NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8687 8.1676 115.8623 57.2170 40.1492 177.1110 11 H 3.8309 5.9620 117.1333 56.7429 28.6966 173.8987 12 E 3.8161 8.2943 121.2985 59.1139 30.3963 178.2077 13 M 4.5654 7.3552 115.2604 55.2629 31.9800 176.9884 14 R 4.5222 7.5683 118.0548 55.8361 32.7341 175.7766 15 E 3.9600 8.0338 116.8285 55.2865 29.7560 174.9786 16 P 4.3073 0.0000 0.0000 62.8659 32.2856 174.7409 17 R 4.1178 7.5805 114.8811 55.8020 33.0980 173.7163 18 I 4.5025 8.3881 121.0714 60.6823 37.3710 175.6073 19 E 4.2781 9.4682 130.0126 58.6179 30.1286 176.7388 20 K 4.7533 7.6321 115.8669 55.8009 36.1737 174.6977 21 V 4.5143 8.9324 122.6201 61.3741 33.9846 174.6068 22 V 4.6198 8.4819 129.8570 61.6007 32.9096 174.7423 23 V 4.8705 8.3448 122.7714 59.2263 33.4663 174.8496 24 H 5.1661 8.5453 123.9667 54.8453 34.0275 171.9128 25 M 4.5098 8.9231 123.9013 53.4269 34.1527 175.5019 26 G 4.0707 8.3052 112.4171 45.2728 0.0000 172.1061 27 I 4.3325 8.1707 134.3574 59.6640 37.3517 177.2633 28 G 4.8109 8.3114 124.0274 46.2376 0.0000 172.4919 29 H 5.1176 8.0146 121.3769 55.8387 30.6429 174.0700 *35 A 4.4266 6.7996 124.6068 51.5183 19.3046 180.5280 36 N 4.1011 9.3538 118.8554 58.3263 36.7766 175.6313 37 A 4.1517 7.9394 120.4491 53.7570 19.3495 178.7530 38 E 3.9560 8.8890 117.0917 59.8629 29.6174 178.8843 39 D 4.4427 8.2799 118.2325 57.6974 40.7526 179.3652 40 I 3.9800 7.5583 113.2853 64.0786 37.7157 178.1564 41 L 4.0461 8.0271 120.6678 57.5070 41.3598 179.6046 42 G 3.6574 8.0563 105.2247 47.6085 0.0000 175.5710 43 E 4.0676 7.4494 119.1138 59.1181 29.8586 178.7084 44 I 3.9604 8.0468 117.7010 63.1296 38.0678 176.9980 45 T 4.4774 7.5625 109.4153 64.3099 69.9328 175.3745 46 G 4.0466 7.4951 107.3164 44.8562 0.0000 173.0641 47 Q 4.6356 7.4703 115.6653 53.7593 31.8491 174.8330 48 M 4.0140 8.5156 118.0679 55.4242 32.3053 174.7811 49 P 4.8656 0.0000 0.0000 61.7927 33.8595 174.5765 50 V 4.5473 8.4523 118.8065 60.8582 34.9355 175.0252 51 R 4.5300 8.5932 124.2233 56.5273 31.3279 176.0880 52 T 4.5497 8.7458 118.4125 61.9245 71.1412 173.8015 53 K 4.9249 8.7458 125.5880 55.3183 33.9876 175.7835 54 A 4.8694 7.8544 123.9071 50.2842 21.7958 175.8007 55 K 4.5949 8.2170 117.2244 55.2184 35.8160 173.1255 56 R 3.9049 8.6913 126.9990 55.6086 30.1161 176.8140 57 T 4.1129 8.3031 117.6337 63.4970 69.3590 174.1957 58 V 4.3954 8.7706 124.4813 60.8007 34.2940 176.1106 59 G 3.9823 9.2561 117.2162 48.9017 0.0000 174.1748 60 E 4.0793 8.2906 119.1226 58.8190 27.2664 177.3323 61 F 4.1896 7.6051 131.7590 60.5738 38.6112 175.1342 62 D 4.8818 8.3089 121.1993 53.3612 41.5144 176.1685 63 I 4.1350 7.7231 112.7228 62.7422 38.8274 176.5592 64 R 3.9458 7.7655 122.0763 55.8661 29.2488 174.5558 65 E 3.9588 8.2214 129.1879 58.2729 29.8041 175.9166 66 G 4.1424 7.9767 117.2695 46.3741 0.0000 171.8846 67 D 4.5694 8.4663 122.1264 51.2004 41.5900 174.1877 68 P 4.3895 0.0000 0.0000 63.9742 31.3613 175.9605 69 I 4.6897 8.9029 120.6911 61.6053 42.8146 174.3973 70 G 4.2132 7.8737 107.3303 45.8587 0.0000 171.5357 71 A 5.8764 8.5615 120.0303 50.8009 22.9885 175.6879 72 K 5.0948 8.4558 118.5245 55.6239 37.2481 175.0891 73 V 4.6089 8.7317 119.8462 61.6465 35.1588 173.2445 74 T 4.7739 8.5536 118.3823 60.2142 70.1142 173.4501 75 L 4.7028 8.7878 127.4656 53.1907 43.9402 176.1852 76 R 4.7989 7.9343 120.3054 54.6332 34.2995 175.8835 77 D 4.4789 8.9610 120.9517 55.6534 38.8930 176.1954 78 E 3.9441 9.0322 124.8371 61.1009 28.8255 178.2111 79 M 3.7687 8.2803 117.7209 58.6747 31.8401 178.7468 80 A 4.0362 7.9013 119.9201 55.2750 18.7735 179.4420 81 E 3.9183 8.1131 116.7085 59.7713 29.4294 179.3770 82 E 4.1282 8.8204 117.9997 59.2052 29.2056 179.2106 83 F 4.3196 7.8767 120.0212 61.2274 39.7150 177.4744 84 L 4.0367 8.3553 118.7482 57.7430 41.1073 179.3512 85 Q 3.8633 8.3213 117.9695 59.0345 28.7604 178.6579 86 T 4.3708 7.0611 106.2250 61.5468 69.3531 174.9020 87 A 4.3294 7.1697 122.9747 54.2205 20.6085 179.0549 88 L 3.6267 8.1657 117.6470 57.5478 41.4989 177.9702 89 P 4.2616 0.0000 0.0000 64.5630 31.3621 177.5424 90 L 4.3327 7.8028 116.3468 54.2863 42.0796 175.7996 91 A 4.8105 7.2759 121.1620 50.2840 21.9030 176.2755 92 E 4.5611 8.1162 118.7139 53.5475 29.4769 175.4463 93 L 4.1850 7.9466 120.4023 54.9295 42.7013 176.7431 94 A 5.5318 8.2480 123.3804 49.2508 22.3602 176.9752 95 T 3.7450 8.7054 117.0561 66.7176 68.9574 176.1300 96 S 4.3323 8.3633 115.5757 61.6951 62.9769 176.3370 97 Q 4.2864 8.2443 116.3129 56.5727 28.1805 175.5306 98 F 4.9540 8.3561 117.5130 55.5872 41.2379 175.3113 99 D 4.7386 9.8378 124.5194 53.8868 41.9088 176.4564 100 D 4.6304 8.5161 119.6662 55.8336 41.1483 177.6911 101 T 4.2826 7.9808 114.4632 63.5839 69.0211 175.3067 102 G 4.1444 7.9292 109.4146 46.0212 0.0000 172.9493 103 N 5.1731 7.9716 115.4791 51.1966 42.0693 173.2551 104 F 4.6501 7.6050 111.1779 57.0694 41.1333 173.1401 105 S 4.9990 8.6475 114.9310 56.7278 65.8373 172.8157 106 F 4.9125 8.8088 120.2450 56.3295 41.0726 173.1587 107 G 4.2780 8.9104 104.2101 44.4052 0.0000 172.4636 *128 L 4.0528 8.5033 122.0194 55.1458 43.5351 176.6362 129 D 5.0416 8.8507 125.6089 52.5420 44.6453 175.8144 130 V 4.2456 7.9330 120.2467 61.7117 34.4481 173.9341 131 T 4.5968 8.4338 125.3934 61.5825 70.9025 173.8662 132 V 4.3793 8.1229 126.3287 61.0119 34.0946 173.6906 133 N 4.8911 9.0536 128.0529 52.2777 40.0204 173.3035 134 L 5.2720 8.3025 126.4812 53.3513 44.1187 176.1275 135 V 4.2393 8.3947 121.0879 60.9388 35.5801 173.0437 136 R 3.9540 8.4231 119.7554 55.0004 31.5028 175.2411 137 P 3.8012 0.0000 0.0000 66.6372 32.4135 177.8498 138 G 3.9932 7.9001 105.7749 45.2470 0.0000 174.5214 139 Y 4.2364 7.8219 122.0442 60.2558 39.0380 176.1411 140 R 3.7228 8.2558 119.4829 59.6275 29.8127 177.9540 141 V 3.2315 7.5070 117.6460 65.2914 31.0751 176.7398 142 A 4.7685 7.5571 118.7450 50.7933 19.4748 176.8237 143 K 4.3179 8.3025 116.6404 55.8660 33.9960 176.7835 144 R 4.3186 7.5618 115.0902 55.2809 30.7926 176.5639 145 D 4.4195 8.5708 118.5556 57.2474 41.1231 177.6013 146 K 4.1283 7.9222 116.6511 57.0285 32.9837 176.5437 147 A 3.7842 8.5666 124.1101 52.6368 16.2016 176.8740 148 S 4.5502 7.8029 114.2261 60.2992 64.2300 173.4473 149 R 4.5716 8.7117 118.7769 55.2532 33.7545 173.5993 150 S 4.4231 8.5877 119.9534 57.5938 63.3166 173.9023 151 I 3.8219 8.3877 128.0873 60.7243 37.6495 174.3249 152 P 4.4299 0.0000 0.0000 62.6406 31.7411 177.5157 153 T 4.0210 8.5035 112.0645 64.5046 68.4663 176.2686 154 K 4.1779 7.9536 120.6977 59.0943 32.4722 177.5504 155 H 4.5769 8.0236 115.8909 55.9722 30.4491 175.5592 156 R 4.1331 7.3098 118.9296 56.3557 30.6729 176.0583 157 L 4.3043 8.1616 122.7983 54.8857 43.2286 176.0760 158 N 5.1880 8.1832 117.8760 49.9693 43.5258 173.7127 159 P 4.3451 0.0000 0.0000 65.9500 31.5547 178.6848 160 A 3.9226 7.9360 118.6392 55.5276 18.0918 179.3727 161 D 4.4248 8.1037 115.9424 56.7028 40.8940 178.8805 162 A 4.1682 8.3938 122.3742 55.1184 18.6478 179.3808 163 V 3.2017 8.1788 116.8579 66.9545 31.2733 177.1889 164 A 3.9282 8.1418 119.3775 54.5516 17.7390 179.2309 165 F 4.3513 8.1427 119.4569 61.1294 40.1881 178.2690 166 I 3.5669 7.8831 119.0653 64.4180 36.8039 178.0287 167 E 4.5800 8.4659 120.5490 58.5613 29.3120 178.0136 168 S 4.7008 8.5464 112.2008 57.6221 63.2397 174.7003 169 T 4.3973 8.0448 115.9321 63.6484 71.1428 172.6285 170 Y 3.3612 8.2917 127.4805 57.0556 35.0550 168.3235 171 D 4.5552 6.3903 117.9900 53.3760 42.1255 175.9430 172 V 4.8825 7.5134 117.7095 60.9258 35.4940 176.4363 173 E 4.3567 9.7038 129.3125 58.0611 28.8874 177.1470 174 V 3.7087 7.4379 116.0508 61.8470 32.2225 174.9801 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 10 F 8.17 4.87 0.00 3.33 3.42 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 11 H 5.96 3.83 0.00 3.13 2.54 0.00 5.46 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.29 3.82 0.00 1.61 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 2.21 2.23 0.00 13 M 7.36 4.57 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 14 R 7.57 4.52 0.00 1.97 1.95 0.00 3.42 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 15 E 8.03 3.96 0.00 2.09 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 2.53 2.24 0.00 16 P 0.00 4.31 0.00 0.96 1.67 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 17 R 7.58 4.12 0.00 1.72 1.83 0.00 2.74 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 18 I 8.39 4.50 1.96 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.87 0.95 0.00 0.00 19 E 9.47 4.28 0.00 1.78 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 2.30 2.28 0.00 20 K 7.63 4.75 0.00 1.78 1.81 0.00 1.46 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.35 7.81 21 V 8.93 4.51 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 0.69 0.00 0.00 0.97 0.00 0.00 22 V 8.48 4.62 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 0.80 0.00 0.00 0.84 0.00 0.00 23 V 8.34 4.87 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 0.30 0.00 0.00 0.67 0.00 0.00 24 H 8.55 5.17 0.00 3.14 2.96 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.92 4.51 0.00 1.84 1.86 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 26 G 8.31 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.17 4.33 1.89 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 1.09 0.71 0.70 0.00 0.00 28 G 8.31 4.81 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 0.00 0.00 0.00 29 H 8.01 5.12 0.00 3.21 3.38 0.00 5.76 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 *35 A 6.80 4.43 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 9.35 4.10 0.00 2.84 3.02 0.00 0.00 5.86 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 37 A 7.94 4.15 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 38 E 8.89 3.96 0.00 1.96 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 2.31 2.67 0.00 39 D 8.28 4.44 0.00 2.67 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 40 I 7.56 3.98 1.88 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 1.76 0.62 0.92 0.00 0.00 41 L 8.03 4.05 0.00 1.85 1.72 0.86 0.85 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 42 G 8.06 3.66 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 0.00 0.00 0.00 43 E 7.45 4.07 0.00 2.24 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 2.34 2.49 0.00 44 I 8.05 3.96 1.96 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.86 1.08 0.00 0.00 45 T 7.56 4.48 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 0.96 0.00 0.00 46 G 7.50 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 47 Q 7.47 4.64 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 48 M 8.52 4.01 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 49 P 0.00 4.87 0.00 2.03 2.02 0.00 3.68 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 50 V 8.45 4.55 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 1.02 0.00 0.00 0.95 0.00 0.00 51 R 8.59 4.53 0.00 1.72 1.83 0.00 3.34 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 52 T 8.75 4.55 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 53 K 8.75 4.92 0.00 1.62 1.71 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.42 7.81 54 A 7.85 4.87 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 55 K 8.22 4.59 0.00 1.60 1.68 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.41 7.81 56 R 8.69 3.90 0.00 1.97 1.94 0.00 3.21 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 57 T 8.30 4.11 4.26 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 1.24 0.00 0.00 58 V 8.77 4.40 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 1.10 0.00 0.00 1.04 0.00 0.00 59 G 9.26 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 60 E 8.29 4.08 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 61 F 7.61 4.19 0.00 3.01 3.36 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 62 D 8.31 4.88 0.00 2.90 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 63 I 7.72 4.13 1.92 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 1.40 0.76 1.02 0.00 0.00 64 R 7.77 3.95 0.00 1.74 1.98 0.00 3.18 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.59 0.00 65 E 8.22 3.96 0.00 2.09 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 2.37 2.31 0.00 66 G 7.98 4.14 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 0.00 0.00 0.00 67 D 8.47 4.57 0.00 2.59 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.39 0.00 1.93 2.05 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 69 I 8.90 4.69 1.96 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 1.13 0.85 0.86 0.00 0.00 70 G 7.87 4.21 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 0.00 71 A 8.56 5.88 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 72 K 8.46 5.09 0.00 1.74 1.89 0.00 1.43 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.37 7.81 73 V 8.73 4.61 1.91 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 0.97 0.00 0.00 0.85 0.00 0.00 74 T 8.55 4.77 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 1.15 0.00 0.00 75 L 8.79 4.70 0.00 1.46 1.63 0.63 0.68 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 76 R 7.93 4.80 0.00 1.62 1.77 0.00 3.30 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 77 D 8.96 4.48 0.00 2.89 2.23 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 78 E 9.03 3.94 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 79 M 8.28 3.77 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.59 0.00 80 A 7.90 4.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.11 3.92 0.00 2.08 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 0.00 2.37 2.55 0.00 82 E 8.82 4.13 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 83 F 7.88 4.32 0.00 3.25 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 84 L 8.36 4.04 0.00 1.90 1.79 1.07 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.32 3.86 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.27 0.00 0.00 0.00 0.00 0.00 2.15 2.48 0.00 86 T 7.06 4.37 4.15 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 1.16 0.00 0.00 87 A 7.17 4.33 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.17 3.63 0.00 1.66 1.66 0.98 1.22 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 89 P 0.00 4.26 0.00 1.98 2.10 0.00 3.49 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 90 L 7.80 4.33 0.00 1.77 1.74 0.96 0.95 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 91 A 7.28 4.81 0.71 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 92 E 8.12 4.56 0.00 1.92 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 2.17 2.26 0.00 93 L 7.95 4.19 0.00 1.59 1.65 0.68 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.25 5.53 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 95 T 8.71 3.74 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 1.12 0.00 0.00 96 S 8.36 4.33 0.00 4.06 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 97 Q 8.24 4.29 0.00 2.44 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 98 F 8.36 4.95 0.00 3.18 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 99 D 9.84 4.74 0.00 2.86 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.52 4.63 0.00 2.73 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 0.00 101 T 7.98 4.28 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 1.23 0.00 0.00 102 G 7.93 4.14 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 0.00 0.00 0.00 103 N 7.97 5.17 0.00 2.77 2.66 0.00 0.00 6.56 8.13 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 0.00 104 F 7.60 4.65 0.00 2.51 1.71 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 0.00 105 S 8.65 5.00 0.00 3.66 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.81 4.91 0.00 3.13 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 0.00 107 G 8.91 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 0.00 0.00 0.00 0.00 *128 L 8.50 4.05 0.00 1.77 1.61 0.97 1.15 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 0.00 129 D 8.85 5.04 0.00 2.69 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 0.00 130 V 7.93 4.25 0.67 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 0.93 0.00 0.00 0.86 0.00 0.00 131 T 8.43 4.60 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 1.04 0.00 0.00 132 V 8.12 4.38 0.88 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 1.00 0.00 0.00 0.62 0.00 0.00 133 N 9.05 4.89 0.00 2.73 2.60 0.00 0.00 6.64 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.30 5.27 0.00 1.76 1.52 1.31 1.16 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 0.00 135 V 8.39 4.24 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 0.45 0.00 0.00 0.45 0.00 0.00 136 R 8.42 3.95 0.00 1.63 1.72 0.00 3.11 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.52 0.00 137 P 0.00 3.80 0.00 2.09 1.98 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 138 G 7.90 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 0.00 139 Y 7.82 4.24 0.00 3.27 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 0.00 140 R 8.26 3.72 0.00 1.92 1.94 0.00 3.26 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 141 V 7.51 3.23 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 1.05 0.00 0.00 0.97 0.00 0.00 142 A 7.56 4.77 1.09 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 0.00 0.00 143 K 8.30 4.32 0.00 1.54 1.73 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.77 1.27 7.81 144 R 7.56 4.32 0.00 1.89 1.89 0.00 3.03 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 145 D 8.57 4.42 0.00 2.67 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 0.00 146 K 7.92 4.13 0.00 1.73 1.72 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.42 7.81 147 A 8.57 3.78 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 0.00 148 S 7.80 4.55 0.00 3.83 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.71 4.57 0.00 1.87 1.72 0.00 3.12 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 150 S 8.59 4.42 0.00 3.92 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 0.00 151 I 8.39 3.82 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.16 1.04 0.00 0.00 152 P 0.00 4.43 0.00 2.21 1.99 0.00 3.65 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 153 T 8.50 4.02 4.26 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 1.23 0.00 0.00 154 K 7.95 4.18 0.00 1.77 1.94 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.57 7.81 155 H 8.02 4.58 0.00 3.14 3.38 0.00 5.95 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.31 4.13 0.00 2.03 1.88 0.00 3.48 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.60 0.00 157 L 8.16 4.30 0.00 1.53 1.80 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.18 5.19 0.00 2.92 2.66 0.00 0.00 6.79 8.03 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 0.00 159 P 0.00 4.35 0.00 2.15 2.17 0.00 3.63 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.52 0.00 160 A 7.94 3.92 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 0.00 161 D 8.10 4.42 0.00 2.72 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 0.00 162 A 8.39 4.17 1.67 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 0.00 163 V 8.18 3.20 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 0.79 0.00 0.00 0.14 0.00 0.00 164 A 8.14 3.93 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 0.00 165 F 8.14 4.35 0.00 3.02 3.35 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 0.00 166 I 7.88 3.57 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.89 0.83 0.00 0.00 167 E 8.47 4.58 0.00 1.90 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 2.28 2.29 0.00 168 S 8.55 4.70 0.00 3.78 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 0.00 169 T 8.04 4.40 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 1.26 0.00 0.00 170 Y 8.29 3.36 0.00 2.97 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 0.00 171 D 6.39 4.56 0.00 2.97 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.51 4.88 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 0.89 0.00 0.00 0.89 0.00 0.00 173 E 9.70 4.36 0.00 1.93 1.81 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 2.43 2.18 0.00 174 V 7.44 3.71 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 0.91 0.00 0.00 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.