NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 K 4.3603 8.3144 120.1341 55.8991 35.7564 176.2708 11 Q 3.6322 8.6414 120.6527 56.7287 27.9359 175.8846 12 A 4.7067 9.3948 117.9865 49.9929 20.6217 178.8090 13 S 4.8245 7.0939 114.6803 57.5176 65.9205 178.2428 14 I 4.5785 7.2956 120.8565 58.8917 38.1214 173.0116 15 P 4.5979 0.0000 0.0000 62.2974 32.2125 177.7875 16 A 3.6901 7.2530 125.4477 53.5246 21.3319 176.4873 17 P 4.9926 0.0000 0.0000 61.0113 30.0784 177.0555 18 G 4.1023 8.9810 102.2161 46.0272 0.0000 173.7701 19 S 4.4933 8.1690 117.0432 57.3838 63.4464 175.3236 20 I 4.6192 7.8889 128.3432 59.8402 37.2970 174.8724 21 L 4.2159 7.6133 121.0209 55.6807 40.3287 176.9818 22 S 4.6598 7.9142 113.5803 58.2020 65.3176 172.8741 23 Q 4.6813 7.8600 115.2221 55.7466 29.6500 171.6857 24 P 4.4746 0.0000 0.0000 65.0253 32.1128 177.6933 25 N 4.7650 7.7535 110.2526 53.7836 44.0672 174.3401 26 T 4.1382 7.4920 112.8678 60.5706 68.9424 172.0827 27 E 3.9810 8.8351 131.0906 57.1363 30.0236 175.4133 28 Q 4.7634 8.1586 126.3811 53.8633 33.0536 173.9373 29 S 4.2511 8.8578 115.8687 57.5967 63.6625 172.6108 30 P 4.1452 0.0000 0.0000 62.8994 30.9066 176.2141 31 A 4.2577 7.8220 126.5860 51.8858 19.0101 176.5072 32 I 4.1671 8.0101 121.9982 59.7367 39.2669 175.3005 33 V 3.6806 8.4996 127.0174 63.2856 31.4080 175.0500 34 L 4.6786 8.8418 130.0103 52.3806 42.7374 175.0389 35 P 4.7049 0.0000 0.0000 62.7931 32.9562 175.1389 36 F 5.0908 8.1126 113.0105 56.5120 41.4686 173.3024 37 Q 5.0705 8.6160 118.7489 55.0502 32.6076 173.8058 38 F 4.7138 8.3942 119.2677 57.2330 40.8517 173.4333 39 E 4.9910 8.8732 117.6679 53.6923 30.3239 176.7245 40 A 4.5197 8.5940 129.7966 54.8207 18.8459 178.1298 41 T 4.6651 7.3347 110.3629 62.6506 72.7658 172.9220 42 T 4.7807 8.3802 116.5731 60.5724 71.8488 174.0514 *43 F 4.6770 8.1822 118.7946 55.6649 41.2823 171.8884 44 G 4.8383 8.3068 116.4957 44.9976 0.0000 174.5842 45 T 4.6969 7.3836 109.5616 58.3810 69.1589 173.0878 46 A 4.2633 7.2665 119.3060 52.0341 22.3248 178.3033 47 E 4.6899 8.9254 123.6431 56.3635 27.6930 175.6221 48 T 3.8663 8.0670 117.3337 61.1728 69.6026 173.0548 49 A 5.9400 7.9262 123.7282 51.2756 19.5224 175.0545 50 A 4.7226 7.6814 126.5218 50.1725 23.1055 177.4453 51 Q 4.6921 8.7216 121.5823 54.0177 29.2877 174.5268 52 V 4.3229 8.0400 119.0537 59.6631 33.6737 174.9813 53 S 5.0715 8.4910 117.5018 55.8184 65.4696 173.5413 54 L 5.1642 8.4021 126.5904 55.1433 42.0902 177.1324 55 Q 4.5472 7.9804 117.4057 57.5414 34.2785 175.2644 56 T 4.1516 7.9364 104.7903 62.1287 69.8042 174.6952 57 A 3.9999 7.4248 126.3324 52.9138 19.1636 177.7377 58 D 4.2816 8.9155 123.0713 57.0640 40.7040 177.2302 59 P 3.9691 0.0000 0.0000 65.6522 31.4861 178.1876 60 I 3.6044 7.2706 119.9897 65.4001 36.7785 179.1383 61 T 4.1978 7.8641 115.6093 64.3170 68.0067 177.2286 62 K 4.4825 7.5320 117.2028 57.1141 32.3893 176.7163 63 L 4.7490 7.9552 119.4778 54.3875 43.7291 176.7813 64 T 4.5075 7.7923 106.5524 61.8524 69.9418 176.4472 65 A 3.9718 7.6751 126.9563 55.0872 18.6364 178.0161 66 P 4.1050 0.0000 0.0000 64.5532 31.4694 175.1875 67 Y 5.2209 7.4891 117.4776 56.9479 41.0447 175.3765 68 R 4.6986 8.9031 119.2340 58.5342 31.4196 172.8149 69 H 5.8327 8.0176 113.9099 53.0411 31.9448 172.6398 70 A 4.9550 8.3241 121.7998 51.7283 22.9254 175.9031 71 Q 4.7634 8.9321 120.6134 53.5878 32.1622 174.3941 72 I 4.0287 8.6407 126.6642 60.6120 37.8676 175.9034 73 V 4.0686 8.4593 129.0046 63.8489 32.6625 175.2455 74 E 4.6874 7.7816 118.6874 55.8064 33.6627 173.7676 75 C 5.2508 8.2282 125.3650 58.3038 35.9755 172.6189 76 K 5.2732 8.6485 121.5713 56.3064 37.3451 174.7989 77 A 4.6417 8.4192 119.1460 52.1587 22.0392 175.8461 78 I 4.7233 8.5205 115.8198 59.7451 41.1718 174.7352 79 L 4.9782 8.3540 123.0213 53.3606 43.8125 176.4646 80 T 4.3767 8.4336 115.4232 58.9999 69.3395 171.6266 81 P 5.2009 0.0000 0.0000 62.4831 32.2649 176.8773 82 T 4.0907 8.3568 115.7459 61.1273 69.4169 174.0034 83 D 4.4223 8.6457 119.8016 57.3066 41.7895 177.2007 84 L 4.2464 7.3572 119.9728 55.1913 42.9041 177.7867 85 A 4.5928 8.7232 119.1872 53.9964 17.7485 180.4078 86 V 3.6211 7.8223 115.0394 65.3789 31.6510 177.0489 87 S 4.6443 7.9442 113.0259 58.8811 64.4882 174.0036 88 N 4.9628 7.5364 117.2326 50.0977 38.5768 171.2164 89 P 4.7493 0.0000 0.0000 62.6506 32.8294 176.5107 90 L 4.5064 8.0590 119.1913 54.2778 45.7639 173.4279 91 T 5.0328 8.4955 116.6462 60.3194 70.0217 173.4205 92 V 4.7811 8.3357 127.0571 61.6291 33.5193 173.7900 93 Y 4.7908 9.2627 126.1970 56.6343 40.0121 174.8391 94 L 5.5685 8.3093 121.8431 52.1582 46.9575 175.2903 95 A 4.7716 7.6138 118.3077 51.7078 22.0500 175.1744 96 W 5.1881 8.7683 121.6760 55.3446 30.7251 176.1435 97 V 4.5924 8.8361 120.7018 59.9991 34.4440 170.7678 98 P 4.6051 0.0000 0.0000 63.0281 31.4401 175.8583 99 A 4.1320 8.8789 121.9207 55.2359 18.7020 178.3058 100 N 4.4997 7.5039 112.3639 54.1477 40.8941 169.6627 101 S 3.8840 8.7873 120.5018 57.6464 63.0930 170.6395 102 P 4.5562 0.0000 0.0000 62.9690 30.5672 176.3865 103 A 4.0537 7.8681 123.4231 53.6392 17.0358 178.2189 104 T 4.4397 7.9364 111.5350 60.2690 70.8155 174.5360 105 P 4.1525 0.0000 0.0000 66.0069 31.4909 179.0511 106 T 3.3667 7.6602 109.3951 64.8045 67.7451 175.9601 107 Q 4.1305 8.0747 119.0663 55.2729 28.4798 179.3456 108 I 3.9005 6.9394 118.4676 63.3169 38.5735 176.3296 109 L 4.0946 8.5997 125.9049 55.6104 40.3151 176.2279 110 R 4.1719 8.1624 115.3564 57.0577 30.5477 176.4258 111 V 4.3997 6.9936 116.4612 60.3999 33.3996 174.1772 112 Y 4.1021 8.6330 126.6229 59.9157 38.5671 176.4608 113 G 3.7642 8.4570 114.1947 44.9361 0.0000 172.5304 114 G 3.9060 7.5138 107.6226 46.3565 0.0000 173.6892 115 Q 4.6222 8.5724 124.6081 54.2696 32.9153 175.2989 116 S 3.9779 6.3949 110.5354 58.5719 66.4883 175.3793 117 F 4.9775 7.4806 122.7975 55.7522 43.7940 173.3363 118 V 5.0935 8.3580 118.8761 61.3058 34.4574 173.8641 119 L 5.3959 7.4587 121.8714 51.4303 45.6835 178.5326 120 G 4.0262 8.9514 107.1650 44.3829 0.0000 177.3145 121 G 3.6323 8.7597 114.0087 46.5642 0.0000 172.4980 122 A 4.2618 8.0150 122.4410 51.9173 18.9657 178.7063 123 I 3.3914 6.9179 122.9875 62.5298 33.5706 174.8568 124 S 4.5755 7.7563 113.4903 56.8390 64.0264 175.3612 125 A 4.2763 7.8665 135.0000 53.3584 25.9922 177.6731 126 A 4.1052 8.1834 118.3593 51.7184 19.9903 180.3345 127 K 3.8949 8.8351 117.5737 55.8055 30.9387 177.4680 128 T 3.2758 7.3991 109.5100 60.9866 69.7402 172.3934 129 I 3.3384 8.1686 120.2335 63.7983 37.0850 175.4060 130 E 3.4860 7.2018 120.8870 56.2919 26.9739 172.4750 131 V 4.4773 8.0847 123.3073 59.6141 32.9373 172.8005 132 P 4.6404 0.0000 0.0000 62.4837 32.5668 175.1792 133 L 4.1829 7.7256 121.9550 52.7879 43.9437 175.4126 134 N 4.4527 8.5763 125.2742 53.0739 39.3219 175.4763 135 L 4.0488 8.4331 126.0940 57.2133 41.9564 178.0219 136 D 4.8462 8.1764 117.5596 54.5400 40.5900 176.8875 137 S 4.8315 8.0103 114.2692 58.3617 65.2237 174.6301 138 V 4.2943 7.2988 113.2869 60.3178 33.8799 173.3900 139 N 5.0087 8.1679 121.1243 52.7015 41.6478 175.5965 140 R 3.9689 8.4001 123.4675 59.4851 31.5773 175.3743 141 M 4.3858 7.2862 118.1524 55.6590 29.9099 176.3401 142 L 4.1118 8.8411 126.7425 57.6271 43.3580 177.0056 143 K 4.5063 7.7546 117.6355 55.8032 35.3761 174.2332 144 D 4.8439 8.5114 125.4428 53.0726 44.3068 175.3215 145 S 3.8231 8.7900 113.9276 60.2793 62.9501 173.9699 146 V 4.1109 7.0631 119.8846 61.4012 33.2754 174.7435 147 T 4.4490 7.8879 117.8861 61.8813 68.6119 173.5670 148 Y 4.3775 8.5488 124.6062 57.3878 39.2380 176.1061 149 T 4.5174 8.5397 112.9003 61.9123 70.5855 174.2025 150 D 5.2047 7.9421 122.5919 53.9856 40.5438 176.4736 151 T 4.5048 7.9959 108.8464 61.6669 70.8083 172.1968 152 P 4.7975 0.0000 0.0000 64.2724 33.1517 176.1229 153 K 4.9031 8.8833 120.0695 54.7844 36.4695 175.4791 154 L 4.3477 8.3263 127.5892 52.7894 44.2970 175.1458 155 L 5.1480 7.9699 121.5909 53.0555 45.7690 175.4696 156 A 5.6894 8.1919 121.3522 50.9631 23.0401 174.5906 157 Y 5.6811 8.7994 119.9234 57.6711 41.8787 174.2583 158 S 5.1307 7.4149 115.3856 58.7377 69.1984 175.0838 159 R 3.7203 7.6128 124.5739 55.6643 29.3030 172.7786 160 A 3.5895 7.0594 126.3410 51.1997 17.3558 176.1562 161 P 4.9488 0.0000 0.0000 63.7250 30.8583 180.7051 162 T 4.3373 8.4720 109.1686 62.2299 66.9725 174.3171 163 N 5.0811 7.5201 122.9649 51.0706 39.3504 173.1140 164 P 4.5432 0.0000 0.0000 63.3439 32.5492 178.3085 165 S 4.4326 8.1027 112.4523 59.1640 62.3112 173.7326 166 K 3.8676 6.9874 120.0855 56.3760 32.3406 175.1202 167 I 3.6234 7.7443 118.3490 60.6908 38.7266 174.3428 168 P 4.4456 0.0000 0.0000 63.3075 31.8584 176.1757 169 T 4.4250 8.6302 107.5061 61.2228 70.2583 173.7310 170 A 4.9891 7.4044 125.4905 51.8894 21.1059 174.1942 171 S 4.6639 8.8811 106.1422 60.0582 70.0800 174.2037 172 I 3.3414 7.6459 121.6853 61.7804 33.7434 170.9743 173 Q 4.7837 8.6359 121.5555 53.8199 31.6962 174.5177 174 I 5.0817 7.9115 117.8445 59.3180 38.6395 174.8519 175 S 5.3170 7.7279 127.3051 55.9920 66.4809 172.1674 176 G 3.6015 7.9453 108.4520 45.2910 0.0000 172.9575 177 R 4.9891 8.2226 118.5852 55.1604 33.9147 171.7989 178 I 4.5561 8.3664 119.0617 61.6577 42.0452 174.1868 179 R 5.0706 8.7682 128.8821 54.8075 31.5053 173.9151 180 L 4.8095 7.9102 121.6187 53.9242 43.6313 175.2394 181 S 4.4896 7.8049 118.5902 58.1034 66.8341 171.4235 182 K 3.9328 8.3315 123.5461 53.8438 28.6854 168.9954 183 P 4.6262 0.0000 0.0000 62.5807 31.7735 176.3211 184 M 4.5597 8.3625 117.1300 54.4142 33.5742 175.9730 185 L 3.5517 7.9251 114.7824 58.3577 39.5485 176.9733 186 I 4.1471 7.2293 130.0754 59.9264 35.8553 177.7520 187 A 4.2128 8.8925 119.6600 56.5818 18.4352 177.3468 188 N 4.5872 7.8733 115.7688 53.4817 39.4061 174.3164 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 10 K 8.31 4.36 0.00 1.76 1.94 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 11 Q 8.64 3.63 0.00 2.09 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.40 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 12 A 9.39 4.71 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 13 S 7.09 4.82 0.00 3.81 3.77 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 14 I 7.30 4.58 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 1.47 0.86 0.91 0.00 0.00 15 P 0.00 4.60 0.00 2.16 2.06 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 16 A 7.25 3.69 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 17 P 0.00 4.99 0.00 2.19 1.18 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 18 G 8.98 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 19 S 8.17 4.49 0.00 3.87 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 20 I 7.89 4.62 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 1.47 0.61 0.91 0.00 0.00 21 L 7.61 4.22 0.00 1.95 1.72 1.08 0.69 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 22 S 7.91 4.66 0.00 4.01 4.06 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 0.00 0.00 0.00 23 Q 7.86 4.68 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.11 0.00 0.00 0.00 0.00 0.00 2.15 2.35 0.00 24 P 0.00 4.47 0.00 2.17 2.13 0.00 3.78 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 1.91 2.00 0.00 25 N 7.75 4.76 0.00 2.65 2.86 0.00 0.00 6.62 7.54 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 26 T 7.49 4.14 4.22 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 1.04 0.00 0.00 27 E 8.84 3.98 0.00 2.09 1.89 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 2.35 2.27 0.00 28 Q 8.16 4.76 0.00 2.28 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 29 S 8.86 4.25 0.00 3.94 3.93 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 0.00 0.00 0.00 30 P 0.00 4.15 0.00 2.06 2.09 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 31 A 7.82 4.26 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 32 I 8.01 4.17 1.84 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 1.23 1.17 0.91 0.00 0.00 33 V 8.50 3.68 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 0.75 0.00 0.00 0.91 0.00 0.00 34 L 8.84 4.68 0.00 1.68 1.69 1.00 1.13 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 35 P 0.00 4.70 0.00 2.00 1.98 0.00 3.84 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 36 F 8.11 5.09 0.00 3.38 3.25 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 37 Q 8.62 5.07 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 38 F 8.39 4.71 0.00 3.09 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 39 E 8.87 4.99 0.00 1.65 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 2.21 1.69 0.00 40 A 8.59 4.52 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 41 T 7.33 4.67 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 1.23 0.00 0.00 42 T 8.38 4.78 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 1.31 0.00 0.00 *43 F 8.18 4.68 0.00 2.17 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 0.00 0.00 0.00 0.00 44 G 8.31 4.84 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 0.00 0.00 0.00 45 T 7.38 4.70 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 1.33 0.00 0.00 46 A 7.27 4.26 1.18 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 0.00 0.00 47 E 8.93 4.69 0.00 1.96 1.89 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 2.29 2.18 0.00 48 T 8.07 3.87 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 49 A 7.93 5.94 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 50 A 7.68 4.72 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 51 Q 8.72 4.69 0.00 1.81 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.80 0.00 0.00 0.00 0.00 0.00 2.17 1.92 0.00 52 V 8.04 4.32 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 0.76 0.00 0.00 0.94 0.00 0.00 53 S 8.49 5.07 0.00 3.96 3.74 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 54 L 8.40 5.16 0.00 1.94 1.74 1.03 0.83 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 55 Q 7.98 4.55 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 56 T 7.94 4.15 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 1.24 0.00 0.00 57 A 7.42 4.00 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 58 D 8.92 4.28 0.00 2.59 2.62 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 59 P 0.00 3.97 0.00 0.65 1.55 0.00 2.99 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.65 0.00 60 I 7.27 3.60 1.72 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 0.92 0.39 0.69 0.00 0.00 61 T 7.86 4.20 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 62 K 7.53 4.48 0.00 1.85 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0.92 0.00 0.00 79 L 8.35 4.98 0.00 1.45 1.61 1.13 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.43 4.38 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 1.19 0.00 0.00 81 P 0.00 5.20 0.00 1.94 2.05 0.00 3.70 0.00 0.00 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.90 0.00 82 T 8.36 4.09 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 83 D 8.65 4.42 0.00 2.63 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 84 L 7.36 4.25 0.00 1.84 1.57 0.92 0.69 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 85 A 8.72 4.59 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 86 V 7.82 3.62 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.04 0.00 0.00 87 S 7.94 4.64 0.00 3.88 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0.00 0.00 0.00 0.00 104 T 7.94 4.44 4.18 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 1.24 0.00 0.00 105 P 0.00 4.15 0.00 2.10 2.37 0.00 3.53 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 106 T 7.66 3.37 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 0.82 0.00 0.00 107 Q 8.07 4.13 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 108 I 6.94 3.90 1.99 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 1.45 1.27 0.90 0.00 0.00 109 L 8.60 4.09 0.00 1.90 1.87 1.14 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.16 4.17 0.00 2.03 1.98 0.00 3.11 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 111 V 6.99 4.40 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.01 0.00 0.00 112 Y 8.63 4.10 0.00 2.92 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 0.00 113 G 8.46 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 0.00 114 G 7.51 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 0.00 0.00 0.00 115 Q 8.57 4.62 0.00 1.88 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 116 S 6.39 3.98 0.00 3.26 3.21 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 0.00 117 F 7.48 4.98 0.00 2.93 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 0.00 118 V 8.36 5.09 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 0.82 0.00 0.00 0.94 0.00 0.00 119 L 7.46 5.40 0.00 1.56 1.50 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 120 G 8.95 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 0.00 121 G 8.76 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 4.26 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 0.00 123 I 6.92 3.39 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.80 0.87 0.00 0.00 124 S 7.76 4.58 0.00 3.89 4.06 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 0.00 0.00 0.00 125 A 7.87 4.28 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.18 4.11 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 0.00 127 K 8.84 3.89 0.00 1.89 1.95 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.38 7.81 128 T 7.40 3.28 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 129 I 8.17 3.34 1.65 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 -0.36 0.37 0.00 0.00 130 E 7.20 3.49 0.00 2.06 1.91 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 2.21 2.19 0.00 131 V 8.08 4.48 2.39 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 1.15 0.00 0.00 1.07 0.00 0.00 132 P 0.00 4.64 0.00 2.10 2.05 0.00 3.83 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 2.02 1.98 0.00 133 L 7.73 4.18 0.00 0.27 0.97 0.32 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.58 4.45 0.00 2.79 2.71 0.00 0.00 7.21 6.66 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 0.00 135 L 8.43 4.05 0.00 1.70 1.64 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 136 D 8.18 4.85 0.00 2.84 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 0.00 137 S 8.01 4.83 0.00 3.93 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 0.00 138 V 7.30 4.29 2.24 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 0.73 0.00 0.00 0.84 0.00 0.00 139 N 8.17 5.01 0.00 3.12 2.58 0.00 0.00 7.13 7.00 0.00 0.00 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 R 8.40 3.97 0.00 1.71 1.88 0.00 3.15 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 141 M 7.29 4.39 0.00 1.34 1.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 142 L 8.84 4.11 0.00 1.61 1.67 0.94 0.84 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 0.00 143 K 7.75 4.51 0.00 1.85 1.60 0.00 1.81 0.00 0.00 1.91 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.44 7.81 144 D 8.51 4.84 0.00 2.89 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 8.79 3.82 0.00 4.04 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 0.00 146 V 7.06 4.11 1.61 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 0.64 0.00 0.00 0.89 0.00 0.00 147 T 7.89 4.45 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 1.23 0.00 0.00 148 Y 8.55 4.38 0.00 2.94 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 0.00 149 T 8.54 4.52 4.28 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 1.23 0.00 0.00 150 D 7.94 5.20 0.00 2.80 2.98 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 0.00 0.00 0.00 151 T 8.00 4.50 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 152 P 0.00 4.80 0.00 2.14 1.84 0.00 3.65 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 153 K 8.88 4.90 0.00 1.42 1.61 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.21 1.19 7.81 154 L 8.33 4.35 0.00 0.30 1.11 -0.37 0.18 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 0.00 155 L 7.97 5.15 0.00 1.50 1.46 0.95 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 156 A 8.19 5.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 Y 8.80 5.68 0.00 2.87 2.48 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 0.00 0.00 0.00 0.00 158 S 7.41 5.13 0.00 3.92 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 0.00 159 R 7.61 3.72 0.00 1.68 1.81 0.00 3.47 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 160 A 7.06 3.59 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 0.00 161 P 0.00 4.95 0.00 2.18 1.20 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.98 0.00 162 T 8.47 4.34 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 0.00 163 N 7.52 5.08 0.00 2.76 2.69 0.00 0.00 6.73 8.03 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 0.00 164 P 0.00 4.54 0.00 2.21 2.25 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 165 S 8.10 4.43 0.00 3.88 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 0.00 166 K 6.99 3.87 0.00 1.92 1.75 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.36 7.81 167 I 7.74 3.62 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 1.47 0.93 0.96 0.00 0.00 168 P 0.00 4.45 0.00 2.38 2.04 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 169 T 8.63 4.42 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 170 A 7.40 4.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 S 8.88 4.66 0.00 3.98 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 0.00 172 I 7.65 3.34 2.14 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 1.42 0.57 0.87 0.00 0.00 173 Q 8.64 4.78 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 174 I 7.91 5.08 1.97 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 0.93 0.04 1.13 0.00 0.00 175 S 7.73 5.32 0.00 3.67 3.88 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 0.00 0.00 0.00 176 G 7.95 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 0.00 177 R 8.22 4.99 0.00 1.48 1.76 0.00 3.30 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 178 I 8.37 4.56 2.11 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.38 1.16 0.00 0.00 179 R 8.77 5.07 0.00 1.53 1.77 0.00 3.26 0.00 0.00 3.31 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.28 0.00 180 L 7.91 4.81 0.00 0.33 1.26 0.34 0.48 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 0.00 181 S 7.80 4.49 0.00 3.84 3.75 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 0.00 182 K 8.33 3.93 0.00 2.04 1.78 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.28 1.26 7.81 183 P 0.00 4.63 0.00 2.02 1.99 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 184 M 8.36 4.56 0.00 1.94 2.05 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 2.48 2.57 0.00 185 L 7.93 3.55 0.00 1.81 1.72 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 186 I 7.23 4.15 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 1.35 0.69 0.91 0.00 0.00 187 A 8.89 4.21 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 0.00 188 N 7.87 4.59 0.00 2.64 2.65 0.00 0.00 6.73 7.56 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 * Residues marked with a * may have inaccurate shift predictions.