NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.5956 8.2833 118.2115 52.8042 38.5003 175.6184 *4 I 4.0504 8.6480 117.1802 61.3690 39.2256 177.2695 5 D 4.5038 8.0025 119.6028 57.3120 40.7910 178.8119 6 Q 3.7185 7.5299 116.5814 58.1133 28.7537 177.4918 7 L 3.9502 7.0076 117.8788 55.8776 42.2054 176.5037 8 N 3.9798 7.3791 115.3417 54.3201 37.0127 173.2529 9 I 4.3815 7.4301 118.5801 60.3616 38.5003 175.8980 10 T 4.6466 8.7663 115.8320 60.2961 71.2654 173.2803 11 D 4.5762 8.7273 118.4349 55.1429 38.5114 173.9234 12 F 4.7196 8.3742 120.9750 58.4541 40.3020 174.3453 13 Q 4.4723 8.4689 124.1763 54.7339 31.9856 173.6249 14 V 4.9283 8.3529 124.0107 59.7488 33.3188 175.0811 15 F 5.1243 9.1218 119.7778 55.5574 41.7310 173.4557 16 T 4.4758 8.5633 118.2059 62.9499 68.4257 174.6053 17 D 4.4542 8.5966 127.1236 56.5609 41.6896 176.4135 *26 K 4.0783 7.7180 116.8179 56.3858 34.1746 176.0199 27 I 4.0926 7.9574 116.6990 60.1217 38.7637 174.1869 28 Y 4.6145 8.3507 125.7674 57.6585 39.3197 175.0524 29 K 5.3542 9.0934 122.1145 54.8005 37.1164 175.1687 30 F 5.3215 8.5828 116.5240 55.4504 41.9721 173.3974 31 S 5.2945 8.9777 113.4138 57.3922 66.2376 172.6778 32 S 4.9409 8.8456 117.9825 58.0255 66.6981 173.4907 33 K 5.6076 8.8111 120.5601 54.6443 35.5739 174.8604 *35 I 4.2996 8.2560 122.7108 62.3158 38.3374 175.1932 36 L 4.4757 8.9774 127.9595 53.4207 43.2464 176.2299 37 S 4.9747 8.4957 118.1113 56.6065 66.2464 173.7428 38 D 4.4103 8.8263 118.1649 57.7326 40.8220 178.2856 39 F 3.9637 8.5396 120.2929 61.6407 39.3511 175.6046 40 H 4.5168 8.4736 114.8305 56.1990 29.0958 174.7450 41 A 4.7334 7.7520 123.8204 51.3093 19.4256 177.4402 42 Q 4.4437 8.5732 120.8460 53.9988 30.5210 175.0877 43 P 4.2320 0.0000 0.0000 65.9328 31.2193 178.0652 44 Q 4.0739 8.0446 114.3686 56.8774 29.1498 176.7714 45 G 3.8251 8.3617 107.0203 44.7404 0.0000 173.3858 46 F 5.1132 8.7050 119.1502 55.5866 41.4489 175.0096 47 L 4.4115 9.1372 123.6558 55.5439 42.4289 176.2898 48 N 4.3971 9.5142 126.3189 53.3714 39.5932 176.0406 49 G 3.6278 9.0338 113.1650 47.8756 0.0000 175.7677 50 G 3.6745 8.3304 107.2085 47.6046 0.0000 175.4093 51 A 4.0894 7.8409 123.0370 55.2306 18.5632 179.9751 52 S 4.1522 7.9861 113.1797 61.5712 62.9446 176.7752 53 L 4.0189 8.2305 121.6192 57.6751 41.3780 179.3382 54 A 3.9600 8.0614 120.6814 55.0598 18.3737 179.1949 55 L 3.8698 8.1381 118.7047 58.4339 42.0979 179.2192 56 A 4.0736 7.9389 120.0749 55.1930 18.3800 179.2522 57 E 3.8662 8.3242 117.9315 59.3206 29.4448 179.1307 58 I 3.5101 7.6029 119.1963 64.6321 37.3616 178.3493 59 T 3.3217 7.5497 108.9483 64.3746 68.7369 175.9827 60 A 3.3163 7.6895 123.9222 54.3800 18.2883 179.9741 61 G 3.4414 7.5226 100.8319 45.5646 0.0000 175.1943 *63 A 4.4117 7.9420 125.7011 52.0315 20.7272 180.1838 64 S 4.6066 8.2778 111.9056 62.0855 63.0331 176.6916 65 N 4.4091 8.3442 118.9523 56.3180 38.0496 177.3766 66 A 4.1117 7.9985 120.7957 54.9705 18.5935 179.2641 67 I 3.9001 7.4645 117.8503 64.2524 37.5259 178.4619 68 G 2.8541 7.9262 106.5732 45.4118 0.0000 173.7159 69 S 3.6431 8.7994 113.3522 58.9675 61.9245 172.0811 70 G 3.9576 7.8712 106.7289 46.6041 0.0000 174.3207 71 Q 4.0448 7.0126 116.7297 58.5437 28.9236 175.7276 72 Y 4.8332 6.6423 112.6138 55.8094 40.6606 173.4528 73 F 5.4817 8.3840 119.5965 56.4331 41.3145 174.8460 74 A 5.0797 9.3633 124.9258 51.2123 20.2557 176.8571 75 F 4.4312 9.2382 123.8218 55.9650 42.6052 174.1529 76 G 3.9775 8.6443 113.5561 47.7005 0.0000 171.3105 77 Q 4.8712 9.4131 125.9921 57.2546 31.0069 175.6316 78 S 4.8452 7.8144 111.3264 57.0471 66.8079 172.6121 79 I 5.1298 8.1734 120.2753 59.6746 41.1996 173.4182 80 N 5.1897 9.5071 127.0457 51.8009 42.1441 172.7806 81 A 5.1876 8.5700 125.8181 50.2936 23.0200 174.8201 82 N 4.8098 8.8996 118.0975 51.6693 41.6811 173.6778 83 H 4.6941 8.7448 122.0822 55.5972 28.7786 175.0880 84 L 4.4079 8.9345 124.4688 56.3247 42.4645 177.4799 85 N 4.9828 7.8103 113.3785 50.5122 42.1746 172.4171 86 P 4.1513 0.0000 0.0000 62.0900 32.1745 175.4717 87 K 4.6288 8.3681 123.8361 54.1166 34.4064 174.9943 88 K 4.1448 8.9293 129.4874 56.7598 32.7822 177.3499 89 C 4.7210 8.4290 128.8738 58.5341 28.8955 172.0107 90 E 4.7331 8.2906 118.7626 55.4821 33.4532 179.1106 91 G 3.8974 8.5847 110.2326 46.5938 0.0000 175.8885 92 F 5.2819 8.5192 117.6052 55.3490 40.8895 172.6261 93 V 4.7235 8.5951 111.8405 59.7707 35.6476 174.0935 94 N 5.3015 9.6242 120.3765 51.7491 41.1284 173.9208 95 A 5.1165 9.1162 126.1020 50.6672 21.0287 175.2908 96 R 4.6809 8.9559 121.6796 55.0388 32.8653 176.0501 97 G 3.7763 8.0303 110.6738 43.9082 0.0000 171.5469 98 L 5.2235 9.1635 124.0891 52.7545 45.4568 175.1561 99 L 3.7743 8.4792 129.0589 54.4424 41.4762 176.3506 100 L 4.1589 8.8201 128.3844 56.8662 42.7000 177.8900 101 K 4.2877 7.6222 119.6348 54.3845 35.1786 175.7836 102 N 4.4736 8.6295 128.0740 52.0139 37.4789 173.5857 103 G 3.9599 8.0984 111.4438 43.6136 0.0000 171.8311 104 K 4.0294 8.5328 119.7335 58.9768 32.4427 177.8305 105 R 4.3127 7.8190 116.3116 56.9178 31.4921 175.4790 106 N 5.5520 7.6914 113.4014 51.7290 43.4979 172.9737 107 H 5.3278 8.9899 117.8652 54.0227 32.4212 173.2683 108 V 4.7390 8.1175 121.8762 61.0795 33.9905 174.0212 109 W 5.2311 9.3895 129.1393 55.0355 31.5585 174.8242 110 E 4.7647 9.4617 127.1345 55.2776 30.7216 174.7751 111 I 5.0502 9.2300 128.0599 59.4536 40.7561 174.4837 112 K 4.9333 9.2558 126.7310 54.7318 34.7307 175.1800 113 I 4.9635 9.2266 127.1047 60.0241 38.8952 174.8951 114 T 5.1707 8.9842 118.0057 59.8766 72.3675 174.4814 115 D 4.5777 8.3459 122.9748 52.3291 41.6253 176.5428 116 E 3.8548 8.2519 115.7205 59.1298 29.6582 177.0523 117 N 4.6131 8.1942 115.1049 52.6264 38.7473 174.6199 118 E 3.8255 7.9936 116.3708 57.4934 27.8094 174.4200 119 T 4.0246 8.1812 116.6949 62.8287 68.9564 173.9499 120 L 4.2779 8.4608 128.6688 55.4174 42.4657 176.0802 121 I 4.2017 9.2017 128.1479 63.5414 38.5901 176.3707 122 S 5.0918 7.8533 116.1726 56.9495 67.7423 172.6176 123 Q 5.0297 8.6826 124.2540 54.4941 31.4319 174.3375 124 I 5.1876 9.2103 126.5315 59.9951 41.7609 174.0829 125 T 5.1472 9.2183 123.7742 61.7911 71.1559 173.3636 126 V 4.7949 8.8901 126.4798 61.1073 34.5029 174.1793 127 V 4.7821 8.8886 128.7839 61.7876 33.1556 174.0371 128 N 5.4432 9.2620 126.2021 51.7579 40.7057 174.5297 129 A 4.5233 9.3687 125.9933 51.7899 20.1901 176.5054 130 L 4.6745 8.5026 122.0574 53.2721 42.6779 177.2698 131 V 4.0266 8.4359 117.2900 61.2931 31.8639 176.4060 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 2 N 8.28 4.60 0.00 2.87 2.13 0.00 0.00 6.10 6.40 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 *4 I 8.65 4.05 1.80 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 1.34 0.78 0.81 0.00 0.00 5 D 8.00 4.50 0.00 2.76 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 6 Q 7.53 3.72 0.00 1.27 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.96 0.00 0.00 0.00 0.00 0.00 2.10 2.29 0.00 7 L 7.01 3.95 0.00 1.96 1.78 1.17 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 8 N 7.38 3.98 0.00 2.81 2.82 0.00 0.00 7.19 7.26 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 9 I 7.43 4.38 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.67 0.97 0.00 0.00 10 T 8.77 4.65 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 11 D 8.73 4.58 0.00 2.83 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 12 F 8.37 4.72 0.00 3.01 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 13 Q 8.47 4.47 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 14 V 8.35 4.93 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 0.85 0.00 0.00 1.13 0.00 0.00 15 F 9.12 5.12 0.00 3.04 3.13 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 16 T 8.56 4.48 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 1.01 0.00 0.00 17 D 8.60 4.45 0.00 2.77 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 *26 K 7.72 4.08 0.00 1.54 1.71 0.00 1.60 0.00 0.00 1.37 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.15 7.81 27 I 7.96 4.09 1.81 0.00 0.00 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 1.28 0.53 0.86 0.00 0.00 28 Y 8.35 4.61 0.00 2.83 3.01 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 0.00 29 K 9.09 5.35 0.00 0.94 1.02 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.27 7.81 30 F 8.58 5.32 0.00 2.76 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 31 S 8.98 5.29 0.00 4.06 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 32 S 8.85 4.94 0.00 4.14 4.36 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 33 K 8.81 5.61 0.00 1.62 1.68 0.00 1.25 0.00 0.00 0.96 0.00 0.00 2.33 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.15 7.81 *35 I 8.26 4.30 2.07 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.75 0.96 0.00 0.00 36 L 8.98 4.48 0.00 1.58 1.59 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.50 4.97 0.00 4.03 4.04 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 38 D 8.83 4.41 0.00 2.79 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 39 F 8.54 3.96 0.00 2.93 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 40 H 8.47 4.52 0.00 3.34 3.39 0.00 5.66 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 41 A 7.75 4.73 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 42 Q 8.57 4.44 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.69 0.00 43 P 0.00 4.23 0.00 2.07 2.16 0.00 3.69 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 2.03 2.11 0.00 44 Q 8.04 4.07 0.00 2.35 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.62 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 45 G 8.36 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 0.00 0.00 0.00 46 F 8.71 5.11 0.00 3.10 2.99 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 47 L 9.14 4.41 0.00 1.66 1.78 1.04 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 48 N 9.51 4.40 0.00 2.91 2.69 0.00 0.00 6.72 8.09 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 49 G 9.03 3.63 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 0.00 0.00 0.00 50 G 8.33 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 51 A 7.84 4.09 1.45 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 52 S 7.99 4.15 0.00 4.11 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 53 L 8.23 4.02 0.00 1.96 1.74 1.01 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.06 3.96 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 55 L 8.14 3.87 0.00 1.92 1.94 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.94 4.07 1.46 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 57 E 8.32 3.87 0.00 2.03 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 2.20 2.28 0.00 58 I 7.60 3.51 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.84 0.71 0.00 0.00 59 T 7.55 3.32 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 1.16 0.00 0.00 60 A 7.69 3.32 1.28 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 0.00 0.00 61 G 7.52 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 0.00 0.00 0.00 *63 A 7.94 4.41 0.73 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 64 S 8.28 4.61 0.00 4.17 4.21 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 65 N 8.34 4.41 0.00 2.88 2.95 0.00 0.00 6.95 8.15 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 66 A 8.00 4.11 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 67 I 7.46 3.90 2.02 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.76 0.42 0.00 0.00 68 G 7.93 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 0.00 0.00 0.00 69 S 8.80 3.64 0.00 4.12 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 70 G 7.87 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 71 Q 7.01 4.04 0.00 1.83 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 72 Y 6.64 4.83 0.00 3.05 2.86 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 73 F 8.38 5.48 0.00 3.12 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 74 A 9.36 5.08 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.24 4.43 0.00 3.11 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 76 G 8.64 3.98 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 0.00 0.00 0.00 77 Q 9.41 4.87 0.00 2.09 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.61 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 78 S 7.81 4.85 0.00 3.91 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 79 I 8.17 5.13 1.90 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 1.25 1.04 0.93 0.00 0.00 80 N 9.51 5.19 0.00 2.83 2.60 0.00 0.00 6.61 7.90 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 81 A 8.57 5.19 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 82 N 8.90 4.81 0.00 2.68 2.69 0.00 0.00 6.96 7.77 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 83 H 8.74 4.69 0.00 3.03 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.93 4.41 0.00 1.64 1.70 0.97 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 85 N 7.81 4.98 0.00 2.72 2.63 0.00 0.00 6.93 8.02 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 86 P 0.00 4.15 0.00 1.42 0.97 0.00 3.52 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 87 K 8.37 4.63 0.00 1.87 1.69 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.50 7.81 88 K 8.93 4.14 0.00 1.75 1.73 0.00 1.73 0.00 0.00 1.38 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.46 7.81 89 C 8.43 4.72 0.00 3.20 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 90 E 8.29 4.73 0.00 2.06 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 2.38 2.27 0.00 91 G 8.58 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 92 F 8.52 5.28 0.00 2.97 2.99 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 93 V 8.60 4.72 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 0.86 0.00 0.00 1.01 0.00 0.00 94 N 9.62 5.30 0.00 2.77 2.81 0.00 0.00 7.01 8.33 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 95 A 9.12 5.12 1.42 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 0.00 0.00 0.00 96 R 8.96 4.68 0.00 1.69 1.74 0.00 3.09 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 97 G 8.03 3.78 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 0.00 0.00 0.00 98 L 9.16 5.22 0.00 1.68 1.50 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.48 3.77 0.00 0.27 1.27 -0.18 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.82 4.16 0.00 1.52 1.65 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.62 4.29 0.00 1.71 1.52 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.35 7.81 102 N 8.63 4.47 0.00 2.61 2.69 0.00 0.00 7.14 7.98 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 0.00 103 G 8.10 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 0.00 104 K 8.53 4.03 0.00 1.71 1.81 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.43 7.81 105 R 7.82 4.31 0.00 1.87 1.90 0.00 3.09 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 106 N 7.69 5.55 0.00 2.64 2.64 0.00 0.00 6.96 8.16 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 0.00 107 H 8.99 5.33 0.00 3.16 3.04 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.12 4.74 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 0.86 0.00 0.00 0.92 0.00 0.00 109 W 9.39 5.23 0.00 3.41 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 E 9.46 4.76 0.00 2.05 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 2.29 2.31 0.00 111 I 9.23 5.05 2.07 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 1.41 0.80 1.06 0.00 0.00 112 K 9.26 4.93 0.00 1.63 1.71 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.39 7.81 113 I 9.23 4.96 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.04 0.97 0.00 0.00 114 T 8.98 5.17 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 0.00 115 D 8.35 4.58 0.00 2.83 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 0.00 116 E 8.25 3.85 0.00 1.93 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 2.09 2.06 0.00 117 N 8.19 4.61 0.00 2.82 2.87 0.00 0.00 6.96 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 0.00 118 E 7.99 3.83 0.00 2.15 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 0.00 2.26 2.43 0.00 119 T 8.18 4.02 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 1.20 0.00 0.00 120 L 8.46 4.28 0.00 1.59 1.60 1.05 1.08 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 0.00 121 I 9.20 4.20 1.99 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 1.37 0.84 1.00 0.00 0.00 122 S 7.85 5.09 0.00 3.77 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 0.00 123 Q 8.68 5.03 0.00 2.19 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 124 I 9.21 5.19 1.94 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 1.24 0.58 0.98 0.00 0.00 125 T 9.22 5.15 4.28 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 1.32 0.00 0.00 126 V 8.89 4.79 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 1.06 0.00 0.00 1.02 0.00 0.00 127 V 8.89 4.78 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 0.97 0.00 0.00 128 N 9.26 5.44 0.00 2.84 2.83 0.00 0.00 6.47 6.99 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 0.00 129 A 9.37 4.52 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 4.67 0.00 1.31 1.15 0.66 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 131 V 8.44 4.03 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 0.70 0.00 0.00 1.16 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.