NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2006 8.2644 123.5829 53.0166 20.1278 176.0795 2 L 3.8297 8.8582 130.0904 56.3425 42.2886 174.9769 3 R 3.8507 8.6055 118.5625 59.4871 30.6129 178.2324 4 D 4.3741 7.9503 117.9875 57.0516 40.7698 178.7597 5 R 3.8960 7.9023 117.5460 59.1676 30.3936 178.4771 6 V 3.5060 7.2877 117.3076 64.8476 31.3702 178.2157 7 K 3.9858 7.5923 117.2381 58.9494 32.1489 178.7034 8 K 4.2221 7.7141 117.2463 56.4024 32.0040 176.3976 9 L 4.6007 7.0420 122.2769 54.7879 42.5419 176.2057 10 K 4.6509 8.9781 123.7464 56.0577 35.3266 175.6783 11 L 4.9792 7.7580 121.5283 53.3169 45.8736 173.9521 12 L 5.0975 9.3350 128.2015 53.5503 44.7255 175.9449 13 I 4.9234 8.6604 127.2175 59.1727 40.4320 174.2415 *15 D 4.8368 8.2735 121.7986 54.9593 41.5156 175.5816 16 I 4.1296 7.5737 118.6055 63.2941 38.5506 175.6257 17 D 4.5922 7.7950 122.3968 56.4010 41.0554 177.0110 18 G 4.0079 8.8863 112.9239 45.0756 0.0000 173.7233 19 V 4.0096 7.6988 116.2852 64.4040 33.3421 176.9849 20 L 4.4459 8.1456 117.1587 55.6163 42.2720 176.5718 21 T 4.6936 7.4014 114.6506 61.2948 72.1140 173.9687 22 D 5.1581 7.9832 120.2801 53.7942 39.6291 177.3209 23 G 3.9930 8.2178 108.5576 45.1753 0.0000 174.0780 24 K 4.1408 7.9908 119.0197 56.0644 32.6812 176.4464 25 L 4.7932 8.1899 121.3505 53.3115 44.0843 175.9902 26 Y 4.4029 8.9523 123.1221 57.4339 38.7950 174.0646 27 Y 4.7187 8.7081 122.4529 56.8724 39.9492 175.9830 28 T 4.6238 8.5532 120.9632 61.5062 71.2929 174.7048 29 E 3.9406 8.7930 121.8519 59.4916 29.4852 177.2261 30 H 4.9407 8.1467 114.7100 55.3035 30.0344 175.2260 31 G 3.6342 7.8123 108.1066 44.3483 0.0000 173.8166 32 E 4.0068 7.6148 118.4820 55.4885 27.9219 176.8957 33 T 4.3252 7.9751 121.0918 63.2552 70.0040 175.2612 34 I 4.4660 7.5541 121.2052 59.0055 39.6690 174.7087 35 K 4.2416 8.3018 124.6380 54.4201 34.7266 175.1183 36 V 3.9743 7.8743 125.7180 61.0650 32.7029 174.5726 37 F 4.8909 8.4490 125.1946 55.5417 42.2642 173.4723 38 N 5.0617 8.5062 118.9107 51.5147 41.0710 175.5252 39 V 3.7119 8.5156 125.5383 65.0263 31.2883 178.4996 40 L 4.1365 8.4524 119.7294 57.6752 41.4324 179.1087 41 D 4.5066 8.2794 119.1703 57.1600 40.5003 178.9185 42 G 3.6283 8.0655 105.8940 47.7737 0.0000 175.7408 43 I 3.8816 7.5446 120.8309 64.1382 37.1901 178.7045 44 G 3.6657 8.0983 106.6273 47.7624 0.0000 175.7856 45 I 3.7094 7.9663 122.1466 64.3167 37.1868 178.7485 46 K 4.3304 7.7548 120.3823 58.4409 31.6023 179.3060 47 L 3.9564 7.7569 120.2532 58.1410 42.2660 178.7221 48 L 4.1492 7.9650 118.9779 57.8659 41.0189 179.4981 49 Q 4.0250 8.0592 118.0410 58.5135 28.4723 179.4800 50 K 4.0759 7.9146 120.0640 56.1673 32.3247 177.3496 *52 G 3.7543 7.8906 103.5686 44.5980 0.0000 173.1041 53 I 4.5452 7.7289 121.1963 59.2699 38.4792 175.9839 54 T 4.0396 8.7424 125.2910 63.5314 69.5243 173.6319 55 L 5.1773 8.4241 124.7481 53.0782 43.7659 175.6651 56 A 5.0924 9.0369 124.3194 50.0990 23.1872 174.8372 57 V 4.4248 8.8853 119.5258 61.0808 34.6948 174.4733 58 I 5.2242 8.3598 127.6932 59.7930 40.0802 174.9221 59 S 4.5751 8.9535 121.3784 57.1138 65.5644 175.7088 60 G 4.0455 9.1184 116.3197 48.2042 0.0000 173.7601 61 R 4.3679 7.4772 118.6985 55.0021 30.9335 175.2950 62 D 5.0584 8.4963 122.0132 52.7003 43.7583 175.6026 63 S 4.6397 8.1526 116.6025 55.4574 66.8517 174.6691 64 A 3.9886 8.6528 130.5187 54.9341 18.2904 178.1642 65 P 4.2527 0.0000 0.0000 66.1160 30.9341 178.2518 66 L 4.1487 7.8656 119.2924 58.1283 42.1884 178.6210 67 I 3.6728 7.9077 119.8215 64.9291 37.0461 178.5913 68 T 3.8564 7.9733 116.3346 66.3958 68.3812 176.8508 69 R 3.6273 7.8573 120.5743 59.3242 30.0917 178.4944 70 L 3.8581 7.8445 118.7932 57.7388 41.6410 179.5813 71 K 3.8657 8.0380 118.3125 59.6495 31.8083 178.9836 72 E 3.9557 7.9227 118.0303 58.6653 29.5864 177.8407 73 L 4.4184 7.4805 116.0926 53.8658 42.0246 177.2131 74 G 3.7295 7.6840 107.0263 45.9510 0.0000 174.1751 75 V 3.8266 7.7426 119.8884 62.2167 30.7019 175.4277 76 E 4.3041 8.6076 126.8949 56.6985 30.8012 176.1467 77 E 4.3730 7.8970 120.2730 54.8388 29.7887 173.9215 78 I 4.8402 7.6796 125.2656 59.4534 40.8571 174.5913 79 Y 4.6108 9.5867 125.9926 56.4651 39.6738 174.9725 80 T 5.8025 7.8036 113.8561 59.6768 72.0708 172.8848 81 G 3.8773 8.8133 107.5853 44.2921 0.0000 174.0129 82 S 4.6546 8.1756 114.4261 56.9699 60.5826 171.9677 83 Y 4.8220 7.7338 120.5055 54.9938 40.8470 175.9851 84 K 4.2137 8.5625 122.5705 56.1911 33.0000 178.2329 85 K 3.9342 8.9802 123.3901 59.8226 32.0606 179.1342 86 L 4.0211 7.8619 119.9232 57.7797 41.9130 178.3121 87 E 3.9520 7.9929 119.6295 59.4761 29.5299 179.0483 88 I 3.3761 7.6220 119.1735 64.2695 37.3481 177.2518 89 Y 4.2578 8.1286 120.5816 61.2903 38.4930 178.4455 90 E 3.8580 8.1623 118.5122 58.8045 29.5548 179.4405 91 K 3.9248 7.5548 118.9756 59.3214 32.0840 179.3750 92 I 3.8440 7.7368 120.1432 64.3117 36.9706 178.2802 93 K 3.7228 7.8771 119.4280 59.5943 31.7838 178.6451 94 E 3.8611 7.9853 119.0530 59.3349 29.3311 178.7325 95 K 3.8133 7.9026 117.9403 59.1868 32.3168 177.3654 96 Y 4.3925 7.7961 113.1048 56.3642 39.3242 175.7373 97 S 3.7332 7.4336 115.5452 59.9768 60.9743 171.9262 98 L 4.9611 8.0712 118.1696 52.8764 44.7126 177.4543 99 K 4.4438 9.1777 121.5543 55.0573 33.7432 177.8171 100 D 4.9456 8.9709 119.1627 57.0782 40.7357 179.0325 101 E 4.2021 8.1446 114.8489 58.2576 30.2125 176.9693 102 E 5.2385 7.9747 118.3970 55.6739 30.1141 175.1721 103 I 5.1836 7.6221 119.9672 59.4305 41.3406 174.5425 104 G 4.6378 9.2459 112.2049 44.4857 0.0000 171.7133 105 F 5.0192 8.8076 123.4545 56.2301 42.6895 173.3244 106 I 4.4599 8.3431 128.1297 59.9344 38.1401 174.8205 107 G 4.6393 9.1068 117.8465 44.7710 0.0000 171.8338 108 D 4.6283 9.8906 116.2491 55.2029 45.0592 174.3968 109 D 5.0470 8.0198 116.2895 51.6016 44.4327 176.4980 110 V 3.7420 8.4028 115.1332 64.5320 31.0890 178.9251 111 V 3.7716 7.9502 116.9910 63.9260 31.7059 176.9503 112 D 4.4158 8.3139 119.3048 55.0469 40.8687 178.4019 113 I 3.6838 7.2653 120.5424 64.5264 37.2209 177.8253 114 E 4.0683 7.8649 117.4430 58.9191 29.5707 178.4975 115 V 3.2799 6.8244 116.2761 63.0143 30.8215 177.6086 *117 K 4.2702 8.0232 118.4430 55.3233 33.9005 176.9807 118 K 4.2927 7.6176 117.1885 57.9647 32.9716 177.9971 119 V 4.1595 7.4033 110.4482 61.0038 32.1888 176.3328 120 G 3.7578 9.1079 111.1164 48.7572 0.0000 173.7168 121 F 5.4473 8.3751 123.3132 55.4377 39.5677 170.5783 122 P 4.8911 0.0000 0.0000 61.7775 33.0262 175.8995 123 V 4.8462 9.1128 124.9411 60.7186 34.5799 173.9558 124 A 5.2518 8.5734 127.8371 49.9003 22.2263 176.2796 125 V 4.4372 7.9729 113.1084 60.6449 32.4454 177.6156 126 R 3.8458 8.1354 122.7594 59.3674 29.9646 177.5482 127 N 4.5177 8.0166 112.4998 53.4764 38.0995 175.1877 128 A 4.1435 7.4743 122.6598 52.1740 19.1389 178.1293 129 V 3.7180 7.8113 119.3333 63.0045 33.4793 177.1702 130 E 3.9105 8.8079 124.1153 59.4985 29.1764 179.1519 131 E 3.9367 8.0693 117.6099 59.1402 29.3451 178.8765 132 V 3.7637 7.6638 117.8689 65.8464 31.6639 178.0926 133 R 3.9375 8.1703 118.2197 59.1367 29.6767 179.1751 134 K 4.0391 8.2333 117.9381 59.4379 32.7153 178.6761 135 V 3.8289 7.3071 116.5570 62.7018 32.0429 175.5186 136 A 4.5106 6.9828 121.4865 51.9574 19.4947 177.5434 137 V 3.9717 8.5971 122.9322 64.9115 32.6653 175.8302 138 Y 4.8313 7.8897 121.0681 55.6341 41.9117 174.0699 139 I 4.8560 7.6540 127.0186 59.4169 39.4128 175.6897 140 T 4.1492 8.6119 117.7976 61.5018 69.5196 175.7192 141 Q 3.9287 10.2664 126.2644 58.5705 29.1468 176.7786 142 R 4.4995 7.9015 116.3131 54.5126 31.7565 175.9806 143 N 4.7022 8.3633 118.1267 52.3628 39.7883 174.9018 144 G 4.1921 8.7252 108.9131 46.5679 0.0000 175.2474 145 G 4.0446 8.4110 110.9745 45.5913 0.0000 173.9650 146 E 4.3093 7.9176 117.5685 55.8837 30.4504 176.0821 147 G 4.2340 8.4824 108.9668 45.0410 0.0000 175.9106 148 A 4.0470 8.5480 125.0120 54.8740 18.2819 180.0735 149 L 3.9345 7.9990 118.3470 58.2383 42.1960 178.9573 150 R 3.9124 8.1724 118.2994 59.3036 30.0385 177.7831 151 E 3.9595 8.0994 118.7400 59.5015 29.5601 179.1219 152 V 3.6405 7.8767 117.9132 65.6903 31.4991 177.9667 153 A 4.0102 8.1964 120.7961 55.0365 18.2134 179.4873 154 E 3.9127 8.5640 117.5307 59.3999 29.5926 179.1659 155 L 3.9647 8.0006 120.3223 58.3983 42.0754 179.0504 156 I 3.5921 7.9258 119.6890 64.5981 36.6144 177.8383 157 H 4.0713 8.4604 119.1289 59.2537 29.4701 177.1166 158 F 4.1679 8.2023 121.2059 61.3649 39.2566 176.8607 159 L 3.7801 7.9858 118.6407 57.4417 41.1525 179.6339 160 K 3.9800 7.8653 117.8259 59.1209 32.0143 178.1770 161 N 4.7849 7.3483 115.9519 53.6669 38.6035 175.6671 162 D 4.1254 7.3125 124.4031 53.4990 41.0248 178.9643 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 A 8.26 4.20 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 2 L 8.86 3.83 0.00 2.05 1.79 1.12 0.84 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 3 R 8.61 3.85 0.00 1.84 1.88 0.00 3.11 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 4 D 7.95 4.37 0.00 2.66 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 5 R 7.90 3.90 0.00 1.86 1.98 0.00 3.34 0.00 0.00 3.55 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 6 V 7.29 3.51 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 0.78 0.00 0.00 -0.10 0.00 0.00 7 K 7.59 3.99 0.00 1.86 1.80 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.49 7.81 8 K 7.71 4.22 0.00 1.94 1.93 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.51 7.81 9 L 7.04 4.60 0.00 1.63 1.61 1.12 0.88 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 10 K 8.98 4.65 0.00 1.71 1.76 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.34 7.81 11 L 7.76 4.98 0.00 1.54 1.39 0.34 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 12 L 9.33 5.10 0.00 1.76 1.47 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.66 4.92 1.77 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.53 0.85 0.00 0.00 *15 D 8.27 4.84 0.00 2.74 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 16 I 7.57 4.13 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 1.48 1.07 1.04 0.00 0.00 17 D 7.79 4.59 0.00 2.70 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 18 G 8.89 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 19 V 7.70 4.01 2.19 0.00 0.00 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 0.00 0.00 0.99 0.00 0.00 20 L 8.15 4.45 0.00 1.90 2.01 1.01 0.79 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 21 T 7.40 4.69 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 1.18 0.00 0.00 22 D 7.98 5.16 0.00 2.78 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 23 G 8.22 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 0.00 0.00 0.00 24 K 7.99 4.14 0.00 1.97 1.55 0.00 1.80 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.39 7.81 25 L 8.19 4.79 0.00 1.71 1.82 1.05 0.98 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 26 Y 8.95 4.40 0.00 3.03 2.94 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 0.00 0.00 0.00 0.00 27 Y 8.71 4.72 0.00 2.77 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 28 T 8.55 4.62 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 1.25 0.00 0.00 29 E 8.79 3.94 0.00 1.86 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.29 0.00 30 H 8.15 4.94 0.00 3.18 3.26 0.00 5.74 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 31 G 7.81 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 E 7.61 4.01 0.00 1.38 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 2.16 2.07 0.00 33 T 7.98 4.33 4.22 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 1.21 0.00 0.00 34 I 7.55 4.47 1.83 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 1.27 0.61 0.66 0.00 0.00 35 K 8.30 4.24 0.00 1.59 1.58 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.63 1.16 7.81 36 V 7.87 3.97 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 0.78 0.00 0.00 0.13 0.00 0.00 37 F 8.45 4.89 0.00 3.06 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 38 N 8.51 5.06 0.00 2.87 2.85 0.00 0.00 6.65 7.71 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 39 V 8.52 3.71 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 0.85 0.00 0.00 0.94 0.00 0.00 40 L 8.45 4.14 0.00 1.83 1.77 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.28 4.51 0.00 2.95 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 42 G 8.07 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 43 I 7.54 3.88 1.87 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 1.65 1.00 0.90 0.00 0.00 44 G 8.10 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.97 3.71 2.04 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.83 0.87 0.00 0.00 46 K 7.75 4.33 0.00 1.74 1.84 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.71 1.42 7.81 47 L 7.76 3.96 0.00 1.73 1.88 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.96 4.15 0.00 1.91 1.70 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.06 4.02 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.14 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 50 K 7.91 4.08 0.00 1.85 1.96 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.45 7.81 *52 G 7.89 3.75 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 0.00 0.00 0.00 53 I 7.73 4.55 2.03 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 1.22 0.67 0.91 0.00 0.00 54 T 8.74 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 1.03 0.00 0.00 55 L 8.42 5.18 0.00 1.48 1.54 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 56 A 9.04 5.09 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 57 V 8.89 4.42 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 58 I 8.36 5.22 2.04 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.90 1.03 0.00 0.00 59 S 8.95 4.58 0.00 3.95 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 60 G 9.12 4.05 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 0.00 61 R 7.48 4.37 0.00 2.11 1.92 0.00 3.29 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 62 D 8.50 5.06 0.00 2.64 2.55 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 63 S 8.15 4.64 0.00 3.89 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 64 A 8.65 3.99 1.32 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 0.00 0.00 65 P 0.00 4.25 0.00 2.37 2.38 0.00 3.64 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 2.10 2.15 0.00 66 L 7.87 4.15 0.00 1.94 1.99 1.15 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.91 3.67 2.01 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 1.83 0.81 0.90 0.00 0.00 68 T 7.97 3.86 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 1.19 0.00 0.00 69 R 7.86 3.63 0.00 1.63 1.58 0.00 2.84 0.00 0.00 2.82 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.97 0.00 70 L 7.84 3.86 0.00 1.66 1.64 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.04 3.87 0.00 1.99 1.83 0.00 1.52 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 72 E 7.92 3.96 0.00 2.03 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 0.00 2.27 2.31 0.00 73 L 7.48 4.42 0.00 1.60 1.62 0.75 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.68 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.74 3.83 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 0.77 0.00 0.00 0.88 0.00 0.00 76 E 8.61 4.30 0.00 2.00 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 2.22 2.25 0.00 77 E 7.90 4.37 0.00 2.18 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 2.52 2.73 0.00 78 I 7.68 4.84 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.77 0.91 0.00 0.00 79 Y 9.59 4.61 0.00 2.86 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 80 T 7.80 5.80 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 1.36 0.00 0.00 81 G 8.81 3.88 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 0.00 0.00 0.00 82 S 8.18 4.65 0.00 3.82 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 83 Y 7.73 4.82 0.00 3.02 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 84 K 8.56 4.21 0.00 1.89 1.78 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.50 7.81 85 K 8.98 3.93 0.00 1.94 1.78 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.57 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.58 1.72 7.81 86 L 7.86 4.02 0.00 1.74 1.69 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 87 E 7.99 3.95 0.00 2.11 2.18 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 2.37 2.42 0.00 88 I 7.62 3.38 1.85 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 1.33 0.49 0.16 0.00 0.00 89 Y 8.13 4.26 0.00 3.03 3.18 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 90 E 8.16 3.86 0.00 2.03 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 2.30 2.49 0.00 91 K 7.55 3.92 0.00 1.65 1.78 0.00 1.46 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.56 7.81 92 I 7.74 3.84 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.59 0.95 0.00 0.00 93 K 7.88 3.72 0.00 1.72 1.71 0.00 0.61 0.00 0.00 1.10 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.05 0.88 7.81 94 E 7.99 3.86 0.00 2.16 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 2.29 2.34 0.00 95 K 7.90 3.81 0.00 1.86 2.05 0.00 1.81 0.00 0.00 1.95 0.00 0.00 2.76 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.53 1.17 7.81 96 Y 7.80 4.39 0.00 3.00 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 97 S 7.43 3.73 0.00 3.94 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.83 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 2.25 2.26 0.00 115 V 6.82 3.28 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 *117 K 8.02 4.27 0.00 1.90 1.85 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.64 7.81 118 K 7.62 4.29 0.00 1.72 1.93 0.00 1.75 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.41 1.53 7.81 119 V 7.40 4.16 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 0.71 0.00 0.00 0.98 0.00 0.00 120 G 9.11 3.76 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 0.00 0.00 0.00 121 F 8.38 5.45 0.00 3.08 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 0.00 122 P 0.00 4.89 0.00 2.12 2.14 0.00 3.78 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 123 V 9.11 4.85 1.94 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 132 V 7.66 3.76 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 1.08 0.00 0.00 0.98 0.00 0.00 133 R 8.17 3.94 0.00 2.01 1.94 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.93 0.00 134 K 8.23 4.04 0.00 1.88 2.15 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.70 1.42 7.81 135 V 7.31 3.83 2.04 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 0.78 0.00 0.00 0.93 0.00 0.00 136 A 6.98 4.51 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 0.00 137 V 8.60 3.97 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 0.99 0.00 0.00 1.02 0.00 0.00 138 Y 7.89 4.83 0.00 3.25 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 0.00 139 I 7.65 4.86 1.66 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 1.32 0.65 0.80 0.00 0.00 140 T 8.61 4.15 4.40 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 1.41 0.00 0.00 141 Q 10.27 3.93 0.00 1.94 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 142 R 7.90 4.50 0.00 1.98 1.83 0.00 3.33 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 143 N 8.36 4.70 0.00 2.80 2.84 0.00 0.00 6.85 7.56 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 0.00 144 G 8.73 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 7.92 4.31 0.00 2.22 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 2.29 2.25 0.00 147 G 8.48 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 0.00 0.00 0.00 148 A 8.55 4.05 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 0.00 149 L 8.00 3.93 0.00 1.72 1.92 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.17 3.91 0.00 2.01 1.93 0.00 3.44 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 151 E 8.10 3.96 0.00 2.15 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 0.00 2.51 2.44 0.00 152 V 7.88 3.64 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 1.14 0.00 0.00 1.10 0.00 0.00 153 A 8.20 4.01 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 0.00 154 E 8.56 3.91 0.00 2.12 2.04 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 0.00 2.57 2.47 0.00 155 L 8.00 3.96 0.00 1.68 1.76 0.77 0.22 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 0.00 156 I 7.93 3.59 1.95 0.00 0.00 1.00 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 0.45 0.87 0.00 0.00 157 H 8.46 4.07 0.00 3.31 3.51 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 F 8.20 4.17 0.00 3.05 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 0.00 159 L 7.99 3.78 0.00 1.61 1.53 0.84 0.93 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 0.00 160 K 7.87 3.98 0.00 1.76 1.76 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.36 7.81 161 N 7.35 4.78 0.00 2.59 2.70 0.00 0.00 6.71 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 0.00 162 D 7.31 4.13 0.00 2.68 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 * Residues marked with a * may have inaccurate shift predictions.