NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3825 8.3449 118.8302 56.3585 31.1362 175.7120 2 I 4.4555 7.2336 116.8697 59.8281 38.4739 172.8749 3 I 3.7798 9.4922 126.2704 61.6350 38.9963 176.0086 4 L 4.7699 8.6043 128.0682 53.9922 42.7998 177.2604 5 T 4.4280 9.2785 117.2018 60.1485 68.5787 171.3458 6 Q 4.7814 8.2032 129.3453 56.1370 29.7676 174.8438 7 S 4.6325 8.6027 120.7363 57.2274 64.7990 172.3922 8 P 4.2945 0.0000 0.0000 62.5553 31.2652 175.9402 9 A 4.2653 8.7435 126.6078 54.3839 19.4079 176.9771 10 I 5.1704 7.6044 112.9290 60.0600 41.6496 175.2323 11 M 4.8734 8.9662 122.8879 53.9201 36.6732 173.9905 12 S 5.7317 9.0265 116.7619 55.5964 65.0539 172.6491 13 A 5.0665 8.5252 126.9503 50.7831 23.1690 174.4042 14 S 5.0429 9.1846 115.0015 55.7815 66.0819 172.6615 15 P 4.4783 0.0000 0.0000 64.4316 31.3406 177.4111 16 G 4.0237 9.1774 109.9209 45.7807 0.0000 173.3012 17 E 4.1846 8.0844 122.3879 55.9031 30.4582 176.3842 18 K 5.0764 8.5429 128.0682 56.1366 33.2957 175.9064 19 V 4.5624 8.7570 124.8044 61.7598 35.5187 174.3978 20 T 5.0362 8.2153 121.4186 62.5494 72.6388 172.8855 21 M 4.9031 9.3377 123.8918 53.8267 34.4580 174.8463 22 T 5.3673 8.5854 117.2230 62.4614 72.4171 173.7133 23 C 5.2355 9.4973 123.0584 55.5086 45.8621 172.8134 24 S 5.5047 9.0053 121.3565 56.7582 66.0175 173.0182 25 A 5.0015 8.7587 126.0994 50.3217 20.1933 177.3601 26 S 4.6628 7.9847 116.0172 56.0535 62.3753 175.5804 27 S 5.0393 7.2671 120.0928 60.0786 64.8910 177.3670 28 D 4.8144 8.5800 117.1184 52.1124 43.7265 173.8177 29 I 4.7376 8.0612 117.8586 59.3530 40.7345 175.1698 30 S 4.2688 8.5097 115.6937 60.1272 63.9364 174.5558 *32 Y 5.1553 7.3529 115.0031 58.2421 39.1600 174.6757 33 M 4.4516 8.4315 120.4062 53.7445 35.6097 174.3172 34 H 5.5818 8.5386 119.1461 53.8438 32.6287 172.9789 35 W 5.5131 9.8513 122.2527 55.3536 32.1883 173.9162 36 Y 5.2123 9.3586 122.8120 56.4403 40.0702 174.6341 37 Q 4.3574 9.0319 125.2104 54.6635 31.5178 174.2909 38 Q 4.5950 9.0648 126.5700 54.8601 32.3801 174.1723 39 K 4.7947 8.4446 125.6031 54.4305 34.6607 176.5398 40 S 4.1089 8.5504 117.3087 60.1171 63.7187 174.3256 41 D 4.3809 8.5954 121.7859 54.5206 38.0669 173.3275 42 T 4.4558 6.9320 104.7143 60.7568 71.5793 174.0505 43 S 4.3045 8.3787 119.2404 57.4977 63.7087 172.5739 44 P 4.5998 0.0000 0.0000 63.1719 31.9234 175.7128 45 K 4.8580 8.8629 121.6124 54.3809 35.3306 175.4684 46 I 3.5412 8.5990 124.9197 61.2142 38.2600 174.2072 47 W 4.5149 9.8168 135.0000 58.5710 32.9929 175.5072 48 I 5.2129 7.9560 121.2234 59.9122 40.5723 174.0823 49 Y 5.0073 9.0755 125.4947 54.6272 41.3441 174.9241 50 D 4.7009 9.8756 116.1230 55.8824 38.8520 175.2979 51 T 4.1592 9.0012 121.9153 64.1837 67.9316 174.2397 52 S 4.8277 7.7876 109.4577 57.2775 64.6033 173.4512 53 K 4.3051 7.8215 122.0865 55.4871 33.3694 175.9038 54 L 4.7433 8.3009 124.0114 53.9059 43.1137 176.6080 55 A 4.4073 8.4884 124.9196 50.9466 20.4021 176.7429 56 S 4.1293 8.3023 114.0843 60.2745 62.4963 173.3153 57 G 3.8896 8.8657 116.3439 45.3922 0.0000 173.4693 58 V 2.6160 6.5759 118.7322 61.9644 30.1812 173.9995 59 P 4.3797 0.0000 0.0000 62.7117 32.0329 177.2920 60 A 4.2249 8.5994 122.9187 55.0554 18.6444 179.4856 61 R 4.1777 7.6743 109.6385 57.9029 29.9357 176.5560 62 F 5.3189 7.8506 118.6509 56.5143 41.4626 174.9867 63 S 4.6546 8.4769 114.6192 58.0391 66.4864 173.8483 64 G 4.6134 8.6829 106.5070 44.8869 0.0000 171.5605 65 S 4.7120 8.3958 115.3063 57.2955 67.0924 173.5154 66 G 4.1827 7.9082 107.1451 43.8457 0.0000 172.2634 67 S 4.4897 6.2928 112.6515 58.1357 68.4394 176.2140 68 G 3.8611 7.4812 106.7302 45.6417 0.0000 174.0412 69 T 4.3625 8.7268 115.2564 64.9704 71.7542 175.9109 70 S 5.1890 7.8150 117.1319 58.1346 64.6761 173.0798 71 Y 5.2976 9.2248 120.8252 56.9587 43.0193 173.7442 72 S 5.4284 9.5123 114.4336 57.8812 67.4566 173.0844 73 L 4.3583 8.9433 121.7686 53.6366 44.3889 175.0548 74 T 4.9375 8.3323 122.4578 61.7542 72.1436 173.6078 75 I 4.4750 8.6450 125.2036 59.4771 40.1266 176.0075 76 S 4.1206 8.9945 123.7485 61.2779 63.4846 174.9585 77 T 4.5295 7.4251 114.4665 58.8678 70.1958 172.7622 78 M 4.1416 8.9032 127.5722 56.1342 33.4827 175.6563 79 E 5.0186 9.7366 119.6720 54.3386 34.1825 176.8893 80 A 3.9474 8.6798 123.6223 55.3955 18.5938 179.6761 81 E 4.1520 8.1000 114.3623 58.1994 29.7477 177.1709 82 D 4.6723 7.8345 116.4591 55.4515 41.3215 176.1915 83 A 4.7059 7.9037 121.6540 52.3652 18.7496 175.9274 84 A 4.4475 8.2388 126.8357 52.2489 23.2090 174.1598 85 T 5.0378 8.5202 110.1827 62.6213 72.8540 172.8662 86 Y 5.1828 9.0350 124.0622 56.4971 40.7652 174.4027 87 Y 5.3597 9.5685 121.9526 56.3786 41.5221 172.4285 88 C 4.5810 8.8020 116.7689 54.1255 40.0519 172.3955 89 H 5.1272 8.8806 120.5695 54.7435 32.3672 171.9510 90 Q 4.2917 8.4657 128.1759 55.5471 30.3300 176.0742 91 R 4.5055 8.3912 123.2311 55.8639 31.3570 176.0563 92 S 4.6812 7.9785 110.1981 57.8049 63.8028 175.9418 93 S 4.7098 6.8895 117.2177 60.2999 67.2022 178.9139 94 Y 4.1419 8.2513 129.1071 58.2888 37.4061 173.8808 95 P 4.6667 0.0000 0.0000 62.3647 32.3784 175.7353 *97 T 4.8614 7.9514 109.2824 62.0161 70.4052 172.3784 98 F 5.4397 8.7838 119.7796 55.7272 42.9758 175.2422 99 G 3.9932 9.1792 108.9519 45.8237 0.0000 173.8219 100 G 3.8524 8.8484 107.1865 45.7601 0.0000 174.8497 101 G 3.8853 9.2747 105.1059 45.0887 0.0000 173.1974 102 T 4.7310 7.7040 114.0013 61.6484 72.6608 173.4723 103 K 4.3434 9.0035 129.6769 56.1818 33.5888 175.4991 104 L 4.8651 9.0884 131.1285 53.8344 43.1136 174.2560 105 E 5.0888 9.4239 126.7213 54.8076 31.7677 176.4711 106A I 4.6870 8.3948 125.2353 60.4311 38.8711 174.9775 106B K 5.3983 9.1052 122.3539 54.4646 35.2100 175.6561 107 R 4.4614 7.6257 116.5507 54.0384 32.6001 174.3515 108 A 4.1036 8.3362 121.0087 52.4307 18.7131 177.3335 109 D 5.2367 8.7309 121.6374 55.1962 41.9201 175.8882 110 A 4.8764 9.2692 121.6020 50.5487 22.9305 175.9361 111 A 4.7651 8.9719 123.0690 50.3229 19.8367 175.2684 112 P 4.7289 0.0000 0.0000 62.8705 32.6452 176.5415 113 T 4.2559 9.1619 122.1884 63.1523 68.4202 173.8724 114 V 4.8115 8.0556 125.9957 61.7007 33.3034 175.3419 115 S 4.5546 8.3411 120.0144 57.5044 67.2666 173.1890 116 I 4.8731 8.0457 124.0811 59.2410 40.4331 174.2674 117 F 5.0614 9.2341 124.6984 55.1976 43.3565 172.4002 118 P 4.4641 0.0000 0.0000 60.3769 33.5017 173.3519 119 P 4.2029 0.0000 0.0000 62.3985 31.4932 176.8391 120 S 4.2108 8.6758 119.9039 58.1659 63.6937 175.3929 121 K 3.8580 8.8685 121.7961 60.5328 31.5136 178.7070 122 I 3.5917 7.8940 117.4093 64.9464 37.2179 177.1525 123 Q 4.0681 8.3169 119.3490 59.6830 28.9533 179.2215 124 L 4.1207 8.2592 119.9949 58.3370 41.4189 179.6752 125 T 3.8928 8.0396 115.3320 66.2856 68.4418 175.9252 126 S 4.4512 7.9459 114.0158 58.8464 63.4365 174.9682 127 G 3.9504 8.7050 111.4727 45.2117 0.0000 173.2310 128 G 4.2496 7.3996 105.0878 43.9543 0.0000 173.1162 129 A 4.3651 8.6748 123.5836 50.0861 21.9151 175.3993 130 S 4.8352 8.7055 118.5668 57.6327 64.8086 174.5312 131 V 4.1004 8.8659 128.0100 61.7172 32.3910 175.0830 132 V 4.7950 8.0383 128.3380 61.8999 33.9215 173.8111 133 C 5.2613 9.3281 125.5294 54.9856 41.2959 172.4114 134 F 5.6197 9.3107 125.4616 56.2670 40.9174 174.8823 135 L 4.5726 9.4097 126.1169 53.3619 41.8904 175.0113 136 N 5.2088 9.1359 121.1090 51.7597 41.4650 174.5776 137 N 4.7794 8.4989 116.2549 53.4106 37.0608 174.2591 138 F 5.1378 7.8387 112.2338 56.1724 41.4056 174.1947 139 Y 5.0849 8.9250 118.8774 56.1155 42.6357 172.5756 140 P 3.7102 0.0000 0.0000 61.1072 33.0243 177.0831 141 K 3.6839 7.8292 118.6129 58.4223 32.2500 176.8702 142 D 4.4746 7.4685 120.4750 53.7765 40.0450 175.2198 143 I 4.6227 7.9247 123.4175 58.9232 41.8715 173.8449 144 N 4.9067 8.5446 124.5638 51.8640 41.7842 173.1454 145 V 4.4361 8.5605 126.7777 61.2375 33.2687 175.3926 146 K 4.1367 9.0846 130.0607 56.5332 32.7344 177.1001 147 W 3.7153 9.8177 135.0000 59.0988 29.2710 179.4319 148 K 4.8124 9.3534 118.3483 58.9757 31.3240 173.3613 149 I 3.2888 9.0529 116.1040 61.9640 35.4975 173.0729 150 D 5.2706 7.7720 122.1068 55.5762 41.8394 175.7252 151 G 4.3547 9.3810 120.3603 46.0892 0.0000 174.7601 152 S 4.3444 7.7360 113.8015 58.4871 63.9070 172.7458 153 E 4.2368 7.7509 121.6605 56.2454 29.7534 178.4953 154 R 4.6813 7.1570 117.7898 54.5819 30.0980 174.8494 155 Q 3.7909 7.5443 116.5681 55.7174 29.3695 175.5138 156 N 4.8942 8.5060 122.5702 54.4276 45.7800 175.7296 157 G 3.9900 7.6475 105.6223 46.2457 0.0000 172.9105 158 V 4.8715 7.4920 118.0628 60.8365 34.2822 175.0253 159 L 4.8040 8.6405 127.8104 53.2086 44.1108 175.3557 160 N 5.3074 8.3820 118.4429 51.8410 42.3816 173.4765 161 S 4.2314 7.7656 114.1805 57.0308 66.3706 172.8963 162 W 5.8454 8.2353 120.1867 55.3552 31.0476 174.2962 163 T 4.4917 8.6435 112.4191 61.1294 70.0391 173.5499 164 D 4.7637 8.3745 122.0587 52.4861 42.7026 175.2716 165 Q 3.2547 8.0830 122.2118 55.7169 29.4780 175.4275 166 D 4.4916 8.0094 124.6193 54.1683 42.2797 176.1539 167 S 4.6583 8.3783 114.0997 57.9809 63.2798 174.9395 168 K 4.3555 8.1926 116.9329 58.4477 34.3079 176.6501 169 D 4.3580 8.7381 117.8091 54.4418 41.4812 177.1574 170 S 4.1434 8.2556 110.3092 58.1862 61.1756 172.0821 171 T 4.5589 7.5153 111.0930 61.1069 71.4556 172.8694 172 Y 4.8349 8.8086 117.6317 56.7584 42.4524 174.9421 173 S 5.2777 8.3728 114.8951 57.9098 68.1382 172.8016 174 M 5.5333 9.4213 120.4254 54.6760 36.3481 173.6265 175 S 5.3198 9.1435 117.5773 56.8910 66.4325 172.6054 176 S 5.1669 9.3393 119.9402 56.6751 65.3753 172.7298 177 T 5.1011 8.9616 122.1585 61.7288 72.3550 172.3493 178 L 4.5147 8.4429 128.6494 53.4125 43.9418 175.0209 179 T 5.0004 8.2318 122.7438 61.8494 71.2900 173.2914 180 L 4.7270 8.8864 126.4408 52.9724 46.0557 176.4730 181 T 4.1613 8.1241 110.2412 63.0446 67.2941 179.3306 182 K 3.7045 8.4734 126.4813 58.4888 35.5847 175.7644 183 D 4.6821 8.1848 124.5986 57.3110 41.6040 178.0692 184 E 4.0672 8.7272 118.8182 59.4610 29.6610 178.5848 185 Y 4.4299 7.8437 121.3348 59.9891 38.7954 177.3132 186 E 4.7885 8.6567 117.7964 56.7776 29.4760 177.3920 187 R 4.5327 7.5927 115.1680 55.8132 29.8066 175.4233 188 H 5.2006 7.7058 114.0109 53.8529 33.7916 174.7008 189 N 4.2750 8.3942 113.9340 54.5656 36.0512 178.0605 190 S 4.7695 7.6584 106.8498 56.2855 65.5182 172.3971 191 Y 4.5790 7.7611 119.0038 56.5557 39.9784 175.0120 192 T 5.0240 8.5557 119.5968 60.6513 72.2661 173.7015 193 C 4.2349 8.3920 126.0969 54.6419 41.9235 171.9222 194 E 4.9618 9.0209 127.9664 54.3664 32.0713 174.4017 195 A 5.1105 9.0706 127.0997 50.4657 22.7088 174.8588 196 T 4.6957 9.2254 119.6930 62.0217 71.1160 172.9530 197 H 4.8165 8.3962 125.5630 54.3871 33.2054 174.8455 198 K 4.2461 8.1461 125.6052 59.5516 32.7780 177.3487 199 T 4.0294 7.8343 108.9832 64.2612 68.8938 173.5112 200 S 4.5832 8.3359 114.6471 57.1851 65.5880 173.7321 201 T 3.9823 8.4330 119.8643 64.1557 67.4766 174.8078 202 S 4.4110 7.7787 116.8195 56.2070 62.8558 172.0428 203 P 4.5311 0.0000 0.0000 62.8051 31.7078 176.2996 204 I 3.9378 8.6955 125.5556 61.3186 38.3245 175.2128 205 V 4.8131 8.2396 125.4702 61.1403 34.0395 174.4908 206 K 4.7634 8.1397 126.5421 55.1677 35.9679 175.1776 207 S 4.6794 8.0615 116.5413 57.9586 67.7230 173.7287 208 F 5.2855 8.1746 115.2400 55.5241 40.8790 175.2687 209 N 4.8249 9.2415 116.7544 53.2084 39.2725 174.4319 210 R 4.6547 8.2834 116.3550 54.4161 33.9768 175.0863 211 N 4.4637 8.7130 115.9690 53.9117 39.4602 173.8770 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 Q 8.34 4.38 0.00 2.25 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.23 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 2 I 7.23 4.46 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.43 0.90 0.00 0.00 3 I 9.49 3.78 1.89 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 1.25 0.89 0.94 0.00 0.00 4 L 8.60 4.77 0.00 1.53 1.58 0.79 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.28 4.43 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 1.24 0.00 0.00 6 Q 8.20 4.78 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 7 S 8.60 4.63 0.00 3.83 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 8 P 0.00 4.29 0.00 2.07 2.04 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 9 A 8.74 4.27 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 10 I 7.60 5.17 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.72 0.93 0.00 0.00 11 M 8.97 4.87 0.00 1.87 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 12 S 9.03 5.73 0.00 3.87 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 13 A 8.53 5.07 1.22 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 14 S 9.18 5.04 0.00 3.74 3.75 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 15 P 0.00 4.48 0.00 2.02 1.99 0.00 3.72 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 2.01 2.08 0.00 16 G 9.18 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 0.00 0.00 0.00 17 E 8.08 4.18 0.00 2.09 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 0.00 2.27 2.23 0.00 18 K 8.54 5.08 0.00 1.86 1.64 0.00 1.54 0.00 0.00 2.24 0.00 0.00 2.81 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.32 7.81 19 V 8.76 4.56 1.90 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 0.78 0.00 0.00 0.89 0.00 0.00 20 T 8.22 5.04 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 21 M 9.34 4.90 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.48 0.00 22 T 8.59 5.37 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 1.36 0.00 0.00 23 C 9.50 5.24 0.00 2.86 2.91 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 24 S 9.01 5.50 0.00 3.84 3.75 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 25 A 8.76 5.00 1.28 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 0.00 0.00 26 S 7.98 4.66 0.00 3.85 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 27 S 7.27 5.04 0.00 3.92 3.32 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 28 D 8.58 4.81 0.00 2.63 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.06 4.74 1.81 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.82 0.89 0.00 0.00 30 S 8.51 4.27 0.00 4.02 3.71 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 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1.51 1.22 7.81 107 R 7.63 4.46 0.00 1.62 1.64 0.00 2.49 0.00 0.00 2.74 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00 108 A 8.34 4.10 1.28 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 0.00 0.00 109 D 8.73 5.24 0.00 2.67 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 0.00 110 A 9.27 4.88 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 0.00 111 A 8.97 4.77 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 0.00 112 P 0.00 4.73 0.00 2.05 1.80 0.00 3.78 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.81 0.00 113 T 9.16 4.26 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 114 V 8.06 4.81 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 1.09 0.00 0.00 0.94 0.00 0.00 115 S 8.34 4.55 0.00 3.98 3.44 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 0.00 116 I 8.05 4.87 1.76 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 1.65 1.06 0.96 0.00 0.00 117 F 9.23 5.06 0.00 2.90 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 0.00 118 P 0.00 4.46 0.00 1.66 0.61 0.00 3.48 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 119 P 0.00 4.20 0.00 1.52 1.64 0.00 3.30 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.44 0.00 120 S 8.68 4.21 0.00 3.97 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 0.00 121 K 8.87 3.86 0.00 1.78 1.93 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.51 7.81 122 I 7.89 3.59 1.85 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 0.45 0.89 0.00 0.00 123 Q 8.32 4.07 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 124 L 8.26 4.12 0.00 1.91 1.76 1.14 0.78 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 0.00 125 T 8.04 3.89 4.32 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 1.21 0.00 0.00 126 S 7.95 4.45 0.00 4.02 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 0.00 127 G 8.70 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 0.00 128 G 7.40 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 0.00 0.00 0.00 0.00 129 A 8.67 4.37 0.71 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 0.00 130 S 8.71 4.84 0.00 3.69 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 0.00 131 V 8.87 4.10 1.74 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 1.68 0.00 0.00 0.62 0.00 0.00 132 V 8.04 4.80 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.82 0.00 0.00 133 C 9.33 5.26 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 0.00 134 F 9.31 5.62 0.00 3.25 2.97 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 0.00 135 L 9.41 4.57 0.00 1.77 1.64 0.92 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 136 N 9.14 5.21 0.00 2.77 2.78 0.00 0.00 6.96 6.94 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 0.00 137 N 8.50 4.78 0.00 2.92 2.91 0.00 0.00 6.89 7.21 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 0.00 138 F 7.84 5.14 0.00 3.03 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 0.00 139 Y 8.93 5.08 0.00 3.11 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 0.00 140 P 0.00 3.71 0.00 1.84 1.41 0.00 3.59 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.65 0.00 141 K 7.83 3.68 0.00 0.94 0.74 0.00 1.29 0.00 0.00 1.28 0.00 0.00 2.70 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.96 1.06 7.81 142 D 7.47 4.47 0.00 2.57 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.92 4.62 1.03 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.54 1.06 0.00 0.00 144 N 8.54 4.91 0.00 2.77 2.75 0.00 0.00 6.93 7.62 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 0.00 145 V 8.56 4.44 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.89 0.00 0.00 146 K 9.08 4.14 0.00 1.76 1.75 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.36 7.81 147 W 9.82 3.72 0.00 3.36 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 0.00 148 K 9.35 4.81 0.00 2.03 1.86 0.00 1.84 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.66 1.65 7.81 149 I 9.05 3.29 1.85 0.00 0.00 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 1.30 0.72 0.93 0.00 0.00 150 D 7.77 5.27 0.00 2.59 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 0.00 151 G 9.38 4.35 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 0.00 152 S 7.74 4.34 0.00 4.13 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 0.00 153 E 7.75 4.24 0.00 2.18 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 0.00 2.46 2.36 0.00 154 R 7.16 4.68 0.00 1.79 1.92 0.00 3.31 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 155 Q 7.54 3.79 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 156 N 8.51 4.89 0.00 2.78 2.72 0.00 0.00 7.08 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 0.00 157 G 7.65 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 0.00 158 V 7.49 4.87 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 1.03 0.00 0.00 0.74 0.00 0.00 159 L 8.64 4.80 0.00 1.57 1.47 0.88 0.29 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 0.00 160 N 8.38 5.31 0.00 2.30 1.87 0.00 0.00 6.70 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 0.00 161 S 7.77 4.23 0.00 3.68 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.24 5.85 0.00 3.45 3.51 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 0.00 163 T 8.64 4.49 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 1.27 0.00 0.00 164 D 8.37 4.76 0.00 2.70 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 0.00 165 Q 8.08 3.25 0.00 1.56 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.83 0.00 0.00 0.00 0.00 0.00 2.00 1.68 0.00 166 D 8.01 4.49 0.00 2.60 2.48 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 0.00 0.00 0.00 167 S 8.38 4.66 0.00 3.84 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 0.00 168 K 8.19 4.36 0.00 1.82 1.77 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.36 7.81 169 D 8.74 4.36 0.00 2.70 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 0.00 170 S 8.26 4.14 0.00 3.86 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 0.00 171 T 7.52 4.56 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 172 Y 8.81 4.83 0.00 2.07 2.45 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 0.00 173 S 8.37 5.28 0.00 3.92 4.05 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 0.00 174 M 9.42 5.53 0.00 2.35 2.47 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.43 0.00 175 S 9.14 5.32 0.00 4.30 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 0.00 176 S 9.34 5.17 0.00 3.95 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 0.00 177 T 8.96 5.10 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 1.07 0.00 0.00 178 L 8.44 4.51 0.00 0.27 0.27 0.60 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 179 T 8.23 5.00 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 1.09 0.00 0.00 180 L 8.89 4.73 0.00 1.39 1.58 0.86 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 181 T 8.12 4.16 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 1.20 0.00 0.00 182 K 8.47 3.70 0.00 1.98 1.92 0.00 1.99 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.51 1.54 7.81 183 D 8.18 4.68 0.00 2.69 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 0.00 184 E 8.73 4.07 0.00 2.21 2.23 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 2.33 2.43 0.00 185 Y 7.84 4.43 0.00 2.96 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 0.00 186 E 8.66 4.79 0.00 2.04 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 0.00 2.51 2.38 0.00 187 R 7.59 4.53 0.00 1.83 2.11 0.00 2.94 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.42 0.00 188 H 7.71 5.20 0.00 3.21 3.01 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 N 8.39 4.28 0.00 2.67 1.98 0.00 0.00 5.89 7.64 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 0.00 190 S 7.66 4.77 0.00 3.96 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 0.00 191 Y 7.76 4.58 0.00 1.79 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 0.00 192 T 8.56 5.02 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 1.12 0.00 0.00 193 C 8.39 4.23 0.00 1.73 2.44 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 0.00 194 E 9.02 4.96 0.00 1.94 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 2.14 2.16 0.00 195 A 9.07 5.11 1.06 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 0.00 0.00 0.00 0.00 0.00 196 T 9.23 4.70 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 197 H 8.40 4.82 0.00 3.01 3.00 0.00 5.90 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 0.00 198 K 8.15 4.25 0.00 1.55 1.42 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.42 7.81 199 T 7.83 4.03 4.30 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 1.39 0.00 0.00 200 S 8.34 4.58 0.00 3.76 3.71 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 0.00 201 T 8.43 3.98 4.23 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 1.20 0.00 0.00 202 S 7.78 4.41 0.00 4.04 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 0.00 203 P 0.00 4.53 0.00 2.09 2.07 0.00 3.74 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 1.96 2.06 0.00 204 I 8.70 3.94 1.82 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 1.10 0.49 0.88 0.00 0.00 205 V 8.24 4.81 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 0.74 0.00 0.00 0.90 0.00 0.00 206 K 8.14 4.76 0.00 1.54 1.57 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.44 7.81 207 S 8.06 4.68 0.00 3.67 3.70 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 0.00 208 F 8.17 5.29 0.00 3.17 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 0.00 209 N 9.24 4.82 0.00 2.76 2.89 0.00 0.00 6.77 7.66 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 0.00 210 R 8.28 4.65 0.00 1.85 1.86 0.00 3.19 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 211 N 8.71 4.46 0.00 2.71 2.75 0.00 0.00 6.95 7.56 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 * Residues marked with a * may have inaccurate shift predictions.