NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4359 8.3193 115.2893 57.6746 64.1742 174.9161 7 D 4.4771 6.0500 117.8363 51.6330 40.1452 176.1925 8 I 4.1174 7.5255 120.0988 60.7028 38.2223 177.6891 9 E 4.2296 8.2597 129.2059 54.8393 27.9144 175.2114 10 V 4.1268 7.5371 120.6858 61.6799 34.2140 173.6066 11 G 3.9594 7.9963 113.8595 45.8008 0.0000 172.0362 12 H 4.7449 8.8375 116.6653 56.3367 35.1896 174.1237 13 S 3.2879 7.8405 113.4718 58.3418 61.9512 170.8649 *15 N 4.4119 8.3066 117.1501 54.0067 39.3455 173.5637 16 L 4.1895 8.3136 124.0804 54.3799 42.1145 176.5497 17 T 3.9800 7.4944 109.1057 62.6509 69.2953 173.2242 18 N 3.7021 8.1083 118.5541 53.5359 38.4221 172.9894 19 H 4.9238 7.4135 113.0560 54.1716 31.7148 173.2386 20 F 5.4769 8.5510 118.6940 56.2542 41.5051 175.0781 21 L 4.7894 9.6247 123.7551 53.1847 43.8447 175.5144 22 V 4.7837 8.7905 124.9820 61.1475 33.2375 176.2004 23 A 4.4434 8.9354 132.1373 51.3852 19.1986 175.1650 *25 P 4.3641 0.0000 0.0000 62.1650 33.4172 176.4605 26 S 4.4606 7.9032 112.8710 56.6661 63.4262 173.7821 *28 K 4.1943 8.4940 124.4862 56.0562 33.9769 175.8900 29 D 4.3660 7.9938 119.7303 54.0150 40.8051 175.4395 30 P 4.3194 0.0000 0.0000 65.3189 31.6117 177.5757 31 Y 3.8666 8.0806 119.3803 59.3122 38.9672 175.7893 32 F 5.0367 7.8656 116.6115 57.3083 40.5533 176.7690 33 K 3.9450 7.3854 123.7127 59.5604 32.4472 177.6922 34 R 3.8080 7.1512 116.1560 54.3091 31.0677 174.4580 35 S 4.9778 8.0987 113.3825 57.4577 66.2001 175.0431 36 V 5.0500 8.7176 120.3933 61.6934 33.4473 174.3902 37 I 4.8669 8.9379 129.7034 59.8579 39.8420 174.3218 38 Y 5.2402 8.9288 128.0562 56.0079 40.5856 174.6325 39 I 3.7679 8.0656 129.0886 61.5570 37.4685 176.8650 40 C 4.3728 8.7309 124.9487 60.7618 29.0008 173.6601 41 E 4.5349 7.4399 117.0541 55.5625 31.9995 173.6373 42 H 5.1203 8.7381 125.5719 54.6940 32.4845 171.5290 43 N 4.7713 9.1150 123.8793 51.7448 40.1203 174.8094 44 Q 4.1914 8.6803 116.3900 59.2584 28.6842 178.3407 45 D 4.5147 8.4801 116.7355 55.4845 41.8506 176.8474 46 G 3.7660 7.0677 106.7737 44.0499 0.0000 170.0480 47 A 4.9630 7.6377 122.0506 49.9471 22.9796 175.6871 *49 G 4.1295 8.5061 101.8538 46.3315 0.0000 171.6370 50 L 5.1323 8.4114 121.1763 54.1707 45.2382 179.7081 *52 I 3.8937 8.6653 124.2082 61.7324 38.9406 175.3215 53 N 5.2549 8.1581 116.8912 52.7825 37.9930 174.7968 54 A 4.8962 8.3067 120.4103 50.4259 18.5316 173.9301 55 P 3.6005 0.0000 0.0000 62.1440 32.4519 177.5007 56 I 3.9015 8.3155 125.3992 59.7383 39.6498 174.4699 57 D 4.3604 8.7713 122.5687 56.3759 41.6352 176.2093 58 I 3.7287 7.5036 112.5227 61.4996 37.9792 175.4496 59 T 4.6283 8.0015 112.1981 59.8950 70.7235 175.2421 60 V 3.8203 8.7327 122.1943 64.8560 31.6295 178.1165 61 G 3.7248 8.5292 110.1383 48.2881 0.0000 176.4266 62 G 3.8656 8.2120 106.8502 46.1852 0.0000 175.1450 *64 L 4.1904 8.0207 120.0203 54.3995 43.7497 178.8992 65 K 3.7648 8.2720 119.5802 59.7057 32.3082 178.3319 66 Q 3.9151 8.3879 118.6662 59.3268 28.8225 177.8045 67 V 3.6801 7.6622 113.9167 63.2886 31.7105 174.7331 68 D 4.4220 7.8973 117.3586 55.7730 39.9474 173.3320 69 I 3.8814 7.5868 118.6027 60.3553 37.5103 175.6077 70 E 4.1942 8.6543 127.4013 54.3535 29.8508 174.4109 71 P 4.4713 0.0000 0.0000 63.0992 31.8582 176.0178 72 A 4.2160 8.2316 121.6152 52.4749 19.2710 176.3036 73 Y 4.8049 7.2028 111.9040 55.8137 42.1232 172.6517 74 P 4.3917 0.0000 0.0000 63.3307 31.8484 177.7375 75 Q 5.0406 8.1737 121.5079 54.3542 27.4184 175.7620 76 S 4.3257 8.1969 117.5286 61.7761 63.8770 177.2679 77 H 4.6861 7.9868 118.7452 54.7696 27.2648 177.0217 78 Q 4.0322 8.3752 122.6237 59.2901 29.4296 178.5689 79 E 3.9304 8.2391 116.7928 59.0032 30.1283 178.1109 80 N 4.5142 8.0924 114.7738 55.0077 38.9387 176.2540 81 L 4.3838 7.6098 119.6454 56.1139 42.4354 177.7073 82 K 4.3931 7.7663 116.0551 57.1407 33.0624 177.0527 83 K 4.2765 7.4531 118.1977 55.8820 33.1384 174.9652 84 P 4.8009 0.0000 0.0000 62.5279 32.9827 175.3741 85 V 4.5675 7.9568 113.2172 60.1334 34.4538 175.7279 86 F 4.9253 9.6775 122.2577 56.2503 42.2388 174.4432 87 N 4.6438 9.5124 120.2789 52.3763 38.1189 174.7236 88 G 4.4267 8.7021 114.5459 47.8405 0.0000 171.9046 89 G 4.7889 7.4276 105.1654 44.8215 0.0000 170.7636 90 P 4.6598 0.0000 0.0000 63.9055 31.9726 176.8975 91 V 3.5677 7.3627 119.5596 63.6882 32.7391 175.5170 92 S 4.0261 8.7869 121.8884 59.9291 60.0640 173.2011 93 E 4.2852 7.9650 118.2502 58.1830 29.8479 178.4651 94 D 4.9090 8.0539 117.3439 52.8690 40.0502 175.8165 95 R 4.5610 7.7866 118.9523 54.6469 33.0279 175.3679 96 G 4.0847 8.1782 109.4259 45.6416 0.0000 173.9199 97 F 4.8309 8.8518 121.0442 56.4036 42.8368 173.4302 98 I 4.6834 8.9075 126.5571 60.2051 38.5887 174.8620 99 L 5.1229 8.9708 130.5882 53.9079 43.8353 174.9744 100 H 4.7695 9.0061 121.6493 54.7246 32.6783 171.7034 101 R 5.2995 8.0203 117.8112 53.8060 30.7239 175.2400 102 P 4.1379 0.0000 0.0000 63.0526 31.3179 174.3075 103 R 4.4179 8.0648 121.4689 56.6391 32.5897 176.0547 104 D 4.8220 7.2714 119.4307 52.9487 44.4615 173.5454 105 H 4.4312 8.2884 119.1975 55.2735 31.0741 174.5452 106 Y 5.0266 7.5006 123.4670 55.9957 40.9416 175.3264 107 E 4.0829 9.3831 123.6909 59.2745 29.7473 178.2369 108 S 4.5988 7.9266 116.0077 56.0993 63.0268 172.0887 109 S 5.3084 7.7318 121.3860 55.4359 64.5995 172.6301 *111 K 4.0944 8.4021 117.7516 56.7582 33.5601 175.3978 *113 T 4.3246 7.8953 107.5510 62.3319 68.9831 173.8486 114 D 4.6545 8.7491 117.8245 55.6100 41.7358 176.3224 115 D 5.0653 8.0440 116.8184 53.8223 43.6761 175.6642 116 I 5.2831 8.0350 118.5675 59.5986 40.5801 174.6453 117 A 4.6908 8.9389 126.1808 50.9829 23.4215 175.0358 118 V 4.7923 8.3736 118.5094 61.4714 34.7071 174.2407 119 T 5.1047 9.0999 125.1546 61.8684 70.9586 174.7291 120 T 4.8354 8.8921 115.1849 61.2391 69.8483 173.6536 121 S 4.7550 7.9095 117.1935 56.4175 65.1584 175.0217 122 K 3.8088 8.7836 122.7187 60.1300 32.7244 178.4520 123 D 4.3541 8.3322 119.6246 56.7519 39.0346 178.8396 124 I 3.1621 7.2755 120.0114 63.3161 37.8113 177.6469 125 L 3.9722 8.2885 120.3191 57.6261 41.3924 179.1463 126 T 4.0601 8.0549 109.1755 63.7149 68.8605 176.2844 127 V 4.1431 7.4810 114.1007 60.9995 32.3060 175.9728 128 L 4.1599 6.6714 118.3890 56.1503 42.1337 177.7839 129 G 4.0863 9.3363 111.3737 45.4615 0.0000 173.2632 130 T 4.8818 7.5114 109.6975 59.3822 70.8806 175.2342 131 E 3.8519 8.6145 123.1693 59.1139 29.5525 177.7395 132 A 4.1414 7.5511 119.6022 52.8239 18.6688 177.3595 133 E 4.1445 8.2547 115.1719 54.3880 30.6399 175.1436 134 P 4.2173 0.0000 0.0000 63.1030 31.4710 176.8652 135 E 4.0324 8.7876 122.1740 58.5063 29.9207 176.8494 136 G 4.0783 7.6471 105.7533 45.7730 0.0000 171.9135 137 Y 5.3567 7.8395 120.9986 56.1980 40.6451 173.5697 138 I 4.7934 9.0145 114.9744 59.2320 41.3607 174.1699 139 V 4.7502 8.7751 125.1232 60.4644 33.4189 174.5172 140 A 5.4897 9.1971 126.9108 50.0363 22.6731 174.8449 141 L 5.1020 8.8669 120.5557 54.2738 44.3224 177.9830 142 G 5.1550 10.2921 109.6565 45.6777 0.0000 170.7691 143 Y 5.2622 8.6332 116.2990 55.6468 42.3132 173.6972 144 S 4.7428 9.5207 116.6465 56.8770 64.0177 174.5578 145 G 4.2696 7.9557 111.2599 44.0982 0.0000 172.0139 146 W 5.1055 9.0846 120.3651 54.7526 33.4122 175.7070 147 S 5.0556 8.7077 118.7630 57.0490 65.1736 173.1124 148 A 4.1864 8.6753 123.0575 54.0757 18.4075 179.5970 149 G 4.8580 8.9340 112.5629 47.0328 0.0000 175.4341 150 Q 4.0564 8.4626 119.2468 59.3343 28.6270 179.4440 151 L 3.9377 7.9380 120.5063 58.0874 41.4736 178.3654 152 E 3.9151 8.0918 118.8410 59.5925 29.5376 179.7381 153 V 4.0001 7.5509 117.3908 64.3701 31.7834 178.3568 154 E 5.1591 8.1513 120.7728 58.8412 29.0156 179.2320 155 L 4.1296 7.2735 119.3006 57.8968 41.8686 178.5844 156 T 4.0263 7.3886 104.8289 62.9570 68.9657 173.7752 157 E 4.5769 7.8612 122.7228 55.2081 31.8303 175.3537 158 N 4.8308 8.3390 116.8709 53.7451 38.3888 175.8145 159 S 4.3263 8.0017 114.7715 59.3332 65.0351 174.6860 160 W 5.4590 7.8266 115.9776 54.9792 32.9538 174.2613 161 L 5.1097 8.9307 119.1973 53.8065 45.9641 175.6924 162 T 5.1664 8.2647 109.2775 59.5978 72.2131 172.7434 163 I 4.5802 8.1135 120.9185 59.4902 41.5415 173.3939 164 E 3.9608 8.8123 128.1308 56.5488 30.1210 176.0314 165 A 4.4315 7.8120 126.1237 50.7529 20.3011 176.5832 166 D 4.8666 8.5865 118.2852 49.9847 42.4605 174.5772 167 P 4.1506 0.0000 0.0000 66.3457 30.9631 178.3069 168 E 4.9096 8.3208 118.9053 58.8025 29.1819 178.9987 169 L 3.9795 7.8529 118.7497 57.3760 42.0892 178.4064 170 I 3.9059 7.4310 118.9835 62.4583 37.6640 176.7624 171 F 5.0563 7.1412 114.6740 57.2208 39.5076 175.3292 172 N 4.9688 7.8698 117.5037 54.9034 42.9487 174.4284 173 T 4.1144 7.8141 112.3680 61.2401 68.2073 172.2635 174 P 4.3417 0.0000 0.0000 63.0007 32.3848 177.0098 175 V 3.6589 8.6766 120.6957 66.9230 31.2182 178.1741 176 H 4.4185 8.2604 113.3058 58.0636 28.9149 176.0397 177 E 4.6433 8.1772 118.7796 55.8984 30.5463 177.7216 178 K 3.8031 7.8777 118.8774 59.3719 32.4439 178.4543 179 W 4.2681 8.1525 127.5709 60.5740 30.4184 177.4870 180 Q 3.4515 8.3556 119.0375 59.2220 28.0627 178.3059 181 K 3.9849 8.3210 119.1563 58.5385 32.5574 178.4501 182 A 4.0037 7.7710 121.8478 54.9562 18.2892 179.4065 183 I 3.5034 7.1105 110.5627 64.3241 37.4809 178.0559 184 Q 4.1298 7.4147 120.1392 57.9176 28.2847 178.7599 185 K 4.1198 7.8397 119.2482 58.2336 32.1639 177.5800 186 L 4.6515 8.2371 118.9827 53.9134 42.4721 176.2075 187 G 4.0135 7.9786 105.8897 46.3082 0.0000 174.0808 188 I 4.7360 7.2817 110.0526 58.9304 40.9663 173.8664 189 S 4.6354 8.1460 115.7295 55.9130 66.6161 172.3978 190 P 4.3904 0.0000 0.0000 62.2504 33.4739 177.1816 191 A 3.4426 8.9414 116.0121 55.3122 17.8773 177.9288 192 Q 4.1912 9.4904 119.9730 55.6891 28.7578 176.8594 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 6 S 8.32 4.44 0.00 3.84 3.71 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 7 D 6.05 4.48 0.00 2.74 2.61 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 8 I 7.53 4.12 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 1.29 0.45 0.90 0.00 0.00 9 E 8.26 4.23 0.00 1.89 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 2.26 2.32 0.00 10 V 7.54 4.13 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 0.82 0.00 0.00 0.91 0.00 0.00 11 G 8.00 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.84 4.74 0.00 3.10 3.27 0.00 5.86 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.84 3.29 0.00 3.94 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 *15 N 8.31 4.41 0.00 2.62 2.71 0.00 0.00 6.88 7.78 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 16 L 8.31 4.19 0.00 1.30 1.31 0.54 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.49 3.98 4.13 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 1.16 0.00 0.00 18 N 8.11 3.70 0.00 2.86 2.77 0.00 0.00 6.96 7.51 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 19 H 7.41 4.92 0.00 3.18 3.03 0.00 5.84 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.55 5.48 0.00 3.15 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 21 L 9.62 4.79 0.00 1.33 0.93 -0.53 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.79 4.78 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 1.07 0.00 0.00 1.01 0.00 0.00 23 A 8.94 4.44 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 *25 P 0.00 4.36 0.00 2.16 2.32 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.38 0.00 26 S 7.90 4.46 0.00 3.96 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 *28 K 8.49 4.19 0.00 1.77 1.94 0.00 1.73 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.48 7.81 29 D 7.99 4.37 0.00 2.82 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 30 P 0.00 4.32 0.00 2.22 2.26 0.00 3.76 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 1.94 0.00 31 Y 8.08 3.87 0.00 2.65 2.34 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 32 F 7.87 5.04 0.00 3.10 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 33 K 7.39 3.95 0.00 1.80 1.65 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.34 1.35 7.81 34 R 7.15 3.81 0.00 1.15 0.66 0.00 2.78 0.00 0.00 2.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.05 0.00 35 S 8.10 4.98 0.00 4.29 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 0.00 36 V 8.72 5.05 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 0.48 0.00 0.00 1.11 0.00 0.00 37 I 8.94 4.87 1.79 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 0.99 1.10 0.00 0.00 38 Y 8.93 5.24 0.00 3.26 2.90 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 39 I 8.07 3.77 1.68 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.55 0.67 0.00 0.00 40 C 8.73 4.37 0.00 2.97 3.03 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 41 E 7.44 4.53 0.00 1.93 1.73 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 2.22 2.21 0.00 42 H 8.74 5.12 0.00 2.85 3.16 0.00 5.99 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 9.12 4.77 0.00 2.86 2.84 0.00 0.00 6.53 6.98 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 44 Q 8.68 4.19 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.15 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 45 D 8.48 4.51 0.00 2.93 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 46 G 7.07 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 0.00 0.00 0.00 47 A 7.64 4.96 1.05 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 0.00 0.00 *49 G 8.51 4.13 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 0.00 0.00 0.00 50 L 8.41 5.13 0.00 1.74 1.47 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 *52 I 8.67 3.89 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.17 0.74 0.00 0.00 53 N 8.16 5.25 0.00 2.89 2.90 0.00 0.00 5.83 7.26 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 54 A 8.31 4.90 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 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*64 L 8.02 4.19 0.00 1.96 1.77 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.27 3.76 0.00 1.78 2.01 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.41 7.81 66 Q 8.39 3.92 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 67 V 7.66 3.68 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 0.80 0.00 0.00 0.93 0.00 0.00 68 D 7.90 4.42 0.00 2.82 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 69 I 7.59 3.88 1.86 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 1.17 0.90 0.88 0.00 0.00 70 E 8.65 4.19 0.00 1.90 1.83 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 2.23 2.26 0.00 71 P 0.00 4.47 0.00 2.42 2.05 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 72 A 8.23 4.22 0.89 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 0.00 133 E 8.25 4.14 0.00 1.75 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 2.55 2.30 0.00 134 P 0.00 4.22 0.00 2.15 2.10 0.00 3.33 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 135 E 8.79 4.03 0.00 1.92 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 2.30 2.39 0.00 136 G 7.65 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 0.00 0.00 0.00 137 Y 7.84 5.36 0.00 3.00 2.82 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 0.00 138 I 9.01 4.79 1.78 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.94 0.89 0.00 0.00 139 V 8.78 4.75 2.29 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 0.96 0.00 0.00 1.05 0.00 0.00 140 A 9.20 5.49 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 0.00 0.00 141 L 8.87 5.10 0.00 1.72 1.85 0.97 1.06 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 0.00 142 G 10.29 5.15 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 0.00 143 Y 8.63 5.26 0.00 3.06 2.42 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 0.00 144 S 9.52 4.74 0.00 3.83 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 0.00 145 G 7.96 4.27 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 0.00 146 W 9.08 5.11 0.00 3.32 2.96 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 0.00 0.00 0.00 147 S 8.71 5.06 0.00 3.85 3.86 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 0.00 148 A 8.68 4.19 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 0.00 149 G 8.93 4.86 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 0.00 0.00 0.00 150 Q 8.46 4.06 0.00 2.37 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.77 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 151 L 7.94 3.94 0.00 0.91 1.35 -0.41 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.09 3.92 0.00 2.34 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 2.33 2.37 0.00 153 V 7.55 4.00 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 1.04 0.00 0.00 0.99 0.00 0.00 154 E 8.15 5.16 0.00 2.37 2.43 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 2.66 2.67 0.00 155 L 7.27 4.13 0.00 1.95 1.73 0.77 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 156 T 7.39 4.03 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 1.27 0.00 0.00 157 E 7.86 4.58 0.00 2.33 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 0.00 2.29 2.50 0.00 158 N 8.34 4.83 0.00 2.70 2.81 0.00 0.00 6.78 7.57 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 0.00 159 S 8.00 4.33 0.00 3.68 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 0.00 160 W 7.83 5.46 0.00 3.07 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 0.00 161 L 8.93 5.11 0.00 1.68 1.55 0.95 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 162 T 8.26 5.17 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 1.21 0.00 0.00 163 I 8.11 4.58 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.06 1.04 0.00 0.00 164 E 8.81 3.96 0.00 1.86 1.76 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 2.17 2.09 0.00 165 A 7.81 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 D 8.59 4.87 0.00 2.78 2.66 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 0.00 167 P 0.00 4.15 0.00 2.53 2.55 0.00 3.74 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 2.15 2.16 0.00 168 E 8.32 4.91 0.00 2.40 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 0.00 2.44 2.35 0.00 169 L 7.85 3.98 0.00 1.85 1.97 0.23 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 170 I 7.43 3.91 0.56 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.86 0.39 0.00 0.00 171 F 7.14 5.06 0.00 3.06 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 0.00 172 N 7.87 4.97 0.00 2.94 2.79 0.00 0.00 6.66 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 0.00 173 T 7.81 4.11 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 0.00 174 P 0.00 4.34 0.00 2.43 2.01 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.12 0.00 175 V 8.68 3.66 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 1.19 0.00 0.00 1.21 0.00 0.00 176 H 8.26 4.42 0.00 3.19 3.38 0.00 5.73 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 0.00 177 E 8.18 4.64 0.00 2.02 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 2.26 2.36 0.00 178 K 7.88 3.80 0.00 1.92 1.86 0.00 1.72 0.00 0.00 1.62 0.00 0.00 3.15 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.56 1.72 7.81 179 W 8.15 4.27 0.00 3.44 3.31 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 0.00 180 Q 8.36 3.45 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 181 K 8.32 3.98 0.00 1.71 1.83 0.00 1.83 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.40 7.81 182 A 7.77 4.00 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 0.00 183 I 7.11 3.50 1.61 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.36 0.54 0.00 0.00 184 Q 7.41 4.13 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.14 0.00 185 K 7.84 4.12 0.00 1.88 2.02 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.47 7.81 186 L 8.24 4.65 0.00 1.73 1.64 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 187 G 7.98 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 0.00 0.00 0.00 188 I 7.28 4.74 1.84 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 1.48 0.70 0.94 0.00 0.00 189 S 8.15 4.64 0.00 3.78 3.69 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 0.00 190 P 0.00 4.39 0.00 2.11 2.20 0.00 3.66 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 191 A 8.94 3.44 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 0.00 192 Q 9.49 4.19 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.