NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7802 8.3049 120.6174 55.3254 33.5579 174.7798 2 I 3.9909 8.7420 128.3937 60.4327 38.6922 169.8799 3 V 4.5105 10.0478 129.0267 61.7739 33.2717 174.3556 4 S 5.5602 9.0387 124.3102 57.1106 66.3807 173.2560 5 M 5.4449 9.0814 121.4131 53.6646 35.6184 174.4664 6 I 5.2080 8.9187 122.1991 59.4339 40.9156 174.2604 7 A 4.8717 8.8804 128.6919 50.8905 23.2188 174.5901 8 A 4.9885 8.6467 120.8871 50.1503 21.4130 175.7201 9 L 4.8556 8.8954 123.0253 53.1569 44.2397 177.1529 10 A 4.4245 8.4093 125.9613 50.0348 21.2001 176.3762 11 N 4.3127 8.8107 114.4023 54.9493 38.9908 175.3443 12 N 4.4318 9.3739 115.5415 54.2970 36.2236 174.8649 13 R 4.0696 7.9368 113.2984 57.0697 28.5284 176.2111 14 V 3.8418 7.7695 118.6666 62.8629 31.8849 176.5415 15 I 4.7262 8.2825 119.0152 60.9043 39.5432 175.5114 16 G 3.9715 7.3128 108.1385 44.4818 0.0000 171.5558 17 L 5.0485 8.5935 121.0014 55.2187 45.2555 175.4387 18 D 4.0683 9.9730 126.3326 55.5584 38.9030 173.3280 19 N 4.1047 8.4052 111.8277 54.2891 37.5472 172.7170 20 K 4.5270 7.6495 114.7592 54.2219 36.0122 174.6269 21 M 4.0643 7.8455 119.2318 53.1718 33.4736 175.4048 22 P 4.4607 0.0000 0.0000 60.8705 31.3490 174.9888 23 W 4.9304 6.6574 112.6057 56.7532 30.9115 173.4738 24 H 4.8327 8.8552 119.2987 54.8666 30.7043 174.8262 25 L 4.6157 7.8852 129.0683 52.4853 43.1162 173.5925 26 P 4.2352 0.0000 0.0000 65.4186 31.5731 178.4667 27 A 4.0173 8.6510 120.9062 54.7565 18.1404 179.1471 28 E 3.7119 7.9449 118.1909 59.1686 29.5252 178.9582 29 L 4.0400 7.7373 118.9699 57.7497 41.5247 179.4402 30 Q 4.0050 7.9085 117.7648 58.5417 28.8199 178.1903 31 L 3.8297 7.6978 121.3374 58.1175 42.0291 178.7880 32 F 4.1090 8.4096 120.6878 61.0936 39.2633 176.8824 33 K 3.7017 8.4145 119.3653 59.6867 31.8084 179.0133 34 R 3.8346 8.0180 116.9685 58.9416 30.0151 178.3657 35 A 4.1799 7.5416 118.8878 53.4890 18.9670 177.9393 36 T 4.0725 7.0231 106.7780 61.7026 70.6451 174.6997 37 L 3.9325 7.4939 123.9709 56.7496 42.2402 177.0746 38 G 3.9484 8.7701 113.2382 45.4496 0.0000 172.9829 39 K 4.8369 7.6151 117.8131 53.1819 35.7393 174.5731 40 P 4.6982 0.0000 0.0000 62.9587 32.8107 174.8992 41 I 5.0897 8.7411 115.3356 59.1660 40.5950 174.1850 42 V 4.9926 8.8067 126.0530 61.3132 34.0290 174.1347 43 M 5.2786 8.9732 123.9510 53.6947 35.2384 174.6963 44 G 4.0222 8.8834 108.0794 45.6553 0.0000 174.8017 45 R 4.1398 8.3450 119.5507 59.5568 29.8842 178.5817 46 N 4.3588 8.0747 115.7788 56.4869 38.5406 177.3735 47 T 3.8060 7.8319 116.7474 66.5015 68.5287 176.1924 48 F 4.2035 8.3383 122.5351 61.5425 39.2032 177.0819 49 E 3.6764 8.0460 116.9485 59.1357 29.2348 179.0302 50 S 4.1123 7.8051 112.7252 61.3733 62.5393 175.9988 51 I 3.7432 7.4687 121.6080 62.8508 36.9833 177.6096 52 G 3.7574 9.4631 106.5527 44.8606 0.0000 172.7713 53 R 4.4827 6.7072 112.9941 54.3808 31.6913 172.8379 54 P 4.7479 0.0000 0.0000 62.7621 31.8515 176.0515 55 L 4.5113 9.1730 122.3869 53.1407 42.6514 175.3150 56 P 4.6391 0.0000 0.0000 63.2744 32.3539 176.4448 57 G 3.9680 9.1114 106.7744 45.9908 0.0000 173.0740 58 R 4.8726 7.2722 116.5192 53.8810 34.5912 174.7143 59 L 4.1453 8.5413 124.7125 55.1014 43.4591 175.0226 60 N 5.0730 8.7925 124.2661 51.9078 40.7195 173.8472 61 I 4.7913 8.7458 125.8190 59.4896 39.8222 174.7874 62 V 4.7840 8.6800 127.8819 60.9964 33.6897 174.2333 63 L 4.9575 8.9296 128.5936 53.9634 43.2797 175.6976 64 S 4.5686 8.9891 117.5948 57.4252 66.0693 174.8291 65 R 4.4385 8.6038 123.8871 56.4285 30.3139 177.4487 66 Q 4.1285 7.7671 120.9204 56.3204 29.9079 177.7190 *68 D 4.4968 8.4524 120.1955 53.4280 41.4638 170.3404 69 Y 4.6821 7.7075 120.5645 57.1039 39.3115 175.5082 70 Q 4.2642 7.7873 128.4348 53.1623 29.4132 172.1453 71 P 4.1923 0.0000 0.0000 62.3424 32.4216 177.1157 72 E 3.9527 8.4195 117.8013 57.4958 30.1150 177.2874 73 G 4.0677 9.4823 110.7567 44.5495 0.0000 173.0747 74 V 4.4830 6.9585 110.6525 59.7513 36.2388 174.8626 75 T 4.3944 8.6705 119.4297 62.1853 70.0480 173.9893 76 V 4.6960 8.2657 126.9375 61.6355 33.0080 175.3575 77 V 4.6613 8.8593 120.0631 59.7177 35.4697 176.1395 78 A 5.0686 9.0157 123.9124 51.9044 20.0275 177.2880 79 T 4.7568 7.2936 105.6980 58.8731 73.3167 174.5912 80 L 4.0805 8.6065 123.9990 58.6580 41.7492 180.2823 81 E 4.0320 8.1454 117.7886 61.3143 29.6764 181.0579 82 D 4.5974 8.2904 119.6186 56.7407 40.8361 178.6207 83 A 3.9654 7.9756 121.6171 55.2284 18.1752 179.6847 84 V 3.5332 7.5152 115.2381 66.2488 31.8936 178.0239 85 V 3.7116 7.7475 117.3508 66.0609 31.1567 177.9070 86 A 4.0307 7.9727 119.1980 54.9649 18.2399 179.2037 87 A 4.0693 7.9616 118.8301 52.9554 18.6681 178.7066 88 G 3.7825 7.6229 105.3278 44.9273 0.0000 173.5811 89 D 4.5602 8.2694 117.7053 52.9778 39.5327 174.9463 90 V 4.2884 7.1817 117.2048 60.0487 34.6379 177.1451 91 E 4.2552 8.5795 118.2051 59.7182 30.5547 175.2601 92 E 5.2193 7.9555 119.1710 54.6772 32.8520 174.3269 93 L 4.8680 9.0070 126.8651 54.2327 43.9349 175.0543 94 M 5.0091 8.6101 120.6157 53.7759 34.4875 174.9852 95 I 4.5852 9.1695 126.5331 60.3900 38.5083 176.3645 96 I 4.7352 8.5573 120.7037 60.8299 38.4936 174.6105 97 G 2.8758 7.8620 108.8488 44.6934 0.0000 173.2446 98 G 4.1070 8.0207 105.7805 43.8467 0.0000 175.2481 99 A 4.2676 8.6589 121.9987 55.5726 18.6641 179.5202 100 T 3.8324 7.9511 107.7122 65.3578 68.7467 176.4779 101 I 3.7736 7.5412 122.1563 63.9996 37.2361 177.7466 102 Y 4.3925 7.8965 117.7487 61.1842 37.4287 178.4112 103 N 4.3481 8.3632 116.6985 56.7039 38.8086 177.2983 104 Q 4.1942 7.9760 117.3767 58.1293 29.1350 177.3593 105 C 4.6823 7.8982 115.5635 59.4095 29.3189 175.3564 106 L 4.1117 8.0081 122.9865 58.5448 41.4501 178.8577 107 A 3.9410 8.2983 117.8021 54.2756 18.3919 178.1537 108 A 4.4053 7.8061 116.7564 51.2212 20.0410 177.0759 109 A 4.4400 7.4878 121.3301 52.1087 19.3561 177.4520 110 D 4.7899 9.3940 122.4096 56.2297 42.6689 176.9410 111 R 5.3762 8.1241 115.6337 54.4851 35.1783 174.1451 112 L 5.1977 8.9205 122.2426 53.3198 45.0948 175.3426 113 Y 4.6704 9.7222 122.7528 56.7229 38.8281 173.9158 114 L 4.9047 8.3542 125.0645 52.9172 44.5995 175.6506 115 T 5.0414 8.5566 120.6031 62.3144 70.9810 173.1609 116 H 5.1493 9.5339 124.1584 54.2203 31.2254 173.6072 117 I 4.5603 8.5457 125.0570 59.8587 39.2330 175.3834 118 E 4.5608 9.0192 127.6086 55.0674 28.5417 174.6342 119 L 4.2913 7.7958 122.8523 54.3185 45.9974 173.1332 120 T 4.7534 8.6048 123.3611 62.1902 69.7621 173.8930 121 T 4.7117 8.1201 119.8450 59.9388 70.6927 172.8454 122 E 4.1822 8.7890 127.8428 56.1532 30.3084 175.8164 123 G 3.9034 8.4098 112.5706 43.7805 0.0000 171.6498 124 D 4.8481 8.5227 115.1230 52.7650 41.4270 175.2195 125 T 4.9526 6.5009 114.9885 62.2221 72.9592 172.7135 126 W 5.4294 8.9208 124.2246 54.5922 33.0608 174.9913 127 F 4.6149 9.3923 125.8833 57.2651 39.5972 173.3843 128 P 4.4743 0.0000 0.0000 62.7648 32.0255 176.7283 129 D 4.6821 8.3047 119.5091 53.3245 39.4133 176.0921 130 Y 4.5275 8.2290 121.4815 59.1680 38.6176 178.4504 131 E 4.3126 7.4925 118.2461 57.1481 29.6518 177.5436 132 Q 3.9530 7.8601 117.7202 58.0982 28.7773 175.7980 133 Y 4.8596 7.6778 115.6184 56.3065 40.4589 174.2284 134 N 5.0062 8.1417 117.8334 52.2694 40.5336 174.6121 135 W 5.6950 8.6287 121.0945 55.1491 33.8204 174.0307 136 Q 4.7636 9.2879 121.5441 54.3157 30.6365 174.2268 137 E 4.5751 8.9120 124.6840 56.3238 29.7695 175.8905 138 I 4.4971 8.8360 127.8356 62.3445 39.2783 175.3085 139 E 4.9107 7.8487 117.8691 56.0111 32.6677 173.7619 140 H 5.3633 8.3682 114.0284 55.0432 31.3363 172.3720 141 E 4.6611 9.2456 119.9677 55.1632 33.4203 173.7567 142 S 4.9251 8.1624 120.2843 56.7980 66.2997 173.0310 143 Y 4.4971 8.6426 120.4405 56.0055 40.9605 174.9257 144 A 4.7917 8.6419 125.6905 50.8811 19.9613 176.8792 145 A 4.4074 9.0571 122.9891 52.7602 19.3740 177.3564 146 D 4.6045 9.0336 118.4488 52.6460 42.0040 175.5287 147 D 4.4466 8.8230 117.3563 56.8122 40.8998 177.0569 148 K 4.4459 8.3887 116.4662 56.0694 33.5943 175.9188 149 N 4.8358 8.1780 116.8302 50.9907 40.5305 172.7895 150 P 4.5671 0.0000 0.0000 63.3226 32.0237 175.6803 151 H 5.1385 7.6449 115.3933 53.9572 32.2210 173.2323 152 N 4.9380 8.8153 119.1002 53.9423 39.9714 173.4585 153 Y 5.4007 8.5850 118.8818 56.1220 42.3933 173.4747 154 R 5.1027 9.1669 119.3386 54.8538 34.1831 173.2226 155 F 5.3916 9.6673 128.3319 56.8333 41.9494 174.3181 156 S 4.6224 8.0773 119.6289 56.3020 65.8553 172.0223 157 L 4.4297 8.4898 129.9408 53.4165 43.4943 174.7818 158 L 5.2199 8.6767 127.0653 53.0880 44.5152 175.3956 159 E 5.3304 9.2084 122.2949 54.3169 32.7036 175.5534 160 R 3.6781 9.0494 125.0567 56.1785 30.9225 176.5169 161 V 3.9727 7.9126 125.1659 62.9711 31.3120 175.0320 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 M 8.30 4.78 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.62 0.00 2 I 8.74 3.99 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.57 1.02 0.00 0.00 3 V 10.05 4.51 2.16 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 1.04 0.00 0.00 0.98 0.00 0.00 4 S 9.04 5.56 0.00 4.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 M 9.08 5.44 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.65 0.00 6 I 8.92 5.21 1.77 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 1.40 1.30 1.09 0.00 0.00 7 A 8.88 4.87 0.80 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 0.00 0.00 8 A 8.65 4.99 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 9 L 8.90 4.86 0.00 1.41 1.54 0.20 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.41 4.42 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 11 N 8.81 4.31 0.00 2.85 2.80 0.00 0.00 7.47 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 12 N 9.37 4.43 0.00 3.08 3.08 0.00 0.00 6.99 7.66 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 13 R 7.94 4.07 0.00 2.43 2.36 0.00 3.61 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 14 V 7.77 3.84 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 0.94 0.00 0.00 1.02 0.00 0.00 15 I 8.28 4.73 2.06 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.90 1.24 0.00 0.00 16 G 7.31 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 17 L 8.59 5.05 0.00 1.50 1.31 0.88 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.97 4.07 0.00 2.71 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.41 4.10 0.00 2.75 2.78 0.00 0.00 7.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.65 4.53 0.00 1.64 1.46 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.21 1.41 7.81 21 M 7.85 4.06 0.00 0.51 1.23 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 22 P 0.00 4.46 0.00 2.15 1.95 0.00 2.62 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.81 0.00 23 W 6.66 4.93 0.00 3.37 3.18 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 24 H 8.86 4.83 0.00 3.15 3.31 0.00 5.75 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.89 4.62 0.00 1.81 1.52 0.95 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.24 0.00 2.27 2.23 0.00 3.80 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 27 A 8.65 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 28 E 7.94 3.71 0.00 1.61 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 1.93 2.09 0.00 29 L 7.74 4.04 0.00 1.86 1.72 0.87 1.32 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 30 Q 7.91 4.00 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 31 L 7.70 3.83 0.00 1.56 1.88 0.93 1.35 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 32 F 8.41 4.11 0.00 3.18 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 33 K 8.41 3.70 0.00 1.93 1.95 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.46 7.81 34 R 8.02 3.83 0.00 1.73 1.93 0.00 3.18 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 35 A 7.54 4.18 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 36 T 7.02 4.07 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 0.51 0.00 0.00 37 L 7.49 3.93 0.00 1.76 1.57 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.77 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 39 K 7.62 4.84 0.00 1.68 1.63 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.29 7.81 40 P 0.00 4.70 0.00 2.11 2.17 0.00 3.80 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 2.07 1.96 0.00 41 I 8.74 5.09 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.15 0.86 0.00 0.00 42 V 8.81 4.99 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 1.08 0.00 0.00 0.95 0.00 0.00 43 M 8.97 5.28 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.72 0.00 44 G 8.88 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 45 R 8.34 4.14 0.00 1.93 1.84 0.00 2.76 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.02 0.00 46 N 8.07 4.36 0.00 2.74 3.04 0.00 0.00 7.15 7.05 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 47 T 7.83 3.81 4.38 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 1.19 0.00 0.00 48 F 8.34 4.20 0.00 3.22 3.35 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 49 E 8.05 3.68 0.00 2.10 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 2.47 2.69 0.00 50 S 7.81 4.11 0.00 3.88 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 51 I 7.47 3.74 1.87 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 1.35 0.71 0.94 0.00 0.00 52 G 9.46 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 53 R 6.71 4.48 0.00 1.89 1.82 0.00 3.06 0.00 0.00 3.22 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0.00 1.81 2.08 0.00 3.26 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.33 0.00 72 E 8.42 3.95 0.00 1.98 1.74 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 2.23 1.88 0.00 73 G 9.48 4.07 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 0.00 0.00 0.00 74 V 6.96 4.48 1.90 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 0.40 0.00 0.00 0.47 0.00 0.00 75 T 8.67 4.39 4.19 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 1.18 0.00 0.00 76 V 8.27 4.70 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 0.89 0.00 0.00 0.83 0.00 0.00 77 V 8.86 4.66 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 0.69 0.00 0.00 0.99 0.00 0.00 78 A 9.02 5.07 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 79 T 7.29 4.76 4.25 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 7.32 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 105 C 7.90 4.68 0.00 3.18 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 0.00 106 L 8.01 4.11 0.00 2.02 1.87 1.31 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.30 3.94 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 0.00 108 A 7.81 4.41 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.49 4.44 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 9.39 4.79 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 0.00 111 R 8.12 5.38 0.00 1.95 1.85 0.00 3.38 0.00 0.00 3.39 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 112 L 8.92 5.20 0.00 0.99 1.08 -0.21 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 121 T 8.12 4.71 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 1.40 0.00 0.00 122 E 8.79 4.18 0.00 2.01 1.85 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 2.32 2.39 0.00 123 G 8.41 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 0.00 124 D 8.52 4.85 0.00 2.71 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 T 6.50 4.95 4.15 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 0.00 0.00 1.26 0.00 0.00 126 W 8.92 5.43 0.00 3.32 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 0.00 127 F 9.39 4.61 0.00 3.03 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.47 0.00 2.14 2.11 0.00 2.20 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.74 0.00 129 D 8.30 4.68 0.00 2.76 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.23 4.53 0.00 3.28 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 0.00 131 E 7.49 4.31 0.00 1.73 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 2.07 1.47 0.00 132 Q 7.86 3.95 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.72 0.00 0.00 0.00 0.00 0.00 2.07 1.16 0.00 133 Y 7.68 4.86 0.00 3.19 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 0.00 134 N 8.14 5.01 0.00 2.51 2.67 0.00 0.00 6.55 7.68 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 0.00 135 W 8.63 5.70 0.00 3.22 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 0.00 136 Q 9.29 4.76 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.02 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 137 E 8.91 4.58 0.00 2.01 1.90 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 2.34 2.26 0.00 138 I 8.84 4.50 1.84 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 1.44 1.02 0.92 0.00 0.00 139 E 7.85 4.91 0.00 2.07 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 2.33 2.41 0.00 140 H 8.37 5.36 0.00 3.09 3.34 0.00 5.73 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 0.00 141 E 9.25 4.66 0.00 2.11 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 1.97 1.47 0.00 142 S 8.16 4.93 0.00 3.58 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 Y 8.64 4.50 0.00 1.43 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.64 4.79 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 0.00 145 A 9.06 4.41 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 0.00 146 D 9.03 4.60 0.00 2.84 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 0.00 147 D 8.82 4.45 0.00 2.71 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 8.39 4.45 0.00 1.75 1.85 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.39 7.81 149 N 8.18 4.84 0.00 2.87 2.81 0.00 0.00 6.63 7.89 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 0.00 150 P 0.00 4.57 0.00 2.01 2.11 0.00 3.84 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.96 0.00 151 H 7.64 5.14 0.00 3.02 3.17 0.00 5.70 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 0.00 152 N 8.82 4.94 0.00 2.68 2.74 0.00 0.00 6.57 7.48 0.00 0.00 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 Y 8.59 5.40 0.00 3.08 2.92 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 0.00 154 R 9.17 5.10 0.00 1.93 1.80 0.00 3.24 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 155 F 9.67 5.39 0.00 3.37 3.11 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 0.00 156 S 8.08 4.62 0.00 3.69 3.35 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 0.00 157 L 8.49 4.43 0.00 1.62 1.38 0.12 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.68 5.22 0.00 1.29 1.63 0.53 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 159 E 9.21 5.33 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 160 R 9.05 3.68 0.00 1.58 1.67 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.22 0.00 161 V 7.91 3.97 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 0.75 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.