NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3070 8.1849 120.6255 53.9901 43.1038 176.4891 2 L 3.9337 8.4044 121.7252 53.5720 42.3087 174.8721 3 T 4.7265 9.4318 113.0518 59.2686 72.8971 174.5878 4 I 3.6468 8.4162 120.9012 64.8848 36.8485 178.3275 5 D 4.3896 8.0410 119.2125 57.6289 40.7637 178.7461 6 T 4.0642 7.9604 109.6183 64.4598 68.8587 177.0599 7 T 4.2623 8.0492 119.3266 66.8790 68.5730 176.7235 8 I 3.7594 7.8302 121.7965 64.1905 37.0031 178.0620 9 E 3.9895 8.5195 120.3475 59.0160 29.4440 178.4216 10 W 4.5339 8.6235 128.6389 60.9637 30.7534 177.9636 11 L 3.8409 8.2311 118.8066 57.4095 40.9805 179.7108 12 G 3.6226 8.2357 105.7333 47.7747 0.0000 175.7141 13 K 3.9771 8.3752 121.7664 59.0477 32.1232 178.9729 14 F 4.3860 8.9739 121.1515 61.5177 39.1871 176.3502 15 N 3.8766 8.4375 116.8723 56.7541 38.6102 176.3490 16 E 3.8447 8.1510 119.5548 59.5240 29.6511 179.3923 17 K 3.6110 7.8862 118.1947 59.5108 31.9232 179.4764 18 I 3.4840 7.3824 119.7242 64.3548 36.7683 178.4925 19 Q 3.9092 7.8057 117.7006 59.1368 28.6445 178.6647 20 E 4.1145 8.0801 118.1155 58.2926 29.6379 177.6089 21 N 5.0156 7.4468 114.4278 52.5955 39.5367 176.3612 22 K 3.9208 7.9891 121.8523 60.1585 32.2540 178.9205 23 A 3.9686 7.9551 121.3771 55.0757 18.3519 178.7664 24 Y 4.1613 8.0910 117.5865 60.8802 38.7696 178.1640 25 L 3.8953 8.1282 119.9844 57.9246 41.6838 179.7139 26 S 4.1531 7.9964 114.6863 61.2438 62.8207 176.0380 27 E 3.8919 8.4520 122.4721 59.4514 29.1901 178.9312 28 L 3.9116 7.6502 117.7972 57.5726 41.7817 178.1891 29 D 4.6880 7.7582 115.8138 55.2238 40.7648 177.9355 30 G 3.6945 8.0328 106.3790 47.8790 0.0000 174.3054 31 P 4.3799 0.0000 0.0000 63.3394 31.7878 177.3269 32 I 4.5897 7.2323 109.9369 59.8138 38.5677 175.0038 33 G 4.2597 7.8178 108.4661 47.2486 0.0000 174.4307 34 D 4.6830 8.8641 125.9078 52.5365 39.8582 176.3490 35 G 4.1287 8.2518 106.7592 47.0668 0.0000 174.3434 36 D 4.7890 8.8221 116.1305 52.2117 41.3222 176.7737 37 H 4.1257 8.8705 120.0013 59.5551 29.9777 176.1859 38 G 4.2721 8.1871 106.3510 48.0813 0.0000 174.6447 39 A 4.0659 8.0054 123.1237 54.9337 18.7267 179.1924 40 N 4.0990 8.5297 109.4990 54.8752 38.4059 176.4601 *42 A 4.0847 7.9690 122.4815 52.2553 20.8353 178.7923 43 R 3.9457 8.0748 115.9713 59.6818 30.4690 179.5056 44 G 3.6358 8.2509 103.3101 46.6953 0.0000 174.9628 *46 S 4.3178 8.0914 115.4576 58.0441 64.9779 174.9351 47 E 4.0690 7.9726 120.2817 59.5027 29.4606 179.9436 48 T 4.0541 7.7520 112.2169 64.2140 67.9333 176.2793 *50 K 4.1676 8.2444 122.7471 56.5118 33.7407 178.1970 51 A 4.0410 8.0685 121.4672 55.0957 18.4013 179.4334 52 L 4.2587 7.8287 114.6299 57.1532 42.0689 178.3673 53 E 4.1355 7.9249 118.2660 58.8394 29.4855 178.0040 54 V 4.1449 7.2273 109.2868 61.0619 31.8285 175.6387 55 S 4.5840 7.5607 115.1918 56.6071 65.9270 173.5847 56 N 4.7407 7.6366 120.0859 51.1294 38.5686 173.3924 57 F 4.5026 8.0277 120.2210 57.1325 39.8798 175.8126 58 G 3.9376 8.9922 112.7510 46.1261 0.0000 173.2735 59 N 4.5508 7.4016 116.5161 51.1686 40.8315 175.3648 60 V 3.3826 7.9443 119.5141 65.7711 31.5137 177.4196 61 S 4.1496 8.0428 112.5730 61.7352 62.1663 176.0247 62 E 4.0940 8.8454 121.3206 59.4112 29.1168 179.4444 63 I 2.6280 6.9840 118.4759 64.0403 37.0961 178.4608 64 F 4.6995 8.0935 118.6518 60.6093 38.5293 177.6608 65 K 4.0797 8.1952 118.3143 59.3264 32.0968 178.4464 66 K 4.1391 7.8575 118.7692 59.4489 32.3781 178.5161 67 V 3.5860 7.9623 118.3790 65.9551 31.1587 177.6919 68 A 4.0949 8.0246 117.0307 54.1331 18.8659 177.9940 *70 T 4.3890 7.7415 116.5776 64.5095 70.4622 177.9715 71 L 4.3024 7.8599 120.6389 54.9340 40.7974 179.4430 *73 S 4.4605 8.1438 116.6389 57.9137 64.5851 175.0136 74 K 4.3733 8.3044 116.9614 55.9507 33.4089 176.1037 75 V 4.0829 8.1957 120.9814 61.7165 31.8579 176.0342 76 G 4.1929 8.7699 116.0550 45.1987 0.0000 173.2605 77 G 4.2222 7.6867 110.0879 44.1724 0.0000 174.6168 78 A 3.8248 8.7128 121.2414 55.0827 18.9579 180.2150 79 S 4.3594 8.2585 111.3086 61.5980 63.0613 176.1984 80 G 3.8295 7.7251 110.4042 46.7089 0.0000 173.4125 81 P 4.2953 0.0000 0.0000 65.0123 31.3599 178.8290 82 L 3.8144 7.5930 116.4452 58.0776 41.5719 179.0617 83 Y 4.2547 8.2957 117.1341 60.9285 37.8089 178.8745 84 G 3.8017 8.6858 107.0642 48.2653 0.0000 175.8790 85 S 4.1381 8.4781 118.4580 60.7743 62.5552 176.5156 86 A 3.7153 7.8672 122.8311 55.4635 18.1837 179.5790 87 F 3.9601 8.3593 114.8851 60.1816 39.2380 177.5778 88 L 4.2501 8.2925 120.1083 57.9296 41.8534 179.9651 89 A 4.2759 7.9802 118.6502 52.5789 16.7341 179.1138 *91 S 4.6540 8.0428 116.9881 60.0696 64.3678 176.1898 92 K 4.2473 8.0000 119.1130 59.7444 31.6859 179.5443 93 T 3.9085 8.3022 115.9656 66.6326 68.2485 176.4035 94 A 4.7787 7.4031 120.4370 54.2210 18.3704 179.3294 95 I 3.8809 7.5291 117.8913 63.8699 37.2300 177.4187 96 E 4.3893 8.2665 118.1089 57.2011 30.8593 176.4501 97 T 4.6997 7.1306 110.9447 60.8025 70.4848 173.2760 98 L 4.6720 8.2905 125.7655 54.3386 42.6030 176.5681 99 D 4.3714 7.9924 119.6051 54.7406 42.0225 176.9190 100 T 3.8670 8.5212 124.1094 66.8028 68.5335 176.7734 101 S 3.9620 7.9669 115.6653 61.4629 63.0406 176.2539 102 E 3.9439 8.5128 122.2066 58.9418 29.0869 179.3311 103 L 4.0894 8.0512 119.2038 57.9915 41.7788 179.6177 104 I 3.9694 8.0581 119.9650 64.3465 36.9233 177.6315 105 Y 3.9820 8.4021 120.5132 60.9131 38.6163 178.1509 106 A 4.1922 8.4167 121.6069 55.1297 18.4423 179.8627 107 G 3.3747 8.4068 104.1647 47.8473 0.0000 175.5313 108 L 3.6921 8.4977 123.8510 57.5906 42.0691 178.6403 109 E 3.6842 8.0896 118.8541 59.2472 29.5794 178.6583 110 A 3.9144 7.7656 120.7095 55.0993 18.3310 179.6632 111 I 3.3648 7.4967 118.2650 64.5941 37.1335 178.7026 112 Q 3.8992 7.9975 119.1207 58.7230 28.2626 179.0552 113 K 3.9573 7.8395 119.0771 59.6593 32.6652 179.0132 114 R 4.1155 7.6820 119.2780 58.4611 30.2720 177.7666 115 G 3.8533 8.1518 103.2833 43.5093 0.0000 174.6975 116 K 3.9866 7.8513 118.4889 56.8713 30.2811 175.5686 117 A 4.5396 7.2218 121.7756 51.5849 19.5788 177.7200 118 Q 4.6213 8.8262 119.9845 53.4241 31.3619 175.7135 119 V 3.7702 8.0710 119.3883 65.0112 31.7724 176.1754 120 G 4.0342 9.5153 115.2024 45.5959 0.0000 173.5461 121 E 4.3607 8.0614 117.4005 55.2138 30.2227 175.6007 122 K 4.0566 8.1734 117.8896 57.7841 31.6139 174.9752 123 T 4.6718 8.2663 111.3342 62.2403 68.6449 176.0249 *125 V 4.0291 9.0369 119.5746 62.7908 33.5953 175.7689 126 D 4.4463 8.1150 119.5238 57.4239 40.5657 178.4862 127 I 4.1018 7.8580 117.9253 63.0642 38.3291 177.6180 128 W 4.3423 8.5537 119.7268 59.6419 28.9153 178.2759 129 S 4.1106 8.5660 113.0326 61.3168 61.9238 176.0577 130 A 4.0177 7.9081 123.3272 55.0946 18.0578 179.3610 131 F 4.1653 8.7295 119.5252 61.1793 39.3483 176.8788 132 L 3.5730 7.6613 119.9277 58.3171 41.8514 178.5701 133 N 4.4089 8.1053 116.7055 56.6187 38.7428 176.4886 134 D 4.2824 8.0965 120.3364 57.3235 40.9458 178.7066 135 L 3.7218 7.5930 119.4554 57.8934 41.3439 179.6293 136 Q 3.9828 7.8188 116.8848 58.7178 28.6674 178.0529 137 T 4.3016 7.7607 108.0469 60.3681 69.6415 174.3005 138 D 4.3689 7.7637 119.8523 56.1771 38.9908 174.0396 139 S 4.6468 8.5707 107.7268 57.7084 64.0502 173.9022 140 A 4.2297 8.0263 123.9631 52.9328 18.6774 177.8372 141 S 4.6663 8.2652 115.2575 55.7230 66.0239 175.0293 142 K 4.0194 8.9116 122.6645 60.1707 31.8735 178.6082 143 D 4.4096 8.1842 118.3605 57.6378 40.2679 178.3718 144 N 4.5390 8.4150 116.1657 55.3387 38.5265 177.3050 145 L 4.0022 7.9361 120.9897 57.3210 41.9808 178.6241 146 E 3.9569 8.1316 118.7976 58.8002 29.5045 178.1785 147 K 3.8043 8.0971 119.9969 60.0252 31.9616 178.8291 148 V 3.6116 7.1847 116.4216 65.6324 31.7645 177.9329 149 V 3.7239 7.7795 118.1371 66.0684 31.3544 178.0693 150 K 3.9466 8.4082 118.2435 59.5798 32.0517 179.1649 151 A 4.1394 8.3154 120.9460 54.5838 18.2102 179.6844 152 S 4.2240 8.0418 112.7895 61.2184 62.9136 176.3890 153 A 4.5884 7.4026 126.0822 54.1060 17.8916 178.8709 154 G 3.8245 7.4542 99.9172 44.2364 0.0000 174.1181 155 L 4.2166 7.1170 121.3339 54.0132 42.3917 176.3971 156 L 4.0734 8.3469 124.7419 54.2283 42.7642 176.1587 157 A 4.3473 8.6942 130.3132 52.5829 18.4607 177.4077 158 T 4.6609 8.2238 112.2809 61.1657 69.4712 174.0516 159 K 4.4633 7.3502 119.8083 55.9567 36.3466 177.3911 160 G 3.9364 8.5524 110.1661 45.1053 0.0000 174.0939 161 R 4.1114 8.6154 115.9282 59.5006 29.9490 178.8856 162 A 4.5252 8.3653 121.5065 54.5001 18.3749 179.4833 163 S 4.6843 8.0467 113.8983 60.8357 62.9045 175.9639 164 Y 4.1075 7.8937 119.0201 59.8335 37.8476 176.8587 165 L 4.4564 8.0706 118.8486 53.3434 42.5978 177.8576 166 G 3.7594 8.4204 109.1815 46.6675 0.0000 177.6118 167 E 4.1008 8.7169 123.7587 58.5883 29.3728 178.2945 168 R 4.2072 8.0699 116.9174 57.5051 30.0148 177.2754 169 S 4.4801 7.8009 112.0980 58.7724 63.7704 174.4836 170 I 4.0849 7.5390 123.4013 62.4030 37.4589 176.0479 171 G 3.9632 9.9336 113.6509 45.3678 0.0000 172.7738 172 H 4.8110 7.8053 116.3822 53.4170 31.8394 172.9111 173 I 4.0479 8.3860 125.9239 60.8883 37.8047 175.8907 174 D 4.4180 8.7845 125.4192 53.5062 41.9697 175.3680 175 P 4.3265 0.0000 0.0000 65.9824 31.3146 178.7989 176 G 3.5466 7.9801 105.0069 47.8363 0.0000 175.7300 177 T 3.9617 8.2349 118.1150 66.2984 68.5215 176.6785 178 Q 3.7376 8.0176 121.6849 59.1704 29.2843 178.4549 179 S 4.3229 8.3033 115.2931 61.5804 63.0224 176.6218 180 S 3.9369 8.2910 118.7164 60.9127 62.4482 176.2517 181 A 3.8528 7.6575 123.5389 55.4136 18.0967 179.2500 182 Y 4.4094 7.4784 114.6498 61.1428 38.0732 178.4516 183 L 3.4012 7.8099 120.8087 58.3401 42.0038 179.2272 184 F 4.2303 7.6411 117.6150 60.0867 38.7415 177.7574 185 E 3.9976 8.4869 117.9519 59.5549 29.3654 179.3331 186 T 4.2120 8.2402 110.8779 64.3167 68.8055 176.4538 187 L 3.1036 7.8070 122.7540 57.7864 40.7762 179.0115 188 L 3.9737 8.0225 118.8556 57.6529 41.2165 179.3640 189 E 4.2132 7.9969 118.0117 58.9548 29.5192 178.8426 190 V 4.2605 7.1941 108.5564 61.8177 32.8934 178.3501 191 V 3.6261 7.8203 118.6567 63.1334 31.6473 175.9779 192 A 4.0211 7.2826 125.9967 52.2655 19.1409 176.7353 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 L 8.18 4.31 0.00 1.63 1.73 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.40 3.93 0.00 1.78 1.68 1.19 0.58 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 3 T 9.43 4.73 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 4 I 8.42 3.65 1.90 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 1.64 0.51 0.97 0.00 0.00 5 D 8.04 4.39 0.00 2.72 2.75 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 6 T 7.96 4.06 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 1.25 0.00 0.00 7 T 8.05 4.26 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 1.30 0.00 0.00 8 I 7.83 3.76 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.91 0.96 0.00 0.00 9 E 8.52 3.99 0.00 2.20 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 2.41 2.39 0.00 10 W 8.62 4.53 0.00 3.53 3.55 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 11 L 8.23 3.84 0.00 1.68 1.56 0.81 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.24 3.62 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 0.00 0.00 0.00 13 K 8.38 3.98 0.00 2.25 2.02 0.00 1.80 0.00 0.00 1.87 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.71 7.81 14 F 8.97 4.39 0.00 2.94 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 15 N 8.44 3.88 0.00 2.76 2.90 0.00 0.00 7.30 7.40 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 16 E 8.15 3.84 0.00 2.22 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 2.29 2.42 0.00 17 K 7.89 3.61 0.00 1.81 1.35 0.00 1.34 0.00 0.00 1.24 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.65 7.81 18 I 7.38 3.48 1.54 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.10 0.70 0.00 0.00 19 Q 7.81 3.91 0.00 1.90 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.01 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 20 E 8.08 4.11 0.00 1.79 1.92 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 2.27 2.52 0.00 21 N 7.45 5.02 0.00 2.69 2.96 0.00 0.00 6.62 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 22 K 7.99 3.92 0.00 1.93 2.16 0.00 1.28 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.45 7.81 23 A 7.96 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 24 Y 8.09 4.16 0.00 3.08 3.22 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 25 L 8.13 3.90 0.00 1.96 1.75 1.05 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.00 4.15 0.00 3.99 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 27 E 8.45 3.89 0.00 2.08 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 2.28 2.38 0.00 28 L 7.65 3.91 0.00 1.62 1.57 0.61 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.76 4.69 0.00 2.88 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 30 G 8.03 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.38 0.00 1.68 1.94 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 32 I 7.23 4.59 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.79 0.85 0.00 0.00 33 G 7.82 4.26 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 0.00 34 D 8.86 4.68 0.00 2.75 2.71 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 35 G 8.25 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.82 4.79 0.00 2.75 2.84 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 37 H 8.87 4.13 0.00 3.10 3.59 0.00 5.93 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.19 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.01 4.07 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 40 N 8.53 4.10 0.00 2.92 2.88 0.00 0.00 6.85 7.51 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 *42 A 7.97 4.08 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.07 3.95 0.00 2.12 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1.31 1.60 7.81 123 T 8.27 4.67 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 1.19 0.00 0.00 *125 V 9.04 4.03 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 0.99 0.00 0.00 0.83 0.00 0.00 126 D 8.12 4.45 0.00 2.87 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 0.00 127 I 7.86 4.10 1.97 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 1.88 1.51 1.09 0.00 0.00 128 W 8.55 4.34 0.00 3.61 3.37 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 0.00 129 S 8.57 4.11 0.00 4.04 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.91 4.02 1.45 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 0.00 0.00 131 F 8.73 4.17 0.00 2.70 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 0.00 132 L 7.66 3.57 0.00 1.88 1.87 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.11 4.41 0.00 2.88 2.78 0.00 0.00 7.31 8.28 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 0.00 134 D 8.10 4.28 0.00 2.85 2.75 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 0.00 135 L 7.59 3.72 0.00 1.45 1.42 0.11 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 7.82 3.98 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.22 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 137 T 7.76 4.30 4.21 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 1.21 0.00 0.00 138 D 7.76 4.37 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.57 4.65 0.00 3.86 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 0.00 140 A 8.03 4.23 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 0.00 141 S 8.27 4.67 0.00 3.97 3.82 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 0.00 142 K 8.91 4.02 0.00 1.87 1.88 0.00 1.77 0.00 0.00 1.85 0.00 0.00 3.37 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.59 7.81 143 D 8.18 4.41 0.00 2.74 2.73 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 0.00 144 N 8.41 4.54 0.00 2.95 3.05 0.00 0.00 6.98 6.02 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 0.00 145 L 7.94 4.00 0.00 1.89 1.70 0.83 0.57 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 0.00 146 E 8.13 3.96 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 147 K 8.10 3.80 0.00 2.01 1.96 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 148 V 7.18 3.61 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 0.91 0.00 0.00 1.06 0.00 0.00 149 V 7.78 3.72 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 1.00 0.00 0.00 1.03 0.00 0.00 150 K 8.41 3.95 0.00 1.95 1.87 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.71 1.63 7.81 151 A 8.32 4.14 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 0.00 152 S 8.04 4.22 0.00 4.11 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 7.40 4.59 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 G 7.45 3.82 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 0.00 0.00 0.00 155 L 7.12 4.22 0.00 1.79 1.61 0.98 1.32 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 0.00 156 L 8.35 4.07 0.00 1.58 1.57 1.00 1.03 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 0.00 157 A 8.69 4.35 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 0.00 158 T 8.22 4.66 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 1.18 0.00 0.00 159 K 7.35 4.46 0.00 1.67 1.66 0.00 1.98 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.45 1.32 7.81 160 G 8.55 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 0.00 161 R 8.62 4.11 0.00 1.89 2.01 0.00 3.12 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 162 A 8.37 4.53 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 S 8.05 4.68 0.00 3.98 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 0.00 164 Y 7.89 4.11 0.00 3.07 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.07 4.46 0.00 1.86 1.70 1.01 0.68 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 0.00 166 G 8.42 3.76 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 0.00 0.00 0.00 167 E 8.72 4.10 0.00 2.02 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 2.40 2.28 0.00 168 R 8.07 4.21 0.00 2.02 1.99 0.00 3.33 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 169 S 7.80 4.48 0.00 4.02 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 I 7.54 4.08 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 1.37 0.56 0.92 0.00 0.00 171 G 9.93 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 H 7.81 4.81 0.00 3.30 3.16 0.00 5.63 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 I 8.39 4.05 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.49 0.99 0.00 0.00 174 D 8.78 4.42 0.00 2.80 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 0.00 175 P 0.00 4.33 0.00 2.24 2.38 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 176 G 7.98 3.55 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 0.00 0.00 0.00 177 T 8.23 3.96 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 1.24 0.00 0.00 178 Q 8.02 3.74 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.43 1.87 0.00 179 S 8.30 4.32 0.00 4.36 4.33 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 0.00 180 S 8.29 3.94 0.00 4.07 3.38 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 0.00 181 A 7.66 3.85 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 Y 7.48 4.41 0.00 3.53 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 0.00 183 L 7.81 3.40 0.00 1.15 1.14 -0.09 0.81 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 0.00 184 F 7.64 4.23 0.00 2.49 1.45 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 0.00 185 E 8.49 4.00 0.00 2.24 2.38 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 2.62 2.41 0.00 186 T 8.24 4.21 4.59 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 1.43 0.00 0.00 187 L 7.81 3.10 0.00 0.43 1.61 -0.12 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 188 L 8.02 3.97 0.00 1.88 1.72 1.00 0.96 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 0.00 189 E 8.00 4.21 0.00 2.26 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 2.38 2.53 0.00 190 V 7.19 4.26 2.15 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 0.99 0.00 0.00 1.14 0.00 0.00 191 V 7.82 3.63 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 0.68 0.00 0.00 0.85 0.00 0.00 192 A 7.28 4.02 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 * Residues marked with a * may have inaccurate shift predictions.