NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 G 4.1667 8.3544 109.7653 45.9557 0.0000 172.4553 11 R 5.2709 8.8928 124.3620 54.2840 33.8636 172.5335 12 F 5.6864 9.0701 121.3017 56.1088 42.5989 171.7281 13 A 5.2562 9.3494 120.3618 50.4374 21.8556 175.9732 14 Q 4.5950 9.4936 122.4087 54.6247 29.1336 174.6194 15 S 4.3982 9.7420 117.7567 58.7124 65.7082 175.1469 16 Q 4.6880 8.4450 120.3359 54.6552 31.0862 175.4992 17 T 4.5165 8.2798 109.6809 61.2846 70.2662 175.8313 18 R 4.0178 8.7413 121.4934 59.9143 29.8427 179.0610 19 E 4.0201 8.1887 117.4427 59.5269 29.2038 179.0111 20 D 4.1945 7.5645 117.7428 57.4848 40.8907 178.0308 21 Y 4.1937 7.0115 115.5119 59.9778 38.1279 177.2203 22 L 4.3214 7.8453 118.7389 55.7579 41.7840 178.5051 23 A 3.9729 7.4168 121.9018 55.2769 18.2709 178.5786 24 L 4.3415 7.9447 111.9987 55.6801 42.2979 177.3206 25 L 4.3152 7.7575 118.0422 55.7047 43.2174 176.7061 26 A 4.5174 7.4589 120.0466 51.3367 22.0425 176.3367 27 E 4.2721 8.8742 117.5352 55.4470 30.8902 177.5921 28 D 4.5032 8.9646 119.4080 58.3141 40.8699 179.6359 29 I 3.9045 7.6635 109.6096 62.9706 37.9311 176.2079 30 E 4.2546 8.2629 120.1850 56.5413 29.7892 175.7240 31 R 5.0066 7.6965 118.5402 54.6211 32.2616 176.0095 32 D 4.8184 8.7581 120.6367 52.2670 40.6712 175.0609 33 I 4.4944 7.3418 118.9200 57.7110 39.0028 172.8903 34 P 4.2555 0.0000 0.0000 62.6188 31.8229 176.0047 35 Y 4.0816 8.6105 123.3696 57.8617 39.1029 175.0399 36 D 4.2382 7.6507 126.2266 51.9701 43.1698 173.0190 37 P 4.0965 0.0000 0.0000 63.9710 31.9078 176.1812 38 E 4.0702 8.1228 121.5823 54.9685 29.9820 174.5466 39 P 4.3781 0.0000 0.0000 62.7596 32.0600 176.4489 40 I 3.7355 8.4855 123.8170 63.1402 37.1305 177.5437 41 G 3.7622 8.0058 105.9953 46.1724 0.0000 173.3313 42 R 4.4235 7.6305 119.4878 54.7695 30.1760 176.5419 43 Y 4.5192 7.9714 117.8997 58.6066 38.7983 176.4374 44 N 5.1657 7.6597 117.7023 52.5296 39.0912 172.8130 45 V 3.9118 9.1150 122.2874 62.1789 32.7435 174.8087 46 A 4.9868 8.5065 128.9882 49.1455 22.0068 174.0012 47 P 3.0818 0.0000 0.0000 63.8050 31.7169 177.3437 48 G 3.6784 8.2964 109.3396 45.5861 0.0000 173.5719 49 T 4.6875 7.1221 109.3750 59.9000 71.6716 174.0960 50 K 4.8335 8.6436 122.1142 56.3910 32.9889 176.7577 51 V 4.5598 9.0847 124.7266 60.5814 34.9458 174.5438 52 L 4.3670 8.6803 127.3659 55.1199 42.1296 176.0759 53 L 4.0926 8.8240 126.6117 52.7318 45.2007 174.6238 54 L 5.0114 8.1349 128.6006 53.8912 44.0605 175.3044 55 S 4.8491 8.9048 119.3140 57.5406 67.0995 172.1023 56 E 5.3078 8.7088 120.9879 54.4104 31.7315 174.8223 57 R 4.5406 9.0557 124.5752 56.4612 32.7228 174.9645 58 D 4.4705 9.3231 116.0689 54.9754 37.1143 173.8109 59 E 3.9561 8.5945 114.4252 57.9765 27.7151 174.2276 60 H 5.2101 8.1135 114.4969 53.8148 33.5059 172.6274 61 L 4.8722 8.8947 121.4582 54.9398 42.8536 175.8660 62 H 5.1975 9.6296 120.6319 53.7770 32.5920 172.7307 63 L 5.1100 8.5798 122.7013 53.5953 44.1204 175.1342 64 D 5.1991 8.8514 126.3412 51.6253 44.8142 173.5817 65 P 4.9974 0.0000 0.0000 62.5960 32.3038 175.5895 66 V 4.7000 8.8817 124.9225 60.3366 35.1973 174.3746 67 F 4.7405 9.2630 129.5596 58.7797 40.6031 173.7392 68 W 3.8207 9.1856 135.0000 58.4962 30.7109 174.9218 69 G 4.2262 7.1337 118.5922 44.6250 0.0000 169.4889 70 Y 5.2939 8.4978 122.3167 56.1366 42.4082 173.3341 71 A 5.2045 8.0985 128.7970 49.1708 20.3171 174.2291 72 P 4.2642 0.0000 0.0000 62.2857 32.4485 177.6029 73 G 3.9505 8.9943 112.2798 49.3006 0.0000 175.3309 *74 W 4.1726 7.0348 122.1253 54.8773 26.6227 178.3422 *76 D 4.5685 7.8664 119.3957 53.9021 42.5675 175.1233 77 K 4.6106 7.5641 116.4397 52.4984 35.4565 177.6859 78 P 4.4078 0.0000 0.0000 62.8586 31.7628 174.9957 79 P 4.5506 0.0000 0.0000 62.6929 32.3232 176.1954 80 L 4.4102 8.8001 122.1173 55.1360 42.4819 177.8076 81 I 4.4679 8.5433 113.3117 60.4214 40.1192 174.5116 82 N 5.7960 8.3599 117.9458 51.2577 42.5024 173.6519 83 A 4.5896 8.5627 121.9115 50.0175 22.2507 175.7570 84 R 4.3278 8.7192 122.6077 55.9391 29.6140 178.2206 85 V 3.6009 9.0234 124.6178 64.9236 31.7818 178.5821 86 E 4.2222 8.4196 119.9648 58.4670 29.6987 177.4576 87 T 4.4390 7.3760 106.5477 61.2036 70.6335 175.9334 88 A 4.0826 8.2591 125.8779 55.2699 18.4224 179.5640 89 A 3.4166 7.0481 116.8113 54.0660 18.3737 177.9568 90 T 4.4065 6.8024 103.8263 61.0649 69.9668 174.7151 91 S 4.1456 7.8264 118.8913 58.4750 62.8065 175.2765 92 R 4.0931 8.4830 122.8361 57.7242 29.5101 177.5218 *94 F 5.1092 8.0161 118.6185 57.1378 41.2069 177.1521 95 K 4.0041 8.4380 121.3284 59.9138 31.9791 177.2701 96 P 4.5395 0.0000 0.0000 65.3096 31.2069 178.5866 97 L 4.0660 8.0376 117.5006 57.3651 41.4111 179.0125 98 W 4.0056 8.5257 128.0888 60.4035 30.6418 177.7016 99 Q 4.0776 7.9527 117.2548 58.0672 28.4692 176.4724 100 H 4.8319 8.3508 113.4955 55.2262 30.9338 174.2400 101 G 4.7715 8.0416 107.6820 44.8598 0.0000 173.2655 102 R 4.6085 7.9958 118.4148 55.9977 31.0135 175.7231 103 A 4.6979 9.0570 122.9397 51.3256 23.6707 174.7994 104 I 4.5786 8.8581 119.1881 59.6808 40.9795 174.8092 105 C 4.3143 8.2920 126.9651 57.2417 32.4492 173.1432 106 F 4.8038 7.5082 121.4568 56.9108 39.0596 174.2823 107 A 4.5483 8.3205 120.5807 51.6067 22.5617 177.1804 108 D 4.4258 9.5832 119.8118 55.4317 41.4294 177.1639 109 G 3.8097 7.0901 104.9910 46.1073 0.0000 171.0424 110 W 5.5712 7.4588 116.0391 54.6293 31.9253 174.2069 111 F 5.3934 9.5550 119.4747 55.9541 40.6282 175.0816 112 E 5.1691 8.8938 122.4124 54.5506 33.7279 173.6821 113 W 5.0391 9.6560 125.1270 55.5090 30.1282 176.2450 114 K 4.7458 9.5763 127.2969 58.7649 32.5222 177.3734 *121 Q 4.6816 7.9577 118.7607 55.4886 31.2232 172.7782 122 P 4.5005 0.0000 0.0000 62.5656 32.8721 174.6930 123 F 5.2142 9.3753 120.0015 55.6811 43.4361 173.5386 124 F 5.1072 9.1038 123.8569 56.4696 41.7966 174.1637 125 I 4.5166 7.2420 126.8659 59.3620 39.9629 174.2127 126 Y 4.8031 7.4283 123.0727 55.5662 42.1044 174.2792 127 R 4.6322 8.8243 119.0427 55.9561 30.7950 178.1083 128 A 4.0776 8.8445 126.4483 55.1070 18.4615 178.0747 129 D 4.5411 8.1330 112.7464 53.2839 39.8259 177.5173 130 G 3.9778 8.2252 108.0417 45.9754 0.0000 174.2648 131 Q 4.2535 7.9302 118.3087 54.6992 29.4467 174.1609 132 P 4.6680 0.0000 0.0000 62.6400 32.4649 175.8368 133 I 4.1923 8.3651 115.6646 59.9785 39.8535 175.0532 134 F 4.9752 8.3345 122.4529 55.5963 42.8065 173.8622 *136 A 3.9211 8.2488 119.6537 51.8401 19.7701 175.6793 137 A 5.3427 9.1027 122.7046 50.1000 23.2908 174.9744 138 I 5.1258 8.4432 112.2172 59.6881 41.6829 174.8978 139 G 4.3981 8.7308 109.4205 46.3771 0.0000 171.9532 140 S 5.0496 9.0214 116.4824 56.9204 62.0924 174.5871 141 T 3.4997 7.8658 117.8306 60.1534 69.4585 172.5924 142 P 4.2944 0.0000 0.0000 62.4752 31.8221 177.5464 143 F 4.5555 8.6158 121.3285 60.2134 39.1505 176.7813 144 E 4.3125 8.2170 116.7766 57.5758 29.6305 177.6617 145 R 4.0425 7.6947 114.8080 56.7171 30.1516 176.2949 146 G 3.8752 7.7379 105.8277 46.2951 0.0000 173.8101 147 D 4.4160 8.2133 117.4537 54.4164 41.9143 175.6951 148 E 3.9586 8.5710 123.7444 57.3548 30.5412 176.8922 149 A 4.0650 7.8640 117.8758 52.5363 22.5215 175.1400 150 E 4.4161 9.1820 116.5248 53.9353 28.4683 177.9754 151 G 4.7739 9.4998 116.6214 46.3006 0.0000 171.6887 152 F 5.8393 9.7471 121.0619 54.8136 41.6106 173.3363 153 L 5.3400 9.2264 118.7923 52.9966 45.6994 175.8445 154 I 4.5512 8.6033 123.0993 60.5991 38.7657 175.4824 155 V 4.4875 8.7423 128.2836 63.0108 32.6172 175.0746 156 T 5.0114 8.9215 117.3527 59.9771 72.2037 172.5361 157 A 5.0890 8.9276 122.9550 49.6787 23.3242 175.2743 158 A 4.4795 8.5584 120.5286 51.6619 19.1180 177.7080 159 A 4.2291 8.8076 124.1647 52.3749 19.2171 176.9592 160 D 4.9587 8.3926 119.3883 52.3204 43.9419 177.1469 161 Q 3.1671 8.4750 119.5847 57.0446 28.1703 178.2025 162 G 3.9973 8.8820 114.5454 49.1302 0.0000 174.9214 163 L 3.3979 7.8970 120.2533 57.2710 41.1736 179.6039 164 V 3.6300 7.4015 111.4670 64.2656 31.4718 177.7517 165 D 4.4617 7.8481 117.3394 56.1253 40.9260 177.9849 166 I 3.8841 7.2486 120.4580 61.9806 37.7838 174.9093 167 H 4.7839 6.7972 114.3611 55.3363 32.4763 173.0898 168 D 4.5876 8.0569 122.6320 56.0716 41.7365 176.1291 169 R 5.2923 8.1566 115.9941 54.4789 34.0005 174.7027 170 R 4.4788 8.6334 115.8188 54.1816 33.2236 172.7149 171 P 4.3738 0.0000 0.0000 62.0934 32.1769 176.1651 172 L 3.9868 8.4769 126.2653 55.1052 42.5378 176.1328 173 V 4.4659 8.3296 126.5542 61.0789 34.0449 174.1329 174 L 5.2955 8.7169 127.9992 52.5996 44.1097 176.6774 175 S 4.3541 8.5485 116.7491 57.9334 64.0255 173.4481 176 P 3.9819 0.0000 0.0000 65.7764 31.0296 178.5260 177 E 3.8569 8.1287 117.1271 59.3859 29.7089 178.6619 178 A 4.0316 8.0620 120.5570 54.9479 18.1662 179.4275 179 A 3.8999 8.3462 118.9400 55.2764 18.5068 179.5199 180 R 3.9360 7.7115 116.0657 59.5658 30.2285 178.3075 181 E 4.1613 8.0204 117.3148 58.9595 29.5124 179.4255 182 W 4.1597 8.2948 126.2548 57.1709 31.7469 175.4058 *184 R 4.5387 7.4977 114.4532 55.5880 30.6753 176.8792 185 Q 3.9025 9.1004 124.4209 59.4017 28.8702 178.2918 186 E 4.1302 8.0713 112.5786 57.2553 30.1429 180.3021 187 I 4.4861 6.9778 111.2034 60.1303 39.1152 176.6445 188 S 4.4743 8.9137 119.5011 57.5884 65.0517 175.6019 189 G 3.8728 8.5896 108.8136 48.0830 0.0000 175.6999 190 K 4.0402 8.0953 121.5644 59.3518 32.2291 178.5795 191 E 4.0173 8.2720 118.6027 59.3740 29.2815 179.1606 192 A 4.0451 8.5118 121.2809 55.3228 18.3860 179.8936 193 S 4.6282 8.7852 114.0071 61.7660 62.8799 176.5019 194 E 4.0112 8.4192 122.1069 59.4087 29.3609 178.8740 195 I 3.7583 8.2178 119.8373 64.4679 36.7146 178.2459 196 A 3.9398 8.6782 121.6021 55.0004 17.9784 179.6052 197 A 3.8576 7.8082 118.1002 55.5296 18.7133 179.8868 198 S 4.3540 8.2759 111.4790 60.6694 63.5668 175.7493 199 G 3.9243 8.3279 107.8350 43.6275 0.0000 172.7828 200 C 4.5806 6.9945 122.2423 59.5953 32.1945 173.2695 201 V 3.9052 8.9008 127.7048 61.9304 31.5304 174.0783 202 P 4.7328 0.0000 0.0000 62.1488 32.5558 177.1644 203 A 4.4260 9.3147 124.4505 55.4514 18.4786 179.9239 204 N 4.3197 8.1796 112.0515 55.7605 37.4343 175.8632 205 Q 4.0362 8.0809 117.0012 56.5900 29.1842 175.4545 206 F 5.3746 7.7300 116.9128 56.0384 41.2161 174.7194 207 S 4.4290 8.2187 118.3679 56.6301 66.7952 172.9332 208 W 5.6831 7.7517 116.0985 56.9158 30.4807 173.2787 209 H 5.3558 8.7760 115.5762 53.4508 31.8279 170.8515 210 P 3.9584 0.0000 0.0000 63.0687 32.3824 175.3162 211 V 5.1491 7.9340 114.4936 58.9624 35.6541 175.5588 212 S 4.1950 8.5794 118.0070 59.1727 63.4552 176.2225 213 R 4.2430 8.4887 122.6123 60.3184 29.3512 179.2480 214 A 4.2976 7.9871 119.2728 55.6756 18.1263 179.7138 215 V 3.6100 7.2929 115.9227 64.5961 31.2244 178.2636 216 G 4.2343 7.9911 106.0591 46.7129 0.0000 172.9825 217 N 4.5967 7.9566 121.3035 52.2585 38.4805 175.9787 218 V 3.7400 8.2997 120.1163 63.6786 31.8571 177.9991 219 K 4.1152 8.1467 118.9165 58.6787 32.1164 177.2035 220 N 4.5856 8.0300 117.4288 53.3130 38.6621 174.8573 221 Q 4.6270 8.5616 119.9486 55.3371 31.2747 175.5528 222 G 3.8628 8.1697 106.8351 44.3939 0.0000 175.1190 223 A 2.0000 8.0543 122.8503 53.9742 18.0523 179.8130 224 E 3.8963 7.7920 115.1780 58.7187 29.4561 178.9488 225 L 4.0056 7.5032 119.8439 56.8182 41.7042 178.0822 226 I 3.7837 6.9040 110.0103 59.9180 38.3760 175.7607 227 Q 4.2362 7.0688 120.3727 54.3529 29.5262 174.1638 228 P 4.5748 0.0000 0.0000 63.0912 31.9794 176.7695 229 V 3.9726 7.9237 111.8588 61.7058 32.1898 175.6784 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 10 G 8.35 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.89 5.27 0.00 2.46 2.34 0.00 3.46 0.00 0.00 3.62 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.88 0.00 12 F 9.07 5.69 0.00 3.50 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 13 A 9.35 5.26 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 9.49 4.59 0.00 2.30 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 15 S 9.74 4.40 0.00 3.01 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 16 Q 8.44 4.69 0.00 1.28 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.93 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 17 T 8.28 4.52 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 1.24 0.00 0.00 18 R 8.74 4.02 0.00 1.88 2.10 0.00 3.11 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.83 0.00 19 E 8.19 4.02 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 20 D 7.56 4.19 0.00 2.31 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 0.00 0.00 0.00 21 Y 7.01 4.19 0.00 1.99 1.70 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 22 L 7.85 4.32 0.00 1.73 1.73 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.42 3.97 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 24 L 7.94 4.34 0.00 1.81 1.78 1.11 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.76 4.32 0.00 1.52 1.55 0.64 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.46 4.52 1.18 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 0.00 0.00 27 E 8.87 4.27 0.00 1.93 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 2.24 2.15 0.00 28 D 8.96 4.50 0.00 2.77 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 29 I 7.66 3.90 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 1.41 0.52 0.91 0.00 0.00 30 E 8.26 4.25 0.00 2.05 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 2.25 2.35 0.00 31 R 7.70 5.01 0.00 1.95 1.86 0.00 3.14 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 32 D 8.76 4.82 0.00 2.39 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 0.00 0.00 0.00 33 I 7.34 4.49 1.92 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 1.52 0.92 0.98 0.00 0.00 34 P 0.00 4.26 0.00 2.07 2.07 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 35 Y 8.61 4.08 0.00 2.92 2.95 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 36 D 7.65 4.24 0.00 2.51 2.36 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 37 P 0.00 4.10 0.00 2.21 2.17 0.00 3.64 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 38 E 8.12 4.07 0.00 1.92 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 2.32 2.33 0.00 39 P 0.00 4.38 0.00 2.10 2.09 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 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0.00 0.00 0.00 0.00 2.10 1.94 0.00 123 F 9.38 5.21 0.00 2.72 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 0.00 124 F 9.10 5.11 0.00 2.96 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 0.00 125 I 7.24 4.52 0.56 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.24 -0.31 0.00 0.00 126 Y 7.43 4.80 0.00 2.91 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 0.00 127 R 8.82 4.63 0.00 2.17 2.13 0.00 3.20 0.00 0.00 3.57 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.89 0.00 128 A 8.84 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 0.00 129 D 8.13 4.54 0.00 2.79 2.79 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 0.00 0.00 0.00 130 G 8.23 3.98 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 0.00 0.00 0.00 131 Q 7.93 4.25 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 132 P 0.00 4.67 0.00 1.28 2.10 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 133 I 8.37 4.19 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.67 1.12 0.00 0.00 134 F 8.33 4.98 0.00 3.17 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *136 A 8.25 3.92 0.28 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 0.00 137 A 9.10 5.34 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.44 5.13 1.94 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 1.20 1.02 1.02 0.00 0.00 139 G 8.73 4.40 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 0.00 140 S 9.02 5.05 0.00 4.25 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 0.00 141 T 7.87 3.50 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 0.73 0.00 0.00 142 P 0.00 4.29 0.00 2.30 2.18 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 143 F 8.62 4.56 0.00 3.16 3.09 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 0.00 144 E 8.22 4.31 0.00 2.12 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 2.26 0.00 145 R 7.69 4.04 0.00 2.01 2.12 0.00 3.20 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.69 0.00 146 G 7.74 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 0.00 147 D 8.21 4.42 0.00 2.72 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.57 3.96 0.00 1.82 1.71 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 2.19 2.22 0.00 149 A 7.86 4.07 1.08 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 0.00 150 E 9.18 4.42 0.00 1.87 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 0.00 1.90 2.09 0.00 151 G 9.50 4.77 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 0.00 0.00 0.00 152 F 9.75 5.84 0.00 3.30 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 0.00 153 L 9.23 5.34 0.00 1.49 1.54 0.69 0.94 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 0.00 154 I 8.60 4.55 1.97 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.82 0.73 0.00 0.00 155 V 8.74 4.49 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 1.10 0.00 0.00 1.12 0.00 0.00 156 T 8.92 5.01 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 157 A 8.93 5.09 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 0.00 158 A 8.56 4.48 1.23 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 0.00 0.00 159 A 8.81 4.23 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 0.00 160 D 8.39 4.96 0.00 2.82 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 0.00 161 Q 8.47 3.17 0.00 2.36 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 162 G 8.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 L 7.90 3.40 0.00 1.83 1.56 1.07 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 164 V 7.40 3.63 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 0.75 0.00 0.00 0.96 0.00 0.00 165 D 7.85 4.46 0.00 2.76 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 0.00 166 I 7.25 3.88 1.57 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.33 0.65 0.00 0.00 167 H 6.80 4.78 0.00 3.08 3.12 0.00 5.73 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 0.00 168 D 8.06 4.59 0.00 2.54 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 0.00 169 R 8.16 5.29 0.00 1.75 1.82 0.00 3.38 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 170 R 8.63 4.48 0.00 1.48 1.98 0.00 2.90 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 171 P 0.00 4.37 0.00 1.14 1.50 0.00 2.20 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.26 0.00 172 L 8.48 3.99 0.00 1.47 1.55 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 173 V 8.33 4.47 2.32 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 1.13 0.00 0.00 0.85 0.00 0.00 174 L 8.72 5.30 0.00 1.42 1.47 0.25 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 175 S 8.55 4.35 0.00 3.94 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 P 0.00 3.98 0.00 2.17 2.22 0.00 3.66 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.41 0.00 177 E 8.13 3.86 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 178 A 8.06 4.03 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 0.00 179 A 8.35 3.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 R 7.71 3.94 0.00 1.80 2.07 0.00 3.27 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 181 E 8.02 4.16 0.00 2.19 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 2.54 2.47 0.00 182 W 8.29 4.16 0.00 3.30 3.26 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 *184 R 7.50 4.54 0.00 1.98 1.84 0.00 3.44 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.91 0.00 185 Q 9.10 3.90 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.98 0.00 0.00 0.00 0.00 0.00 2.56 2.43 0.00 186 E 8.07 4.13 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.86 0.00 187 I 6.98 4.49 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.88 0.87 0.00 0.00 188 S 8.91 4.47 0.00 4.08 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 G 8.59 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 0.00 0.00 0.00 190 K 8.10 4.04 0.00 1.88 1.86 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.58 7.81 191 E 8.27 4.02 0.00 2.24 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 2.35 0.00 192 A 8.51 4.05 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 S 8.79 4.63 0.00 4.22 4.06 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 0.00 194 E 8.42 4.01 0.00 2.09 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 2.36 2.54 0.00 195 I 8.22 3.76 2.25 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.76 1.08 0.00 0.00 196 A 8.68 3.94 1.60 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 0.00 0.00 197 A 7.81 3.86 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 S 8.28 4.35 0.00 4.06 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 G 8.33 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 0.00 200 C 6.99 4.58 0.00 3.06 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 0.00 201 V 8.90 3.91 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 0.40 0.00 0.00 0.98 0.00 0.00 202 P 0.00 4.73 0.00 2.33 2.14 0.00 3.82 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 2.06 1.93 0.00 203 A 9.31 4.43 1.66 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 0.00 204 N 8.18 4.32 0.00 2.81 3.17 0.00 0.00 6.05 7.39 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 0.00 205 Q 8.08 4.04 0.00 1.82 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.17 0.00 206 F 7.73 5.37 0.00 3.42 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 0.00 207 S 8.22 4.43 0.00 3.11 3.39 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 0.00 208 W 7.75 5.68 0.00 3.16 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 0.00 209 H 8.78 5.36 0.00 3.22 3.53 0.00 5.46 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 P 0.00 3.96 0.00 1.87 1.58 0.00 3.69 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 1.98 1.89 0.00 211 V 7.93 5.15 2.25 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 0.87 0.00 0.00 0.98 0.00 0.00 212 S 8.58 4.19 0.00 3.97 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 0.00 213 R 8.49 4.24 0.00 1.84 1.97 0.00 3.25 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 214 A 7.99 4.30 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 0.00 215 V 7.29 3.61 1.71 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 0.56 0.00 0.00 -0.14 0.00 0.00 216 G 7.99 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 0.00 0.00 0.00 0.00 217 N 7.96 4.60 0.00 2.85 2.87 0.00 0.00 7.23 7.50 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 0.00 218 V 8.30 3.74 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 0.74 0.00 0.00 0.91 0.00 0.00 219 K 8.15 4.12 0.00 1.90 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.40 7.81 220 N 8.03 4.59 0.00 2.95 2.74 0.00 0.00 6.76 7.28 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 0.00 221 Q 8.56 4.63 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.02 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 222 G 8.17 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 0.00 0.00 0.00 223 A 8.05 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 E 7.79 3.90 0.00 2.07 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 0.00 2.27 2.27 0.00 225 L 7.50 4.01 0.00 1.73 1.71 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 226 I 6.90 3.78 0.65 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 1.54 0.39 0.48 0.00 0.00 227 Q 7.07 4.24 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 228 P 0.00 4.57 0.00 2.07 1.78 0.00 3.59 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.84 0.00 229 V 7.92 3.97 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 0.66 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.