NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4291 8.3344 115.4115 57.4171 65.1813 173.2292 3 I 4.3194 7.4484 120.7692 58.1049 40.3265 173.4041 4 S 4.3665 8.5514 124.0872 59.2006 64.5250 174.3601 5 T 4.3833 9.0106 115.1908 60.8009 71.2905 176.2856 6 S 4.0267 8.4892 116.2713 61.2988 62.9402 176.3790 7 A 4.0870 7.9667 123.8850 55.3202 18.2736 179.2519 8 E 3.9896 8.2284 116.9987 59.5056 29.4384 179.9763 9 V 3.5404 7.7031 117.9535 66.1791 31.5298 177.6938 10 Y 4.1922 7.8970 116.5335 61.1341 37.7016 177.9507 11 Y 4.0267 8.2959 122.7957 61.4597 38.9911 178.6255 12 E 4.0016 8.3147 119.0982 61.3986 29.8913 180.9129 13 E 4.0045 8.3672 119.4607 58.8624 29.4190 179.4151 14 A 3.7934 7.9149 121.2925 54.9614 18.2142 179.3312 15 E 3.9089 7.9364 118.7483 58.8644 29.4495 179.4826 16 E 3.8343 7.9870 118.2547 59.5367 29.5227 179.3996 17 F 4.2999 7.6818 117.3902 60.4316 38.9189 177.4542 18 L 4.0113 8.1633 119.8765 58.5526 41.7652 179.2472 19 S 4.3052 8.0152 113.3942 60.9793 62.7498 175.9194 20 K 4.4741 7.6139 118.3587 55.6254 32.1555 177.5198 21 G 3.9447 8.3288 107.8688 46.2837 0.0000 175.3378 22 D 4.6488 8.3188 121.4335 52.7538 38.7398 176.2350 23 L 4.0570 7.8984 124.1468 57.2062 41.7675 178.7031 24 V 3.6220 7.7139 117.6806 66.1653 31.5589 178.0460 25 Q 3.6478 8.1720 117.4688 58.5682 28.3992 178.2731 26 A 3.9150 7.8065 121.7287 55.4622 18.4035 179.1701 27 C 4.1464 8.2763 115.2405 63.3636 28.2107 176.2447 28 E 3.6907 7.7282 120.0732 59.1060 28.9591 179.0208 29 K 3.8589 7.9308 118.6080 59.4324 32.0745 178.9920 30 Y 4.2225 8.3569 117.5918 61.1096 37.6919 177.9878 31 Y 4.1754 8.2986 120.6032 60.7216 38.9762 178.0555 32 K 3.4445 8.0867 119.3661 59.1540 31.9429 179.1198 33 A 4.1434 8.1846 121.2332 55.1237 18.3043 179.5996 34 A 4.0191 7.9253 119.3409 55.1626 18.5003 179.3823 35 E 3.7148 8.2057 118.2559 59.5798 29.5868 179.0050 36 E 3.8135 8.1200 118.2406 59.1636 29.4760 179.2051 37 A 3.9692 7.8490 120.8787 55.0988 18.4471 179.8091 38 I 3.5215 7.6012 118.2494 64.3249 37.0991 178.6430 39 K 3.5087 7.4922 119.2125 59.3535 31.7582 178.9293 40 L 3.9410 7.9653 120.5451 58.3890 41.8727 179.1278 41 L 3.9871 7.9219 118.7665 57.4979 41.4954 179.6907 42 V 3.5939 8.2493 118.7428 65.9925 31.4063 178.0854 43 I 3.7215 8.1536 119.9076 64.4748 36.7665 178.3158 44 E 3.9654 8.1407 117.9099 59.5999 29.5501 178.9394 45 N 4.5124 8.2547 113.6357 52.9476 39.8793 174.5139 46 N 4.1651 7.3601 117.9906 54.2547 37.3029 173.5188 47 L 4.6616 8.1967 123.9653 52.4315 41.5351 177.7599 48 K 4.3466 8.2171 128.9305 59.0003 31.5211 177.8523 49 E 4.0371 8.1556 117.9284 59.9406 29.7277 179.1318 50 I 3.8351 7.6111 117.6939 63.8930 38.3286 177.7696 51 T 3.5464 7.6167 110.4850 64.6295 68.2175 176.3242 52 N 4.2921 8.3047 119.1886 55.9038 38.6914 176.4197 53 N 4.4653 7.5200 116.2028 54.0760 39.0722 174.8343 54 V 3.4230 6.8183 122.9366 63.6803 32.1805 177.1201 55 K 4.6438 8.0270 130.5266 53.4595 33.8102 172.4930 *58 G 4.1813 7.6292 115.0561 45.8309 0.0000 176.2312 59 R 4.3704 8.9758 119.5904 55.0451 31.0652 175.5228 60 W 4.9286 7.9772 119.5060 55.2099 30.8640 176.4946 61 K 4.4173 8.5083 119.1124 56.2216 32.3390 178.5267 62 S 4.4241 9.3132 119.7165 62.4185 62.7590 177.0600 63 E 4.1368 8.3732 120.4033 59.3117 29.1179 179.0187 64 N 4.3675 8.4915 116.9775 56.2159 38.6330 177.3596 65 L 3.7366 7.9384 119.8029 57.6518 41.6541 179.3208 66 F 3.8696 8.0731 119.0564 59.7887 38.8789 177.6957 67 K 3.8845 8.5803 118.0584 59.5378 31.9256 178.9187 68 A 3.9672 8.6967 122.1508 55.3321 18.0674 179.7788 69 S 4.0200 8.4404 115.2811 62.3694 62.8580 177.0850 70 K 4.0335 8.2661 127.4859 59.3336 31.2368 180.5409 71 L 3.8954 8.2868 120.6620 57.7752 42.0296 179.1534 72 L 4.3501 7.9737 119.0181 55.9605 41.5682 179.4525 73 R 4.1613 8.4555 122.0389 61.3788 29.2693 183.8988 74 S 4.4498 7.8816 112.7384 61.8131 62.9697 175.6904 75 N 4.6467 7.9325 118.5631 55.2305 39.2887 174.6474 76 N 4.5114 8.1306 121.0789 52.4728 40.8808 174.3486 77 T 3.9737 8.7077 117.5101 65.2149 68.8546 175.7870 78 E 4.1841 8.6105 121.6358 58.7535 29.3068 179.0049 79 I 3.8619 7.6312 113.3749 63.5348 36.8758 176.4717 80 P 4.3889 0.0000 0.0000 65.5901 30.9601 178.1970 81 I 4.0677 7.8127 111.9771 63.1754 37.8191 177.9985 82 L 4.1820 8.0965 121.2796 57.3557 41.3702 178.9496 83 W 4.3055 8.7528 128.8556 60.3710 30.5803 177.9810 84 K 3.9551 7.8355 117.5952 59.8005 31.4927 179.1827 85 S 4.1272 7.7498 113.5291 61.6359 62.6859 176.7263 86 A 3.9376 7.5435 122.9575 54.8670 18.0545 179.4112 87 W 3.8470 7.6884 126.9274 60.8564 30.2041 178.2103 88 T 3.7341 8.3267 116.0069 66.6078 67.9901 176.4843 89 L 3.9307 8.0024 120.9682 58.0130 41.4916 178.9281 90 H 3.7895 7.8023 118.0953 59.9610 29.5755 176.7750 91 V 3.4331 7.5340 121.4738 64.9193 31.1477 177.4132 92 E 3.9512 7.9439 119.0874 59.7899 29.6358 178.2598 93 G 3.8047 7.7781 105.7003 46.6216 0.0000 175.6775 94 F 4.1807 8.1643 124.3274 60.7626 39.9861 177.4725 95 H 4.0596 7.4453 114.3712 58.8718 28.8169 176.9113 96 E 3.9851 8.2782 118.4729 56.8574 29.9001 176.7915 97 L 3.7590 7.3579 118.0053 56.2846 39.5619 174.6644 98 S 4.7357 8.1762 106.9904 57.8900 63.8102 173.5429 99 L 4.6488 8.0075 122.2607 54.2854 44.0970 177.5780 100 N 4.7359 8.3175 123.1488 53.4569 39.9287 173.7218 101 E 4.2106 8.7982 122.1582 61.1167 29.7442 179.9067 102 K 4.0334 7.9832 123.1069 59.7805 31.8261 180.8586 103 E 4.1571 8.0496 119.2017 59.2041 29.4965 179.3846 104 V 3.5284 7.8393 118.2746 65.8667 31.6403 178.1563 105 K 3.8052 7.9828 118.1787 59.3044 31.6920 179.0678 106 K 3.8505 7.5932 118.1271 59.5526 32.3255 178.5562 107 L 4.0748 7.8811 119.0159 57.7414 41.6842 179.1647 108 K 3.4778 8.2863 119.8053 59.5064 31.6285 178.2283 109 E 4.0039 8.0666 119.3715 59.2405 29.4914 178.5110 110 D 4.3982 8.4368 119.4904 56.8652 40.8165 178.9056 111 V 3.6449 7.6077 118.6918 65.8362 31.6535 177.5946 112 R 3.2938 8.1053 118.5358 59.4367 29.9186 178.3381 113 K 3.5636 7.6715 119.2195 59.1248 32.0895 178.5810 114 L 4.1850 7.6744 120.3291 58.0371 42.0920 178.9065 115 V 3.5639 8.3018 118.7965 66.1419 31.4547 178.0834 116 I 3.6536 7.6916 112.7331 63.8479 37.0633 178.0529 117 F 4.4220 7.6775 118.4326 60.5375 39.0036 177.0275 118 A 4.1185 8.1189 120.1896 55.3129 18.0492 179.5220 119 V 3.4874 8.0032 116.0877 66.6258 30.5191 178.1776 120 N 4.5352 8.3992 116.1911 55.9431 38.2724 177.3356 121 S 4.3331 8.0884 114.5753 61.1202 62.9778 175.7975 122 L 4.4071 7.5855 124.3638 57.4595 41.5923 177.1643 123 E 4.2242 7.8525 116.9183 56.1961 29.7697 178.5307 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 S 8.33 4.43 0.00 3.99 4.06 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 3 I 7.45 4.32 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.05 0.90 0.00 0.00 4 S 8.55 4.37 0.00 3.87 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.01 4.38 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 6 S 8.49 4.03 0.00 4.07 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 7 A 7.97 4.09 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.23 3.99 0.00 2.19 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 2.30 2.31 0.00 9 V 7.70 3.54 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 0.84 0.00 0.00 0.93 0.00 0.00 10 Y 7.90 4.19 0.00 3.26 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 11 Y 8.30 4.03 0.00 3.29 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 12 E 8.31 4.00 0.00 2.03 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 2.25 2.23 0.00 13 E 8.37 4.00 0.00 2.17 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 2.22 2.54 0.00 14 A 7.91 3.79 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.94 3.91 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 1.92 2.22 0.00 16 E 7.99 3.83 0.00 1.81 1.67 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 2.19 2.38 0.00 17 F 7.68 4.30 0.00 3.22 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.16 4.01 0.00 2.03 1.88 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.02 4.31 0.00 4.05 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 20 K 7.61 4.47 0.00 1.76 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.55 7.81 21 G 8.33 3.94 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 0.00 0.00 0.00 22 D 8.32 4.65 0.00 2.83 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 23 L 7.90 4.06 0.00 1.73 1.72 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.71 3.62 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 1.12 0.00 0.00 0.89 0.00 0.00 25 Q 8.17 3.65 0.00 1.40 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 26 A 7.81 3.92 1.55 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 27 C 8.28 4.15 0.00 3.19 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.73 3.69 0.00 1.16 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.86 0.00 29 K 7.93 3.86 0.00 2.02 1.92 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.66 1.71 7.81 30 Y 8.36 4.22 0.00 3.16 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 31 Y 8.30 4.18 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.09 3.44 0.00 1.10 0.74 0.00 1.34 0.00 0.00 1.04 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.05 1.47 7.81 33 A 8.18 4.14 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 0.00 0.00 0.00 0.00 0.00 34 A 7.93 4.02 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 35 E 8.21 3.71 0.00 1.60 1.78 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 1.90 2.03 0.00 36 E 8.12 3.81 0.00 2.22 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 2.57 2.78 0.00 37 A 7.85 3.97 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 38 I 7.60 3.52 1.60 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 1.62 -0.07 0.58 0.00 0.00 39 K 7.49 3.51 0.00 1.63 1.60 0.00 1.22 0.00 0.00 1.06 0.00 0.00 2.13 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.30 0.56 7.81 40 L 7.97 3.94 0.00 1.84 1.82 0.92 0.97 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 41 L 7.92 3.99 0.00 1.88 1.68 0.97 0.61 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 42 V 8.25 3.59 2.46 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 1.16 0.00 0.00 1.16 0.00 0.00 43 I 8.15 3.72 2.07 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.44 0.94 0.00 0.00 44 E 8.14 3.97 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 45 N 8.25 4.51 0.00 2.81 2.86 0.00 0.00 7.15 8.78 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 46 N 7.36 4.17 0.00 2.76 2.79 0.00 0.00 7.02 8.41 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 47 L 8.20 4.66 0.00 1.81 1.56 0.93 0.73 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 48 K 8.22 4.35 0.00 1.76 1.85 0.00 1.90 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 0.99 7.81 49 E 8.16 4.04 0.00 1.87 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 2.31 2.44 0.00 50 I 7.61 3.84 1.82 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 1.37 1.39 0.93 0.00 0.00 51 T 7.62 3.55 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 52 N 8.30 4.29 0.00 2.74 2.86 0.00 0.00 6.96 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 53 N 7.52 4.47 0.00 2.77 2.95 0.00 0.00 7.20 8.33 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 54 V 6.82 3.42 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 0.43 0.00 0.00 0.01 0.00 0.00 55 K 8.03 4.64 0.00 1.74 1.54 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 0.99 7.81 *58 G 7.63 4.18 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 0.00 59 R 8.98 4.37 0.00 1.92 2.05 0.00 3.22 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 60 W 7.98 4.93 0.00 3.38 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 61 K 8.51 4.42 0.00 1.91 2.03 0.00 1.72 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.53 7.81 62 S 9.31 4.42 0.00 4.11 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 0.00 63 E 8.37 4.14 0.00 2.11 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 2.41 2.46 0.00 64 N 8.49 4.37 0.00 3.11 2.99 0.00 0.00 6.94 7.52 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 65 L 7.94 3.74 0.00 1.49 0.17 0.50 1.33 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 66 F 8.07 3.87 0.00 3.16 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 67 K 8.58 3.88 0.00 1.96 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.73 7.81 68 A 8.70 3.97 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 69 S 8.44 4.02 0.00 4.01 3.70 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 0.00 0.00 0.00 0.00 70 K 8.27 4.03 0.00 1.79 1.82 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.36 7.81 71 L 8.29 3.90 0.00 1.76 1.79 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.97 4.35 0.00 1.81 1.63 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.46 4.16 0.00 1.87 1.86 0.00 3.27 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 74 S 7.88 4.45 0.00 3.81 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 75 N 7.93 4.65 0.00 2.67 2.92 0.00 0.00 6.67 7.79 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 76 N 8.13 4.51 0.00 2.36 2.25 0.00 0.00 6.96 6.75 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 77 T 8.71 3.97 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 1.25 0.00 0.00 78 E 8.61 4.18 0.00 2.24 2.15 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 2.38 2.35 0.00 79 I 7.63 3.86 1.93 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 1.66 1.42 0.84 0.00 0.00 80 P 0.00 4.39 0.00 2.38 2.54 0.00 3.71 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 2.16 2.06 0.00 81 I 7.81 4.07 1.94 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 1.71 1.06 0.98 0.00 0.00 82 L 8.10 4.18 0.00 2.10 1.90 1.11 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 83 W 8.75 4.31 0.00 3.45 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 84 K 7.84 3.96 0.00 2.12 1.98 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.71 1.91 7.81 85 S 7.75 4.13 0.00 4.08 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 86 A 7.54 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 W 7.69 3.85 0.00 2.88 3.18 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 88 T 8.33 3.73 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 89 L 8.00 3.93 0.00 1.87 1.72 0.85 1.13 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 90 H 7.80 3.79 0.00 1.56 2.33 0.00 5.60 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.53 3.43 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 -0.12 0.00 0.00 92 E 7.94 3.95 0.00 2.12 1.93 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 2.51 2.30 0.00 93 G 7.78 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 94 F 8.16 4.18 0.00 2.85 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 95 H 7.45 4.06 0.00 3.17 3.16 0.00 5.70 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 96 E 8.28 3.99 0.00 1.91 1.93 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 2.27 2.19 0.00 97 L 7.36 3.76 0.00 1.65 1.64 0.82 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.18 4.74 0.00 3.90 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 99 L 8.01 4.65 0.00 1.59 1.57 0.90 1.01 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 0.00 100 N 8.32 4.74 0.00 2.82 2.69 0.00 0.00 6.37 7.54 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 0.00 101 E 8.80 4.21 0.00 2.00 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 2.39 2.35 0.00 102 K 7.98 4.03 0.00 1.80 1.80 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.10 7.81 103 E 8.05 4.16 0.00 2.17 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 2.38 2.35 0.00 104 V 7.84 3.53 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 1.02 0.00 0.00 0.97 0.00 0.00 105 K 7.98 3.81 0.00 1.99 1.82 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.45 1.70 7.81 106 K 7.59 3.85 0.00 1.93 1.98 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.48 7.81 107 L 7.88 4.07 0.00 1.65 1.62 0.87 0.58 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 0.00 108 K 8.29 3.48 0.00 0.79 1.45 0.00 1.33 0.00 0.00 1.52 0.00 0.00 3.19 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.27 0.90 7.81 109 E 8.07 4.00 0.00 2.30 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 2.30 2.39 0.00 110 D 8.44 4.40 0.00 2.87 2.74 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 0.00 111 V 7.61 3.64 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.99 0.00 0.00 112 R 8.11 3.29 0.00 1.94 1.96 0.00 3.33 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.10 0.00 113 K 7.67 3.56 0.00 1.70 1.86 0.00 1.64 0.00 0.00 1.62 0.00 0.00 3.22 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.99 1.00 7.81 114 L 7.67 4.18 0.00 2.05 1.96 1.09 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.30 3.56 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 0.91 0.00 0.00 0.97 0.00 0.00 116 I 7.69 3.65 1.71 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.16 0.78 0.00 0.00 117 F 7.68 4.42 0.00 3.30 3.01 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 0.00 118 A 8.12 4.12 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.00 3.49 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 1.01 0.00 0.00 0.99 0.00 0.00 120 N 8.40 4.54 0.00 3.21 2.90 0.00 0.00 6.71 7.19 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 0.00 121 S 8.09 4.33 0.00 4.03 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 0.00 122 L 7.59 4.41 0.00 1.85 1.69 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 123 E 7.85 4.22 0.00 1.99 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 2.23 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.