NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.2693 8.1744 115.2432 61.5717 69.2797 174.1570 7 E 4.1060 8.0911 120.4365 57.3965 30.3675 174.5011 8 N 4.8929 8.7510 116.1802 53.1146 40.5525 174.3840 9 R 4.8979 9.1284 120.7610 54.8172 33.1699 175.3572 10 T 5.2605 8.4444 110.9290 60.0910 72.1374 173.1255 11 V 4.1521 9.2067 124.9249 61.9218 33.0800 174.6160 12 V 4.5516 8.3159 127.3486 60.9763 33.9711 174.6319 13 V 4.3003 7.9799 126.2419 61.0713 34.6640 173.6965 14 E 5.1240 8.5750 125.8870 54.8894 33.0875 175.2556 15 R 4.7091 8.9944 120.6299 54.9727 35.4548 173.7234 16 Q 4.7383 8.6858 123.2907 54.9264 30.3388 174.5039 17 I 4.4504 8.7546 128.3510 58.9971 39.4300 176.9417 18 S 4.7612 8.2182 124.8555 57.5906 62.5266 173.7352 19 H 4.9218 7.5562 115.3235 52.3161 33.3657 172.9369 20 P 4.4726 0.0000 0.0000 62.3213 33.0500 175.6682 21 P 4.3771 0.0000 0.0000 65.2389 31.2943 178.7112 22 E 4.7236 8.1686 118.1441 58.8251 29.4805 179.2526 23 K 3.9450 8.0075 119.0086 59.5075 32.4533 178.5026 24 L 3.8856 7.8691 120.2829 57.7132 41.8292 178.6616 25 W 4.0895 8.6369 128.8596 60.4960 30.6708 178.1909 26 R 3.8830 8.1519 117.7584 59.2588 29.3329 178.9471 27 A 4.0750 7.6710 118.6000 54.3066 18.4115 178.7137 28 L 4.3523 7.1782 115.3964 55.2773 42.2175 177.1454 29 T 4.2222 7.0724 106.2739 60.6391 70.2398 173.5873 30 Q 4.5362 7.9209 123.0018 53.9381 30.2415 173.9645 31 P 4.1425 0.0000 0.0000 66.3450 31.2150 178.2281 32 H 4.2067 8.2269 111.9336 58.3607 28.6130 177.0095 33 L 4.1222 7.4461 121.2706 57.4703 41.8639 178.8320 34 I 3.2678 7.9887 120.1391 64.2505 36.7215 178.0333 35 E 3.8816 7.8494 119.0901 59.1844 29.4067 178.4846 36 E 4.1366 7.9158 118.4163 58.1807 29.6107 177.6673 37 W 4.8043 7.7935 113.3186 55.9594 30.2552 175.3468 38 L 3.7195 7.1548 118.8906 54.9489 43.2972 176.0778 *40 K 3.9635 8.2621 115.2894 56.2734 33.8667 173.9650 41 N 5.3073 8.2846 120.3450 53.2783 39.6421 173.1698 42 D 4.9497 8.3709 116.4724 52.6768 39.8546 176.0461 43 F 3.2361 7.9629 120.4889 59.0545 40.2074 174.0251 44 K 3.9886 5.8186 123.9819 54.0805 36.1607 175.8888 45 P 4.4673 0.0000 0.0000 61.9669 30.2347 176.6904 46 A 4.6152 7.0454 120.8057 49.8211 22.3252 176.1783 47 V 3.8870 8.4923 123.0265 64.6673 31.9480 175.9365 48 G 4.0558 8.8737 115.8377 45.3517 0.0000 173.2842 49 H 4.3059 8.3238 120.8688 56.4979 30.7963 174.1931 50 R 5.2113 8.3747 124.6648 54.8746 32.2510 175.4816 51 F 4.8745 8.7016 117.4400 56.3608 41.4232 172.4463 52 N 5.3370 9.8445 114.8531 51.8852 43.6732 173.7912 53 I 4.7701 8.0375 113.1858 59.2660 40.2630 174.5838 54 S 4.8292 8.7479 120.3772 56.4355 66.5052 173.0488 55 A 4.4889 8.0039 122.4977 49.9903 21.0735 177.9816 56 D 4.2607 8.5918 118.9270 56.7324 40.9936 177.8732 57 W 4.5369 7.3945 113.7719 55.9594 28.8131 175.9488 58 G 3.9054 7.5546 109.8221 45.9782 0.0000 175.3036 59 G 3.2926 6.1090 106.8735 46.5707 0.0000 173.0408 60 V 4.8236 7.8079 120.8838 60.1455 34.4801 173.2681 61 L 4.7291 8.7933 122.6747 53.0485 45.4820 174.9132 62 D 4.9521 8.7138 121.7412 53.2376 42.8140 175.5561 63 C 5.1484 8.2734 119.2226 56.9060 33.0792 172.9003 64 E 5.2161 9.0047 119.8119 54.6035 33.8332 175.0993 65 V 4.3313 9.4875 125.3536 63.5014 32.1310 176.1731 66 L 4.5747 9.5155 127.9649 56.3612 43.1629 176.8921 67 A 4.8652 7.8757 118.1903 50.6271 23.0021 175.5467 68 V 4.9021 8.3544 119.7858 61.8022 34.7134 174.3623 69 E 4.5161 9.8088 129.2877 53.5395 31.4219 171.3566 70 P 2.9700 0.0000 0.0000 62.1652 31.4429 175.6640 71 N 3.9105 5.7700 118.8164 53.6311 36.5742 174.6074 72 K 4.2680 7.8344 119.0061 57.7823 34.7333 175.7903 73 T 5.3665 7.6346 112.7920 60.8565 71.1382 171.5719 74 L 5.5117 9.2577 129.2453 53.6580 45.8773 174.8806 75 S 5.2062 9.3117 120.3978 56.8902 66.1500 172.1017 76 Y 5.6601 8.5401 123.6978 56.2621 41.8592 173.8582 77 T 4.9070 9.1778 110.5021 61.1652 71.0984 174.2325 78 W 5.3435 9.2600 122.0357 55.2028 31.8345 173.8532 79 N 5.3312 9.2300 121.7030 51.3882 42.6450 173.7279 80 L 4.6698 8.9868 122.9233 54.1689 45.6733 174.1059 81 A 4.9109 8.6641 129.2244 51.6036 19.4976 175.7134 82 H 4.8024 9.2664 121.7043 54.8268 33.3847 174.6453 83 Q 3.9838 8.7561 122.8996 58.5748 29.1003 176.3873 84 D 4.7068 8.1723 116.4390 52.4724 41.5458 175.2258 85 P 4.3899 0.0000 0.0000 65.4008 31.3558 177.2152 86 A 4.0562 8.4810 121.2052 53.5928 18.4415 177.5701 87 F 4.9845 7.9648 112.6990 57.3748 41.3848 175.6103 88 D 4.7642 8.4269 117.8491 54.2477 40.8694 174.3916 89 L 4.8155 9.0573 128.7116 53.1990 44.6523 175.1836 90 R 5.6337 8.7248 125.3187 54.1071 32.6877 173.7112 91 S 4.7287 8.9055 119.9514 57.1548 67.5042 172.9128 92 V 4.8166 8.4280 119.6368 61.0538 34.4661 174.0427 93 V 4.3298 8.7958 128.0326 61.2930 33.4246 174.3826 94 T 4.7837 8.0090 124.2374 61.7659 71.6240 173.2964 95 F 4.9521 9.4833 125.9109 56.2901 41.7216 175.2144 96 T 5.0344 8.9356 118.9696 61.9875 71.8683 172.7262 97 L 5.0546 9.1994 127.6828 53.5929 43.4685 176.5874 98 T 4.5280 8.8737 120.6378 60.8374 71.1817 171.7114 99 P 4.8584 0.0000 0.0000 63.1475 32.1499 176.1344 100 T 4.7588 9.0493 113.0113 58.8695 72.1076 173.0023 101 P 4.2298 0.0000 0.0000 65.5097 31.1891 177.6423 102 T 4.4939 7.9176 105.9652 60.8120 70.8434 176.0753 103 G 4.5116 6.3206 113.3130 46.6512 0.0000 175.0303 104 T 5.0647 8.6457 122.4339 61.8094 72.9404 170.7970 105 H 4.8610 9.4316 126.6488 55.0107 31.5780 173.3379 106 L 5.1517 8.8710 128.1856 53.4458 44.8809 175.1071 107 R 5.4810 8.3492 125.3134 53.4228 34.3956 173.1169 *109 E 4.3250 8.4699 117.2712 56.1557 31.3486 174.9166 110 Q 4.7936 9.0890 126.3053 54.4443 31.5177 174.6021 111 S 4.9197 8.7626 121.4691 56.5805 66.3026 174.9682 112 G 3.8725 8.9396 106.7789 45.0342 0.0000 173.6697 113 F 4.5191 8.0172 119.9829 56.8901 39.1322 175.6388 114 R 4.4168 9.4810 126.2162 55.2232 30.4927 176.3639 115 P 4.1994 0.0000 0.0000 65.5452 31.2876 176.9406 116 D 4.5524 8.0326 116.0328 54.1313 40.7715 177.2660 117 Q 4.5101 7.8971 122.4771 55.4618 25.6111 176.6392 118 R 4.0450 7.5575 121.0738 58.7856 30.6844 179.0809 119 R 3.8396 7.9097 118.2398 59.4344 30.3120 178.1033 120 A 4.0910 8.0449 120.1260 55.2860 18.3113 178.8492 121 Y 2.9174 7.9108 117.8767 60.5253 38.6926 178.4505 122 G 3.6010 7.9926 105.3862 47.5925 0.0000 175.5668 123 G 3.7437 8.1281 107.2481 47.5547 0.0000 175.3417 124 A 4.3747 7.8763 123.4861 54.7194 18.1413 180.1013 125 K 3.7205 7.4917 111.8991 57.6855 32.0108 178.0997 *127 G 3.7439 8.0030 110.9113 45.3344 0.0000 175.7535 128 W 4.5825 8.1890 120.0222 59.3208 29.0129 176.6668 129 P 4.3117 0.0000 0.0000 65.6636 30.7454 178.4138 130 Q 3.9956 7.9678 117.8362 59.1849 28.9883 178.0292 131 F 4.7241 8.0869 118.8826 60.8787 38.9603 177.6699 132 F 4.0198 9.3809 117.9374 60.4789 38.7386 177.2840 133 E 4.0274 8.6016 118.9946 59.2785 29.4728 179.0349 134 K 4.2318 8.3270 118.5263 59.4042 32.1954 178.9589 135 L 3.7783 8.2683 120.8832 58.2691 41.9718 178.9709 136 E 3.9679 8.3720 118.8161 59.3955 29.3784 179.3859 137 Q 4.0847 8.3011 117.6842 58.8238 28.6337 178.4272 138 L 3.9362 7.9326 122.5177 58.2150 42.0144 178.9806 139 L 3.9206 7.6662 117.3654 57.7037 41.5635 178.9395 140 D 4.5652 8.0605 118.9040 57.0702 40.6364 178.7620 141 R 3.9246 8.1202 119.3195 59.0312 30.2253 176.9951 142 T 4.3489 7.7942 105.6474 61.3906 69.1774 173.9866 143 D 4.6530 7.4320 122.3341 53.2720 42.1735 176.1059 144 L 4.1863 8.4875 124.1138 55.2712 41.5649 177.0372 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 6 T 8.17 4.27 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 1.21 0.00 0.00 7 E 8.09 4.11 0.00 2.04 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 2.23 2.38 0.00 8 N 8.75 4.89 0.00 2.67 2.76 0.00 0.00 6.79 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 9 R 9.13 4.90 0.00 1.61 1.60 0.00 2.56 0.00 0.00 2.96 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.42 0.00 10 T 8.44 5.26 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 1.25 0.00 0.00 11 V 9.21 4.15 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 0.67 0.00 0.00 0.58 0.00 0.00 12 V 8.32 4.55 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 0.76 0.00 0.00 0.94 0.00 0.00 13 V 7.98 4.30 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 0.09 0.00 0.00 0.73 0.00 0.00 14 E 8.58 5.12 0.00 1.81 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 15 R 8.99 4.71 0.00 1.88 1.86 0.00 3.37 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 2.14 0.00 16 Q 8.69 4.74 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 17 I 8.75 4.45 1.99 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 1.24 0.65 0.95 0.00 0.00 18 S 8.22 4.76 0.00 3.74 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 H 7.56 4.92 0.00 3.08 3.13 0.00 5.71 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.47 0.00 2.44 2.20 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 21 P 0.00 4.38 0.00 2.17 2.16 0.00 3.89 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 22 E 8.17 4.72 0.00 2.08 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 2.41 2.29 0.00 23 K 8.01 3.95 0.00 1.85 1.93 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.50 7.81 24 L 7.87 3.89 0.00 1.81 1.82 0.63 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 25 W 8.64 4.09 0.00 3.57 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 26 R 8.15 3.88 0.00 2.11 1.98 0.00 3.34 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.96 0.00 27 A 7.67 4.08 1.22 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 0.00 0.00 28 L 7.18 4.35 0.00 1.17 1.11 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.07 4.22 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 0.20 0.00 0.00 30 Q 7.92 4.54 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 31 P 0.00 4.14 0.00 2.15 2.12 0.00 3.63 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.37 0.00 32 H 8.23 4.21 0.00 3.30 3.41 0.00 5.52 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.45 4.12 0.00 1.72 1.73 0.77 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.99 3.27 1.84 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.58 0.30 0.00 0.00 35 E 7.85 3.88 0.00 1.95 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 2.25 2.35 0.00 36 E 7.92 4.14 0.00 2.28 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 2.57 2.49 0.00 37 W 7.79 4.80 0.00 3.77 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 38 L 7.15 3.72 0.00 0.27 0.61 -0.29 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 *40 K 8.26 3.96 0.00 1.80 1.75 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.42 7.81 41 N 8.28 5.31 0.00 2.89 2.65 0.00 0.00 6.17 8.06 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 42 D 8.37 4.95 0.00 2.77 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 43 F 7.96 3.24 0.00 2.30 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 44 K 5.82 3.99 0.00 0.79 1.11 0.00 1.64 0.00 0.00 1.41 0.00 0.00 2.71 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.05 1.07 7.81 45 P 0.00 4.47 0.00 2.12 2.22 0.00 3.44 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.39 0.00 46 A 7.05 4.62 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 47 V 8.49 3.89 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 0.93 0.00 0.00 1.01 0.00 0.00 48 G 8.87 4.06 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 0.00 0.00 0.00 49 H 8.32 4.31 0.00 3.19 3.19 0.00 5.56 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 50 R 8.37 5.21 0.00 1.67 1.78 0.00 3.26 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.78 0.00 51 F 8.70 4.87 0.00 3.39 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 52 N 9.84 5.34 0.00 2.56 2.52 0.00 0.00 6.95 7.00 0.00 0.00 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 I 8.04 4.77 1.52 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.62 0.84 0.00 0.00 54 S 8.75 4.83 0.00 3.67 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 55 A 8.00 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.59 4.26 0.00 2.74 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 57 W 7.39 4.54 0.00 3.53 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 58 G 7.55 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 59 G 6.11 3.29 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 0.00 60 V 7.81 4.82 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 0.55 0.00 0.00 0.78 0.00 0.00 61 L 8.79 4.73 0.00 1.05 1.35 0.23 0.96 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 62 D 8.71 4.95 0.00 2.50 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 63 C 8.27 5.15 0.00 1.23 2.37 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 64 E 9.00 5.22 0.00 2.00 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 2.24 2.28 0.00 65 V 9.49 4.33 2.38 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 1.14 0.00 0.00 1.15 0.00 0.00 66 L 9.52 4.57 0.00 1.74 1.78 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.88 4.87 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 68 V 8.35 4.90 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 1.19 0.00 0.00 1.14 0.00 0.00 69 E 9.81 4.52 0.00 2.08 1.74 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 2.18 2.25 0.00 70 P 0.00 2.97 0.00 1.82 1.64 0.00 3.77 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 1.96 2.15 0.00 71 N 5.77 3.91 0.00 2.58 2.70 0.00 0.00 6.49 6.93 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 72 K 7.83 4.27 0.00 1.80 1.68 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.30 7.81 73 T 7.63 5.37 4.33 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 1.28 0.00 0.00 74 L 9.26 5.51 0.00 1.93 1.66 1.30 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 75 S 9.31 5.21 0.00 3.93 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 76 Y 8.54 5.66 0.00 3.46 3.41 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 77 T 9.18 4.91 4.35 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 1.31 0.00 0.00 78 W 9.26 5.34 0.00 3.29 3.32 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 79 N 9.23 5.33 0.00 2.69 2.75 0.00 0.00 6.27 6.72 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 80 L 8.99 4.67 0.00 1.63 1.55 1.07 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.66 4.91 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 82 H 9.27 4.80 0.00 3.30 3.30 0.00 5.59 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 83 Q 8.76 3.98 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 84 D 8.17 4.71 0.00 3.03 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 85 P 0.00 4.39 0.00 2.22 2.20 0.00 3.84 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 86 A 8.48 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 F 7.96 4.98 0.00 2.83 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 88 D 8.43 4.76 0.00 3.05 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.06 4.82 0.00 1.95 1.61 1.08 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.72 5.63 0.00 1.82 1.76 0.00 3.12 0.00 0.00 3.94 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 91 S 8.91 4.73 0.00 3.74 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.43 4.82 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 0.88 0.00 0.00 0.93 0.00 0.00 93 V 8.80 4.33 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 -0.15 0.00 0.00 0.07 0.00 0.00 94 T 8.01 4.78 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 1.16 0.00 0.00 95 F 9.48 4.95 0.00 2.93 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 96 T 8.94 5.03 4.29 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 1.26 0.00 0.00 97 L 9.20 5.05 0.00 1.66 1.66 1.16 1.04 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 98 T 8.87 4.53 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 1.21 0.00 0.00 99 P 0.00 4.86 0.00 1.93 2.00 0.00 3.62 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 100 T 9.05 4.76 4.25 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 1.34 0.00 0.00 101 P 0.00 4.23 0.00 2.06 2.17 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 102 T 7.92 4.49 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 1.21 0.00 0.00 103 G 6.32 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 0.00 0.00 0.00 0.00 104 T 8.65 5.06 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 1.29 0.00 0.00 105 H 9.43 4.86 0.00 3.33 3.31 0.00 5.53 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.87 5.15 0.00 1.75 1.51 1.07 0.16 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 0.00 107 R 8.35 5.48 0.00 1.98 1.78 0.00 3.33 0.00 0.00 3.44 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.37 0.00 *109 E 8.47 4.33 0.00 1.80 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 2.16 2.18 0.00 110 Q 9.09 4.79 0.00 1.73 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.60 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 111 S 8.76 4.92 0.00 3.90 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 0.00 112 G 8.94 3.87 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 0.00 0.00 0.00 113 F 8.02 4.52 0.00 3.41 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 0.00 114 R 9.48 4.42 0.00 1.93 1.95 0.00 3.15 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 115 P 0.00 4.20 0.00 2.15 2.17 0.00 3.77 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 1.99 1.96 0.00 116 D 8.03 4.55 0.00 2.78 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 0.00 117 Q 7.90 4.51 0.00 2.42 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 118 R 7.56 4.05 0.00 1.85 1.99 0.00 3.11 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 1.68 1.65 0.00 119 R 7.91 3.84 0.00 1.84 1.87 0.00 3.13 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 120 A 8.04 4.09 1.62 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 0.00 0.00 121 Y 7.91 2.92 0.00 2.93 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 0.00 122 G 7.99 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 0.00 123 G 8.13 3.74 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 0.00 0.00 0.00 124 A 7.88 4.37 1.49 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 0.00 125 K 7.49 3.72 0.00 1.62 1.67 0.00 1.50 0.00 0.00 1.38 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.57 1.00 7.81 *127 G 8.00 3.74 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 0.00 0.00 0.00 128 W 8.19 4.58 0.00 3.49 3.34 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 0.00 129 P 0.00 4.31 0.00 2.16 2.11 0.00 3.57 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 130 Q 7.97 4.00 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 131 F 8.09 4.72 0.00 3.78 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.38 4.02 0.00 3.42 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 0.00 133 E 8.60 4.03 0.00 2.28 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 2.36 2.47 0.00 134 K 8.33 4.23 0.00 2.32 2.07 0.00 1.86 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.91 1.83 7.81 135 L 8.27 3.78 0.00 1.00 1.48 -0.13 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.37 3.97 0.00 2.22 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 2.33 2.52 0.00 137 Q 8.30 4.08 0.00 2.33 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.63 2.40 0.00 138 L 7.93 3.94 0.00 1.97 1.96 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.67 3.92 0.00 1.58 1.16 0.77 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 140 D 8.06 4.57 0.00 2.92 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 0.00 141 R 8.12 3.92 0.00 1.86 2.14 0.00 3.27 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 142 T 7.79 4.35 4.25 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 1.26 0.00 0.00 143 D 7.43 4.65 0.00 2.93 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 0.00 144 L 8.49 4.19 0.00 1.69 1.59 0.93 0.85 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 * Residues marked with a * may have inaccurate shift predictions.