NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4296 8.1927 115.3053 57.7785 63.8747 173.7762 3 L 3.4997 8.6317 129.6105 57.7131 41.8389 177.8403 4 R 3.2739 8.7223 119.3036 59.8550 30.3275 176.8835 5 S 4.2011 8.0455 115.3855 60.7348 62.4897 175.5900 6 D 4.3855 8.1781 125.3400 57.6852 41.0518 178.7141 7 L 3.9776 7.9084 120.2862 58.1705 42.1774 178.4909 8 I 3.9323 7.8764 119.1929 63.4398 37.2740 175.9042 9 N 4.1450 7.6656 118.1093 54.1874 38.0144 174.5299 *18 Y 4.9007 8.2026 122.2062 57.9359 39.5214 175.5165 19 D 5.0220 8.1042 119.5124 53.2912 40.0814 177.5910 20 V 3.9833 7.9360 116.0565 62.7322 32.5978 178.2016 21 C 4.6785 8.4499 115.9808 56.0770 29.2715 172.8473 22 G 4.2804 7.5547 103.8876 44.3838 0.0000 172.7518 23 I 4.5062 8.4919 121.4696 59.4689 39.3810 175.0675 24 I 4.8620 8.3732 126.1635 59.7429 39.9946 174.5339 25 S 4.7685 8.3119 121.8212 56.6592 64.2506 174.1875 26 A 4.0873 8.7268 126.3375 56.0431 18.1973 179.6910 27 E 4.4268 8.1263 108.3375 56.2425 29.6037 178.5618 28 G 4.1525 7.8107 108.0656 46.1615 0.0000 175.0337 29 K 4.1598 7.9903 119.3201 56.8482 33.1372 175.9955 30 I 4.9529 8.4223 125.3450 59.8104 40.1288 174.2986 31 Y 4.9548 8.9914 124.2012 55.2527 40.1357 173.6596 32 P 4.4351 0.0000 0.0000 62.8470 31.8507 178.5904 33 L 4.1407 8.0167 122.5790 54.8089 41.9171 177.7972 *41 S 4.3879 8.5248 117.5955 59.0483 64.0362 174.9357 42 T 5.4455 7.0517 112.7344 62.5163 70.9087 175.9738 43 I 3.5037 7.3183 121.9760 63.8286 37.0237 178.0505 44 F 4.2048 7.5857 118.3404 60.3871 38.6490 177.4139 45 E 4.0536 7.9291 117.8902 59.0142 29.2607 178.3691 46 L 3.9153 7.6599 119.4451 58.6901 41.9797 179.0621 47 F 4.8356 8.7308 117.7079 60.8788 38.7962 177.5672 48 S 4.2277 8.2376 114.9886 61.1707 62.7028 176.2891 49 R 3.9196 8.4946 121.5096 59.3085 30.0058 176.6067 50 P 4.3190 0.0000 0.0000 66.1978 31.1759 178.3324 51 I 3.7706 7.3624 116.3931 63.8996 36.9210 178.2831 52 I 3.5896 7.6828 120.7498 64.5132 36.8466 177.9685 53 N 4.3926 8.2314 119.3837 56.8985 38.3945 177.7660 54 K 3.9324 7.9723 124.7576 60.5061 31.4377 181.0856 55 I 3.9696 7.8284 120.5430 63.8931 36.9369 178.6066 56 A 4.0983 8.4630 124.6143 55.9473 18.3661 180.2357 57 E 4.0895 9.0298 117.2204 60.7669 29.6400 180.6552 58 K 4.3474 8.2427 118.1952 58.7874 32.2656 176.7282 59 H 4.8402 7.4284 113.0763 55.0774 30.1928 173.6314 60 G 3.7826 8.0675 107.1454 46.6770 0.0000 173.1222 61 Y 4.4316 8.4290 116.8646 56.3328 39.7342 175.4967 62 I 4.0895 9.3193 124.5061 60.2665 38.7524 174.7916 63 V 4.9148 8.3254 127.0399 61.4112 33.1884 174.4812 64 E 4.8708 9.5234 127.9286 54.6389 33.2625 173.8154 65 E 5.0771 8.5000 124.0737 52.6430 32.8970 174.1686 66 P 4.2233 0.0000 0.0000 63.4065 31.9113 177.8507 67 K 4.1245 8.6224 125.9470 56.5439 32.2584 175.8989 68 Q 4.6649 7.5886 116.8255 53.7970 30.9704 181.0252 69 Q 4.2801 8.5669 121.8517 55.6445 29.5586 174.8851 70 N 4.3795 8.6296 108.4383 55.5656 34.8747 169.8019 71 H 5.1372 7.9664 113.8575 54.6151 32.9172 172.5498 72 Y 4.6787 8.5434 124.1243 55.6031 40.6612 173.4278 73 P 4.5277 0.0000 0.0000 60.9722 33.1542 174.9508 74 D 4.4997 8.3428 118.5383 57.0293 41.8337 177.3034 75 F 5.3332 8.6549 116.4781 56.0773 43.1523 174.1987 76 T 5.2908 9.4304 120.2997 62.0705 71.2962 173.6424 77 L 5.9762 9.1278 124.3688 52.4493 45.1789 175.1093 78 Y 5.0938 8.0909 118.8374 56.2818 41.1263 173.5676 79 K 3.9205 8.2640 120.4188 54.7516 33.3389 176.4128 80 P 4.3618 0.0000 0.0000 65.6167 31.4754 178.0686 81 S 4.1898 8.1180 112.3413 60.4621 63.1050 173.6318 82 E 4.5894 7.5529 119.1463 53.1168 30.9172 173.7806 83 P 4.6170 0.0000 0.0000 62.4511 31.7883 174.3779 84 N 4.8873 8.0052 116.7763 53.7016 39.2904 176.0907 85 K 4.6608 7.3685 119.1532 53.8936 31.7386 178.6238 86 K 4.5875 8.2413 122.9188 56.1278 34.6429 177.4758 87 I 4.8423 8.6630 121.3090 59.4530 40.8700 174.6358 88 A 5.2834 8.7387 127.6805 50.2473 21.9255 175.3026 89 I 5.2132 8.7802 121.7088 59.6027 41.7701 174.1635 90 D 5.3522 8.7851 124.6034 52.8177 44.5737 173.9724 91 I 4.9831 9.1093 127.1726 60.2883 38.5112 175.3577 92 K 4.9742 9.1303 125.5136 55.0708 36.1079 175.2056 93 T 5.4573 8.5948 116.9841 62.8500 72.6209 173.1516 94 T 4.4541 9.2964 118.7740 61.3599 71.2905 171.5614 95 Y 4.9864 7.1764 122.1586 55.7136 41.5042 175.1399 96 T 4.1543 9.2790 112.7929 62.6473 71.1545 177.2599 *99 E 4.2746 9.3334 120.7936 56.3256 30.3355 173.9958 100 N 4.2158 9.0740 126.8477 53.1856 34.7006 174.0796 101 E 4.8159 7.8976 117.8784 54.5826 35.1797 178.4557 102 K 4.1997 8.3991 116.6036 56.8391 30.7109 174.8424 *104 K 4.5661 8.4354 120.7567 56.7891 32.8327 172.7821 105 F 5.0109 9.3759 119.9391 56.0318 43.7363 173.9677 106 T 4.8727 8.6862 115.9137 61.0106 70.1913 173.7596 107 L 4.7932 8.7513 132.7874 54.8945 42.4486 179.6835 108 G 4.1958 8.7300 119.9590 46.4150 0.0000 170.7577 109 G 4.3856 8.5873 110.2204 44.0252 0.0000 172.5596 110 Y 4.4853 8.4670 120.3551 56.7533 38.3290 175.9379 111 T 4.4003 7.2088 110.6752 62.2454 72.0281 175.6945 112 S 4.6850 7.3587 124.8625 57.6196 61.8340 177.1055 113 F 4.9496 9.2515 111.5224 59.7677 37.6947 178.1041 114 I 2.7118 6.3510 122.8130 63.8314 37.9213 177.4396 115 R 3.9645 7.5857 119.2880 58.2104 29.9392 178.1023 116 N 4.8931 8.3289 114.6569 50.9389 40.0564 178.1663 117 N 4.3375 8.0915 126.1474 56.9852 39.8977 176.4303 118 T 4.6680 7.9244 109.3268 60.5887 70.3716 177.6419 119 K 4.2424 8.0373 124.3726 56.1813 32.4012 181.6529 120 N 4.0208 8.9681 119.5841 52.7798 36.3561 173.1048 121 I 4.6594 7.4006 117.0806 58.7141 40.0987 175.7746 122 V 3.6106 9.1313 127.7728 65.5798 31.5486 175.7113 123 Y 4.9852 7.4409 114.4912 55.0347 42.1083 173.0951 124 P 4.4652 0.0000 0.0000 63.1084 32.3291 177.2197 125 F 4.3532 9.1737 124.8405 61.6794 39.3560 176.3175 126 D 4.7711 7.8700 117.0512 54.0304 39.2980 176.7233 127 Q 4.1252 8.7101 120.2852 56.9826 29.4895 174.7866 128 Y 4.5441 7.7103 116.1018 56.9101 37.8753 175.2013 129 I 4.2985 8.0403 118.3722 61.0646 38.6398 175.6253 130 A 4.4557 7.1735 123.2687 51.4053 22.6992 175.3045 131 H 5.0622 8.6455 117.3709 54.1393 32.0495 172.6770 132 W 5.5648 9.0892 123.9205 55.2039 32.2834 175.5290 133 I 4.8396 9.3723 122.8447 59.8240 40.0991 174.5589 134 I 4.5496 8.6357 128.5346 59.6383 38.9840 175.1510 135 G 3.7289 8.2134 114.1878 44.1377 0.0000 171.0362 136 Y 4.8825 8.8010 119.1788 55.7692 41.3285 175.1672 137 V 5.4468 8.8342 122.6525 60.6333 35.2720 173.7253 138 Y 5.6579 7.8801 124.3423 54.9420 42.5265 173.2365 139 T 5.0648 9.4237 117.9991 62.3234 71.2820 174.9766 140 R 3.8611 9.2972 130.1210 58.5671 28.9446 174.0976 141 V 3.6314 8.3055 125.9963 62.1890 30.9971 173.6181 *149 K 3.9641 8.0875 120.4485 56.4415 33.7170 175.5822 150 T 4.3881 8.0934 119.6558 62.3162 68.7289 172.2546 151 Y 4.8178 8.7982 122.2779 56.2865 43.1389 173.3276 152 N 5.1860 8.4607 116.1455 50.5123 41.2272 175.3051 153 I 3.6959 8.4705 117.6769 64.4642 37.6340 177.2625 154 N 4.5667 8.4520 118.2960 56.1231 38.7521 176.6904 155 E 4.4774 8.1087 118.3398 58.5796 29.9587 181.7917 156 L 3.8748 7.7944 117.7258 60.7402 41.6882 177.8998 157 N 4.3231 7.9649 116.6166 54.8280 38.6598 176.1597 158 E 4.6969 8.1002 110.9257 54.8202 31.9864 179.8945 159 I 3.1518 7.4638 119.3444 61.1922 37.4535 174.4540 160 P 4.4122 0.0000 0.0000 61.7717 30.6002 176.5680 161 K 3.9360 8.3835 125.8115 54.6123 31.9187 172.3367 162 P 4.8319 0.0000 0.0000 63.0057 32.6505 175.0274 *163 Y 5.0728 7.5463 122.0629 56.8211 40.8894 179.8218 164 K 4.5695 8.7573 125.1743 52.6872 36.9860 174.9270 165 G 3.9090 8.3631 106.0613 47.3704 0.0000 174.2062 166 V 4.4693 7.6528 116.7262 62.7446 32.6967 176.1667 167 K 4.7571 9.3442 127.7849 54.4751 35.5305 175.6680 168 V 4.7243 8.0865 121.1375 59.9706 34.6658 174.3427 169 F 5.0365 8.1269 116.2467 55.1359 41.9094 173.2202 170 L 5.2292 8.6414 121.6754 53.6168 43.8822 175.0892 171 Q 4.5503 9.2525 126.9798 54.1686 33.2247 173.8530 172 D 5.1271 8.5442 123.4513 54.0840 42.0657 177.2998 173 K 3.8881 9.6870 125.4660 59.7012 31.9408 179.3148 174 W 3.2768 7.9101 114.8527 59.0486 28.2926 178.0927 175 V 2.5483 6.4551 118.5701 65.0899 30.8467 177.7732 176 I 3.4447 7.1341 119.4311 62.4176 37.2812 176.2607 177 A 4.4153 7.1531 121.3559 52.8116 18.6641 177.3852 178 G 4.1161 8.9492 111.8817 44.5220 0.0000 173.2988 179 D 4.5151 8.6362 119.5001 53.2649 39.9562 176.5868 180 L 4.9228 7.8748 119.7415 52.4046 44.3567 181.0495 181 A 4.9786 8.8475 125.6361 50.8558 19.7092 177.4689 182 G 3.8102 8.6566 109.9494 49.6552 0.0000 174.4566 *188 N 4.8827 7.8475 118.8517 52.1794 39.8453 174.8997 189 I 3.1081 8.3664 124.2606 59.2890 39.4948 175.4769 190 G 4.3902 8.4772 116.2908 45.5976 0.0000 172.9028 191 S 5.2271 8.0366 115.5820 56.4735 65.6893 173.7363 192 I 4.0904 8.1776 115.6669 61.8223 38.5352 176.5598 *193 H 4.8488 8.7571 120.3988 53.0938 28.5635 174.0370 194 A 4.5837 8.2962 129.3102 50.7937 21.8159 174.5313 195 H 5.0071 8.1513 110.3201 54.6773 30.7813 175.7207 196 Y 4.4734 9.0541 124.9455 61.8948 38.3554 179.7721 197 K 3.7869 8.1556 123.9976 59.5118 31.8927 182.8964 198 D 4.4673 8.2847 119.2428 57.4714 40.6786 178.5740 199 F 3.3490 7.9070 118.0414 60.1856 38.7314 177.5813 200 V 3.4496 7.0985 117.5154 65.4331 31.3285 177.2045 201 E 4.2391 7.7918 116.4288 55.5463 31.2412 175.6314 202 G 3.3264 7.8682 108.1520 46.7723 0.0000 175.0265 203 K 4.5522 7.6277 118.2194 53.4508 33.3374 178.1934 204 G 4.0152 7.5563 116.7128 45.1091 0.0000 173.0950 205 I 4.2984 8.0083 111.5328 60.7780 39.7208 176.2967 206 F 4.6618 8.0997 121.5500 57.9623 39.4849 175.8199 207 D 4.8339 9.8802 122.5953 54.8051 40.3304 176.7272 208 S 4.1842 7.7040 109.9242 56.3025 66.4961 174.2614 209 E 2.9502 7.1799 128.3352 59.7849 29.4976 179.3587 210 D 4.3397 7.7312 120.5786 58.3908 39.7754 179.8790 211 E 4.1290 7.7208 120.4052 59.0215 29.6948 178.5503 212 F 2.8522 8.3396 121.0025 61.1447 39.2246 177.1479 213 L 3.5390 7.9580 117.3345 57.4064 41.4131 178.7569 214 D 4.3544 7.6003 116.8965 57.6268 41.3095 177.3320 215 Y 3.7788 7.6581 118.4327 59.7211 39.1626 177.0110 216 W 4.6540 7.6193 119.0400 56.5940 29.9514 176.6106 217 R 4.1252 7.6983 122.5512 56.5851 29.6941 176.9770 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 S 8.19 4.43 0.00 3.91 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 3 L 8.63 3.50 0.00 1.68 1.79 0.56 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.72 3.27 0.00 1.50 1.66 0.00 2.79 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.00 5 S 8.05 4.20 0.00 4.03 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 6 D 8.18 4.39 0.00 2.73 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 7 L 7.91 3.98 0.00 1.71 1.57 0.86 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.88 3.93 1.87 0.00 0.00 0.64 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 0.50 0.83 0.00 0.00 9 N 7.67 4.14 0.00 2.84 2.79 0.00 0.00 7.09 6.90 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 *18 Y 8.20 4.90 0.00 3.11 3.30 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 19 D 8.10 5.02 0.00 2.79 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 20 V 7.94 3.98 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 0.93 0.00 0.00 21 C 8.45 4.68 0.00 2.93 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 22 G 7.55 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 0.00 0.00 0.00 0.00 23 I 8.49 4.51 1.92 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 1.10 0.98 0.88 0.00 0.00 24 I 8.37 4.86 1.91 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 1.28 0.88 0.94 0.00 0.00 25 S 8.31 4.77 0.00 4.36 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 26 A 8.73 4.09 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 27 E 8.13 4.43 0.00 2.00 1.84 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 2.23 1.87 0.00 28 G 7.81 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 0.00 0.00 0.00 0.00 29 K 7.99 4.16 0.00 1.65 1.35 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.51 1.43 7.81 30 I 8.42 4.95 1.90 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 1.26 0.87 0.95 0.00 0.00 31 Y 8.99 4.95 0.00 2.88 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 32 P 0.00 4.44 0.00 2.02 1.84 0.00 3.92 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.31 0.00 33 L 8.02 4.14 0.00 1.55 1.50 0.86 0.72 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 *41 S 8.52 4.39 0.00 3.94 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 42 T 7.05 5.45 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 1.14 0.00 0.00 43 I 7.32 3.50 1.40 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.60 0.27 0.00 0.00 44 F 7.59 4.20 0.00 2.64 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 0.00 0.00 0.00 45 E 7.93 4.05 0.00 2.21 2.10 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 2.47 2.51 0.00 46 L 7.66 3.92 0.00 1.64 1.67 0.75 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.73 4.84 0.00 3.53 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 48 S 8.24 4.23 0.00 4.11 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 49 R 8.49 3.92 0.00 2.20 2.12 0.00 3.22 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.10 0.00 50 P 0.00 4.32 0.00 2.36 2.38 0.00 3.87 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.20 0.00 51 I 7.36 3.77 2.04 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 1.53 0.87 0.91 0.00 0.00 52 I 7.68 3.59 1.62 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.62 0.67 0.00 0.00 53 N 8.23 4.39 0.00 2.97 2.91 0.00 0.00 7.15 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 54 K 7.97 3.93 0.00 1.78 1.85 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.39 7.81 55 I 7.83 3.97 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 1.44 0.55 0.94 0.00 0.00 56 A 8.46 4.10 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 57 E 9.03 4.09 0.00 1.95 1.97 0.00 0.00 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 0.00 0.00 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 Y 8.80 4.88 0.00 2.90 2.37 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 0.00 137 V 8.83 5.45 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.95 0.00 0.00 138 Y 7.88 5.66 0.00 3.35 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 0.00 139 T 9.42 5.06 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 1.33 0.00 0.00 140 R 9.30 3.86 0.00 1.56 1.78 0.00 3.26 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 141 V 8.31 3.63 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 0.93 0.00 0.00 *149 K 8.09 3.96 0.00 1.72 1.74 0.00 1.52 0.00 0.00 1.46 0.00 0.00 2.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.34 7.81 150 T 8.09 4.39 3.89 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 1.05 0.00 0.00 151 Y 8.80 4.82 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 0.00 152 N 8.46 5.19 0.00 2.72 2.87 0.00 0.00 5.58 7.85 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 0.00 153 I 8.47 3.70 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 1.65 1.20 0.92 0.00 0.00 154 N 8.45 4.57 0.00 2.74 2.87 0.00 0.00 6.76 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 0.00 155 E 8.11 4.48 0.00 1.99 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 2.21 2.18 0.00 156 L 7.79 3.87 0.00 1.97 1.55 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 157 N 7.96 4.32 0.00 2.72 2.79 0.00 0.00 6.59 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 0.00 158 E 8.10 4.70 0.00 1.98 1.77 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 2.14 2.10 0.00 159 I 7.46 3.15 1.60 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.92 0.36 0.00 0.00 160 P 0.00 4.41 0.00 2.14 2.09 0.00 3.35 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 1.89 1.99 0.00 161 K 8.38 3.94 0.00 1.80 1.65 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.01 7.81 162 P 0.00 4.83 0.00 1.97 2.20 0.00 3.52 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 1.80 1.81 0.00 *163 Y 7.55 5.07 0.00 2.06 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 0.00 0.00 0.00 164 K 8.76 4.57 0.00 1.40 1.62 0.00 1.93 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.26 1.24 7.81 165 G 8.36 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 0.00 166 V 7.65 4.47 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 0.71 0.00 0.00 1.28 0.00 0.00 167 K 9.34 4.76 0.00 1.02 0.74 0.00 1.20 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.95 1.08 7.81 168 V 8.09 4.72 1.12 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 0.60 0.00 0.00 0.12 0.00 0.00 169 F 8.13 5.04 0.00 3.05 3.23 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 0.00 170 L 8.64 5.23 0.00 1.49 1.45 0.87 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 171 Q 9.25 4.55 0.00 2.01 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.76 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 172 D 8.54 5.13 0.00 2.56 2.57 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 0.00 173 K 9.69 3.89 0.00 2.10 1.94 0.00 1.86 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.57 7.81 174 W 7.91 3.28 0.00 3.25 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 0.00 175 V 6.46 2.55 1.59 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 0.54 0.00 0.00 -0.57 0.00 0.00 176 I 7.13 3.44 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.32 1.00 0.00 0.00 177 A 7.15 4.42 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 G 8.95 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 0.00 179 D 8.64 4.52 0.00 2.42 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 0.00 0.00 0.00 0.00 180 L 7.87 4.92 0.00 1.54 1.51 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 181 A 8.85 4.98 1.56 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 0.00 0.00 182 G 8.66 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 0.00 0.00 0.00 *188 N 7.85 4.88 0.00 2.46 2.76 0.00 0.00 6.40 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 0.00 189 I 8.37 3.11 0.56 0.00 0.00 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 0.83 0.35 0.66 0.00 0.00 190 G 8.48 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 0.00 191 S 8.04 5.23 0.00 4.31 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 0.00 192 I 8.18 4.09 1.74 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.34 0.84 0.00 0.00 *193 H 8.76 4.85 0.00 2.93 2.91 0.00 7.15 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 A 8.30 4.58 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 0.00 195 H 8.15 5.01 0.00 3.39 3.30 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 Y 9.05 4.47 0.00 3.05 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 0.00 197 K 8.16 3.79 0.00 1.80 1.80 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.09 7.81 198 D 8.28 4.47 0.00 2.75 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 0.00 199 F 7.91 3.35 0.00 2.88 1.51 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 0.00 200 V 7.10 3.45 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 0.79 0.00 0.00 0.17 0.00 0.00 201 E 7.79 4.24 0.00 1.95 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 2.18 2.28 0.00 202 G 7.87 3.33 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 0.00 203 K 7.63 4.55 0.00 1.75 1.61 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.21 7.81 204 G 7.56 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 0.00 205 I 8.01 4.30 1.64 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.60 0.74 0.00 0.00 206 F 8.10 4.66 0.00 3.48 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 D 9.88 4.83 0.00 2.65 2.57 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 0.00 208 S 7.70 4.18 0.00 3.76 3.65 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 0.00 209 E 7.18 2.95 0.00 1.16 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.07 0.00 210 D 7.73 4.34 0.00 2.72 2.67 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 0.00 211 E 7.72 4.13 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 212 F 8.34 2.85 0.00 2.99 3.27 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 0.00 213 L 7.96 3.54 0.00 1.61 1.67 1.17 1.00 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 0.00 214 D 7.60 4.35 0.00 2.77 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 0.00 215 Y 7.66 3.78 0.00 3.05 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 W 7.62 4.65 0.00 2.80 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 0.00 217 R 7.70 4.13 0.00 1.70 1.78 0.00 3.31 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.47 0.00 * Residues marked with a * may have inaccurate shift predictions.