NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.8911 8.3649 120.2887 53.2737 42.3072 171.9835 6 F 4.5925 9.1527 118.6206 56.9433 39.0190 171.5632 7 E 4.2510 7.4740 126.5111 57.2210 32.4836 172.3092 8 E 3.7555 8.3942 121.7980 56.2357 28.0886 172.6010 9 K 4.6054 8.5538 126.8341 54.6221 35.2140 174.1332 10 M 4.5570 8.5895 127.2456 55.5539 33.3232 173.8560 11 I 3.9702 8.6685 129.4830 62.5308 37.3842 177.9360 12 L 4.8340 9.1526 131.7331 55.0190 44.5295 176.5510 13 I 5.3541 8.0417 118.5105 60.0811 41.2967 174.8586 14 R 4.7712 9.0019 121.0328 54.7608 33.5805 174.1103 15 R 4.4356 8.5467 120.5810 54.6967 31.1594 175.1706 16 T 4.4574 8.2639 117.4942 61.4786 71.0073 173.0796 17 A 4.6228 8.0411 121.1018 50.7811 21.8843 175.7687 18 R 4.6399 8.4729 116.8329 54.6380 33.0888 174.4142 19 M 5.0033 8.2148 118.7440 54.1094 34.9053 175.7742 20 Q 4.2882 8.9943 120.6083 55.6404 32.6214 173.1569 21 A 3.9791 8.2156 127.0391 52.3114 18.8781 176.7054 22 G 4.0301 9.1640 111.3252 45.1502 0.0000 174.0562 23 G 3.6693 7.0114 106.4939 44.4682 0.0000 172.0025 24 R 4.8248 8.0476 117.1948 54.4156 31.9986 175.6993 25 R 4.4885 8.4252 121.7413 54.8539 32.6763 175.6279 26 F 4.8101 8.7540 125.4126 57.6649 41.5181 174.5484 27 R 4.5189 7.3782 117.1703 56.7752 32.8936 173.7815 28 F 5.3018 8.8019 122.7440 55.7805 43.2939 174.5277 29 G 4.3312 8.9196 106.5219 44.7144 0.0000 171.4134 30 A 5.2068 9.2629 126.2602 49.9415 22.6517 174.8880 31 L 5.1145 8.8984 124.4083 53.6521 43.3439 174.5404 32 V 4.5431 8.7060 126.2696 61.0229 33.9382 174.9696 33 V 4.8448 8.6215 127.8507 61.9529 34.2876 174.7159 34 V 4.7362 8.1793 121.5671 61.0606 35.1070 173.0808 35 G 4.6604 8.2601 109.8455 46.0262 0.0000 172.5502 36 D 4.9143 9.1696 116.7095 52.6036 41.3048 177.0817 37 R 4.2893 8.3565 116.7314 56.2760 28.1033 176.0511 38 Q 4.5670 10.7000 114.1357 55.8060 29.8262 175.9226 39 G 4.1617 8.8534 107.0651 45.2322 0.0000 174.4549 40 R 4.7510 8.0928 119.4482 55.0037 33.6777 174.6684 41 V 4.8808 8.2768 117.3376 59.4444 35.7698 175.3639 42 G 4.3909 9.0397 109.2910 44.5645 0.0000 171.1889 43 L 5.2588 8.2459 123.6348 52.9281 44.6847 175.9496 44 G 4.4223 9.2092 112.7841 44.3741 0.0000 171.2737 45 F 5.4859 8.9455 124.0546 56.2881 41.8322 174.0454 46 G 4.1954 8.8990 113.8449 44.1935 0.0000 171.4316 47 K 5.1534 8.2855 120.2570 54.4388 35.3190 175.4260 48 A 4.7627 9.1964 125.1492 50.1189 22.7243 175.4601 49 P 4.4930 0.0000 0.0000 64.5970 31.9204 177.1060 50 E 4.5020 7.8264 118.3055 53.1062 33.6487 174.8896 51 V 3.2998 7.5236 125.7595 65.8111 31.5396 176.1727 52 P 4.4213 0.0000 0.0000 65.7583 31.1461 178.3546 53 L 3.9194 7.8481 116.4473 57.7529 41.6474 178.9775 54 A 4.0156 8.3294 120.9677 55.5802 18.1331 179.8536 55 V 3.6059 8.4756 116.0630 66.6326 31.6532 177.1556 56 Q 4.1071 8.1768 119.9859 57.5255 28.7816 177.7196 57 K 3.9911 9.1511 119.2243 59.7959 32.4525 178.6188 58 A 4.3708 8.2086 120.8519 55.6356 18.1093 179.9662 59 G 3.6799 8.5440 104.2276 47.8574 0.0000 175.4336 60 Y 4.2551 8.2897 122.1806 61.0313 38.9241 177.3935 61 Y 3.6938 7.6374 116.6835 60.9649 37.7065 177.0843 62 A 3.9772 8.2178 121.6584 55.5557 18.4093 179.1827 63 R 3.8083 7.9340 117.1075 59.0571 30.4425 179.1311 64 R 4.1551 7.3775 117.3715 58.3612 30.6664 177.4960 65 N 4.6571 8.2120 124.5113 52.0521 38.6356 173.3186 66 M 5.0751 7.9883 125.9414 53.1962 35.9837 175.3018 67 V 4.6270 8.1593 118.2546 60.1935 34.8781 174.2851 68 E 4.3121 8.8987 123.0157 56.4833 30.5056 176.4311 69 V 4.3240 8.1373 121.5054 59.7014 33.8799 174.9604 70 P 4.5722 0.0000 0.0000 62.4672 28.9287 174.8415 71 L 4.2187 7.4083 120.1641 56.1573 42.1051 178.1779 72 Q 4.5506 8.5012 113.4700 56.6252 30.9343 173.0349 73 N 4.3453 8.9685 123.0362 54.0270 35.8333 174.2950 74 G 4.1016 8.8510 101.0463 46.4289 0.0000 173.7206 75 T 4.6853 7.2640 111.5413 60.0929 70.7690 172.4166 76 I 3.7713 8.2137 127.1951 60.3155 38.6388 173.7799 77 P 5.2528 0.0000 0.0000 65.1972 31.7407 175.3642 78 H 5.2054 7.5372 117.6968 54.0761 31.5120 172.0870 79 E 5.0041 9.0666 114.9583 54.7063 32.9089 174.8562 80 I 4.8692 8.4965 114.2447 59.7554 42.1272 173.4476 81 E 5.1671 8.5335 120.2270 55.0366 33.4019 175.4187 82 V 4.4911 8.9898 123.8197 61.2238 34.9843 173.7981 83 E 5.1125 8.9319 126.6788 54.9312 32.0366 176.1319 84 F 4.6403 9.5973 125.8033 57.4301 41.4725 174.9068 85 G 3.6120 7.9441 120.2948 46.6177 0.0000 173.1430 86 A 4.3668 8.3951 127.0545 52.1571 19.4236 176.5134 87 S 5.1624 7.7452 113.2911 56.5145 64.8546 173.3317 88 K 5.0197 9.3709 125.5240 54.6026 35.3822 174.5637 89 I 5.0300 9.1236 127.0801 59.1409 41.7446 173.9347 90 V 4.8495 8.5501 127.3962 61.0406 34.7193 174.0107 91 L 5.1988 9.3302 127.4946 52.8041 44.9497 175.4413 92 K 4.5045 9.3970 125.0756 53.6423 34.9181 173.3122 93 P 4.5810 0.0000 0.0000 63.5787 31.4075 175.2706 94 A 4.9404 8.2912 122.1420 49.7871 22.1007 175.9454 95 A 4.1456 8.5959 122.2037 50.9203 19.3036 175.9085 96 P 4.5230 0.0000 0.0000 63.4008 32.3193 176.2772 97 G 3.8981 8.8043 108.2239 47.7356 0.0000 173.9218 98 T 4.2508 8.8823 115.3968 63.7087 71.0830 176.7322 99 G 4.1233 8.3728 105.3308 44.1247 0.0000 172.1971 100 V 4.3037 7.9647 113.1141 60.2790 32.5481 175.8179 101 I 4.4538 7.8093 119.9399 59.7508 39.6259 174.6239 102 A 4.3643 8.1606 127.3441 51.2117 22.3115 175.0094 103 G 3.9020 8.5017 107.1274 44.7727 0.0000 174.6521 104 A 4.0294 8.4136 120.2391 55.1541 18.0534 179.5957 105 V 3.5960 7.7455 117.1816 65.0212 31.8008 175.9053 106 P 4.1982 0.0000 0.0000 66.3115 30.9140 177.7926 107 R 3.8010 8.1462 117.8176 59.2620 29.8185 178.2209 108 A 3.9381 8.1048 120.2238 55.3574 18.4778 179.6595 109 I 3.6496 7.5176 118.1172 64.5141 37.2248 178.4416 110 L 3.9483 7.9016 119.6484 58.0103 41.5382 179.3703 111 E 3.9636 8.6117 118.4927 59.7141 29.4632 179.5056 112 L 4.1832 7.7647 117.4884 56.6706 41.7824 178.9011 113 A 4.2455 7.8819 121.2682 52.9236 18.2676 178.7006 114 G 4.1100 7.7331 105.5641 45.5512 0.0000 174.1094 115 V 3.9453 7.7046 118.7370 62.7910 32.4459 175.1494 116 T 4.5405 8.9188 120.0540 64.7368 71.3009 173.9254 117 D 5.0774 7.5268 119.8202 52.4566 45.0342 174.5099 118 I 4.2099 7.9680 117.9266 60.3599 42.6740 172.6902 119 L 4.6219 8.6348 131.0200 54.4478 42.9577 176.0385 120 T 5.6887 8.0021 112.0706 60.2080 72.2411 173.0766 121 K 4.6378 8.4996 123.7760 54.8041 36.1530 174.3489 122 E 4.8289 8.7506 126.2028 55.3713 31.2913 175.0777 123 L 4.6487 9.2215 124.5626 54.2957 45.9324 177.8809 124 G 3.5965 8.8518 109.8642 44.0127 0.0000 172.0074 125 S 3.9745 8.1697 112.1207 59.5298 62.4166 175.6339 126 R 4.3534 8.4138 125.8135 56.1175 30.3999 176.0263 127 N 4.2295 7.9468 117.2435 53.5382 39.4192 172.8118 128 P 4.1121 0.0000 0.0000 66.0976 31.5551 177.9417 129 I 3.3726 7.3222 117.5524 64.8130 36.9576 178.0311 130 N 4.6202 8.1570 115.9592 56.5971 38.5967 177.3283 131 I 3.6349 8.3068 121.2367 64.3898 37.1061 177.8663 132 A 3.8472 8.5797 122.1294 55.6265 18.1300 179.0740 133 Y 4.1145 7.4173 113.9123 61.2570 38.0887 178.7195 134 A 4.0082 8.6145 122.5084 55.8266 18.4862 179.8858 135 T 3.8081 8.2801 114.0528 67.8250 68.6021 175.9648 136 M 3.9425 8.4381 120.0492 57.9888 31.5585 178.6757 137 E 3.8125 8.2957 121.3865 60.4067 30.3198 178.9096 138 A 3.8120 8.1500 119.0874 54.9040 18.1630 179.2887 139 L 4.0181 8.1130 114.6193 57.5697 42.1157 179.8987 140 R 4.0670 7.7629 115.0231 57.9691 30.0484 176.3807 141 Q 4.6112 8.4993 115.7544 56.1651 29.9362 175.5692 142 L 4.3462 8.2375 118.8791 54.5498 42.3710 176.4597 143 R 4.7900 8.2581 119.2690 54.0016 34.5747 175.0991 144 T 4.6854 9.8156 111.1390 59.5678 72.6036 175.2347 145 K 3.8940 8.7324 123.3404 60.7088 31.9540 177.3925 146 A 4.1302 8.2625 121.0412 54.7794 17.9521 177.8168 147 D 4.4216 7.7954 117.3721 54.1657 40.0403 178.3534 148 V 3.8711 7.5871 121.0527 65.7272 31.9206 177.2912 149 E 4.1416 7.9967 114.5694 57.7441 29.3983 177.7231 150 R 4.2168 7.4229 118.8620 56.9406 30.3316 176.2360 151 L 4.4855 8.3986 115.9589 55.1950 42.9172 176.3661 152 R 4.5378 7.3948 117.0743 54.4991 31.2175 174.4101 153 K 4.3962 9.3460 120.2425 56.0013 35.1929 177.7691 154 G 4.9700 7.8895 122.0709 46.8756 0.0000 172.6444 *155 E 4.1319 7.6283 117.7810 56.2067 30.4399 177.5821 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 5 D 8.36 4.89 0.00 2.79 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 6 F 9.15 4.59 0.00 3.01 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.47 4.25 0.00 1.93 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 0.00 2.24 2.28 0.00 8 E 8.39 3.76 0.00 2.17 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 2.23 2.31 0.00 9 K 8.55 4.61 0.00 1.86 1.61 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.35 7.81 10 M 8.59 4.56 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 11 I 8.67 3.97 2.04 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 1.28 0.65 0.90 0.00 0.00 12 L 9.15 4.83 0.00 1.69 1.80 0.97 0.61 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 13 I 8.04 5.35 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.55 1.08 0.00 0.00 14 R 9.00 4.77 0.00 1.90 2.04 0.00 2.77 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 15 R 8.55 4.44 0.00 1.76 1.80 0.00 2.66 0.00 0.00 3.06 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.00 16 T 8.26 4.46 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 1.25 0.00 0.00 17 A 8.04 4.62 0.73 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 18 R 8.47 4.64 0.00 1.81 1.93 0.00 2.71 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 19 M 8.21 5.00 0.00 1.85 1.95 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 20 Q 8.99 4.29 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 21 A 8.22 3.98 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 22 G 9.16 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 0.00 0.00 0.00 23 G 7.01 3.67 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 0.00 0.00 0.00 24 R 8.05 4.82 0.00 1.25 1.69 0.00 3.05 0.00 0.00 2.99 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.09 0.00 25 R 8.43 4.49 0.00 1.79 1.70 0.00 3.08 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 26 F 8.75 4.81 0.00 2.84 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 27 R 7.38 4.52 0.00 1.86 1.68 0.00 3.11 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 28 F 8.80 5.30 0.00 3.13 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 29 G 8.92 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 0.00 0.00 0.00 30 A 9.26 5.21 1.21 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 0.00 0.00 31 L 8.90 5.11 0.00 1.96 1.66 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.71 4.54 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 0.90 0.00 0.00 0.97 0.00 0.00 33 V 8.62 4.84 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 0.90 0.00 0.00 0.92 0.00 0.00 34 V 8.18 4.74 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 0.51 0.00 0.00 0.95 0.00 0.00 35 G 8.26 4.66 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 36 D 9.17 4.91 0.00 2.81 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 37 R 8.36 4.29 0.00 1.92 2.36 0.00 3.12 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 38 Q 10.70 4.57 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.37 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 39 G 8.85 4.16 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 0.00 40 R 8.09 4.75 0.00 2.19 1.88 0.00 3.16 0.00 0.00 3.64 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 41 V 8.28 4.88 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 0.75 0.00 0.00 0.91 0.00 0.00 42 G 9.04 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 0.00 0.00 0.00 0.00 43 L 8.25 5.26 0.00 1.71 1.57 0.97 0.83 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 44 G 9.21 4.42 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 0.00 45 F 8.95 5.49 0.00 2.91 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 46 G 8.90 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 0.00 0.00 0.00 47 K 8.29 5.15 0.00 1.50 1.63 0.00 1.52 0.00 0.00 1.46 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.22 0.88 7.81 48 A 9.20 4.76 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 49 P 0.00 4.49 0.00 2.12 2.22 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 50 E 7.83 4.50 0.00 2.00 1.67 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 2.19 2.27 0.00 51 V 7.52 3.30 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 0.90 0.00 0.00 -0.14 0.00 0.00 52 P 0.00 4.42 0.00 2.12 2.07 0.00 3.47 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 53 L 7.85 3.92 0.00 1.80 1.73 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.33 4.02 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 55 V 8.48 3.61 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 0.84 0.00 0.00 0.95 0.00 0.00 56 Q 8.18 4.11 0.00 2.40 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.40 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 57 K 9.15 3.99 0.00 1.98 2.23 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.83 7.81 58 A 8.21 4.37 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 0.00 0.00 59 G 8.54 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.29 4.26 0.00 2.87 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 61 Y 7.64 3.69 0.00 3.02 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 62 A 8.22 3.98 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 63 R 7.93 3.81 0.00 1.80 2.10 0.00 3.33 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 64 R 7.38 4.16 0.00 1.46 2.02 0.00 3.11 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 65 N 8.21 4.66 0.00 2.87 2.71 0.00 0.00 7.11 7.16 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 66 M 7.99 5.08 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.32 0.00 67 V 8.16 4.63 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 0.81 0.00 0.00 0.92 0.00 0.00 68 E 8.90 4.31 0.00 2.00 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 2.28 2.31 0.00 69 V 8.14 4.32 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 0.81 0.00 0.00 0.99 0.00 0.00 70 P 0.00 4.57 0.00 2.21 2.09 0.00 3.83 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 1.96 1.98 0.00 71 L 7.41 4.22 0.00 1.66 1.69 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.50 4.55 0.00 2.13 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.10 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 73 N 8.97 4.35 0.00 2.93 2.95 0.00 0.00 7.23 7.65 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 74 G 8.85 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 75 T 7.26 4.69 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 76 I 8.21 3.77 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.84 0.95 0.00 0.00 77 P 0.00 5.25 0.00 2.34 2.17 0.00 3.29 0.00 0.00 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.87 0.00 78 H 7.54 5.21 0.00 3.08 3.17 0.00 5.67 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 9.07 5.00 0.00 1.94 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 2.18 2.39 0.00 80 I 8.50 4.87 1.91 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 1.24 0.94 1.02 0.00 0.00 81 E 8.53 5.17 0.00 1.83 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 2.22 2.31 0.00 82 V 8.99 4.49 2.11 0.00 0.00 0.00 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 0.95 0.00 0.00 83 E 8.93 5.11 0.00 1.91 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 2.25 2.30 0.00 84 F 9.60 4.64 0.00 3.01 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.94 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 86 A 8.40 4.37 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 87 S 7.75 5.16 0.00 4.05 3.85 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 88 K 9.37 5.02 0.00 1.75 1.73 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.37 7.81 89 I 9.12 5.03 1.89 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 1.12 1.55 0.96 0.00 0.00 90 V 8.55 4.85 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 0.94 0.00 0.00 0.94 0.00 0.00 91 L 9.33 5.20 0.00 1.52 1.51 0.92 0.41 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 92 K 9.40 4.50 0.00 1.73 1.70 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.37 7.81 93 P 0.00 4.58 0.00 2.11 2.35 0.00 3.77 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 2.01 2.09 0.00 94 A 8.29 4.94 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 95 A 8.60 4.15 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 96 P 0.00 4.52 0.00 2.05 2.04 0.00 3.87 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 97 G 8.80 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 98 T 8.88 4.25 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 1.21 0.00 0.00 99 G 8.37 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 0.00 0.00 0.00 100 V 7.96 4.30 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 0.77 0.00 0.00 0.93 0.00 0.00 101 I 7.81 4.45 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.23 0.91 0.00 0.00 102 A 8.16 4.36 1.20 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 0.00 0.00 103 G 8.50 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 0.00 104 A 8.41 4.03 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.75 3.60 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 1.02 0.00 0.00 0.90 0.00 0.00 106 P 0.00 4.20 0.00 2.29 2.31 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 107 R 8.15 3.80 0.00 1.90 2.26 0.00 3.13 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 108 A 8.10 3.94 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 0.00 109 I 7.52 3.65 2.00 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 1.49 0.77 0.89 0.00 0.00 110 L 7.90 3.95 0.00 1.81 1.73 0.92 0.72 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 0.00 111 E 8.61 3.96 0.00 1.96 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 2.34 2.50 0.00 112 L 7.76 4.18 0.00 1.64 1.72 0.95 0.85 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 0.00 113 A 7.88 4.25 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 0.00 114 G 7.73 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.70 3.95 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 0.86 0.00 0.00 0.96 0.00 0.00 116 T 8.92 4.54 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 117 D 7.53 5.08 0.00 2.54 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 0.00 118 I 7.97 4.21 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.98 0.91 0.00 0.00 119 L 8.63 4.62 0.00 1.72 1.57 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.00 5.69 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 1.26 0.00 0.00 121 K 8.50 4.64 0.00 1.84 1.63 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.50 7.81 122 E 8.75 4.83 0.00 1.96 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 2.35 2.33 0.00 123 L 9.22 4.65 0.00 1.50 1.50 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.85 3.60 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 0.00 125 S 8.17 3.97 0.00 3.85 3.81 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 0.00 126 R 8.41 4.35 0.00 1.83 1.91 0.00 3.27 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 127 N 7.95 4.23 0.00 2.77 2.74 0.00 0.00 7.20 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 0.00 128 P 0.00 4.11 0.00 2.12 2.07 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 129 I 7.32 3.37 1.84 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.72 0.44 0.00 0.00 130 N 8.16 4.62 0.00 2.95 3.12 0.00 0.00 6.97 7.32 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 0.00 131 I 8.31 3.63 1.95 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 1.63 0.94 0.96 0.00 0.00 132 A 8.58 3.85 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 0.00 133 Y 7.42 4.11 0.00 2.59 1.81 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 0.00 134 A 8.61 4.01 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 0.00 135 T 8.28 3.81 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 1.19 0.00 0.00 136 M 8.44 3.94 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.91 0.00 137 E 8.30 3.81 0.00 1.99 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 2.21 2.50 0.00 138 A 8.15 3.81 1.39 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 0.00 0.00 139 L 8.11 4.02 0.00 1.82 1.76 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.76 4.07 0.00 1.79 2.08 0.00 3.28 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 141 Q 8.50 4.61 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 142 L 8.24 4.35 0.00 1.60 1.50 0.87 0.62 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 0.00 143 R 8.26 4.79 0.00 1.79 1.92 0.00 3.33 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 144 T 9.82 4.69 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 0.00 145 K 8.73 3.89 0.00 1.85 1.90 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.56 7.81 146 A 8.26 4.13 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 0.00 147 D 7.80 4.42 0.00 2.85 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 0.00 148 V 7.59 3.87 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 1.05 0.00 0.00 0.97 0.00 0.00 149 E 8.00 4.14 0.00 2.23 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 2.69 2.25 0.00 150 R 7.42 4.22 0.00 1.89 1.97 0.00 3.23 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 151 L 8.40 4.49 0.00 1.73 1.67 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.39 4.54 0.00 1.89 1.85 0.00 3.10 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 153 K 9.35 4.40 0.00 1.68 1.77 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.19 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.35 7.81 154 G 7.89 4.97 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 *155 E 7.63 4.13 0.00 1.75 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 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.