NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7044 8.4249 118.1183 53.2012 39.9073 174.3491 2 N 4.3542 8.5906 118.5245 54.9078 39.0997 174.4282 3 C 4.5029 8.3026 114.3306 54.0016 43.1123 171.5300 4 P 4.3444 0.0000 0.0000 62.1697 31.4482 177.8550 5 L 4.0019 8.4971 120.6552 57.5489 41.6174 177.9778 6 D 4.8016 8.1510 115.9157 52.6401 39.6347 175.6166 7 W 4.6280 7.8638 118.6198 55.1386 32.3531 175.0418 8 L 4.1679 8.7539 125.7500 53.3495 42.6198 173.8915 9 P 4.9562 0.0000 0.0000 62.4268 32.3007 176.0816 10 M 4.4539 9.7173 124.8964 55.3839 35.2871 174.4025 11 N 4.1698 10.0084 126.0604 54.4100 36.1474 175.1751 12 G 3.9558 8.2277 103.9939 45.2038 0.0000 171.7950 13 L 4.8499 7.8503 118.7570 52.9191 46.1097 174.4117 14 C 5.5825 8.6271 116.3627 55.6408 41.8095 173.3338 15 Y 5.5776 9.1777 121.1905 56.3488 41.3802 174.8420 16 K 4.4800 8.8069 123.5067 54.9112 35.8983 174.6915 17 I 4.2707 8.3506 122.0085 60.3386 39.0711 175.1142 18 F 3.9978 8.6752 125.3777 54.7929 40.4762 176.5690 19 N 4.9471 8.0317 125.8067 52.9216 38.1086 175.0920 20 Q 4.7125 7.2579 116.9161 54.0412 33.7176 176.1994 21 L 5.1021 8.6149 122.8890 54.0843 42.8437 176.1814 22 K 4.9415 9.2636 122.5884 54.7542 37.3418 176.2195 23 T 5.4573 8.4527 111.1241 60.4641 70.0835 175.3796 24 W 2.7646 8.6358 131.8205 60.4125 30.3847 178.0615 25 E 3.7852 8.2092 117.8158 59.4921 28.9440 178.9567 26 D 4.2725 7.9269 118.2740 57.0882 40.8126 178.6651 27 A 2.8831 7.7604 121.5339 54.5020 18.1523 179.2713 28 E 3.4908 7.3572 117.6808 59.7288 29.6276 179.0120 29 M 3.9563 7.8142 118.5961 58.1117 31.6894 178.6029 30 F 3.8935 7.9567 120.1716 61.3767 39.8517 176.2033 31 C 4.6112 8.2193 116.0267 60.3496 39.8787 176.2247 32 R 3.9872 7.8459 119.6412 58.5247 29.8044 178.5985 33 K 4.1592 7.9348 115.0948 57.2375 32.2930 178.2931 34 Y 4.0321 7.6947 120.9704 58.9065 39.1878 175.3047 35 K 4.3891 6.9506 115.9036 54.2522 35.5603 173.7383 36 P 4.0601 0.0000 0.0000 64.3311 31.7285 176.7758 37 G 3.9312 9.0987 111.3294 45.3779 0.0000 172.9495 38 C 5.3887 7.6793 115.5897 55.6690 42.4098 172.3232 39 H 4.8141 8.8586 116.6613 54.7163 33.6819 173.1612 40 L 4.7190 10.2042 120.6350 54.7911 42.1478 177.7282 41 A 4.6253 9.2557 124.6718 52.2826 19.5309 176.9789 42 S 3.4055 9.0888 115.7158 55.8032 65.3328 173.7143 43 F 4.7795 6.4675 119.5643 56.3197 41.5989 174.9274 44 H 5.1094 9.5801 118.9920 54.6197 31.1535 174.0958 45 R 4.3119 6.9578 117.6566 53.3198 35.4192 174.9708 46 Y 4.5174 7.9872 123.6433 60.4171 38.8788 178.8479 47 G 3.7111 8.2066 106.1489 47.7910 0.0000 175.3953 48 E 3.8621 7.8649 120.3106 59.2103 29.5333 179.2592 49 S 4.4506 7.8566 115.0246 61.8036 62.9536 176.8469 50 L 3.9387 7.6197 121.4199 57.6665 41.3482 179.2593 51 E 3.9279 8.2979 119.2587 59.3423 29.5729 178.9321 52 I 3.7923 8.2546 120.0462 64.2804 37.2086 178.0995 53 A 4.1453 8.5462 122.0731 55.3415 18.2130 179.3517 54 E 3.9252 8.2789 117.6565 59.5055 29.6691 178.2423 55 Y 4.3105 8.1742 119.5493 61.0084 38.8926 178.2655 56 I 3.0589 7.9939 120.9638 64.2424 36.8672 178.6182 57 S 4.1795 7.8716 114.9909 61.7603 62.7325 176.1962 58 D 4.4203 8.1619 120.5957 56.3137 40.6947 177.3949 59 Y 4.6269 7.8044 114.4470 56.8016 38.7179 175.4752 60 H 4.4618 7.9670 120.2687 54.2717 31.0036 172.8883 61 K 4.1412 8.0946 125.6791 56.2082 34.0376 177.1541 62 G 3.7686 8.6610 105.2114 44.7341 0.0000 173.8303 63 Q 4.8555 8.1059 118.1755 54.5923 29.6345 175.4057 64 E 4.2485 8.1075 118.0076 56.3354 30.4216 176.6926 65 N 4.8483 8.6547 121.0894 53.0275 40.9326 173.7537 66 V 4.8346 8.3258 118.7261 60.8170 34.8386 174.8163 67 W 5.5239 9.4405 129.1226 57.2376 30.1666 175.2840 68 I 5.2301 9.1519 116.6603 58.5569 41.3780 175.6060 69 G 4.4453 9.5082 106.8135 46.9262 0.0000 172.5702 70 L 4.8988 8.0762 123.4664 53.6048 43.5912 175.4707 71 R 4.8840 8.8776 124.7285 55.2492 33.7882 173.1006 72 D 4.6734 8.4860 124.2082 51.0678 39.7413 176.2810 73 K 3.6991 7.9749 122.9930 58.6633 32.8164 177.8831 74 K 3.8212 7.5865 118.1198 57.0191 32.3427 176.8369 75 K 3.6153 7.5859 115.8825 57.3648 29.4099 175.4354 76 D 4.8476 7.3699 116.0376 53.2600 39.8020 174.8502 77 F 3.1729 7.8873 113.9279 59.9265 36.0755 176.6666 78 S 4.6165 7.7433 116.8337 56.3133 63.3234 171.9498 79 W 4.7909 8.3394 126.7912 57.1183 29.7862 175.2915 80 E 4.8169 9.2948 124.0860 54.2414 33.5831 175.0804 81 W 5.4305 8.7141 122.4974 56.2477 30.3193 177.9053 82 T 4.0885 9.1852 114.5016 64.6122 68.4134 174.9576 83 D 4.1615 8.2858 119.2166 52.8243 39.5379 176.6236 84 R 3.9657 8.1527 117.0238 57.0288 28.4173 176.3845 85 S 4.4565 8.4923 113.0809 57.8509 63.7132 173.4684 86 C 4.4700 8.4374 121.1189 59.6486 31.8335 173.9429 87 T 4.9089 8.5981 123.5867 62.8677 66.7651 173.5932 88 D 5.1443 8.6885 123.0523 52.3188 40.6398 175.4832 89 Y 4.7784 7.9234 118.5627 57.3125 41.7198 173.1771 90 L 4.2256 7.4287 125.7045 53.3686 46.2958 176.8872 91 T 3.9707 5.7900 113.8363 60.3405 67.5845 172.9512 92 W 4.6994 7.0234 122.8284 56.6058 30.7854 176.9935 93 D 4.6532 9.5214 123.3601 53.0804 42.6510 175.1237 94 K 3.8640 8.5553 122.0567 57.8041 32.2711 175.8271 95 N 4.2387 8.9487 122.5479 54.0787 36.0580 173.6448 96 Q 4.5612 7.6270 116.1398 53.1355 31.6829 173.7397 97 P 4.2413 0.0000 0.0000 62.2391 32.1979 175.6924 98 D 4.8338 8.6831 116.5827 52.2939 40.8445 175.0880 99 H 4.0780 9.7375 117.9662 56.2102 27.2680 174.2296 100 Y 4.5127 8.3921 118.4245 59.6381 38.8785 175.8416 101 Q 3.1904 9.2430 124.2658 56.5589 26.3612 173.1365 102 N 4.1463 8.4926 112.2536 54.3710 36.5551 174.7970 103 K 4.3285 7.7433 115.6397 55.6115 33.4326 174.7848 104 E 4.6013 7.2730 117.1430 55.5169 30.4052 175.2206 105 F 5.0731 8.3559 120.1006 56.8511 42.0373 174.9919 106 C 4.9279 8.3379 116.8717 54.9042 39.1584 173.0159 107 V 5.2539 8.4468 122.2727 61.4857 33.5972 174.4005 108 E 5.4109 9.1700 123.7872 54.5678 33.7651 174.3234 109 L 4.8113 9.2216 121.8665 54.3822 43.5809 176.2140 110 V 4.0708 8.7736 124.6654 61.9743 31.9667 176.2878 111 S 2.7900 9.1092 124.2383 61.0503 62.2259 176.5780 112 L 3.9400 7.6689 117.8503 57.2367 41.3091 177.7466 113 T 4.1796 7.6301 107.5649 61.1265 69.1230 175.4585 114 G 4.0898 8.0000 110.2165 46.6914 0.0000 173.5959 115 Y 3.6872 7.3005 113.5353 58.7612 35.9974 171.4440 116 R 4.2401 7.6365 120.8103 57.8881 30.8321 176.8391 117 L 4.8183 7.9530 116.5133 52.7712 45.0548 176.0564 118 W 5.5209 8.4805 120.7145 55.7676 31.9090 174.9571 119 N 5.5958 9.0231 120.0824 52.2370 42.3191 172.9969 120 D 5.3707 8.8186 125.4061 53.2112 40.8277 175.1413 121 Q 4.7596 9.9602 123.1311 53.8396 33.8116 174.2840 122 V 4.2772 8.8192 122.4103 62.6437 32.0575 176.5859 123 C 4.3068 9.0141 124.6806 59.9549 40.2371 174.8879 124 E 4.3533 8.1986 116.4091 56.9293 29.7575 176.7545 125 S 4.5788 8.4653 116.3983 58.5798 64.4687 173.1429 126 K 5.2422 8.5959 121.3063 55.3253 33.4255 175.5584 127 D 4.8633 8.8932 123.4296 52.1509 45.9167 174.9970 128 A 5.5181 8.6410 122.3482 51.2299 20.6065 176.1191 129 F 5.4475 8.2880 111.6323 55.7634 42.0388 173.6375 130 L 5.0644 8.8863 122.3611 53.9540 43.5176 174.7659 131 C 5.3981 9.2476 124.7581 56.2292 43.7408 172.7401 132 Q 4.9815 9.3965 122.5648 54.7469 31.9296 173.4741 133 C 5.3545 9.4270 122.6936 55.2364 45.3550 172.8455 134 K 4.7702 7.8255 119.1266 54.7728 33.3720 176.8349 135 F 4.1361 8.7291 122.8684 57.4893 39.1484 175.6405 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 N 8.42 4.70 0.00 2.66 2.76 0.00 0.00 6.97 7.11 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 2 N 8.59 4.35 0.00 2.75 2.84 0.00 0.00 6.73 6.78 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 3 C 8.30 4.50 0.00 2.77 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 4 P 0.00 4.34 0.00 2.05 1.81 0.00 2.54 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.22 0.00 5 L 8.50 4.00 0.00 1.64 1.75 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.15 4.80 0.00 2.68 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 7 W 7.86 4.63 0.00 3.07 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 8 L 8.75 4.17 0.00 0.73 1.21 0.71 0.77 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 9 P 0.00 4.96 0.00 1.96 1.95 0.00 3.65 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 1.98 2.03 0.00 10 M 9.72 4.45 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 11 N 10.01 4.17 0.00 2.86 2.81 0.00 0.00 7.27 7.65 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 12 G 8.23 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 13 L 7.85 4.85 0.00 1.61 1.12 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 14 C 8.63 5.58 0.00 3.02 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 15 Y 9.18 5.58 0.00 2.77 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 16 K 8.81 4.48 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.30 0.48 7.81 17 I 8.35 4.27 1.51 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.32 0.62 0.00 0.00 18 F 8.68 4.00 0.00 1.51 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 0.00 0.00 0.00 0.00 19 N 8.03 4.95 0.00 2.62 2.75 0.00 0.00 6.94 7.69 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 20 Q 7.26 4.71 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 21 L 8.61 5.10 0.00 1.59 1.68 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 22 K 9.26 4.94 0.00 1.58 1.57 0.00 0.90 0.00 0.00 1.48 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.47 7.81 23 T 8.45 5.46 4.51 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 1.42 0.00 0.00 24 W 8.64 2.76 0.00 1.78 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 25 E 8.21 3.79 0.00 2.14 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 2.49 2.75 0.00 26 D 7.93 4.27 0.00 2.63 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 27 A 7.76 2.88 0.72 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 28 E 7.36 3.49 0.00 1.49 1.60 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 1.47 2.02 0.00 29 M 7.81 3.96 0.00 2.02 2.13 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 2.63 0.00 30 F 7.96 3.89 0.00 2.96 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 31 C 8.22 4.61 0.00 3.23 3.24 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 32 R 7.85 3.99 0.00 1.81 1.92 0.00 2.99 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 33 K 7.93 4.16 0.00 1.57 1.72 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.62 1.50 7.81 34 Y 7.69 4.03 0.00 2.93 3.14 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 35 K 6.95 4.39 0.00 1.56 1.35 0.00 0.79 0.00 0.00 0.61 0.00 0.00 2.66 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.02 1.14 7.81 36 P 0.00 4.06 0.00 1.95 1.95 0.00 3.47 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 37 G 9.10 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 38 C 7.68 5.39 0.00 2.97 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 39 H 8.86 4.81 0.00 3.16 3.31 0.00 5.82 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 10.20 4.72 0.00 1.67 1.76 0.26 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 41 A 9.26 4.63 1.51 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 0.00 0.00 42 S 9.09 3.41 0.00 2.72 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 43 F 6.47 4.78 0.00 3.44 3.33 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 44 H 9.58 5.11 0.00 3.01 3.32 0.00 5.64 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 6.96 4.31 0.00 1.65 1.67 0.00 3.12 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 46 Y 7.99 4.52 0.00 3.21 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 G 8.21 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 0.00 0.00 0.00 48 E 7.86 3.86 0.00 2.06 1.71 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 2.25 2.27 0.00 49 S 7.86 4.45 0.00 3.89 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 50 L 7.62 3.94 0.00 1.78 1.67 0.98 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.30 3.93 0.00 2.07 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 2.23 2.33 0.00 52 I 8.25 3.79 2.18 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.30 1.15 0.00 0.00 53 A 8.55 4.15 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 54 E 8.28 3.93 0.00 2.21 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 2.38 2.36 0.00 55 Y 8.17 4.31 0.00 3.01 3.18 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 56 I 7.99 3.06 1.62 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 1.14 0.80 -0.33 0.00 0.00 57 S 7.87 4.18 0.00 4.05 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 58 D 8.16 4.42 0.00 2.89 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 0.00 0.00 0.00 0.00 59 Y 7.80 4.63 0.00 2.39 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 60 H 7.97 4.46 0.00 2.79 3.05 0.00 5.94 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.09 4.14 0.00 1.80 1.70 0.00 1.35 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.38 7.81 62 G 8.66 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 63 Q 8.11 4.86 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.89 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 64 E 8.11 4.25 0.00 1.96 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 0.00 2.33 2.31 0.00 65 N 8.65 4.85 0.00 2.54 2.85 0.00 0.00 6.51 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 66 V 8.33 4.83 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 1.03 0.00 0.00 0.75 0.00 0.00 67 W 9.44 5.52 0.00 3.48 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 68 I 9.15 5.23 2.40 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.02 1.15 0.00 0.00 69 G 9.51 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 4.90 0.00 0.51 1.11 -0.16 -0.05 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 71 R 8.88 4.88 0.00 0.88 1.46 0.00 3.01 0.00 0.00 3.01 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.99 0.00 72 D 8.49 4.67 0.00 1.58 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 0.00 0.00 0.00 73 K 7.97 3.70 0.00 1.62 1.69 0.00 1.80 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.32 7.81 74 K 7.59 3.82 0.00 1.61 1.78 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.34 7.81 75 K 7.59 3.62 0.00 1.50 1.39 0.00 1.18 0.00 0.00 0.88 0.00 0.00 2.65 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.69 7.81 76 D 7.37 4.85 0.00 2.74 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.89 3.17 0.00 3.18 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 78 S 7.74 4.62 0.00 3.82 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.34 4.79 0.00 3.29 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 80 E 9.29 4.82 0.00 1.87 1.86 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 2.29 2.30 0.00 81 W 8.71 5.43 0.00 3.49 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 82 T 9.19 4.09 4.49 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 1.59 0.00 0.00 83 D 8.29 4.16 0.00 2.78 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 84 R 8.15 3.97 0.00 2.06 2.14 0.00 3.21 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 85 S 8.49 4.46 0.00 3.95 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 86 C 8.44 4.47 0.00 3.08 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 87 T 8.60 4.91 4.44 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 1.40 0.00 0.00 88 D 8.69 5.14 0.00 2.91 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 89 Y 7.92 4.78 0.00 3.29 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 90 L 7.43 4.23 0.00 1.29 0.93 1.10 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 91 T 5.79 3.97 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 -0.41 0.00 0.00 92 W 7.02 4.70 0.00 3.07 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 93 D 9.52 4.65 0.00 2.85 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.56 3.86 0.00 1.78 1.71 0.00 1.93 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.48 7.81 95 N 8.95 4.24 0.00 2.86 2.84 0.00 0.00 6.94 7.69 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 96 Q 7.63 4.56 0.00 2.18 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 97 P 0.00 4.24 0.00 2.06 0.49 0.00 2.91 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 1.82 0.96 0.00 98 D 8.68 4.83 0.00 2.79 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 99 H 9.74 4.08 0.00 3.28 3.19 0.00 5.67 0.00 0.00 0.00 0.00 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 8.39 4.51 0.00 3.09 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 0.00 101 Q 9.24 3.19 0.00 1.85 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.68 0.00 0.00 0.00 0.00 0.00 1.69 1.16 0.00 102 N 8.49 4.15 0.00 2.80 2.92 0.00 0.00 6.55 7.25 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 0.00 103 K 7.74 4.33 0.00 1.72 1.59 0.00 1.50 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.39 7.81 104 E 7.27 4.60 0.00 1.82 1.81 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 2.29 2.47 0.00 105 F 8.36 5.07 0.00 2.84 2.85 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 0.00 106 C 8.34 4.93 0.00 2.50 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 0.00 0.00 0.00 107 V 8.45 5.25 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 0.72 0.00 0.00 0.99 0.00 0.00 108 E 9.17 5.41 0.00 2.02 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 2.46 2.28 0.00 109 L 9.22 4.81 0.00 1.82 1.86 1.16 0.92 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 0.00 110 V 8.77 4.07 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 0.90 0.00 0.00 1.01 0.00 0.00 111 S 9.11 2.79 0.00 3.80 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 0.00 112 L 7.67 3.94 0.00 1.58 1.65 0.87 0.77 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 0.00 113 T 7.63 4.18 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 1.19 0.00 0.00 114 G 8.00 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 7.30 3.69 0.00 3.20 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 0.00 116 R 7.64 4.24 0.00 1.89 1.93 0.00 3.09 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 117 L 7.95 4.82 0.00 1.56 1.56 0.93 0.67 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 0.00 118 W 8.48 5.52 0.00 2.80 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.02 5.60 0.00 2.92 2.69 0.00 0.00 7.19 8.51 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 0.00 120 D 8.82 5.37 0.00 2.99 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 0.00 121 Q 9.96 4.76 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 122 V 8.82 4.28 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 1.31 0.00 0.00 0.97 0.00 0.00 123 C 9.01 4.31 0.00 3.04 3.09 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 0.00 0.00 0.00 0.00 124 E 8.20 4.35 0.00 2.05 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 0.00 2.37 2.33 0.00 125 S 8.47 4.58 0.00 4.04 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 0.00 126 K 8.60 5.24 0.00 1.69 1.84 0.00 1.81 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.46 7.81 127 D 8.89 4.86 0.00 1.58 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 0.00 0.00 0.00 0.00 128 A 8.64 5.52 1.14 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 0.00 0.00 129 F 8.29 5.45 0.00 3.24 3.30 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 0.00 130 L 8.89 5.06 0.00 2.10 1.82 1.14 1.03 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 0.00 131 C 9.25 5.40 0.00 3.22 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 0.00 132 Q 9.40 4.98 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.08 1.75 0.00 133 C 9.43 5.35 0.00 2.44 2.23 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 0.00 134 K 7.83 4.77 0.00 1.53 1.64 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.69 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.30 7.81 135 F 8.73 4.14 0.00 2.82 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