 77 M 8.71 5.43 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.29 0.00 78 M 8.16 4.56 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.39 0.00 79 G 9.63 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 80 G 8.26 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 0.00 0.00 0.00 81 R 6.96 4.08 0.00 1.89 1.52 0.00 3.25 0.00 0.00 3.02 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 82 Y 7.45 4.83 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 83 Y 8.40 4.75 0.00 2.93 2.75 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 84 N 8.95 4.46 0.00 2.89 2.93 0.00 0.00 6.78 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.70 4.66 0.00 3.93 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.63 3.16 1.43 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 -0.36 0.43 0.00 0.00 87 G 7.59 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 7.55 4.22 0.00 2.95 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.17 2.33 1.49 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.73 0.23 0.00 0.00 90 I 7.06 3.40 1.73 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.32 0.88 0.00 0.00 91 D 7.47 4.32 0.00 2.54 2.75 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 92 H 8.27 4.19 0.00 3.18 3.00 0.00 5.65 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 93 Y 7.47 4.55 0.00 2.92 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 94 R 8.02 4.15 0.00 1.97 2.03 0.00 3.12 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 95 K 8.27 4.41 0.00 1.74 1.80 0.00 1.54 0.00 0.00 1.74 0.00 0.00 3.30 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.38 7.81 96 E 7.90 4.78 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.20 0.00 97 Q 8.52 2.94 0.00 1.76 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.09 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 98 I 7.68 3.49 0.56 0.00 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 -0.36 0.13 0.00 0.00 99 V 7.01 4.54 2.35 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 1.08 0.00 0.00 0.97 0.00 0.00 100 E 8.88 4.08 0.00 2.16 2.16 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 2.47 2.48 0.00 101 G 7.63 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 0.00 0.00 0.00 0.00 102 Y 7.23 4.86 0.00 3.12 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 8.47 4.58 0.00 2.96 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.44 4.31 0.00 1.64 1.75 0.09 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.65 4.53 0.00 2.07 1.91 0.00 1.83 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.51 7.81 106 E 8.60 4.93 0.00 2.03 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 0.00 2.26 2.30 0.00 107 P 0.00 4.39 0.00 1.97 1.37 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 108 V 7.85 4.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.95 0.00 0.00 109 P 0.00 4.44 0.00 2.21 2.03 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 110 M 8.24 4.23 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 111 Q 8.32 4.43 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.20 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 112 D 8.20 4.71 0.00 2.56 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 Q 8.59 3.98 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.49 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 114 S 7.43 3.93 0.00 4.11 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 7.99 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 0.00 0.00 0.00 0.00 116 P 0.00 4.19 0.00 2.19 2.19 0.00 3.79 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 1.98 1.94 0.00 117 S 8.05 3.99 0.00 3.84 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.15 4.75 0.00 3.89 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.77 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00