NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3872 8.0333 110.9519 61.5941 69.7769 171.6272 3 L 4.6992 7.4610 119.7943 51.4274 43.8873 174.3690 4 H 4.2136 8.8054 123.5337 55.6938 31.1578 175.1583 5 K 3.8107 8.7567 129.0720 59.2457 31.9581 176.9782 6 E 4.4477 8.1871 113.8880 56.6912 30.4856 176.2788 7 R 4.9366 7.9017 117.1767 56.1737 30.3282 176.4349 8 R 4.2042 7.9676 119.0838 56.7943 30.7435 176.2626 9 I 3.1374 8.3063 125.0114 63.7932 38.1892 177.9293 10 G 3.5463 7.8494 106.0507 47.7742 0.0000 175.4778 11 R 3.8534 7.7913 120.9103 59.1277 30.2065 178.4578 12 L 3.8701 7.8301 118.9876 57.7352 41.4576 179.6767 13 S 4.0196 7.9037 114.2379 61.2992 62.9366 176.8090 14 V 3.7319 7.7219 121.6757 65.7060 31.1488 177.8849 15 L 3.9610 7.9397 117.9909 57.8898 41.4970 179.0468 16 L 4.0760 7.7130 119.3712 57.7688 42.0812 178.3934 17 L 4.1358 7.5981 119.3635 57.2723 42.0224 177.8758 18 L 4.6041 7.3444 116.0382 53.1739 42.0020 175.7770 19 N 4.8864 7.5686 116.7561 51.0345 40.4156 173.9832 20 E 3.9176 9.0232 122.3917 59.1245 29.5857 177.4023 21 A 4.1690 8.1740 124.0796 51.9265 20.2186 177.1916 *26 Q 4.4076 8.3964 114.5516 55.4252 30.5788 173.9470 27 V 3.6679 7.7053 117.3404 65.7085 31.5443 177.6482 28 E 4.0129 8.3561 120.2617 60.2084 29.3797 179.3916 29 E 4.0594 8.2755 117.4693 61.5437 29.8245 181.0639 30 L 4.5059 7.8326 119.5313 57.8044 41.4672 179.6615 31 E 4.5364 8.2907 121.4591 59.4269 29.4510 179.8841 32 R 4.1265 8.6350 120.6956 62.3471 29.9765 181.5118 33 D 5.2246 8.5221 125.7814 54.2519 42.0559 177.7828 34 G 3.9116 8.1899 110.8587 46.0393 0.0000 172.0817 35 W 5.2018 7.8963 119.1930 54.4110 32.2592 175.8027 36 K 4.5135 9.1893 124.6438 56.0154 32.4006 176.0742 37 V 4.9119 8.4078 125.0765 61.4628 34.1718 174.3298 38 C 4.8462 8.5343 125.2206 58.2220 35.2342 172.6088 39 L 5.0781 8.1195 124.3404 53.2651 45.5045 175.3818 40 G 3.4309 7.2131 106.7534 45.6890 0.0000 172.2577 41 K 5.3221 8.3690 118.4995 54.5234 36.0155 176.9585 42 V 4.4621 9.3394 124.1034 60.5368 34.8337 173.4601 43 G 4.4377 8.3893 112.3870 44.5642 0.0000 172.0704 44 S 4.7593 8.6736 115.9090 57.8210 66.5500 175.6999 45 M 4.3709 8.4849 120.3725 55.0431 31.6594 174.8477 46 D 5.0889 8.2282 121.0052 52.4664 43.4232 177.2180 47 A 4.0825 8.5222 125.8653 55.1091 18.3961 179.2068 48 H 4.3234 8.0950 112.9908 58.1465 28.7359 177.4741 49 K 4.0831 7.4361 120.0732 58.4683 31.9242 179.3528 50 V 3.4575 7.4324 118.3995 66.0158 31.5270 177.9778 51 I 3.5462 7.5713 119.2158 64.2939 36.9211 178.3714 52 A 3.9621 7.8573 121.2066 55.0738 18.0790 179.5831 53 A 4.0473 7.9901 119.2118 54.9524 18.3607 179.9232 54 I 3.2058 7.2266 118.4019 63.9204 37.3066 178.0300 55 E 3.9166 8.2662 120.3759 59.5892 29.5140 179.0970 56 T 3.8767 7.9895 115.5155 66.6397 68.6494 176.6641 57 A 4.1628 7.8781 122.7871 55.3813 18.3258 179.8700 58 S 4.2561 8.4902 113.4878 61.0854 62.6604 176.5786 59 K 4.2379 7.8773 122.5843 58.7461 32.1561 179.7721 60 K 4.2077 8.4314 124.2466 59.0450 31.9926 181.7178 61 S 4.6601 7.5176 112.9267 57.4689 64.6274 174.6689 62 G 3.9495 8.2353 109.9836 44.6273 0.0000 173.8459 63 V 4.0064 7.6503 120.5830 64.3330 32.8291 175.5090 64 I 4.8003 7.0375 110.6246 58.2529 40.1919 175.1150 65 Q 4.0290 9.6570 121.9808 56.5939 28.7795 177.4540 66 S 4.2831 8.8540 119.1651 60.2347 62.9599 174.0186 67 E 4.6684 8.0840 114.6673 55.1537 32.9819 181.5437 68 G 4.0154 8.8522 106.6852 45.8947 0.0000 172.6346 69 Y 4.7982 8.3204 116.6952 59.2047 39.9696 177.5342 70 R 3.6249 7.9057 116.4936 59.3753 29.3731 178.4202 71 E 4.0349 8.0258 118.4265 58.8801 29.6902 179.0440 72 S 4.1910 7.9308 114.9274 61.6189 63.0044 175.9525 73 H 3.9382 8.1667 121.1741 58.9614 29.5518 177.2484 74 A 3.9627 7.9284 122.8030 54.9137 18.1713 179.3815 75 L 3.9672 7.9597 118.9957 58.0685 42.0597 178.4372 76 Y 3.8810 7.9845 119.6790 61.1846 38.8476 177.9233 77 H 4.1635 8.2955 116.5490 58.5418 28.7362 177.7666 78 A 4.0705 7.9245 122.4824 55.1713 18.0994 179.8797 79 T 3.7370 7.7984 114.4504 66.8978 68.5304 176.8519 80 M 3.8338 8.0061 120.9951 58.6205 32.2890 178.7669 81 E 4.0688 8.2683 118.2801 59.1003 29.6353 179.2335 82 A 3.8311 7.7663 120.5942 55.0288 18.5124 179.4502 83 L 4.0064 8.2888 117.5120 57.6918 41.5674 179.3540 84 H 4.2171 7.8829 116.4241 58.7298 28.3576 177.9208 85 G 3.6675 7.4153 105.9675 47.5818 0.0000 175.7574 86 V 4.3174 7.8713 120.9946 64.9948 31.9030 177.5120 87 T 4.1863 8.2693 109.4092 62.9438 70.4180 173.4980 88 R 3.9175 8.6666 121.8682 53.4509 26.4465 174.6024 89 G 4.0518 7.5059 109.5419 43.7887 0.0000 170.8040 90 E 4.5050 7.8098 119.3713 53.9194 31.9857 177.3711 91 M 4.4086 8.2738 126.5945 53.9749 30.9723 175.3330 92 L 4.8586 7.2935 118.5589 52.9203 46.0126 174.9962 93 L 4.5266 7.8120 117.9732 55.5814 45.0862 178.8234 94 G 3.6022 8.0777 111.3451 48.8711 0.0000 175.1403 95 S 4.4511 7.9680 111.7330 59.1499 63.5340 174.3223 96 L 4.5950 7.4361 120.2941 54.0349 42.5913 175.9647 97 L 3.6043 7.5964 117.8519 55.6412 40.5745 172.9123 98 R 4.9658 8.1355 112.9053 55.6912 33.6923 175.0071 99 T 4.7741 8.6888 112.4594 61.0399 71.3670 172.5552 100 V 5.3086 8.3631 119.3852 59.0011 35.1640 175.1623 101 G 4.5476 8.1316 107.2218 44.2212 0.0000 170.9203 102 L 5.0303 9.0380 126.1250 53.2899 44.7190 175.1015 103 R 5.1775 9.5305 123.5253 54.5425 32.9755 174.5904 104 F 5.5975 8.9506 119.8263 55.1077 42.0381 173.3736 105 A 5.1368 9.0047 121.3072 50.2927 22.4504 175.0138 106 V 4.7577 9.0254 122.8898 61.1250 33.9904 173.9420 107 L 5.0576 8.5436 130.3262 53.3153 44.6750 174.9944 108 R 5.2569 10.0773 125.4494 53.6398 33.8602 175.2896 109 G 4.1636 8.0633 112.8973 45.3837 0.0000 170.3328 110 N 5.2535 8.0966 118.5584 51.0731 38.1083 172.5206 111 P 5.1015 0.0000 0.0000 62.3067 31.8128 175.1134 112 Y 4.5389 7.7836 119.2988 57.0488 40.0189 176.2310 113 E 4.1919 8.4929 116.8816 59.0378 29.8830 174.3341 114 S 4.4737 7.7939 114.4591 58.0027 63.8422 174.4897 115 E 4.3753 8.6667 120.5454 56.8328 29.6342 177.9504 116 A 3.9600 7.8105 121.8387 54.1363 18.9084 178.8644 117 E 4.0442 7.9700 115.2636 57.4741 29.5216 178.6064 118 G 3.9851 7.7545 107.5475 44.4848 0.0000 171.5353 119 D 4.9649 8.5234 118.2043 54.3925 41.9564 175.9626 120 W 5.1915 10.0793 123.0333 54.8599 33.2328 174.1812 121 I 5.1046 9.5709 122.6833 59.2419 40.8014 174.1151 122 A 5.0446 9.0089 130.5374 50.2396 21.5598 175.2432 123 V 4.1171 8.6861 123.6642 62.7784 32.9072 174.9327 124 S 5.0712 8.9232 124.7682 56.6244 65.7616 173.3035 125 L 5.2761 8.7620 124.2145 53.0701 44.8470 174.9814 126 Y 5.1669 9.5390 124.2500 55.1202 42.4637 175.2920 127 G 3.8515 6.5775 111.9960 46.4452 0.0000 171.4968 128 T 5.0202 7.3594 112.5430 59.9304 72.5661 173.5717 129 I 5.2614 7.7886 122.2402 59.2040 41.9152 174.5704 130 G 4.2145 8.1092 113.3542 46.1152 0.0000 171.9725 131 A 4.4122 8.3837 121.8814 51.5853 18.4404 176.7430 132 P 4.1653 0.0000 0.0000 65.6383 31.5621 177.0365 133 I 3.9797 7.6725 119.2729 60.7756 36.5546 175.9023 134 K 4.4649 8.4362 126.6696 54.6587 31.6497 175.5006 135 G 4.0275 8.0416 113.9801 46.2729 0.0000 171.1211 136 L 4.5139 7.6877 120.5412 53.8439 40.2641 175.4253 137 E 5.1910 8.1132 118.7395 55.1759 32.5897 174.1593 138 H 5.1294 8.3050 116.4714 53.3656 32.2295 172.9204 139 E 4.5693 8.8054 118.2868 57.0907 30.2619 176.3888 140 T 4.8462 8.7723 116.1101 60.8254 71.5236 172.5116 141 F 5.2736 8.7850 127.5604 57.3325 42.6798 173.4044 142 G 4.7873 8.3998 112.1199 45.4040 0.0000 171.8338 143 V 4.8665 8.4432 122.9993 60.7431 34.5796 174.5825 144 G 4.6901 9.0590 115.0398 43.6261 0.0000 171.5178 145 I 5.2521 8.5503 126.2181 59.6374 39.4407 174.6181 146 N 5.3055 9.4086 125.2491 51.7656 42.9960 172.8173 147 H 3.6619 8.2427 119.3689 54.9022 29.5497 174.9498 148 I 3.9905 7.7927 121.5764 61.0421 37.6275 174.8839 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 T 8.03 4.39 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 1.23 0.00 0.00 3 L 7.46 4.70 0.00 1.50 1.49 0.76 -0.12 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 4 H 8.81 4.21 0.00 3.23 3.18 0.00 5.89 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.76 3.81 0.00 1.65 1.81 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.48 7.81 6 E 8.19 4.45 0.00 2.18 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 0.00 2.31 2.48 0.00 7 R 7.90 4.94 0.00 2.45 2.33 0.00 2.70 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 8 R 7.97 4.20 0.00 1.84 1.86 0.00 3.07 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.92 0.00 9 I 8.31 3.14 1.95 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.86 0.92 0.00 0.00 10 G 7.85 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.79 3.85 0.00 1.84 2.01 0.00 3.15 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 12 L 7.83 3.87 0.00 1.30 1.36 0.78 0.66 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 13 S 7.90 4.02 0.00 3.98 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 14 V 7.72 3.73 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 1.29 0.00 0.00 1.16 0.00 0.00 15 L 7.94 3.96 0.00 1.85 1.68 0.88 1.12 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 16 L 7.71 4.08 0.00 1.63 1.89 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.60 4.14 0.00 1.87 1.88 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.34 4.60 0.00 1.56 1.44 0.81 0.07 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 19 N 7.57 4.89 0.00 2.75 2.69 0.00 0.00 7.07 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 20 E 9.02 3.92 0.00 2.04 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 2.27 2.38 0.00 21 A 8.17 4.17 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 0.00 0.00 *26 Q 8.40 4.41 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.49 6.85 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 27 V 7.71 3.67 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 1.09 0.00 0.00 0.92 0.00 0.00 28 E 8.36 4.01 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 2.42 2.40 0.00 29 E 8.28 4.06 0.00 1.97 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 2.32 1.99 0.00 30 L 7.83 4.51 0.00 1.79 1.94 0.87 0.94 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 31 E 8.29 4.54 0.00 2.25 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 2.52 2.33 0.00 32 R 8.64 4.13 0.00 1.87 1.85 0.00 3.26 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 33 D 8.52 5.22 0.00 2.96 2.45 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 34 G 8.19 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 0.00 0.00 0.00 35 W 7.90 5.20 0.00 3.45 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 36 K 9.19 4.51 0.00 1.84 1.84 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.46 7.81 37 V 8.41 4.91 2.13 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 0.77 0.00 0.00 1.04 0.00 0.00 38 C 8.53 4.85 0.00 3.01 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 39 L 8.12 5.08 0.00 1.40 1.33 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.21 3.43 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 0.00 41 K 8.37 5.32 0.00 1.55 1.66 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.29 7.81 42 V 9.34 4.46 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 0.87 0.00 0.00 1.00 0.00 0.00 43 G 8.39 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 0.00 0.00 0.00 0.00 44 S 8.67 4.76 0.00 3.83 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 45 M 8.48 4.37 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 46 D 8.23 5.09 0.00 2.46 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 47 A 8.52 4.08 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 48 H 8.09 4.32 0.00 3.43 3.59 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.44 4.08 0.00 1.91 1.83 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.19 7.81 50 V 7.43 3.46 2.13 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 0.94 0.00 0.00 0.87 0.00 0.00 51 I 7.57 3.55 1.85 0.00 0.00 0.76 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 0.46 0.88 0.00 0.00 52 A 7.86 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.99 4.05 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 54 I 7.23 3.21 1.63 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.66 0.00 0.00 55 E 8.27 3.92 0.00 2.14 1.95 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 2.33 2.38 0.00 56 T 7.99 3.88 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 1.24 0.00 0.00 57 A 7.88 4.16 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 0.00 0.00 0.00 0.00 0.00 58 S 8.49 4.26 0.00 3.94 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 59 K 7.88 4.24 0.00 2.00 1.89 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.56 7.81 60 K 8.43 4.21 0.00 1.80 1.72 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.32 7.81 61 S 7.52 4.66 0.00 4.04 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 62 G 8.24 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 63 V 7.65 4.01 2.28 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 0.94 0.00 0.00 0.99 0.00 0.00 64 I 7.04 4.80 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 1.33 0.88 0.94 0.00 0.00 65 Q 9.66 4.03 0.00 2.01 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 66 S 8.85 4.28 0.00 3.85 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 67 E 8.08 4.67 0.00 1.98 1.65 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 2.10 1.83 0.00 68 G 8.85 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 0.00 0.00 0.00 69 Y 8.32 4.80 0.00 2.96 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 70 R 7.91 3.62 0.00 1.96 2.11 0.00 2.97 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 71 E 8.03 4.03 0.00 2.02 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 2.36 2.37 0.00 72 S 7.93 4.19 0.00 4.07 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 73 H 8.17 3.94 0.00 2.15 3.05 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.93 3.96 1.30 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 75 L 7.96 3.97 0.00 1.91 1.83 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.98 3.88 0.00 3.19 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 77 H 8.30 4.16 0.00 3.23 3.33 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.92 4.07 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 79 T 7.80 3.74 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 1.01 0.00 0.00 80 M 8.01 3.83 0.00 1.90 2.12 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 81 E 8.27 4.07 0.00 2.25 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 2.35 2.34 0.00 82 A 7.77 3.83 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 83 L 8.29 4.01 0.00 1.71 1.63 0.77 0.86 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 84 H 7.88 4.22 0.00 3.60 3.36 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.42 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 86 V 7.87 4.32 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 0.90 0.00 0.00 0.93 0.00 0.00 87 T 8.27 4.19 4.47 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 1.16 0.00 0.00 88 R 8.67 3.92 0.00 2.02 2.04 0.00 3.18 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.84 0.00 89 G 7.51 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 90 E 7.81 4.50 0.00 1.94 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 0.00 2.22 2.21 0.00 91 M 8.27 4.41 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 92 L 7.29 4.86 0.00 1.60 1.49 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.81 4.53 0.00 1.85 1.58 0.88 0.84 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 94 G 8.08 3.60 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 0.00 0.00 0.00 95 S 7.97 4.45 0.00 3.99 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 96 L 7.44 4.60 0.00 1.60 1.66 0.92 0.98 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 97 L 7.60 3.60 0.00 1.67 1.67 0.92 0.81 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 98 R 8.14 4.97 0.00 1.85 1.82 0.00 3.10 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 99 T 8.69 4.77 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 1.24 0.00 0.00 100 V 8.36 5.31 2.03 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 0.56 0.00 0.00 0.94 0.00 0.00 101 G 8.13 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 9.04 5.03 0.00 1.81 1.63 0.88 0.88 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 0.00 103 R 9.53 5.18 0.00 1.83 1.97 0.00 3.03 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 104 F 8.95 5.60 0.00 3.06 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 0.00 105 A 9.00 5.14 1.20 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 0.00 0.00 106 V 9.03 4.76 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 0.99 0.00 0.00 1.08 0.00 0.00 107 L 8.54 5.06 0.00 1.68 1.31 0.74 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 108 R 10.08 5.26 0.00 2.02 1.84 0.00 3.42 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 109 G 8.06 4.16 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 0.00 0.00 0.00 110 N 8.10 5.25 0.00 2.74 2.73 0.00 0.00 7.34 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 0.00 111 P 0.00 5.10 0.00 1.95 2.47 0.00 4.15 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 2.00 0.00 112 Y 7.78 4.54 0.00 3.16 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 0.00 113 E 8.49 4.19 0.00 2.02 1.83 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 2.26 2.12 0.00 114 S 7.79 4.47 0.00 4.02 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 0.00 115 E 8.67 4.38 0.00 2.11 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 2.36 2.37 0.00 116 A 7.81 3.96 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 0.00 117 E 7.97 4.04 0.00 2.33 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 0.00 2.33 2.32 0.00 118 G 7.75 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 0.00 119 D 8.52 4.96 0.00 2.75 2.72 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 0.00 120 W 10.08 5.19 0.00 3.39 3.31 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 0.00 121 I 9.57 5.10 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 2.02 0.96 0.00 0.00 122 A 9.01 5.04 1.23 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 0.00 123 V 8.69 4.12 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 0.94 0.00 0.00 0.91 0.00 0.00 124 S 8.92 5.07 0.00 3.74 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 0.00 125 L 8.76 5.28 0.00 1.38 1.48 0.83 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 9.54 5.17 0.00 3.11 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 0.00 127 G 6.58 3.85 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 0.00 128 T 7.36 5.02 4.17 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 1.11 0.00 0.00 129 I 7.79 5.26 1.81 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 1.05 2.51 0.78 0.00 0.00 130 G 8.11 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 0.00 0.00 0.00 131 A 8.38 4.41 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 0.00 132 P 0.00 4.17 0.00 2.04 2.14 0.00 3.67 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 2.03 2.12 0.00 133 I 7.67 3.98 1.87 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 1.47 0.46 0.91 0.00 0.00 134 K 8.44 4.46 0.00 1.97 1.97 0.00 1.50 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.38 7.81 135 G 8.04 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 0.00 136 L 7.69 4.51 0.00 1.65 1.64 0.99 0.82 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 0.00 137 E 8.11 5.19 0.00 2.00 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 2.17 2.27 0.00 138 H 8.30 5.13 0.00 3.19 3.43 0.00 5.46 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.81 4.57 0.00 1.97 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 2.33 2.36 0.00 140 T 8.77 4.85 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 1.18 0.00 0.00 141 F 8.79 5.27 0.00 3.21 2.92 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 0.00 142 G 8.40 4.79 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 0.00 0.00 0.00 143 V 8.44 4.87 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 0.83 0.00 0.00 0.82 0.00 0.00 144 G 9.06 4.69 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 0.00 0.00 0.00 145 I 8.55 5.25 2.01 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 1.30 0.76 1.25 0.00 0.00 146 N 9.41 5.31 0.00 2.79 2.56 0.00 0.00 6.55 8.56 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 0.00 147 H 8.24 3.66 0.00 2.09 1.31 0.00 5.52 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 0.00 148 I 7.79 3.99 1.83 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 1.06 0.90 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.