NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4091 8.1927 115.4147 58.2488 64.4294 171.6402 2 V 4.1779 8.0920 120.2558 60.7305 32.8698 173.5258 3 R 4.6463 8.0704 125.3896 53.8881 33.2069 175.4665 4 K 4.1467 8.2681 120.5645 56.3662 32.9440 175.6525 5 I 4.7492 7.9766 125.6463 59.4349 38.8336 175.4650 6 L 4.2662 8.6065 126.1951 54.8793 42.3213 177.0239 7 R 4.6789 8.4849 121.9166 54.7984 32.5731 175.4173 8 M 4.1088 8.3971 122.3177 56.0517 32.0307 174.5596 9 G 3.4875 9.1600 119.2246 45.7800 0.0000 173.8147 10 D 4.4241 7.9691 122.1381 53.0729 41.6998 175.3294 11 P 4.3326 0.0000 0.0000 65.4740 31.9232 178.2521 12 I 3.5920 8.7321 120.8180 64.5153 37.1442 177.7762 13 L 4.1989 7.9119 118.9729 56.6408 41.1769 178.0198 14 R 4.8093 8.4831 117.1282 55.1072 31.5879 176.1996 15 K 4.4083 7.7605 118.3764 55.3285 33.7376 176.4699 16 I 4.2758 8.1062 123.5442 61.0980 37.7391 176.1438 17 S 4.6230 8.7461 124.1726 58.3423 63.7177 173.6514 18 E 4.7146 8.6476 121.2949 53.7893 32.2671 173.5363 19 P 4.6201 0.0000 0.0000 63.0579 32.4341 175.5691 20 V 4.5093 8.0875 120.8643 61.1853 33.6070 175.8092 21 T 4.1927 9.2791 119.8975 61.5183 69.5688 176.1937 22 E 4.1068 8.6480 118.6411 58.0287 30.1758 178.7754 23 D 4.6488 7.9479 117.1714 57.5119 41.7800 178.2184 24 E 3.8501 8.1923 119.5374 59.5681 29.2717 179.2843 25 I 2.0753 7.2418 110.3728 62.3104 37.5018 176.2263 26 Q 4.4532 8.0388 121.1506 57.1569 30.5183 177.0033 27 T 3.9855 7.6744 113.1457 61.6087 68.9816 180.9132 28 K 4.2574 8.8801 132.0423 59.8138 31.5223 178.8858 29 E 4.2478 8.1843 117.0900 61.3031 29.8681 182.1080 30 F 4.5800 8.2120 123.9900 61.8967 39.6424 177.7204 31 K 3.7613 8.5681 125.1455 60.7556 31.2490 181.6340 32 K 4.2361 7.8753 124.1234 59.4283 31.5222 181.4541 33 L 4.0653 7.9621 121.5599 58.5201 41.9588 178.5999 34 I 3.7094 7.6363 121.0133 65.3082 36.9044 178.5253 35 R 4.0133 8.0034 120.3734 61.9579 29.2515 180.3431 36 D 4.8157 8.2659 121.1410 56.8590 40.9141 178.6789 37 M 3.9345 8.7378 119.7210 58.9929 32.0222 178.4455 38 F 3.9345 8.5354 117.6391 61.1676 39.0000 177.6633 39 T 4.1286 8.6517 115.3705 67.3239 68.4112 176.8230 40 T 3.9511 8.2797 117.8337 66.6455 68.6262 176.5610 41 M 3.9868 8.4949 120.3368 58.8648 32.1843 178.1883 42 R 3.9863 8.4933 118.5421 59.6632 30.0188 178.4822 43 H 4.1220 7.8100 116.4487 59.2498 30.1119 176.6979 44 A 4.2305 7.7365 118.1742 51.7607 18.8711 176.5561 45 E 3.6379 7.7631 116.1270 57.3631 27.1959 174.5055 46 G 4.0338 7.9858 106.5704 44.5876 0.0000 173.9113 47 V 4.1561 7.9711 117.5993 63.3106 33.0542 174.9172 48 G 4.3807 7.7019 104.8098 46.4547 0.0000 172.0802 49 L 4.7786 8.6043 119.9376 53.7618 46.1773 173.4365 50 A 5.0433 8.7796 126.3611 50.0853 21.5624 176.9873 51 A 3.8383 8.8946 125.6700 54.8697 18.5725 178.4009 52 P 4.2643 0.0000 0.0000 66.3935 30.9996 178.2169 53 Q 4.2973 8.5548 118.0876 57.8856 28.3674 177.9620 54 I 4.7776 6.9957 112.8455 59.1911 38.3970 175.9917 55 G 4.0731 8.1657 108.9980 45.4835 0.0000 173.5494 56 I 4.3833 7.4377 120.3755 59.4743 39.1289 176.4963 57 L 4.5063 8.2038 128.2709 53.4085 39.9290 175.4284 58 K 5.0935 7.6487 118.3462 54.3820 36.7283 178.1907 59 Q 4.4322 8.8984 123.7677 55.8079 26.9347 173.3512 60 I 5.0502 7.8011 121.0344 59.2871 41.3237 174.2616 61 V 4.8450 9.3007 127.0087 60.9467 35.1613 174.3534 62 V 4.6236 8.5931 125.3026 61.1935 34.4570 174.6654 63 V 4.8232 8.8780 120.4285 59.1086 35.9189 175.2575 64 G 4.7694 8.2941 116.2998 47.2166 0.0000 174.0163 65 S 4.6552 9.9435 130.4987 57.5387 62.2478 171.2169 66 E 3.9445 9.2374 124.9791 57.0459 27.6310 179.8850 67 D 3.8179 7.9088 122.6148 55.4670 41.5790 175.6557 68 N 4.3723 8.1257 129.5384 52.5429 35.9068 175.8720 69 E 3.9184 8.6836 124.0432 55.6750 29.0740 177.3316 70 R 3.8665 8.7012 125.7438 56.7439 29.8395 174.5106 *71 Y 5.3218 6.6046 121.3297 56.8501 40.0408 176.5323 72 P 4.4019 0.0000 0.0000 62.3126 32.0720 176.9995 73 G 3.9444 9.0065 108.8178 46.3764 0.0000 174.7444 74 T 4.1314 7.3434 110.9529 57.7471 71.4915 177.9572 75 P 4.5676 0.0000 0.0000 62.0815 30.0641 177.4564 76 D 4.7313 8.3427 116.6359 51.1908 40.8145 171.5071 77 V 4.0395 8.1324 126.4611 61.0331 32.5670 173.5220 78 P 4.4953 0.0000 0.0000 62.5753 32.0401 176.0902 79 E 4.5089 8.8508 121.6509 57.3590 30.1722 176.2565 80 R 4.5746 8.8537 121.0484 55.9368 34.5203 172.8642 81 I 5.0114 8.6824 124.7848 59.7195 39.3625 174.9213 82 I 4.7243 8.8212 128.0314 59.4844 39.9459 174.6047 83 L 5.1221 8.8779 126.5283 53.4459 45.2492 176.4879 84 N 4.5355 8.5282 120.2508 53.7903 36.6425 172.8062 85 P 5.4339 0.0000 0.0000 62.5368 33.3660 177.7906 86 V 4.4191 8.3154 120.6534 61.7675 34.5832 173.7768 87 I 5.1311 8.4946 128.0948 60.1597 40.2335 175.4075 88 T 4.6421 8.3408 120.0235 61.4645 72.5598 172.0296 89 P 4.6662 0.0000 0.0000 62.8888 31.6762 176.2086 90 L 4.7074 9.0085 121.6914 55.2193 43.7586 176.2925 91 T 4.6370 7.6781 110.9757 60.6924 70.3928 173.1050 92 K 4.3783 8.4105 122.4306 56.5192 32.6015 176.9714 93 D 4.7616 7.7033 119.7448 54.3776 41.8720 175.4970 94 T 4.8518 8.4435 111.3607 60.0250 71.7848 173.3826 95 S 4.6575 8.4127 118.7702 56.6409 66.0630 174.2737 96 G 4.3435 8.8964 112.0018 45.8745 0.0000 172.1606 97 F 4.4394 6.9851 119.1708 57.0754 43.7438 173.1647 98 W 4.9948 8.9731 125.6330 56.0215 29.3098 175.7181 99 E 4.5751 8.9602 125.2961 55.1814 31.4105 175.8442 100 G 4.2870 8.0540 107.4691 44.8668 0.0000 171.4758 101 C 5.0082 8.9461 123.8093 57.0083 33.6241 174.3311 102 L 4.0540 8.8717 126.8512 58.2560 41.5278 178.6779 103 S 4.3981 8.1905 112.9583 59.9071 63.4304 173.5405 104 V 4.8205 9.3229 120.6195 59.6406 30.8473 172.2647 105 P 4.3891 0.0000 0.0000 63.9123 32.0786 177.4224 106 G 4.0821 9.2411 108.4555 46.3704 0.0000 172.3004 107 M 5.2230 7.6570 116.9961 53.4361 36.4679 174.9149 108 R 5.0914 9.0869 120.6106 54.5458 34.4567 174.7085 109 G 4.8783 9.2673 109.6828 44.5256 0.0000 170.9925 110 Y 4.1407 8.2263 124.2682 56.7170 39.6452 174.4814 111 V 4.3705 8.1315 126.4396 61.1152 35.0085 173.5901 112 E 4.7583 8.5666 127.4663 55.0662 30.5997 175.5500 113 R 4.7400 7.9499 122.4899 53.2373 34.5399 173.4918 114 P 4.7279 0.0000 0.0000 62.2707 32.1198 176.0643 115 N 4.9536 8.6835 117.3064 52.6943 39.1835 173.7896 116 Q 4.8498 7.8980 119.0382 54.9489 32.7004 173.6414 117 I 5.0493 8.8746 117.4943 59.0474 41.9845 174.5571 118 R 4.9579 9.1852 124.9560 55.3201 31.2532 174.2401 119 M 5.1988 8.6664 126.6954 54.0971 35.1897 174.6598 120 Q 5.1803 9.1685 123.0844 54.3155 32.5483 173.5376 121 W 5.6451 8.2982 123.6327 56.7385 31.9316 173.2143 122 M 5.3959 9.1382 115.0165 56.2903 35.8772 175.4332 123 D 5.3085 8.6208 124.5763 51.3063 42.0065 176.7753 124 E 3.7263 9.0065 118.5875 59.4052 29.4126 178.8775 125 K 4.1641 8.2117 116.0569 56.9191 32.6252 177.6346 126 G 3.9929 8.8842 107.4690 44.8458 0.0000 173.6654 127 N 4.1544 8.7297 121.4445 53.7385 39.0117 174.2942 128 Q 4.7243 8.0230 122.9875 54.0449 29.9729 172.7184 129 F 4.2873 7.3422 122.6429 55.0245 42.3220 174.7180 130 D 5.2436 7.6647 112.6264 54.6189 41.9875 174.0313 131 E 4.9471 8.4760 122.1260 54.2197 34.4730 174.2409 132 T 4.8931 8.5102 115.6294 61.0125 68.5694 173.8033 133 I 4.7343 8.9249 130.1660 60.0868 40.1577 174.1943 134 D 4.9811 7.7645 122.4689 52.7570 42.9464 175.8848 135 G 3.9198 7.9966 108.1598 45.9351 0.0000 174.3114 136 Y 3.8805 7.9937 117.7745 60.0929 39.4142 178.3366 137 K 3.2206 8.0787 119.0059 59.4436 32.1076 178.5546 138 A 3.7854 7.6876 120.5400 55.4200 18.0831 179.6480 139 I 3.3757 7.2009 117.2873 64.5672 37.2352 178.1619 140 V 3.2336 7.2792 119.0406 66.2626 31.1126 177.2157 141 Y 4.3218 8.2728 116.3560 61.7271 37.8578 179.1363 142 Q 3.8051 8.5130 118.7924 59.1825 28.5536 178.6370 143 H 4.0391 8.0556 118.3635 59.2977 30.2678 176.9062 144 E 4.0977 8.6845 120.5164 59.7722 29.3946 178.7416 145 C 3.9259 8.8629 119.7187 62.8112 31.3725 175.4791 146 D 4.2959 8.0911 120.3172 57.7650 40.3116 178.3748 147 H 4.0515 8.2368 116.4186 58.8376 28.6350 177.6531 148 L 4.1096 7.9352 120.6495 56.7988 41.1958 178.1959 149 Q 4.3022 7.8303 116.1175 55.1635 28.8792 175.4723 150 G 4.0017 7.6541 105.8052 47.8155 0.0000 173.8643 151 I 4.6424 7.6534 118.5401 58.9637 40.5237 175.2650 152 L 4.5727 8.3869 124.9956 52.6773 43.7434 177.0248 153 Y 3.8240 8.7085 120.9346 60.7810 37.1512 179.1885 154 V 2.7618 6.7981 118.8508 65.5944 31.1386 177.2516 155 D 4.4686 8.5390 118.1936 55.8294 40.6821 177.0495 156 R 4.4635 7.9273 117.1683 55.3236 30.7588 175.9998 157 L 3.8721 7.1826 117.4922 55.1585 42.1051 177.2773 158 K 4.0275 8.3058 124.9571 58.8392 32.5896 176.5465 159 D 4.7348 7.7679 117.5954 52.2912 43.8043 175.8784 160 T 4.0214 8.7149 116.8060 64.1779 69.0128 175.5554 161 K 4.1847 8.2350 121.7960 59.4832 32.7136 178.0920 162 L 4.6083 7.9110 120.8216 52.0354 39.9763 175.0340 163 F 5.3424 7.5854 116.9914 57.8728 43.0193 173.6218 164 G 3.7952 7.9671 111.3783 46.1077 0.0000 171.8088 165 F 4.9716 8.3660 117.9717 56.9605 40.3101 176.9531 166 N 4.3025 9.4505 123.9951 57.4775 38.2520 178.1761 167 E 3.9668 8.0636 117.8357 61.1326 29.9031 180.4266 168 T 4.6029 7.4937 106.9058 61.8491 69.7013 176.1145 169 L 4.1196 7.7830 121.5916 56.4612 43.1189 177.2166 170 D 4.6023 7.6238 120.5384 51.7876 39.5483 176.4679 171 S 4.1701 7.3531 118.1744 59.1562 63.7711 175.5899 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 S 8.19 4.41 0.00 4.02 4.08 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 2 V 8.09 4.18 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 0.73 0.00 0.00 0.93 0.00 0.00 3 R 8.07 4.65 0.00 1.79 1.80 0.00 3.21 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 4 K 8.27 4.15 0.00 1.78 1.66 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.46 7.81 5 I 7.98 4.75 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 1.41 0.73 0.97 0.00 0.00 6 L 8.61 4.27 0.00 1.53 1.61 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.48 4.68 0.00 1.75 1.86 0.00 3.34 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 8 M 8.40 4.11 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 9 G 9.16 3.49 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 0.00 0.00 0.00 10 D 7.97 4.42 0.00 2.73 2.57 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 11 P 0.00 4.33 0.00 2.25 2.29 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 12 I 8.73 3.59 1.96 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 1.46 1.32 0.91 0.00 0.00 13 L 7.91 4.20 0.00 1.77 1.71 1.01 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.48 4.81 0.00 1.75 1.90 0.00 3.24 0.00 0.00 3.22 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 15 K 7.76 4.41 0.00 1.63 1.72 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.41 7.81 16 I 8.11 4.28 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.46 0.91 0.00 0.00 17 S 8.75 4.62 0.00 3.78 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.65 4.71 0.00 2.05 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 2.27 0.00 19 P 0.00 4.62 0.00 1.95 2.07 0.00 3.64 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 2.04 2.25 0.00 20 V 8.09 4.51 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 0.76 0.00 0.00 1.04 0.00 0.00 21 T 9.28 4.19 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 22 E 8.65 4.11 0.00 2.01 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 2.23 1.91 0.00 23 D 7.95 4.65 0.00 2.68 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 24 E 8.19 3.85 0.00 1.77 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 2.30 2.28 0.00 25 I 7.24 2.08 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.25 0.48 0.00 0.00 26 Q 8.04 4.45 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 27 T 7.67 3.99 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 1.21 0.00 0.00 28 K 8.88 4.26 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.07 7.81 29 E 8.18 4.25 0.00 2.06 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 2.23 1.94 0.00 30 F 8.21 4.58 0.00 3.15 3.33 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 31 K 8.57 3.76 0.00 1.80 1.84 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.46 1.11 7.81 32 K 7.88 4.24 0.00 1.72 1.84 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.31 7.81 33 L 7.96 4.07 0.00 1.69 1.64 0.90 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.64 3.71 1.90 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.34 1.09 0.00 0.00 35 R 8.00 4.01 0.00 1.85 1.98 0.00 3.28 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 36 D 8.27 4.82 0.00 2.89 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 37 M 8.74 3.93 0.00 1.81 2.15 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 2.70 2.53 0.00 38 F 8.54 3.93 0.00 3.27 3.05 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 39 T 8.65 4.13 4.45 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 1.24 0.00 0.00 40 T 8.28 3.95 4.38 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 1.23 0.00 0.00 41 M 8.49 3.99 0.00 2.09 1.96 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 2.57 2.68 0.00 42 R 8.49 3.99 0.00 1.88 2.04 0.00 3.41 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 43 H 7.81 4.12 0.00 3.24 3.53 0.00 5.75 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.74 4.23 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 45 E 7.76 3.64 0.00 2.10 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 2.24 2.36 0.00 46 G 7.99 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 47 V 7.97 4.16 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 1.03 0.00 0.00 1.00 0.00 0.00 48 G 7.70 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 82 I 8.82 4.72 1.65 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.61 0.42 0.00 0.00 83 L 8.88 5.12 0.00 1.84 1.61 1.15 0.81 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 84 N 8.53 4.54 0.00 2.89 2.86 0.00 0.00 7.04 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 5.43 0.00 2.00 1.96 0.00 3.35 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.74 0.00 86 V 8.32 4.42 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 1.02 0.00 0.00 0.97 0.00 0.00 87 I 8.49 5.13 1.87 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 1.34 0.74 0.92 0.00 0.00 88 T 8.34 4.64 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 1.22 0.00 0.00 89 P 0.00 4.67 0.00 1.93 1.97 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 90 L 9.01 4.71 0.00 1.58 1.69 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.68 4.64 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 1.23 0.00 0.00 92 K 8.41 4.38 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.39 7.81 93 D 7.70 4.76 0.00 2.65 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 94 T 8.44 4.85 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 1.19 0.00 0.00 95 S 8.41 4.66 0.00 3.74 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.90 4.34 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 0.00 97 F 6.99 4.44 0.00 2.95 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 W 8.97 4.99 0.00 3.25 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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4.95 0.00 2.80 2.98 0.00 0.00 5.73 7.15 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 0.00 116 Q 7.90 4.85 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 117 I 8.87 5.05 1.89 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 1.22 1.17 0.90 0.00 0.00 118 R 9.19 4.96 0.00 1.90 1.89 0.00 3.11 0.00 0.00 3.13 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 119 M 8.67 5.20 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 120 Q 9.17 5.18 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.23 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 121 W 8.30 5.65 0.00 3.56 3.07 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 0.00 122 M 9.14 5.40 0.00 2.15 1.89 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.29 0.00 123 D 8.62 5.31 0.00 3.08 3.15 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 0.00 124 E 9.01 3.73 0.00 2.13 2.43 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 2.48 2.63 0.00 125 K 8.21 4.16 0.00 1.98 1.88 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.17 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.53 7.81 126 G 8.88 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 0.00 127 N 8.73 4.15 0.00 2.67 2.11 0.00 0.00 6.92 8.25 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 0.00 128 Q 8.02 4.72 0.00 1.82 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.79 0.00 0.00 0.00 0.00 0.00 2.19 1.93 0.00 129 F 7.34 4.29 0.00 1.51 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 7.66 5.24 0.00 2.60 2.51 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 0.00 131 E 8.48 4.95 0.00 2.25 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 2.42 2.48 0.00 132 T 8.51 4.89 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 133 I 8.92 4.73 1.88 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.98 0.75 0.00 0.00 134 D 7.76 4.98 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 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 0.00 0.00 0.00 136 Y 7.99 3.88 0.00 3.01 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 8.08 3.22 0.00 1.46 0.96 0.00 1.50 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.40 7.81 138 A 7.69 3.79 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 0.00 139 I 7.20 3.38 1.43 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 1.46 0.61 0.50 0.00 0.00 140 V 7.28 3.23 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 0.79 0.00 0.00 0.15 0.00 0.00 141 Y 8.27 4.32 0.00 3.01 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 0.00 142 Q 8.51 3.81 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 143 H 8.06 4.04 0.00 3.08 3.50 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.68 4.10 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 145 C 8.86 3.93 0.00 2.87 2.96 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 0.00 146 D 8.09 4.30 0.00 2.99 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 H 8.24 4.05 0.00 3.37 3.34 0.00 5.61 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 7.94 4.11 0.00 1.83 1.71 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 7.83 4.30 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 150 G 7.65 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 4.64 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.83 0.86 0.00 0.00 152 L 8.39 4.57 0.00 1.52 1.37 0.86 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 153 Y 8.71 3.82 0.00 3.17 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 0.00 154 V 6.80 2.76 1.66 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 0.65 0.00 0.00 0.02 0.00 0.00 155 D 8.54 4.47 0.00 2.59 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 0.00 156 R 7.93 4.46 0.00 1.80 1.86 0.00 3.15 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 157 L 7.18 3.87 0.00 1.50 1.51 -0.07 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 158 K 8.31 4.03 0.00 1.71 1.90 0.00 1.97 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.39 7.81 159 D 7.77 4.73 0.00 2.69 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 0.00 160 T 8.71 4.02 4.32 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 1.18 0.00 0.00 161 K 8.24 4.18 0.00 1.86 1.98 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.68 7.81 162 L 7.91 4.61 0.00 1.82 1.42 0.74 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 163 F 7.59 5.34 0.00 2.89 3.17 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 0.00 164 G 7.97 3.80 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 0.00 0.00 0.00 165 F 8.37 4.97 0.00 3.02 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 N 9.45 4.30 0.00 2.81 2.89 0.00 0.00 6.99 7.89 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 0.00 167 E 8.06 3.97 0.00 2.06 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 2.24 1.99 0.00 168 T 7.49 4.60 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 1.19 0.00 0.00 169 L 7.78 4.12 0.00 1.54 1.47 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 170 D 7.62 4.60 0.00 2.61 2.57 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 0.00 171 S 7.35 4.17 0.00 3.93 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 * Residues marked with a * may have inaccurate shift predictions.