NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4062 8.3344 117.0998 58.0678 63.6038 173.1833 3 C 4.6712 8.2997 126.3479 54.4170 33.7068 169.0976 4 V 3.6753 9.1717 130.6201 65.0712 31.3750 177.8645 5 F 4.4521 8.0934 117.9703 60.5447 38.8053 177.2329 6 C 4.2045 8.3291 115.8067 62.7391 27.8815 175.8059 7 A 4.0298 8.3749 122.5380 55.2264 18.0059 179.7542 8 I 3.8119 8.0617 118.4281 64.6493 36.9921 178.8251 9 V 3.6343 7.8065 117.8831 66.0217 31.4524 177.5533 10 S 4.4437 8.1630 112.3633 58.6384 62.8877 175.1200 11 G 3.8999 7.8195 109.8237 46.1388 0.0000 174.0425 12 D 4.6788 8.3020 117.6397 54.0089 41.4342 176.3381 13 A 4.7675 7.4395 121.1640 49.3681 22.3008 174.1180 14 P 4.5023 0.0000 0.0000 62.8334 32.3853 175.6109 15 A 4.3970 7.9075 119.7373 51.3708 21.7774 176.1420 16 I 4.2341 8.1251 122.0296 60.4391 38.3234 175.0509 17 R 4.9988 8.5392 126.8525 55.0239 30.9703 176.5496 18 I 4.5877 9.1283 115.2030 60.8763 39.8375 174.9754 19 Y 4.7884 7.7704 123.5333 56.3470 42.2777 173.1997 20 E 4.9540 7.7522 125.9266 54.7133 32.7403 173.6790 21 D 4.7188 8.7055 126.5451 52.5370 42.4149 176.0598 22 E 4.2184 8.9983 113.5392 58.6875 29.8950 173.0721 23 N 4.7756 8.9482 113.9600 52.9475 40.9158 174.0579 24 F 5.4288 8.0033 116.7266 55.4813 43.8402 173.3995 25 L 5.2568 9.2976 124.1620 53.2997 45.1402 175.1015 26 G 4.6200 9.5537 113.7719 44.5984 0.0000 172.4653 27 I 5.2152 8.4983 118.6542 58.7045 41.4281 174.7914 28 L 4.6018 8.5948 124.1985 54.4600 42.1121 176.7671 29 D 4.5606 8.7267 123.9926 54.4422 41.4224 176.4489 30 I 3.9957 8.6317 119.5985 62.8490 38.7675 176.8048 31 R 4.7182 8.2641 119.4805 53.5527 29.5890 178.7431 32 P 4.5774 0.0000 0.0000 62.7177 32.4840 177.8743 33 F 4.1068 9.3175 120.8021 60.1793 39.5804 175.3583 34 T 4.7554 7.5952 108.2987 59.5642 71.7491 172.9745 35 R 4.1481 8.3464 121.5612 57.7329 30.3866 177.5598 36 G 3.8764 8.9671 110.4824 45.0291 0.0000 172.3708 37 H 4.4264 8.1106 120.3116 57.3580 30.8443 174.1064 38 T 5.1265 9.5083 122.5597 61.7252 72.3714 172.9713 39 L 5.0761 8.9930 124.5768 53.0261 44.6426 175.5121 40 V 4.5598 8.8471 124.5213 61.5637 33.3236 174.5328 41 I 4.7640 8.9744 129.1085 58.6915 39.9939 173.3853 42 P 4.6178 0.0000 0.0000 62.6360 31.2244 177.2843 43 K 4.1752 8.8522 123.9997 59.4772 32.6954 178.0218 44 T 4.0334 7.6832 116.7465 62.9818 69.0441 173.8170 45 H 4.0571 8.7705 126.5709 55.8475 29.3759 173.9871 46 T 4.6601 7.8199 116.1201 59.8829 72.0915 174.7882 47 V 3.9348 9.0033 121.4537 64.4616 32.5851 174.8769 48 D 4.6037 8.6561 117.5142 52.8432 41.3312 175.1642 49 L 4.2104 8.6100 118.4422 57.4622 41.7936 178.3981 50 T 4.1538 8.4675 109.4411 63.2064 69.0593 175.0612 51 D 4.8466 8.1088 117.9255 52.8495 40.6936 175.5300 52 T 4.3576 7.5524 117.8673 61.6726 69.6539 173.0432 53 P 4.3841 0.0000 0.0000 62.1858 32.2366 175.4395 54 P 4.3524 0.0000 0.0000 66.6149 31.2222 179.4332 55 E 4.0584 8.2331 116.4555 61.4860 29.4945 181.4550 56 T 4.3398 7.9096 115.8829 66.5551 68.5277 177.0965 57 V 3.5994 7.8511 119.4872 65.9159 31.6364 177.6711 58 A 4.0704 8.4578 121.0262 55.2455 18.2074 179.8779 59 G 3.5586 8.2717 104.2072 48.0558 0.0000 175.5798 60 M 3.1632 8.2594 120.6432 57.9810 32.1382 178.2106 61 A 3.8350 8.0450 120.7272 54.9894 18.5866 179.3192 62 A 3.8166 7.7401 119.2987 55.3865 18.4614 180.0432 63 V 3.2388 7.6168 116.8209 65.7939 31.4131 178.2901 64 G 3.5597 7.9505 105.6173 47.9102 0.0000 175.2878 65 Q 3.8862 8.1821 122.3181 58.7908 28.9732 178.3123 66 R 3.8078 7.7617 119.6144 59.5915 30.0873 178.6224 67 I 3.6453 7.6994 119.2927 64.1190 37.0917 178.2336 68 A 4.1364 8.1469 121.8287 55.3190 18.2668 179.9413 69 R 3.8443 8.2581 116.5281 59.2018 30.1209 179.1229 70 A 3.9499 8.2302 120.4805 55.1422 18.2790 179.3325 71 A 3.9602 8.4081 119.6531 55.6626 18.1966 180.1354 72 R 4.4302 7.6843 116.4471 58.5054 30.2388 178.2278 73 E 4.4249 7.8357 115.5738 55.7251 30.2980 176.3650 74 S 4.5982 7.4474 115.1050 56.6047 64.7185 175.2207 75 G 3.6433 8.3754 108.5288 47.5109 0.0000 174.7197 76 L 3.9995 7.6921 119.0913 55.7119 42.0070 176.4385 77 H 4.0887 8.0081 114.7567 56.3276 26.9578 175.1693 78 A 4.2106 7.7129 121.5427 52.9577 18.8880 178.3081 79 D 4.8729 9.0750 121.2414 53.5091 41.9982 176.1898 80 G 4.0449 7.3948 105.8568 46.8068 0.0000 171.4844 81 N 5.5595 7.8129 115.1053 52.0151 43.4079 173.6768 82 N 4.9333 9.2046 120.8281 52.2275 40.3518 174.0271 83 I 4.9365 8.3223 124.5019 59.7855 39.1905 175.0876 84 A 4.7167 8.8660 127.2289 50.2821 22.8796 174.7792 85 I 4.6413 8.3439 121.1857 59.6051 40.2985 175.2300 86 N 4.5310 8.8572 124.9531 51.7386 38.1597 174.2248 87 D 4.4632 8.3792 124.0242 55.2211 40.6566 176.7472 88 G 4.0876 9.2257 115.4525 45.8426 0.0000 173.4835 89 K 4.2132 9.3565 121.5023 56.7328 31.7767 179.5438 90 A 3.9927 8.1618 120.7265 54.4605 18.2886 177.6514 91 A 4.0799 7.8328 117.3632 52.1251 19.1530 177.6319 92 F 4.2809 7.9189 115.6124 59.0810 36.8241 175.0992 93 Q 4.0636 7.9216 123.3333 56.3270 29.2239 176.4656 94 T 4.3074 8.2042 113.1711 60.7351 70.7672 173.7195 95 V 3.8942 7.2843 121.6227 61.0583 33.1153 176.3381 96 F 4.5128 8.3812 130.3385 55.9372 37.7601 175.7026 97 H 4.8039 7.4481 118.9118 54.2733 33.1280 172.4049 98 I 4.1017 8.8443 128.9261 62.1668 38.3956 174.3116 99 H 5.0564 8.2505 121.8251 55.0026 31.4237 172.3130 100 L 4.9764 8.6183 120.4934 53.6827 45.4744 174.7733 101 H 5.2193 9.5930 123.3835 54.8367 31.0207 174.3922 102 V 4.6260 9.1814 122.7876 61.3062 33.9895 174.5551 103 V 4.6138 8.6586 129.9145 60.3967 32.8993 173.1370 104 P 5.0766 0.0000 0.0000 62.3009 32.1003 176.2732 105 R 4.9320 9.1345 121.5979 54.5502 34.5414 174.6622 106 R 5.1077 9.0816 119.5342 54.0009 34.5919 174.9820 107 N 4.4222 9.3639 120.1743 55.0269 37.4943 175.7088 108 G 3.9311 9.0060 110.3852 46.0548 0.0000 174.7472 109 D 4.2731 8.0103 119.6822 53.8148 39.6088 176.5708 110 K 3.8169 7.3918 117.0329 56.7231 30.3845 174.8495 111 L 3.9652 8.0769 119.8041 55.0885 42.4631 176.2205 112 S 4.5833 8.2213 119.3098 56.3085 65.2868 173.8745 113 F 4.2132 8.6869 125.0781 57.4236 38.4577 177.2579 *120 R 3.9666 8.2618 130.2811 56.9820 30.6200 172.3138 121 R 4.7925 7.5834 116.6330 54.4855 33.4577 176.2279 122 D 5.0452 8.1244 115.2294 52.4840 43.6520 175.1145 123 P 4.3324 0.0000 0.0000 65.8774 31.6858 176.3359 124 D 4.6409 8.6912 116.9207 52.1589 42.9645 175.4149 125 R 4.2113 8.1308 125.2522 58.1669 30.3436 177.9218 126 E 3.9429 8.1232 118.0410 59.2553 29.4141 178.8071 127 E 3.9031 8.4947 119.2944 59.4497 29.7754 178.7756 128 S 4.2110 8.2373 115.3549 61.7191 62.8413 177.1441 129 G 3.5943 8.3284 108.2017 47.8588 0.0000 175.7263 130 R 3.9499 8.0516 121.0536 59.0739 30.1436 179.1844 131 L 4.0129 8.1825 118.7179 57.7834 41.5451 179.6594 132 L 4.0125 8.0209 118.9256 57.8790 41.5648 179.7550 133 R 3.9311 8.4803 118.2641 59.0853 29.9733 179.0152 134 A 3.9729 8.1958 120.3924 55.1825 18.3847 179.5880 135 A 3.9984 8.0050 119.2877 55.2400 18.3321 179.8932 136 L 3.9651 8.3004 117.5850 57.8491 41.6849 179.5505 137 A 3.9866 8.2398 120.8846 54.9682 18.0578 179.3821 138 Q 3.8958 7.9265 117.1925 59.5308 28.9605 178.3590 139 L 4.1486 8.1149 119.9512 57.7934 41.3669 179.3580 140 D 4.3988 8.1686 118.2289 57.6254 40.9196 178.7742 141 S 4.2393 7.9520 113.9202 61.1714 62.8169 174.3598 142 A 4.1767 7.5251 127.4384 52.3317 18.1704 176.9225 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 S 8.33 4.41 0.00 3.65 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 3 C 8.30 4.67 0.00 3.06 2.84 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 4 V 9.17 3.68 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 0.64 0.00 0.00 1.03 0.00 0.00 5 F 8.09 4.45 0.00 2.91 2.84 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 6 C 8.33 4.20 0.00 3.23 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 7 A 8.37 4.03 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 8 I 8.06 3.81 2.02 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 1.43 1.10 0.86 0.00 0.00 9 V 7.81 3.63 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 0.85 0.00 0.00 1.02 0.00 0.00 10 S 8.16 4.44 0.00 3.95 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 11 G 7.82 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 12 D 8.30 4.68 0.00 2.68 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 13 A 7.44 4.77 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 14 P 0.00 4.50 0.00 2.19 2.06 0.00 3.82 0.00 0.00 3.67 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 15 A 7.91 4.40 1.18 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 0.00 0.00 16 I 8.13 4.23 1.86 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 1.44 0.72 0.91 0.00 0.00 17 R 8.54 5.00 0.00 1.68 1.85 0.00 3.13 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 18 I 9.13 4.59 1.91 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 1.15 0.77 0.93 0.00 0.00 19 Y 7.77 4.79 0.00 3.02 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 20 E 7.75 4.95 0.00 1.82 1.59 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 2.10 2.25 0.00 21 D 8.71 4.72 0.00 2.94 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 22 E 9.00 4.22 0.00 2.01 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 2.23 1.91 0.00 23 N 8.95 4.78 0.00 2.45 2.09 0.00 0.00 6.65 8.13 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 24 F 8.00 5.43 0.00 3.32 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 25 L 9.30 5.26 0.00 1.75 1.49 0.93 0.95 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 26 G 9.55 4.62 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 0.00 27 I 8.50 5.22 1.87 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.72 0.83 0.00 0.00 28 L 8.59 4.60 0.00 1.53 1.64 0.96 1.24 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 29 D 8.73 4.56 0.00 2.45 2.39 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 30 I 8.63 4.00 1.87 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 1.31 0.73 0.92 0.00 0.00 31 R 8.26 4.72 0.00 1.77 1.73 0.00 3.27 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.39 0.00 32 P 0.00 4.58 0.00 2.36 2.12 0.00 3.84 0.00 0.00 3.76 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 33 F 9.32 4.11 0.00 3.13 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 34 T 7.60 4.76 4.27 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 1.25 0.00 0.00 35 R 8.35 4.15 0.00 1.83 1.92 0.00 3.21 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.63 0.00 36 G 8.97 3.88 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 0.00 0.00 0.00 37 H 8.11 4.43 0.00 3.54 3.28 0.00 5.54 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 9.51 5.13 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 1.24 0.00 0.00 39 L 8.99 5.08 0.00 1.29 1.37 0.78 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.85 4.56 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 0.80 0.00 0.00 41 I 8.97 4.76 1.78 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.46 0.84 0.00 0.00 42 P 0.00 4.62 0.00 2.16 1.94 0.00 4.08 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.50 0.00 43 K 8.85 4.18 0.00 1.52 1.85 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.42 7.81 44 T 7.68 4.03 4.20 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 1.20 0.00 0.00 45 H 8.77 4.06 0.00 3.11 3.25 0.00 5.86 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 46 T 7.82 4.66 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 1.24 0.00 0.00 47 V 9.00 3.93 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 1.03 0.00 0.00 1.06 0.00 0.00 48 D 8.66 4.60 0.00 3.06 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 0.00 49 L 8.61 4.21 0.00 1.90 1.77 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.47 4.15 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 1.22 0.00 0.00 51 D 8.11 4.85 0.00 2.77 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 52 T 7.55 4.36 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 53 P 0.00 4.38 0.00 2.20 1.99 0.00 3.63 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 54 P 0.00 4.35 0.00 2.17 2.12 0.00 3.62 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 55 E 8.23 4.06 0.00 1.97 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 2.32 1.98 0.00 56 T 7.91 4.34 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 1.35 0.00 0.00 57 V 7.85 3.60 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 1.05 0.00 0.00 1.01 0.00 0.00 58 A 8.46 4.07 1.39 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 59 G 8.27 3.56 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 0.00 60 M 8.26 3.16 0.00 2.16 2.24 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 2.54 2.49 0.00 61 A 8.05 3.83 1.34 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 0.00 0.00 62 A 7.74 3.82 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 63 V 7.62 3.24 1.66 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 0.20 0.00 0.00 0.57 0.00 0.00 64 G 7.95 3.56 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 0.00 65 Q 8.18 3.89 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 66 R 7.76 3.81 0.00 1.82 1.86 0.00 3.15 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 67 I 7.70 3.65 1.90 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.21 0.88 0.00 0.00 68 A 8.15 4.14 1.36 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 69 R 8.26 3.84 0.00 2.00 1.98 0.00 3.11 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 70 A 8.23 3.95 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 71 A 8.41 3.96 1.39 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 72 R 7.68 4.43 0.00 2.02 2.01 0.00 3.11 0.00 0.00 3.07 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 73 E 7.84 4.42 0.00 1.97 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 2.31 2.43 0.00 74 S 7.45 4.60 0.00 4.12 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 0.00 75 G 8.38 3.64 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 0.00 0.00 0.00 76 L 7.69 4.00 0.00 1.68 1.73 0.98 1.03 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 77 H 8.01 4.09 0.00 3.29 3.33 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.71 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 79 D 9.07 4.87 0.00 2.51 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 80 G 7.39 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 0.00 0.00 0.00 81 N 7.81 5.56 0.00 2.60 2.66 0.00 0.00 6.77 6.92 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 82 N 9.20 4.93 0.00 2.78 2.66 0.00 0.00 6.82 8.00 0.00 0.00 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 I 8.32 4.94 1.83 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 1.25 0.77 0.87 0.00 0.00 84 A 8.87 4.72 1.05 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 85 I 8.34 4.64 1.85 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 1.33 0.70 0.94 0.00 0.00 86 N 8.86 4.53 0.00 2.71 2.95 0.00 0.00 7.02 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 87 D 8.38 4.46 0.00 2.59 2.59 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 88 G 9.23 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 89 K 9.36 4.21 0.00 1.69 1.86 0.00 1.88 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.00 7.81 90 A 8.16 3.99 1.25 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 0.00 0.00 91 A 7.83 4.08 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 92 F 7.92 4.28 0.00 3.26 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 93 Q 7.92 4.06 0.00 2.22 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.67 0.00 0.00 0.00 0.00 0.00 1.45 2.05 0.00 94 T 8.20 4.31 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 1.30 0.00 0.00 95 V 7.28 3.89 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 -0.39 0.00 0.00 0.59 0.00 0.00 96 F 8.38 4.51 0.00 3.12 3.05 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 97 H 7.45 4.80 0.00 3.12 3.14 0.00 5.76 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.84 4.10 1.91 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 1.35 0.86 1.04 0.00 0.00 99 H 8.25 5.06 0.00 3.30 3.42 0.00 5.52 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.62 4.98 0.00 1.70 1.47 0.86 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 101 H 9.59 5.22 0.00 3.05 3.25 0.00 5.61 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 0.00 102 V 9.18 4.63 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 0.80 0.00 0.00 0.89 0.00 0.00 103 V 8.66 4.61 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 1.09 0.00 0.00 0.80 0.00 0.00 104 P 0.00 5.08 0.00 2.11 1.98 0.00 3.77 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.98 0.00 105 R 9.13 4.93 0.00 1.67 1.77 0.00 3.21 0.00 0.00 3.35 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 106 R 9.08 5.11 0.00 1.70 1.77 0.00 3.15 0.00 0.00 3.40 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 107 N 9.36 4.42 0.00 2.66 2.77 0.00 0.00 6.99 7.53 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 0.00 108 G 9.01 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 0.00 109 D 8.01 4.27 0.00 2.79 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 0.00 110 K 7.39 3.82 0.00 1.89 1.88 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.49 7.81 111 L 8.08 3.97 0.00 1.54 1.35 0.87 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.22 4.58 0.00 3.97 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 0.00 113 F 8.69 4.21 0.00 2.95 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 *120 R 8.26 3.97 0.00 1.85 1.83 0.00 3.20 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 121 R 7.58 4.79 0.00 1.77 1.69 0.00 3.17 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.13 0.00 122 D 8.12 5.05 0.00 2.65 2.49 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 0.00 123 P 0.00 4.33 0.00 2.21 2.17 0.00 3.85 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 124 D 8.69 4.64 0.00 2.60 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.13 4.21 0.00 1.89 1.96 0.00 3.46 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.58 0.00 126 E 8.12 3.94 0.00 2.10 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 2.40 2.31 0.00 127 E 8.49 3.90 0.00 2.21 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 2.30 2.35 0.00 128 S 8.24 4.21 0.00 4.08 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 0.00 129 G 8.33 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 0.00 0.00 0.00 130 R 8.05 3.95 0.00 2.03 2.01 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 131 L 8.18 4.01 0.00 1.82 1.70 0.89 0.88 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 0.00 132 L 8.02 4.01 0.00 1.85 1.73 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.48 3.93 0.00 1.83 1.99 0.00 3.13 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.82 0.00 134 A 8.20 3.97 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 0.00 135 A 8.00 4.00 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 0.00 136 L 8.30 3.97 0.00 1.92 1.82 1.08 0.82 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 0.00 137 A 8.24 3.99 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 0.00 138 Q 7.93 3.90 0.00 2.08 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 139 L 8.11 4.15 0.00 1.91 1.72 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 140 D 8.17 4.40 0.00 2.87 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 0.00 141 S 7.95 4.24 0.00 3.86 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 0.00 142 A 7.53 4.18 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 * Residues marked with a * may have inaccurate shift predictions.