NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 K 4.3195 8.2993 119.9938 56.6442 33.9262 174.6585 11 V 4.0543 8.0733 118.9164 59.5368 33.7321 173.4074 12 T 4.4424 8.9643 121.6264 61.5987 71.3868 174.5902 13 F 4.7759 8.7492 125.1058 55.8571 40.6622 174.9907 14 N 5.1482 8.4287 121.9484 51.6597 41.7178 173.1226 15 N 4.7838 8.1613 117.1118 52.6218 39.8735 173.3204 16 T 4.6670 8.1484 111.9741 60.1631 70.5856 172.8336 17 V 4.4351 8.2830 125.5181 61.1100 34.0778 175.0557 18 V 4.5126 8.0411 118.6266 59.3067 35.4860 174.2600 19 D 4.5160 8.5123 120.8522 53.4569 41.6626 175.8127 20 A 4.3759 8.2931 129.4019 50.6277 19.9229 175.0757 21 P 4.2419 0.0000 0.0000 62.0347 32.2364 177.1720 22 C 4.8447 9.6532 118.7346 57.2144 39.3379 173.2621 23 S 5.1032 8.9496 116.4240 56.4765 65.0267 172.8219 24 I 5.7081 8.4038 118.1916 58.7955 40.6382 174.1093 25 S 4.6562 8.0383 115.5387 58.0440 66.4561 172.8564 26 Q 4.9610 8.3613 120.7508 54.6112 32.9681 177.0151 27 K 3.9852 8.8863 120.7782 57.0112 32.0019 174.2159 28 S 4.7211 7.7784 112.8535 56.3870 64.4686 175.0139 29 A 3.9185 8.7267 127.4935 54.7061 18.2403 177.6076 30 D 4.6627 8.0838 112.9857 52.3632 40.2459 176.5800 31 Q 3.8829 8.3004 116.9788 56.2777 26.4212 172.3019 32 S 4.7941 8.3866 110.6002 56.4851 66.9791 173.9505 33 I 4.4379 7.9166 113.0705 58.9436 39.9434 173.9984 34 D 4.6568 8.3898 123.3126 52.9772 42.1183 175.9013 35 F 4.4049 8.9488 124.0127 56.9283 39.8053 177.5054 36 G 3.9252 7.8494 109.9809 45.1313 0.0000 173.2829 37 Q 4.4721 8.4536 117.4631 55.2110 29.9080 175.2621 38 L 4.8508 8.0470 119.5222 52.1693 45.8499 176.7911 39 S 4.4340 8.7339 118.6985 58.3093 63.3728 175.7016 40 K 4.0169 8.7989 134.5909 59.9689 31.4948 175.6563 41 S 4.3249 8.0784 115.3317 61.1715 62.8968 176.1033 42 F 4.1386 8.6078 124.7883 61.0918 39.3218 177.0846 43 L 4.3151 8.1709 119.9003 57.2550 41.1603 179.1947 44 E 3.8953 8.3341 118.5910 59.0410 29.6935 178.1698 45 A 4.1866 7.8803 118.9420 52.3952 18.6050 177.8221 46 G 3.9114 7.3449 105.0560 44.7713 0.0000 174.4856 47 G 2.8887 7.7533 107.6427 45.3004 0.0000 173.2833 48 V 4.8951 8.0045 119.8936 60.4437 34.8312 175.2196 49 S 4.6434 8.5485 119.8524 57.5747 64.1436 173.7562 50 K 4.3034 8.6161 122.5180 55.6714 32.7110 174.5509 51 P 4.6811 0.0000 0.0000 63.4416 31.8732 175.4764 52 M 4.5263 9.3191 124.8696 53.8610 34.1581 175.3006 53 D 4.7786 8.6548 122.7314 54.5205 41.9685 176.0280 54 L 4.5560 9.3351 127.5823 53.3924 43.1142 173.4617 55 D 5.4459 8.3782 124.5500 52.3248 43.5998 175.1161 56 I 4.5075 8.4765 124.0483 59.3969 40.0051 174.2295 57 E 4.5944 8.9035 129.6485 55.2586 30.8786 175.0687 58 L 4.8280 8.8247 128.4605 54.1391 42.5106 176.4582 59 V 4.3919 8.9353 117.0081 58.9753 36.2265 175.3179 60 N 4.3332 8.8768 114.9330 53.9464 35.9737 172.8833 61 C 4.7827 7.9855 112.6729 54.9854 43.2575 173.2078 62 D 4.7557 8.6736 120.9550 52.5759 39.4165 175.6195 63 I 4.5197 8.3441 122.9034 60.3232 35.8629 174.2166 64 T 4.6598 7.3753 109.9674 62.2066 67.7862 175.1530 65 A 4.5720 7.9912 121.5360 52.8570 22.2029 177.2567 66 F 4.7136 8.5042 113.1745 56.8817 40.2498 175.9531 67 K 4.5162 8.0568 120.2010 56.2663 32.5677 176.1492 68 G 4.1462 7.8784 108.0916 44.9088 0.0000 173.1420 69 G 3.8931 9.0227 112.0029 46.1643 0.0000 174.1928 *74 K 4.1391 7.7742 120.5564 54.2458 33.1732 179.0525 75 G 4.1253 8.0845 104.0575 46.0331 0.0000 172.6726 76 T 4.3584 8.3338 112.3636 61.2616 70.4195 173.9107 77 V 4.3064 7.2368 123.9072 61.6309 33.8270 175.6776 78 K 4.2153 8.6271 132.4955 54.8528 33.2166 172.3012 79 L 4.9892 8.1890 124.7889 52.7834 45.3252 174.8470 80 A 4.8518 8.3546 125.2591 51.0907 23.1943 174.9218 81 F 5.3224 8.8078 118.2704 56.3378 42.0830 175.0935 82 T 5.2124 9.0035 117.8942 62.0196 72.8611 173.3296 83 G 4.3700 8.6115 111.5441 44.8646 0.0000 170.9798 84 P 4.6338 0.0000 0.0000 62.9347 32.1440 175.3862 85 I 4.8744 8.1396 115.7864 58.7141 40.9260 175.3221 86 V 3.7081 8.5157 123.7524 63.0275 32.2039 174.7435 87 N 4.1058 8.6221 126.0693 55.0557 38.8621 174.5743 88 G 3.9253 9.9937 113.5849 45.9714 0.0000 173.6872 89 H 4.8892 8.5345 117.6062 53.7638 30.3734 174.1014 90 S 4.3035 8.3755 117.9186 60.2882 63.2658 176.2106 91 D 4.9948 8.0035 118.5006 52.4440 39.8026 175.5211 92 E 4.6593 8.4746 121.2609 54.6230 32.0686 175.2675 93 L 4.0321 9.0286 129.2360 53.9722 42.5153 175.7699 94 D 4.7515 8.4117 127.2617 54.8399 41.9461 175.2408 95 T 4.7962 8.2517 113.0631 60.0760 72.1998 172.3904 96 N 4.9087 9.3238 119.0621 52.5912 40.6344 175.9709 97 G 3.9235 10.2618 108.7640 44.6633 0.0000 174.4392 98 G 4.4241 8.1643 107.2326 46.5769 0.0000 174.9007 99 T 3.9909 7.4350 110.9382 62.2853 69.4066 176.3343 100 G 3.9266 8.3092 110.4103 44.9908 0.0000 172.8690 101 L 4.7652 7.0629 118.9408 53.9528 43.0680 175.8889 102 A 4.7021 8.9178 121.3344 50.4327 23.2430 174.9638 103 I 4.6662 8.3913 120.4278 59.3951 40.1357 174.9895 104 V 4.8539 8.6955 126.2773 61.0425 34.5196 174.2478 105 V 4.9062 8.4939 126.5226 61.1373 34.6316 173.4203 106 Q 4.6421 9.4071 129.5854 55.9305 30.9204 173.9032 107 G 3.6227 9.7798 116.6522 46.1360 0.0000 174.6776 108 A 4.5307 8.4202 120.1668 49.5296 19.4703 177.5137 109 G 3.9667 8.6381 110.2098 44.9575 0.0000 172.2154 110 K 4.7317 7.5759 120.0195 52.5138 35.6125 180.0950 111 N 5.1995 8.4407 117.2006 52.7044 39.6371 175.1655 112 V 3.9897 8.6861 122.2069 62.3565 33.2079 175.1593 113 V 4.5136 7.9556 118.0383 59.5286 34.6157 175.5630 114 F 5.3135 9.7059 121.0027 56.7835 39.4643 176.4111 115 D 4.6664 8.2607 119.1284 53.4553 39.7841 175.9436 116 G 3.6511 7.8559 106.1240 46.7847 0.0000 173.8582 117 S 4.7543 7.3390 112.2812 55.9754 66.8384 174.4051 118 E 3.9468 8.8537 124.8362 56.9143 29.9470 176.6096 119 G 4.1200 8.9260 114.7432 44.6650 0.0000 172.6643 120 D 4.6662 8.7830 119.6347 52.9941 40.6996 176.9444 121 A 4.5682 8.0445 135.0000 49.8002 17.4760 176.5528 122 N 5.3884 8.0967 112.9798 52.3178 41.9268 176.4399 123 T 4.3340 8.2451 108.1186 62.9923 69.6900 174.3070 124 L 4.3575 7.9595 127.3352 54.7245 43.2368 175.8646 125 K 4.1135 9.1588 131.2202 56.0263 31.5785 172.7604 126 D 4.1350 7.9913 122.3838 51.7178 40.2962 173.7578 127 G 4.0350 9.4637 112.1367 44.7545 0.0000 172.5167 128 E 4.8116 7.7069 116.0310 54.6400 33.7529 174.5993 129 N 5.0651 8.6214 115.7943 52.5068 39.0517 173.1465 130 V 4.7440 7.7299 118.5698 61.6179 33.9808 174.6492 131 L 4.3606 8.7617 128.3798 54.2460 43.2011 175.1995 132 H 5.6963 8.3330 120.2956 53.7444 30.8282 173.4810 133 Y 5.1743 8.8143 119.3240 56.6513 43.1854 173.9935 134 T 5.3197 9.1804 109.5911 60.2094 72.6678 172.7874 135 A 5.4125 9.2908 124.9756 50.4379 22.5874 175.3862 136 V 4.8595 8.9967 114.4594 59.5568 36.0425 174.7931 137 V 4.4609 9.0361 124.6178 61.3422 33.6438 174.7424 138 K 4.6461 8.4515 125.1790 55.2347 36.4990 174.7279 139 K 4.1860 8.3694 122.1012 56.2777 32.5838 176.4325 140 S 4.1829 8.6714 122.0847 58.6488 62.9589 174.1032 141 S 4.3813 8.5358 119.9719 58.3559 62.9806 174.6390 142 A 4.1014 7.9887 125.8463 51.6759 18.6081 177.9785 143 V 3.6891 8.4865 116.0136 63.0993 31.9884 176.3492 144 G 3.8664 8.6459 111.7275 46.4887 0.0000 173.3544 145 A 4.3536 7.5992 120.9337 50.9272 19.7289 177.9660 146 A 4.7360 8.0389 122.7391 50.1437 22.1520 176.3685 147 V 4.0229 9.2888 124.2035 63.2741 32.0905 175.2732 148 T 4.7961 8.6619 123.8488 60.4568 70.5698 173.9307 149 E 4.1575 8.8168 123.9739 57.2787 30.5245 176.3099 150 G 4.0787 8.8487 106.3127 43.3559 0.0000 173.8826 151 A 4.1124 8.3462 125.6841 51.6487 19.0790 176.6826 152 F 5.8637 7.7717 115.6168 54.6750 41.5392 173.6552 153 S 4.7753 8.3557 111.5835 58.1875 65.8455 173.1505 154 A 4.7661 8.1433 119.6232 51.5925 21.7145 175.9967 155 V 4.3672 8.4351 118.0021 60.9132 34.5352 174.5650 156 A 5.0740 8.6436 127.8132 50.2593 21.9244 174.9430 157 N 4.7178 9.7285 120.4495 52.1882 40.2405 174.3848 158 F 4.4496 8.8969 127.5216 57.2116 40.0174 174.1957 159 N 4.6870 8.9379 125.4568 51.5093 40.4053 174.2321 160 L 4.7524 8.3265 124.0221 53.2837 43.9188 176.1906 161 T 4.5056 8.4307 122.2696 61.8388 70.4469 173.6429 162 Y 4.5568 8.8514 124.5768 57.6807 39.2005 175.9959 163 Q 4.3341 8.6632 121.0219 56.0655 28.7152 175.5931 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 10 K 8.30 4.32 0.00 1.87 1.88 0.00 1.46 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.40 7.81 11 V 8.07 4.05 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 0.76 0.00 0.00 0.13 0.00 0.00 12 T 8.96 4.44 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 13 F 8.75 4.78 0.00 3.00 2.99 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 14 N 8.43 5.15 0.00 2.68 2.69 0.00 0.00 6.88 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.16 4.78 0.00 2.78 2.79 0.00 0.00 5.78 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 16 T 8.15 4.67 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 1.21 0.00 0.00 17 V 8.28 4.44 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 0.90 0.00 0.00 0.98 0.00 0.00 18 V 8.04 4.51 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 0.76 0.00 0.00 0.91 0.00 0.00 19 D 8.51 4.52 0.00 2.64 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 20 A 8.29 4.38 1.23 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 0.00 0.00 21 P 0.00 4.24 0.00 1.90 1.22 0.00 3.59 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.75 0.00 22 C 9.65 4.84 0.00 3.04 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 23 S 8.95 5.10 0.00 3.90 3.79 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 24 I 8.40 5.71 1.83 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.53 1.05 0.00 0.00 25 S 8.04 4.66 0.00 3.87 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 26 Q 8.36 4.96 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.93 0.00 0.00 0.00 0.00 0.00 2.49 2.30 0.00 27 K 8.89 3.99 0.00 1.77 1.73 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.00 7.81 28 S 7.78 4.72 0.00 4.09 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 29 A 8.73 3.92 1.30 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 0.00 0.00 0.00 30 D 8.08 4.66 0.00 2.79 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 31 Q 8.30 3.88 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 32 S 8.39 4.79 0.00 3.90 3.78 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 33 I 7.92 4.44 1.58 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.33 0.83 0.00 0.00 34 D 8.39 4.66 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 35 F 8.95 4.40 0.00 3.25 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 36 G 7.85 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 37 Q 8.45 4.47 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 38 L 8.05 4.85 0.00 1.70 1.62 1.06 0.99 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 39 S 8.73 4.43 0.00 3.92 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 40 K 8.80 4.02 0.00 1.80 1.81 0.00 1.85 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.07 7.81 41 S 8.08 4.32 0.00 4.09 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.61 4.14 0.00 3.11 3.29 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 43 L 8.17 4.32 0.00 1.70 1.65 1.04 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.33 3.90 0.00 2.00 2.18 0.00 0.00 0.00 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 2.34 0.00 45 A 7.88 4.19 1.27 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 0.00 0.00 46 G 7.34 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 47 G 7.75 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 0.00 0.00 0.00 48 V 8.00 4.90 2.10 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 0.94 0.00 0.00 0.88 0.00 0.00 49 S 8.55 4.64 0.00 4.11 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 50 K 8.62 4.30 0.00 1.84 1.82 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.48 7.81 51 P 0.00 4.68 0.00 2.16 2.12 0.00 3.86 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 52 M 9.32 4.53 0.00 1.74 1.85 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.90 0.00 53 D 8.65 4.78 0.00 2.56 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 54 L 9.34 4.56 0.00 1.70 1.66 0.92 1.07 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 55 D 8.38 5.45 0.00 2.64 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 56 I 8.48 4.51 1.69 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.78 0.61 0.00 0.00 57 E 8.90 4.59 0.00 2.01 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 0.00 2.24 2.25 0.00 58 L 8.82 4.83 0.00 1.43 1.40 -0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.94 4.39 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 0.79 0.00 0.00 0.97 0.00 0.00 60 N 8.88 4.33 0.00 2.85 2.88 0.00 0.00 6.66 7.66 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 61 C 7.99 4.78 0.00 3.15 3.28 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 62 D 8.67 4.76 0.00 2.62 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 63 I 8.34 4.52 1.87 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 1.47 0.54 0.91 0.00 0.00 64 T 7.38 4.66 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 1.25 0.00 0.00 65 A 7.99 4.57 1.05 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 66 F 8.50 4.71 0.00 3.13 3.09 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 67 K 8.06 4.52 0.00 1.79 1.78 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.77 7.81 68 G 7.88 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 9.02 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 0.00 0.00 0.00 *74 K 7.77 4.14 0.00 1.81 1.69 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 75 G 8.08 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 0.00 0.00 0.00 76 T 8.33 4.36 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 1.18 0.00 0.00 77 V 7.24 4.31 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 -0.09 0.00 0.00 0.58 0.00 0.00 78 K 8.63 4.22 0.00 1.50 1.66 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.37 1.26 7.81 79 L 8.19 4.99 0.00 1.63 1.49 1.30 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.35 4.85 1.19 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 0.00 0.00 81 F 8.81 5.32 0.00 2.63 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 82 T 9.00 5.21 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 1.29 0.00 0.00 83 G 8.61 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 0.00 0.00 0.00 0.00 84 P 0.00 4.63 0.00 2.10 2.19 0.00 3.62 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 2.01 1.95 0.00 85 I 8.14 4.87 2.09 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 1.26 0.74 1.07 0.00 0.00 86 V 8.52 3.71 2.10 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 0.86 0.00 0.00 0.90 0.00 0.00 87 N 8.62 4.11 0.00 2.71 2.75 0.00 0.00 7.36 7.98 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 88 G 9.99 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 89 H 8.53 4.89 0.00 3.21 3.19 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.38 4.30 0.00 4.07 4.17 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 91 D 8.00 4.99 0.00 2.93 2.84 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 92 E 8.47 4.66 0.00 2.00 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 2.20 2.23 0.00 93 L 9.03 4.03 0.00 0.27 1.26 0.35 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.41 4.75 0.00 2.69 2.50 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 0.00 0.00 0.00 95 T 8.25 4.80 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 1.06 0.00 0.00 96 N 9.32 4.91 0.00 2.73 2.77 0.00 0.00 7.52 7.97 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 97 G 10.26 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 98 G 8.16 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 0.00 0.00 0.00 0.00 99 T 7.44 3.99 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 1.38 0.00 0.00 100 G 8.31 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 0.00 101 L 7.06 4.77 0.00 0.97 1.12 0.60 0.70 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 0.00 102 A 8.92 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.39 4.67 1.72 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.62 1.01 0.00 0.00 104 V 8.70 4.85 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 1.06 0.00 0.00 0.93 0.00 0.00 105 V 8.49 4.91 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 0.70 0.00 0.00 1.03 0.00 0.00 106 Q 9.41 4.64 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.40 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 107 G 9.78 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.42 4.53 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.64 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 0.00 110 K 7.58 4.73 0.00 1.64 1.62 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.32 0.98 7.81 111 N 8.44 5.20 0.00 2.60 2.76 0.00 0.00 6.88 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 0.00 112 V 8.69 3.99 1.65 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 -0.14 0.00 0.00 0.59 0.00 0.00 113 V 7.96 4.51 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 0.78 0.00 0.00 0.90 0.00 0.00 114 F 9.71 5.31 0.00 3.08 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 0.00 115 D 8.26 4.67 0.00 2.83 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 0.00 116 G 7.86 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 0.00 0.00 0.00 117 S 7.34 4.75 0.00 3.87 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.85 3.95 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 119 G 8.93 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 0.00 0.00 0.00 120 D 8.78 4.67 0.00 2.76 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 0.00 121 A 8.04 4.57 1.22 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 0.00 0.00 122 N 8.10 5.39 0.00 2.75 2.62 0.00 0.00 7.00 7.59 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 0.00 123 T 8.25 4.33 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 1.34 0.00 0.00 124 L 7.96 4.36 0.00 1.98 1.68 0.94 0.79 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 0.00 125 K 9.16 4.11 0.00 1.72 1.71 0.00 1.87 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.44 1.00 7.81 126 D 7.99 4.14 0.00 2.71 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 0.00 0.00 0.00 127 G 9.46 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 0.00 0.00 0.00 128 E 7.71 4.81 0.00 2.06 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 2.25 2.34 0.00 129 N 8.62 5.07 0.00 2.82 2.95 0.00 0.00 5.37 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 0.00 130 V 7.73 4.74 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 0.75 0.00 0.00 0.89 0.00 0.00 131 L 8.76 4.36 0.00 1.69 1.56 1.09 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.33 5.70 0.00 2.92 3.14 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 8.81 5.17 0.00 3.07 2.84 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 0.00 134 T 9.18 5.32 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 1.25 0.00 0.00 135 A 9.29 5.41 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 V 9.00 4.86 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 0.80 0.00 0.00 1.01 0.00 0.00 137 V 9.04 4.46 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 0.29 0.00 0.00 -0.37 0.00 0.00 138 K 8.45 4.65 0.00 1.72 1.77 0.00 1.30 0.00 0.00 1.52 0.00 0.00 2.73 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.22 1.28 7.81 139 K 8.37 4.19 0.00 1.85 1.66 0.00 1.90 0.00 0.00 1.65 0.00 0.00 2.59 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.37 7.81 140 S 8.67 4.18 0.00 3.85 3.73 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 0.00 141 S 8.54 4.38 0.00 3.68 3.52 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 0.00 142 A 7.99 4.10 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 0.00 143 V 8.49 3.69 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 0.72 0.00 0.00 0.93 0.00 0.00 144 G 8.65 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 0.00 145 A 7.60 4.35 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 0.00 146 A 8.04 4.74 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.29 4.02 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 0.92 0.00 0.00 148 T 8.66 4.80 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 1.37 0.00 0.00 149 E 8.82 4.16 0.00 1.79 1.73 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 2.23 1.90 0.00 150 G 8.85 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 0.00 0.00 0.00 151 A 8.35 4.11 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 7.77 5.86 0.00 3.02 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 S 8.36 4.78 0.00 3.90 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 0.00 154 A 8.14 4.77 1.22 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 0.00 0.00 155 V 8.44 4.37 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 0.91 0.00 0.00 0.97 0.00 0.00 156 A 8.64 5.07 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 0.00 0.00 0.00 0.00 0.00 157 N 9.73 4.72 0.00 2.80 3.03 0.00 0.00 6.43 5.87 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 0.00 158 F 8.90 4.45 0.00 2.73 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 0.00 159 N 8.94 4.69 0.00 2.47 2.60 0.00 0.00 6.54 7.31 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 0.00 160 L 8.33 4.75 0.00 1.50 1.31 1.07 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 161 T 8.43 4.51 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 1.20 0.00 0.00 162 Y 8.85 4.56 0.00 2.84 2.92 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 0.00 163 Q 8.66 4.33 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.