NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 Q 4.3995 8.3293 119.6894 56.1735 29.4725 173.5327 32 Q 4.2577 8.8391 119.2965 56.7310 30.4519 175.0359 33 C 5.0766 8.2472 115.0366 55.6915 43.5943 175.0358 34 G 3.9177 9.3694 110.7239 46.8202 0.0000 173.7548 35 Q 4.5899 8.7947 116.0472 55.7673 29.3795 177.1300 36 T 4.0991 8.0543 117.1341 66.4812 69.2983 176.6317 37 A 3.3062 7.8552 122.7023 54.8220 18.0459 177.6404 38 P 4.1819 0.0000 0.0000 65.7039 31.2878 178.8556 39 L 4.0187 7.8616 117.7765 57.7552 41.5614 179.5602 40 I 3.6717 7.5342 119.2970 64.2085 37.0031 177.5663 41 N 4.1746 8.3797 118.3175 57.0099 38.5083 176.6889 42 E 3.9208 7.9695 118.2471 59.1858 29.6742 178.8318 43 R 4.2407 8.2341 118.9482 59.8051 29.9585 178.5744 44 L 4.2070 7.7779 116.6806 57.0432 41.6889 179.1311 45 S 4.4027 7.4469 114.6289 59.8649 64.1446 174.3083 46 Y 4.3169 7.4986 123.2280 57.0097 36.9093 176.0039 *48 K 3.7122 7.7726 123.7792 56.4131 34.6168 177.1782 49 D 4.8070 8.2630 118.1353 57.4840 40.6986 178.8361 50 V 3.7187 7.8825 118.7630 65.9241 31.4906 177.8568 51 A 4.2745 8.3100 120.2689 55.3022 18.2994 179.7186 52 G 3.7957 9.0262 104.4784 48.1265 0.0000 175.0924 53 Y 4.3085 8.4853 122.4453 60.5651 38.7577 178.6720 54 K 3.6640 8.4317 118.9321 59.2268 32.1851 179.2213 55 A 4.0814 8.4235 121.3227 55.2963 18.1643 179.0233 56 E 3.8319 7.9289 116.4533 59.0364 29.6506 177.9383 57 N 4.5851 7.2866 112.7327 51.9167 39.3180 174.2731 58 H 4.1655 7.8488 116.4363 56.7791 27.0257 174.6814 59 L 4.5996 7.9944 118.2158 52.3374 43.1011 175.5239 60 P 4.4937 0.0000 0.0000 62.8345 31.9248 176.6633 61 I 3.6828 8.4022 121.4089 64.0732 37.1966 176.3407 62 E 4.2461 7.9876 120.7289 55.2621 30.2478 175.7501 63 D 4.5723 8.3205 124.6930 51.9452 43.1235 175.4582 64 R 4.0279 8.4923 126.9377 58.7415 30.2607 178.7835 65 I 3.6858 7.8205 119.4699 64.5272 37.2414 177.9337 66 Q 3.9899 8.1532 119.7656 59.2132 28.7764 178.2431 67 E 3.9873 8.1589 119.6094 59.5399 29.4740 179.1554 68 E 3.9662 8.5275 118.9578 59.1482 29.4323 179.3688 69 K 3.8873 8.0144 119.6645 59.4996 32.3126 179.1065 70 V 3.5886 7.8617 118.4912 65.9245 31.2267 178.0753 71 I 3.6945 7.7134 118.5541 64.4326 37.0891 177.5406 72 N 4.4391 8.5019 116.8598 56.8503 38.9792 176.7027 73 S 4.3117 8.2780 116.2713 61.3862 62.8216 177.4908 74 A 4.1624 7.9129 120.7851 52.6781 17.8841 179.0061 *76 A 4.2075 7.9955 125.6232 53.9650 20.9259 180.1766 77 Q 3.8800 8.6149 114.8552 59.1050 28.6945 178.5771 78 A 3.9681 8.1655 122.1825 55.4942 18.4245 179.1409 79 E 3.9080 7.6492 117.2295 59.8037 29.4511 180.0717 80 S 4.3094 7.9254 110.9727 60.2856 63.3736 174.7330 81 L 4.3852 7.8270 119.2581 54.2156 41.8196 176.7968 82 G 3.8839 7.8924 105.9700 45.9599 0.0000 173.4605 83 L 4.6207 7.8180 119.0160 52.6631 42.9512 176.2878 84 N 4.3603 8.6979 121.1102 53.5056 38.8870 174.9373 85 G 3.9667 9.0199 115.7597 49.0664 0.0000 174.6960 86 E 4.0085 8.2819 120.3420 58.7286 29.2064 179.3259 87 S 4.1829 8.1270 113.1633 60.8571 62.7897 176.0503 88 I 3.9868 7.5848 123.7105 63.5068 36.7305 177.8368 89 K 3.9397 7.5997 120.3042 59.0629 32.3053 176.5455 90 P 4.4604 0.0000 0.0000 65.3297 31.1285 178.9085 91 L 4.5907 7.4030 115.2846 55.1855 41.6344 178.6666 *93 V 3.9633 8.0123 117.6100 62.3914 33.3014 177.2818 94 A 4.0431 8.5104 121.7118 55.3431 18.1289 179.6858 95 Q 4.0276 8.4892 116.8387 59.0751 28.7662 178.9855 96 I 3.7490 7.7216 120.3845 64.3472 37.2585 177.7695 97 N 4.3144 8.4388 117.3626 56.5145 38.4664 177.1788 98 A 4.0177 8.1645 121.5334 55.0515 18.4866 179.4590 99 A 3.9640 8.1268 119.1559 55.3983 18.5064 179.9332 100 K 3.7074 8.4945 117.1369 59.4587 32.1233 179.2328 101 A 4.1758 8.5576 121.3409 55.4010 18.2802 179.7033 102 I 3.8433 7.7214 119.3551 64.1408 37.1400 178.7273 103 Q 4.0529 8.1734 118.7163 59.2080 28.5438 178.3614 104 Y 4.2717 8.4097 117.9956 61.3426 37.9132 179.1205 105 R 3.8199 7.9925 118.7509 59.3712 30.1033 178.7649 106 Y 3.1646 7.7677 116.4729 60.6859 37.4588 178.7299 107 R 4.0533 7.8863 117.8400 59.1727 30.3626 178.5872 108 A 4.1587 8.0247 120.3805 55.4581 18.3395 179.4320 109 D 4.2644 7.7948 117.2533 57.3825 40.6483 179.1447 110 W 4.7561 7.8253 119.4091 58.7640 29.0898 178.1473 111 L 4.2452 7.7803 119.2670 57.1838 41.1510 178.0837 112 S 4.7224 8.0944 110.5380 58.6694 64.6398 174.3745 113 Q 4.5755 8.2696 120.5512 53.8125 29.0975 172.7552 114 P 4.5706 0.0000 0.0000 63.2392 32.7865 177.6991 115 E 3.8207 8.3365 115.4975 57.8024 26.7961 173.4691 116 P 4.4884 0.0000 0.0000 63.3912 32.5293 177.0192 117 G 3.9383 8.5826 107.7894 45.9730 0.0000 172.7298 118 W 4.5890 7.9127 128.8876 55.6774 31.5701 175.3863 119 Q 3.9234 7.3382 125.9689 52.7433 31.2428 173.0352 120 P 3.9049 0.0000 0.0000 62.0255 32.0201 176.4368 121 K 4.0878 8.7517 120.7641 55.4709 32.8460 175.9220 122 P 4.2693 0.0000 0.0000 62.4893 32.6780 177.0836 123 L 3.6684 8.5121 124.1128 58.5435 41.9986 178.8970 124 D 4.2182 7.8802 117.0832 57.3568 41.3085 177.7302 125 D 4.2803 7.9256 118.9849 57.1986 40.8417 178.7497 126 V 3.3768 7.5271 118.6374 66.1518 31.6225 178.4403 127 R 3.8269 8.2401 117.8495 58.8491 29.7146 179.0116 128 A 3.9206 7.8007 120.6079 55.1170 18.4085 179.2810 129 N 4.0771 7.7226 114.5472 56.4500 38.4654 177.7146 130 I 3.7431 7.6382 121.2167 64.3161 37.1920 178.7988 131 G 3.5770 8.0541 106.5835 47.5541 0.0000 175.2314 132 E 3.9210 8.4337 122.1324 59.2602 29.5802 179.0933 133 L 4.0357 7.9956 118.8791 57.6311 41.7853 179.2124 134 S 4.1001 8.5142 113.6496 61.7892 62.1940 176.3799 135 T 3.8840 8.0475 118.2004 66.7974 68.1624 176.7539 136 K 4.1523 8.0305 120.1421 59.3951 31.9363 179.5843 137 I 3.7517 8.0548 120.3573 64.4630 37.1058 178.5196 138 L 4.0467 7.8636 119.3981 57.7298 41.4109 179.3875 139 E 3.9899 8.4599 118.7994 59.4738 29.3511 179.2579 140 Q 3.9973 8.4131 119.7506 59.2061 29.0673 178.1741 141 I 3.7781 8.1192 120.7875 64.3060 37.1710 178.1657 142 A 3.9408 8.0986 121.4221 55.1685 18.2048 178.8068 143 E 3.8552 8.2305 117.6880 59.9191 29.6337 179.0660 144 E 3.9899 8.4565 118.2000 59.5291 29.3389 179.4415 145 L 4.0615 8.0195 118.1580 57.6128 41.6885 179.5899 146 K 4.1145 7.9707 117.6003 59.5770 32.2090 178.9124 147 T 4.3536 8.0097 113.4602 63.2225 69.3619 174.1956 148 C 5.2342 7.7381 117.4125 54.4613 37.5876 173.9776 149 K 4.3276 9.3293 121.5704 55.9216 32.1146 176.6987 150 P 4.5149 0.0000 0.0000 63.9315 31.4683 177.4704 151 A 4.3076 7.8415 121.3684 54.5976 18.9044 177.9518 152 E 4.2480 7.7739 114.5166 56.7433 29.4159 176.9895 *154 G 3.9500 8.0018 106.8994 45.5735 0.0000 173.5619 155 D 5.0471 8.3319 123.1330 51.2402 43.3206 177.1761 156 K 2.0000 7.9495 119.0947 59.2841 31.8072 178.1677 157 A 3.9829 7.8330 120.2112 54.9598 18.5289 178.8900 158 H 4.0982 8.0427 115.7862 59.3810 29.9590 177.4554 159 F 3.8259 8.3497 119.4765 60.5859 38.5639 177.4267 160 I 3.6616 7.3101 117.4788 64.8278 37.1006 178.1600 161 N 4.4483 8.0651 114.8543 55.6207 38.3386 176.6990 162 T 4.4246 7.2643 115.5306 63.6656 70.3192 174.8692 163 I 4.2582 7.8935 123.1505 59.3850 35.9835 173.8364 164 R 4.6085 8.3967 120.0009 54.0646 31.6718 175.7502 165 Q 4.5532 8.2366 120.0580 53.6678 33.0042 173.7407 166 H 4.0025 8.7321 119.8845 58.2264 30.3052 174.8403 167 N 4.0693 8.6035 121.1983 53.3364 35.7179 172.8425 168 L 4.5697 7.5329 120.2228 53.1949 44.2894 176.7850 169 T 4.4883 9.0104 117.0396 60.2838 72.0922 176.0942 170 S 4.0903 8.3934 116.6711 61.6792 62.7507 176.5638 171 A 4.0608 8.0968 122.9570 55.4658 17.9746 179.3083 172 D 4.3236 7.8184 117.3687 57.5846 40.8569 179.2096 173 V 3.8257 7.8379 118.7016 65.9738 31.5211 177.9450 174 E 4.0572 8.7833 118.7003 59.3538 29.3221 179.1792 175 A 4.0768 8.0077 120.6105 55.0964 18.3698 179.8298 176 I 3.8394 7.5036 117.1968 64.3956 37.1059 178.3546 177 F 3.7269 8.6011 121.9937 61.2250 38.9773 177.4124 178 S 3.9249 8.1729 113.0590 61.4336 62.9963 176.1938 179 T 4.0235 7.8903 113.0278 64.2674 68.6915 176.3414 180 F 4.1803 8.3557 123.6130 61.4552 39.1671 176.5340 181 N 4.0762 7.4081 113.4871 54.7715 38.4310 176.4647 182 Q 4.1570 7.6657 118.7390 55.9904 29.4033 176.0362 183 V 3.9355 6.8436 120.7214 62.7173 32.0794 175.4767 184 K 4.7373 8.7836 126.2299 54.1170 36.2311 175.8670 185 L 4.5296 8.5943 121.7024 54.4785 42.6809 177.5732 186 K 3.9618 8.4466 120.0717 57.6269 34.3991 174.7985 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 31 Q 8.33 4.40 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 32 Q 8.84 4.26 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 33 C 8.25 5.08 0.00 2.98 3.13 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 34 G 9.37 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 35 Q 8.79 4.59 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.97 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 36 T 8.05 4.10 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 1.34 0.00 0.00 37 A 7.86 3.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.18 0.00 2.13 2.08 0.00 3.60 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 39 L 7.86 4.02 0.00 1.84 1.72 1.01 0.84 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 40 I 7.53 3.67 1.81 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 1.54 0.78 0.88 0.00 0.00 41 N 8.38 4.17 0.00 2.67 2.90 0.00 0.00 7.26 7.48 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 42 E 7.97 3.92 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 2.33 2.42 0.00 43 R 8.23 4.24 0.00 2.04 2.14 0.00 3.13 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 44 L 7.78 4.21 0.00 1.84 1.74 0.93 0.99 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 45 S 7.45 4.40 0.00 3.76 3.86 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 0.00 0.00 0.00 46 Y 7.50 4.32 0.00 3.25 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 *48 K 7.77 3.71 0.00 1.22 1.62 0.00 1.16 0.00 0.00 1.10 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.53 0.21 7.81 49 D 8.26 4.81 0.00 3.13 2.86 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 0.00 0.00 0.00 50 V 7.88 3.72 2.19 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 1.11 0.00 0.00 1.04 0.00 0.00 51 A 8.31 4.27 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.03 3.80 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 0.00 0.00 0.00 53 Y 8.49 4.31 0.00 3.12 3.35 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 54 K 8.43 3.66 0.00 2.09 2.03 0.00 1.96 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.86 7.81 55 A 8.42 4.08 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.93 3.83 0.00 2.17 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 2.24 2.27 0.00 57 N 7.29 4.59 0.00 2.38 2.61 0.00 0.00 7.12 8.03 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 58 H 7.85 4.17 0.00 3.27 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.99 4.60 0.00 1.51 1.59 0.73 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.49 0.00 2.39 2.11 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 61 I 8.40 3.68 1.31 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.30 0.24 0.00 0.00 62 E 7.99 4.25 0.00 2.04 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 2.30 2.53 0.00 63 D 8.32 4.57 0.00 2.80 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 64 R 8.49 4.03 0.00 1.92 1.98 0.00 3.21 0.00 0.00 3.36 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 65 I 7.82 3.69 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 1.54 1.24 0.92 0.00 0.00 66 Q 8.15 3.99 0.00 2.32 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 67 E 8.16 3.99 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.62 0.00 68 E 8.53 3.97 0.00 1.97 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 2.56 2.47 0.00 69 K 8.01 3.89 0.00 1.97 2.00 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 70 V 7.86 3.59 2.22 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 0.99 0.00 0.00 0.99 0.00 0.00 71 I 7.71 3.69 2.00 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 1.42 0.82 0.92 0.00 0.00 72 N 8.50 4.44 0.00 2.68 2.92 0.00 0.00 7.35 7.92 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 73 S 8.28 4.31 0.00 3.91 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 74 A 7.91 4.16 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 *76 A 8.00 4.21 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 77 Q 8.61 3.88 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 78 A 8.17 3.97 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 79 E 7.65 3.91 0.00 2.25 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 2.34 2.35 0.00 80 S 7.93 4.31 0.00 4.00 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 81 L 7.83 4.39 0.00 1.65 1.73 0.93 0.92 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 82 G 7.89 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.82 4.62 0.00 1.67 1.59 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.70 4.36 0.00 2.81 2.81 0.00 0.00 7.09 7.98 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 85 G 9.02 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 0.00 0.00 0.00 86 E 8.28 4.01 0.00 2.06 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 2.40 2.43 0.00 87 S 8.13 4.18 0.00 4.19 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.58 3.99 2.09 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 1.40 1.26 0.93 0.00 0.00 89 K 7.60 3.94 0.00 1.71 1.85 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.50 7.81 90 P 0.00 4.46 0.00 2.19 2.09 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 91 L 7.40 4.59 0.00 1.77 1.81 1.06 0.91 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 *93 V 8.01 3.96 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 1.03 0.00 0.00 0.95 0.00 0.00 94 A 8.51 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.49 4.03 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.64 0.00 96 I 7.72 3.75 2.02 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 1.66 0.62 0.94 0.00 0.00 97 N 8.44 4.31 0.00 2.90 2.93 0.00 0.00 6.95 8.15 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 98 A 8.16 4.02 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 99 A 8.13 3.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.49 3.71 0.00 1.82 1.74 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.65 7.81 101 A 8.56 4.18 1.42 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 0.00 0.00 0.00 102 I 7.72 3.84 2.11 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.18 1.11 0.00 0.00 103 Q 8.17 4.05 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 104 Y 8.41 4.27 0.00 3.19 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 0.00 105 R 7.99 3.82 0.00 1.92 1.81 0.00 3.24 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 106 Y 7.77 3.16 0.00 2.63 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.89 4.05 0.00 2.05 2.11 0.00 3.64 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 108 A 8.02 4.16 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 0.00 109 D 7.79 4.26 0.00 2.46 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 0.00 110 W 7.83 4.76 0.00 3.56 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 0.00 111 L 7.78 4.25 0.00 1.77 1.80 0.97 0.95 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 0.00 112 S 8.09 4.72 0.00 3.98 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 0.00 113 Q 8.27 4.58 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 7.12 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 114 P 0.00 4.57 0.00 2.19 2.34 0.00 3.94 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 2.03 0.00 115 E 8.34 3.82 0.00 2.11 2.20 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 2.45 2.55 0.00 116 P 0.00 4.49 0.00 2.05 1.97 0.00 3.87 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 117 G 8.58 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 0.00 0.00 0.00 118 W 7.91 4.59 0.00 3.27 3.24 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 0.00 119 Q 7.34 3.92 0.00 1.68 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 120 P 0.00 3.90 0.00 2.14 2.00 0.00 3.33 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.87 0.00 121 K 8.75 4.09 0.00 1.77 1.78 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.39 7.81 122 P 0.00 4.27 0.00 2.10 1.94 0.00 3.58 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 123 L 8.51 3.67 0.00 1.31 1.38 0.42 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 124 D 7.88 4.22 0.00 2.75 2.58 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 0.00 125 D 7.93 4.28 0.00 2.92 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.53 3.38 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.97 0.00 0.00 127 R 8.24 3.83 0.00 1.84 1.88 0.00 3.04 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 128 A 7.80 3.92 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 0.00 129 N 7.72 4.08 0.00 2.40 1.89 0.00 0.00 7.06 6.86 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 0.00 130 I 7.64 3.74 1.92 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 0.50 0.91 0.00 0.00 131 G 8.05 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 0.00 0.00 0.00 132 E 8.43 3.92 0.00 2.13 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 2.30 2.35 0.00 133 L 8.00 4.04 0.00 2.03 1.74 1.04 0.75 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 0.00 134 S 8.51 4.10 0.00 3.92 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 0.00 135 T 8.05 3.88 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 1.26 0.00 0.00 136 K 8.03 4.15 0.00 2.00 1.88 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.70 7.81 137 I 8.05 3.75 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.70 1.00 0.00 0.00 138 L 7.86 4.05 0.00 1.90 1.74 0.94 0.76 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 0.00 139 E 8.46 3.99 0.00 2.17 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 2.34 2.53 0.00 140 Q 8.41 4.00 0.00 2.33 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 141 I 8.12 3.78 1.94 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.89 0.87 0.00 0.00 142 A 8.10 3.94 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.23 3.86 0.00 2.16 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 0.00 2.34 2.55 0.00 144 E 8.46 3.99 0.00 2.24 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 2.52 2.72 0.00 145 L 8.02 4.06 0.00 1.88 1.71 0.79 1.17 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 0.00 146 K 7.97 4.11 0.00 1.91 1.87 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.56 7.81 147 T 8.01 4.35 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 0.00 148 C 7.74 5.23 0.00 3.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 K 9.33 4.33 0.00 1.82 1.74 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.56 7.81 150 P 0.00 4.51 0.00 2.04 2.07 0.00 3.67 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 2.01 2.05 0.00 151 A 7.84 4.31 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 0.00 152 E 7.77 4.25 0.00 2.18 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 2.36 2.27 0.00 *154 G 8.00 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 0.00 155 D 8.33 5.05 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 0.00 156 K 7.95 2.00 0.00 1.32 1.56 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.29 1.08 7.81 157 A 7.83 3.98 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 0.00 158 H 8.04 4.10 0.00 3.45 3.61 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 0.00 159 F 8.35 3.83 0.00 2.97 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 I 7.31 3.66 1.83 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 1.64 0.68 0.88 0.00 0.00 161 N 8.07 4.45 0.00 2.65 2.84 0.00 0.00 7.05 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 T 7.26 4.42 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 1.03 0.00 0.00 163 I 7.89 4.26 1.88 0.00 0.00 0.47 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 0.21 0.87 0.00 0.00 164 R 8.40 4.61 0.00 1.81 1.84 0.00 2.98 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 165 Q 8.24 4.55 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.06 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 166 H 8.73 4.00 0.00 3.04 3.28 0.00 6.01 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 0.00 167 N 8.60 4.07 0.00 2.54 2.60 0.00 0.00 6.54 6.74 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 0.00 168 L 7.53 4.57 0.00 1.57 1.57 0.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 169 T 9.01 4.49 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 1.17 0.00 0.00 170 S 8.39 4.09 0.00 3.88 4.14 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 0.00 171 A 8.10 4.06 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 0.00 172 D 7.82 4.32 0.00 2.88 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 0.00 173 V 7.84 3.83 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 1.23 0.00 0.00 1.02 0.00 0.00 174 E 8.78 4.06 0.00 2.06 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 2.51 0.00 175 A 8.01 4.08 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 I 7.50 3.84 2.25 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 1.50 0.87 1.15 0.00 0.00 177 F 8.60 3.73 0.00 2.85 3.13 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 0.00 178 S 8.17 3.92 0.00 4.04 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 0.00 179 T 7.89 4.02 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 1.33 0.00 0.00 180 F 8.36 4.18 0.00 3.26 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 N 7.41 4.08 0.00 2.47 2.57 0.00 0.00 7.08 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 0.00 182 Q 7.67 4.16 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.83 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 183 V 6.84 3.94 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 0.69 0.00 0.00 1.04 0.00 0.00 184 K 8.78 4.74 0.00 1.63 1.58 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.47 7.81 185 L 8.59 4.53 0.00 1.51 1.59 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 186 K 8.45 3.96 0.00 1.74 1.71 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.22 1.26 7.81 * Residues marked with a * may have inaccurate shift predictions.