NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4051 8.3049 120.6056 55.3321 33.7800 174.8699 2 R 3.7133 7.1964 121.2614 56.1373 32.0048 174.9225 3 K 4.5896 9.3507 126.5000 55.6903 33.8479 175.8237 4 I 4.6615 8.1032 126.4535 59.1591 40.4145 175.4395 5 G 4.1964 8.9489 114.3324 45.4702 0.0000 172.4693 6 I 4.9989 8.8515 123.1799 59.0710 40.6812 174.4695 7 I 4.3426 8.6373 126.9624 59.1398 40.4174 174.8052 8 G 4.8270 8.6321 116.8102 44.7305 0.0000 172.0841 9 G 3.7055 7.9239 108.4944 45.9800 0.0000 173.9415 10 T 3.9036 8.1663 110.0447 62.6598 69.2122 174.8172 11 F 3.7867 7.4205 119.5159 58.8568 36.8685 174.9973 12 D 5.1898 7.8170 115.9816 52.0729 41.1281 171.8388 13 P 5.0981 0.0000 0.0000 59.4704 33.9916 174.2883 14 P 4.7010 0.0000 0.0000 63.2084 32.1596 174.8950 15 H 4.8248 8.2648 113.8903 53.6177 31.3421 173.5893 16 Y 4.6406 8.9636 116.7245 60.5680 37.3601 178.9471 17 G 3.6875 8.2266 107.0516 48.0303 0.0000 175.3469 18 H 4.3505 8.0800 118.2847 58.7289 28.7567 177.9217 19 L 4.1885 8.1815 120.2782 57.7009 41.4725 179.1491 20 L 4.1393 8.5439 120.4773 58.3139 42.0572 178.9926 21 I 3.7385 7.9516 119.3774 64.4695 37.1345 177.9736 22 A 3.8600 8.1586 121.6240 55.3569 18.0769 179.2465 23 N 4.6645 8.7939 115.5184 57.0359 39.1730 176.8306 24 E 4.0995 8.5816 120.1938 59.6091 29.5729 179.6786 25 V 3.6118 8.1416 118.2246 66.0168 31.6396 177.0102 26 Y 4.2400 8.2208 119.4402 61.4623 38.4004 178.2702 27 H 4.0058 8.5031 116.3315 58.5327 28.7212 177.5275 28 A 3.9965 8.4140 122.7812 54.9753 18.2068 178.2662 29 L 4.3275 7.9291 112.0284 53.7249 42.5977 175.8268 30 N 3.8678 7.3304 116.3821 54.4637 37.4039 173.5781 31 L 4.2132 7.4406 117.1943 54.5325 43.0295 177.4363 32 E 4.3780 9.0211 121.8676 58.9656 30.2830 176.2175 33 E 5.1604 7.9879 116.1880 55.1800 34.7383 174.2127 34 V 4.7711 9.2974 121.6960 61.0626 34.5592 174.1375 35 W 5.5466 9.1828 128.2462 55.3254 31.2964 175.2912 36 F 4.5153 9.9412 124.9039 56.9270 39.9820 174.5588 37 L 5.2716 9.1637 126.8283 51.4185 43.0300 172.8352 38 P 5.2289 0.0000 0.0000 62.7862 32.0756 176.7683 39 N 4.9337 8.8698 122.3240 53.0395 40.6463 173.5769 40 Q 4.3853 8.4571 118.6096 54.8456 30.1324 175.3816 *50 I 3.9810 8.1052 123.0467 61.0346 38.3963 175.8185 51 T 4.0112 8.4578 121.7642 63.2637 69.1950 175.1128 52 S 4.3388 8.3962 120.2214 58.1740 65.1521 175.5826 53 V 3.5898 8.3336 122.5732 66.3335 31.3385 178.0454 54 E 3.9119 8.1135 118.5554 59.2692 29.5109 178.8765 55 S 4.4344 8.3242 116.9879 61.0116 62.8287 176.8101 56 R 3.9192 7.9754 120.8170 59.2305 29.7369 179.1464 57 L 3.8737 8.0793 118.9138 57.9013 41.6002 179.6462 58 Q 3.8286 7.8614 117.8327 58.9879 28.5660 178.7309 59 M 3.6336 7.5679 119.8597 58.0015 32.0668 178.4741 60 L 3.6955 7.9080 120.7667 57.8166 42.1538 178.6157 61 E 3.7415 8.2203 119.5372 59.2763 29.3869 178.7577 62 L 3.8760 7.5658 117.2427 57.8268 41.7540 179.0963 63 A 4.0298 8.2149 120.0691 54.3591 18.7172 178.6889 64 T 4.4208 7.3245 105.4172 61.3535 69.4233 175.9887 65 E 3.8630 8.0300 120.0334 59.1219 29.4839 177.7252 66 A 4.2626 7.8372 120.1092 52.2038 19.3511 176.5472 67 E 4.4009 7.9395 114.0390 53.9544 31.0801 176.3130 68 E 3.9214 8.9602 124.7852 59.5199 29.8006 177.7907 69 H 4.7172 8.0853 112.2828 55.9832 29.9099 174.5517 70 F 5.8935 8.2249 119.2540 56.4964 40.5656 175.3229 71 S 4.8222 9.6362 118.5624 56.9687 67.7507 172.6972 72 I 4.6711 8.1216 121.9420 60.0507 38.7544 174.7456 73 C 4.5230 9.1561 127.3905 57.5720 33.7616 173.9734 74 L 4.5846 8.4468 124.8829 54.4542 42.0832 177.6262 75 E 3.9286 8.4060 121.7238 59.7301 29.3119 178.3481 76 E 4.3437 8.2006 113.5007 56.8629 29.4757 177.1114 77 L 4.4677 8.3479 121.1901 56.0326 42.8192 178.1286 78 S 4.0347 7.4451 112.3358 61.0293 62.8665 174.8966 *83 S 4.0538 7.8191 115.6779 58.1204 63.5627 173.7374 84 Y 4.5836 7.8903 122.9142 57.8605 39.7724 176.8818 85 T 3.9193 8.5680 119.5435 66.9558 68.5405 176.1042 86 Y 4.1545 8.3623 120.9385 60.9721 38.7862 177.8693 87 D 4.2967 8.4274 119.0050 57.7434 41.0315 178.8294 88 T 3.8618 7.6650 115.9539 67.1045 68.4322 176.7820 89 M 3.9161 8.3073 120.8463 57.7911 31.8702 178.5739 90 L 3.7193 7.7930 120.9912 58.2109 42.1517 179.0134 91 Q 3.9875 7.9398 117.7893 59.1096 28.6419 179.0489 92 L 4.2190 7.9987 120.1534 57.9914 41.7194 179.6966 93 T 4.2966 8.2689 110.2201 64.6364 68.5012 176.9642 94 K 4.0965 7.9989 120.6342 59.3635 32.1943 179.2017 95 K 4.1014 8.2237 117.6800 57.9685 33.5823 177.1036 96 Y 4.8570 8.3882 117.2600 55.2646 37.9198 174.2817 97 P 4.5801 0.0000 0.0000 64.1082 31.7925 177.0908 98 D 4.8920 8.1078 116.9783 52.9367 39.8710 174.9668 99 V 4.3128 7.4288 119.4822 62.1042 33.1573 174.9264 100 Q 4.2730 8.5181 129.8645 54.7606 29.9025 174.2784 101 F 4.6849 8.5567 126.3712 57.4282 40.8312 174.5617 102 H 5.0899 9.6498 121.5900 54.0955 30.6321 173.3615 103 F 4.5881 9.0621 128.1250 57.2884 40.3000 174.4034 104 I 4.9653 7.9519 128.4831 60.4180 38.0179 175.5331 105 I 4.9015 9.2181 119.9764 58.7232 41.6065 175.3170 106 G 4.0255 8.8478 112.0196 45.2826 0.0000 175.0294 107 G 3.7344 8.6795 108.4887 47.7944 0.0000 175.9893 108 D 4.4255 8.0615 119.4352 56.8532 41.1499 177.6274 109 M 4.4524 8.0474 118.7480 57.6221 32.4188 178.1216 110 V 3.3730 7.3444 118.5233 65.9418 31.4659 177.4435 111 E 3.7804 7.8999 117.2418 58.5421 29.5468 176.5463 112 Y 4.9143 7.5614 114.3508 57.6211 39.2286 177.1472 113 L 3.0405 7.6925 121.1403 57.4218 41.3915 177.5067 114 P 4.6187 0.0000 0.0000 64.1709 31.3632 177.6551 115 K 4.3773 8.2528 115.9369 55.7464 32.8903 177.0339 116 W 4.3366 8.0308 121.1487 55.9518 29.7109 175.0742 117 Y 3.9420 8.4350 122.9452 59.2312 38.4055 175.5034 118 N 3.6427 8.2414 125.1820 53.9160 37.7200 175.6607 119 I 3.6244 7.3726 118.2317 63.9757 37.7731 176.3314 120 E 3.9444 7.8914 116.2954 58.8495 29.8578 178.3339 121 A 4.1160 7.6936 121.5918 54.6744 18.5546 179.0965 122 L 4.1383 8.1109 119.1968 58.3227 41.9534 179.1782 123 L 4.0950 7.8269 117.9307 57.3563 41.6876 177.8821 124 D 4.5768 7.6294 117.0837 55.6857 41.2143 177.4025 125 L 4.3447 7.6721 118.5083 56.2153 42.2512 176.8787 126 V 4.6749 7.2100 108.7877 59.8421 36.1747 175.1244 127 T 4.4439 8.4328 119.1970 61.9034 70.2770 174.4002 128 F 4.8551 8.7317 125.8318 57.3290 40.8171 174.6024 129 V 4.7531 9.4295 123.5135 61.2188 33.9457 174.3361 130 G 4.3550 9.3516 116.4523 45.0188 0.0000 172.2856 131 V 4.7438 8.8181 124.9140 61.7816 32.7335 174.5542 132 A 5.1986 8.7574 130.0148 49.8514 22.1935 175.9411 133 R 4.4838 8.5266 118.8103 55.4143 31.6222 174.7963 134 P 4.5695 0.0000 0.0000 64.5396 31.6721 177.0553 135 G 3.9726 9.1787 111.4253 45.2745 0.0000 172.3326 136 Y 4.7295 7.6194 120.4119 55.6081 40.4331 174.6476 137 K 4.2490 7.4307 125.3095 54.3768 33.9425 176.0543 138 L 4.1202 8.0223 123.5880 54.1133 42.5053 176.3570 139 R 4.3882 8.1891 122.2833 55.0542 31.2231 175.7207 140 T 4.3137 7.7362 114.7386 60.5574 70.0130 171.5416 141 P 4.1837 0.0000 0.0000 65.0266 31.7740 176.7083 142 Y 4.5721 7.1515 115.4913 56.2594 38.7932 173.4339 143 P 4.8159 0.0000 0.0000 62.0964 30.3115 175.2080 144 I 4.7454 7.8723 117.7500 59.6259 40.9394 174.9512 145 T 4.5616 8.7907 119.9158 62.9478 70.3294 173.9558 146 T 5.1041 8.4554 121.2266 61.7817 71.2533 173.7191 147 V 4.4455 8.6750 125.4714 61.0789 34.6289 173.9736 148 E 4.9791 8.8876 127.5464 55.7927 30.3195 175.9317 149 I 4.7522 8.7298 125.3323 58.6649 41.1361 173.8447 150 P 4.3020 0.0000 0.0000 62.4180 31.8299 175.8347 151 E 4.0496 8.7018 123.5639 56.1244 30.0376 176.0723 152 F 5.0130 8.6634 127.6083 56.4886 40.2024 174.2767 153 A 4.4154 8.6049 135.0000 52.0403 18.5932 177.6393 154 V 4.0830 7.1129 119.5547 61.7463 33.5002 175.8094 155 S 4.5152 7.7375 115.1363 55.8757 67.2073 175.2753 156 S 4.1191 8.6434 118.9533 61.9379 62.5746 177.2095 157 S 4.0436 7.9545 116.3414 61.2651 62.6551 176.0072 158 L 3.8732 7.6489 123.8919 57.9282 41.7533 179.0277 159 L 3.9110 7.8402 118.8652 57.6804 41.5153 179.7319 160 R 3.5290 7.9499 118.0326 59.0634 29.8880 178.3605 161 E 3.9014 8.1895 119.1819 59.5634 29.5126 179.0938 162 R 3.8779 8.1634 117.8629 59.7118 30.2214 178.5602 163 Y 4.1382 8.2463 116.7152 61.1680 37.6259 178.9505 164 K 4.3173 8.0932 119.7426 59.1809 32.3505 177.7365 165 E 4.3801 7.6845 116.4640 54.8440 30.0943 176.4040 166 K 3.8293 7.6315 117.3193 57.4082 30.3935 174.6393 167 K 4.5143 7.5485 117.4700 54.2768 34.3638 175.5038 168 T 3.8867 8.2909 118.4213 62.9914 67.8773 173.3761 169 C 4.7366 8.2962 122.7615 58.8769 29.6899 173.6115 170 K 3.9552 7.4371 121.6433 58.3527 31.8750 176.7456 171 Y 4.1598 8.6674 122.3149 58.2174 36.0676 169.7948 172 L 4.6685 8.2604 119.7975 56.0375 42.5675 176.4015 173 L 4.8217 7.6586 115.7472 52.0623 43.5788 174.3236 174 P 4.3455 0.0000 0.0000 62.0521 32.9072 177.4751 175 E 4.1723 9.0072 121.3153 59.7620 29.4359 179.9288 176 K 4.0208 8.0345 117.9441 59.4445 32.0633 179.4057 177 V 3.6419 7.6021 118.1204 65.7927 31.4776 177.8650 178 Q 4.2061 8.1901 119.3300 58.4284 28.5758 179.0069 179 V 3.5839 8.1751 119.4604 66.1776 31.4251 177.1943 180 Y 3.9309 7.9742 119.1179 60.8670 38.5894 178.2797 181 I 3.6023 8.0809 120.6710 64.5030 37.0572 178.3921 182 E 3.9390 8.3180 119.4905 59.3555 29.0985 179.4078 183 R 3.8544 8.1811 118.2170 58.4790 30.1650 177.2721 184 N 4.6328 7.7532 113.6111 51.3730 39.2173 174.7587 185 G 3.9227 7.4360 108.3285 46.3197 0.0000 174.4026 186 L 3.7703 7.4450 117.8465 55.2124 42.2792 177.2245 187 Y 4.0217 7.9174 116.5001 59.2023 35.5581 170.2651 188 E 4.3551 7.6300 124.9346 56.5722 29.7873 175.9567 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.41 0.00 2.16 1.95 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 2 R 7.20 3.71 0.00 1.81 1.75 0.00 3.20 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.66 0.00 3 K 9.35 4.59 0.00 1.60 1.56 0.00 1.54 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.63 1.58 7.81 4 I 8.10 4.66 0.93 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.38 -0.43 0.00 0.00 5 G 8.95 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.85 5.00 1.68 0.00 0.00 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 1.24 1.07 0.81 0.00 0.00 7 I 8.64 4.34 1.57 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.32 0.10 0.00 0.00 8 G 8.63 4.83 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 0.00 0.00 0.00 9 G 7.92 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 0.00 0.00 0.00 10 T 8.17 3.90 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 1.18 0.00 0.00 11 F 7.42 3.79 0.00 3.31 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 12 D 7.82 5.19 0.00 2.62 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 13 P 0.00 5.10 0.00 2.33 2.28 0.00 3.47 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 14 P 0.00 4.70 0.00 2.17 2.14 0.00 3.80 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 15 H 8.26 4.82 0.00 3.51 3.43 0.00 5.65 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.96 4.64 0.00 3.47 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 17 G 8.23 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 0.00 0.00 0.00 18 H 8.08 4.35 0.00 3.60 3.80 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.18 4.19 0.00 2.05 2.06 1.02 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.54 4.14 0.00 2.09 2.15 1.03 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.95 3.74 2.06 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 1.53 0.57 0.93 0.00 0.00 22 A 8.16 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.79 4.66 0.00 3.21 3.20 0.00 0.00 7.26 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 24 E 8.58 4.10 0.00 2.25 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 2.65 2.57 0.00 25 V 8.14 3.61 2.14 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 1.09 0.00 0.00 0.98 0.00 0.00 26 Y 8.22 4.24 0.00 3.27 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.50 4.01 0.00 3.31 3.31 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.41 4.00 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 29 L 7.93 4.33 0.00 1.62 1.62 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 30 N 7.33 3.87 0.00 2.68 2.73 0.00 0.00 7.15 7.67 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 31 L 7.44 4.21 0.00 1.83 1.73 0.96 0.34 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 32 E 9.02 4.38 0.00 1.93 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 2.37 2.35 0.00 33 E 7.99 5.16 0.00 1.96 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 2.47 2.44 0.00 34 V 9.30 4.77 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 0.61 0.00 0.00 1.05 0.00 0.00 35 W 9.18 5.55 0.00 3.23 3.01 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 36 F 9.94 4.52 0.00 2.64 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 0.00 0.00 0.00 0.00 37 L 9.16 5.27 0.00 1.82 1.66 1.06 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 5.23 0.00 2.06 2.14 0.00 4.01 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 39 N 8.87 4.93 0.00 2.62 2.81 0.00 0.00 6.95 8.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.46 4.39 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.50 0.00 0.00 0.00 0.00 0.00 2.56 2.29 0.00 *50 I 8.11 3.98 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 1.44 0.49 0.93 0.00 0.00 51 T 8.46 4.01 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 52 S 8.40 4.34 0.00 4.04 3.98 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 53 V 8.33 3.59 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 1.09 0.00 0.00 0.94 0.00 0.00 54 E 8.11 3.91 0.00 2.07 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 2.52 2.40 0.00 55 S 8.32 4.43 0.00 4.06 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 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0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 135 G 9.18 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 7.62 4.73 0.00 2.90 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 0.00 137 K 7.43 4.25 0.00 1.43 1.46 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.24 1.29 7.81 138 L 8.02 4.12 0.00 1.58 1.58 0.97 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.19 4.39 0.00 1.75 1.80 0.00 3.33 0.00 0.00 3.07 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 140 T 7.74 4.31 4.16 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 1.20 0.00 0.00 141 P 0.00 4.18 0.00 1.23 1.76 0.00 3.24 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.83 0.00 142 Y 7.15 4.57 0.00 3.06 2.75 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 0.00 143 P 0.00 4.82 0.00 2.22 2.14 0.00 3.89 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 144 I 7.87 4.75 2.12 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 1.36 0.77 0.97 0.00 0.00 145 T 8.79 4.56 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 1.25 0.00 0.00 146 T 8.46 5.10 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 1.24 0.00 0.00 147 V 8.67 4.45 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 1.03 0.00 0.00 0.97 0.00 0.00 148 E 8.89 4.98 0.00 1.93 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 2.33 2.37 0.00 149 I 8.73 4.75 1.94 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 1.30 0.82 1.00 0.00 0.00 150 P 0.00 4.30 0.00 2.03 1.98 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 151 E 8.70 4.05 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 152 F 8.66 5.01 0.00 2.90 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 0.00 153 A 8.60 4.42 1.31 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 0.00 0.00 154 V 7.11 4.08 1.55 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 -0.30 0.00 0.00 0.55 0.00 0.00 155 S 7.74 4.52 0.00 3.95 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 0.00 156 S 8.64 4.12 0.00 3.86 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 0.00 157 S 7.95 4.04 0.00 4.01 4.09 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 0.00 158 L 7.65 3.87 0.00 1.67 1.80 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 159 L 7.84 3.91 0.00 1.88 1.77 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 160 R 7.95 3.53 0.00 1.85 1.83 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.48 0.00 161 E 8.19 3.90 0.00 2.04 2.20 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 2.30 2.37 0.00 162 R 8.16 3.88 0.00 1.86 1.79 0.00 3.14 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 163 Y 8.25 4.14 0.00 3.35 3.14 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 0.00 164 K 8.09 4.32 0.00 1.97 2.04 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.54 7.81 165 E 7.68 4.38 0.00 2.03 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 2.32 2.54 0.00 166 K 7.63 3.83 0.00 1.90 1.86 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.40 7.81 167 K 7.55 4.51 0.00 1.68 1.70 0.00 1.80 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.32 7.81 168 T 8.29 3.89 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 1.21 0.00 0.00 169 C 8.30 4.74 0.00 2.74 2.74 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 0.00 170 K 7.44 3.96 0.00 1.55 1.59 0.00 1.65 0.00 0.00 1.45 0.00 0.00 2.33 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 0.99 7.81 171 Y 8.67 4.16 0.00 3.28 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 0.00 172 L 8.26 4.67 0.00 1.90 1.71 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 173 L 7.66 4.82 0.00 1.76 1.62 1.16 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 174 P 0.00 4.35 0.00 2.03 1.89 0.00 3.61 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.17 0.00 175 E 9.01 4.17 0.00 2.05 2.05 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 2.49 2.52 0.00 176 K 8.03 4.02 0.00 1.79 1.86 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.52 7.81 177 V 7.60 3.64 2.20 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 1.18 0.00 0.00 0.87 0.00 0.00 178 Q 8.19 4.21 0.00 2.43 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.56 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 179 V 8.18 3.58 2.27 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 1.09 0.00 0.00 1.01 0.00 0.00 180 Y 7.97 3.93 0.00 3.21 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 0.00 181 I 8.08 3.60 1.85 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 1.53 0.67 0.30 0.00 0.00 182 E 8.32 3.94 0.00 2.01 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 2.43 2.39 0.00 183 R 8.18 3.85 0.00 1.70 1.96 0.00 3.18 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 184 N 7.75 4.63 0.00 2.30 2.51 0.00 0.00 7.05 7.22 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 0.00 185 G 7.44 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 0.00 0.00 0.00 186 L 7.44 3.77 0.00 1.05 0.18 0.80 0.68 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 0.00 187 Y 7.92 4.02 0.00 3.16 3.02 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 0.00 188 E 7.63 4.36 0.00 1.96 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 2.33 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.