NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.1316 8.2601 123.5731 51.9900 19.8210 176.4266 6 A 4.1456 8.2567 123.5553 50.0186 20.4765 174.1296 7 K 4.5858 9.0872 122.3127 55.2902 35.4377 175.2441 8 L 4.3345 8.1418 119.8760 55.7581 42.2341 177.1265 9 N 4.3191 9.0015 117.1518 54.3505 37.1174 173.7672 10 H 5.1965 7.5711 113.4031 52.7539 32.6557 171.1192 11 P 4.6010 0.0000 0.0000 63.3206 31.0292 175.7872 12 A 4.1395 8.5188 126.6303 51.2539 19.2706 175.4319 13 P 4.1122 0.0000 0.0000 62.4580 31.8124 176.2800 14 E 4.2065 8.7375 125.0358 56.1305 30.3881 175.6975 15 F 5.1278 8.1015 120.6855 55.3993 41.5778 173.9971 16 D 4.9377 8.7921 121.1522 55.3663 42.7055 173.1171 17 D 4.6021 9.5632 132.9515 54.2020 47.3800 176.7806 *19 A 4.3614 9.2197 116.0709 51.6483 20.7886 178.2423 20 L 4.7880 8.5101 122.7836 54.0408 43.5479 174.9857 *22 P 4.4739 0.0000 0.0000 62.4697 32.3384 177.8484 23 N 4.2322 7.8195 114.0291 53.5156 37.4080 174.7489 24 G 4.3477 7.1790 113.9951 44.6875 0.0000 172.8686 25 T 3.9883 7.7954 116.7468 63.0870 69.3118 173.7810 26 F 5.4150 8.4550 121.2102 56.1032 40.4947 175.1029 27 K 4.6875 8.7790 125.1096 54.1545 35.2138 175.5825 28 K 4.4313 8.7580 127.9447 56.0569 32.7040 175.8438 29 V 4.5798 8.8033 128.6970 61.4669 33.8515 174.6800 30 S 5.1775 8.2131 119.8288 55.8539 65.7047 174.9962 31 L 3.5006 7.7238 123.7173 57.8134 41.5383 179.5526 32 S 4.1883 8.1123 114.1626 61.0292 62.7602 176.4158 33 S 4.0470 7.8174 118.5538 61.6060 62.7309 175.2532 34 Y 4.6085 7.8819 117.0247 56.8478 37.5437 174.4163 35 K 4.0292 7.9158 122.5272 59.6829 32.0442 174.7962 36 G 3.6129 7.0427 121.5898 45.0945 0.0000 172.0684 37 K 4.8150 8.1349 119.8154 54.3567 36.1109 175.3116 38 Y 4.4850 8.8268 118.9396 57.8262 39.3837 175.2133 39 V 4.8356 9.1473 122.3813 61.0668 35.3480 174.5378 40 V 4.6711 8.6112 127.0037 61.2545 33.6923 173.5947 41 L 5.0020 8.7374 131.3270 53.3185 43.7635 175.1615 42 F 5.5097 8.2454 119.7430 55.2931 41.1963 173.6090 43 F 5.2698 9.8924 119.5960 55.4258 42.1989 174.0357 44 Y 4.9457 7.7736 117.2933 55.2343 40.4072 173.0168 45 P 4.2729 0.0000 0.0000 66.0239 31.4464 177.2547 *47 D 3.6585 7.9729 116.1200 53.8958 42.8549 176.2404 48 F 4.0644 7.0492 117.5816 56.0635 37.5030 176.2079 49 T 4.6980 7.2183 116.7888 62.7460 69.1647 176.1475 50 F 4.3102 8.8247 122.9020 59.0940 38.8772 176.6357 51 V 4.3513 6.2832 112.4098 60.2544 34.5669 174.8671 52 C 4.1194 8.8192 118.3920 60.0810 25.7535 174.2137 53 P 4.5258 0.0000 0.0000 66.7594 31.4820 178.7867 54 T 3.7965 7.0936 113.5309 65.8427 68.2041 175.0107 55 E 3.9146 8.2658 120.7736 59.5880 29.6409 178.5772 56 I 4.0297 7.8730 119.0553 64.6150 37.1040 178.1663 57 I 3.6776 8.4389 120.8945 64.6646 36.9391 178.2539 58 Q 3.8712 8.4461 119.1266 59.2807 28.3008 179.9840 59 F 3.8960 7.6041 116.4840 60.6062 39.0600 177.0715 60 S 4.3380 7.6286 111.3971 61.8065 62.3649 175.8570 61 D 4.4988 8.4534 121.5352 57.4919 40.7265 178.1304 62 D 4.4470 8.2731 116.4163 55.2100 40.5573 178.0226 63 A 4.2318 7.9766 123.7988 55.3103 18.3778 179.7654 64 K 3.8480 8.0747 117.3027 59.8963 32.1600 178.5705 65 R 3.8644 8.0051 117.0676 59.5161 30.0302 178.1331 66 F 4.2242 8.6336 117.5870 60.6248 39.1488 177.2790 67 A 4.2473 8.5416 122.1638 54.7159 17.8377 179.1799 68 E 3.9917 8.2473 116.7058 58.3072 29.6573 177.1347 69 I 4.3361 8.4328 119.7345 60.6989 38.6750 175.2238 70 N 4.7194 8.3254 113.4588 54.0408 37.9730 172.3828 71 T 5.3651 7.5629 105.9014 59.4518 71.6738 172.3295 72 E 4.9128 9.3650 125.9297 54.6865 32.3099 174.8671 73 V 4.8528 8.2100 117.3561 59.8640 35.6885 174.7925 74 I 4.7037 8.5884 122.1759 60.0457 41.7664 174.6273 75 S 3.7514 7.9457 123.9936 56.7439 65.3221 172.5460 76 C 4.5631 7.5209 114.7928 59.5426 35.2755 172.5798 77 S 4.4270 7.6153 117.8619 57.3116 65.8258 173.9217 78 C 4.8682 8.3212 116.0883 60.3014 27.9936 173.5858 79 D 4.8822 7.4182 119.4365 52.4562 42.4884 177.4018 80 S 4.2551 8.2362 116.6529 58.0377 65.1319 174.8537 81 E 3.7631 8.7726 122.6928 60.4057 28.8902 179.3097 82 Y 4.2604 8.3173 116.8520 60.8533 37.8092 178.1300 83 S 4.4397 7.7985 113.1391 61.5584 62.8533 175.7162 84 H 4.7421 8.6069 120.6369 58.6345 28.5604 176.8626 85 L 3.9789 8.2707 121.8097 58.6969 41.8095 178.5254 86 Q 4.1546 8.6692 118.9086 59.5673 28.4971 179.1672 87 W 4.9506 8.5466 128.7086 60.4253 30.5691 177.7476 88 T 3.9942 8.7287 113.3885 64.1904 66.5511 176.5194 89 S 4.2597 7.5443 114.5717 60.2329 63.7575 175.2729 90 V 3.7531 7.4506 122.1208 62.3098 32.2397 174.5801 91 D 4.5054 8.6683 126.9326 54.0337 41.2818 177.1170 92 R 4.0591 8.7404 124.0117 58.6992 30.1618 177.2455 93 K 4.0125 8.1058 117.6173 58.5695 33.0772 177.0451 94 K 4.3676 8.4882 121.7908 55.6907 31.4184 177.0148 95 G 3.9266 8.1138 103.6234 46.2910 0.0000 174.1061 96 G 4.0516 7.3496 109.3297 44.4027 0.0000 173.4823 97 L 3.8230 7.3451 118.0919 54.3199 43.8325 177.2959 98 G 3.9306 7.1543 108.2906 43.6377 0.0000 170.8606 99 P 3.8811 0.0000 0.0000 61.4511 32.2440 176.2304 *101 A 4.3111 8.2562 119.6578 51.7359 20.0133 176.3271 102 I 4.6861 7.4381 116.4718 58.7892 40.4268 175.7946 103 P 4.7201 0.0000 0.0000 62.3461 31.3486 175.1681 *105 L 4.2494 8.2759 120.7650 55.7504 43.6114 176.4548 106 A 4.6115 8.3688 122.5097 50.6363 21.0450 175.3115 107 D 4.6845 8.4558 122.3055 52.1684 38.6202 177.5463 108 K 3.8766 8.4097 126.5496 59.8877 32.5068 178.3532 109 T 3.9457 7.8348 112.9029 62.5803 67.7554 175.9722 110 K 4.1614 8.4718 119.0130 56.7442 30.9749 177.3605 111 A 4.0245 7.5920 120.9189 55.3721 18.1347 180.1105 112 I 3.7903 7.8878 117.3119 64.5261 37.4095 178.0995 113 A 3.9035 8.1632 121.2835 55.4215 18.0778 179.9278 114 R 3.8317 8.0584 116.1054 59.3683 29.9382 178.9189 115 A 3.9073 7.7432 119.3436 55.1670 18.4184 178.3763 116 Y 3.8426 7.9446 111.8384 56.5265 39.0514 175.6043 117 G 3.9097 8.1324 108.3376 47.3036 0.0000 174.3705 118 V 4.2516 7.8037 115.5744 61.8255 33.3509 174.4504 119 L 4.5151 7.7368 120.7884 55.2708 42.8715 175.8823 120 D 4.8579 8.6384 125.8564 52.3156 40.2041 176.1184 121 E 4.0948 8.8273 125.8977 59.5026 29.9258 178.9541 122 D 4.5161 8.2934 117.4451 57.1150 41.0669 177.4777 123 S 4.2965 8.0639 111.5679 58.5818 63.7936 175.3010 124 G 3.9506 9.0994 108.1258 44.7915 0.0000 172.5835 125 V 4.5887 7.5136 111.7703 59.1802 36.0422 174.5489 126 A 5.0730 8.3320 123.0476 51.1840 20.6784 176.5532 127 Y 4.2290 8.5992 117.8390 56.9204 39.8531 177.6934 128 R 4.6945 7.9249 119.1231 56.1873 27.8998 176.1883 129 G 4.3649 8.3450 109.7722 44.9361 0.0000 170.1874 130 V 5.1703 8.4663 121.4545 61.3485 35.2554 173.7786 131 F 5.6747 9.7278 126.0590 54.6916 43.4251 173.9804 132 I 5.0663 8.6163 122.1254 59.8942 39.8967 174.3237 133 I 4.9981 8.8387 129.1136 59.6790 39.3950 175.6426 134 D 4.3369 9.0264 126.7749 51.5403 40.5820 175.6508 135 P 4.3760 0.0000 0.0000 64.4563 31.3178 177.6512 136 N 4.5984 8.1962 113.2345 52.9007 39.0616 175.4734 137 G 3.8653 8.9185 107.6875 45.7924 0.0000 173.1466 138 K 4.8153 8.3717 118.8309 54.0089 34.1928 175.3840 139 L 4.6357 8.3136 124.7763 55.1029 43.0026 177.0613 140 R 4.8429 8.9811 122.7571 55.4757 33.0689 174.8521 141 Q 4.5964 7.9198 118.8251 55.3300 32.4994 172.6211 142 I 4.7046 8.5049 126.8138 59.6195 40.5463 175.2405 143 I 4.4383 7.6003 126.3928 60.1843 41.8554 173.9591 144 I 4.9181 8.2415 127.1792 59.7200 39.8679 174.6730 145 N 4.8581 9.3630 125.5651 51.6707 41.0613 176.8647 146 D 4.9477 8.7832 124.1102 54.3325 40.2449 176.3634 *148 P 4.3163 0.0000 0.0000 61.6288 33.0361 175.6838 149 I 4.2642 7.5768 120.1062 59.1294 37.3583 175.9726 150 G 3.8413 8.5508 114.5578 45.7636 0.0000 171.8615 151 R 4.4844 8.5740 119.0945 54.4319 32.3618 176.2974 152 N 4.6742 8.1894 117.9868 51.6545 39.2019 174.9563 153 V 3.2930 8.0771 126.2275 65.9708 31.4199 177.2372 154 E 3.8075 8.1183 117.6895 59.2653 29.2555 178.7224 155 E 3.8508 8.0516 119.1714 59.3369 29.7316 178.7814 156 V 3.6802 7.9123 117.6928 66.2858 31.4616 177.7874 157 I 3.7204 7.7724 119.1394 64.4018 36.8845 177.9876 158 R 3.8199 8.2825 119.9258 59.7964 29.8075 178.1864 159 L 3.9353 8.3329 118.7039 57.7431 41.5311 179.7768 160 V 3.4948 7.8826 117.9896 66.0105 31.5099 177.6665 161 E 3.8639 8.6353 118.3525 59.5191 29.2539 179.0149 162 A 4.0118 8.6754 121.4950 55.4509 18.2210 179.6867 163 L 4.0370 8.2969 117.4279 58.2041 41.6751 179.7675 164 Q 4.0912 8.2690 118.1751 58.9305 28.5182 178.3113 165 F 3.9211 8.6641 122.0235 61.7503 39.1716 177.3118 166 V 3.9020 7.8314 117.0324 66.0737 31.2591 177.6185 167 E 4.1113 7.8016 118.4439 59.9861 29.7243 177.7666 168 E 3.6912 8.3132 116.5958 61.2706 29.9588 181.9677 169 H 4.6434 8.2428 122.3775 52.8899 28.5121 176.2653 170 G 4.3950 8.9952 116.7052 47.2106 0.0000 172.4754 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 5 A 8.26 4.13 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 6 A 8.26 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 9.09 4.59 0.00 1.92 1.82 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.45 7.81 8 L 8.14 4.33 0.00 1.78 1.59 1.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 9 N 9.00 4.32 0.00 2.76 2.83 0.00 0.00 6.73 8.02 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 10 H 7.57 5.20 0.00 3.27 3.09 0.00 5.65 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.60 0.00 2.05 2.12 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 12 A 8.52 4.14 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 13 P 0.00 4.11 0.00 1.56 1.76 0.00 3.06 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.70 0.00 14 E 8.74 4.21 0.00 1.92 1.84 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 2.25 2.31 0.00 15 F 8.10 5.13 0.00 3.10 3.19 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 16 D 8.79 4.94 0.00 2.67 2.62 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 17 D 9.56 4.60 0.00 2.80 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 0.00 0.00 0.00 *19 A 9.22 4.36 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 20 L 8.51 4.79 0.00 1.86 1.76 1.08 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 *22 P 0.00 4.47 0.00 2.13 2.16 0.00 3.78 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 1.96 2.13 0.00 23 N 7.82 4.23 0.00 2.80 2.85 0.00 0.00 5.84 7.00 0.00 0.00 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 G 7.18 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 0.00 0.00 0.00 0.00 25 T 7.80 3.99 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 1.21 0.00 0.00 26 F 8.45 5.42 0.00 2.89 2.83 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 27 K 8.78 4.69 0.00 1.79 1.69 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.37 7.81 28 K 8.76 4.43 0.00 1.84 1.75 0.00 1.83 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.58 1.36 7.81 29 V 8.80 4.58 2.28 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 1.27 0.00 0.00 1.09 0.00 0.00 30 S 8.21 5.18 0.00 4.10 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 31 L 7.72 3.50 0.00 0.27 1.12 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.11 4.19 0.00 4.07 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 33 S 7.82 4.05 0.00 3.70 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 34 Y 7.88 4.61 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.92 4.03 0.00 1.82 1.77 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.39 7.81 36 G 7.04 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.13 4.81 0.00 1.86 2.08 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.46 7.81 38 Y 8.83 4.48 0.00 3.05 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 39 V 9.15 4.84 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 0.72 0.00 0.00 0.81 0.00 0.00 40 V 8.61 4.67 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 0.91 0.00 0.00 0.76 0.00 0.00 41 L 8.74 5.00 0.00 1.57 1.40 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.25 5.51 0.00 3.04 2.67 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 43 F 9.89 5.27 0.00 3.05 2.86 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 44 Y 7.77 4.95 0.00 2.94 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.27 0.00 2.09 2.13 0.00 3.88 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 2.05 2.31 0.00 *47 D 7.97 3.66 0.00 2.32 1.54 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 48 F 7.05 4.06 0.00 2.94 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 49 T 7.22 4.70 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 1.28 0.00 0.00 50 F 8.82 4.31 0.00 3.26 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 51 V 6.28 4.35 1.84 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 0.66 0.00 0.00 -0.06 0.00 0.00 52 C 8.82 4.12 0.00 2.93 3.39 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 53 P 0.00 4.53 0.00 2.12 1.88 0.00 3.56 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 2.46 0.00 54 T 7.09 3.80 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 1.19 0.00 0.00 55 E 8.27 3.91 0.00 2.10 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 2.66 2.60 0.00 56 I 7.87 4.03 1.85 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.69 0.83 0.00 0.00 57 I 8.44 3.68 1.99 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.88 0.00 0.00 58 Q 8.45 3.87 0.00 2.16 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 59 F 7.60 3.90 0.00 3.05 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 60 S 7.63 4.34 0.00 3.86 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 61 D 8.45 4.50 0.00 2.82 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 62 D 8.27 4.45 0.00 2.80 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 4.23 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 0.00 0.00 0.00 0.00 0.00 64 K 8.07 3.85 0.00 1.90 1.82 0.00 1.66 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.58 7.81 65 R 8.01 3.86 0.00 1.74 1.96 0.00 3.17 0.00 0.00 3.03 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.61 0.00 66 F 8.63 4.22 0.00 3.40 3.25 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 0.00 67 A 8.54 4.25 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 68 E 8.25 3.99 0.00 2.24 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 2.33 2.33 0.00 69 I 8.43 4.34 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.20 1.06 0.00 0.00 70 N 8.33 4.72 0.00 3.08 2.97 0.00 0.00 6.78 6.88 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 71 T 7.56 5.37 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 1.40 0.00 0.00 72 E 9.37 4.91 0.00 2.32 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 2.87 2.51 0.00 73 V 8.21 4.85 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 0.35 0.00 0.00 1.00 0.00 0.00 74 I 8.59 4.70 1.85 0.00 0.00 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 1.01 1.38 0.70 0.00 0.00 75 S 7.95 3.75 0.00 3.11 3.65 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 0.00 0.00 0.00 0.00 76 C 7.52 4.56 0.00 2.22 1.54 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 77 S 7.62 4.43 0.00 3.10 2.63 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 78 C 8.32 4.87 0.00 2.92 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.42 4.88 0.00 2.69 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 80 S 8.24 4.26 0.00 4.05 3.95 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 0.00 0.00 0.00 81 E 8.77 3.76 0.00 1.16 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 2.29 2.60 0.00 82 Y 8.32 4.26 0.00 3.07 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 83 S 7.80 4.44 0.00 4.00 4.11 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 0.00 0.00 0.00 0.00 84 H 8.61 4.74 0.00 3.61 3.47 0.00 5.90 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 85 L 8.27 3.98 0.00 1.97 2.04 0.82 0.41 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 86 Q 8.67 4.15 0.00 2.43 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 2.49 2.84 0.00 87 W 8.55 4.95 0.00 3.18 3.27 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 88 T 8.73 3.99 4.43 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 1.33 0.00 0.00 89 S 7.54 4.26 0.00 4.16 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 90 V 7.45 3.75 2.25 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 1.11 0.00 0.00 1.09 0.00 0.00 91 D 8.67 4.51 0.00 2.83 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 92 R 8.74 4.06 0.00 1.69 1.96 0.00 3.02 0.00 0.00 3.74 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 93 K 8.11 4.01 0.00 1.73 1.83 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.42 1.49 7.81 94 K 8.49 4.37 0.00 1.76 1.74 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.54 7.81 95 G 8.11 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.35 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 97 L 7.35 3.82 0.00 0.27 1.15 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 98 G 7.15 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 3.88 0.00 2.03 2.04 0.00 3.68 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 2.12 0.00 *101 A 8.26 4.31 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 0.00 102 I 7.44 4.69 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.12 1.06 0.00 0.00 103 P 0.00 4.72 0.00 2.27 1.99 0.00 3.83 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 *105 L 8.28 4.25 0.00 1.50 1.39 0.09 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.37 4.61 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.46 4.68 0.00 2.74 2.79 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 0.00 0.00 0.00 108 K 8.41 3.88 0.00 1.72 1.88 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.36 7.81 109 T 7.83 3.95 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 1.29 0.00 0.00 110 K 8.47 4.16 0.00 2.02 1.95 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.35 7.81 111 A 7.59 4.02 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 0.00 112 I 7.89 3.79 2.15 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 1.70 0.57 0.98 0.00 0.00 113 A 8.16 3.90 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 0.00 114 R 8.06 3.83 0.00 2.04 1.98 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 115 A 7.74 3.91 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 0.00 116 Y 7.94 3.84 0.00 2.67 2.40 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 0.00 117 G 8.13 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 0.00 118 V 7.80 4.25 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.98 0.00 0.00 119 L 7.74 4.52 0.00 1.63 1.55 0.99 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.64 4.86 0.00 3.03 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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137 G 8.92 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 0.00 138 K 8.37 4.82 0.00 2.10 1.73 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.34 7.81 139 L 8.31 4.64 0.00 1.90 1.76 1.33 1.03 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 0.00 140 R 8.98 4.84 0.00 1.79 1.95 0.00 3.59 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 141 Q 7.92 4.60 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 142 I 8.50 4.70 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.96 0.91 0.00 0.00 143 I 7.60 4.44 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 1.20 0.38 0.92 0.00 0.00 144 I 8.24 4.92 1.79 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 1.19 0.49 0.85 0.00 0.00 145 N 9.36 4.86 0.00 2.88 2.93 0.00 0.00 6.28 8.06 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 0.00 146 D 8.78 4.95 0.00 2.76 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 0.00 0.00 0.00 *148 P 0.00 4.32 0.00 2.13 2.14 0.00 3.76 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 1.96 2.14 0.00 149 I 7.58 4.26 1.92 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 1.26 0.45 0.94 0.00 0.00 150 G 8.55 3.84 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 0.00 0.00 0.00 151 R 8.57 4.48 0.00 2.03 1.96 0.00 3.33 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 152 N 8.19 4.67 0.00 2.74 2.68 0.00 0.00 6.49 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 0.00 153 V 8.08 3.29 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 0.53 0.00 0.00 0.05 0.00 0.00 154 E 8.12 3.81 0.00 2.11 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 0.00 2.27 2.23 0.00 155 E 8.05 3.85 0.00 2.08 2.12 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 2.31 2.37 0.00 156 V 7.91 3.68 2.47 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 1.23 0.00 0.00 1.06 0.00 0.00 157 I 7.77 3.72 1.89 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.44 0.66 0.00 0.00 158 R 8.28 3.82 0.00 1.90 2.16 0.00 3.24 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 159 L 8.33 3.94 0.00 1.97 1.75 0.95 0.76 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 0.00 160 V 7.88 3.49 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 0.88 0.00 0.00 1.18 0.00 0.00 161 E 8.64 3.86 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 162 A 8.68 4.01 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 163 L 8.30 4.04 0.00 1.95 1.91 1.09 0.95 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 0.00 164 Q 8.27 4.09 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.74 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 165 F 8.66 3.92 0.00 3.18 3.21 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 0.00 166 V 7.83 3.90 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 0.94 0.00 0.00 1.03 0.00 0.00 167 E 7.80 4.11 0.00 2.06 2.25 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 2.42 2.44 0.00 168 E 8.31 3.69 0.00 1.89 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 2.27 2.36 0.00 169 H 8.24 4.64 0.00 3.09 2.83 0.00 5.81 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 0.00 170 G 9.00 4.39 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 0.00 * Residues marked with a * may have inaccurate shift predictions.