NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2584 8.1733 120.1542 56.2666 35.3115 174.5239 4 Q 4.7475 8.1951 120.7001 54.3362 30.0845 169.9994 5 V 4.6377 9.6652 124.2798 61.1801 35.9408 173.3777 6 E 5.1189 8.9302 126.0850 54.6952 32.1497 174.9930 7 I 4.9398 8.2960 124.2147 59.4067 41.2360 174.3333 8 F 5.4414 9.4130 125.5413 55.9481 41.6438 174.4071 9 T 5.3375 8.6552 113.7974 60.3586 71.7689 172.8132 10 D 4.7364 9.0243 120.0263 53.9316 45.1601 174.3690 11 G 4.7711 8.6288 109.7945 45.6099 0.0000 171.7440 12 S 5.0358 8.8899 114.2538 57.2800 66.7765 173.1143 13 A 5.1340 8.4068 121.6750 50.3036 21.3048 176.2371 14 L 4.3373 9.4292 120.3748 55.4081 42.4165 176.4909 15 G 4.1750 7.5918 106.6141 44.6748 0.0000 172.8849 16 N 5.0043 8.1341 117.0410 51.1912 38.7291 171.7915 17 P 4.6633 0.0000 0.0000 62.0080 33.6028 175.2043 18 G 4.1342 8.2793 106.3916 44.8746 0.0000 171.0403 19 P 4.9192 0.0000 0.0000 62.7513 32.7410 175.7337 20 G 4.2694 9.1231 108.1080 46.0044 0.0000 171.0128 21 G 4.6782 8.8449 105.8437 45.7395 0.0000 171.8872 22 Y 5.5411 8.4044 117.2788 55.1527 42.2214 174.6393 23 G 4.6843 9.5792 106.7264 44.6990 0.0000 171.4510 24 A 5.4983 9.6928 126.0138 50.2353 22.7616 174.6854 25 I 5.0586 9.1631 123.4335 59.4942 40.4371 174.5499 26 L 5.3166 9.4314 127.2799 53.0754 44.5775 175.7724 27 R 5.1589 9.2983 122.2514 54.6433 34.3576 173.5789 28 Y 4.8458 8.8207 124.8223 56.2315 41.6063 174.7400 29 R 3.5820 9.5536 124.9287 56.5846 28.5956 174.8743 30 G 3.7094 7.6117 106.0388 44.9645 0.0000 174.7789 31 R 3.8608 7.8739 120.5990 56.1024 30.6197 174.7077 32 E 5.4790 8.5892 124.1950 54.2854 32.9019 174.5375 33 K 4.6771 9.1933 124.8021 55.3254 36.1245 174.9192 34 T 5.1227 7.9959 115.6152 60.4660 70.8926 172.7956 35 F 5.0851 9.4508 124.6304 55.9857 43.3112 173.9325 36 S 4.9800 8.8467 115.5871 57.4553 66.2325 172.9756 37 A 4.2813 7.3457 119.9408 50.9585 22.0830 175.3560 38 G 4.3421 8.2189 107.1806 44.5610 0.0000 171.7466 39 Y 5.0166 9.1091 119.9583 55.9067 41.0239 176.8843 40 T 3.9202 9.2206 114.4887 64.5350 70.0982 174.2866 41 R 4.8583 7.8173 122.1260 55.3144 32.9645 173.7495 42 T 3.8444 8.5430 121.6927 61.6467 71.2551 171.8800 43 T 4.7706 7.7491 109.3109 58.9839 72.2219 174.2084 44 N 4.2213 8.6183 119.8840 56.9107 38.9496 176.5383 45 N 3.9705 7.8832 117.2735 56.4190 38.5514 177.3989 46 R 3.8253 7.6094 118.9263 59.5591 30.0899 179.1379 47 M 4.2287 8.0704 118.4206 58.2346 31.3712 178.7157 48 E 4.0290 8.4409 119.2048 59.1421 29.6386 179.1520 49 L 3.8632 7.9786 120.4689 57.9990 42.1007 178.8523 50 K 3.7167 8.4898 119.7110 59.2360 31.9951 178.5040 51 A 3.6233 8.0876 120.9231 55.0496 18.3407 179.5320 52 A 3.9315 7.6451 118.3398 55.1881 18.3947 179.7331 53 I 3.5793 7.6572 118.2750 64.8736 37.0413 178.6456 54 E 3.8952 7.9668 118.1573 59.0081 29.3041 179.4732 55 G 3.6311 7.9020 106.0971 47.7461 0.0000 175.8841 56 L 3.9148 7.8437 121.6142 57.2973 41.4511 179.5696 57 K 4.0736 7.9977 116.8721 58.5147 31.9918 178.7049 58 A 3.7827 7.1132 120.5216 53.1658 18.5981 177.8660 59 L 4.1121 7.2084 117.6249 54.7811 42.1686 177.2121 60 K 4.4871 8.4899 120.3615 56.3718 33.4791 176.0259 61 E 4.7351 7.6656 115.1284 53.4358 32.5413 173.0198 62 P 4.4922 0.0000 0.0000 63.6853 32.0256 175.3976 63 A 4.6647 8.5894 123.4383 50.6095 23.4025 174.4956 64 E 4.6139 9.0426 119.6278 55.5970 30.9674 175.9772 65 V 4.6630 8.9600 125.1472 61.0267 34.7264 174.0041 66 D 4.9526 8.7942 127.4840 52.6230 43.0752 174.6657 67 L 4.6987 8.0145 127.1402 53.4322 44.0295 174.5124 68 Y 4.9938 8.9956 125.0298 56.7156 40.1056 174.8510 69 T 5.1772 8.7662 118.1090 60.7383 71.4121 173.3228 70 D 5.3490 8.6938 125.6524 52.6324 40.0784 176.6541 71 S 4.2550 7.9869 115.9478 59.2262 63.1476 174.3030 72 H 4.1717 8.9630 129.1457 59.0809 29.8982 176.4224 73 Y 4.2340 7.5894 119.8208 60.7892 38.6609 178.1794 74 L 4.0934 8.1306 119.8161 57.5343 41.6869 179.1421 75 K 2.0000 7.4678 119.4920 58.7117 31.9755 178.5112 76 K 3.4262 7.4212 119.1736 59.3351 31.9700 178.4713 77 A 2.5800 6.7751 120.3366 54.5326 17.9304 179.5640 78 F 3.7352 7.9403 116.3541 60.2945 38.9424 178.3932 79 T 3.8468 7.7368 108.2870 64.3781 68.6826 174.9244 80 E 4.3175 7.8966 119.0832 55.1487 29.9635 176.0855 81 G 3.9126 7.6306 107.6519 46.3271 0.0000 176.5388 82 W 3.8788 8.3075 120.4333 59.4892 29.5381 178.3521 83 L 3.4911 7.4463 116.4905 57.6307 41.0333 178.4452 84 E 3.8447 7.8392 117.3056 58.6446 30.2856 177.1971 85 G 3.5859 7.2273 109.4781 44.3848 0.0000 175.7815 *91 W 4.4605 7.3668 116.8534 55.9096 29.8455 174.4822 92 R 4.6437 7.5578 118.9219 54.7956 32.9283 174.7549 93 T 3.9485 9.0017 115.8710 60.8778 69.6232 174.9142 94 A 3.8783 8.4166 124.4575 55.0124 18.1668 178.0395 95 E 4.4467 8.0300 111.6913 56.2043 30.1595 175.9255 96 G 3.8962 7.9357 105.5022 47.5829 0.0000 174.1741 97 K 4.5880 7.9437 119.5087 52.9857 34.5236 173.4201 98 P 4.4882 0.0000 0.0000 62.7701 31.4902 175.4461 99 V 3.2386 8.1470 118.8447 63.1182 30.3911 173.5034 100 K 3.9217 10.0284 114.2003 55.9828 34.3373 174.8572 101 N 4.5725 9.5644 124.2483 53.6962 36.2278 176.6591 102 R 4.5508 7.7471 116.1537 59.4018 28.7592 177.6564 103 D 4.2778 8.1682 119.6324 56.6152 39.2427 178.5523 104 L 4.0384 7.8506 119.9341 56.8484 41.7802 179.1639 105 W 4.3955 8.2698 119.1265 59.8140 29.0317 178.1072 106 E 4.0585 8.7246 119.3305 59.2446 29.0256 178.7353 107 A 4.0196 7.8945 120.4841 55.0191 18.4344 179.4141 108 L 3.9965 8.4182 119.3577 58.2383 42.2862 179.0885 109 L 4.1813 8.2960 119.0081 57.9757 41.3779 179.6084 110 L 4.0436 7.8569 117.5392 57.7712 41.6576 179.1287 111 A 4.1476 8.0608 119.7844 55.3479 18.4851 179.2361 112 M 4.2210 8.5094 117.0214 57.7616 31.8741 178.5969 113 A 3.9927 7.6334 121.3829 54.9963 18.4816 177.1294 114 P 4.3209 0.0000 0.0000 64.3402 31.6790 175.5789 115 H 5.0501 7.9869 114.6525 54.0056 32.4183 174.3888 116 R 4.3995 8.4981 119.0725 55.0253 30.6536 175.1662 117 V 4.3871 8.1257 123.8391 61.2496 33.1473 174.9155 118 R 4.4614 8.8986 127.4062 54.4034 32.2305 175.3362 119 F 4.1327 8.4786 122.8453 56.8885 40.6857 175.7988 120 H 4.3502 8.1581 118.3232 53.9871 31.5827 172.3327 121 F 5.0202 8.3721 122.5350 56.7176 39.5164 176.0728 122 V 4.2290 8.5402 117.8953 59.9908 33.3997 177.8126 123 K 4.0588 8.9737 122.0915 59.0306 32.6533 177.6817 124 G 3.9993 7.4123 107.1597 45.4483 0.0000 171.9327 125 H 4.4368 8.9440 114.9235 58.1498 29.2589 175.3141 126 A 4.0862 8.0837 122.0557 53.9864 18.1553 177.4000 127 G 3.8671 9.2275 110.5371 46.2794 0.0000 173.6994 128 H 4.8603 8.4190 116.7235 52.0903 29.6012 172.0995 129 P 4.1911 0.0000 0.0000 66.0385 31.3865 178.5766 130 E 3.7097 7.5919 117.6356 59.0137 29.2312 178.8113 131 N 4.4804 7.8665 116.1893 55.9958 38.6975 176.9635 132 E 3.5870 7.9513 120.8501 59.1806 29.7237 179.1208 133 R 3.9069 8.0465 117.9988 59.0418 30.0886 178.8832 134 A 4.0712 8.1002 120.7928 55.0328 18.3516 179.1745 135 D 4.3208 8.2100 116.6515 57.5904 41.2992 178.3474 136 E 3.9849 8.1668 119.0996 59.3389 29.4155 179.3256 137 L 3.9530 8.0997 118.7867 57.7219 41.6905 179.4435 138 A 4.1281 8.1552 120.6366 55.3342 18.1297 179.9437 139 R 3.8814 7.9798 115.2290 59.2373 30.4652 178.8647 140 A 4.0987 8.2265 120.4567 55.1486 18.3796 179.5569 141 A 3.8922 8.1827 119.1255 55.1805 18.2042 179.6295 142 A 4.2172 7.8382 118.0819 54.9674 18.5085 179.2183 143 M 4.2520 7.6126 115.7455 56.8905 33.4063 176.3477 144 N 5.0254 7.6480 115.2393 51.0144 39.4228 172.6000 145 P 4.4494 0.0000 0.0000 62.7076 32.7705 177.1338 146 T 4.5414 8.0847 108.7457 60.7503 70.5497 173.8119 147 L 4.4548 7.2690 122.5556 53.5154 42.9847 175.2675 148 E 4.8357 8.5384 121.0959 55.4731 31.0269 176.7676 149 D 4.7884 8.4847 123.6103 52.3944 40.0333 176.2487 150 T 3.9462 8.5410 120.2122 66.3097 68.7918 176.0502 151 G 3.9788 8.0166 106.9005 47.1227 0.0000 172.4144 152 Y 4.3315 8.1440 120.9616 59.1030 38.4704 175.8078 153 Q 4.5887 8.6677 125.5615 57.0345 29.7922 173.8126 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 3 K 8.17 4.26 0.00 1.82 2.12 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.49 7.81 4 Q 8.20 4.75 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 5 V 9.67 4.64 1.99 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 1.03 0.00 0.00 0.75 0.00 0.00 6 E 8.93 5.12 0.00 2.03 1.48 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 2.30 2.32 0.00 7 I 8.30 4.94 1.68 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 1.16 0.69 0.88 0.00 0.00 8 F 9.41 5.44 0.00 2.96 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.66 5.34 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 1.27 0.00 0.00 10 D 9.02 4.74 0.00 2.86 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 11 G 8.63 4.77 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 12 S 8.89 5.04 0.00 3.91 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 13 A 8.41 5.13 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 9.43 4.34 0.00 1.51 1.72 0.97 0.88 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 15 G 7.59 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.13 5.00 0.00 2.67 2.67 0.00 0.00 6.96 7.69 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 17 P 0.00 4.66 0.00 2.16 2.16 0.00 3.93 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.21 0.00 18 G 8.28 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 19 P 0.00 4.92 0.00 2.31 2.20 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.82 0.00 20 G 9.12 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 21 G 8.84 4.68 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 0.00 0.00 0.00 22 Y 8.40 5.54 0.00 3.11 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 23 G 9.58 4.68 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 0.00 0.00 0.00 24 A 9.69 5.50 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 25 I 9.16 5.06 2.12 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 1.30 0.97 1.02 0.00 0.00 26 L 9.43 5.32 0.00 1.70 1.67 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.30 5.16 0.00 1.89 1.88 0.00 3.09 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 28 Y 8.82 4.85 0.00 3.01 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 9.55 3.58 0.00 0.75 1.30 0.00 2.92 0.00 0.00 3.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.36 0.00 30 G 7.61 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 31 R 7.87 3.86 0.00 1.88 1.94 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 1.77 1.69 0.00 32 E 8.59 5.48 0.00 1.98 1.75 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 2.19 2.47 0.00 33 K 9.19 4.68 0.00 1.57 1.83 0.00 1.42 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.64 1.80 7.81 34 T 8.00 5.12 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 35 F 9.45 5.09 0.00 3.13 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.85 4.98 0.00 3.73 3.72 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 37 A 7.35 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.22 4.34 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 0.00 39 Y 9.11 5.02 0.00 2.92 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 40 T 9.22 3.92 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 41 R 7.82 4.86 0.00 1.86 1.95 0.00 3.39 0.00 0.00 3.37 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 42 T 8.54 3.84 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 43 T 7.75 4.77 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 44 N 8.62 4.22 0.00 2.72 2.79 0.00 0.00 6.88 6.71 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 45 N 7.88 3.97 0.00 2.33 1.46 0.00 0.00 7.10 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 46 R 7.61 3.83 0.00 1.85 1.81 0.00 3.39 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 47 M 8.07 4.23 0.00 2.32 2.11 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.77 0.00 48 E 8.44 4.03 0.00 2.23 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 2.44 2.58 0.00 49 L 7.98 3.86 0.00 1.76 1.66 0.35 -0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.49 3.72 0.00 1.80 1.66 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.33 7.81 51 A 8.09 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.65 3.93 1.42 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 0.00 0.00 53 I 7.66 3.58 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.65 0.84 0.00 0.00 54 E 7.97 3.90 0.00 1.30 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 2.05 2.05 0.00 55 G 7.90 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 56 L 7.84 3.91 0.00 1.83 1.84 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.00 4.07 0.00 1.72 1.79 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.52 7.81 58 A 7.11 3.78 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.21 4.11 0.00 1.69 1.53 0.47 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.49 4.49 0.00 1.72 1.83 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.41 7.81 61 E 7.67 4.74 0.00 1.98 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 2.11 2.26 0.00 62 P 0.00 4.49 0.00 1.94 2.17 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 63 A 8.59 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 9.04 4.61 0.00 2.03 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 2.28 2.23 0.00 65 V 8.96 4.66 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 0.73 0.00 0.00 0.74 0.00 0.00 66 D 8.79 4.95 0.00 2.64 2.52 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 0.00 0.00 0.00 67 L 8.01 4.70 0.00 1.17 0.68 0.68 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 9.00 4.99 0.00 3.02 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 69 T 8.77 5.18 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 1.39 0.00 0.00 70 D 8.69 5.35 0.00 3.08 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.99 4.26 0.00 3.99 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 72 H 8.96 4.17 0.00 3.26 3.31 0.00 5.73 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 73 Y 7.59 4.23 0.00 3.02 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 74 L 8.13 4.09 0.00 1.88 1.86 1.08 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.47 2.00 0.00 1.25 1.54 0.00 1.55 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.02 0.96 7.81 76 K 7.42 3.43 0.00 1.51 1.32 0.00 1.33 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.81 1.24 7.81 77 A 6.78 2.58 0.53 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 0.00 0.00 78 F 7.94 3.74 0.00 2.91 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 79 T 7.74 3.85 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 80 E 7.90 4.32 0.00 2.22 2.21 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 2.29 2.29 0.00 81 G 7.63 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 82 W 8.31 3.88 0.00 2.72 2.73 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 83 L 7.45 3.49 0.00 1.23 1.46 0.51 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.84 3.84 0.00 1.81 1.98 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 2.20 2.23 0.00 85 G 7.23 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *91 W 7.37 4.46 0.00 3.28 3.32 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 92 R 7.56 4.64 0.00 1.75 1.72 0.00 3.24 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 93 T 9.00 3.95 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 1.26 0.00 0.00 94 A 8.42 3.88 1.20 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 95 E 8.03 4.45 0.00 2.05 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 2.18 2.26 0.00 96 G 7.94 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 97 K 7.94 4.59 0.00 1.75 1.63 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.38 7.81 98 P 0.00 4.49 0.00 2.12 2.04 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 99 V 8.15 3.24 2.38 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 0.93 0.00 0.00 1.17 0.00 0.00 100 K 10.03 3.92 0.00 2.09 2.19 0.00 2.22 0.00 0.00 1.95 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.35 7.81 101 N 9.56 4.57 0.00 3.26 2.92 0.00 0.00 7.36 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 0.00 102 R 7.75 4.55 0.00 1.94 2.54 0.00 2.86 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 103 D 8.17 4.28 0.00 2.87 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 0.00 104 L 7.85 4.04 0.00 1.60 1.55 0.79 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 105 W 8.27 4.40 0.00 4.04 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.72 4.06 0.00 1.81 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 2.27 2.24 0.00 107 A 7.89 4.02 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 0.00 108 L 8.42 4.00 0.00 1.82 2.10 1.11 0.97 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 0.00 109 L 8.30 4.18 0.00 2.09 1.85 1.26 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.86 4.04 0.00 1.82 1.75 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.06 4.15 1.38 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 0.00 0.00 112 M 8.51 4.22 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 2.72 0.00 113 A 7.63 3.99 1.40 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 0.00 0.00 114 P 0.00 4.32 0.00 1.63 1.98 0.00 3.59 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 1.92 2.03 0.00 115 H 7.99 5.05 0.00 2.95 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 8.50 4.40 0.00 1.76 1.86 0.00 3.10 0.00 0.00 3.09 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 117 V 8.13 4.39 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 -0.07 0.00 0.00 0.85 0.00 0.00 118 R 8.90 4.46 0.00 1.61 1.57 0.00 3.32 0.00 0.00 3.12 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.00 119 F 8.48 4.13 0.00 2.36 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 0.00 0.00 0.00 0.00 120 H 8.16 4.35 0.00 2.06 2.80 0.00 5.61 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 8.37 5.02 0.00 2.94 2.99 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 0.00 122 V 8.54 4.23 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.98 0.00 0.00 123 K 8.97 4.06 0.00 1.82 1.92 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.50 7.81 124 G 7.41 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 H 8.94 4.44 0.00 3.24 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.08 4.09 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 9.23 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 0.00 128 H 8.42 4.86 0.00 3.33 3.39 0.00 5.83 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.19 0.00 2.12 2.23 0.00 3.56 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 1.87 1.95 0.00 130 E 7.59 3.71 0.00 1.16 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 0.00 1.47 1.94 0.00 131 N 7.87 4.48 0.00 3.05 2.96 0.00 0.00 6.79 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 0.00 132 E 7.95 3.59 0.00 1.99 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 2.25 2.28 0.00 133 R 8.05 3.91 0.00 1.98 1.92 0.00 3.13 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.83 0.00 134 A 8.10 4.07 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 0.00 0.00 0.00 0.00 0.00 135 D 8.21 4.32 0.00 3.08 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 0.00 136 E 8.17 3.98 0.00 2.22 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 2.32 2.58 0.00 137 L 8.10 3.95 0.00 1.93 1.72 0.95 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.16 4.13 1.47 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 0.00 139 R 7.98 3.88 0.00 1.94 2.01 0.00 3.31 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 140 A 8.23 4.10 1.36 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 0.00 141 A 8.18 3.89 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.84 4.22 1.35 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 0.00 0.00 0.00 143 M 7.61 4.25 0.00 2.01 2.27 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.57 0.00 144 N 7.65 5.03 0.00 2.59 2.66 0.00 0.00 7.00 9.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 P 0.00 4.45 0.00 2.23 2.07 0.00 3.69 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 1.95 0.00 146 T 8.08 4.54 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 1.17 0.00 0.00 147 L 7.27 4.45 0.00 1.11 1.46 0.56 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.54 4.84 0.00 2.04 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 2.31 2.33 0.00 149 D 8.48 4.79 0.00 2.58 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 0.00 150 T 8.54 3.95 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 151 G 8.02 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 0.00 0.00 0.00 152 Y 8.14 4.33 0.00 3.05 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 0.00 153 Q 8.67 4.59 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.42 0.00 0.00 0.00 0.00 0.00 2.45 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.