NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3481 8.4293 121.4679 56.0507 30.9533 175.5847 3 S 4.3511 8.6049 119.5239 59.5561 64.6430 168.6143 4 V 4.7924 8.0334 119.6825 60.7790 34.4644 175.4008 5 N 4.9969 9.2399 127.2597 52.2788 40.8287 173.1684 6 T 5.0690 8.5530 122.5717 61.9500 71.4603 173.9945 7 S 4.7513 8.6655 120.4850 56.9545 67.6604 173.0805 8 F 4.7951 9.0890 123.0647 56.4102 38.8757 175.9416 9 L 4.2365 8.8505 125.7640 57.0377 41.9071 176.8021 10 S 4.7110 7.6719 111.1485 56.3761 66.0035 172.7298 11 P 4.4183 0.0000 0.0000 65.1266 31.1315 178.1698 12 S 4.9071 8.1708 110.4740 57.5404 63.5809 172.6311 13 L 5.0948 7.9864 123.8730 53.6228 44.9093 175.2458 14 V 4.7052 8.9326 126.5349 61.1583 35.0624 173.9882 15 T 4.4951 8.5054 117.9360 60.2251 71.1674 173.7047 16 I 4.5689 7.8778 125.3467 59.5179 40.6887 174.2578 17 R 4.3806 8.4640 128.8851 54.4947 32.0827 174.4854 18 D 4.9678 8.6929 128.0776 52.8336 41.7416 177.0355 19 F 4.2330 9.2382 126.5589 60.7705 39.3312 178.0395 20 D 4.4186 8.4912 118.5994 57.3297 40.6101 177.1570 21 N 4.5878 8.7147 113.2993 52.3461 39.3659 174.8674 22 G 3.9873 7.8170 106.2637 47.0915 0.0000 173.0364 23 Q 5.0482 8.1093 115.8192 52.7762 33.8738 175.9093 24 F 5.0755 8.7726 121.7049 56.6459 42.4525 173.5303 25 A 5.0889 8.3394 126.6416 50.2527 23.0990 174.6064 26 V 4.3792 8.8136 120.8471 61.4553 33.6403 174.3720 27 L 5.0199 8.9882 130.4476 53.6303 43.9700 175.0974 28 R 4.9970 8.9368 125.0409 54.4448 33.8028 175.6784 29 I 4.4440 8.5518 126.9317 60.1506 35.1654 176.7773 30 G 3.5012 8.8308 114.4083 48.5994 0.0000 173.1872 31 R 3.9538 7.3941 117.4451 58.8711 30.1414 177.5533 32 T 3.6828 7.5891 105.6221 61.3179 69.3343 175.3401 33 G 3.9501 7.8287 108.8248 46.2354 0.0000 173.7686 34 F 4.8414 7.8444 117.5842 56.1798 39.5561 173.7801 35 P 4.7173 0.0000 0.0000 62.4157 31.7774 176.3012 36 A 4.4915 9.0614 127.2584 52.5707 19.1457 176.6253 37 D 4.9462 9.2208 122.1641 51.2807 42.5434 177.1980 38 K 4.0855 8.8404 118.1371 59.5714 31.8941 178.7570 39 G 3.6176 8.1317 105.5219 47.9544 0.0000 175.0068 40 D 4.6368 8.9981 123.6156 56.5582 40.8154 179.3345 41 I 3.6912 7.8553 120.0518 64.3166 37.0302 177.9643 42 D 4.3244 8.4760 119.3460 57.0744 41.0061 178.0004 43 L 3.6531 8.1984 121.2841 58.2271 41.8812 178.4303 44 C 3.9944 7.8602 117.0958 62.6024 31.5420 175.1579 45 L 4.0923 7.9828 119.5578 57.9621 41.4142 178.9937 46 D 4.5612 8.3624 118.9585 56.9952 40.8742 179.4337 47 K 4.3218 8.0926 119.4921 56.2381 32.1133 179.1654 *49 K 4.1934 8.1840 122.0413 56.4250 34.2215 177.6540 50 G 3.5883 8.1887 105.6023 47.7362 0.0000 175.8525 51 V 3.5384 7.8733 120.8773 65.7458 31.5588 178.4270 52 R 3.9321 7.9032 115.3333 59.2267 29.4519 178.3893 53 D 4.2793 8.4710 119.8970 57.0813 40.6728 178.3923 54 A 3.9577 8.3408 121.7660 55.1236 18.3550 179.4183 55 Q 3.9157 8.3716 118.3539 59.4981 28.9479 178.3423 56 Q 3.9580 8.0218 119.3002 59.3453 29.0851 178.2305 57 S 4.2768 7.7766 115.1570 61.0664 62.9133 176.0043 58 I 4.1545 7.5756 121.9254 60.2742 37.5200 176.2246 59 G 4.4928 6.7188 113.7797 44.7617 0.0000 171.6330 60 D 4.2046 7.9716 122.4836 53.8253 41.0510 175.9549 61 D 3.3700 8.0994 125.8473 53.2847 39.7739 177.0660 62 T 4.1639 7.4913 111.5078 63.8583 69.7610 175.5993 63 E 3.9063 7.3746 118.8072 56.3181 30.0219 176.5147 64 F 4.3603 8.7731 125.6436 59.5671 39.9786 175.3685 65 G 3.4984 7.9409 115.3199 44.5327 0.0000 173.0561 66 F 4.0423 7.3745 120.8315 59.1270 39.4704 175.1457 67 K 3.9098 8.0043 125.4131 55.7016 32.4058 176.9579 68 G 3.2843 5.3800 106.6246 43.3411 0.0000 171.1033 69 P 4.6493 0.0000 0.0000 62.8252 32.7653 175.3051 70 H 5.3093 9.1566 118.1261 54.6813 30.8386 174.2703 71 I 4.9715 9.3750 124.1045 59.6920 39.0811 175.3223 72 R 4.7242 8.8687 126.1606 54.1505 33.5333 175.1228 73 I 4.2071 8.5139 123.6329 61.3468 38.7108 174.7527 74 R 4.5047 9.2130 125.5371 57.5321 32.9394 175.3029 75 C 4.9670 7.5325 117.0640 57.7996 35.4285 172.5582 76 V 4.4820 8.9079 125.5719 61.2649 33.5840 173.6994 77 D 5.2252 8.7314 128.6644 52.9385 41.6991 174.7626 78 I 4.4260 9.0312 128.1939 60.1634 39.2853 174.5556 79 D 4.8897 8.9995 127.9058 52.3607 42.3477 175.8047 80 D 5.4313 8.2811 126.8513 52.9867 39.7204 178.1833 81 K 3.9404 8.1962 121.7646 59.6485 32.6591 177.1555 82 H 4.7271 7.9860 115.2160 57.2487 29.9410 175.3752 83 T 4.5707 7.5819 105.9733 59.6338 71.5034 172.5800 84 Y 4.7000 8.3685 122.5583 56.9653 39.4405 173.6351 85 N 5.3497 9.0400 123.8169 51.6883 43.1797 173.9323 86 A 4.6724 8.0825 121.8095 49.8827 23.1238 174.7114 *88 V 4.0598 8.3308 113.6108 63.4814 33.2958 175.4226 89 Y 5.0131 8.8001 126.8095 57.1443 39.0735 175.2930 90 V 4.9400 8.8288 117.4977 59.6247 35.6193 174.7301 91 D 5.1044 9.0219 122.9976 52.5903 43.5972 175.0680 92 L 4.9638 9.2380 125.5174 53.5928 44.1754 174.9141 93 I 4.7824 8.9754 128.2305 59.8988 39.4362 175.4781 94 V 4.5754 8.3390 120.5422 59.0231 35.1174 175.6377 95 G 3.8749 8.2820 109.6107 46.0776 0.0000 174.9186 96 T 4.4929 7.7981 113.8441 63.5936 68.6141 174.7957 97 G 3.9173 7.8758 108.8858 45.2509 0.0000 172.7835 98 A 4.5701 7.5557 123.0254 50.6334 20.1111 179.2241 99 S 4.4358 8.7228 117.5849 57.4102 65.5033 175.2342 100 E 3.8625 8.7033 123.7152 59.8235 29.2240 179.8807 101 V 3.7952 7.7043 118.3549 64.9178 31.7116 178.0076 102 E 3.9372 7.9004 118.1364 58.8155 29.0895 179.6986 103 R 3.9030 8.0234 118.3604 59.3260 30.4219 178.7029 104 E 3.9532 8.1136 118.3367 59.6962 29.3748 179.7425 105 T 3.8607 8.2946 115.8718 66.5808 68.4851 176.6868 106 A 4.0030 8.0381 122.6836 55.1574 18.3859 179.5195 107 E 3.9239 8.4805 117.3879 59.6516 29.5550 179.5331 108 E 4.0184 8.1168 118.1948 59.0660 29.4874 179.0484 109 L 3.9130 7.9521 120.1963 58.1111 42.1251 178.7768 110 A 3.9654 8.1728 120.7993 55.2864 18.2392 179.7514 111 K 4.0323 8.1561 116.9097 59.4347 32.2004 179.1225 112 E 3.9253 8.2665 119.5341 59.4322 29.5761 179.0318 113 K 3.9434 8.2164 118.5614 59.5449 31.9945 179.4058 114 L 3.7912 8.0932 119.4796 57.4977 41.4037 179.5933 115 R 3.9347 8.1931 118.1879 59.1260 29.9207 179.0024 116 A 3.8938 7.8522 119.6693 55.2956 18.2859 179.6785 117 A 3.9136 8.0585 119.3232 55.0542 18.5325 178.5279 118 L 4.1575 8.0466 113.3048 54.5047 42.3690 176.5099 119 Q 3.3554 7.7114 117.8324 56.7707 26.5474 174.1473 120 V 3.9363 7.7374 116.4925 64.3176 32.4891 175.4492 121 D 4.5692 9.2200 125.8440 54.5759 39.2454 173.3167 122 I 4.6090 7.2241 111.7266 58.4761 40.5940 174.3027 123 A 4.7358 8.4349 124.2650 51.7706 19.5796 177.2466 124 D 5.3175 8.4109 122.8929 51.5259 41.5551 176.8106 125 E 4.1457 8.8197 117.1094 58.8530 28.3201 176.8515 126 H 4.7933 9.2841 116.4018 54.8398 29.0627 174.8667 127 S 3.9552 8.0864 114.0702 59.7354 61.1150 171.3521 128 C 5.0810 7.8782 118.4308 57.8230 33.9438 172.2421 129 V 5.3121 8.3729 125.5517 61.1396 33.0336 174.4616 130 T 5.1492 8.4711 123.8776 62.0208 71.3236 173.2594 131 Q 5.1455 8.8916 123.4704 54.1216 32.8732 174.2411 132 F 5.0759 8.3636 114.1589 55.6707 41.6310 173.4690 133 E 4.5200 8.4130 118.1659 54.4920 33.7280 174.3881 *135 K 4.2895 8.4266 119.5298 57.0560 33.7326 175.1861 136 L 5.1386 8.4783 125.9374 53.3475 43.5878 175.9686 137 R 4.9012 9.0257 121.6643 54.2691 34.9802 174.0159 138 E 5.5352 8.3905 117.7926 54.0055 33.3074 174.3365 139 E 4.8668 8.1610 118.7788 55.0812 34.8070 174.4089 140 L 4.3085 8.4071 124.7989 54.5295 41.8349 177.6272 141 L 3.5175 8.2173 127.0417 56.4334 41.7843 178.1393 142 S 4.5243 7.7008 111.4749 58.2710 64.1282 174.4927 143 S 4.2655 7.8181 117.3962 58.4359 62.5544 174.7345 144 D 4.5741 8.7124 126.5219 57.1005 40.7607 177.6118 145 S 4.3469 8.0472 113.9081 59.4798 63.2246 173.7273 146 F 4.8067 7.9285 123.6093 56.8631 40.4412 174.3523 147 H 4.1849 7.6990 125.9721 53.3654 32.7139 172.2047 148 P 4.3881 0.0000 0.0000 64.8542 31.5446 176.6067 149 D 5.3225 8.1112 118.1109 53.2871 41.9433 175.4701 150 K 3.7530 7.8507 119.9995 56.5875 32.7860 177.0991 151 D 4.3017 8.5394 123.9587 56.3208 39.8418 178.0250 152 E 3.9035 8.1514 119.9184 59.5335 29.2168 177.8978 153 Y 4.6329 7.5145 114.1243 59.7227 38.1253 176.5348 154 Y 4.8527 8.1463 117.1424 57.6061 38.9904 177.2233 155 K 3.8859 8.1041 120.8164 59.8928 31.9232 178.5600 156 D 4.0456 7.8288 117.4686 56.1418 40.6351 177.4663 157 F 4.8433 7.9589 115.6447 56.9728 40.1760 175.5450 158 L 4.4222 7.5204 123.3632 54.7931 41.8723 176.1009 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 2 E 8.43 4.35 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 3 S 8.60 4.35 0.00 4.15 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 0.00 4 V 8.03 4.79 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 0.75 0.00 0.00 0.93 0.00 0.00 5 N 9.24 5.00 0.00 2.97 2.62 0.00 0.00 6.60 6.87 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 6 T 8.55 5.07 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 1.07 0.00 0.00 7 S 8.67 4.75 0.00 3.72 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 8 F 9.09 4.80 0.00 2.89 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 9 L 8.85 4.24 0.00 1.68 1.76 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.67 4.71 0.00 4.01 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 11 P 0.00 4.42 0.00 2.30 2.22 0.00 3.62 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 2.17 2.13 0.00 12 S 8.17 4.91 0.00 3.98 4.36 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 13 L 7.99 5.09 0.00 1.75 1.55 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.93 4.71 1.78 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 0.58 0.00 0.00 -0.03 0.00 0.00 15 T 8.51 4.50 4.08 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 1.28 0.00 0.00 16 I 7.88 4.57 1.58 0.00 0.00 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 0.92 0.58 0.74 0.00 0.00 17 R 8.46 4.38 0.00 1.78 1.47 0.00 3.06 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.50 0.00 18 D 8.69 4.97 0.00 2.67 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 9.24 4.23 0.00 3.25 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 20 D 8.49 4.42 0.00 2.82 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 21 N 8.71 4.59 0.00 2.85 2.86 0.00 0.00 7.03 7.27 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 22 G 7.82 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 23 Q 8.11 5.05 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 24 F 8.77 5.08 0.00 2.80 2.61 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 25 A 8.34 5.09 1.10 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 26 V 8.81 4.38 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.23 0.00 0.00 27 L 8.99 5.02 0.00 1.64 1.47 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.94 5.00 0.00 1.80 1.81 0.00 3.28 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 29 I 8.55 4.44 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.55 0.98 0.00 0.00 30 G 8.83 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.39 3.95 0.00 1.70 1.85 0.00 3.25 0.00 0.00 3.52 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 32 T 7.59 3.68 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 0.65 0.00 0.00 33 G 7.83 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 34 F 7.84 4.84 0.00 3.07 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.72 0.00 2.00 2.06 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 36 A 9.06 4.49 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 37 D 9.22 4.95 0.00 2.83 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 38 K 8.84 4.09 0.00 1.88 1.88 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.56 7.81 39 G 8.13 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 40 D 9.00 4.64 0.00 2.87 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.86 3.69 2.00 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 1.30 0.67 0.88 0.00 0.00 42 D 8.48 4.32 0.00 2.93 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 43 L 8.20 3.65 0.00 1.72 1.81 0.81 0.61 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 44 C 7.86 3.99 0.00 3.03 3.04 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 45 L 7.98 4.09 0.00 1.78 1.71 0.91 0.91 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 46 D 8.36 4.56 0.00 2.85 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 47 K 8.09 4.32 0.00 1.72 1.77 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.53 7.81 *49 K 8.18 4.19 0.00 1.80 2.02 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.53 1.44 7.81 50 G 8.19 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.87 3.54 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 1.11 0.00 0.00 0.88 0.00 0.00 52 R 7.90 3.93 0.00 2.07 2.17 0.00 3.02 0.00 0.00 3.53 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 53 D 8.47 4.28 0.00 2.86 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 54 A 8.34 3.96 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 55 Q 8.37 3.92 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 56 Q 8.02 3.96 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 57 S 7.78 4.28 0.00 4.08 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 58 I 7.58 4.15 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 1.47 0.66 0.98 0.00 0.00 59 G 6.72 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.97 4.20 0.00 2.71 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.10 3.37 0.00 2.59 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 62 T 7.49 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 1.18 0.00 0.00 63 E 7.37 3.91 0.00 2.08 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 2.50 2.56 0.00 64 F 8.77 4.36 0.00 3.00 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 65 G 7.94 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 F 7.37 4.04 0.00 3.02 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.00 3.91 0.00 1.50 1.58 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.22 1.49 7.81 68 G 5.38 3.28 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 0.00 69 P 0.00 4.65 0.00 2.10 2.03 0.00 3.74 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 70 H 9.16 5.31 0.00 3.22 3.38 0.00 5.57 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 9.38 4.97 1.88 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 1.25 0.63 0.88 0.00 0.00 72 R 8.87 4.72 0.00 1.68 1.96 0.00 3.36 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.92 0.00 73 I 8.51 4.21 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.72 0.95 0.00 0.00 74 R 9.21 4.50 0.00 1.41 1.44 0.00 2.36 0.00 0.00 2.64 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.62 0.00 75 C 7.53 4.97 0.00 1.80 1.62 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 76 V 8.91 4.48 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 0.90 0.00 0.00 0.88 0.00 0.00 77 D 8.73 5.23 0.00 2.99 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 78 I 9.03 4.43 1.85 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 0.93 0.66 0.83 0.00 0.00 79 D 9.00 4.89 0.00 2.63 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.28 5.43 0.00 3.04 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 81 K 8.20 3.94 0.00 1.55 1.74 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.97 1.24 7.81 82 H 7.99 4.73 0.00 3.22 3.33 0.00 5.70 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 7.58 4.57 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 1.26 0.00 0.00 84 Y 8.37 4.70 0.00 3.04 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 85 N 9.04 5.35 0.00 2.64 2.58 0.00 0.00 6.28 7.67 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 86 A 8.08 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *88 V 8.33 4.06 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 0.92 0.00 0.00 0.88 0.00 0.00 89 Y 8.80 5.01 0.00 2.68 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 90 V 8.83 4.94 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 0.65 0.00 0.00 1.11 0.00 0.00 91 D 9.02 5.10 0.00 2.53 2.40 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 92 L 9.24 4.96 0.00 1.74 1.54 0.99 1.12 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 93 I 8.98 4.78 2.00 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 1.11 0.64 0.92 0.00 0.00 94 V 8.34 4.58 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 0.83 0.00 0.00 0.91 0.00 0.00 95 G 8.28 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 96 T 7.80 4.49 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 1.20 0.00 0.00 97 G 7.88 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 98 A 7.56 4.57 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 99 S 8.72 4.44 0.00 4.06 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 0.00 100 E 8.70 3.86 0.00 2.08 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 2.38 2.47 0.00 101 V 7.70 3.80 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 0.91 0.00 0.00 0.92 0.00 0.00 102 E 7.90 3.94 0.00 2.19 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 2.29 2.32 0.00 103 R 8.02 3.90 0.00 2.01 2.09 0.00 3.11 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 104 E 8.11 3.95 0.00 2.15 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 2.32 2.44 0.00 105 T 8.29 3.86 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 1.20 0.00 0.00 106 A 8.04 4.00 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 0.00 107 E 8.48 3.92 0.00 2.21 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 2.34 2.49 0.00 108 E 8.12 4.02 0.00 2.02 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 2.55 2.46 0.00 109 L 7.95 3.91 0.00 1.85 1.66 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.17 3.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.16 4.03 0.00 2.05 2.06 0.00 1.75 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.73 1.82 7.81 112 E 8.27 3.93 0.00 2.17 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 2.31 2.36 0.00 113 K 8.22 3.94 0.00 1.86 1.80 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.69 1.62 7.81 114 L 8.09 3.79 0.00 1.05 0.67 0.55 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.19 3.93 0.00 2.09 2.03 0.00 3.19 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.06 0.00 116 A 7.85 3.89 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 0.00 117 A 8.06 3.91 1.24 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 0.00 0.00 118 L 8.05 4.16 0.00 1.65 1.66 0.67 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 7.71 3.36 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 120 V 7.74 3.94 2.17 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 0.86 0.00 0.00 1.15 0.00 0.00 121 D 9.22 4.57 0.00 2.87 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 7.22 4.61 1.88 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 1.35 0.76 0.92 0.00 0.00 123 A 8.43 4.74 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 0.00 124 D 8.41 5.32 0.00 2.95 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 0.00 125 E 8.82 4.15 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 126 H 9.28 4.79 0.00 3.46 3.53 0.00 5.96 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 8.09 3.96 0.00 4.04 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 0.00 128 C 7.88 5.08 0.00 3.10 3.12 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 0.00 129 V 8.37 5.31 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 1.06 0.00 0.00 0.96 0.00 0.00 130 T 8.47 5.15 4.36 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 1.20 0.00 0.00 131 Q 8.89 5.15 0.00 1.79 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 132 F 8.36 5.08 0.00 3.06 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 0.00 133 E 8.41 4.52 0.00 1.72 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 2.08 2.00 0.00 *135 K 8.43 4.29 0.00 1.95 1.93 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.50 7.81 136 L 8.48 5.14 0.00 1.55 1.55 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 137 R 9.03 4.90 0.00 1.59 1.70 0.00 2.48 0.00 0.00 2.73 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 138 E 8.39 5.54 0.00 1.94 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 2.23 2.12 0.00 139 E 8.16 4.87 0.00 1.48 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 2.35 2.48 0.00 140 L 8.41 4.31 0.00 1.68 1.54 0.87 0.61 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 0.00 141 L 8.22 3.52 0.00 1.49 1.55 0.75 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 142 S 7.70 4.52 0.00 3.97 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 0.00 143 S 7.82 4.27 0.00 3.96 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 0.00 144 D 8.71 4.57 0.00 2.75 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 0.00 145 S 8.05 4.35 0.00 3.95 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 0.00 146 F 7.93 4.81 0.00 3.03 3.19 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 0.00 147 H 7.70 4.18 0.00 2.95 2.82 0.00 5.73 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 0.00 148 P 0.00 4.39 0.00 2.05 2.07 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.90 0.00 149 D 8.11 5.32 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 K 7.85 3.75 0.00 1.54 0.74 0.00 1.41 0.00 0.00 1.53 0.00 0.00 3.02 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.17 1.20 7.81 151 D 8.54 4.30 0.00 2.72 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 0.00 152 E 8.15 3.90 0.00 1.93 1.69 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 2.42 2.42 0.00 153 Y 7.51 4.63 0.00 2.97 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 0.00 154 Y 8.15 4.85 0.00 3.13 3.16 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 0.00 155 K 8.10 3.89 0.00 1.90 1.84 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.61 7.81 156 D 7.83 4.05 0.00 1.58 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 F 7.96 4.84 0.00 3.10 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 7.52 4.42 0.00 1.81 1.59 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.