NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9208 8.3549 109.7186 45.2089 0.0000 174.9319 2 Q 3.6805 7.0102 120.5176 56.4003 28.6590 175.1580 3 F 5.1171 6.6558 108.3829 56.1264 42.0907 172.8033 4 R 4.9326 9.3509 116.2907 54.4717 32.8866 174.4675 5 V 4.8140 8.3865 118.8158 61.1848 34.0004 174.6303 6 I 4.5537 8.9395 128.0073 59.8134 40.9049 175.7612 7 G 4.5353 8.3939 115.8705 43.7485 0.0000 171.2777 8 P 4.2175 0.0000 0.0000 63.9842 31.6442 177.5423 9 G 4.0282 9.2862 106.8559 45.3926 0.0000 172.4713 10 H 4.9962 7.1905 112.7091 52.9427 31.6381 171.2643 11 P 4.7041 0.0000 0.0000 62.9732 32.1831 175.9223 12 I 4.3641 8.8355 124.4305 60.5011 38.8450 174.9299 13 R 5.2149 8.5797 124.6465 54.5839 32.4928 175.2101 14 A 4.7524 8.8989 123.3841 50.5159 23.2605 175.0821 15 L 4.9566 8.9043 119.6358 52.9585 44.0822 176.8824 16 V 3.6859 8.1997 122.5882 64.6675 31.7560 176.1918 17 G 3.9680 9.0387 116.2942 45.3700 0.0000 173.1676 18 D 4.7080 8.1289 119.7714 54.1289 42.5409 174.9968 19 E 5.0511 8.5428 118.3099 55.0986 31.6849 175.8682 20 A 4.6777 8.8187 123.6979 50.1777 22.5459 174.6981 21 E 4.8818 8.7632 121.3268 54.4747 31.8647 175.3307 22 L 4.6614 8.5704 125.6466 52.3319 43.7478 174.1113 23 P 5.4188 0.0000 0.0000 62.1748 34.1191 175.0508 24 C 5.3714 9.0051 119.8988 55.8211 45.3803 172.8043 25 R 5.2455 9.0326 121.3370 54.5710 32.9577 173.9193 26 I 4.3066 7.6631 114.2530 59.9116 39.4991 175.0692 27 S 4.6639 8.8948 118.4835 55.9656 65.4280 171.9797 28 P 4.6278 0.0000 0.0000 62.0275 31.9018 176.2920 29 G 3.8345 8.3516 108.5365 46.6465 0.0000 172.6547 30 K 4.5283 8.0495 121.2403 55.3763 35.6000 174.3223 31 N 4.5062 9.1090 119.2902 53.4855 38.9062 174.1135 32 A 4.7554 8.8916 128.0489 52.1579 19.7849 177.9728 33 T 4.1050 8.4981 115.9141 66.8222 68.9541 175.2555 34 G 3.8923 7.2991 111.1743 44.8440 0.0000 173.5233 *36 E 4.2651 7.7829 119.0050 55.8590 31.8046 174.9637 37 V 4.1675 9.0208 126.4968 60.9266 34.6940 174.4656 38 G 4.2266 7.0731 113.4314 44.3381 0.0000 170.9626 39 W 5.6250 9.4235 119.6029 54.9120 33.0645 174.4762 40 Y 5.4876 9.0259 121.4821 55.4223 41.7262 174.1750 41 R 4.2280 9.0398 119.9392 56.0689 31.1351 177.5990 42 S 4.5583 8.4799 123.3764 57.6231 62.0441 174.4473 *45 S 4.2170 8.1134 119.5861 56.8929 63.9866 173.3964 46 R 3.9438 8.3946 117.6046 57.9581 30.2381 176.2920 47 V 4.3107 8.4547 123.3849 62.8674 31.9257 176.5053 48 V 3.5690 9.0697 129.7654 65.8498 32.1186 175.8056 49 H 4.8148 7.9590 117.3386 55.0885 33.3550 172.1272 50 L 5.1991 8.2548 125.6918 53.6083 45.7360 173.8581 51 Y 5.1883 9.0676 127.3017 55.9622 41.8993 174.1090 52 R 4.1623 8.6032 124.5494 55.5576 34.3249 173.9000 53 N 4.3164 9.4886 119.1806 54.4718 36.1482 175.4976 54 G 4.0776 9.1585 103.1394 45.2756 0.0000 173.5630 55 K 4.7015 6.9963 116.8430 55.2947 35.5421 174.9473 56 D 4.9490 8.7514 120.2489 54.9530 41.5536 177.2455 57 Q 4.4655 9.0844 123.8504 54.0233 27.6862 175.9495 58 D 4.3321 8.3743 122.7880 57.0968 41.2759 178.6595 59 A 4.2107 7.9627 119.6857 53.8824 18.5305 177.4036 60 E 4.5185 7.9385 113.8591 55.8896 30.5167 175.9468 61 Q 4.5934 7.5498 116.7285 54.1721 30.1684 175.1844 62 A 4.6899 8.9631 122.9227 51.5994 19.3210 177.2245 63 P 4.1675 0.0000 0.0000 65.5147 31.5425 178.6700 64 E 4.1276 8.1947 113.2707 57.8449 29.6319 176.4785 65 Y 4.7090 7.5245 115.9836 57.4402 39.6748 175.6676 66 R 4.7247 7.1412 119.9489 57.0542 30.4146 176.9078 67 G 3.9343 9.0165 109.6197 46.2020 0.0000 173.4283 68 R 4.9720 8.4763 117.8175 54.7532 31.6800 174.6867 69 T 5.2964 7.9308 106.0330 60.5823 72.3205 172.8325 70 E 4.7225 8.8417 120.7429 54.7081 34.6246 174.1037 71 L 4.7978 8.1710 124.0572 53.0835 44.1211 175.8039 72 L 4.1488 9.0228 128.1812 54.4088 42.4570 177.7219 73 K 4.4169 8.4604 122.3250 55.8073 32.8815 177.6050 74 E 3.8555 8.2945 121.6066 58.8956 29.5992 177.7307 75 S 4.7315 7.7944 112.4542 58.1185 63.5094 175.6588 76 I 3.8957 7.3234 123.7047 63.1726 37.8469 178.0774 77 G 3.7113 8.1280 108.3669 47.3097 0.0000 174.1949 78 E 4.4458 8.2780 118.2614 55.8839 30.1425 176.5954 79 G 3.8147 8.1891 107.2841 45.3036 0.0000 172.6389 80 K 5.1414 7.8326 117.9095 54.4823 35.6360 175.6192 81 V 4.7494 9.0240 115.8591 59.9903 37.0324 173.9502 82 A 5.1913 8.3705 122.8888 50.3252 22.8229 175.0186 83 L 4.1418 8.4280 125.1718 54.1060 43.5628 175.2475 84 R 4.8057 8.8317 127.3194 54.6845 32.2365 174.4018 85 I 4.8491 8.5133 128.0177 59.8858 38.9441 175.1407 86 Q 4.4635 9.0554 126.3762 54.8857 30.6549 175.1602 87 N 4.1952 8.4751 117.1039 54.0651 36.1318 175.0849 88 V 3.8729 8.0216 118.7437 63.2705 32.8517 174.8500 89 R 4.8348 8.9935 121.5537 54.0508 32.9924 175.9677 90 F 4.5153 8.6186 116.3050 60.7345 38.9141 178.0972 91 S 4.3184 8.1416 113.6726 60.7370 62.9091 174.8298 92 D 4.7547 8.0685 120.1138 55.8175 40.9994 176.5148 93 E 4.3236 7.9974 120.6660 57.0783 30.8474 175.4462 94 G 3.9761 8.8210 109.7989 44.2674 0.0000 172.9211 95 G 4.3625 8.7064 107.9485 45.9152 0.0000 172.6287 96 Y 5.2926 9.2750 119.3530 56.2688 43.0380 174.3803 97 T 4.8266 8.9475 118.2576 61.8940 71.9391 172.0978 98 C 4.3970 8.5877 126.8642 54.3682 46.9118 172.4065 99 F 5.6272 8.3633 119.9268 55.2096 41.7679 173.3304 100 F 5.2564 9.4430 118.4644 55.7885 42.3725 173.9758 101 R 5.2181 9.5455 124.1333 54.7665 32.7219 174.5166 102 D 4.9655 9.7076 126.7997 53.3550 42.7669 177.1936 103 H 4.0895 8.4571 127.8019 57.0851 27.0088 177.1693 104 S 4.5132 9.2755 123.9205 59.4434 63.7375 172.8391 105 Y 4.5212 8.0702 124.1817 56.1367 39.7173 173.9804 106 Q 4.9958 7.4634 126.6554 54.4754 32.5774 173.2117 107 E 4.9147 8.9776 122.7031 54.8777 34.4413 173.9116 108 E 5.3043 9.1550 118.4050 55.5551 33.2872 173.9473 109 A 4.7873 8.9351 120.2089 50.5192 23.1742 174.8174 110 A 5.0349 8.4985 121.0917 50.5793 20.9241 176.9631 111 V 4.5459 9.0055 121.2021 61.0805 35.4808 173.6944 112 E 5.3233 8.9251 127.3276 54.3501 32.7616 173.8235 113 L 5.2371 9.1624 128.2132 53.2805 44.9765 174.8996 114 K 5.0129 9.3401 125.8675 54.6807 34.7835 175.3401 115 V 4.9268 9.1126 124.0839 61.0532 34.1914 174.1824 116 E 4.8192 9.0659 128.1870 54.4283 32.7436 174.0205 117 D 5.0100 8.8768 126.7980 52.1360 41.3339 174.3805 118 P 4.5255 0.0000 0.0000 64.4444 31.9819 176.6726 119 F 4.1614 8.3309 119.7425 56.5313 39.4873 176.9251 120 Y 4.2890 8.0605 120.5897 59.4116 37.8536 176.8757 121 W 4.5973 6.8290 115.4172 56.4934 28.8764 176.2087 122 I 4.0220 6.9524 113.1245 60.8228 38.5223 174.8418 123 N 4.1030 8.5022 116.0693 53.9959 35.8380 172.3990 124 P 4.5044 0.0000 0.0000 63.0730 32.7714 177.4031 125 G 3.9494 10.0447 108.5023 46.5742 0.0000 174.7414 126 R 4.2014 7.6368 122.7949 56.5199 30.2054 179.1370 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 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 2 Q 7.01 3.68 0.00 0.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.71 0.00 0.00 0.00 0.00 0.00 2.03 1.57 0.00 3 F 6.66 5.12 0.00 3.08 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 4 R 9.35 4.93 0.00 1.89 2.13 0.00 2.75 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 5 V 8.39 4.81 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 1.13 0.00 0.00 6 I 8.94 4.55 1.85 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 1.17 0.54 0.91 0.00 0.00 7 G 8.39 4.54 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 0.00 8 P 0.00 4.22 0.00 1.94 2.15 0.00 3.82 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 2.05 1.95 0.00 9 G 9.29 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 0.00 0.00 0.00 10 H 7.19 5.00 0.00 3.19 3.27 0.00 5.73 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 11 P 0.00 4.70 0.00 2.01 2.08 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.34 0.00 12 I 8.84 4.36 1.85 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 1.23 0.81 0.94 0.00 0.00 13 R 8.58 5.21 0.00 1.68 1.83 0.00 3.18 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 14 A 8.90 4.75 1.17 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 0.00 0.00 15 L 8.90 4.96 0.00 1.71 1.55 0.91 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 16 V 8.20 3.69 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 0.59 0.00 0.00 0.40 0.00 0.00 17 G 9.04 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 0.00 0.00 0.00 18 D 8.13 4.71 0.00 2.72 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 19 E 8.54 5.05 0.00 1.80 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 2.20 2.27 0.00 20 A 8.82 4.68 1.10 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 0.00 0.00 21 E 8.76 4.88 0.00 1.76 1.77 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 2.09 2.21 0.00 22 L 8.57 4.66 0.00 0.64 1.38 0.08 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 5.42 0.00 2.16 2.18 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 24 C 9.01 5.37 0.00 3.12 3.08 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 25 R 9.03 5.25 0.00 1.82 1.92 0.00 2.77 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.49 0.00 26 I 7.66 4.31 1.08 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.26 -0.84 0.00 0.00 27 S 8.89 4.66 0.00 3.80 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 28 P 0.00 4.63 0.00 2.08 1.96 0.00 3.79 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 2.04 2.09 0.00 29 G 8.35 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 30 K 8.05 4.53 0.00 1.71 1.74 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.20 1.33 7.81 31 N 9.11 4.51 0.00 2.75 2.81 0.00 0.00 7.15 7.96 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 32 A 8.89 4.76 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 33 T 8.50 4.10 4.32 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 1.32 0.00 0.00 34 G 7.30 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 0.00 0.00 0.00 *36 E 7.78 4.27 0.00 2.16 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 2.43 2.51 0.00 37 V 9.02 4.17 1.88 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 0.01 0.00 0.00 0.66 0.00 0.00 38 G 7.07 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 0.00 0.00 0.00 0.00 39 W 9.42 5.63 0.00 3.22 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 40 Y 9.03 5.49 0.00 3.15 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 41 R 9.04 4.23 0.00 1.76 1.85 0.00 2.67 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 42 S 8.48 4.56 0.00 3.75 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 *45 S 8.11 4.22 0.00 3.65 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 46 R 8.39 3.94 0.00 1.95 2.05 0.00 3.30 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 47 V 8.45 4.31 2.27 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 1.07 0.00 0.00 1.00 0.00 0.00 48 V 9.07 3.57 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 0.13 0.00 0.00 0.72 0.00 0.00 49 H 7.96 4.81 0.00 3.25 3.14 0.00 5.86 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.25 5.20 0.00 1.76 1.46 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 9.07 5.19 0.00 3.05 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 52 R 8.60 4.16 0.00 1.83 1.58 0.00 3.29 0.00 0.00 3.42 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 53 N 9.49 4.32 0.00 2.76 2.77 0.00 0.00 7.02 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 54 G 9.16 4.08 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 0.00 0.00 0.00 55 K 7.00 4.70 0.00 2.01 1.89 0.00 1.15 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.30 1.46 7.81 56 D 8.75 4.95 0.00 2.76 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 57 Q 9.08 4.47 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 58 D 8.37 4.33 0.00 2.71 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 59 A 7.96 4.21 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 60 E 7.94 4.52 0.00 2.15 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 2.28 2.23 0.00 61 Q 7.55 4.59 0.00 2.59 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.36 0.00 62 A 8.96 4.69 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.17 0.00 2.20 2.11 0.00 3.65 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 64 E 8.19 4.13 0.00 1.78 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 2.08 2.14 0.00 65 Y 7.52 4.71 0.00 2.91 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 66 R 7.14 4.72 0.00 1.77 1.91 0.00 3.27 0.00 0.00 3.10 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 67 G 9.02 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 68 R 8.48 4.97 0.00 1.91 2.02 0.00 3.11 0.00 0.00 3.28 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.36 0.00 69 T 7.93 5.30 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 1.41 0.00 0.00 70 E 8.84 4.72 0.00 1.80 1.73 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 2.20 2.21 0.00 71 L 8.17 4.80 0.00 1.24 1.40 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 72 L 9.02 4.15 0.00 1.65 1.54 0.84 0.55 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 73 K 8.46 4.42 0.00 1.66 1.58 0.00 0.94 0.00 0.00 0.91 0.00 0.00 2.75 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.06 1.42 7.81 74 E 8.29 3.86 0.00 1.90 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 2.28 2.34 0.00 75 S 7.79 4.73 0.00 3.89 3.80 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 76 I 7.32 3.90 1.80 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 1.16 2.02 0.87 0.00 0.00 77 G 8.13 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 78 E 8.28 4.45 0.00 2.08 1.94 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 2.24 2.21 0.00 79 G 8.19 3.81 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 0.00 0.00 0.00 80 K 7.83 5.14 0.00 1.69 1.69 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.40 7.81 81 V 9.02 4.75 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 0.71 0.00 0.00 1.07 0.00 0.00 82 A 8.37 5.19 1.12 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 83 L 8.43 4.14 0.00 0.27 0.13 0.49 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.83 4.81 0.00 1.72 1.63 0.00 3.30 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 85 I 8.51 4.85 1.80 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.30 1.06 0.00 0.00 86 Q 9.06 4.46 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.26 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 87 N 8.48 4.20 0.00 2.80 2.80 0.00 0.00 6.89 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 88 V 8.02 3.87 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 1.01 0.00 0.00 0.92 0.00 0.00 89 R 8.99 4.83 0.00 1.92 1.91 0.00 2.81 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 90 F 8.62 4.52 0.00 3.15 3.03 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 91 S 8.14 4.32 0.00 4.00 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 92 D 8.07 4.75 0.00 2.97 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 93 E 8.00 4.32 0.00 2.19 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 2.43 2.56 0.00 94 G 8.82 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 95 G 8.71 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 0.00 0.00 0.00 96 Y 9.27 5.29 0.00 3.24 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 97 T 8.95 4.83 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 0.84 0.00 0.00 98 C 8.59 4.40 0.00 1.23 2.02 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 99 F 8.36 5.63 0.00 3.27 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 0.00 100 F 9.44 5.26 0.00 3.00 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 0.00 101 R 9.55 5.22 0.00 2.18 2.05 0.00 3.35 0.00 0.00 3.42 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 102 D 9.71 4.97 0.00 3.14 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 0.00 103 H 8.46 4.09 0.00 3.46 2.58 0.00 5.74 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 0.00 104 S 9.28 4.51 0.00 4.02 4.02 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 0.00 105 Y 8.07 4.52 0.00 3.05 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 0.00 106 Q 7.46 5.00 0.00 1.95 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.24 2.74 0.00 107 E 8.98 4.91 0.00 1.95 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 1.96 2.52 0.00 108 E 9.16 5.30 0.00 2.02 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 2.21 2.27 0.00 109 A 8.94 4.79 1.21 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 0.00 0.00 110 A 8.50 5.03 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 0.00 0.00 111 V 9.01 4.55 2.40 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 1.13 0.00 0.00 1.10 0.00 0.00 112 E 8.93 5.32 0.00 2.14 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 0.00 2.35 2.36 0.00 113 L 9.16 5.24 0.00 1.75 1.71 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 114 K 9.34 5.01 0.00 1.73 1.73 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.41 7.81 115 V 9.11 4.93 2.33 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 0.54 0.00 0.00 1.02 0.00 0.00 116 E 9.07 4.82 0.00 2.12 1.77 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 2.24 2.29 0.00 117 D 8.88 5.01 0.00 2.51 2.82 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 0.00 118 P 0.00 4.53 0.00 1.87 2.08 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 119 F 8.33 4.16 0.00 2.82 2.41 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 0.00 120 Y 8.06 4.29 0.00 3.17 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 0.00 121 W 6.83 4.60 0.00 3.46 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 0.00 122 I 6.95 4.02 1.61 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 1.24 0.45 -0.08 0.00 0.00 123 N 8.50 4.10 0.00 2.81 2.87 0.00 0.00 7.00 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 0.00 124 P 0.00 4.50 0.00 2.10 2.07 0.00 3.80 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.29 0.00 125 G 10.04 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 0.00 126 R 7.64 4.20 0.00 1.80 1.63 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.19 0.00 * Residues marked with a * may have inaccurate shift predictions.