NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2298 8.1727 122.0526 56.2494 34.2080 173.9812 2 V 4.6256 8.0984 125.3009 60.6321 33.2327 174.3808 3 F 4.3387 9.9302 128.9657 57.2747 40.1908 175.1600 4 E 4.2153 9.6065 122.1149 56.0827 30.5884 177.6155 5 R 3.4076 8.9950 123.1124 60.3064 29.9639 179.6795 6 C 4.3407 8.1038 115.2623 59.6271 36.0364 175.5382 7 E 3.8902 8.1139 120.7324 59.2785 29.2727 178.5498 8 L 3.7584 8.3397 120.5045 57.8981 42.0963 178.6274 9 A 3.9723 8.0307 120.8025 55.3686 18.3064 179.8974 10 R 3.9258 8.2506 116.6205 59.5017 30.0977 179.4343 11 T 3.8566 7.8544 115.5608 66.7345 68.5019 176.7400 12 L 3.9066 7.9845 120.8664 57.5174 41.5393 179.5653 13 K 3.9709 8.1200 119.8285 59.3986 31.9232 178.9521 14 R 3.9815 7.8051 118.2147 58.7386 29.9700 177.3882 15 L 4.5110 7.4613 116.9749 54.0029 41.7562 176.8396 16 G 3.9041 7.7349 106.2814 46.8736 0.0000 175.3652 17 M 3.8732 8.0028 121.8025 56.7895 32.2516 175.5152 18 D 4.4323 7.8995 117.2110 57.2388 40.1469 175.7854 19 G 3.9911 9.7304 116.3601 44.6489 0.0000 170.8435 20 Y 4.0127 8.0935 121.2748 59.0761 38.8183 176.2020 21 R 3.6753 9.1237 125.2663 57.1267 27.8048 177.1853 22 G 3.8249 8.4585 104.2004 45.5211 0.0000 173.9418 23 I 4.0900 7.7953 122.1777 59.1990 38.0938 175.9789 24 S 4.6833 8.2902 120.2542 57.4910 64.1653 174.9051 25 L 4.2484 8.8354 122.6943 58.5498 41.7163 179.2811 26 A 4.1786 8.1220 120.0730 55.1203 18.3383 179.2038 27 N 4.4233 8.1107 115.2031 56.2302 38.5378 177.6725 28 W 4.1464 7.9500 119.9195 59.6572 29.1374 178.4504 29 M 4.2181 8.4714 119.1120 58.4223 31.3997 177.7760 30 C 3.1660 8.1351 118.6708 59.2447 43.0958 175.3971 31 L 4.0037 8.0761 121.5595 58.2190 41.6717 178.7835 32 A 4.2162 8.5306 121.0458 54.9997 18.3007 179.3847 33 K 2.9081 8.4215 118.4127 59.4036 32.0543 179.0430 34 W 4.1805 7.9658 117.1202 58.8575 29.0250 177.9217 35 E 4.4956 8.0879 118.2111 57.7376 29.8900 177.0815 36 S 4.5232 7.9939 109.9100 56.7569 64.2799 174.9118 37 G 3.5653 8.6115 108.5783 46.6320 0.0000 173.7855 38 Y 3.7767 7.6951 114.3312 58.3437 35.9284 167.8735 39 N 5.3950 7.7473 119.2614 51.9881 40.2511 176.1257 40 T 4.0118 9.5112 117.0992 64.1610 69.0944 175.8039 41 R 4.3905 8.2331 119.3986 55.7146 30.6372 176.2093 42 A 4.3409 7.7995 121.6111 52.5046 19.3284 177.1902 43 T 5.5871 8.2807 110.2360 58.9559 72.5704 172.8468 44 N 4.9670 8.3010 120.5712 52.4028 42.7739 172.2783 45 Y 4.7969 8.7382 127.0541 56.7423 41.2359 173.8645 46 N 4.9140 8.2223 123.4536 50.8671 39.6415 174.8113 47 A 3.8692 8.6339 127.5660 54.6598 18.7243 178.6499 48 G 3.4863 7.7359 101.0703 49.1355 0.0000 172.8120 49 D 4.5541 8.2749 118.3634 52.1459 40.4674 177.2603 50 R 3.6036 8.1992 116.9194 56.9363 28.1393 175.8984 51 S 4.9228 7.5146 111.0089 56.9604 66.3206 172.7455 52 T 5.1397 8.8819 116.6626 61.9592 72.3692 172.6988 53 D 5.4655 9.0509 125.0360 53.1956 43.1653 175.0641 54 Y 5.0215 9.2417 121.3711 57.3635 41.4636 177.6043 55 G 4.4589 8.9107 112.3872 45.4651 0.0000 173.4623 56 I 3.4877 8.3524 117.4736 63.5465 37.7484 177.1836 57 F 4.7849 7.8234 115.1157 56.3238 39.8065 175.3854 58 Q 3.6267 7.9570 118.9281 57.1830 26.5524 174.2719 59 I 4.3664 8.2319 118.9721 61.0632 39.1519 177.0567 60 N 5.3665 9.2576 126.4035 53.6944 39.6203 175.7148 61 S 4.6148 9.2165 120.8631 60.2655 63.4797 175.4454 62 R 3.8675 9.0244 122.3748 58.4568 30.6070 177.4793 63 Y 4.3563 7.7769 114.0683 57.1322 40.3638 176.7690 64 W 4.9542 8.3775 118.8232 57.0004 32.1228 173.1314 65 C 5.6159 8.2512 112.2034 53.5276 43.9237 172.3552 66 N 5.2209 9.5264 120.0022 52.0399 40.1918 174.7790 67 D 4.7180 8.6537 123.2844 52.2418 40.7152 176.2496 68 G 4.3409 8.5139 113.5507 46.1486 0.0000 175.2607 69 K 4.2531 7.8492 116.0383 57.7158 33.4865 177.0674 70 T 4.1755 7.8654 117.8186 62.5816 68.8320 172.6340 71 P 4.4422 0.0000 0.0000 63.1212 32.5734 176.5025 72 G 4.1295 8.7397 106.6148 46.1969 0.0000 173.6943 73 A 4.2679 7.3207 121.8919 52.0140 18.7663 178.7679 74 V 4.0563 8.1653 114.0102 60.3344 34.0836 175.5959 75 N 4.0866 8.1485 117.7232 54.2163 37.0416 174.9456 76 A 3.9296 7.7968 120.8203 55.3864 18.9946 178.4988 77 C 4.5143 8.5370 111.2422 57.2924 40.8888 173.0488 78 H 4.1572 8.2302 116.4371 56.3015 26.3887 174.6389 79 L 4.7300 8.3191 119.1607 53.3539 45.8666 175.0813 80 S 4.6896 8.5086 121.3824 58.3354 63.7961 176.1964 81 C 4.1313 8.8235 122.7288 59.7474 39.4023 176.5825 82 S 4.1181 7.9322 115.6977 61.4897 62.1627 176.3657 83 K 4.0859 7.7779 119.7853 58.0073 31.7957 177.9718 84 L 4.7238 8.0706 118.4320 54.5139 41.9464 176.6203 85 L 4.8192 7.8920 118.5025 54.4523 42.2121 176.1213 86 D 4.8032 7.6654 119.1857 52.2734 41.4973 175.5838 87 D 4.5748 8.4981 117.1054 55.0526 41.2155 175.8334 88 N 4.7629 7.8108 118.1941 52.4827 39.5446 174.8199 89 I 4.5771 8.5890 120.0203 60.3525 38.0666 176.9248 90 A 3.9477 7.9880 124.8187 55.8980 18.0981 179.8129 91 D 4.3624 8.0147 116.8510 56.5125 39.6389 178.4177 92 D 4.4349 8.0475 119.9502 57.0254 40.7828 178.6787 93 V 3.4053 8.1882 118.9739 65.8861 31.3443 177.7507 94 A 3.8123 7.8798 120.4931 55.5095 18.1489 178.8591 95 C 4.1952 8.2605 116.5636 59.6625 38.8143 175.6602 96 A 3.8487 8.5237 122.7996 54.9058 17.6117 179.7643 97 K 3.6223 7.7133 116.6562 59.2503 32.2279 179.2524 98 R 4.0372 7.4889 119.2016 59.2065 30.1259 178.4598 99 V 2.2107 7.2597 118.0690 65.6925 31.1970 177.8280 100 V 3.9196 7.4986 109.8790 62.5005 31.3753 177.7161 101 R 4.2493 7.7709 117.4526 56.5820 30.5906 176.2350 102 D 4.7792 7.4097 119.3322 52.5065 42.0614 175.4113 103 P 4.2173 0.0000 0.0000 66.0736 31.5338 177.9910 104 Q 4.1552 8.1744 115.1680 55.8382 30.3170 177.1170 105 G 3.6732 7.8658 108.1082 47.1320 0.0000 176.5774 106 I 3.6409 7.8373 121.0091 63.3423 37.9001 177.4777 107 R 4.3868 7.3946 116.1964 57.2830 29.6986 177.3988 108 A 4.0408 7.6410 122.1289 54.2493 18.6297 178.5471 109 W 4.7022 8.1138 117.5603 55.5748 29.8207 177.6628 110 V 3.7891 8.6303 125.6366 64.7838 31.0429 177.9785 111 A 4.0558 8.2588 120.5445 54.0564 18.1813 179.2453 112 W 3.9699 8.3023 127.5479 60.6239 30.7080 178.5512 113 R 3.7409 8.3919 116.1892 58.9167 29.5864 177.9371 114 N 4.4796 7.9683 114.9536 54.2293 39.1022 176.5497 115 R 4.0372 7.2286 115.8289 55.5946 31.6877 175.4433 116 C 4.3994 7.8385 115.3434 57.9307 42.5155 174.2959 117 Q 3.1168 6.4339 118.3844 57.5666 28.4956 176.0761 118 N 4.2066 8.7457 120.1255 53.8338 36.0869 173.4478 119 R 4.5354 7.2853 116.7938 53.7040 33.0731 174.7930 120 D 4.4903 8.5019 118.6138 54.6739 41.3148 175.8832 121 V 4.7110 8.3313 118.3563 61.2164 32.8709 177.7362 122 R 4.1046 8.3931 122.0037 59.0787 30.3414 179.0127 123 Q 4.0042 8.1654 115.8346 59.1970 28.6549 178.1836 124 Y 4.1728 7.9101 115.6575 60.1959 38.2368 177.2824 125 V 4.3442 7.8415 110.8418 60.5936 32.6049 175.4530 126 Q 4.1375 7.6515 119.8460 57.5715 28.7533 176.8749 127 G 3.9304 8.7446 110.8820 47.0460 0.0000 174.7192 128 C 4.5349 8.1537 116.3015 55.7693 40.9980 174.1248 129 G 3.8399 7.9932 107.1835 46.9364 0.0000 174.1552 130 V 3.9956 7.9158 117.5181 61.0860 31.9401 176.1361 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 K 8.17 4.23 0.00 1.73 1.65 0.00 1.25 0.00 0.00 0.79 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.94 1.10 7.81 2 V 8.10 4.63 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 0.95 0.00 0.00 1.01 0.00 0.00 3 F 9.93 4.34 0.00 2.97 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 4 E 9.61 4.22 0.00 1.85 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 0.00 2.47 2.38 0.00 5 R 8.99 3.41 0.00 1.93 1.96 0.00 3.43 0.00 0.00 3.47 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 6 C 8.10 4.34 0.00 3.01 3.12 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 7 E 8.11 3.89 0.00 2.05 2.26 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 2.59 2.41 0.00 8 L 8.34 3.76 0.00 1.43 1.39 0.01 0.49 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 9 A 8.03 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.25 3.93 0.00 1.96 2.00 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 11 T 7.85 3.86 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 1.20 0.00 0.00 12 L 7.98 3.91 0.00 1.64 1.60 0.98 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.12 3.97 0.00 1.95 1.96 0.00 1.55 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.49 7.81 14 R 7.81 3.98 0.00 2.08 2.12 0.00 3.30 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 15 L 7.46 4.51 0.00 1.56 1.55 0.85 0.91 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 16 G 7.73 3.90 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 0.00 17 M 8.00 3.87 0.00 1.36 2.02 0.00 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.23 0.00 18 D 7.90 4.43 0.00 2.68 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 19 G 9.73 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.09 4.01 0.00 3.36 3.21 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 0.00 21 R 9.12 3.68 0.00 1.94 1.87 0.00 3.17 0.00 0.00 2.77 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.43 0.00 22 G 8.46 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 0.00 0.00 0.00 23 I 7.80 4.09 1.94 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.61 -0.44 0.00 0.00 24 S 8.29 4.68 0.00 4.07 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 25 L 8.84 4.25 0.00 2.08 1.82 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.12 4.18 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 27 N 8.11 4.42 0.00 2.84 2.76 0.00 0.00 6.90 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 28 W 7.95 4.15 0.00 3.61 3.16 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 0.00 0.00 0.00 29 M 8.47 4.22 0.00 2.23 2.39 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.97 0.00 30 C 8.14 3.17 0.00 2.58 3.12 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 31 L 8.08 4.00 0.00 1.80 1.85 0.30 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.53 4.22 1.54 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 0.00 0.00 33 K 8.42 2.91 0.00 1.53 1.91 0.00 0.87 0.00 0.00 1.40 0.00 0.00 2.66 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.08 0.81 7.81 34 W 7.97 4.18 0.00 3.30 3.26 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 35 E 8.09 4.50 0.00 2.07 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 2.52 2.38 0.00 36 S 7.99 4.52 0.00 3.95 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 37 G 8.61 3.57 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 0.00 38 Y 7.70 3.78 0.00 3.33 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 39 N 7.75 5.40 0.00 2.84 2.84 0.00 0.00 6.98 7.42 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 40 T 9.51 4.01 4.42 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 1.46 0.00 0.00 41 R 8.23 4.39 0.00 2.01 2.02 0.00 3.42 0.00 0.00 3.32 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 42 A 7.80 4.34 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 43 T 8.28 5.59 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 1.13 0.00 0.00 44 N 8.30 4.97 0.00 2.90 2.85 0.00 0.00 6.59 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 45 Y 8.74 4.80 0.00 2.97 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 46 N 8.22 4.91 0.00 2.61 2.58 0.00 0.00 6.81 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 47 A 8.63 3.87 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 0.00 0.00 0.00 0.00 0.00 48 G 7.74 3.49 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 0.00 0.00 0.00 49 D 8.27 4.55 0.00 2.69 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 50 R 8.20 3.60 0.00 1.94 2.14 0.00 3.08 0.00 0.00 3.15 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.53 0.00 51 S 7.51 4.92 0.00 3.83 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 52 T 8.88 5.14 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 0.74 0.00 0.00 53 D 9.05 5.47 0.00 2.70 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 54 Y 9.24 5.02 0.00 2.91 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 55 G 8.91 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 56 I 8.35 3.49 1.67 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.69 0.01 0.00 0.00 57 F 7.82 4.78 0.00 3.23 2.94 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 58 Q 7.96 3.63 0.00 2.47 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 6.84 0.00 0.00 0.00 0.00 0.00 2.54 2.71 0.00 59 I 8.23 4.37 2.14 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.08 1.14 0.00 0.00 60 N 9.26 5.37 0.00 3.03 3.07 0.00 0.00 6.98 7.63 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 61 S 9.22 4.61 0.00 4.02 4.50 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 62 R 9.02 3.87 0.00 1.56 1.59 0.00 2.70 0.00 0.00 2.90 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 63 Y 7.78 4.36 0.00 2.09 1.50 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 64 W 8.38 4.95 0.00 3.48 3.19 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 65 C 8.25 5.62 0.00 3.12 3.20 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 66 N 9.53 5.22 0.00 2.79 2.69 0.00 0.00 7.05 8.37 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 67 D 8.65 4.72 0.00 2.79 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 68 G 8.51 4.34 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 0.00 69 K 7.85 4.25 0.00 1.92 1.98 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.54 7.81 70 T 7.87 4.18 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 1.14 0.00 0.00 71 P 0.00 4.44 0.00 2.18 2.15 0.00 3.81 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 72 G 8.74 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 73 A 7.32 4.27 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 74 V 8.17 4.06 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 0.65 0.00 0.00 0.95 0.00 0.00 75 N 8.15 4.09 0.00 2.89 2.78 0.00 0.00 7.11 8.25 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 76 A 7.80 3.93 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 77 C 8.54 4.51 0.00 3.21 3.21 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 0.00 78 H 8.23 4.16 0.00 3.31 3.40 0.00 5.64 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.32 4.73 0.00 1.84 1.47 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.51 4.69 0.00 3.90 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 81 C 8.82 4.13 0.00 2.17 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 82 S 7.93 4.12 0.00 4.05 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 83 K 7.78 4.09 0.00 1.95 1.92 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.48 7.81 84 L 8.07 4.72 0.00 1.77 1.94 1.04 0.99 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 85 L 7.89 4.82 0.00 1.68 1.75 1.15 1.45 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 86 D 7.67 4.80 0.00 2.80 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 87 D 8.50 4.57 0.00 2.68 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 88 N 7.81 4.76 0.00 2.74 2.74 0.00 0.00 7.10 7.82 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 89 I 8.59 4.58 1.72 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.83 0.90 0.00 0.00 90 A 7.99 3.95 1.33 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 0.00 0.00 0.00 91 D 8.01 4.36 0.00 2.90 2.94 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 92 D 8.05 4.43 0.00 2.83 2.91 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 93 V 8.19 3.41 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 0.81 0.00 0.00 0.91 0.00 0.00 94 A 7.88 3.81 1.33 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 0.00 0.00 0.00 95 C 8.26 4.20 0.00 3.05 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 96 A 8.52 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.71 3.62 0.00 1.56 1.32 0.00 1.29 0.00 0.00 0.98 0.00 0.00 2.32 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.30 0.86 7.81 98 R 7.49 4.04 0.00 1.91 2.05 0.00 3.24 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.82 0.00 99 V 7.26 2.21 1.82 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 -0.18 0.00 0.00 -0.28 0.00 0.00 100 V 7.50 3.92 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 0.95 0.00 0.00 1.36 0.00 0.00 101 R 7.77 4.25 0.00 1.99 2.02 0.00 3.20 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.96 0.00 102 D 7.41 4.78 0.00 3.07 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 0.00 103 P 0.00 4.22 0.00 2.02 2.12 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 104 Q 8.17 4.16 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.89 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 105 G 7.87 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 0.00 106 I 7.84 3.64 1.09 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.76 -0.64 0.00 0.00 107 R 7.39 4.39 0.00 2.05 2.05 0.00 3.26 0.00 0.00 3.32 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.62 0.00 108 A 7.64 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.11 4.70 0.00 3.48 3.25 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 0.00 110 V 8.63 3.79 2.17 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 0.95 0.00 0.00 0.98 0.00 0.00 111 A 8.26 4.06 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 0.00 112 W 8.30 3.97 0.00 3.45 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.39 3.74 0.00 2.13 1.99 0.00 3.34 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.98 0.00 114 N 7.97 4.48 0.00 2.54 2.70 0.00 0.00 6.85 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 0.00 115 R 7.23 4.04 0.00 0.70 0.66 0.00 2.21 0.00 0.00 2.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.55 0.00 116 C 7.84 4.40 0.00 1.46 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 0.00 117 Q 6.43 3.12 0.00 0.93 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.45 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 118 N 8.75 4.21 0.00 2.80 2.85 0.00 0.00 6.93 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 0.00 119 R 7.29 4.54 0.00 1.73 1.80 0.00 3.13 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 120 D 8.50 4.49 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.33 4.71 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 0.86 0.00 0.00 1.02 0.00 0.00 122 R 8.39 4.10 0.00 2.06 2.02 0.00 3.15 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 123 Q 8.17 4.00 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.89 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 124 Y 7.91 4.17 0.00 3.25 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 0.00 125 V 7.84 4.34 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 0.96 0.00 0.00 1.05 0.00 0.00 126 Q 7.65 4.14 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 127 G 8.74 3.93 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 0.00 0.00 0.00 128 C 8.15 4.53 0.00 3.01 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 0.00 129 G 7.99 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 0.00 130 V 7.92 4.00 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 0.74 0.00 0.00 0.96 0.00 0.00