NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5437 8.3049 120.2819 55.1784 33.7279 174.8993 2 Q 4.2129 8.2611 117.5009 54.7747 30.0187 174.5638 3 H 4.5207 9.5753 121.2165 56.4922 30.9377 174.0129 4 L 5.1478 8.7965 122.1619 53.6156 43.3697 175.6817 5 V 4.8518 9.3208 125.8139 61.1900 33.9413 174.3122 6 L 5.3341 9.1207 129.6182 53.5796 43.3084 175.9070 7 I 4.9672 9.7421 117.6266 57.6496 41.1472 176.1249 8 G 3.9143 8.1966 109.9993 44.6530 0.0000 172.0577 9 F 4.3869 7.9216 117.7920 56.7689 39.6492 175.0354 10 M 4.1930 8.6840 123.2047 57.5283 32.3107 176.7383 11 G 4.0063 9.0163 113.2184 45.6556 0.0000 174.2716 12 S 4.2061 7.8615 113.8074 59.4403 63.5224 175.2948 13 G 4.1035 8.5045 109.8504 45.4082 0.0000 175.1597 14 K 3.9151 8.4456 120.7916 59.5973 32.0177 179.1674 15 S 4.1466 8.0329 114.5627 61.7395 62.8515 176.8646 16 S 4.0952 7.9758 117.2766 61.4296 62.6669 176.2117 17 L 3.8915 8.1249 122.9080 58.1901 41.7645 178.7023 18 A 3.9988 8.4014 121.0542 55.3660 18.2383 179.4548 19 Q 3.8838 8.0628 117.7997 59.3583 29.1448 178.2489 20 E 3.9610 8.2036 119.6739 59.3114 29.4235 179.3549 21 L 4.0237 8.4101 119.6230 57.5991 41.7088 179.5374 22 G 3.7282 8.2113 105.8119 48.0011 0.0000 175.6249 23 L 3.9842 8.0558 121.4846 57.4177 41.4428 179.5917 24 A 4.0456 8.0004 119.5051 54.4057 18.4276 178.6916 25 L 4.3392 7.9616 114.4422 53.3352 42.9117 176.4681 26 K 3.8392 7.5421 116.7098 57.9540 30.0966 174.2921 27 L 4.8927 7.6678 115.8595 52.7074 45.4757 177.7607 28 E 4.3210 8.4552 119.5794 56.2735 31.0640 175.8867 29 V 5.0254 8.2698 121.2234 61.2424 34.3456 174.6508 30 L 4.9741 9.1198 126.3027 52.9373 46.3740 174.7625 31 D 5.4821 8.7026 120.7073 51.5279 43.5919 176.7755 32 T 3.9419 9.1903 117.9440 64.9969 68.8001 176.5486 33 D 4.5416 8.2318 121.2823 57.4914 40.8941 178.4436 34 M 4.0917 8.6565 119.2891 58.3540 31.9532 178.8458 35 I 3.6775 7.9351 119.8894 64.4567 37.2519 178.4744 36 I 3.6031 7.7343 120.4591 64.4681 36.5077 178.4706 37 S 4.4299 8.3090 115.4228 60.8899 62.0121 175.7548 38 E 3.9775 8.1518 120.9831 59.2331 29.4215 178.8600 39 R 3.9667 7.7454 117.0147 59.4392 30.3220 179.0411 40 V 3.6192 7.6434 116.8370 63.7340 31.4548 176.7954 41 G 3.9180 8.7489 105.6919 45.6363 0.0000 172.8325 42 L 4.9358 7.4683 117.9666 51.4231 45.5606 176.5690 43 S 4.4603 8.9199 118.9901 57.5378 64.8739 175.7758 44 V 3.5202 8.3779 121.6649 66.3987 31.2155 177.8477 45 R 4.0179 8.1491 117.6650 59.9273 29.7225 178.0911 46 E 4.0833 8.3833 118.0477 59.2919 29.3204 179.4917 47 I 3.7812 8.0383 120.2811 64.3763 37.0009 178.3793 48 F 4.1154 8.1123 118.5863 60.7281 38.5241 177.6778 49 E 4.0577 8.2883 117.0261 59.0418 29.3418 178.4562 50 E 4.3961 8.3903 117.2297 57.3370 30.3937 177.0028 51 L 4.4902 8.5070 116.3739 53.7341 43.8474 177.7172 52 G 4.1672 7.8782 103.8244 45.3561 0.0000 174.4043 53 E 4.1276 8.6999 117.1303 59.4057 29.6696 178.9879 54 D 4.3243 8.0724 119.4114 57.1616 40.8891 178.3495 55 N 3.8745 7.8613 116.4306 55.9904 38.5750 176.8595 56 F 3.6733 7.6252 121.9457 61.4879 39.3729 177.5219 57 R 3.8772 8.2709 117.6887 59.0708 29.7800 178.7923 58 M 3.9264 7.6995 118.3229 58.5246 32.2378 178.2308 59 F 4.3869 7.4750 117.9860 60.5628 39.0751 177.2947 60 E 3.7286 7.9539 118.9411 58.9525 29.4881 178.5329 61 K 3.5942 8.2734 119.9890 59.6680 32.2269 178.3444 62 N 4.2852 8.1435 116.4833 56.3023 38.4596 177.1643 63 L 3.9395 7.9518 121.6323 58.0596 42.1430 179.0724 64 I 3.6579 7.7492 119.7542 64.5081 36.8432 177.9498 65 D 4.3696 7.6867 118.2127 57.5453 40.8150 178.3862 66 E 4.0682 8.3064 119.6253 59.2391 29.6690 178.8699 67 L 4.0086 8.4424 119.4839 57.4498 41.4200 179.4509 68 K 4.1075 7.9996 118.0911 59.1942 32.0224 178.4858 69 T 4.3468 7.4554 108.0550 61.5056 69.1717 174.6308 70 L 4.2572 7.4243 123.5760 54.1036 41.9976 176.9429 71 K 4.0838 8.8168 123.8840 60.1976 32.8855 177.7524 72 T 4.2114 7.7989 116.6968 61.8889 68.8168 172.6330 73 P 4.5263 0.0000 0.0000 63.4666 32.1042 175.3359 74 H 5.1260 9.2161 118.7230 53.9042 33.2058 172.5261 75 V 4.5420 8.4441 120.8890 62.4371 33.1100 174.9804 76 I 5.1133 9.0614 128.4000 59.6779 40.7338 174.6792 77 S 5.1270 9.2510 123.2614 57.5392 64.8399 173.3742 78 T 5.4427 7.7233 109.7360 58.8318 72.7836 173.3690 79 G 4.0000 8.7368 109.5277 45.1121 0.0000 173.5705 80 G 4.0779 8.6101 109.5379 46.6685 0.0000 173.0863 81 G 4.1054 8.7484 109.8721 45.4222 0.0000 175.7765 82 I 3.9810 7.7117 119.1299 63.9381 38.0173 177.8027 83 V 3.7908 7.4951 111.8462 62.9724 31.4944 176.9350 84 M 4.0180 7.7150 117.2663 57.6130 31.3643 176.3476 85 H 4.4882 7.9607 118.5501 54.8195 29.4253 175.8539 86 E 3.9356 8.9301 125.9860 59.1581 28.6095 177.2667 87 N 4.5692 8.0745 114.1858 53.7245 38.2840 176.5875 88 L 3.9710 8.0343 122.4152 58.3365 42.5885 179.0769 89 K 3.8800 8.1942 117.7477 59.4614 32.0410 178.6938 90 G 3.7539 7.3924 105.3349 46.4143 0.0000 174.2160 91 L 4.1666 8.1418 122.5151 55.7306 42.8381 177.5841 92 G 4.0114 6.5052 103.7326 46.4821 0.0000 171.1055 93 T 4.3801 8.0486 119.0964 63.2349 69.9219 174.2512 94 T 5.1004 8.3729 117.3503 60.2383 71.5026 173.7753 95 F 5.2345 9.4732 123.2797 55.9352 42.3480 173.5102 96 Y 5.0604 9.2029 127.0011 56.9160 39.8438 174.3764 97 L 4.4823 8.6305 130.3750 53.9403 41.7093 174.9177 98 K 3.5259 8.7053 127.5899 55.7839 33.2613 175.3163 99 M 5.3056 8.5775 125.7695 53.5763 36.2944 174.6642 100 D 4.9666 8.4593 120.4069 51.9552 41.8717 177.3224 101 F 3.0383 8.8083 120.6522 61.2743 39.1599 176.7571 102 E 3.7325 8.1142 117.5592 59.5796 29.1837 179.3877 103 T 3.7420 8.0522 115.7011 66.3580 68.5510 176.1627 104 L 3.7708 7.4302 122.1573 58.3651 42.0840 179.1069 105 I 3.3657 7.1675 119.3989 64.0442 36.7501 178.1529 106 K 3.9612 7.5132 120.3796 59.1410 32.0774 178.7920 107 R 4.1579 7.9031 116.7443 58.9972 30.2526 178.7878 108 L 4.1846 7.8052 119.1688 57.5370 41.0453 178.4689 109 N 4.5987 7.9346 113.8842 53.4385 38.6029 175.8857 110 Q 4.3167 7.6632 118.9030 55.5600 29.0761 176.7787 *118 L 4.3472 7.8173 118.1347 54.5960 43.8168 178.4730 119 L 4.3372 7.7824 115.7733 55.4259 42.2623 176.7446 120 N 4.4214 7.8713 116.3287 52.9101 39.0954 174.4604 121 N 4.6278 8.5080 120.8141 52.8439 38.5238 174.9016 122 L 4.5352 8.2634 125.0805 54.9519 42.0922 178.2990 123 T 3.7653 7.9464 118.0835 66.8088 68.4328 176.0121 124 Q 3.8850 8.0063 120.3532 59.2166 29.1309 177.8857 125 A 4.0287 7.9560 121.2882 54.9309 18.3405 179.3350 126 K 2.4800 7.9873 118.4352 59.0574 32.0910 178.4694 127 E 3.8530 7.9224 119.4926 59.5172 29.4703 178.9223 128 L 4.0466 7.8843 118.8387 57.5437 41.6670 179.1842 129 F 4.2479 8.5681 121.0558 61.4874 39.1210 176.9979 130 E 3.9585 8.3662 117.0979 59.4016 29.1733 179.2407 131 K 4.1278 7.9299 118.1625 59.5719 32.0223 179.5993 132 R 3.9429 8.2925 118.4145 59.3270 29.9122 178.9350 133 Q 4.2634 8.2693 117.7231 59.1886 28.6278 178.9765 134 A 4.0042 7.8015 121.2061 54.8569 18.1095 179.4354 135 L 3.7169 7.3866 118.1400 58.4873 42.5257 178.5708 136 Y 3.8032 7.3484 116.1408 60.7765 37.7877 177.9908 137 E 4.0606 8.1934 119.6461 59.3658 29.3940 179.1669 138 K 3.8760 8.0042 118.6111 59.0116 32.1492 177.4504 139 N 4.7855 7.5306 113.2672 51.5604 38.9099 174.0346 140 A 4.6560 7.1451 124.3020 50.2235 20.7927 177.3631 141 S 3.9155 8.5150 120.3442 61.0665 63.3205 175.2118 142 F 4.5629 7.9170 116.7953 55.5259 43.2949 173.8760 143 I 4.8739 8.4707 122.7505 60.0678 38.6602 174.9629 144 I 4.5927 9.0792 129.1954 59.7422 39.1517 174.7999 145 D 4.6645 9.1111 127.1039 54.2139 40.5230 174.8372 146 A 4.5467 8.4603 126.7374 51.9845 18.8426 178.2090 147 R 4.1116 8.3017 118.5945 58.7548 30.5067 177.5831 148 G 4.0706 8.0583 106.6060 44.9891 0.0000 173.8157 149 G 3.9486 8.4336 106.2597 44.9850 0.0000 174.7375 150 L 3.8844 8.7727 124.4106 58.3360 42.0409 179.0218 151 N 4.2397 8.1327 116.1759 56.7364 38.8917 176.1200 152 N 4.2789 8.0510 117.9583 56.6235 39.1329 176.9353 153 S 4.0778 8.1972 116.6366 61.4255 62.8844 176.1570 154 L 3.8383 8.1177 123.3735 58.1251 41.7201 178.8106 155 K 3.7915 8.0905 119.3201 59.6883 32.1324 178.5683 156 Q 3.7160 7.8660 117.9684 58.8887 28.6437 179.1252 157 V 3.6060 7.6829 119.0336 66.0222 31.6707 177.9415 158 L 3.8995 8.0732 119.0877 57.8854 41.2196 179.3594 159 Q 3.8843 7.8554 118.3805 59.2145 29.0248 178.0503 160 F 4.4145 7.6238 118.0144 60.3512 38.9128 177.3498 161 I 4.0121 7.7132 111.5360 63.1141 37.7089 176.3468 162 A 4.3280 7.7777 126.3484 52.2614 18.6475 176.7509 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 8.30 4.54 0.00 1.92 2.16 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 2 Q 8.26 4.21 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.15 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 3 H 9.58 4.52 0.00 3.30 3.27 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.80 5.15 0.00 1.67 1.65 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 5 V 9.32 4.85 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 1.07 0.00 0.00 1.03 0.00 0.00 6 L 9.12 5.33 0.00 1.71 1.69 1.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 7 I 9.74 4.97 2.09 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 1.48 1.64 1.02 0.00 0.00 8 G 8.20 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 9 F 7.92 4.39 0.00 3.18 3.11 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 10 M 8.68 4.19 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.61 0.00 11 G 9.02 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.86 4.21 0.00 4.10 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 0.00 13 G 8.50 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.45 3.92 0.00 1.87 1.95 0.00 1.76 0.00 0.00 1.88 0.00 0.00 3.28 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.62 1.62 7.81 15 S 8.03 4.15 0.00 3.89 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 16 S 7.98 4.10 0.00 3.87 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 17 L 8.12 3.89 0.00 1.75 1.74 0.88 1.11 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 18 A 8.40 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 19 Q 8.06 3.88 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 20 E 8.20 3.96 0.00 2.16 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 2.45 2.48 0.00 21 L 8.41 4.02 0.00 1.75 1.66 0.73 0.61 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 22 G 8.21 3.73 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 0.00 0.00 0.00 23 L 8.06 3.98 0.00 1.85 1.71 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.00 4.05 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 25 L 7.96 4.34 0.00 1.68 1.70 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.54 3.84 0.00 1.90 1.84 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.38 7.81 27 L 7.67 4.89 0.00 1.49 1.51 0.93 0.69 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 28 E 8.46 4.32 0.00 1.69 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 2.33 2.22 0.00 29 V 8.27 5.03 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 0.89 0.00 0.00 0.99 0.00 0.00 30 L 9.12 4.97 0.00 1.57 1.48 0.82 0.81 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 31 D 8.70 5.48 0.00 2.79 2.51 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 32 T 9.19 3.94 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 1.23 0.00 0.00 33 D 8.23 4.54 0.00 2.98 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 34 M 8.66 4.09 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.61 0.00 35 I 7.94 3.68 2.01 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 1.51 1.05 0.88 0.00 0.00 36 I 7.73 3.60 1.97 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.73 0.93 0.00 0.00 37 S 8.31 4.43 0.00 4.02 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 38 E 8.15 3.98 0.00 2.09 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 0.00 2.30 2.34 0.00 39 R 7.75 3.97 0.00 1.83 1.81 0.00 3.11 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 40 V 7.64 3.62 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 0.76 0.00 0.00 0.33 0.00 0.00 41 G 8.75 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.47 4.94 0.00 1.71 1.55 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.92 4.46 0.00 4.08 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 44 V 8.38 3.52 2.11 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 0.80 0.00 0.00 1.06 0.00 0.00 45 R 8.15 4.02 0.00 1.95 1.97 0.00 3.25 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 46 E 8.38 4.08 0.00 2.31 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 2.38 0.00 47 I 8.04 3.78 2.00 0.00 0.00 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 1.69 0.97 1.12 0.00 0.00 48 F 8.11 4.12 0.00 3.20 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.29 4.06 0.00 2.09 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 2.48 2.53 0.00 50 E 8.39 4.40 0.00 2.00 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 2.53 2.51 0.00 51 L 8.51 4.49 0.00 1.74 1.70 1.13 0.90 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 52 G 7.88 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 0.00 0.00 0.00 0.00 53 E 8.70 4.13 0.00 2.49 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 2.44 2.44 0.00 54 D 8.07 4.32 0.00 2.67 2.71 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 55 N 7.86 3.87 0.00 2.76 2.29 0.00 0.00 6.74 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 56 F 7.63 3.67 0.00 2.55 2.64 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 57 R 8.27 3.88 0.00 1.82 1.98 0.00 3.38 0.00 0.00 3.43 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.86 0.00 58 M 7.70 3.93 0.00 1.86 1.94 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 59 F 7.48 4.39 0.00 2.87 2.76 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 60 E 7.95 3.73 0.00 1.57 1.91 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 2.22 2.24 0.00 61 K 8.27 3.59 0.00 1.84 1.86 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.40 1.61 7.81 62 N 8.14 4.29 0.00 3.02 2.85 0.00 0.00 6.72 6.19 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 63 L 7.95 3.94 0.00 1.80 1.76 0.88 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 64 I 7.75 3.66 2.09 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.71 0.93 0.00 0.00 65 D 7.69 4.37 0.00 2.82 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 66 E 8.31 4.07 0.00 2.02 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 2.28 2.33 0.00 67 L 8.44 4.01 0.00 1.65 1.61 0.88 0.66 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 68 K 8.00 4.11 0.00 1.94 1.89 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.67 7.81 69 T 7.46 4.35 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 1.26 0.00 0.00 70 L 7.42 4.26 0.00 1.85 1.72 0.69 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.82 4.08 0.00 1.86 1.95 0.00 1.50 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.54 7.81 72 T 7.80 4.21 4.34 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 1.22 0.00 0.00 73 P 0.00 4.53 0.00 2.12 2.10 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 74 H 9.22 5.13 0.00 3.05 3.21 0.00 5.80 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 75 V 8.44 4.54 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.93 0.00 0.00 76 I 9.06 5.11 1.91 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.83 0.93 0.00 0.00 77 S 9.25 5.13 0.00 3.92 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 78 T 7.72 5.44 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 79 G 8.74 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 0.00 0.00 0.00 80 G 8.61 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.75 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 0.00 0.00 0.00 82 I 7.71 3.98 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.44 1.01 0.00 0.00 83 V 7.50 3.79 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.13 0.00 0.00 84 M 7.71 4.02 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 85 H 7.96 4.49 0.00 3.31 3.23 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.93 3.94 0.00 1.90 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 2.28 2.29 0.00 87 N 8.07 4.57 0.00 2.93 3.03 0.00 0.00 5.91 6.67 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 88 L 8.03 3.97 0.00 1.79 1.76 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.19 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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 98 K 8.71 3.53 0.00 1.12 1.52 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.28 7.81 99 M 8.58 5.31 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 100 D 8.46 4.97 0.00 3.00 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 0.00 101 F 8.81 3.04 0.00 2.77 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.11 3.73 0.00 2.06 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 2.41 2.48 0.00 103 T 8.05 3.74 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 1.17 0.00 0.00 104 L 7.43 3.77 0.00 1.43 1.29 0.68 0.78 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 0.00 105 I 7.17 3.37 1.56 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.24 0.77 0.00 0.00 106 K 7.51 3.96 0.00 1.80 1.92 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.30 7.81 107 R 7.90 4.16 0.00 1.88 1.95 0.00 3.19 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 108 L 7.81 4.18 0.00 1.76 1.65 0.87 0.39 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 0.00 109 N 7.93 4.60 0.00 2.81 2.77 0.00 0.00 6.89 7.31 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 0.00 110 Q 7.66 4.32 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.19 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 *118 L 7.82 4.35 0.00 1.65 1.77 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.78 4.34 0.00 1.63 1.71 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 120 N 7.87 4.42 0.00 2.72 2.76 0.00 0.00 6.84 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 0.00 121 N 8.51 4.63 0.00 2.68 2.76 0.00 0.00 7.03 7.78 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 0.00 122 L 8.26 4.54 0.00 1.88 1.96 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.95 3.77 4.31 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 1.17 0.00 0.00 124 Q 8.01 3.89 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 125 A 7.96 4.03 1.51 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 0.00 126 K 7.99 2.48 0.00 0.79 1.53 0.00 1.48 0.00 0.00 1.42 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.14 0.67 7.81 127 E 7.92 3.85 0.00 2.03 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 2.29 2.34 0.00 128 L 7.88 4.05 0.00 1.81 1.76 0.94 1.01 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 0.00 129 F 8.57 4.25 0.00 3.24 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 0.00 130 E 8.37 3.96 0.00 1.99 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 2.75 2.52 0.00 131 K 7.93 4.13 0.00 1.92 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.64 7.81 132 R 8.29 3.94 0.00 2.21 2.26 0.00 3.29 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 133 Q 8.27 4.26 0.00 2.30 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.36 1.86 0.00 134 A 7.80 4.00 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 0.00 135 L 7.39 3.72 0.00 1.40 1.49 0.81 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 7.35 3.80 0.00 2.09 1.55 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 0.00 137 E 8.19 4.06 0.00 2.05 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 2.64 2.73 0.00 138 K 8.00 3.88 0.00 1.90 1.89 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.39 1.44 7.81 139 N 7.53 4.79 0.00 2.70 2.73 0.00 0.00 6.84 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 0.00 140 A 7.15 4.66 1.44 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 0.00 141 S 8.51 3.92 0.00 3.46 3.28 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 0.00 142 F 7.92 4.56 0.00 2.57 2.29 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 0.00 143 I 8.47 4.87 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.66 0.90 0.00 0.00 144 I 9.08 4.59 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.11 0.98 0.00 0.00 145 D 9.11 4.66 0.00 2.74 2.64 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 0.00 146 A 8.46 4.55 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 0.00 147 R 8.30 4.11 0.00 1.97 1.99 0.00 3.13 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 148 G 8.06 4.07 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 0.00 0.00 0.00 149 G 8.43 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 0.00 150 L 8.77 3.88 0.00 1.76 1.68 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 151 N 8.13 4.24 0.00 2.85 2.78 0.00 0.00 6.72 6.71 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 0.00 152 N 8.05 4.28 0.00 2.85 2.95 0.00 0.00 7.22 7.41 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 0.00 153 S 8.20 4.08 0.00 4.08 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.12 3.84 0.00 1.78 1.86 0.88 0.50 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 0.00 155 K 8.09 3.79 0.00 1.98 1.95 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.43 7.81 156 Q 7.87 3.72 0.00 2.34 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.52 0.00 157 V 7.68 3.61 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 0.40 0.00 0.00 0.72 0.00 0.00 158 L 8.07 3.90 0.00 1.63 1.65 0.87 0.54 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 0.00 159 Q 7.86 3.88 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 160 F 7.62 4.41 0.00 2.93 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 I 7.71 4.01 1.93 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 1.65 0.63 1.11 0.00 0.00 162 A 7.78 4.33 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 * Residues marked with a * may have inaccurate shift predictions.