NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3788 8.3344 115.2914 57.7424 63.5150 173.0202 1 L 4.0675 8.5453 130.1497 54.4543 42.6471 174.3914 2 R 4.8910 8.6012 124.3236 54.3772 34.0484 174.0583 3 Y 3.7855 8.4254 122.2846 57.0714 40.3771 173.8738 4 I 4.4315 8.1769 127.9689 59.5264 39.9338 174.7441 5 V 4.3152 8.5054 128.4355 61.0963 32.8022 174.7795 6 A 4.8420 8.9776 131.1861 51.3859 20.2747 175.4698 7 L 5.1077 8.7995 123.3478 53.5909 44.9731 175.3672 8 T 4.9009 8.9222 119.6672 60.0799 71.7358 172.2131 9 G 4.2747 8.0627 112.0101 46.2634 0.0000 173.1321 10 G 4.0394 7.7145 109.9234 43.6987 0.0000 172.7214 11 I 3.8104 8.1062 119.9995 62.3720 38.0981 176.4443 12 G 3.9851 8.9559 115.3341 45.5995 0.0000 174.2662 13 S 4.1713 7.9492 114.6792 58.9108 63.5803 174.7675 14 G 3.9082 8.2337 109.4027 46.5616 0.0000 175.7512 15 K 4.0144 8.1845 122.2863 59.6744 32.2603 178.0552 16 S 4.1237 8.1161 114.9851 61.5655 62.6767 176.5307 17 T 3.8541 8.0277 119.4408 66.4894 68.0581 176.7870 18 V 3.6743 7.8143 119.4590 66.0105 31.6242 177.7956 19 A 4.2182 8.4400 120.8444 55.3165 18.1164 179.4004 20 N 4.3200 8.6371 115.1152 56.3057 38.3439 177.4744 21 A 3.9464 7.6972 121.4624 55.0994 18.7214 179.4564 22 F 4.1249 8.1978 116.2375 60.5666 39.0146 177.7000 23 A 4.4389 8.3602 122.0481 54.8418 17.9721 179.3596 24 D 4.5578 8.3388 116.1923 56.5647 40.8943 177.8245 25 L 4.3932 7.5926 118.0956 54.4514 41.8835 177.4129 26 G 3.9648 8.3423 108.3481 45.0080 0.0000 174.0503 27 I 3.7816 7.3960 121.3677 60.7631 38.0541 174.6669 28 N 4.5628 8.9078 123.4844 53.1698 39.5079 174.1758 29 V 4.6687 8.4264 124.4567 61.7366 33.0239 174.8439 30 I 4.4470 8.9614 129.7722 59.7538 39.5484 174.0662 31 D 5.2440 8.6196 127.4309 52.4554 42.5262 176.7227 32 A 4.1515 9.0866 129.4490 55.5390 18.3715 179.1176 33 D 4.3174 8.3949 117.3890 57.3758 40.9347 178.9590 34 I 3.7168 7.9270 119.8404 64.5362 37.2212 178.3362 35 I 3.7263 7.9340 120.3234 64.3769 36.6978 178.3766 36 A 4.0362 7.9428 120.5719 55.1659 18.3303 179.6408 37 R 4.0788 8.2721 119.1018 60.0708 30.2813 179.8698 38 Q 4.2186 8.1509 120.4925 60.4104 27.9113 180.9421 39 V 4.0535 7.8384 113.2340 62.8636 31.4836 177.3770 40 V 4.3865 7.1999 117.5175 60.9917 31.7321 175.5605 41 E 4.2794 7.8700 118.2316 54.9637 30.6475 173.6461 42 P 4.7571 0.0000 0.0000 64.4597 31.2903 176.8761 43 G 3.8521 8.9677 111.7372 44.8810 0.0000 172.9907 44 A 4.2311 7.9854 123.1450 50.9196 19.2817 176.7611 45 P 4.2844 0.0000 0.0000 65.8424 31.3797 178.2062 46 A 4.0829 8.0510 120.3149 54.7649 18.6879 178.8778 47 L 3.7203 7.3598 117.0173 57.6302 42.1830 176.9716 48 H 4.8580 7.6524 111.4101 53.5183 30.6926 173.8031 *56 A 4.3044 8.5467 125.7919 52.5977 20.1775 177.7374 57 N 4.7974 8.0775 110.2627 52.5605 38.3934 180.7493 58 M 4.1892 8.1052 118.9428 58.8998 32.7500 176.5126 59 I 4.3281 7.5621 116.4955 58.1036 36.1749 180.1209 60 A 4.3372 8.8175 129.5058 50.5781 19.1457 177.9001 61 A 4.0594 8.5290 123.6369 55.8976 18.5703 179.7409 62 D 4.4293 7.9908 113.8714 54.8221 40.3868 180.3418 63 G 4.0964 7.7810 104.8872 46.3551 0.0000 174.3346 64 T 4.4716 7.7230 110.0876 60.6125 69.8400 173.4562 65 L 4.2605 7.8965 123.9474 54.1771 43.4227 175.7264 *83 W 4.9733 8.4146 128.0836 57.2719 32.4769 175.9555 84 L 4.2802 7.6640 118.8667 55.0168 41.4826 177.5304 85 N 4.5085 8.6912 116.9921 53.7222 37.4688 175.8272 86 A 4.3336 7.8013 122.3148 53.8051 19.0654 179.1852 87 L 4.1785 7.4806 119.0050 57.4553 42.7471 178.3856 88 L 3.9661 7.6319 118.3521 57.9066 41.6875 178.4200 89 H 4.0028 7.8502 117.0528 59.0766 29.7556 175.4319 90 P 4.3123 0.0000 0.0000 65.9202 31.0014 178.2541 91 L 4.0070 7.5673 118.2011 57.4994 41.4237 179.4574 92 I 3.7322 7.8925 119.9609 64.3807 36.9634 178.4769 93 Q 3.9277 8.1314 118.9490 58.8913 28.4889 178.5648 94 Q 3.9038 8.1830 120.6341 59.2800 29.1384 178.0502 95 E 3.9829 8.3922 120.3432 59.3174 29.6510 178.9026 96 T 3.8343 8.2469 116.4278 66.7433 68.4751 176.7386 97 Q 3.9063 8.3248 120.3205 58.9747 28.6718 178.2175 98 H 4.1719 8.3881 119.5097 59.4930 29.6871 177.4361 99 Q 3.9493 7.9214 118.7234 58.7830 28.8110 178.3202 100 I 3.8053 7.7864 121.0432 64.4423 36.8876 178.4893 101 Q 4.0636 8.0663 118.0067 58.6123 28.5914 178.0727 102 Q 4.0065 7.6418 119.1460 57.4718 29.4619 176.2994 103 A 4.2660 7.2233 122.5420 52.4075 18.8517 177.1729 104 T 4.5175 8.5144 110.1429 61.1233 69.2591 174.8312 105 S 4.4405 7.8168 117.7138 57.0443 64.0738 173.2968 106 P 4.5938 0.0000 0.0000 65.7575 31.1093 175.6781 107 Y 5.0775 7.2633 115.8318 55.7088 41.8046 174.4485 108 V 4.6069 8.9485 113.4328 59.5629 35.4968 174.7229 109 L 4.8795 8.6156 125.5010 53.3983 43.9738 175.1806 110 W 5.2948 9.3365 135.0000 56.0395 32.0467 175.1163 111 V 4.2823 8.8818 129.7174 62.0569 32.4568 175.0484 112 V 4.0746 8.4506 128.4920 60.0898 32.5670 173.7277 113 P 4.1767 0.0000 0.0000 65.1433 31.4921 177.6987 114 L 5.3132 7.4147 115.8914 53.6396 42.4803 178.5023 115 L 3.7433 7.7601 122.7042 58.3886 42.4577 179.4978 116 V 3.9099 7.9059 117.4993 66.0259 32.0699 177.5381 117 E 3.9798 8.3803 118.9423 59.1822 29.3531 178.0562 118 N 4.6356 8.3766 113.1033 52.1782 38.4942 174.7777 119 S 3.0066 7.8096 113.7631 59.3688 61.1981 173.7298 120 L 4.2739 7.7631 118.8299 55.6122 42.0758 178.5962 121 Y 4.3272 7.0504 117.4401 58.8876 38.1089 177.7979 122 K 4.2183 7.1040 118.7288 58.2247 32.2341 177.6408 123 K 4.4051 8.1303 116.8087 55.7310 32.4639 175.6328 124 A 4.8297 7.5762 121.8195 50.3616 21.1742 176.9516 125 N 4.4687 8.2167 118.6160 55.4356 39.4530 175.8860 126 R 4.7354 7.3761 117.7779 54.5953 34.1121 173.7291 127 V 4.7201 9.3468 125.9272 60.9570 34.3813 173.6949 128 L 5.0772 9.0436 130.5435 53.3861 44.4578 174.8312 129 V 4.6686 8.6841 127.2387 61.3775 33.4931 174.8857 130 V 4.4120 8.8010 129.4042 62.3211 31.4950 174.2742 131 D 4.9993 8.9988 128.9009 52.9696 43.1198 175.5497 132 V 5.0166 8.0342 116.8897 59.7028 36.3178 174.8017 133 S 4.4288 9.3880 117.4444 57.3175 63.9842 173.7463 134 P 4.4279 0.0000 0.0000 65.5857 30.8408 178.5788 135 E 3.9329 8.1470 117.8507 59.6770 29.5123 178.9002 136 T 3.8686 7.9901 115.6800 66.5935 68.4624 176.6140 137 Q 3.9911 8.1736 119.9551 58.9587 28.7004 179.0440 138 L 3.9369 7.9956 119.6791 57.7810 41.8622 179.5920 139 K 3.9117 8.2530 118.6144 59.5707 32.0435 179.4439 140 R 3.8929 8.2388 118.9975 59.8551 30.0589 178.7426 141 T 3.9448 7.9495 115.5949 66.7962 68.2625 176.6773 142 M 4.1933 8.4519 121.1778 58.4622 31.7237 178.5759 143 Q 3.9897 7.7782 118.4126 58.7793 29.3112 177.8303 144 R 4.0287 7.9095 119.0473 59.1770 30.4036 177.4595 145 D 4.6056 7.9232 114.9419 52.8785 42.3426 175.5065 146 D 4.6096 7.9424 117.1533 54.8057 39.3026 172.2518 147 V 4.4080 7.2290 110.2088 59.2778 35.5748 176.4813 148 T 4.1859 7.9812 114.9943 61.6383 69.2046 175.2130 149 R 3.9722 8.5328 126.2221 60.1935 30.2565 179.0518 150 E 4.1564 8.1846 117.6693 61.3281 29.1511 180.2820 151 H 4.3385 8.0730 118.1208 59.3636 29.9450 177.4846 152 V 3.6232 7.7807 119.6618 65.9084 31.3277 177.7211 153 E 4.0192 8.5974 121.1169 60.2262 29.0266 180.0828 154 Q 4.0460 7.7236 119.4380 60.1334 28.5050 180.8477 155 I 4.0545 7.3333 120.4563 64.2678 37.0948 178.5282 156 L 4.0029 8.3324 120.1114 57.6612 41.2188 179.2459 157 A 4.0339 7.9307 119.2424 54.1114 18.4360 178.6622 158 A 4.2913 7.5836 117.5038 52.3632 19.4032 177.2678 159 Q 4.4079 6.8429 115.0152 53.7379 30.7958 175.3327 160 A 4.1412 8.7942 123.1333 52.3591 19.0583 178.3441 161 T 4.2407 8.1129 110.8020 60.9502 71.2483 175.8146 162 R 3.8526 8.3924 120.6627 59.8277 30.0539 178.3240 163 E 3.9968 8.1575 117.4721 59.0900 29.2619 179.0045 164 A 4.0025 7.7239 120.5145 54.9938 18.5772 179.6533 165 R 3.9736 7.9658 116.6608 59.4053 30.1980 179.1762 166 L 3.9769 8.0670 118.5239 57.7034 41.3108 179.3933 167 A 4.0009 7.8136 120.0765 54.4191 18.3432 179.0338 168 V 3.8846 7.1010 107.3030 60.1545 32.4736 175.9752 169 A 4.3369 7.1316 122.6156 51.8385 19.3752 177.4799 170 D 4.7024 8.7853 121.7043 56.2694 41.9445 176.9363 171 D 5.0228 7.9964 116.0626 52.4135 45.5599 174.9016 172 V 4.8637 8.4385 120.2823 61.1083 34.7671 174.3971 173 I 4.5355 8.5894 127.1527 58.9595 40.6811 173.7887 174 D 4.8710 8.8628 130.0462 53.8284 41.8676 175.3607 175 N 5.1301 8.7488 126.4546 53.5832 38.5112 175.3129 176 N 4.5660 9.6192 117.5153 54.9808 39.8904 176.9873 177 G 4.0834 7.6355 108.5618 45.1542 0.0000 173.3515 178 A 4.3228 8.3253 125.9729 50.7931 19.7105 176.3943 179 P 4.2326 0.0000 0.0000 66.2380 31.7304 178.7587 180 D 4.5156 8.0636 116.4670 56.5177 40.5355 178.0086 181 A 4.1957 7.9849 120.8585 53.7770 18.6311 178.4087 182 I 4.0938 7.3102 109.2731 61.0207 38.0408 177.4724 183 A 3.9005 7.7293 124.0050 55.6052 18.3869 179.7826 184 S 4.0393 8.0614 112.1681 61.9570 62.7735 176.3858 185 D 4.3413 7.9646 121.8848 56.9100 40.6833 178.6674 186 V 3.3718 7.9643 118.7430 65.8002 31.4297 177.9977 187 A 3.9544 8.0610 120.6283 55.0743 18.3044 179.6137 188 R 3.7977 7.8154 116.8023 59.4885 30.1719 178.8440 189 L 3.6357 8.1805 119.2003 57.7344 41.5374 178.7211 190 H 4.5069 8.8810 119.7474 58.8425 29.8550 177.1284 191 A 3.9535 7.9935 122.4298 55.3475 18.1614 179.1469 192 H 4.1863 7.9020 116.3502 59.6054 29.9280 177.1778 193 Y 4.1218 8.1754 118.9519 60.8715 37.5479 178.3522 194 L 4.1141 8.2777 120.3236 57.8822 41.9063 179.3635 195 Q 3.9419 7.9682 119.1259 59.2493 29.1210 178.2979 196 L 3.9294 8.2177 120.0808 57.7724 41.3776 179.5001 197 A 3.4416 7.7084 120.1336 54.7852 18.3747 179.5661 198 S 4.3365 8.1636 111.9429 60.3067 63.3890 175.4279 199 Q 4.5993 7.6389 118.2159 55.5386 29.1540 177.1961 200 F 4.2713 8.2298 117.0290 60.2903 37.9019 176.6722 201 V 3.1942 7.0795 118.0135 64.9279 31.4246 176.5638 202 S 4.3911 7.6683 111.3458 58.1954 63.8488 173.6250 203 Q 3.8451 8.1929 125.5085 57.7404 28.7413 176.7647 204 E 4.3492 8.9312 123.1659 56.7226 30.8116 173.1078 205 K 4.5612 7.8171 117.7116 51.8130 32.6663 179.2931 206 P 4.5324 0.0000 0.0000 62.4983 31.0200 176.9198 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 0 S 8.33 4.38 0.00 3.86 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 1 L 8.55 4.07 0.00 1.74 1.59 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 2 R 8.60 4.89 0.00 1.82 1.85 0.00 3.31 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 3 Y 8.43 3.79 0.00 2.32 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 4 I 8.18 4.43 1.62 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.85 0.85 0.00 0.00 5 V 8.51 4.32 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 0.31 0.00 0.00 0.11 0.00 0.00 6 A 8.98 4.84 1.19 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 0.00 0.00 7 L 8.80 5.11 0.00 1.63 1.43 0.94 0.56 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 8 T 8.92 4.90 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 9 G 8.06 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 0.00 0.00 0.00 0.00 10 G 7.71 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 11 I 8.11 3.81 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 1.23 0.85 0.90 0.00 0.00 12 G 8.96 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 0.00 0.00 0.00 13 S 7.95 4.17 0.00 4.13 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 14 G 8.23 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 15 K 8.18 4.01 0.00 2.00 2.10 0.00 1.47 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.50 7.81 16 S 8.12 4.12 0.00 4.09 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 17 T 8.03 3.85 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 18 V 7.81 3.67 2.33 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 1.33 0.00 0.00 1.00 0.00 0.00 19 A 8.44 4.22 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 20 N 8.64 4.32 0.00 2.77 2.90 0.00 0.00 6.86 8.41 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 21 A 7.70 3.95 1.20 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 22 F 8.20 4.12 0.00 3.25 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 23 A 8.36 4.44 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 24 D 8.34 4.56 0.00 2.74 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 25 L 7.59 4.39 0.00 1.69 1.42 0.61 0.67 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 26 G 8.34 3.96 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 0.00 0.00 0.00 27 I 7.40 3.78 2.05 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.96 0.80 0.00 0.00 28 N 8.91 4.56 0.00 2.69 2.74 0.00 0.00 6.27 7.88 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 29 V 8.43 4.67 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 0.83 0.00 0.00 0.99 0.00 0.00 30 I 8.96 4.45 1.98 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 1.11 0.57 0.97 0.00 0.00 31 D 8.62 5.24 0.00 2.74 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 32 A 9.09 4.15 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 33 D 8.39 4.32 0.00 2.89 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 34 I 7.93 3.72 2.02 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 1.65 0.86 0.92 0.00 0.00 35 I 7.93 3.73 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.83 0.94 0.00 0.00 36 A 7.94 4.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.27 4.08 0.00 2.07 1.99 0.00 3.14 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 38 Q 8.15 4.22 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 39 V 7.84 4.05 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 0.94 0.00 0.00 1.01 0.00 0.00 40 V 7.20 4.39 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 0.79 0.00 0.00 0.91 0.00 0.00 41 E 7.87 4.28 0.00 2.20 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 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0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 *83 W 8.41 4.97 0.00 3.39 3.20 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 84 L 7.66 4.28 0.00 1.78 1.60 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.69 4.51 0.00 2.94 2.99 0.00 0.00 5.88 7.46 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 86 A 7.80 4.33 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 87 L 7.48 4.18 0.00 1.63 1.70 0.82 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.63 3.97 0.00 1.71 1.67 0.88 0.91 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 89 H 7.85 4.00 0.00 3.30 3.30 0.00 5.79 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 90 P 0.00 4.31 0.00 2.30 2.31 0.00 3.69 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 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7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 141 T 7.95 3.94 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 1.27 0.00 0.00 142 M 8.45 4.19 0.00 2.04 2.29 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 2.71 2.72 0.00 143 Q 7.78 3.99 0.00 2.34 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.23 0.00 144 R 7.91 4.03 0.00 1.93 2.01 0.00 3.30 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 145 D 7.92 4.61 0.00 2.71 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 D 7.94 4.61 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 0.00 147 V 7.23 4.41 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 0.73 0.00 0.00 0.98 0.00 0.00 148 T 7.98 4.19 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 1.28 0.00 0.00 149 R 8.53 3.97 0.00 1.92 1.91 0.00 3.24 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 150 E 8.18 4.16 0.00 2.01 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 2.31 1.94 0.00 151 H 8.07 4.34 0.00 3.24 3.57 0.00 5.83 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 0.00 152 V 7.78 3.62 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 1.06 0.00 0.00 1.03 0.00 0.00 153 E 8.60 4.02 0.00 2.24 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 2.33 2.48 0.00 154 Q 7.72 4.05 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 155 I 7.33 4.05 1.97 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 1.47 0.63 0.89 0.00 0.00 156 L 8.33 4.00 0.00 1.84 1.71 0.91 0.80 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 0.00 157 A 7.93 4.03 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 0.00 158 A 7.58 4.29 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 0.00 159 Q 6.84 4.41 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 160 A 8.79 4.14 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 0.00 161 T 8.11 4.24 4.38 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 1.20 0.00 0.00 162 R 8.39 3.85 0.00 1.89 1.96 0.00 3.17 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 163 E 8.16 4.00 0.00 2.08 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 2.39 2.42 0.00 164 A 7.72 4.00 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 0.00 165 R 7.97 3.97 0.00 2.09 1.95 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 166 L 8.07 3.98 0.00 1.80 1.70 0.91 0.76 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 0.00 167 A 7.81 4.00 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 0.00 168 V 7.10 3.88 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 0.06 0.00 0.00 0.67 0.00 0.00 169 A 7.13 4.34 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 0.00 170 D 8.79 4.70 0.00 2.72 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 0.00 171 D 8.00 5.02 0.00 2.67 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 0.00 172 V 8.44 4.86 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 0.79 0.00 0.00 0.94 0.00 0.00 173 I 8.59 4.54 1.96 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 1.16 1.62 1.06 0.00 0.00 174 D 8.86 4.87 0.00 2.74 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 0.00 175 N 8.75 5.13 0.00 2.72 2.83 0.00 0.00 7.28 8.23 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 0.00 176 N 9.62 4.57 0.00 2.80 2.87 0.00 0.00 6.68 8.02 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 0.00 177 G 7.64 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 0.00 178 A 8.33 4.32 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 0.00 179 P 0.00 4.23 0.00 2.18 2.14 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 180 D 8.06 4.52 0.00 2.75 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 0.00 181 A 7.98 4.20 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 0.00 182 I 7.31 4.09 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 1.71 0.58 0.98 0.00 0.00 183 A 7.73 3.90 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 0.00 184 S 8.06 4.04 0.00 4.04 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 0.00 185 D 7.96 4.34 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 V 7.96 3.37 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 0.18 0.00 0.00 0.75 0.00 0.00 187 A 8.06 3.95 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 0.00 188 R 7.82 3.80 0.00 1.89 2.05 0.00 3.06 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 189 L 8.18 3.64 0.00 1.75 1.17 1.10 0.90 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 0.00 190 H 8.88 4.51 0.00 3.32 3.54 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 A 7.99 3.95 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 0.00 192 H 7.90 4.19 0.00 3.26 3.24 0.00 5.79 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 0.00 193 Y 8.18 4.12 0.00 2.36 1.56 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 0.00 194 L 8.28 4.11 0.00 1.86 1.76 0.90 1.06 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 0.00 195 Q 7.97 3.94 0.00 2.29 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 196 L 8.22 3.93 0.00 1.35 1.14 0.85 1.04 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 0.00 197 A 7.71 3.44 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 0.00 198 S 8.16 4.34 0.00 4.07 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 0.00 199 Q 7.64 4.60 0.00 2.34 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 200 F 8.23 4.27 0.00 3.36 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 0.00 201 V 7.08 3.19 1.80 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 0.65 0.00 0.00 0.19 0.00 0.00 202 S 7.67 4.39 0.00 3.98 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 0.00 203 Q 8.19 3.85 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 204 E 8.93 4.35 0.00 2.02 1.84 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 2.16 1.85 0.00 205 K 7.82 4.56 0.00 1.72 1.61 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.23 0.95 7.81 206 P 0.00 4.53 0.00 2.21 2.12 0.00 3.78 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 2.01 2.00 0.00 * Residues marked with a * may have inaccurate shift predictions.