NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4193 8.1633 120.3479 55.5381 34.4506 177.3555 2 V 3.4425 7.7099 112.3740 64.1180 31.2331 176.7770 3 R 4.0831 8.0956 116.8630 58.3968 30.2997 178.4513 4 R 3.9215 7.7065 119.4380 59.2471 30.2981 178.1351 5 I 3.8699 7.8238 112.5994 64.0107 37.6285 177.9916 6 E 3.9797 8.0823 120.0410 59.0901 29.1548 178.7206 7 D 4.3761 7.7191 117.8059 57.3723 41.3225 177.9616 8 H 4.3578 8.0828 116.8191 58.9346 28.6654 177.7901 9 I 3.7333 8.1808 121.8518 64.6585 37.1285 178.6624 10 S 4.1321 8.1796 115.8990 61.5335 62.5569 176.6489 11 F 4.1048 8.7406 123.7767 61.2105 39.1801 176.9973 12 L 3.6732 8.5799 120.3543 58.0821 41.8754 178.7506 13 E 4.0008 8.3869 118.7937 59.2495 29.3511 179.2742 14 K 3.9333 7.8556 119.3923 59.1820 32.1891 178.7817 15 F 4.0959 7.8904 121.2886 61.2379 39.2235 177.2429 16 I 3.4810 8.1871 119.9237 64.3885 36.8638 178.2292 17 N 4.2861 8.0564 117.3411 56.3749 38.4801 177.2956 18 D 4.4424 8.1655 120.3485 56.9884 40.7226 179.0664 19 V 3.3925 7.4992 119.1098 65.8562 31.4348 177.8322 20 N 4.2615 8.1368 116.3223 56.7273 38.2498 177.5665 21 T 3.8279 8.2868 117.5163 66.4365 68.4940 176.5448 22 L 3.9863 7.7979 121.9333 58.1183 42.1861 179.0869 23 T 3.7974 8.1575 115.7928 66.5095 68.3028 176.2874 24 A 4.0015 8.1019 122.7394 55.2811 18.1691 179.7896 25 K 3.9276 7.5454 115.3968 59.6999 32.2779 179.3625 26 L 4.2144 7.9176 117.1157 56.3028 41.8572 178.2294 27 L 4.6658 7.4421 117.1248 53.8410 42.4445 177.8068 28 K 3.8694 7.7851 121.8621 59.9052 32.1299 178.3667 29 D 4.3869 8.0694 118.4697 57.1184 40.7882 178.3875 30 L 4.0787 7.9063 120.3217 58.4981 42.2371 178.9116 31 Q 4.0861 8.1876 117.9460 59.1345 28.5726 178.9642 32 T 3.8967 8.0987 117.0869 66.6908 68.4138 176.4458 33 E 4.1875 8.7475 117.5210 58.4776 29.7624 177.4487 34 Y 4.3749 7.8263 116.1229 56.6116 38.4804 175.5493 35 G 3.9801 8.0034 108.0243 46.3956 0.0000 173.7315 36 I 4.5131 7.9673 112.0458 58.2160 40.3699 175.7316 37 S 4.5500 8.1575 116.7241 57.0852 65.8203 175.0360 38 A 3.9945 8.3823 123.2252 55.4992 17.9046 179.5222 39 E 3.9135 8.1837 116.4093 59.9504 29.5752 179.6572 40 Q 4.0105 7.8079 116.8928 58.7248 28.6639 178.6642 41 S 4.0545 8.0982 114.5615 61.5764 62.5191 175.6975 42 H 4.1665 8.4759 121.0609 59.0226 29.6562 177.5144 43 V 3.6452 7.6738 120.4954 65.8987 31.4433 178.0452 44 L 4.0293 7.9010 118.8696 57.7998 41.2257 178.9853 45 N 4.3555 8.1975 116.2178 56.8698 38.9452 176.5719 46 M 4.2006 7.8204 119.8558 58.0478 31.8971 178.0607 47 L 4.6955 7.9312 118.0892 55.4656 42.0967 178.7061 48 S 4.3157 7.7649 113.7721 60.0298 63.1491 175.4402 49 I 4.2049 7.2536 116.2661 61.3835 38.9411 175.7496 50 E 4.6429 7.3052 116.8137 53.5999 32.4801 173.8637 51 A 4.2678 8.5638 123.6435 52.3568 19.0501 176.6042 52 L 4.9207 8.6288 120.8841 53.3236 46.6935 175.6366 53 T 4.6579 8.1573 116.1822 61.5084 71.6249 175.7838 54 V 3.6745 8.6851 122.3187 66.3392 31.1849 178.6127 55 G 3.5630 7.9990 104.7787 47.8354 0.0000 175.4229 56 Q 4.1166 8.0069 120.7068 58.6749 28.8570 178.7119 57 I 3.6963 7.7922 120.6080 64.9749 37.1916 178.5303 58 T 3.8932 7.9701 116.1897 66.5746 68.0341 176.4497 59 E 3.9477 7.7485 118.7952 59.5292 29.6442 179.3613 60 K 4.1753 7.7696 116.8881 59.2290 32.2762 178.9274 61 Q 4.1361 9.0331 118.0937 57.2133 28.7007 179.7547 62 G 3.9350 5.9804 114.6119 46.7598 0.0000 173.7032 63 V 3.9638 8.0506 110.0998 61.7477 29.6593 175.9035 64 N 5.0101 7.6707 121.8707 51.2162 41.2527 175.3899 65 K 3.9785 8.0619 122.0939 58.7044 32.8303 177.3001 66 A 4.2955 7.8061 119.9169 54.2680 19.6621 178.8280 67 A 4.0032 7.9969 118.6937 55.2265 18.2382 179.9133 68 V 3.5789 7.6564 116.3103 66.0889 31.7407 178.3039 69 S 4.1353 7.5574 113.5433 61.7280 62.5644 176.9557 70 R 3.8848 8.6342 120.8280 59.4906 29.9890 179.1884 71 R 3.8902 7.9400 117.6901 59.4282 29.9424 179.4376 72 V 3.6146 7.9865 117.9558 65.9057 31.5101 178.3155 73 K 3.9736 8.1434 118.2654 59.3868 31.8353 179.5243 74 K 4.0113 8.4244 119.2114 59.3699 31.8750 179.4152 75 L 4.0645 7.7513 118.9131 57.4711 41.4385 179.5199 76 L 3.9751 8.1698 119.5118 57.8162 41.3973 179.0176 77 N 4.3166 8.4220 115.9275 56.0041 38.9467 175.7702 78 A 4.3356 7.5653 119.2310 51.1282 19.2315 176.6857 79 E 3.8150 8.1199 116.0280 57.4844 27.7072 175.3478 80 L 4.5176 8.0370 118.9998 55.5528 43.0921 176.4845 81 V 5.0784 7.5446 117.2281 61.2909 35.4822 173.5745 82 K 4.6795 9.3714 121.4693 55.9967 36.2070 174.5182 83 L 5.9620 8.3207 119.4528 52.6533 44.1865 176.4630 84 E 4.3909 8.6278 117.8033 57.0200 32.2824 176.6823 *94 L 4.1376 7.6368 116.1479 54.4077 42.8022 175.9435 95 K 4.6670 7.6926 119.5755 54.6091 35.3616 177.0810 96 I 4.0573 7.9417 121.9950 60.9033 36.7793 173.7863 97 I 4.6525 8.2669 125.8756 59.8033 37.5002 174.5278 98 K 4.8543 8.8052 128.4654 53.9884 35.6663 174.7357 99 L 4.6664 8.3622 122.6003 54.4794 42.6982 177.3268 100 S 4.5774 8.3520 117.0748 57.2660 65.3254 174.7932 101 N 4.3681 8.7857 116.3621 56.3939 38.1810 177.4478 102 K 4.2563 8.1308 120.7025 59.1258 32.3995 178.9099 103 G 3.7771 7.9923 105.5704 47.1192 0.0000 176.0595 104 K 4.0470 7.8526 120.9351 59.3235 32.1308 179.3689 105 K 3.9781 8.1554 118.8493 59.5768 31.9705 178.6184 106 Y 3.5633 7.9158 119.0973 60.7466 38.6711 178.2553 107 I 3.3980 7.8465 120.6065 64.2570 37.1769 178.6175 108 K 3.9415 8.3839 119.7062 59.4986 31.4890 179.1968 109 E 4.0116 8.1661 118.4548 58.5210 29.4178 179.4267 110 R 3.6419 7.4689 119.3116 59.0936 30.1781 178.3391 111 K 3.7957 8.1660 118.4446 59.6532 32.2891 179.1057 112 A 4.1287 7.9186 120.6595 55.2777 18.2391 179.7946 113 I 3.8255 7.4311 117.9206 64.5666 37.0931 178.4955 114 M 4.0372 7.9466 119.3676 58.4744 31.9511 178.3995 115 S 4.0161 8.4507 113.5925 61.9888 62.4286 176.0840 116 H 4.1336 7.8616 119.5756 59.3089 29.5279 177.3077 117 I 3.7867 7.1646 112.0430 63.2029 37.7999 177.7124 118 A 4.0335 8.2255 123.5299 55.0094 18.2040 179.2342 119 S 3.8973 8.0203 111.6118 61.8975 62.2950 176.2370 120 D 4.3660 7.5936 119.5456 57.2588 40.5946 177.9838 121 M 4.3125 7.5284 116.9865 56.7450 32.5382 176.4312 122 T 3.6759 7.3312 107.2785 60.6893 69.7301 175.5546 123 S 4.0238 8.2189 118.3469 61.4294 62.6680 174.8645 124 D 4.7164 8.0121 117.5989 53.5066 40.0656 176.7095 125 F 4.3430 8.3580 119.7686 57.6001 39.6295 174.7332 126 D 4.6833 8.5983 123.4851 53.3661 42.1895 177.5480 127 S 4.2565 8.8350 122.8233 61.4995 62.6886 176.6571 128 K 4.0543 8.5604 122.6014 59.2189 31.7635 179.1727 129 E 3.9933 8.2924 118.5211 59.3965 29.5347 179.0911 130 I 3.7690 7.8286 119.9072 64.4412 37.2686 178.0359 131 E 3.9576 8.2567 120.0965 59.2593 29.5459 179.1236 132 K 4.0084 7.8696 118.6738 59.3043 32.1387 179.5463 133 V 3.5736 7.8277 118.6068 66.0497 31.4139 178.0193 134 R 3.9532 8.6813 118.7498 59.6015 29.8293 178.5464 135 Q 3.9827 8.0453 117.5027 58.7069 28.7191 178.7235 136 V 3.5909 7.7061 118.9861 66.1077 31.5704 178.2145 137 L 4.0967 8.0729 118.6053 57.5316 41.3361 179.3974 138 E 4.0143 8.3762 119.0495 59.5514 29.4062 179.3562 139 I 3.8364 7.9357 119.8214 64.5089 37.0373 178.6414 140 I 3.8064 7.8494 120.7065 64.2050 36.8949 177.9693 141 D 4.3329 8.5949 119.5100 57.5008 41.0922 177.6216 142 Y 4.0512 8.4727 120.5032 60.8940 38.7398 178.3611 143 R 4.0146 8.3585 118.9694 58.8560 30.0711 179.1593 144 I 3.7200 8.1211 120.2931 64.5441 37.2666 178.4651 145 Q 3.9773 8.1539 118.9458 58.8958 28.3758 178.7950 146 S 3.9078 7.8280 114.2396 61.4744 62.2023 175.6457 147 Y 3.8866 8.2431 122.3865 60.8488 38.3155 177.7211 148 T 3.9671 8.2351 116.3862 66.6312 68.5603 176.4915 149 S 4.2131 7.7004 115.8983 62.1107 63.0030 176.1042 150 K 3.7315 7.2389 118.8084 59.0030 31.8227 176.9269 151 L 4.0143 7.5299 123.7237 55.3472 42.9665 175.5380 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 M 8.16 4.42 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 2 V 7.71 3.44 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 0.93 0.00 0.00 0.93 0.00 0.00 3 R 8.10 4.08 0.00 1.84 1.96 0.00 3.11 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 4 R 7.71 3.92 0.00 1.90 2.03 0.00 3.20 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 5 I 7.82 3.87 1.90 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 1.53 1.07 0.95 0.00 0.00 6 E 8.08 3.98 0.00 2.17 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 2.34 2.32 0.00 7 D 7.72 4.38 0.00 2.91 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 8 H 8.08 4.36 0.00 3.47 3.37 0.00 5.68 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 9 I 8.18 3.73 2.10 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 1.72 0.87 0.96 0.00 0.00 10 S 8.18 4.13 0.00 4.06 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 11 F 8.74 4.10 0.00 3.19 3.39 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 12 L 8.58 3.67 0.00 1.93 1.68 1.02 1.06 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 13 E 8.39 4.00 0.00 2.18 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 2.32 2.55 0.00 14 K 7.86 3.93 0.00 1.82 1.80 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.41 7.81 15 F 7.89 4.10 0.00 2.32 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 16 I 8.19 3.48 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.56 0.86 0.00 0.00 17 N 8.06 4.29 0.00 2.74 2.82 0.00 0.00 7.04 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.17 4.44 0.00 2.69 2.66 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 0.00 0.00 0.00 0.00 19 V 7.50 3.39 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 0.94 0.00 0.00 0.13 0.00 0.00 20 N 8.14 4.26 0.00 2.85 2.81 0.00 0.00 7.07 6.60 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 21 T 8.29 3.83 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 1.19 0.00 0.00 22 L 7.80 3.99 0.00 1.76 1.77 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.16 3.80 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 1.19 0.00 0.00 24 A 8.10 4.00 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 25 K 7.55 3.93 0.00 1.81 1.89 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 26 L 7.92 4.21 0.00 1.62 1.72 0.94 0.78 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 27 L 7.44 4.67 0.00 1.69 1.69 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.79 3.87 0.00 1.92 1.83 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 29 D 8.07 4.39 0.00 2.76 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 30 L 7.91 4.08 0.00 1.80 1.90 0.99 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.19 4.09 0.00 2.40 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 32 T 8.10 3.90 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 1.24 0.00 0.00 33 E 8.75 4.19 0.00 2.11 2.36 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 2.69 2.51 0.00 34 Y 7.83 4.37 0.00 2.97 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 35 G 8.00 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 36 I 7.97 4.51 1.75 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.64 0.84 0.00 0.00 37 S 8.16 4.55 0.00 4.17 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 38 A 8.38 3.99 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 39 E 8.18 3.91 0.00 2.05 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 2.39 2.45 0.00 40 Q 7.81 4.01 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 41 S 8.10 4.05 0.00 3.90 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.48 4.17 0.00 3.25 3.42 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.67 3.65 2.26 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 0.98 0.00 0.00 1.01 0.00 0.00 44 L 7.90 4.03 0.00 1.96 1.80 0.68 0.62 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 45 N 8.20 4.36 0.00 2.82 2.87 0.00 0.00 7.29 7.17 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 46 M 7.82 4.20 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.52 0.00 47 L 7.93 4.70 0.00 1.67 1.72 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.76 4.32 0.00 4.03 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 49 I 7.25 4.20 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 1.79 0.67 0.90 0.00 0.00 50 E 7.31 4.64 0.00 2.11 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 0.00 2.26 2.30 0.00 51 A 8.56 4.27 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 52 L 8.63 4.92 0.00 1.53 1.52 0.93 1.06 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 53 T 8.16 4.66 4.61 0.00 0.00 0.00 0.00 0.00 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 54 V 8.69 3.67 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 1.05 0.00 0.00 0.93 0.00 0.00 55 G 8.00 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 56 Q 8.01 4.12 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 57 I 7.79 3.70 1.88 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 1.53 0.68 0.92 0.00 0.00 58 T 7.97 3.89 4.39 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 1.27 0.00 0.00 59 E 7.75 3.95 0.00 2.08 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 2.58 0.00 60 K 7.77 4.18 0.00 1.76 1.89 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.59 7.81 61 Q 9.03 4.14 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 62 G 5.98 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 63 V 8.05 3.96 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 0.74 0.00 0.00 0.93 0.00 0.00 64 N 7.67 5.01 0.00 2.70 2.69 0.00 0.00 6.64 6.91 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 65 K 8.06 3.98 0.00 1.86 1.80 0.00 1.59 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.56 7.81 66 A 7.81 4.30 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 67 A 8.00 4.00 1.32 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 0.00 0.00 68 V 7.66 3.58 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 1.03 0.00 0.00 0.99 0.00 0.00 69 S 7.56 4.14 0.00 4.12 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 70 R 8.63 3.88 0.00 1.95 1.96 0.00 3.14 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 71 R 7.94 3.89 0.00 2.00 1.99 0.00 3.11 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 72 V 7.99 3.61 2.26 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 1.12 0.00 0.00 0.96 0.00 0.00 73 K 8.14 3.97 0.00 2.06 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.55 7.81 74 K 8.42 4.01 0.00 1.93 1.84 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.71 7.81 75 L 7.75 4.06 0.00 1.86 1.70 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.17 3.98 0.00 1.86 1.71 0.92 0.73 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 77 N 8.42 4.32 0.00 2.68 3.05 0.00 0.00 7.21 7.57 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 78 A 7.57 4.34 1.35 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 0.00 0.00 0.00 79 E 8.12 3.82 0.00 2.12 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 2.24 2.39 0.00 80 L 8.04 4.52 0.00 1.59 1.69 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.54 5.08 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 0.93 0.00 0.00 0.93 0.00 0.00 82 K 9.37 4.68 0.00 1.78 1.86 0.00 1.32 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.43 7.81 83 L 8.32 5.96 0.00 1.52 1.59 0.92 0.98 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 84 E 8.63 4.39 0.00 1.90 1.93 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 2.20 2.23 0.00 *94 L 7.64 4.14 0.00 1.66 1.64 0.92 0.80 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 95 K 7.69 4.67 0.00 1.76 1.68 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.36 7.81 96 I 7.94 4.06 2.09 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 1.35 0.56 0.91 0.00 0.00 97 I 8.27 4.65 2.19 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 1.11 1.74 0.91 0.00 0.00 98 K 8.81 4.85 0.00 1.81 1.64 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.38 7.81 99 L 8.36 4.67 0.00 1.59 1.60 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.35 4.58 0.00 3.91 4.18 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 0.00 101 N 8.79 4.37 0.00 2.78 2.94 0.00 0.00 6.47 7.14 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 0.00 102 K 8.13 4.26 0.00 1.88 1.86 0.00 1.73 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.67 1.64 7.81 103 G 7.99 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.85 4.05 0.00 1.96 1.88 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.50 7.81 105 K 8.16 3.98 0.00 2.14 2.00 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.79 7.81 106 Y 7.92 3.56 0.00 2.65 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.85 3.40 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.75 0.85 0.00 0.00 108 K 8.38 3.94 0.00 1.80 1.82 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.65 1.62 7.81 109 E 8.17 4.01 0.00 1.95 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 2.33 2.30 0.00 110 R 7.47 3.64 0.00 1.25 1.74 0.00 2.97 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 111 K 8.17 3.80 0.00 1.73 1.80 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.53 7.81 112 A 7.92 4.13 1.35 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 0.00 0.00 0.00 113 I 7.43 3.83 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.91 0.89 0.00 0.00 114 M 7.95 4.04 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.80 0.00 115 S 8.45 4.02 0.00 3.80 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 0.00 116 H 7.86 4.13 0.00 3.47 3.45 0.00 5.83 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.16 3.79 1.84 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 1.43 0.75 0.92 0.00 0.00 118 A 8.23 4.03 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 0.00 119 S 8.02 3.90 0.00 4.00 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 0.00 120 D 7.59 4.37 0.00 2.60 2.67 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 0.00 121 M 7.53 4.31 0.00 1.97 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 122 T 7.33 3.68 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 123 S 8.22 4.02 0.00 3.99 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.01 4.72 0.00 2.88 2.90 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 0.00 125 F 8.36 4.34 0.00 2.91 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 0.00 126 D 8.60 4.68 0.00 2.70 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 0.00 127 S 8.84 4.26 0.00 4.11 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.56 4.05 0.00 2.13 1.90 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.48 7.81 129 E 8.29 3.99 0.00 2.13 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 2.38 2.61 0.00 130 I 7.83 3.77 1.95 0.00 0.00 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 1.76 1.26 0.98 0.00 0.00 131 E 8.26 3.96 0.00 2.08 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 0.00 2.31 2.36 0.00 132 K 7.87 4.01 0.00 1.91 1.83 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.58 7.81 133 V 7.83 3.57 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 1.01 0.00 0.00 0.91 0.00 0.00 134 R 8.68 3.95 0.00 1.97 2.20 0.00 3.22 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 135 Q 8.05 3.98 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 136 V 7.71 3.59 2.25 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 1.02 0.00 0.00 0.94 0.00 0.00 137 L 8.07 4.10 0.00 1.78 1.74 0.95 0.74 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 0.00 138 E 8.38 4.01 0.00 2.19 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 2.60 0.00 139 I 7.94 3.84 2.04 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 1.49 0.70 0.96 0.00 0.00 140 I 7.85 3.81 2.02 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 1.43 0.94 0.93 0.00 0.00 141 D 8.59 4.33 0.00 2.91 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 0.00 142 Y 8.47 4.05 0.00 3.17 3.19 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 0.00 143 R 8.36 4.01 0.00 2.08 2.01 0.00 3.35 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.99 0.00 144 I 8.12 3.72 2.05 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 1.51 0.84 0.93 0.00 0.00 145 Q 8.15 3.98 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 146 S 7.83 3.91 0.00 3.37 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 0.00 147 Y 8.24 3.89 0.00 3.25 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 0.00 148 T 8.24 3.97 4.41 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 1.23 0.00 0.00 149 S 7.70 4.21 0.00 4.03 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 0.00 150 K 7.24 3.73 0.00 1.46 1.56 0.00 1.52 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.44 7.81 151 L 7.53 4.01 0.00 1.38 1.41 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.