NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3909 0.0000 0.0000 62.2097 32.0875 176.6579 3 T 3.9260 8.3842 121.1868 62.7771 70.3940 173.9929 4 N 4.4464 8.9708 122.1135 57.1832 38.9877 178.1165 5 Q 4.2808 8.0288 121.4491 59.7973 28.2330 181.1987 6 D 4.6071 7.8781 118.3364 57.3279 41.0724 178.5857 7 L 3.9494 7.6870 119.2341 58.0807 41.7322 179.6841 8 Q 3.9002 8.4906 118.1446 58.5201 28.4470 178.7760 9 L 3.9334 7.7165 121.1859 57.9006 42.0682 178.6678 10 A 3.9250 8.0864 120.5390 55.1313 18.3246 179.1644 11 A 3.9156 7.9552 119.1562 55.8092 18.3252 179.4620 12 H 4.1449 7.9177 114.2558 58.9748 28.9462 177.5316 13 L 4.3754 8.1962 123.6485 57.6379 41.8839 178.7086 14 R 3.9033 8.2275 119.0039 59.8110 29.9246 178.5332 15 S 4.1772 8.1335 113.7066 61.4930 63.1202 176.3413 16 Q 4.0292 8.3887 121.9311 58.6730 28.4384 178.8196 17 V 3.7981 7.8270 119.0497 65.4887 31.6852 178.2472 18 T 3.9629 7.9354 109.7443 64.8992 68.9046 176.9149 19 T 3.8486 8.3198 119.2107 66.2672 68.4960 176.2494 20 L 4.0100 7.9258 122.0503 58.5527 42.2430 179.0139 21 T 3.9009 7.9425 115.7047 66.7519 68.3576 176.5019 22 R 3.9035 8.1806 120.6023 58.9622 30.1214 178.4792 23 R 3.6560 7.7363 118.2435 59.4687 29.9108 178.5297 24 L 3.7499 7.4954 117.1321 57.5488 41.7666 179.6277 25 R 4.0917 7.7706 120.1153 60.0628 29.5726 179.8246 26 R 3.8236 7.6345 120.0736 61.3222 29.0355 179.8293 27 E 4.1641 7.4712 114.7419 57.6482 29.5677 178.3279 28 A 4.2277 7.8995 123.7954 53.4645 18.7776 177.8817 29 Q 3.4209 7.7781 113.0843 56.1431 25.9898 177.1340 30 A 4.7820 7.8320 121.1632 49.9290 21.8012 177.0755 31 D 4.5153 8.7807 123.2995 52.8473 41.0479 175.9858 32 P 4.3672 0.0000 0.0000 66.6739 31.2673 179.7817 33 V 3.6693 7.7742 117.1690 66.3054 31.6175 180.0532 34 Q 4.2308 8.5927 119.3225 58.5690 28.6387 178.8349 35 F 4.1548 8.5193 122.1071 61.2759 39.2903 177.3052 36 S 3.9494 8.2117 113.9259 61.6349 62.5565 176.5956 37 Q 3.9096 7.8880 121.0832 58.2677 28.4117 178.1360 38 L 3.8150 7.9080 121.5822 58.0713 42.0380 178.8904 39 V 3.3570 6.9901 117.6387 66.1020 31.3470 177.9321 40 V 3.5028 7.2423 117.3583 66.1447 31.4818 177.8035 41 L 4.0469 8.0304 118.7369 57.8936 41.4104 179.9445 42 G 3.5628 8.5202 105.7460 47.4819 0.0000 175.4253 43 A 4.0057 8.1781 123.5284 55.3359 18.2663 179.8640 44 I 3.6811 7.8341 118.0064 64.4809 37.1209 178.2701 45 D 4.3193 8.0555 118.5348 57.1430 40.8489 178.2828 46 R 3.9567 7.9101 117.7614 59.4244 30.2675 178.4631 47 L 4.3488 7.6055 114.3762 55.1780 41.5794 177.8858 48 G 3.9078 7.8567 107.7699 44.7740 0.0000 175.0863 49 G 3.9672 9.0510 108.3447 45.5327 0.0000 173.1036 50 D 5.0440 7.5762 117.7216 51.9513 41.4217 174.0976 51 V 4.5591 8.4164 115.6975 58.3411 35.8359 175.7764 52 T 4.8974 8.1373 114.7495 60.3711 70.8355 173.6334 53 P 4.2087 0.0000 0.0000 66.2766 31.4297 178.8281 54 S 4.1052 8.1093 113.0039 61.8323 62.7959 176.4237 55 E 3.9570 7.9876 121.9247 58.8530 29.4493 178.6700 56 L 3.8765 7.8647 119.9154 58.0353 42.0400 178.4428 57 A 3.9692 8.2888 119.3894 55.3640 18.6730 179.1080 58 A 4.0624 8.1260 118.6976 55.4003 18.2797 179.8062 59 A 4.0805 8.0244 117.7533 54.2434 18.4113 178.6733 60 E 4.6368 7.6627 114.4203 54.3962 30.5133 176.7074 61 R 3.3032 7.4305 112.2467 57.2659 27.5140 175.0504 *63 R 4.0512 7.8709 120.1304 55.6092 31.5695 176.2558 64 S 4.0585 8.8653 117.8514 61.9746 61.2337 176.4802 65 S 4.0800 8.2018 115.9963 61.3921 62.1282 175.6286 66 N 4.4317 8.1750 119.8201 55.7757 39.1200 176.4405 67 L 3.8998 8.0103 120.9816 58.3501 41.8802 178.7314 68 A 3.9382 7.8143 120.4462 55.1352 18.3809 179.5236 69 A 3.9552 7.4797 116.2475 55.1989 18.4654 179.8857 70 L 4.1810 7.8037 117.3472 57.5875 41.7154 179.7090 71 L 3.9717 8.1730 119.5193 57.6322 41.6255 179.2905 72 R 3.9102 8.0790 118.1531 59.6566 30.0648 178.9545 73 E 3.9935 7.9406 117.4838 59.2562 29.4185 179.3280 74 L 3.9675 7.9084 119.0959 57.7622 41.6281 179.4090 75 E 4.0594 8.0622 118.1605 59.6594 29.2630 179.3377 76 R 4.0162 7.5739 116.2078 59.3524 30.2293 178.3788 77 G 3.9868 7.9190 102.2513 43.9809 0.0000 174.0566 78 G 3.9746 8.2929 107.6517 46.1231 0.0000 174.9977 79 L 4.3758 8.0550 121.9977 55.8339 42.8387 176.7125 80 I 5.0178 7.6799 110.0944 58.8249 41.0280 175.1975 81 V 4.3067 8.8650 122.6457 61.1067 34.1646 173.9374 82 R 4.8074 8.5408 128.2340 55.3809 31.4744 174.6549 83 H 5.0838 9.1890 125.1076 55.3808 32.4301 173.0063 84 A 4.0980 8.2219 123.1008 55.5298 20.2232 178.3979 *91 R 4.2358 7.4766 114.9639 57.0294 32.0079 175.9127 92 T 4.9436 8.3270 118.0026 61.5313 71.5405 173.5213 93 R 5.1292 8.6662 124.2368 54.4586 34.2919 174.8032 94 V 4.9717 8.9995 115.8929 59.8097 35.1520 174.9559 95 S 5.6401 8.7514 118.6148 55.2967 67.5279 173.3705 96 L 4.5755 8.4316 122.1682 54.7883 42.1387 177.4618 97 S 4.4331 8.7608 118.4321 57.7836 64.3645 175.3691 98 S 4.0584 8.6769 114.2603 61.0431 62.0050 175.7438 99 E 3.9699 8.2477 122.2097 59.0411 29.3083 178.7086 100 G 3.5379 7.7994 105.3639 47.8562 0.0000 175.8213 101 R 3.2739 8.0183 123.3957 59.2675 30.0378 179.9395 102 R 3.9240 7.9798 120.5145 61.3773 29.3489 180.0219 103 N 4.4092 8.1868 118.0228 56.4041 39.0073 176.7046 104 L 3.8783 7.8749 121.6199 58.4451 42.2807 178.4398 105 Y 4.5057 8.1378 117.0394 61.1765 37.9300 178.7101 106 G 4.0156 8.1376 106.8087 48.2885 0.0000 175.2498 107 N 4.4376 8.1789 120.1158 56.1041 39.0887 177.2956 108 R 3.9914 8.2749 119.4227 58.9358 30.0575 178.8968 109 A 4.0486 8.5750 121.2300 54.9299 18.3889 179.6258 110 K 3.9207 7.9868 116.7232 60.0167 32.3120 179.7811 111 R 4.0941 8.2837 118.1195 59.3054 29.9042 179.0954 112 E 4.1210 8.2470 118.0627 59.2049 29.5515 178.9542 113 E 3.9462 8.5920 118.7507 59.4466 29.5366 179.0596 114 W 4.3018 8.3117 128.2803 60.6987 30.6034 177.7601 115 L 3.3621 7.7867 118.6251 57.7797 41.6178 178.4946 116 V 3.6934 7.6081 117.4117 66.3177 31.5484 178.0060 117 R 3.9940 7.7695 117.2127 58.8240 29.8103 178.8397 118 A 3.5788 7.0593 117.6255 53.6329 18.2655 178.6722 *120 H 4.3943 8.1441 117.5764 56.4529 30.6798 174.2791 121 A 4.4119 7.4523 120.5611 52.7248 19.4850 177.4223 122 C 4.6818 7.8820 111.5998 59.7794 30.1241 174.0850 123 L 4.9274 7.4225 117.5264 52.1945 45.3921 176.2204 124 D 4.7040 8.9885 122.5815 52.1105 42.6636 176.9818 125 E 3.8939 8.5403 118.7840 59.6516 29.5848 178.7854 126 S 4.2271 8.0622 113.5235 61.1007 63.3415 176.1380 127 E 4.0078 8.3888 122.5905 59.2506 29.2649 179.2336 128 R 3.9269 8.0872 117.9571 59.1341 30.0448 178.9813 129 A 4.0313 8.0817 120.7278 54.9151 18.2894 179.7055 130 L 3.9227 7.8008 117.1242 58.0668 41.8206 179.7758 131 L 3.9897 7.8379 118.1477 57.5716 41.2400 179.5189 132 A 3.9838 7.9049 120.0449 55.0838 18.4106 179.2638 133 A 4.0508 7.9004 118.1673 54.9971 18.7476 179.2153 134 A 4.3105 8.3669 119.1424 54.2158 18.8488 180.1442 135 G 3.5124 7.9926 104.5882 47.5952 0.0000 174.1937 136 P 4.4152 0.0000 0.0000 64.3627 31.3218 178.0827 137 L 4.2277 7.9045 117.8044 56.6836 41.5810 179.0572 138 L 4.0321 7.9069 119.7334 57.8839 41.5304 179.3520 139 T 3.8718 7.8607 115.2514 66.6969 68.2573 176.4171 140 R 3.9448 7.6308 118.7480 59.5167 30.4712 178.2670 141 L 4.1298 8.0994 118.6237 57.6495 41.3823 179.2525 142 A 4.1401 8.3768 120.3854 54.4673 18.3039 178.6702 143 Q 4.4756 7.6797 113.8907 54.6435 29.5616 175.6988 144 F 4.3729 7.5863 122.9037 58.3360 39.9759 174.2303 145 E 4.2904 7.9636 126.2812 54.1876 32.3023 175.7292 146 E 3.8994 8.1685 120.0685 56.2040 29.8551 175.6813 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 2 P 0.00 4.39 0.00 2.05 2.10 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 3 T 8.38 3.93 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 1.21 0.00 0.00 4 N 8.97 4.45 0.00 2.72 2.86 0.00 0.00 7.04 7.74 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 5 Q 8.03 4.28 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 6 D 7.88 4.61 0.00 2.82 2.71 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 7 L 7.69 3.95 0.00 1.98 1.69 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.49 3.90 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 9 L 7.72 3.93 0.00 1.74 1.80 0.94 1.60 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 10 A 8.09 3.92 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 11 A 7.96 3.92 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 12 H 7.92 4.14 0.00 3.41 3.34 0.00 5.66 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 13 L 8.20 4.38 0.00 1.79 1.72 0.93 0.55 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 14 R 8.23 3.90 0.00 1.99 2.12 0.00 3.15 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 15 S 8.13 4.18 0.00 4.12 4.12 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 0.00 0.00 0.00 16 Q 8.39 4.03 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 17 V 7.83 3.80 2.24 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 1.07 0.00 0.00 0.95 0.00 0.00 18 T 7.94 3.96 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 1.30 0.00 0.00 19 T 8.32 3.85 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 1.22 0.00 0.00 20 L 7.93 4.01 0.00 1.92 1.75 1.12 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.94 3.90 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 1.24 0.00 0.00 22 R 8.18 3.90 0.00 1.97 2.01 0.00 3.06 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 23 R 7.74 3.66 0.00 1.89 1.99 0.00 3.00 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.13 0.00 24 L 7.50 3.75 0.00 1.84 1.71 0.99 1.16 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 25 R 7.77 4.09 0.00 1.97 1.63 0.00 3.26 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 26 R 7.63 3.82 0.00 1.84 1.96 0.00 3.26 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 27 E 7.47 4.16 0.00 1.72 1.68 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 1.74 1.47 0.00 28 A 7.90 4.23 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 29 Q 7.78 3.42 0.00 2.27 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 30 A 7.83 4.78 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 31 D 8.78 4.52 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 32 P 0.00 4.37 0.00 2.13 2.21 0.00 3.87 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 33 V 7.77 3.67 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 0.86 0.00 0.00 0.93 0.00 0.00 34 Q 8.59 4.23 0.00 2.36 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 35 F 8.52 4.15 0.00 3.14 3.23 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 36 S 8.21 3.95 0.00 4.05 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 37 Q 7.89 3.91 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 38 L 7.91 3.81 0.00 1.86 1.43 0.92 0.91 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 39 V 6.99 3.36 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 0.90 0.00 0.00 0.32 0.00 0.00 40 V 7.24 3.50 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.90 0.00 0.00 41 L 8.03 4.05 0.00 2.01 1.69 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.52 3.56 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 0.00 0.00 0.00 43 A 8.18 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 44 I 7.83 3.68 2.00 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 1.39 0.76 0.90 0.00 0.00 45 D 8.06 4.32 0.00 2.84 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 46 R 7.91 3.96 0.00 2.00 2.00 0.00 3.23 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 47 L 7.61 4.35 0.00 1.64 1.70 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.86 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 49 G 9.05 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 7.58 5.04 0.00 2.57 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 51 V 8.42 4.56 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 0.73 0.00 0.00 1.01 0.00 0.00 52 T 8.14 4.90 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 1.26 0.00 0.00 53 P 0.00 4.21 0.00 2.17 2.17 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 54 S 8.11 4.11 0.00 3.86 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.99 3.96 0.00 1.98 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 2.30 2.31 0.00 56 L 7.86 3.88 0.00 2.05 1.78 0.90 1.03 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 57 A 8.29 3.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.13 4.06 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 59 A 8.02 4.08 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 60 E 7.66 4.64 0.00 2.05 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 0.00 2.34 2.43 0.00 61 R 7.43 3.30 0.00 1.91 1.94 0.00 3.60 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 *63 R 7.87 4.05 0.00 1.89 1.90 0.00 3.17 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 64 S 8.87 4.06 0.00 3.87 3.89 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 65 S 8.20 4.08 0.00 4.08 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 66 N 8.17 4.43 0.00 2.76 2.96 0.00 0.00 6.73 6.58 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 67 L 8.01 3.90 0.00 1.78 1.66 0.89 1.03 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 68 A 7.81 3.94 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 69 A 7.48 3.96 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 70 L 7.80 4.18 0.00 1.63 1.69 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.17 3.97 0.00 1.89 1.69 0.90 1.05 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 72 R 8.08 3.91 0.00 1.95 1.99 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 73 E 7.94 3.99 0.00 2.00 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 2.32 2.62 0.00 74 L 7.91 3.97 0.00 1.83 1.68 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.06 4.06 0.00 2.02 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 2.47 2.32 0.00 76 R 7.57 4.02 0.00 2.19 2.01 0.00 3.27 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 77 G 7.92 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 78 G 8.29 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.06 4.38 0.00 1.58 1.67 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.68 5.02 1.93 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 1.14 0.64 0.87 0.00 0.00 81 V 8.87 4.31 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 0.86 0.00 0.00 0.90 0.00 0.00 82 R 8.54 4.81 0.00 2.06 1.88 0.00 3.34 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.20 0.00 83 H 9.19 5.08 0.00 3.00 3.13 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.22 4.10 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 *91 R 7.48 4.24 0.00 1.54 1.86 0.00 3.21 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.24 0.00 92 T 8.33 4.94 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 1.23 0.00 0.00 93 R 8.67 5.13 0.00 1.79 1.87 0.00 3.06 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 94 V 9.00 4.97 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 0.72 0.00 0.00 0.99 0.00 0.00 95 S 8.75 5.64 0.00 3.76 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 96 L 8.43 4.58 0.00 1.48 1.51 0.80 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.76 4.43 0.00 3.89 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 98 S 8.68 4.06 0.00 3.90 3.89 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 99 E 8.25 3.97 0.00 2.05 1.89 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 2.35 2.36 0.00 100 G 7.80 3.54 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 0.00 101 R 8.02 3.27 0.00 1.81 1.52 0.00 3.12 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.40 0.00 102 R 7.98 3.92 0.00 1.80 1.95 0.00 3.27 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 103 N 8.19 4.41 0.00 2.85 2.96 0.00 0.00 6.89 6.21 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 0.00 104 L 7.87 3.88 0.00 1.68 1.38 0.93 1.23 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 0.00 105 Y 8.14 4.51 0.00 3.04 2.91 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 0.00 106 G 8.14 4.02 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 0.00 107 N 8.18 4.44 0.00 2.83 2.97 0.00 0.00 7.34 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.27 3.99 0.00 2.18 2.03 0.00 3.36 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 1.72 1.72 0.00 109 A 8.57 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 7.99 3.92 0.00 2.18 1.94 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.37 7.81 111 R 8.28 4.09 0.00 1.93 2.08 0.00 3.17 0.00 0.00 3.42 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 112 E 8.25 4.12 0.00 2.32 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 2.38 2.45 0.00 113 E 8.59 3.95 0.00 2.26 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 2.35 2.41 0.00 114 W 8.31 4.30 0.00 3.46 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.79 3.36 0.00 2.02 1.69 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.61 3.69 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.97 0.00 0.00 117 R 7.77 3.99 0.00 1.86 1.77 0.00 3.17 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 118 A 7.06 3.58 0.55 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 *120 H 8.14 4.39 0.00 3.22 3.40 0.00 5.69 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 0.00 121 A 7.45 4.41 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 0.00 122 C 7.88 4.68 0.00 2.98 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 0.00 123 L 7.42 4.93 0.00 1.49 1.53 0.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.99 4.70 0.00 2.88 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 0.00 125 E 8.54 3.89 0.00 2.12 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 2.38 1.94 0.00 126 S 8.06 4.23 0.00 4.08 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.39 4.01 0.00 2.28 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 2.31 2.43 0.00 128 R 8.09 3.93 0.00 2.00 1.95 0.00 3.03 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 129 A 8.08 4.03 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 0.00 130 L 7.80 3.92 0.00 1.94 1.72 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 131 L 7.84 3.99 0.00 1.85 1.72 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.90 3.98 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 0.00 133 A 7.90 4.05 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 0.00 134 A 8.37 4.31 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 0.00 135 G 7.99 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.42 0.00 2.17 2.12 0.00 3.62 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 2.16 2.18 0.00 137 L 7.90 4.23 0.00 1.80 1.70 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 138 L 7.91 4.03 0.00 1.83 1.72 0.94 0.45 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 0.00 139 T 7.86 3.87 4.42 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 1.23 0.00 0.00 140 R 7.63 3.94 0.00 1.86 2.10 0.00 3.29 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 141 L 8.10 4.13 0.00 1.89 1.66 0.89 0.91 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 0.00 142 A 8.38 4.14 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 0.00 143 Q 7.68 4.48 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 144 F 7.59 4.37 0.00 2.98 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 0.00 145 E 7.96 4.29 0.00 1.73 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 146 E 8.17 3.90 0.00 2.07 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 2.16 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.