NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4141 8.3044 118.1932 55.4367 32.3114 174.4181 2 M 4.3106 8.3463 117.4511 53.7982 33.7739 174.6879 3 I 5.1828 9.0153 117.5870 59.3121 41.3710 174.3336 4 R 4.7081 9.0288 122.1106 54.4848 34.6445 174.6472 5 G 4.1456 8.7949 110.0935 46.0306 0.0000 172.8074 6 I 4.7371 9.0885 124.8650 59.4034 40.2396 174.8548 7 R 5.0967 8.9578 125.6294 54.9554 32.6861 175.4603 8 G 4.2968 8.7911 108.0217 45.3773 0.0000 171.1700 9 A 5.3309 8.7483 120.4933 51.0754 23.2287 175.2811 10 T 5.2142 9.1274 114.8441 61.2890 71.7839 172.1042 11 T 5.2491 8.3333 112.3778 60.0295 72.0727 173.3965 12 V 4.5163 8.1675 114.9641 59.6421 34.1870 176.2867 13 E 4.1661 9.0130 122.5508 58.8528 29.8136 177.4621 14 R 4.6549 7.8999 112.7440 54.6767 32.4959 175.1338 15 D 4.6084 8.3729 120.2286 53.2118 39.8812 175.7271 16 T 4.7339 7.4622 113.2399 58.4454 73.4941 174.3392 17 E 3.8898 8.5920 122.5493 59.4276 29.6663 178.6312 18 E 3.8999 8.1621 118.8369 59.3886 29.5864 178.6369 19 E 3.9143 8.0332 117.9416 59.5364 29.5984 179.1477 20 I 3.6676 7.7093 119.7829 64.5710 37.1060 178.5524 21 L 3.9720 8.2175 119.8586 57.7218 41.4031 179.2847 22 Q 3.9232 8.3026 119.7867 59.2579 29.0162 178.5164 23 K 3.9929 8.3747 119.7230 59.4181 32.0075 179.6005 24 T 3.8257 8.0424 116.2986 66.3823 68.2857 176.5750 25 K 3.8096 8.3360 121.9109 59.6537 32.2338 178.8963 26 Q 3.9295 8.3072 118.6175 58.6649 28.5648 178.5397 27 L 3.8652 7.9916 121.4257 57.9955 42.0978 178.7254 28 L 3.7884 8.0491 120.5679 58.2283 41.9318 178.6846 29 E 3.8089 8.2828 118.8039 59.3422 29.3208 179.3933 30 K 3.9168 8.1610 119.5985 59.3595 32.2312 178.9184 31 I 3.6590 7.8131 120.1854 64.4875 37.0379 178.4386 32 I 3.7846 8.0113 120.9111 64.3077 36.6974 178.1628 33 E 3.9252 8.1306 119.1628 59.4777 29.6149 178.5292 34 E 4.1754 8.5121 117.6872 58.4743 29.6238 177.9505 35 N 4.7349 8.1458 113.7256 52.0199 39.5874 174.2370 36 H 4.1130 8.2281 116.5803 57.0317 26.8786 175.0092 37 T 4.3490 8.0895 115.2648 62.7688 69.5653 174.8177 38 K 4.5414 8.4008 126.0450 54.0625 33.9558 175.8773 39 P 2.9700 0.0000 0.0000 65.1826 31.0765 178.3826 40 E 3.8379 7.8126 115.5407 58.5658 29.6306 177.0471 41 D 4.5109 7.9646 118.3633 54.1254 41.1786 175.7744 42 V 4.2204 7.3227 120.8650 61.7935 31.7653 175.6503 43 V 3.8725 8.7320 128.8887 64.9640 31.7213 175.6418 44 Q 4.7797 7.5460 115.6628 56.2413 31.2692 171.6359 45 M 5.3536 8.6417 118.3424 53.9994 36.3376 173.4553 46 L 5.3795 9.0695 123.9090 52.9286 45.8076 175.3909 47 L 5.3441 8.8140 122.3756 52.9551 45.1092 175.7997 48 S 6.0029 9.5394 117.6636 55.8505 66.3849 172.7994 49 A 5.2950 8.2346 121.6142 50.0468 22.7826 175.7890 50 T 4.3603 8.3217 110.5973 60.7640 70.1175 173.5745 51 P 4.4664 0.0000 0.0000 63.9806 31.2073 176.2650 52 D 4.6875 7.8600 117.2389 53.1905 39.7747 175.6697 53 L 4.7425 7.4004 119.8945 53.7524 43.5658 175.9720 54 H 4.7597 9.2159 117.5587 55.0049 31.3764 174.4353 55 A 4.1217 8.2998 123.3874 54.7728 18.4573 178.0795 56 V 4.2245 6.8753 111.5138 60.6055 33.8134 172.8236 57 F 4.2923 8.4443 120.6019 56.6778 39.3063 175.0658 58 P 4.2796 0.0000 0.0000 65.2942 31.0218 178.3040 59 A 4.0977 8.2535 119.2532 54.7049 18.2105 179.0636 60 K 3.7904 8.3714 118.4609 59.8941 31.9304 178.7230 61 A 4.0097 7.8911 120.0366 54.8386 18.5305 179.5553 62 V 3.5649 7.6717 116.4707 66.3323 31.5598 178.4468 63 R 4.0483 8.0839 116.4233 58.7710 29.9358 178.1367 64 E 4.2960 7.8884 116.5666 56.1598 30.2174 176.5272 65 L 3.9916 7.3166 122.8963 54.2686 42.6298 176.0418 66 S 4.2678 8.5975 121.0453 60.0756 62.6184 174.1778 67 G 4.0672 8.9316 116.8223 45.2377 0.0000 173.8224 68 W 4.4690 8.4649 119.0713 56.3074 29.2598 178.0201 69 Q 3.9450 7.9668 117.9595 58.5296 28.0195 176.5323 70 Y 4.6136 7.4858 114.1386 57.4992 38.4370 175.3044 71 V 3.8442 7.6409 121.8187 61.5348 32.2380 173.7262 72 P 4.5854 0.0000 0.0000 62.8165 32.4201 175.4060 73 V 5.5095 8.1988 122.4597 60.9966 35.0740 173.5235 74 T 4.6848 8.3690 119.1558 61.3849 71.3270 171.5465 75 C 5.8672 8.5915 121.6042 57.8627 31.5776 172.7059 76 M 4.7461 8.0757 115.0303 54.4712 34.0123 173.4129 77 Q 4.6836 8.5905 121.7989 55.5257 29.8145 175.2899 78 E 4.3159 8.9697 128.6567 55.9752 30.5006 176.4889 79 M 4.1483 8.5390 122.2134 55.4626 31.8373 176.4128 80 D 4.5215 8.3467 121.4020 53.2304 40.2357 174.1921 81 V 4.0217 7.7762 124.1259 60.9566 32.7142 175.2191 82 T 4.0793 8.3934 124.2740 65.8500 68.2158 174.5655 83 G 3.9436 8.9919 115.8322 44.8440 0.0000 173.3498 84 G 3.7258 7.8450 108.7941 44.7042 0.0000 173.4854 85 L 3.8860 8.3685 122.1782 55.3479 42.3711 177.3466 86 K 4.2483 8.5073 124.7682 55.9845 33.8274 176.2692 87 K 3.8716 8.8693 118.1671 58.1457 30.3627 174.3979 88 C 5.3333 8.2269 118.2859 57.6300 34.8294 173.0763 89 I 5.0026 8.6848 126.7373 59.6497 39.4864 174.8552 90 R 5.1603 9.0313 125.4255 54.3302 34.0030 174.8054 91 V 4.8526 8.7172 121.4949 61.3902 35.1495 174.3141 92 M 5.0372 9.0397 126.0138 54.1344 34.6888 173.0008 93 M 4.8016 9.2526 127.1616 54.1354 34.5994 174.4466 94 T 5.0456 8.9583 123.6337 62.2514 70.5996 174.2360 95 V 4.8635 8.7891 119.5537 59.3576 36.0759 174.5614 96 Q 4.6478 8.7645 125.6240 56.0909 29.3842 175.0035 97 T 4.5540 8.3947 119.2996 61.6241 70.4990 173.0654 98 D 4.5779 8.8396 125.9448 54.8622 41.6130 177.1548 99 V 3.6653 7.5175 120.6082 61.9067 32.0546 174.1105 100 P 4.4314 0.0000 0.0000 62.3686 31.8850 176.8459 101 Q 3.9482 8.9048 121.9272 59.5718 28.8510 178.0525 102 D 4.7561 8.0713 113.1353 53.9866 39.5554 176.2564 103 Q 4.5622 7.8822 117.4138 55.6740 30.1393 176.0213 104 I 3.6608 7.3398 119.6140 61.3656 37.4936 176.1516 105 R 4.3177 8.5655 124.5841 55.0275 29.5976 175.7986 106 H 4.6688 8.2688 120.1483 55.1677 30.2077 175.2711 107 V 4.2581 8.0969 120.8065 61.2123 34.6859 173.7451 108 Y 5.1657 8.5992 124.5218 56.4018 40.6480 174.6267 109 L 4.7909 8.9250 123.7856 52.1338 46.3214 177.7241 110 E 3.5003 8.7894 118.9394 58.0540 28.2541 177.8000 111 K 4.2921 9.0297 124.1266 58.7215 32.0616 177.5241 112 A 4.3521 7.9849 121.0861 52.7981 18.4581 179.4191 113 V 3.8758 7.7429 112.2684 64.1429 31.3696 178.2550 114 V 3.8478 7.1849 109.5074 62.6989 31.4660 177.1278 115 L 4.2013 7.7301 118.3618 53.6954 42.4231 176.9776 116 R 3.7757 7.3309 120.7740 55.3987 30.4023 176.1177 117 P 4.3822 0.0000 0.0000 65.3409 31.7067 177.4270 118 D 4.4656 8.0712 117.8497 56.0818 41.0555 176.0157 119 L 4.5906 7.2011 118.3160 53.0301 43.0887 176.1563 120 S 4.7811 8.2185 117.0537 56.0408 65.3135 173.6641 121 L 4.1162 8.0936 121.7033 55.6752 40.9793 176.8041 122 T 4.1470 8.2925 119.0873 62.9141 68.7325 174.6288 123 K 3.9741 8.8016 128.6966 58.4651 32.5181 176.1579 124 N 4.8694 7.8609 117.4327 51.7947 40.1761 173.7696 125 T 4.1898 8.5571 116.0554 63.0125 69.6047 175.0750 126 E 4.5434 8.2547 120.6284 57.1462 31.6563 175.6803 127 L 4.0976 8.3031 122.8490 56.1121 40.4486 174.9312 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 M 8.30 4.41 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 2 M 8.35 4.31 0.00 2.25 1.96 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 2.67 0.00 3 I 9.02 5.18 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.86 0.91 0.00 0.00 4 R 9.03 4.71 0.00 1.68 1.80 0.00 3.30 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 5 G 8.79 4.15 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 0.00 6 I 9.09 4.74 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 1.22 0.82 0.87 0.00 0.00 7 R 8.96 5.10 0.00 1.71 1.82 0.00 3.39 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 8 G 8.79 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 9 A 8.75 5.33 1.41 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 0.00 0.00 0.00 10 T 9.13 5.21 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 1.27 0.00 0.00 11 T 8.33 5.25 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 1.22 0.00 0.00 12 V 8.17 4.52 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 0.72 0.00 0.00 0.93 0.00 0.00 13 E 9.01 4.17 0.00 2.09 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 0.00 2.31 2.23 0.00 14 R 7.90 4.65 0.00 1.87 1.83 0.00 3.21 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.69 0.00 15 D 8.37 4.61 0.00 2.61 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 16 T 7.46 4.73 4.23 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 1.20 0.00 0.00 17 E 8.59 3.89 0.00 2.04 1.98 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 2.37 2.36 0.00 18 E 8.16 3.90 0.00 2.03 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 2.37 2.35 0.00 19 E 8.03 3.91 0.00 2.08 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 2.32 2.33 0.00 20 I 7.71 3.67 1.85 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 1.49 0.72 0.89 0.00 0.00 21 L 8.22 3.97 0.00 1.70 1.69 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.30 3.92 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 23 K 8.37 3.99 0.00 1.83 1.82 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.80 7.81 24 T 8.04 3.83 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 1.25 0.00 0.00 25 K 8.34 3.81 0.00 1.76 1.93 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.37 7.81 26 Q 8.31 3.93 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 27 L 7.99 3.87 0.00 1.80 1.84 0.91 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.05 3.79 0.00 1.58 1.55 0.58 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.28 3.81 0.00 2.12 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 2.19 2.35 0.00 30 K 8.16 3.92 0.00 1.83 1.87 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.40 1.56 7.81 31 I 7.81 3.66 1.92 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 1.46 0.27 0.92 0.00 0.00 32 I 8.01 3.78 1.98 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.68 1.07 0.00 0.00 33 E 8.13 3.93 0.00 1.94 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 0.00 2.32 2.48 0.00 34 E 8.51 4.18 0.00 1.94 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 0.00 2.34 2.56 0.00 35 N 8.15 4.73 0.00 2.83 2.85 0.00 0.00 7.04 7.75 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 36 H 8.23 4.11 0.00 3.30 3.39 0.00 5.66 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.09 4.35 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 1.35 0.00 0.00 38 K 8.40 4.54 0.00 1.92 1.84 0.00 1.67 0.00 0.00 2.03 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.43 7.81 39 P 0.00 2.97 0.00 1.46 0.49 0.00 3.57 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 1.77 1.60 0.00 40 E 7.81 3.84 0.00 2.01 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 2.19 2.22 0.00 41 D 7.96 4.51 0.00 2.81 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 42 V 7.32 4.22 1.98 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 0.90 0.00 0.00 0.81 0.00 0.00 43 V 8.73 3.87 2.21 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 0.81 0.00 0.00 0.93 0.00 0.00 44 Q 7.55 4.78 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.62 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 45 M 8.64 5.35 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 46 L 9.07 5.38 0.00 1.61 1.52 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.81 5.34 0.00 1.58 1.55 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 48 S 9.54 6.00 0.00 3.90 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 49 A 8.23 5.30 1.19 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 0.00 0.00 0.00 50 T 8.32 4.36 4.23 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 1.28 0.00 0.00 51 P 0.00 4.47 0.00 2.21 2.36 0.00 3.74 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 1.98 1.95 0.00 52 D 7.86 4.69 0.00 2.76 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 53 L 7.40 4.74 0.00 1.66 1.51 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 54 H 9.22 4.76 0.00 3.05 3.17 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.30 4.12 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 56 V 6.88 4.22 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 0.65 0.00 0.00 1.03 0.00 0.00 57 F 8.44 4.29 0.00 3.16 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 58 P 0.00 4.28 0.00 2.18 2.12 0.00 3.73 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 59 A 8.25 4.10 1.36 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 0.00 0.00 0.00 60 K 8.37 3.79 0.00 1.91 1.97 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.50 7.81 61 A 7.89 4.01 1.32 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 0.00 0.00 0.00 62 V 7.67 3.56 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 1.20 0.00 0.00 0.89 0.00 0.00 63 R 8.08 4.05 0.00 1.94 1.98 0.00 3.20 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 64 E 7.89 4.30 0.00 2.01 1.98 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 2.31 2.49 0.00 65 L 7.32 3.99 0.00 1.69 1.48 0.78 -0.04 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 66 S 8.60 4.27 0.00 3.89 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 67 G 8.93 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 68 W 8.46 4.47 0.00 3.63 3.35 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 69 Q 7.97 3.94 0.00 1.75 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 7.02 0.00 0.00 0.00 0.00 0.00 1.24 1.50 0.00 70 Y 7.49 4.61 0.00 2.99 2.93 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 71 V 7.64 3.84 2.37 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 0.89 0.00 0.00 0.60 0.00 0.00 72 P 0.00 4.59 0.00 2.17 2.19 0.00 3.71 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.97 0.00 73 V 8.20 5.51 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 0.74 0.00 0.00 1.08 0.00 0.00 74 T 8.37 4.68 4.22 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 1.22 0.00 0.00 75 C 8.59 5.87 0.00 3.09 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 76 M 8.08 4.75 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.72 0.00 77 Q 8.59 4.68 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 78 E 8.97 4.32 0.00 1.98 1.98 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 2.33 2.31 0.00 79 M 8.54 4.15 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 80 D 8.35 4.52 0.00 2.66 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 81 V 7.78 4.02 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 0.96 0.00 0.00 0.93 0.00 0.00 82 T 8.39 4.08 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 83 G 8.99 3.94 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 0.00 0.00 0.00 84 G 7.84 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 0.00 0.00 0.00 85 L 8.37 3.89 0.00 1.59 1.61 0.92 0.62 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 86 K 8.51 4.25 0.00 1.76 1.81 0.00 1.83 0.00 0.00 1.91 0.00 0.00 3.08 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.41 1.51 7.81 87 K 8.87 3.87 0.00 1.91 1.84 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.47 7.81 88 C 8.23 5.33 0.00 3.10 2.74 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 89 I 8.68 5.00 1.87 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 0.62 0.91 0.00 0.00 90 R 9.03 5.16 0.00 1.74 1.82 0.00 3.14 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 91 V 8.72 4.85 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 0.97 0.00 0.00 0.91 0.00 0.00 92 M 9.04 5.04 0.00 2.16 1.92 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 2.50 2.51 0.00 93 M 9.25 4.80 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.60 0.00 94 T 8.96 5.05 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 95 V 8.79 4.86 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 0.79 0.00 0.00 0.99 0.00 0.00 96 Q 8.76 4.65 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.60 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 97 T 8.39 4.55 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 98 D 8.84 4.58 0.00 2.70 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 99 V 7.52 3.67 2.07 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 0.74 0.00 0.00 0.90 0.00 0.00 100 P 0.00 4.43 0.00 2.34 1.96 0.00 3.75 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 2.23 2.07 0.00 101 Q 8.90 3.95 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.07 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 102 D 8.07 4.76 0.00 2.82 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 0.00 103 Q 7.88 4.56 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 104 I 7.34 3.66 1.81 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 1.50 0.74 0.80 0.00 0.00 105 R 8.57 4.32 0.00 1.86 2.08 0.00 3.29 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 106 H 8.27 4.67 0.00 3.07 3.14 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.10 4.26 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 0.90 0.00 0.00 0.98 0.00 0.00 108 Y 8.60 5.17 0.00 2.92 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 0.00 109 L 8.93 4.79 0.00 1.54 1.54 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.79 3.50 0.00 2.14 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 0.00 2.31 2.41 0.00 111 K 9.03 4.29 0.00 1.81 1.84 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.46 1.45 7.81 112 A 7.98 4.35 1.48 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 0.00 113 V 7.74 3.88 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 0.84 0.00 0.00 0.98 0.00 0.00 114 V 7.18 3.85 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 0.77 0.00 0.00 0.94 0.00 0.00 115 L 7.73 4.20 0.00 1.15 1.22 0.93 0.75 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 0.00 116 R 7.33 3.78 0.00 1.85 2.11 0.00 3.19 0.00 0.00 3.44 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.67 0.00 117 P 0.00 4.38 0.00 2.17 2.15 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 2.03 2.03 0.00 118 D 8.07 4.47 0.00 2.68 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 0.00 119 L 7.20 4.59 0.00 1.69 1.56 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.22 4.78 0.00 3.95 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 0.00 121 L 8.09 4.12 0.00 1.75 1.70 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 122 T 8.29 4.15 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 0.00 123 K 8.80 3.97 0.00 1.71 1.82 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.42 7.81 124 N 7.86 4.87 0.00 2.67 2.76 0.00 0.00 6.99 7.70 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 0.00 125 T 8.56 4.19 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 0.00 126 E 8.25 4.54 0.00 2.06 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 2.21 2.20 0.00 127 L 8.30 4.10 0.00 1.69 1.57 0.92 0.67 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