NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 E 4.1294 8.5445 116.7537 56.1642 30.1771 176.3748 11 E 3.7398 8.7028 123.4104 54.0166 29.0490 169.1836 12 E 4.7155 8.7520 113.2234 56.0732 33.8778 173.7135 *13 F 4.9392 8.4902 120.6834 53.9749 41.7820 171.6647 14 E 4.9501 8.1975 115.3524 56.4834 34.0347 174.9582 15 T 5.2694 8.4876 115.6475 60.1824 71.1780 172.8926 16 I 3.7160 8.6691 129.9428 61.8537 37.0543 175.0377 17 E 4.3106 8.4278 128.3531 57.6783 30.5030 175.8803 18 R 4.4799 7.0632 117.7303 54.9408 33.7509 173.8063 19 F 4.2846 8.3144 122.9772 56.3676 40.2053 174.1591 *21 D 4.8108 8.5836 118.9777 54.6712 42.6183 173.4458 22 C 5.3091 8.7505 115.1502 57.2050 33.1302 172.9024 23 R 4.5888 9.1600 116.4245 55.8146 33.1717 172.9878 24 I 4.5550 8.0484 119.7292 59.6365 38.9074 175.7329 25 G 3.4743 8.3296 112.8236 42.6754 0.0000 171.7523 26 R 4.2421 8.2039 120.3460 55.8371 30.5734 176.1857 27 K 4.2165 7.9887 123.4580 57.5502 32.4160 177.5491 28 G 3.8681 9.0941 110.7272 45.6122 0.0000 173.7352 29 A 4.3989 7.7349 125.0170 50.2268 17.2790 176.7633 30 T 4.5670 7.3351 110.4631 60.8282 72.3569 171.0426 31 G 3.6306 9.1141 118.8580 45.0524 0.0000 173.7846 32 A 3.6967 8.7304 126.1359 52.5970 16.7324 177.1381 33 T 4.5833 7.8519 102.9943 61.2736 69.5951 174.5450 34 T 4.5310 7.6497 110.3932 61.6507 70.2361 175.0627 35 T 4.2220 7.6440 115.9009 60.9090 70.7291 175.1796 36 I 3.9012 8.3170 117.7933 64.3927 37.5664 177.9564 37 Y 4.7028 7.9955 119.9845 58.9975 37.9084 177.6908 38 A 4.0465 7.1312 123.0204 54.8142 18.5805 179.6266 39 V 4.0276 8.1344 118.4125 65.8251 31.4846 178.1610 40 E 3.9527 8.7099 118.4890 59.1439 29.0128 179.2750 41 A 4.0874 7.6919 119.5694 54.5363 18.8654 178.4808 42 D 4.8887 8.8533 114.5676 52.2258 43.2054 175.6568 43 G 3.7425 7.7193 105.9821 44.4465 0.0000 172.3221 44 D 4.7812 8.4369 118.1105 51.7541 41.1912 175.0754 45 P 3.9823 0.0000 0.0000 64.7782 31.7025 176.6402 46 N 4.7137 8.1629 114.8556 52.8128 39.3000 175.5624 47 A 3.9763 8.9666 121.5656 56.1015 18.5504 179.5241 48 G 3.7968 8.2038 102.8132 48.3871 0.0000 174.1139 49 F 4.2449 7.7366 120.5673 57.8134 39.6323 174.0247 50 E 4.2483 7.3437 127.7160 54.9519 33.7309 180.2641 51 K 3.1911 8.4018 121.6874 56.4775 32.1726 176.5445 *53 K 4.3643 8.6203 123.7017 54.6930 34.6301 177.7505 54 E 4.6672 7.4010 113.1706 54.6005 31.9728 172.4645 55 P 4.3011 0.0000 0.0000 62.9071 31.8414 175.8355 56 G 4.3587 8.2892 107.0403 44.0182 0.0000 172.2614 57 E 4.5448 8.0595 121.0305 54.4695 33.2547 174.3263 58 I 4.1042 8.4426 128.6352 61.5188 37.7803 175.4690 59 Q 4.7973 9.3575 125.9938 54.1962 32.7706 173.8834 60 Y 5.0871 9.4239 121.1226 56.0833 40.7019 174.8320 61 L 3.5802 9.2484 127.3453 54.4527 43.1090 175.9438 62 I 4.0049 7.9206 126.2947 59.0187 40.5241 174.1971 63 K 4.9912 7.9685 128.1580 54.0495 33.5039 175.3928 64 W 4.9547 8.4064 127.1822 55.1781 31.3339 175.7698 65 K 4.2276 8.8279 124.9932 57.7074 32.0763 177.5888 66 G 3.8980 9.2605 113.9622 45.0870 0.0000 172.9327 67 W 4.9470 7.7430 118.9587 54.3490 32.6225 175.5884 68 S 4.3074 8.7187 116.4554 57.9471 63.5392 174.7110 69 H 4.1145 8.4040 118.2380 58.8555 28.4995 177.9259 70 I 3.9718 6.5894 110.9929 63.1455 37.3495 176.4082 71 H 4.9000 8.2155 116.9554 55.8343 28.6711 175.0552 72 N 5.1028 8.3508 118.8475 53.3563 39.5950 174.2005 73 T 4.6977 8.1249 110.9151 59.7524 73.0238 172.8965 74 W 4.8248 8.6461 123.0484 56.8269 30.6867 175.2643 75 E 5.1128 9.4837 121.5345 55.6313 34.4844 173.7160 76 T 4.7998 9.4969 115.8333 59.8117 70.8622 174.3258 77 E 4.0884 9.2788 124.8575 59.3787 29.4128 179.1171 78 E 4.1303 8.1953 118.4393 59.5617 29.7076 178.8221 79 T 4.0691 8.0176 109.3224 64.8958 68.4801 175.9536 80 L 4.0992 8.1226 121.6349 57.8352 41.7492 179.8130 81 K 4.0951 7.8299 117.0857 59.2384 31.7329 179.4797 82 Q 4.0861 8.1510 117.4172 58.7481 28.5824 177.6701 83 Q 4.3098 7.7145 117.1084 54.9782 29.1958 175.8090 84 N 4.3264 7.6540 115.8736 53.5999 36.7601 174.4613 85 V 3.8722 7.2270 117.6832 63.7747 32.0989 175.7103 86 R 4.4767 8.7916 124.3021 55.3998 32.4101 173.7670 87 G 3.8438 8.3321 110.1786 45.9246 0.0000 173.9585 *89 K 4.3067 8.1248 125.3115 56.0040 34.1967 178.5397 90 K 4.3158 8.0220 117.7840 58.3821 31.8545 178.9015 91 L 3.4566 7.9224 121.0453 57.7192 42.1289 178.1935 92 D 4.2969 7.6711 117.6133 57.4725 40.7043 178.5919 93 N 4.3270 8.0597 116.4133 56.2843 38.6643 176.5532 94 Y 3.9146 7.5801 120.7947 60.6924 38.8576 178.0926 95 K 3.9054 7.8311 119.1148 59.5019 32.2397 178.6702 96 K 3.7225 7.9236 119.4019 59.8006 32.0539 178.1150 97 K 3.7655 8.2520 119.6187 59.6694 32.0126 178.1730 98 D 4.1765 8.2005 118.3138 57.4623 41.1383 178.1538 99 Q 3.9828 8.5248 118.8678 58.9726 28.6031 178.6655 100 E 4.0079 8.2753 119.8207 59.7395 29.5489 179.5776 101 T 4.1663 7.9686 109.6972 64.6667 68.8171 177.0418 102 K 4.2413 8.2185 120.7106 59.6549 32.0625 178.1774 103 R 3.9242 8.4737 120.1148 57.4398 29.3642 178.0850 104 W 4.4091 8.9786 127.8677 60.6665 31.0438 178.0923 105 L 3.4078 8.3138 119.1210 56.7484 41.4249 178.6882 106 K 4.0788 8.6958 119.4671 59.6556 32.6729 177.5381 107 N 4.7455 7.0636 113.2365 52.0931 39.2506 174.4692 108 A 3.5812 7.2388 121.4472 51.6960 18.9577 178.9951 109 S 4.2316 8.4274 117.7618 58.4277 64.9901 174.4172 110 P 4.2209 0.0000 0.0000 65.3840 31.0737 178.8314 111 E 3.9149 8.0704 117.9335 59.4836 29.6941 178.1751 112 D 4.5830 8.1944 118.4011 57.6682 40.8658 179.0898 113 V 3.5856 7.9779 118.5783 65.8676 31.5179 177.6741 114 E 3.9771 8.2420 119.0168 59.5380 29.5506 178.1187 115 Y 4.0305 8.3737 119.6073 60.7436 38.8963 177.3482 116 Y 4.1359 8.5850 120.6600 61.1034 39.1270 178.0919 117 N 4.5052 8.7369 117.4226 56.4857 38.7016 177.3282 118 C 4.1452 8.1662 118.3307 62.7149 28.1219 176.1821 119 Q 3.8017 7.7436 119.6663 59.0261 28.2285 178.7451 120 Q 3.9508 7.7501 118.7831 58.4767 28.3773 178.6328 121 E 3.8882 7.6846 118.7765 59.3206 29.8517 178.8074 122 L 4.0531 7.5510 118.2786 58.2542 41.8068 179.5563 123 T 3.7015 8.0462 115.7505 67.0764 68.2313 176.3666 124 D 4.2639 8.0301 119.0966 57.1525 40.8677 178.3640 125 D 4.4215 7.8677 119.8174 57.0553 40.9394 178.6064 126 L 3.8182 7.6134 118.9848 58.2138 41.6104 179.2191 127 H 2.9735 7.6203 115.6283 58.2337 28.3337 178.0646 128 K 3.9180 7.5187 120.5388 59.3323 31.7657 179.3634 129 Q 4.0546 7.7148 118.0496 59.0598 28.3898 178.1351 130 Y 4.3938 7.0725 116.4473 60.4831 37.9382 177.2565 131 Q 4.1669 7.8081 117.5861 55.5127 29.4783 174.3197 132 I 4.6488 8.3934 121.1750 59.4119 39.5575 175.1050 133 V 3.0399 6.7809 127.3406 62.5711 31.0745 175.8738 134 G 3.7482 8.6452 116.2095 46.5831 0.0000 173.5662 135 R 4.4535 6.7898 121.6241 56.0065 32.4913 172.5363 136 I 4.2082 8.0686 125.9276 60.3819 38.0235 175.4811 137 I 4.5324 7.9369 124.9537 61.2245 38.8413 174.7559 138 A 4.7906 7.4609 122.3580 52.7600 22.6430 174.7260 139 H 5.5775 8.9297 113.8004 54.7175 31.0110 174.1728 140 S 4.2704 9.1601 118.4823 58.1911 63.7548 173.5728 141 N 4.7195 8.4773 118.9885 53.9037 39.2160 174.8741 142 Q 4.2827 7.7007 115.5041 54.7041 29.3473 179.1536 143 K 4.3312 7.4473 117.4370 58.9191 34.2183 174.8929 144 S 4.4971 8.6691 118.1217 57.9407 64.2825 175.2445 *147 G 3.6120 7.7888 107.3080 46.5605 0.0000 171.1591 148 Y 4.7420 7.8891 122.3914 56.3514 41.4339 172.7999 149 P 4.6637 0.0000 0.0000 61.9526 33.4540 175.1210 150 D 4.8872 8.2584 120.3603 54.3038 42.5735 175.1753 151 Y 5.0929 8.7874 118.2048 56.4799 41.9173 174.2857 152 Y 4.0691 8.2836 124.6543 56.5041 40.0740 173.9525 153 C 4.5139 8.0043 124.9410 57.5447 31.3882 172.7472 154 K 4.0536 8.0304 123.8154 54.2889 33.8577 175.0106 155 W 5.1040 7.9770 127.0156 55.1686 31.0266 176.1130 156 Q 4.1481 8.6205 123.3928 57.3863 28.6324 177.5323 157 G 4.1066 8.9381 108.4966 45.8739 0.0000 173.2852 158 L 4.7152 7.5306 118.5992 51.7083 45.0277 174.6868 159 P 4.5405 0.0000 0.0000 62.6787 32.0983 177.2130 160 Y 3.8249 8.6315 116.8129 60.4721 37.9058 178.0927 161 S 4.4276 8.1494 112.7466 59.6555 63.2488 174.2720 162 E 4.5424 7.7496 119.6456 56.2296 29.9279 175.8449 163 C 4.5454 7.6677 117.2068 59.7206 28.8392 173.1915 164 S 4.6147 7.4074 113.6573 56.8722 66.1592 173.0384 165 W 5.0137 8.8154 121.4213 56.6748 30.0889 175.6566 166 E 4.9504 9.3867 122.2673 54.2637 34.2546 174.3805 167 D 4.8762 8.4889 122.1877 54.2735 41.8774 177.5942 168 G 4.0166 9.4523 113.6975 47.3763 0.0000 175.4643 169 A 2.7912 7.7016 122.6235 54.4984 18.1122 179.3791 170 L 3.8548 7.3839 116.5001 58.3377 42.4887 178.9685 171 I 4.1891 7.8649 119.8837 64.2223 37.1237 178.5592 172 S 4.3553 8.3199 115.4244 61.2903 62.6936 176.5582 173 K 4.0853 7.6078 120.3876 58.3340 31.7646 177.5371 174 K 4.2272 7.5071 115.6681 55.8088 34.1530 176.1504 175 F 5.0103 8.0224 117.6927 56.4653 39.9172 176.5289 176 Q 4.1023 8.4309 123.1579 59.4690 29.2551 178.9044 177 A 4.0016 8.0927 120.4908 52.4734 18.4295 178.9727 *179 I 3.8752 7.8455 114.7330 62.4006 39.7848 177.5211 180 D 4.5782 8.2104 121.2937 57.2225 40.4140 178.4433 181 E 4.0167 8.3210 119.3753 59.3708 29.3015 178.5583 182 Y 4.0106 7.8133 119.1822 60.8208 38.6032 178.0711 183 F 4.2501 7.7161 117.5759 59.8714 39.3906 177.6654 184 S 4.3968 8.2016 116.0352 60.9124 63.1223 175.5505 185 R 4.4752 7.3031 125.6124 57.5085 28.8214 181.5262 186 K 4.1743 8.0285 127.0452 57.6980 33.0637 174.1104 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 E 8.54 4.13 0.00 2.01 1.87 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 2.13 1.88 0.00 11 E 8.70 3.74 0.00 2.23 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 2.12 1.94 0.00 12 E 8.75 4.72 0.00 1.92 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.83 0.00 *13 F 8.49 4.94 0.00 2.26 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 0.00 0.00 0.00 0.00 14 E 8.20 4.95 0.00 1.49 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 2.02 1.55 0.00 15 T 8.49 5.27 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 16 I 8.67 3.72 1.64 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.62 0.07 0.00 0.00 17 E 8.43 4.31 0.00 2.02 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 2.15 2.18 0.00 18 R 7.06 4.48 0.00 1.76 1.51 0.00 3.23 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 19 F 8.31 4.28 0.00 2.51 1.68 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 *21 D 8.58 4.81 0.00 2.75 2.44 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 0.00 0.00 0.00 22 C 8.75 5.31 0.00 2.94 3.26 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 23 R 9.16 4.59 0.00 1.57 1.88 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.05 0.00 24 I 8.05 4.56 1.81 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 1.22 0.56 0.87 0.00 0.00 25 G 8.33 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.20 4.24 0.00 2.14 1.80 0.00 3.39 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 27 K 7.99 4.22 0.00 1.81 1.76 0.00 1.91 0.00 0.00 0.69 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.44 7.81 28 G 9.09 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.73 4.40 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 30 T 7.34 4.57 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 31 G 9.11 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 32 A 8.73 3.70 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 33 T 7.85 4.58 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 1.20 0.00 0.00 34 T 7.65 4.53 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 35 T 7.64 4.22 3.48 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 1.04 0.00 0.00 36 I 8.32 3.90 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.12 0.98 0.00 0.00 37 Y 8.00 4.70 0.00 3.25 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.13 4.05 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 39 V 8.13 4.03 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 1.50 0.00 0.00 1.00 0.00 0.00 40 E 8.71 3.95 0.00 2.06 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 2.35 2.62 0.00 41 A 7.69 4.09 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.85 4.89 0.00 2.54 2.68 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 43 G 7.72 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 0.00 0.00 0.00 44 D 8.44 4.78 0.00 2.75 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 45 P 0.00 3.98 0.00 2.05 2.11 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 46 N 8.16 4.71 0.00 2.59 2.68 0.00 0.00 6.87 7.38 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 47 A 8.97 3.98 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 48 G 8.20 3.80 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 0.00 49 F 7.74 4.24 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.34 4.25 0.00 1.67 1.52 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 0.00 2.05 2.12 0.00 51 K 8.40 3.19 0.00 1.85 1.65 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 0.99 7.81 *53 K 8.62 4.36 0.00 1.79 1.80 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 54 E 7.40 4.67 0.00 2.11 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 2.08 2.08 0.00 55 P 0.00 4.30 0.00 2.12 2.11 0.00 3.66 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 2.06 2.13 0.00 56 G 8.29 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.06 4.54 0.00 2.10 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 2.16 2.28 0.00 58 I 8.44 4.10 1.77 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 1.31 0.90 0.49 0.00 0.00 59 Q 9.36 4.80 0.00 1.79 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 60 Y 9.42 5.09 0.00 2.94 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 61 L 9.25 3.58 0.00 0.27 0.99 -0.03 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.92 4.00 0.78 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 1.03 0.61 -0.94 0.00 0.00 63 K 7.97 4.99 0.00 1.56 1.51 0.00 1.34 0.00 0.00 1.09 0.00 0.00 2.83 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.13 1.09 7.81 64 W 8.41 4.95 0.00 3.38 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.83 4.23 0.00 1.81 1.84 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.56 7.81 66 G 9.26 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 67 W 7.74 4.95 0.00 3.30 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 68 S 8.72 4.31 0.00 3.25 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.40 4.11 0.00 3.00 3.34 0.00 5.82 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 6.59 3.97 2.08 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.60 0.89 0.00 0.00 71 H 8.22 4.90 0.00 3.47 3.36 0.00 5.66 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 72 N 8.35 5.10 0.00 2.53 2.52 0.00 0.00 6.61 6.65 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 73 T 8.12 4.70 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 1.29 0.00 0.00 74 W 8.65 4.82 0.00 3.26 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 75 E 9.48 5.11 0.00 1.97 1.95 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 2.39 2.66 0.00 76 T 9.50 4.80 4.31 0.00 0.00 0.00 0.00 0.00 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 77 E 9.28 4.09 0.00 2.25 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 0.00 2.43 2.45 0.00 78 E 8.20 4.13 0.00 2.15 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 2.43 2.45 0.00 79 T 8.02 4.07 4.45 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 1.32 0.00 0.00 80 L 8.12 4.10 0.00 2.03 1.85 1.10 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 81 K 7.83 4.10 0.00 2.02 1.88 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.49 1.61 7.81 82 Q 8.15 4.09 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 83 Q 7.71 4.31 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.41 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 84 N 7.65 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0.00 0.00 0.00 0.00 1.26 0.00 0.00 102 K 8.22 4.24 0.00 1.75 1.92 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.66 1.60 7.81 103 R 8.47 3.92 0.00 2.24 2.01 0.00 3.16 0.00 0.00 3.11 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 104 W 8.98 4.41 0.00 3.38 3.39 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 0.00 105 L 8.31 3.41 0.00 1.80 1.64 0.20 0.49 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 0.00 106 K 8.70 4.08 0.00 1.72 1.94 0.00 1.85 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.58 7.81 107 N 7.06 4.75 0.00 2.60 2.73 0.00 0.00 7.04 7.23 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 0.00 108 A 7.24 3.58 0.03 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 0.00 109 S 8.43 4.23 0.00 4.02 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 0.00 110 P 0.00 4.22 0.00 2.15 2.07 0.00 3.58 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 2.09 2.09 0.00 111 E 8.07 3.91 0.00 2.05 1.97 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 2.43 2.44 0.00 112 D 8.19 4.58 0.00 2.97 3.07 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 0.00 113 V 7.98 3.59 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 1.06 0.00 0.00 0.79 0.00 0.00 114 E 8.24 3.98 0.00 2.35 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 0.00 2.35 2.42 0.00 115 Y 8.37 4.03 0.00 3.23 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 8.59 4.14 0.00 3.56 3.29 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 0.00 117 N 8.74 4.51 0.00 3.06 2.92 0.00 0.00 7.11 7.72 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 0.00 118 C 8.17 4.15 0.00 2.93 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 R 6.79 4.45 0.00 1.73 1.57 0.00 3.19 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.37 0.00 136 I 8.07 4.21 1.43 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.32 -0.02 0.00 0.00 137 I 7.94 4.53 1.86 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.47 1.05 0.00 0.00 138 A 7.46 4.79 1.16 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 0.00 139 H 8.93 5.58 0.00 3.29 3.45 0.00 5.54 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 9.16 4.27 0.00 3.55 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 0.00 141 N 8.48 4.72 0.00 2.60 2.76 0.00 0.00 6.89 7.08 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 0.00 142 Q 7.70 4.28 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.28 1.91 0.00 143 K 7.45 4.33 0.00 1.67 1.66 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.18 1.34 7.81 144 S 8.67 4.50 0.00 3.62 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 *147 G 7.79 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 0.00 148 Y 7.89 4.74 0.00 2.89 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.66 0.00 2.15 2.19 0.00 3.86 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.21 0.00 150 D 8.26 4.89 0.00 2.56 2.88 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 0.00 151 Y 8.79 5.09 0.00 2.94 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 0.00 152 Y 8.28 4.07 0.00 1.43 2.31 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.00 4.51 0.00 1.59 1.63 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 0.00 154 K 8.03 4.05 0.00 1.23 1.23 0.00 1.27 0.00 0.00 1.20 0.00 0.00 2.39 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.30 0.43 7.81 155 W 7.98 5.10 0.00 3.20 3.09 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 0.00 0.00 0.00 0.00 156 Q 8.62 4.15 0.00 2.35 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.96 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 157 G 8.94 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 0.00 158 L 7.53 4.72 0.00 1.70 1.40 0.49 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.54 0.00 2.18 2.01 0.00 3.51 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 2.09 2.11 0.00 160 Y 8.63 3.82 0.00 3.08 3.06 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 0.00 161 S 8.15 4.43 0.00 4.00 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 0.00 162 E 7.75 4.54 0.00 2.07 1.95 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 2.19 2.26 0.00 163 C 7.67 4.55 0.00 2.33 1.53 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.41 4.61 0.00 3.96 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 W 8.82 5.01 0.00 3.27 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 0.00 166 E 9.39 4.95 0.00 1.99 1.95 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 2.57 2.71 0.00 167 D 8.49 4.88 0.00 2.85 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 G 9.45 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 0.00 169 A 7.70 2.79 0.98 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 0.00 0.00 170 L 7.38 3.85 0.00 1.54 1.78 0.72 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 171 I 7.86 4.19 2.20 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.52 1.03 0.00 0.00 172 S 8.32 4.36 0.00 4.44 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 0.00 173 K 7.61 4.09 0.00 1.87 1.90 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.65 7.81 174 K 7.51 4.23 0.00 1.39 0.90 0.00 1.80 0.00 0.00 1.22 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 0.98 7.81 175 F 8.02 5.01 0.00 3.09 2.93 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 0.00 176 Q 8.43 4.10 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.14 0.00 0.00 0.00 0.00 0.00 2.49 2.70 0.00 177 A 8.09 4.00 1.34 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 0.00 0.00 0.00 *179 I 7.85 3.88 1.18 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.09 0.66 0.00 0.00 180 D 8.21 4.58 0.00 2.91 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 0.00 181 E 8.32 4.02 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 182 Y 7.81 4.01 0.00 2.78 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 0.00 183 F 7.72 4.25 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 S 8.20 4.40 0.00 4.10 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 R 7.30 4.48 0.00 1.90 1.83 0.00 3.30 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 186 K 8.03 4.17 0.00 1.57 1.61 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.