NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 A 4.2993 8.2644 123.5763 52.6576 19.1884 176.1144 12 H 4.5616 8.2750 120.3289 54.1483 32.8993 171.7684 13 L 4.1641 9.6424 128.9649 58.9673 41.6850 177.9372 14 R 3.9813 7.8413 115.5333 55.4925 30.6080 177.6816 15 R 3.4627 7.3233 117.4032 57.7030 29.8948 173.2055 16 E 3.3852 7.2482 114.9094 55.7845 32.2060 174.2380 17 Y 4.5662 7.0768 116.8465 57.2342 39.5467 172.6153 18 T 4.7101 8.3473 116.5487 62.1968 72.7571 172.6164 19 K 4.6915 7.8721 121.0363 55.9622 35.7140 175.1586 20 G 3.7776 8.4655 104.2656 45.9907 0.0000 172.4091 21 G 3.6585 9.1387 111.2760 45.9010 0.0000 173.2632 22 L 4.6319 8.5124 128.6982 52.8096 41.6623 176.0729 23 R 4.4838 8.0456 123.8731 54.8517 31.2830 178.0941 24 R 3.0987 8.4782 120.2155 58.8172 30.4689 178.2184 25 R 4.0265 7.8622 116.2443 59.2714 30.2049 177.0665 26 D 4.5588 7.4044 114.3683 54.6311 41.0848 176.6438 27 L 3.8810 7.3998 120.5156 54.1112 42.0208 175.3293 28 P 4.5263 0.0000 0.0000 61.4718 32.4545 176.3003 29 A 4.0191 8.4855 122.5522 54.4257 18.5954 177.0796 30 D 4.6456 7.8150 116.5031 51.7784 41.4529 174.4666 31 P 3.0394 0.0000 0.0000 65.7220 30.5799 177.2583 32 L 4.3697 8.3021 116.9501 56.1948 41.6323 178.5885 33 T 4.1533 8.4293 117.6766 65.5747 68.7576 176.8205 34 L 3.6894 7.4058 121.8250 57.9562 42.2005 178.3430 35 F 4.0399 8.2016 120.7853 61.4858 39.3575 176.7468 36 E 3.8472 8.1433 118.2642 58.9361 29.3989 178.8814 37 R 3.8886 7.6928 118.5654 59.2379 30.3370 178.5677 38 W 4.1358 8.4833 119.0900 59.4777 28.9111 178.3195 39 L 3.5953 7.6110 120.5485 57.8425 41.3601 179.1732 40 S 4.0662 7.8217 114.9175 61.6639 62.7993 176.5971 41 Q 4.1605 8.3545 121.2622 57.5447 28.2051 178.3269 42 A 3.8534 7.2976 121.9811 54.7344 18.5353 179.3564 43 C 4.1126 7.9334 114.7417 62.5190 27.9260 175.8671 44 E 4.1622 8.4730 119.5331 59.3485 28.9799 179.2903 45 A 4.1813 7.4424 117.9620 51.6248 19.7126 177.7444 46 K 3.7759 7.9098 117.4902 58.9380 30.1375 174.9272 47 L 4.2950 7.3453 118.4533 53.7389 43.0368 177.4112 48 A 4.0770 8.4635 123.8593 53.7137 19.6421 177.9933 49 D 4.4415 8.8743 121.3282 54.4630 38.3091 172.9643 50 P 4.4326 0.0000 0.0000 65.9309 32.1795 178.0053 51 T 4.6343 8.1294 105.9218 61.6962 69.0807 173.4816 52 A 4.7842 8.6926 126.0490 52.2918 18.9982 177.3789 53 M 4.4115 9.1818 119.6377 53.1960 35.4851 174.6190 54 V 4.3135 8.0977 120.9908 61.6575 33.2282 174.8349 55 V 4.5890 8.1009 128.3241 60.0099 33.8532 174.6575 56 A 5.2289 8.6700 125.9963 50.3830 21.8275 175.4024 57 T 5.0468 8.4926 112.4300 59.7412 72.7072 172.9086 58 V 5.0331 8.0196 120.0050 61.3220 34.6351 174.9295 59 D 4.7679 9.3167 128.0022 51.7872 40.8456 176.9179 60 E 3.9051 8.6869 116.9277 59.7692 29.1699 177.9457 61 H 4.3537 8.1794 114.1978 56.6639 29.1517 175.9018 62 G 3.8868 8.6583 108.2150 45.2519 0.0000 172.4872 63 Q 4.5440 9.3594 122.5232 53.7926 30.3750 173.1750 64 P 5.1734 0.0000 0.0000 62.6916 32.9709 174.8098 65 Y 4.7387 8.6373 117.8305 56.5550 42.2585 174.4809 66 Q 5.1121 8.4632 118.7970 54.7561 33.1611 174.4784 67 R 4.6011 8.3257 116.8861 55.1110 33.1025 174.2732 68 I 4.3592 8.2116 122.0204 61.5730 38.1817 175.2906 69 V 4.5078 8.7853 124.6281 61.5662 35.6185 173.1631 70 L 5.1704 8.3472 123.3993 52.6750 43.9285 176.1286 71 L 4.4520 8.9798 126.4284 55.3229 41.9328 176.6184 72 K 4.4748 8.7032 125.9785 56.8276 33.1831 176.3652 73 H 4.7727 7.8690 118.4925 55.9874 32.7780 172.3204 74 Y 5.3719 7.8055 121.2600 56.1387 41.3229 173.4167 75 D 4.4134 8.5245 119.6096 52.6262 42.4360 175.9201 76 E 4.1403 8.9236 116.6781 59.1343 29.2449 178.2652 77 K 4.0832 8.7805 118.5876 57.4880 32.5302 176.8116 78 G 4.2233 6.9499 105.2305 43.9342 0.0000 171.2176 79 M 4.9426 8.4915 119.6907 53.6374 34.3263 175.8925 80 V 5.3224 8.9700 123.1274 60.7641 34.5416 174.3702 81 F 5.2175 8.0850 119.6235 55.9338 41.4387 172.2815 82 Y 5.5027 8.5455 116.6135 57.0572 40.8413 174.6546 83 T 3.8314 8.6566 116.0369 60.7113 71.6836 171.8414 84 N 4.1200 7.6426 121.3758 52.1779 39.6899 175.4285 85 L 3.9006 7.9747 124.4494 56.0225 42.3160 177.3663 86 G 4.2185 6.3535 107.4654 45.0113 0.0000 172.9617 87 S 4.6143 7.0747 112.3618 55.3727 66.5650 175.0021 88 R 3.6711 8.6139 122.4686 59.8928 29.5828 178.8572 89 K 3.8560 7.8234 117.4119 59.6427 32.6270 178.9337 90 A 3.6237 7.8886 122.3107 55.2921 18.4427 179.3399 91 H 4.4964 7.7530 115.5745 58.6076 28.7307 177.9547 92 Q 3.9845 8.1081 119.9454 58.8675 28.2569 178.8510 93 I 4.4633 7.3166 121.4381 63.9918 37.1193 177.8971 94 E 4.1271 8.1050 119.3872 59.4248 29.0558 178.7433 95 N 4.6783 7.8580 115.3832 54.6523 39.4158 174.5526 96 N 4.5771 8.0210 119.3652 52.0896 40.8405 172.4213 97 P 4.5954 0.0000 0.0000 63.9539 32.7001 176.2242 98 R 4.4724 7.8355 120.8843 56.6386 30.7104 176.2819 99 V 4.7459 8.6666 115.9740 60.0248 36.8933 173.7620 100 S 5.1720 8.5854 115.9701 56.5727 65.8924 172.7079 101 L 5.0830 8.5092 123.8638 52.8018 45.7385 175.3754 102 L 4.9178 8.2090 123.9926 53.4181 45.6517 174.8428 103 F 4.2143 8.8375 125.8191 55.2480 39.9877 174.3002 104 P 4.7255 0.0000 0.0000 60.8854 29.5321 175.8441 105 W 5.0517 8.3046 125.2299 57.5698 30.3353 178.9109 106 H 4.3172 8.4603 116.5916 59.1325 28.0086 177.0382 107 T 3.6287 7.9202 115.4331 66.1129 67.9005 174.4035 108 L 4.5025 8.4376 118.9984 53.9688 41.9751 176.5399 109 E 3.9949 9.2627 118.3952 57.6068 27.1598 173.9316 110 R 5.5722 7.3361 112.5753 53.8594 34.5164 174.6558 111 Q 5.0528 8.9990 117.9033 54.0585 33.8986 173.9803 112 V 4.7110 8.2955 120.3153 61.4008 35.4986 173.5709 113 M 5.2365 8.5601 126.0983 53.6727 35.5831 174.0586 114 V 4.8371 8.7359 125.2358 61.0956 35.0237 174.0038 115 I 4.9048 8.4473 128.3675 59.8575 40.4682 175.2606 116 G 4.8066 8.1218 111.5790 46.8942 0.0000 171.4622 117 K 5.2071 8.3861 118.6604 54.5636 34.7087 175.7652 118 A 5.0465 8.6352 126.8072 51.0582 19.8135 176.3570 119 E 4.8205 8.9983 122.6306 54.2163 32.7254 175.9104 120 R 3.3980 8.5764 124.2454 56.3009 30.6726 176.0804 121 L 4.4516 8.1460 126.6479 53.9247 42.9253 177.0760 122 S 4.3175 8.3910 115.6547 57.9209 64.0419 175.0291 123 T 3.7367 8.5454 116.1278 65.5077 66.5622 176.1299 124 L 4.0237 7.8562 119.6353 57.8944 42.0474 178.7966 125 E 4.0537 8.3629 118.4505 59.5783 29.2833 179.5918 126 V 3.6928 6.8166 117.4103 64.9900 31.7191 175.7035 127 M 4.3988 7.3524 117.6925 54.7972 30.9509 174.6159 128 K 4.1951 8.7610 132.2270 56.8656 35.5013 174.3752 129 Y 3.9024 7.8349 113.6617 58.2648 38.0727 169.5435 *176 S 4.5931 8.0294 115.2336 58.3784 64.4736 174.2380 177 F 4.7665 9.7682 111.6179 57.3009 35.8327 172.5863 178 W 4.5444 8.6078 124.2569 57.1838 29.9041 175.2722 179 G 4.1981 9.1101 114.4573 44.1922 0.0000 171.0417 180 G 4.7060 8.0691 104.5128 44.5602 0.0000 171.9106 181 F 5.0915 8.2270 119.7156 55.1085 43.3114 174.1625 182 R 5.0003 8.8296 120.8845 54.6625 33.0106 174.2426 183 V 4.6738 9.2529 127.9508 61.8500 33.1735 175.7944 184 S 4.8020 9.1353 123.1615 58.1548 64.6473 173.9079 185 L 5.0517 8.0549 121.8152 53.9781 38.7694 176.3681 186 E 4.2789 9.0268 122.4598 59.0226 31.2272 177.7358 187 Q 5.3858 8.0017 116.1871 54.6423 33.8889 174.1207 188 I 4.9631 8.9879 122.2263 59.7048 41.6105 173.8982 189 E 5.3568 9.3396 127.7612 54.4307 32.8830 174.3911 190 F 5.2856 9.8680 123.7236 55.4592 42.8359 174.0595 191 W 5.4861 9.6093 131.9581 55.9782 33.7769 173.7940 192 Q 5.0202 9.0797 127.7944 54.4633 32.8521 174.1841 193 G 4.1537 8.9549 109.5197 43.6833 0.0000 173.8853 194 G 3.8342 7.8525 113.3557 45.7348 0.0000 172.0801 195 E 3.7437 9.1898 116.8830 59.7206 29.0146 179.7573 196 H 4.3627 9.2084 123.9090 57.4798 27.4438 176.0700 197 R 3.6753 7.6956 115.2189 57.0359 29.9564 175.9110 198 L 4.3195 7.9023 117.4858 55.3006 41.3692 175.8471 199 H 4.3069 8.4529 120.5455 54.7799 30.6417 174.4749 200 D 4.6263 7.6998 120.5250 52.9730 42.5909 175.8399 201 R 5.1118 8.0067 122.0726 54.3202 33.9063 174.3867 202 F 5.3392 9.4101 122.3011 55.5175 42.9505 173.6985 203 L 5.1992 8.9057 125.0605 53.6664 44.6539 174.5021 204 Y 4.9067 9.5064 125.0942 57.0116 39.4567 174.4881 205 Q 5.2235 9.3737 124.6923 54.1202 31.5522 175.0124 206 R 4.2883 8.8672 125.1285 55.3092 30.6340 175.6690 207 E 4.4391 8.9337 123.6336 56.7752 33.0379 174.7116 208 N 4.0505 9.5857 116.4734 56.6571 36.0631 174.1416 209 D 4.0176 7.6198 121.4060 53.4039 38.8713 171.8961 210 A 4.0786 6.5542 122.1335 51.7223 23.3099 175.1248 211 W 5.3359 8.6465 118.4469 54.9791 31.6146 175.8103 212 K 4.3717 9.1718 127.5594 55.9657 33.0539 175.5110 213 I 4.9851 8.2926 127.1722 59.6745 40.1629 174.6538 214 D 4.8901 8.6766 124.7588 52.7225 45.4251 175.1122 215 R 4.3740 8.8483 122.8100 56.2755 31.0985 175.0527 216 L 4.9954 8.1842 122.4564 52.5460 45.3890 176.4468 217 A 4.2536 8.4939 123.3603 50.7602 19.3782 176.0902 218 P 4.4803 0.0000 0.0000 63.2855 31.1231 176.3565 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 11 A 8.26 4.30 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 12 H 8.27 4.56 0.00 3.09 3.14 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 9.64 4.16 0.00 1.80 1.79 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.84 3.98 0.00 1.66 1.93 0.00 3.33 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 15 R 7.32 3.46 0.00 1.89 1.89 0.00 3.41 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 16 E 7.25 3.39 0.00 1.65 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 1.95 1.90 0.00 17 Y 7.08 4.57 0.00 3.00 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 18 T 8.35 4.71 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 1.17 0.00 0.00 19 K 7.87 4.69 0.00 1.76 1.74 0.00 1.57 0.00 0.00 1.68 0.00 0.00 2.72 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.16 1.24 7.81 20 G 8.47 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 21 G 9.14 3.66 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 0.00 0.00 0.00 22 L 8.51 4.63 0.00 1.81 1.81 1.16 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.05 4.48 0.00 1.97 1.84 0.00 3.25 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 24 R 8.48 3.10 0.00 1.83 1.94 0.00 3.23 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.40 0.00 25 R 7.86 4.03 0.00 1.81 1.94 0.00 3.25 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 26 D 7.40 4.56 0.00 2.56 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 27 L 7.40 3.88 0.00 1.54 1.41 0.64 -0.04 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 28 P 0.00 4.53 0.00 2.07 1.90 0.00 3.48 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 29 A 8.49 4.02 1.33 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 0.00 0.00 0.00 30 D 7.82 4.65 0.00 2.77 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 3.04 0.00 1.40 0.49 0.00 3.16 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.44 0.00 32 L 8.30 4.37 0.00 1.91 1.95 1.16 0.73 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 33 T 8.43 4.15 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 1.17 0.00 0.00 34 L 7.41 3.69 0.00 1.24 1.00 0.66 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.20 4.04 0.00 3.08 2.98 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 36 E 8.14 3.85 0.00 2.45 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 0.00 2.37 2.55 0.00 37 R 7.69 3.89 0.00 2.05 2.08 0.00 3.16 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 38 W 8.48 4.14 0.00 3.40 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 39 L 7.61 3.60 0.00 1.16 1.29 1.05 1.04 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 40 S 7.82 4.07 0.00 4.04 3.84 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 41 Q 8.35 4.16 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.56 2.30 0.00 42 A 7.30 3.85 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.93 4.11 0.00 3.07 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 44 E 8.47 4.16 0.00 2.25 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 0.00 2.40 2.41 0.00 45 A 7.44 4.18 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.91 3.78 0.00 1.76 1.86 0.00 1.58 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.43 7.81 47 L 7.35 4.30 0.00 1.67 1.59 0.89 0.55 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 48 A 8.46 4.08 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.87 4.44 0.00 2.86 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 50 P 0.00 4.43 0.00 2.15 2.14 0.00 3.77 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.23 0.00 51 T 8.13 4.63 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 52 A 8.69 4.78 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 53 M 9.18 4.41 0.00 0.68 0.94 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.26 0.00 54 V 8.10 4.31 1.89 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 0.83 0.00 0.00 0.79 0.00 0.00 55 V 8.10 4.59 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.69 0.00 0.00 56 A 8.67 5.23 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.49 5.05 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 1.11 0.00 0.00 58 V 8.02 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 0.88 0.00 0.00 0.93 0.00 0.00 59 D 9.32 4.77 0.00 2.96 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 60 E 8.69 3.91 0.00 1.96 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 2.23 2.22 0.00 61 H 8.18 4.35 0.00 3.32 3.42 0.00 5.88 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 62 G 8.66 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 0.00 0.00 0.00 63 Q 9.36 4.54 0.00 2.16 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.89 0.00 0.00 0.00 0.00 0.00 2.11 1.93 0.00 64 P 0.00 5.17 0.00 2.04 1.99 0.00 3.67 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 1.84 1.92 0.00 65 Y 8.64 4.74 0.00 2.95 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 66 Q 8.46 5.11 0.00 1.81 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 67 R 8.33 4.60 0.00 1.79 1.92 0.00 2.95 0.00 0.00 2.97 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.63 0.00 68 I 8.21 4.36 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 1.13 0.47 0.87 0.00 0.00 69 V 8.79 4.51 1.64 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 0.53 0.00 0.00 0.56 0.00 0.00 70 L 8.35 5.17 0.00 1.65 1.64 1.02 1.03 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 71 L 8.98 4.45 0.00 1.87 1.87 1.22 0.81 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 72 K 8.70 4.47 0.00 1.31 1.90 0.00 1.89 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.93 0.56 7.81 73 H 7.87 4.77 0.00 3.27 3.14 0.00 5.84 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 7.81 5.37 0.00 2.89 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 75 D 8.52 4.41 0.00 2.75 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 76 E 8.92 4.14 0.00 2.21 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 0.00 2.33 2.35 0.00 77 K 8.78 4.08 0.00 1.94 1.94 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.41 7.81 78 G 6.95 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 M 8.49 4.94 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 80 V 8.97 5.32 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 1.14 0.00 0.00 0.99 0.00 0.00 81 F 8.08 5.22 0.00 3.03 2.98 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 82 Y 8.55 5.50 0.00 3.29 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 83 T 8.66 3.83 4.36 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 1.20 0.00 0.00 84 N 7.64 4.12 0.00 2.28 2.25 0.00 0.00 6.90 6.66 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 85 L 7.97 3.90 0.00 1.50 1.74 0.98 0.74 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 86 G 6.35 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 7.07 4.61 0.00 3.80 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.61 3.67 0.00 1.75 1.83 0.00 2.75 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 89 K 7.82 3.86 0.00 1.86 1.91 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.34 7.81 90 A 7.89 3.62 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 7.75 4.50 0.00 3.25 3.30 0.00 5.92 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 8.11 3.98 0.00 1.99 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.48 0.00 93 I 7.32 4.46 1.52 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.72 0.88 0.00 0.00 94 E 8.11 4.13 0.00 2.19 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 2.44 2.65 0.00 95 N 7.86 4.68 0.00 2.74 2.94 0.00 0.00 6.96 7.07 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 96 N 8.02 4.58 0.00 2.73 2.72 0.00 0.00 6.80 8.01 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 97 P 0.00 4.60 0.00 2.18 2.30 0.00 3.75 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 2.08 2.01 0.00 98 R 7.84 4.47 0.00 1.72 1.92 0.00 3.18 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 99 V 8.67 4.75 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 0.82 0.00 0.00 1.00 0.00 0.00 100 S 8.59 5.17 0.00 3.82 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.51 5.08 0.00 1.47 1.12 0.90 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.21 4.92 0.00 1.53 1.26 0.86 0.83 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 0.00 103 F 8.84 4.21 0.00 2.04 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 1.05 0.00 0.00 113 M 8.56 5.24 0.00 2.10 1.79 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 2.43 2.41 0.00 114 V 8.74 4.84 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 0.91 0.00 0.00 0.82 0.00 0.00 115 I 8.45 4.90 1.91 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 1.16 0.88 0.93 0.00 0.00 116 G 8.12 4.81 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 0.00 0.00 0.00 117 K 8.39 5.21 0.00 1.74 1.73 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.58 7.81 118 A 8.64 5.05 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 9.00 4.82 0.00 1.93 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 120 R 8.58 3.40 0.00 1.66 1.62 0.00 3.07 0.00 0.00 2.76 7.19 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0.00 0.00 0.00 1.15 1.36 7.81 129 Y 7.83 3.90 0.00 3.33 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 0.00 *176 S 8.03 4.59 0.00 4.62 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 0.00 177 F 9.77 4.77 0.00 3.15 3.15 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 0.00 178 W 8.61 4.54 0.00 3.15 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 0.00 179 G 9.11 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 0.00 0.00 0.00 0.00 180 G 8.07 4.71 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 0.00 0.00 0.00 181 F 8.23 5.09 0.00 2.24 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 0.00 182 R 8.83 5.00 0.00 1.83 1.75 0.00 3.13 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 183 V 9.25 4.67 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.10 0.00 0.00 184 S 9.14 4.80 0.00 3.96 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 0.00 185 L 8.05 5.05 0.00 1.85 1.95 1.04 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 186 E 9.03 4.28 0.00 2.15 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 2.33 2.32 0.00 187 Q 8.00 5.39 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.87 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 188 I 8.99 4.96 1.69 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.35 0.00 0.00 189 E 9.34 5.36 0.00 2.06 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 190 F 9.87 5.29 0.00 3.18 2.94 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 0.00 191 W 9.61 5.49 0.00 3.44 3.17 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 0.00 192 Q 9.08 5.02 0.00 2.53 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 193 G 8.95 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 0.00 0.00 0.00 194 G 7.85 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 E 9.19 3.74 0.00 1.84 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 196 H 9.21 4.36 0.00 3.17 3.25 0.00 5.77 0.00 0.00 0.00 0.00 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 R 7.70 3.68 0.00 1.93 2.03 0.00 3.46 0.00 0.00 3.44 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 198 L 7.90 4.32 0.00 1.56 1.58 0.93 0.93 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 0.00 199 H 8.45 4.31 0.00 2.72 2.29 0.00 5.88 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 D 7.70 4.63 0.00 2.66 2.56 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 0.00 201 R 8.01 5.11 0.00 1.77 1.84 0.00 3.32 0.00 0.00 3.59 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.43 0.00 202 F 9.41 5.34 0.00 3.23 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 0.00 203 L 8.91 5.20 0.00 1.89 1.62 1.12 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 204 Y 9.51 4.91 0.00 3.05 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 0.00 205 Q 9.37 5.22 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 206 R 8.87 4.29 0.00 1.30 1.75 0.00 2.43 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.29 0.00 207 E 8.93 4.44 0.00 2.16 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 2.20 2.31 0.00 208 N 9.59 4.05 0.00 2.76 2.91 0.00 0.00 7.33 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 0.00 209 D 7.62 4.02 0.00 2.65 2.62 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 0.00 210 A 6.55 4.08 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 0.00 211 W 8.65 5.34 0.00 3.22 3.23 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 0.00 212 K 9.17 4.37 0.00 1.89 1.75 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.45 7.81 213 I 8.29 4.99 1.68 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.84 0.36 0.00 0.00 214 D 8.68 4.89 0.00 2.59 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 R 8.85 4.37 0.00 1.95 1.85 0.00 3.14 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.25 0.00 216 L 8.18 5.00 0.00 1.51 1.54 1.00 0.94 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 0.00 217 A 8.49 4.25 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 0.00 218 P 0.00 4.48 0.00 2.26 2.27 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 * Residues marked with a * may have inaccurate shift predictions.