NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 N 4.5793 8.4201 118.1264 52.4433 40.7065 174.0781 14 A 4.3880 7.8110 121.0086 48.3294 20.0939 172.8870 15 E 4.3376 8.8843 123.4822 55.2836 32.4985 174.0893 16 A 4.4004 8.1076 121.2653 51.6318 19.5603 177.7152 17 L 4.0425 8.6121 121.1296 56.7347 42.6166 177.7432 18 Q 3.8583 7.8875 113.6884 55.7757 26.0765 173.7536 19 L 4.3339 8.3044 119.4753 54.1667 43.1086 177.8484 20 N 5.0431 8.3703 119.7369 51.9573 38.7407 176.1102 21 S 4.1475 8.4800 112.3752 61.6648 62.8147 176.6028 22 T 3.8515 7.9210 119.0437 66.5247 68.5389 176.3922 23 E 3.8924 8.3828 120.5077 59.4244 29.5639 179.5746 24 V 3.5555 7.9169 118.1908 65.9379 31.5828 178.0722 25 R 3.8354 7.9087 118.2197 59.9172 29.8997 177.8467 26 I 3.5986 7.8782 119.3098 64.6504 37.0266 177.8656 27 L 4.0545 8.1070 118.6866 58.1191 41.7289 179.7722 28 G 3.8980 7.8695 105.0964 48.4920 0.0000 175.3851 29 C 4.2562 8.1760 119.5381 62.1409 28.1144 176.2394 30 L 4.2142 8.2851 120.8780 57.9506 41.3713 179.6935 31 I 3.6009 7.9078 119.7073 64.1892 37.0635 177.9914 32 E 3.8884 8.5656 120.4331 59.5273 29.4631 179.1707 33 K 4.2593 8.4115 120.0989 58.6601 31.8815 178.9913 34 Q 3.3310 7.6801 119.1246 59.0488 28.7572 178.1657 35 A 4.1536 7.5610 120.1704 54.1509 18.8913 178.6868 36 T 4.5077 7.9361 107.6700 61.9562 70.9298 173.9529 37 N 5.4204 8.5520 118.6657 49.0694 37.8762 172.5408 38 P 4.2462 0.0000 0.0000 66.6688 31.2624 179.0290 39 E 4.1832 8.2549 117.1835 58.3286 29.6039 177.7577 40 T 4.4785 8.0026 114.0670 63.2109 69.6306 173.5226 41 Y 4.7542 7.5761 123.2615 54.5211 40.7037 173.4301 42 P 2.9700 0.0000 0.0000 62.3732 32.2287 175.7476 43 L 4.6729 8.3617 121.7079 54.5417 43.2725 176.9552 44 T 4.6764 8.3834 112.4588 60.7417 70.3581 175.1430 45 L 3.9901 8.9703 123.1647 58.7155 42.0214 178.7508 46 N 4.2996 8.2312 115.3706 56.3416 38.5547 176.9832 47 A 4.0223 8.0367 122.1070 55.1457 18.5085 179.5079 48 L 3.9389 8.0256 118.7182 58.4402 42.3373 179.6531 49 V 3.6545 8.0868 112.6240 64.2893 30.6285 178.5185 50 I 3.6919 7.9713 119.4707 64.5215 36.7889 178.3834 51 A 4.3975 7.8849 119.9484 55.0809 18.1968 179.0721 52 C 4.3008 7.7788 114.6970 62.0699 28.3340 174.8438 53 N 4.7888 7.6058 115.1267 52.0704 38.8217 175.2785 54 Q 4.1619 6.9059 120.6885 55.9703 29.3684 177.2109 55 K 4.1338 8.7334 121.3594 58.6563 32.3824 177.4576 56 T 4.5383 7.6001 107.5348 60.7536 71.0433 174.3754 57 S 4.0867 8.8078 116.5362 59.2817 60.5265 171.5960 58 R 4.6683 7.5136 118.6126 54.4061 32.8141 174.8211 59 D 4.6494 9.1224 123.7032 52.2870 43.5541 172.9431 60 P 4.7836 0.0000 0.0000 60.9051 33.6594 175.2439 61 V 3.6184 8.1294 119.9508 63.2447 32.4370 175.4322 *63 N 4.6425 8.1777 117.8790 53.1364 39.1190 174.9353 64 L 4.3609 7.7371 118.2898 54.6500 43.4046 177.9155 65 T 4.4245 9.1317 113.1594 60.4345 71.3141 175.3389 66 Q 4.0236 8.6461 120.8020 59.5066 29.0305 178.3002 67 G 3.6097 7.9999 106.3310 47.6792 0.0000 175.5577 68 Q 3.9582 7.7388 119.4649 58.7646 28.7049 178.9567 69 V 3.5631 7.6042 118.7742 65.9600 31.5458 177.9930 70 G 3.6551 8.5745 105.9551 48.0068 0.0000 175.5121 71 Q 4.0027 8.1303 120.0337 59.0063 28.8208 178.5715 72 S 4.1872 8.0216 117.0766 61.0826 62.7751 176.6891 73 L 3.5596 7.8992 122.1372 57.6877 41.2004 179.7767 74 R 4.0046 7.7959 117.8015 58.8836 29.5152 179.0342 75 A 3.9524 8.4189 121.0106 55.2256 18.4759 179.6303 76 L 3.9406 8.1867 117.9743 57.9026 41.6066 179.4260 77 E 4.4593 7.6154 120.7074 58.8273 29.4144 179.0478 78 G 3.7314 7.9803 104.6832 47.7250 0.0000 174.9008 79 R 4.3596 7.4957 116.8262 55.7035 30.1985 177.0718 80 G 3.9669 7.9854 106.7553 46.3359 0.0000 174.4490 81 L 4.8303 8.0888 119.0267 54.3944 43.5472 176.1208 82 T 5.3197 7.8888 108.5865 59.8294 73.0323 172.7645 83 R 4.7107 9.1021 122.2226 54.4996 33.5603 173.7024 84 L 3.0373 8.2312 128.1362 54.4979 42.5764 176.2175 85 V 4.0342 8.1999 126.3866 60.9355 34.7376 174.5489 *87 G 3.8954 8.3743 112.1095 44.9351 0.0000 173.3114 88 S 4.2016 8.4294 113.4274 60.7559 63.4498 175.8191 89 R 3.9721 7.9693 120.1309 57.7993 30.1692 175.5105 90 A 4.2873 7.0540 116.7674 51.3228 21.4157 175.0176 91 D 4.5466 8.0097 119.7314 54.6026 41.9855 176.2406 92 R 4.8593 8.4981 121.3067 54.1539 34.4541 174.6281 93 W 5.4447 9.8001 121.0269 54.9242 33.2488 174.4289 94 E 5.1217 9.1278 121.2657 54.5359 32.5193 175.0105 95 H 5.1418 8.9970 116.8680 54.6935 30.3461 174.8576 96 K 4.7804 8.7476 117.2789 56.1475 33.1393 179.1286 97 V 3.7702 8.2400 120.9130 65.8667 32.5452 177.4712 98 D 4.3302 8.3287 119.1496 56.3963 39.3496 178.3704 99 K 3.9250 8.2969 121.6797 58.7566 32.6281 178.8607 100 G 3.6704 8.5046 106.9924 48.4299 0.0000 174.2384 101 L 4.4408 8.1191 117.3272 53.1522 42.2252 176.7820 102 E 3.8931 7.4891 115.3692 57.2216 26.9209 173.6835 103 L 4.9436 8.1737 117.5496 52.0712 45.5812 178.3144 104 V 3.8813 8.4858 116.1447 60.4969 33.4429 175.7731 105 P 4.2046 0.0000 0.0000 65.7941 31.1049 178.6007 106 A 3.6202 7.9329 118.9085 55.4861 18.1246 179.5791 107 Q 3.9547 8.0413 115.7622 59.0767 28.7264 179.0927 108 V 3.5698 7.7413 119.3286 65.9129 31.5489 178.1060 109 I 3.6736 8.1101 119.8974 64.3194 36.9458 177.9724 110 L 3.9272 8.0905 119.6939 58.4613 41.5588 179.6344 111 T 3.9523 8.2061 115.6255 66.7711 68.4654 176.4176 112 G 3.7082 8.2222 107.4319 48.0238 0.0000 175.4097 113 L 4.0193 8.3459 122.2208 57.5081 41.5886 179.8140 114 L 4.2260 8.1983 118.9405 57.6714 41.3028 179.5521 115 L 3.8220 8.0858 118.5295 57.8950 41.8364 179.3994 116 L 4.2132 8.0731 118.7278 57.0485 41.3468 178.6092 117 R 4.5633 7.5452 113.3453 54.4236 33.0261 177.2486 118 G 3.8112 8.3643 106.1544 44.4224 0.0000 171.4822 119 P 5.2070 0.0000 0.0000 62.9380 31.8117 176.1727 120 Q 4.8666 8.6422 122.6460 54.1977 33.4640 174.8841 121 T 4.8512 10.0848 117.2750 60.9041 68.7751 175.7487 122 V 3.5198 8.7542 124.7298 66.3209 31.3835 178.4520 123 S 4.1376 7.8057 113.6264 61.3949 62.8448 176.2870 124 E 3.9496 8.1247 121.7500 59.2390 29.2847 179.1479 125 L 4.0283 7.9069 119.0731 57.4061 41.4077 179.2742 126 L 3.8710 7.9365 119.7953 58.5523 42.2817 178.8817 127 T 4.0390 8.0514 115.7229 66.8212 68.2003 176.9153 128 R 4.0609 8.4533 119.0664 58.3635 30.2415 178.2361 129 S 4.5010 7.9001 112.0707 58.7018 63.5541 175.0360 130 N 4.3820 7.5199 121.7423 56.6407 39.1646 176.0978 131 R 4.3766 7.7619 116.9478 56.0631 30.6543 175.8838 *133 H 4.2313 7.8977 115.7480 56.1281 30.8239 172.3730 134 D 4.5944 7.6417 125.7663 52.4083 40.2107 175.2255 135 F 4.5302 8.2456 122.6711 56.8112 39.3951 175.7281 136 E 4.0998 9.9145 128.6567 58.9998 29.9711 175.9326 137 D 4.6936 7.6475 115.9726 50.9222 42.2194 175.9746 138 S 4.1791 8.5367 114.2915 60.7214 62.6582 175.9606 139 E 3.9572 7.9967 122.9596 59.4714 29.2665 178.5695 140 Q 4.0703 8.3052 117.9092 58.6080 28.7615 178.8238 141 V 2.9677 7.3880 119.1986 65.5213 31.6068 178.1405 142 V 3.3476 7.5227 117.5254 66.1085 31.2879 177.1053 143 H 3.9271 8.2673 118.2663 59.8978 29.6925 176.9389 144 Q 4.0501 7.8888 119.4218 58.6865 28.5038 178.5923 145 L 3.9329 7.8018 120.2150 57.4843 41.5574 179.0567 146 E 3.9837 8.5974 118.9731 59.6801 29.4604 179.6210 147 R 3.9028 7.6763 117.9341 59.3576 30.0660 179.1018 148 L 4.0438 7.8067 118.4887 57.7797 41.4799 179.7629 149 I 4.0371 8.3085 121.0321 63.8729 36.9010 178.3727 150 A 4.0704 8.0434 120.4131 55.0031 18.2067 179.4482 151 R 4.1619 7.8325 115.9550 57.2337 30.2278 177.7247 152 G 4.0249 7.8875 105.9279 45.4811 0.0000 173.9161 153 L 4.5367 8.5618 120.1513 54.2517 43.4376 175.5230 154 A 5.0843 7.5155 118.7527 51.0429 23.3388 174.1370 155 T 4.5496 8.1424 110.2323 60.9678 70.9561 172.2982 156 L 4.0526 8.3957 129.2596 54.4905 42.9989 175.8723 157 V 4.1939 8.5689 127.9374 60.7281 32.5257 173.9308 158 P 4.2581 0.0000 0.0000 62.5909 31.7632 176.4841 159 R 4.2702 8.2107 118.8884 55.8000 30.9081 174.6178 160 Q 4.4767 8.2224 117.5968 54.3836 31.9160 173.0061 161 S 4.1076 8.3654 114.7917 58.4607 63.0492 172.5044 162 G 3.5813 8.1785 118.5680 45.1028 0.0000 173.6495 163 Q 4.5336 7.5554 118.8010 53.9317 32.3959 175.9718 164 R 4.6673 8.4629 122.5865 55.8320 30.7145 176.3359 165 E 4.6769 7.7816 115.6955 54.2323 33.5624 175.6666 166 D 4.4556 8.7161 122.7503 55.1274 42.1833 175.6663 167 R 4.9297 8.3436 119.6288 54.7551 34.0697 174.2738 168 Y 5.4377 9.2114 119.6680 55.3831 41.9550 174.0616 *170 H 4.9380 8.4890 114.6756 55.3962 29.8708 173.1297 171 L 4.8009 9.1163 119.4207 55.0732 41.4537 177.6238 172 I 4.2532 8.3294 120.5346 61.6301 39.3829 176.1028 173 G 4.1007 7.6624 109.4200 43.6613 0.0000 171.3337 174 D 4.5569 8.5528 120.0953 53.5632 41.3481 176.3407 175 P 4.3839 0.0000 0.0000 65.1969 31.7711 177.9983 176 E 4.1326 8.3617 118.5071 58.4815 29.6146 178.6785 177 D 4.3835 7.9497 118.6619 56.8716 40.9043 177.1478 178 L 4.3057 7.5630 116.7215 54.7737 41.9873 175.9537 179 Q 4.5479 7.4014 120.6874 54.1998 30.5249 174.9878 180 D 4.5163 8.6154 123.6132 54.6986 40.9646 176.1546 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 13 N 8.42 4.58 0.00 2.73 2.95 0.00 0.00 6.74 6.46 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 14 A 7.81 4.39 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 15 E 8.88 4.34 0.00 2.09 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 2.26 2.30 0.00 16 A 8.11 4.40 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 17 L 8.61 4.04 0.00 1.81 1.74 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.89 3.86 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 19 L 8.30 4.33 0.00 1.69 1.57 0.91 0.64 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 20 N 8.37 5.04 0.00 2.96 2.97 0.00 0.00 6.71 7.52 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 21 S 8.48 4.15 0.00 4.07 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 22 T 7.92 3.85 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 1.16 0.00 0.00 23 E 8.38 3.89 0.00 2.01 1.98 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 2.29 2.57 0.00 24 V 7.92 3.56 2.30 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 0.97 0.00 0.00 1.04 0.00 0.00 25 R 7.91 3.84 0.00 2.11 2.07 0.00 3.34 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 26 I 7.88 3.60 2.03 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.53 0.82 0.00 0.00 27 L 8.11 4.05 0.00 1.69 1.72 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.87 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.18 4.26 0.00 3.20 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 30 L 8.29 4.21 0.00 1.96 2.06 1.03 1.35 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 31 I 7.91 3.60 1.97 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.83 0.92 0.00 0.00 32 E 8.57 3.89 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 33 K 8.41 4.26 0.00 1.91 1.93 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.65 1.51 7.81 34 Q 7.68 3.33 0.00 0.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.07 1.80 0.00 35 A 7.56 4.15 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 36 T 7.94 4.51 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 1.26 0.00 0.00 37 N 8.55 5.42 0.00 3.14 2.99 0.00 0.00 6.64 8.10 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 38 P 0.00 4.25 0.00 2.26 2.38 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 39 E 8.25 4.18 0.00 2.12 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 2.41 2.41 0.00 40 T 8.00 4.48 4.57 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 1.26 0.00 0.00 41 Y 7.58 4.75 0.00 2.94 3.01 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 42 P 0.00 2.97 0.00 1.91 1.49 0.00 3.68 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 43 L 8.36 4.67 0.00 1.74 1.69 1.04 0.73 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 44 T 8.38 4.68 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 1.23 0.00 0.00 45 L 8.97 3.99 0.00 1.87 1.78 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.23 4.30 0.00 2.80 2.87 0.00 0.00 6.88 7.09 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 47 A 8.04 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 48 L 8.03 3.94 0.00 1.92 1.90 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.09 3.65 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 0.95 0.00 0.00 0.93 0.00 0.00 50 I 7.97 3.69 2.04 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 1.46 0.96 0.92 0.00 0.00 51 A 7.88 4.40 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 52 C 7.78 4.30 0.00 3.17 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 53 N 7.61 4.79 0.00 2.73 2.83 0.00 0.00 7.05 7.09 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 54 Q 6.91 4.16 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.99 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 55 K 8.73 4.13 0.00 1.75 1.87 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.37 7.81 56 T 7.60 4.54 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 1.22 0.00 0.00 57 S 8.81 4.09 0.00 4.05 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 58 R 7.51 4.67 0.00 1.56 1.80 0.00 3.27 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 59 D 9.12 4.65 0.00 2.62 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 60 P 0.00 4.78 0.00 2.11 2.04 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 61 V 8.13 3.62 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 0.82 0.00 0.00 0.93 0.00 0.00 *63 N 8.18 4.64 0.00 2.77 2.82 0.00 0.00 6.94 7.85 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 64 L 7.74 4.36 0.00 1.62 1.57 0.90 0.93 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 65 T 9.13 4.42 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 1.25 0.00 0.00 66 Q 8.65 4.02 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 67 G 8.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 7.74 3.96 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 69 V 7.60 3.56 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 0.98 0.00 0.00 0.95 0.00 0.00 70 G 8.57 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.13 4.00 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.59 2.35 0.00 72 S 8.02 4.19 0.00 3.87 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 73 L 7.90 3.56 0.00 1.35 0.22 -0.15 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.80 4.00 0.00 2.01 2.00 0.00 3.16 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.84 0.00 75 A 8.42 3.95 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 L 8.19 3.94 0.00 1.77 1.72 0.85 0.67 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 77 E 7.62 4.46 0.00 2.48 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 78 G 7.98 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 0.00 0.00 0.00 79 R 7.50 4.36 0.00 2.02 1.99 0.00 3.27 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 80 G 7.99 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 81 L 8.09 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.01 4.55 0.00 2.60 2.31 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 92 R 8.50 4.86 0.00 1.58 1.81 0.00 2.99 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 93 W 9.80 5.44 0.00 3.19 3.03 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 94 E 9.13 5.12 0.00 2.05 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 2.29 2.24 0.00 95 H 9.00 5.14 0.00 3.24 3.49 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.75 4.78 0.00 1.94 1.81 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.39 1.40 7.81 97 V 8.24 3.77 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 1.08 0.00 0.00 0.92 0.00 0.00 98 D 8.33 4.33 0.00 2.89 2.95 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 1.57 1.60 0.00 *133 H 7.90 4.23 0.00 3.00 3.01 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 D 7.64 4.59 0.00 2.52 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.25 4.53 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 9.91 4.10 0.00 2.09 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 2.33 2.24 0.00 137 D 7.65 4.69 0.00 2.91 2.74 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 0.00 0.00 0.00 0.00 138 S 8.54 4.18 0.00 4.02 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 0.00 139 E 8.00 3.96 0.00 2.12 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 2.31 2.50 0.00 140 Q 8.31 4.07 0.00 2.56 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.60 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 141 V 7.39 2.97 1.87 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 0.58 0.00 0.00 -0.11 0.00 0.00 142 V 7.52 3.35 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 0.84 0.00 0.00 0.94 0.00 0.00 143 H 8.27 3.93 0.00 3.47 3.54 0.00 5.83 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 0.00 144 Q 7.89 4.05 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.60 0.00 0.00 0.00 0.00 0.00 2.72 2.73 0.00 145 L 7.80 3.93 0.00 1.49 1.37 -0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.60 3.98 0.00 2.04 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 2.49 2.51 0.00 147 R 7.68 3.90 0.00 1.94 1.98 0.00 3.24 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 148 L 7.81 4.04 0.00 1.93 1.73 0.90 0.78 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 0.00 149 I 8.31 4.04 2.10 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.24 0.94 0.00 0.00 150 A 8.04 4.07 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 0.00 151 R 7.83 4.16 0.00 2.05 2.01 0.00 3.31 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 152 G 7.89 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 0.00 153 L 8.56 4.54 0.00 1.80 1.70 0.93 0.64 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 0.00 154 A 7.52 5.08 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 0.00 155 T 8.14 4.55 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 1.19 0.00 0.00 156 L 8.40 4.05 0.00 1.58 1.40 0.79 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 157 V 8.57 4.19 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 0.77 0.00 0.00 0.89 0.00 0.00 158 P 0.00 4.26 0.00 2.18 2.00 0.00 3.76 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 1.95 1.91 0.00 159 R 8.21 4.27 0.00 1.91 1.93 0.00 3.03 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 160 Q 8.22 4.48 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 161 S 8.37 4.11 0.00 4.00 3.90 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 0.00 0.00 0.00 0.00 162 G 8.18 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 0.00 163 Q 7.56 4.53 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.39 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 164 R 8.46 4.67 0.00 1.78 1.91 0.00 3.14 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 165 E 7.78 4.68 0.00 1.89 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 0.00 2.21 2.31 0.00 166 D 8.72 4.46 0.00 2.57 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 0.00 0.00 0.00 167 R 8.34 4.93 0.00 1.66 1.75 0.00 3.05 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 168 Y 9.21 5.44 0.00 2.77 2.85 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 0.00 0.00 0.00 0.00 *170 H 8.49 4.94 0.00 3.16 3.38 0.00 5.68 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 0.00 171 L 9.12 4.80 0.00 1.59 1.70 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 172 I 8.33 4.25 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.70 0.90 0.00 0.00 173 G 7.66 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 0.00 0.00 0.00 174 D 8.55 4.56 0.00 2.69 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 0.00 175 P 0.00 4.38 0.00 2.25 2.29 0.00 3.75 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 176 E 8.36 4.13 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 2.32 2.27 0.00 177 D 7.95 4.38 0.00 2.78 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 0.00 178 L 7.56 4.31 0.00 1.69 1.67 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 179 Q 7.40 4.55 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 7.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 180 D 8.62 4.52 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.