NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2586 8.4449 120.2265 56.2235 30.5742 174.6677 4 E 4.3707 8.4803 124.0821 54.5370 30.9655 173.7544 5 H 5.0220 9.1117 120.4762 55.1277 34.1895 172.5019 6 T 4.6634 8.8388 116.9664 62.4148 72.9680 173.1090 7 I 5.0191 8.5769 126.9832 59.6900 39.6311 174.8446 8 I 4.3698 8.9120 128.6665 59.3573 39.7241 174.3265 9 Q 4.0448 8.3373 127.7485 53.8621 30.5857 174.3162 10 A 4.8325 8.2592 127.9506 50.1842 22.5015 174.4352 11 E 5.5763 8.7797 117.0720 56.0896 32.7434 173.8805 12 F 5.0620 8.0148 114.8153 56.5829 41.4536 171.8008 13 Y 5.2913 8.7715 119.3652 55.8898 42.2789 173.1686 14 L 4.7804 8.5689 128.3565 53.1322 45.0162 175.2017 15 L 5.0867 8.3280 124.6666 52.3187 44.9421 174.8339 16 P 4.5677 0.0000 0.0000 63.7409 31.8367 177.0094 17 D 4.3374 8.0487 118.9226 55.5848 41.1671 176.0694 18 K 3.7532 7.5977 116.6318 57.0032 30.0014 175.5217 19 R 4.6910 7.1941 116.2414 54.3083 34.0577 176.3944 20 G 4.5436 8.6753 108.8107 44.6716 0.0000 171.2835 21 E 4.7309 8.1107 119.5921 54.7156 33.8088 173.9462 22 F 5.1996 8.5509 126.7610 57.2707 42.7853 172.8170 23 M 4.9431 8.7228 122.9671 54.2060 35.3879 173.3358 24 F 4.8217 8.4692 117.5440 55.4926 42.7459 174.1419 25 D 5.3869 9.4470 121.7352 52.4128 44.7984 174.1098 26 F 5.1606 9.3982 127.4791 56.6381 42.1821 174.5478 27 D 4.2559 9.6396 128.1050 55.1326 38.8082 175.1266 28 G 4.0337 8.6447 107.0993 45.0677 0.0000 173.8813 29 D 5.0717 7.8913 119.6308 51.8510 43.5748 175.2064 30 E 4.5671 8.8085 123.9124 56.7719 30.6050 176.3723 31 I 4.6200 9.2376 128.0247 63.3400 38.6104 175.5651 32 F 5.2003 7.5317 114.2422 56.7480 40.5711 171.8777 33 H 5.1656 8.6799 114.0755 54.1611 32.4471 172.0829 34 V 4.6651 8.5250 119.7884 61.2084 33.0676 174.7984 35 D 4.5202 9.0928 128.7169 54.2635 41.3162 176.7736 36 I 3.7044 8.7008 127.7569 64.7365 37.4528 177.5835 37 E 4.1144 8.4006 117.7587 59.6719 29.2594 178.5946 38 K 4.1063 8.1041 114.5666 56.5216 32.6667 176.7999 39 S 3.7616 7.7953 113.1386 58.9558 61.2260 170.9159 40 E 4.8524 7.5229 115.1259 54.8282 33.7689 175.0035 41 T 4.3487 8.4303 117.5526 63.1890 69.7112 174.2601 42 I 4.3548 8.4316 127.4424 59.1495 39.6035 174.9282 43 W 5.0306 8.7758 127.7476 56.1853 29.2687 177.0245 44 R 4.0870 9.2394 125.1554 58.4814 29.9722 176.7824 45 L 4.4854 7.2177 117.3928 52.0982 44.5589 176.3054 46 E 3.9393 9.0230 124.2286 59.8684 29.1273 179.2208 47 E 3.9785 8.2303 116.5705 59.8863 29.0523 179.0446 48 F 4.3413 8.2104 118.5953 60.5030 38.5588 177.1358 49 A 2.7395 7.4871 120.4540 54.3492 17.8025 179.0350 50 K 3.8083 7.3732 113.6796 57.8514 33.0591 177.4289 51 F 4.4106 7.6714 117.1259 57.6795 40.3744 174.6302 52 A 4.5164 6.9600 121.6232 51.7126 22.2196 174.8733 53 S 5.1336 8.2176 112.6566 57.5641 65.8140 173.3334 54 F 4.6249 8.3666 121.8447 56.5617 42.2580 173.8426 55 E 4.0753 7.2173 127.2880 54.3010 29.1614 175.8825 56 A 4.1098 8.4652 129.3637 55.5626 18.3943 178.6210 57 Q 3.9645 7.7384 113.1099 59.3069 28.8195 179.8315 58 G 3.5122 7.8557 105.9720 47.6904 0.0000 175.6684 59 A 3.3940 7.8841 123.1992 54.6192 18.2654 179.7287 60 L 3.9255 7.7021 116.8341 57.6929 41.7045 179.4877 61 A 3.9683 8.0625 120.7947 55.2339 18.3370 179.2741 62 N 4.3442 8.0512 114.7728 56.7316 38.6648 177.6902 63 I 3.8944 8.0052 120.8151 64.3064 37.2206 178.2493 64 A 3.9064 8.0046 121.6538 55.1947 18.0908 179.8970 65 V 3.5445 7.9123 116.6725 66.2156 31.6030 178.0682 66 D 4.4031 8.2573 118.7907 57.0335 40.3947 178.7046 67 K 3.3542 8.1230 118.3535 59.2537 32.1875 178.7253 68 A 4.1148 7.7157 120.5377 55.4871 18.3681 179.4528 69 N 4.3084 8.4978 115.2327 56.2913 38.4438 177.3578 70 L 4.0707 8.1414 121.8753 58.3497 42.2324 178.8302 71 D 4.3727 7.9797 118.8973 57.2196 40.6253 178.9854 72 V 3.5986 7.6245 118.3208 66.3402 31.5515 177.8245 73 M 4.0759 8.5566 118.8362 58.2721 31.5995 178.9496 74 K 3.9832 8.3794 118.9435 59.5153 32.0501 179.0550 75 E 3.9494 7.8204 117.8387 59.2565 29.6491 178.5674 76 R 4.0319 8.2862 118.4427 58.7615 30.1520 177.8692 77 S 4.6423 7.9644 115.5751 57.9812 63.8680 172.8146 *78 N 3.8326 8.6764 122.4035 53.5983 35.2177 176.8568 *79 N 4.3145 8.7238 124.4347 53.5683 34.6974 173.4950 *80 T 4.1995 8.1722 114.8940 62.9567 69.3289 176.2919 *81 P 4.4690 0.0000 0.0000 64.2471 31.8242 181.6317 *82 D 4.3931 7.9409 116.9627 53.4090 43.5298 174.3835 83 A 4.5124 8.3918 121.2028 54.1127 20.8897 175.4158 84 N 4.8034 8.2506 110.9175 52.4993 40.0417 172.8290 85 V 4.3708 8.6387 118.0785 60.7618 33.6924 174.7620 86 A 4.4110 8.7465 130.2461 51.3967 19.0303 175.0380 87 P 4.7641 0.0000 0.0000 62.4298 33.0760 175.1307 88 E 4.5416 8.7998 120.5865 55.1425 31.4661 175.4687 89 V 4.7562 8.1406 122.4108 61.4783 34.6165 174.6504 90 T 4.8869 8.8470 122.6766 61.9340 73.2771 172.9711 91 V 5.5198 8.6866 123.0745 60.1750 34.5431 174.3476 92 L 4.9843 8.3632 126.2922 54.4272 43.9652 174.9624 93 S 4.5151 8.5880 114.5907 58.0058 63.8577 174.2965 94 R 4.2434 8.9761 123.2439 59.1556 30.2190 176.3349 95 S 4.7575 7.9184 109.5794 55.2927 66.4194 171.2683 96 P 4.2284 0.0000 0.0000 63.3323 31.3044 176.1645 97 V 4.1509 8.5643 122.5636 61.7689 32.5351 174.6603 98 N 5.0128 8.3627 123.9154 50.9493 41.1969 173.6058 99 L 3.6257 8.3633 122.4253 56.3272 42.1114 178.2223 100 G 3.8144 8.1200 110.0752 45.4944 0.0000 173.0338 101 E 4.2234 7.8962 120.9636 53.6693 29.6110 173.8190 102 P 4.0999 0.0000 0.0000 63.5235 32.1463 175.2068 103 N 4.8681 8.0481 119.3151 52.5438 42.9962 172.1608 104 I 5.2310 9.1435 118.3860 59.8775 41.6032 174.7219 105 L 4.4868 8.8104 126.9531 53.5291 43.6702 175.5338 106 I 5.0476 8.8952 123.9801 59.7446 40.2103 173.6742 107 C 4.9050 9.6039 128.1034 54.9959 46.6176 172.1813 108 F 5.0056 9.3883 130.7909 56.9604 40.5934 174.4110 109 I 4.4671 8.1190 128.1991 59.5577 39.0022 174.4677 110 D 4.8167 8.3371 126.3445 51.6206 45.0523 174.8018 111 K 3.7495 8.3702 119.0875 57.2999 29.4467 173.5532 112 F 5.1979 7.3518 112.9455 55.4509 42.6548 175.2172 113 S 4.9037 8.4151 110.5819 56.7571 66.1756 174.0690 114 P 4.5456 0.0000 0.0000 61.8820 31.9349 175.2015 115 P 3.8339 0.0000 0.0000 60.5811 29.4095 175.0557 116 V 4.2409 6.9887 121.0128 62.2753 34.8478 173.6401 117 V 4.5970 8.2011 118.4496 60.3281 36.0605 173.1831 118 N 4.9000 8.7196 120.0471 51.6022 41.1232 173.7187 119 V 4.6502 8.3118 123.6853 61.1810 34.1939 174.7509 120 T 4.6562 8.8469 123.7734 61.5705 72.2743 172.8756 121 W 5.1543 8.8486 125.9226 55.7584 31.2953 175.1639 122 L 5.3548 9.4813 124.1680 52.9126 44.9803 175.4230 123 R 4.2333 8.9288 123.8196 54.4004 32.5712 175.2587 124 N 3.1400 8.7379 126.3752 53.8675 36.5561 175.6986 125 G 4.0279 8.2584 103.3352 45.7170 0.0000 173.8928 126 R 4.6656 7.6318 119.4364 53.0603 32.2918 173.9405 127 P 4.8554 0.0000 0.0000 62.7834 31.9237 175.7167 128 V 4.4392 8.6618 122.2374 61.3622 33.2589 175.1220 129 T 4.6512 8.6306 114.8138 61.0564 69.9922 173.1952 130 E 4.5887 8.2173 122.0714 55.9727 31.5597 175.7596 131 G 3.8308 8.9260 110.9503 46.6222 0.0000 172.8978 132 V 5.5857 7.7532 110.3427 58.6161 35.8296 174.7420 133 S 4.8470 8.5812 115.6960 58.3488 66.2950 172.4221 134 E 5.2259 8.6224 117.0305 56.0079 32.0060 174.1456 135 T 4.6107 8.3164 111.1572 60.2339 71.6004 174.2572 136 V 3.8504 7.9150 115.0457 60.0812 33.3613 175.4492 137 F 4.4310 8.7966 120.2953 57.9231 38.8745 175.8106 138 L 4.8344 9.0908 125.2357 52.9612 43.4160 174.9535 139 P 4.5424 0.0000 0.0000 62.9637 32.2137 175.2995 140 R 4.7253 7.5393 119.5604 54.3276 33.4243 176.4087 141 D 4.4614 8.8026 118.6686 56.6806 41.7210 177.3156 142 D 4.9068 6.9876 117.7754 53.4033 39.4072 176.7545 143 H 4.4516 8.7277 115.4928 55.4907 28.8363 174.6530 144 L 4.3200 7.7693 121.2670 53.5736 44.5678 174.9758 145 F 5.1915 8.4215 118.5662 55.7455 42.5394 174.8742 146 R 5.2347 8.7905 115.7174 55.0985 33.3498 173.7752 147 K 4.8678 8.8360 119.2068 55.6029 36.4151 174.0385 148 F 5.3123 9.1369 123.4471 56.0125 42.4955 173.9144 149 H 5.3660 8.9429 119.4473 54.2084 32.4212 172.4913 150 Y 5.5681 9.5685 118.6840 56.3048 42.3124 174.2618 151 L 4.7093 8.3232 124.1010 53.3504 45.0464 175.5722 152 T 4.7873 8.6698 124.0132 63.4729 69.5252 174.0047 153 F 4.8714 8.8499 118.8358 55.9856 41.9547 172.9187 154 L 4.5822 8.3631 119.8593 52.2679 42.3745 174.9133 155 P 4.4941 0.0000 0.0000 63.0811 32.3131 175.7375 156 S 4.5527 8.4550 116.3595 57.3167 65.1369 174.5530 157 T 4.3751 8.7005 116.1764 63.6453 68.9449 174.7239 158 D 4.8407 7.8621 120.0802 53.1898 40.3506 175.9401 159 D 5.0037 7.9852 119.7424 53.2013 42.9548 175.1554 160 F 5.3111 8.1324 114.6803 55.7778 41.7734 173.0042 161 Y 5.3888 9.6726 117.3633 56.8001 42.2874 174.1900 162 D 5.3772 9.3386 119.2532 53.3731 46.2491 173.6448 163 C 4.6087 9.3030 123.0047 54.7668 42.0947 171.8729 164 E 4.9732 9.1081 128.5019 54.5514 31.3076 174.4971 165 V 4.6798 8.9993 127.4245 60.9723 34.5732 173.4728 166 D 5.2269 8.9102 127.5528 52.7854 43.9830 174.0841 167 H 4.9032 8.5058 123.4302 54.3278 33.0735 173.9903 168 W 4.5384 8.6155 124.0404 59.9386 29.0049 177.4230 169 G 3.9796 8.2769 104.2945 45.6694 0.0000 173.0032 170 L 4.6901 7.8445 120.6916 52.7142 43.2083 176.2590 171 E 4.0404 8.6781 123.2410 58.5811 29.8076 176.8156 172 E 4.8016 7.5618 115.4036 52.9664 32.7826 173.6268 173 P 4.4038 0.0000 0.0000 63.4263 31.8614 175.3228 174 L 4.4401 9.0903 125.2480 54.3088 43.8465 175.4649 175 R 4.9925 8.4766 123.7527 54.5426 33.0513 174.6384 176 K 4.6194 8.8897 124.4532 54.9081 34.2984 175.5642 177 H 5.6008 8.8581 124.4834 54.7818 31.6355 174.0146 178 W 5.1785 8.9353 132.7506 56.2528 34.3382 173.2972 179 E 4.8937 7.3465 124.7207 54.3405 33.2114 174.9659 180 F 3.9787 8.5504 124.4602 57.8016 40.3678 174.7400 181 E 4.0939 6.9576 125.0076 54.4528 33.1492 175.3294 182 E 4.0034 8.2697 121.6416 56.5956 29.6414 176.5168 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 E 8.44 4.26 0.00 2.01 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 2.30 2.46 0.00 4 E 8.48 4.37 0.00 1.94 1.80 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 2.20 2.30 0.00 5 H 9.11 5.02 0.00 3.16 3.10 0.00 5.68 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.84 4.66 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 1.17 0.00 0.00 7 I 8.58 5.02 2.02 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.83 1.27 0.00 0.00 8 I 8.91 4.37 1.79 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 1.05 0.79 0.78 0.00 0.00 9 Q 8.34 4.04 0.00 0.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 1.16 1.64 0.00 10 A 8.26 4.83 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.78 5.58 0.00 2.12 1.72 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 2.17 2.31 0.00 12 F 8.01 5.06 0.00 3.09 3.26 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 0.00 13 Y 8.77 5.29 0.00 3.17 2.95 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 14 L 8.57 4.78 0.00 1.50 1.38 0.70 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.33 5.09 0.00 1.66 1.55 1.04 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.57 0.00 2.23 2.20 0.00 4.00 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 17 D 8.05 4.34 0.00 2.55 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 18 K 7.60 3.75 0.00 1.94 1.96 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.58 7.81 19 R 7.19 4.69 0.00 1.64 1.78 0.00 3.01 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 20 G 8.68 4.54 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 21 E 8.11 4.73 0.00 1.37 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 22 F 8.55 5.20 0.00 3.08 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.72 4.94 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 24 F 8.47 4.82 0.00 2.32 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 25 D 9.45 5.39 0.00 2.63 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 26 F 9.40 5.16 0.00 3.16 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 D 9.64 4.26 0.00 2.26 2.45 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 28 G 8.64 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.89 5.07 0.00 2.84 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 30 E 8.81 4.57 0.00 2.03 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 2.50 2.41 0.00 31 I 9.24 4.62 2.14 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 1.42 0.73 1.31 0.00 0.00 32 F 7.53 5.20 0.00 2.74 3.03 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 0.00 0.00 0.00 33 H 8.68 5.17 0.00 3.29 3.46 0.00 5.24 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.52 4.67 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 0.84 0.00 0.00 1.12 0.00 0.00 35 D 9.09 4.52 0.00 2.81 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.70 3.70 1.92 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 1.05 0.96 0.00 0.00 37 E 8.40 4.11 0.00 1.98 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 2.36 2.32 0.00 38 K 8.10 4.11 0.00 1.80 1.87 0.00 2.03 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.40 7.81 39 S 7.80 3.76 0.00 3.99 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 40 E 7.52 4.85 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 2.41 2.34 0.00 41 T 8.43 4.35 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 -0.26 0.00 0.00 42 I 8.43 4.35 1.52 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 1.14 0.93 0.94 0.00 0.00 43 W 8.78 5.03 0.00 3.23 3.38 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 44 R 9.24 4.09 0.00 2.01 2.21 0.00 3.32 0.00 0.00 3.58 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.67 0.00 45 L 7.22 4.49 0.00 0.27 0.85 0.71 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.02 3.94 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 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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 1.79 0.92 0.98 0.00 0.00 64 A 8.00 3.91 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.91 3.54 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 1.13 0.00 0.00 0.97 0.00 0.00 66 D 8.26 4.40 0.00 2.94 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 67 K 8.12 3.35 0.00 1.55 1.54 0.00 1.43 0.00 0.00 1.43 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 0.21 7.81 68 A 7.72 4.11 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 69 N 8.50 4.31 0.00 2.88 2.91 0.00 0.00 6.73 6.44 0.00 0.00 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 8.14 4.07 0.00 2.01 2.01 1.00 1.38 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 71 D 7.98 4.37 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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3.04 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 0.00 122 L 9.48 5.35 0.00 1.75 1.59 0.99 0.62 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 0.00 123 R 8.93 4.23 0.00 1.71 1.63 0.00 3.36 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.72 0.00 124 N 8.74 3.14 0.00 2.51 2.50 0.00 0.00 7.11 7.27 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 0.00 125 G 8.26 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 126 R 7.63 4.67 0.00 1.79 1.81 0.00 3.29 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.63 0.00 127 P 0.00 4.86 0.00 2.20 2.10 0.00 3.47 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 128 V 8.66 4.44 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 0.87 0.00 0.00 1.05 0.00 0.00 129 T 8.63 4.65 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 130 E 8.22 4.59 0.00 1.97 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 2.24 2.23 0.00 131 G 8.93 3.83 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 0.00 0.00 0.00 132 V 7.75 5.59 2.33 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 0.61 0.00 0.00 1.08 0.00 0.00 133 S 8.58 4.85 0.00 3.96 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 0.00 134 E 8.62 5.23 0.00 1.57 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 135 T 8.32 4.61 4.37 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 1.43 0.00 0.00 136 V 7.92 3.85 2.32 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 0.46 0.00 0.00 0.91 0.00 0.00 137 F 8.80 4.43 0.00 3.29 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 0.00 138 L 9.09 4.83 0.00 1.78 1.72 1.31 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.54 0.00 1.98 1.99 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 140 R 7.54 4.73 0.00 1.73 1.81 0.00 3.24 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 141 D 8.80 4.46 0.00 2.63 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 0.00 142 D 6.99 4.91 0.00 2.81 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 0.00 143 H 8.73 4.45 0.00 3.16 3.35 0.00 5.70 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.77 4.32 0.00 1.46 1.58 0.79 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 145 F 8.42 5.19 0.00 2.00 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 0.00 146 R 8.79 5.23 0.00 1.85 2.16 0.00 3.14 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 147 K 8.84 4.87 0.00 1.94 1.63 0.00 1.06 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.30 7.81 148 F 9.14 5.31 0.00 2.87 2.37 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 0.00 149 H 8.94 5.37 0.00 2.86 3.25 0.00 5.56 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 0.00 150 Y 9.57 5.57 0.00 2.86 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 0.00 151 L 8.32 4.71 0.00 0.27 0.13 0.62 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 152 T 8.67 4.79 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 1.15 0.00 0.00 153 F 8.85 4.87 0.00 2.99 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 0.00 154 L 8.36 4.58 0.00 1.54 1.59 0.89 0.90 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 0.00 155 P 0.00 4.49 0.00 1.68 1.63 0.00 3.29 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.09 0.00 156 S 8.46 4.55 0.00 3.83 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 0.00 157 T 8.70 4.38 4.37 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 1.43 0.00 0.00 158 D 7.86 4.84 0.00 2.80 2.87 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 0.00 159 D 7.99 5.00 0.00 2.86 2.39 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 0.00 160 F 8.13 5.31 0.00 3.15 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 Y 9.67 5.39 0.00 3.16 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 0.00 162 D 9.34 5.38 0.00 2.73 2.61 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 0.00 163 C 9.30 4.61 0.00 2.42 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 0.00 164 E 9.11 4.97 0.00 1.98 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 2.16 2.20 0.00 165 V 9.00 4.68 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 0.61 0.00 0.00 0.62 0.00 0.00 166 D 8.91 5.23 0.00 2.66 2.41 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 0.00 167 H 8.51 4.90 0.00 3.08 3.00 0.00 5.94 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 0.00 168 W 8.62 4.54 0.00 3.31 3.04 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 0.00 169 G 8.28 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 0.00 170 L 7.84 4.69 0.00 1.72 1.74 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 171 E 8.68 4.04 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 172 E 7.56 4.80 0.00 2.02 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 0.00 2.15 2.24 0.00 173 P 0.00 4.40 0.00 2.06 2.09 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 174 L 9.09 4.44 0.00 1.68 1.61 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 175 R 8.48 4.99 0.00 1.68 1.83 0.00 3.30 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 176 K 8.89 4.62 0.00 1.65 1.76 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.60 7.81 177 H 8.86 5.60 0.00 3.21 3.25 0.00 5.54 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 0.00 178 W 8.94 5.18 0.00 3.52 3.11 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 0.00 179 E 7.35 4.89 0.00 1.62 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 180 F 8.55 3.98 0.00 3.27 3.24 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 0.00 181 E 6.96 4.09 0.00 1.60 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 0.00 1.93 1.95 0.00 182 E 8.27 4.00 0.00 1.91 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 0.00 2.66 2.49 0.00 * Residues marked with a * may have inaccurate shift predictions.