NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.5128 8.1693 120.6419 54.9945 43.1259 175.6074 8 H 4.9357 8.5702 115.8717 53.3690 31.6653 171.1970 9 K 4.5553 9.4681 121.3972 55.9821 33.6150 177.2131 10 E 5.0010 9.0323 123.6406 53.5984 33.2148 173.9645 11 P 4.9568 0.0000 0.0000 63.4202 32.3313 174.9707 12 A 4.8883 8.2868 121.0063 51.5616 23.0056 175.6656 13 T 4.6250 8.5719 115.4478 61.3015 72.0493 173.7283 14 L 4.2420 8.6857 128.5509 55.7879 42.2898 175.7844 15 I 4.3263 8.6738 127.2306 62.4980 38.8246 176.2509 16 K 4.4750 7.5393 120.1831 55.2795 35.4594 174.3634 17 A 4.4462 8.7888 130.7689 52.3513 19.1459 175.8351 18 I 4.3434 8.1294 121.4693 62.0082 39.5141 175.6281 19 D 4.6025 7.1259 116.5973 53.7156 41.7872 174.5624 20 G 3.8034 9.0666 107.3784 49.2229 0.0000 174.1545 21 D 4.7475 8.0766 117.6874 53.0089 40.5113 175.4797 22 T 5.3878 7.8402 116.8026 62.2844 73.1637 173.1992 23 V 4.7172 8.6714 122.7213 60.3890 35.4788 172.8690 24 K 5.0831 9.2194 124.9358 55.1067 33.9110 175.1070 25 L 5.3616 9.3077 126.8177 53.1464 46.5161 175.0258 26 M 4.8763 9.2523 121.6367 54.7153 33.8276 174.1756 27 Y 5.0912 8.9665 127.7019 56.1417 42.1314 175.5298 28 K 3.5774 9.4623 126.1605 57.5314 29.7480 176.1646 29 G 3.9752 8.5405 103.6463 45.7296 0.0000 173.8554 30 Q 4.8077 7.9297 118.3848 52.8241 32.8339 173.1693 31 P 4.9190 0.0000 0.0000 63.6320 32.2610 175.1773 32 M 4.8028 9.1641 120.4678 54.9670 36.3669 173.1006 33 T 5.0709 8.4077 120.8906 62.1933 71.1420 173.4827 34 F 5.0638 9.5271 124.5432 55.6016 42.1580 174.2204 35 R 4.9097 8.8560 123.6710 54.2527 31.8459 175.2200 36 L 4.5041 8.7055 127.9266 54.8368 42.3182 177.4902 37 L 3.8695 8.6856 124.6018 55.5329 42.8435 177.5386 38 L 3.7689 8.7528 119.7082 55.4936 39.6300 174.0703 39 V 4.9836 7.2935 109.1590 59.6076 35.2088 175.2313 40 D 4.8750 9.1660 123.3990 52.9715 43.6088 174.9840 41 T 4.7600 8.3205 113.7292 58.9598 71.0987 173.0965 42 P 4.5121 0.0000 0.0000 62.7054 32.2076 176.2379 43 E 4.2565 8.9892 121.1180 56.4766 30.0357 177.7618 44 T 4.2505 8.3220 110.5960 61.7985 70.6880 175.0922 45 K 4.4076 7.3882 120.5202 55.0096 33.1057 176.2379 *51 V 3.9063 7.3647 117.3263 62.3973 31.9443 174.6755 52 E 4.1640 9.2929 126.1658 54.9104 30.2505 176.6658 53 K 3.9531 8.2499 122.0109 58.0871 32.6586 176.6241 54 Y 4.3075 7.8413 121.1737 58.9869 36.0915 171.4060 55 G 3.6055 8.2535 108.5726 47.4785 0.0000 174.4737 56 P 4.3412 0.0000 0.0000 65.1028 31.3762 178.3100 57 E 3.9653 8.1836 117.7797 59.2778 29.5264 178.7453 58 A 4.0100 8.2150 120.8526 55.4716 17.9352 179.8841 59 S 4.1547 8.0674 112.9643 61.7871 62.8986 176.8745 60 A 4.0906 8.4537 123.8419 54.8451 18.0419 179.4252 61 F 4.0274 8.6059 119.8118 61.8214 39.4910 177.5577 62 T 3.8209 8.1800 109.4599 64.4367 68.4385 176.2599 63 K 3.8416 8.0876 122.4641 59.2657 32.4196 178.7067 64 K 3.8627 8.0710 119.8822 59.6316 31.8668 178.4259 65 M 3.8558 7.6381 117.4885 58.6508 32.0395 177.9642 66 Q 4.0935 8.2812 118.5001 58.9310 28.7563 178.4162 67 E 3.9811 8.2987 118.9028 59.2166 29.6194 177.9033 68 N 4.4886 7.8716 113.8398 54.2935 39.0805 175.5318 69 A 4.3566 7.2767 121.4729 51.8556 19.1303 177.5793 70 K 4.1311 8.9695 123.3866 58.4837 32.8052 177.5219 71 K 4.7343 8.8135 118.0074 54.4734 35.8709 175.3965 72 I 5.0406 8.3519 124.2369 59.6434 40.3651 174.3757 73 E 5.1358 9.1008 124.3770 54.7338 34.1647 174.7475 74 V 4.5750 8.8526 116.2146 59.4461 34.8572 174.4848 75 E 4.9817 9.0844 125.8792 54.3183 31.8762 175.0237 76 F 4.5403 8.9354 125.8841 57.5610 40.1121 175.5858 77 D 4.9585 8.5993 121.3906 53.2236 43.0493 175.8995 78 K 4.3880 9.3762 118.7644 57.4100 33.4053 177.3010 79 G 4.4229 7.8023 109.8504 43.7738 0.0000 173.3202 80 Q 4.1105 8.5996 119.5903 56.5932 29.3272 176.7351 81 R 4.6195 8.5956 119.7807 56.9483 31.0846 176.2516 82 T 5.0900 7.5579 107.1829 59.6619 71.8732 173.4814 83 D 4.8416 8.6810 124.3327 51.7764 41.2391 177.1534 84 K 3.8492 8.5171 117.4715 59.9389 32.2989 177.0540 85 Y 4.3479 8.0842 115.4438 57.6021 37.7107 176.1288 86 G 3.9142 8.0669 107.1738 45.8249 0.0000 174.1022 87 R 4.3566 8.3936 119.9529 54.9084 31.6586 176.4574 88 G 3.5172 8.3827 111.4776 46.2579 0.0000 172.4573 89 L 5.2786 9.1677 124.5922 53.2826 42.9277 175.5473 90 A 4.3878 8.2329 123.9500 51.0201 23.6350 173.8562 91 Y 4.7278 8.5632 116.9743 56.9941 39.8579 175.2643 92 I 4.7861 8.6594 124.8304 59.7153 40.0174 174.2399 93 Y 5.0847 9.0859 123.9374 56.0538 41.4653 174.7696 94 A 4.8596 8.9922 124.4394 50.1508 21.7490 176.1547 95 D 4.3915 9.9818 124.9483 56.1169 38.9506 175.7285 96 G 3.9838 8.4234 105.2804 45.4323 0.0000 173.6942 97 K 4.5677 7.8661 120.2482 54.6805 33.9509 175.3434 98 M 3.9727 8.4697 123.2760 55.0148 33.1643 177.1611 99 V 3.6044 8.7749 127.0637 65.9833 31.7264 177.6596 100 N 4.2865 8.0172 115.8435 56.3838 38.4440 176.8045 101 E 3.8729 8.0336 119.6670 59.2476 29.8284 178.2395 102 A 4.0976 8.1055 120.8408 55.2689 18.3810 179.5065 103 L 3.5854 8.2091 117.3640 57.9071 41.6714 179.9971 104 V 3.8092 7.4814 118.8793 65.5970 31.3010 177.9692 105 R 4.0436 8.1594 117.5302 59.3191 29.9754 177.3641 106 Q 4.1915 8.0231 116.6287 55.5781 29.3657 175.7377 107 G 3.9065 8.2114 107.2245 47.5508 0.0000 174.6626 108 L 4.4231 7.4999 116.5179 53.6556 41.9818 176.2006 109 A 4.5025 7.3188 118.7250 51.1794 22.3694 176.0614 110 K 4.6356 8.5140 119.6508 54.6750 35.2093 175.9237 111 V 4.3250 8.8367 122.7206 62.8163 32.0314 175.7866 112 A 4.5645 8.5642 130.1682 50.3538 20.7752 176.4279 113 Y 4.2397 8.3917 116.5727 57.8878 38.5344 177.1091 114 V 3.8431 8.4531 122.5435 63.1444 32.5511 174.7342 115 Y 4.6089 8.3939 126.1407 56.8041 41.1090 175.5488 116 K 3.7141 9.2694 127.7592 57.4632 29.7885 176.3399 117 G 4.0229 8.2759 103.8742 45.8414 0.0000 174.6352 118 N 4.8810 7.9343 118.5827 51.8784 37.2341 174.1142 119 N 5.1891 8.1710 115.6928 52.4694 39.0764 177.0673 120 T 3.8275 8.9516 117.7644 67.5866 68.6986 174.9211 121 H 4.8332 8.2972 116.5015 55.7711 29.1563 176.7855 122 E 4.0062 8.2954 123.6985 59.6501 29.2484 178.9740 123 Q 3.9968 8.0246 117.5763 58.6772 28.8936 177.9513 124 L 3.9307 7.9607 120.9239 58.4853 42.0178 179.0722 125 L 4.0637 7.9589 118.6021 57.4894 41.4790 179.4066 126 R 3.8739 8.0571 118.9502 59.2668 29.9858 178.7631 127 K 3.8762 8.3533 118.2285 59.4549 32.1186 179.0566 128 A 3.9692 7.8780 120.9754 55.3212 18.2685 179.3069 129 E 3.9407 8.5309 117.7226 59.2896 29.6282 178.9106 130 A 3.7471 7.9342 120.9530 54.9707 18.4333 179.3847 131 Q 3.7913 8.0108 117.8799 59.3045 29.1294 178.3696 132 A 3.9993 7.9421 121.8140 54.8228 18.3953 179.5670 133 K 3.0083 7.5090 118.0873 59.2999 31.9703 178.8349 134 K 3.8406 7.8079 118.7750 59.4717 32.1165 177.5901 135 E 4.2213 7.9799 115.5535 55.4482 29.9227 176.3386 136 K 4.1417 8.2071 117.3672 55.8191 30.6575 174.9712 137 L 4.2103 8.2188 119.8792 56.0531 44.6290 176.9408 138 N 3.5955 9.3705 121.2260 54.0302 38.3553 176.3783 139 I 2.5748 5.4200 127.5192 64.6510 37.8867 176.6251 140 W 4.8293 8.1012 118.7179 56.6887 29.0701 176.7010 141 S 4.4759 8.7196 122.1976 58.9429 62.1724 174.0194 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 7 L 8.17 4.51 0.00 1.74 1.82 1.09 0.85 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 8 H 8.57 4.94 0.00 3.23 3.23 0.00 5.52 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.47 4.56 0.00 1.58 1.76 0.00 1.40 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.10 1.28 7.81 10 E 9.03 5.00 0.00 2.14 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 2.31 2.18 0.00 11 P 0.00 4.96 0.00 2.10 2.07 0.00 3.87 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 12 A 8.29 4.89 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 13 T 8.57 4.63 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 1.23 0.00 0.00 14 L 8.69 4.24 0.00 1.64 1.57 0.91 1.09 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 15 I 8.67 4.33 2.07 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 1.15 0.85 0.94 0.00 0.00 16 K 7.54 4.48 0.00 1.80 1.61 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.42 7.81 17 A 8.79 4.45 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 18 I 8.13 4.34 2.04 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 1.47 0.87 0.90 0.00 0.00 19 D 7.13 4.60 0.00 2.78 2.63 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 0.00 0.00 0.00 0.00 20 G 9.07 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 21 D 8.08 4.75 0.00 2.83 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.84 5.39 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 23 V 8.67 4.72 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 0.70 0.00 0.00 0.93 0.00 0.00 24 K 9.22 5.08 0.00 1.86 1.85 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.65 7.81 25 L 9.31 5.36 0.00 1.80 1.61 0.88 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.25 4.88 0.00 2.15 1.99 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 2.59 2.55 0.00 27 Y 8.97 5.09 0.00 3.34 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 28 K 9.46 3.58 0.00 1.54 1.63 0.00 1.69 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.60 0.21 7.81 29 G 8.54 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 30 Q 7.93 4.81 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 31 P 0.00 4.92 0.00 2.12 2.10 0.00 3.83 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 32 M 9.16 4.80 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.12 0.00 33 T 8.41 5.07 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 1.22 0.00 0.00 34 F 9.53 5.06 0.00 2.85 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 35 R 8.86 4.91 0.00 1.84 1.73 0.00 3.31 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 36 L 8.71 4.50 0.00 1.50 1.58 0.93 0.92 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 37 L 8.69 3.87 0.00 0.92 1.24 0.17 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.75 3.77 0.00 1.98 1.81 1.16 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.29 4.98 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 0.96 0.00 0.00 40 D 9.17 4.87 0.00 2.49 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 41 T 8.32 4.76 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 42 P 0.00 4.51 0.00 2.08 2.12 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 43 E 8.99 4.26 0.00 1.99 1.83 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 2.63 2.40 0.00 44 T 8.32 4.25 4.23 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 1.20 0.00 0.00 45 K 7.39 4.41 0.00 1.68 1.71 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.32 1.40 7.81 *51 V 7.36 3.91 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 0.76 0.00 0.00 0.95 0.00 0.00 52 E 9.29 4.16 0.00 2.19 1.83 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 2.30 2.22 0.00 53 K 8.25 3.95 0.00 1.61 1.71 0.00 1.47 0.00 0.00 1.53 0.00 0.00 2.40 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.29 0.81 7.81 54 Y 7.84 4.31 0.00 3.18 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 55 G 8.25 3.61 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 0.00 0.00 0.00 56 P 0.00 4.34 0.00 2.27 2.31 0.00 3.69 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 2.03 2.01 0.00 57 E 8.18 3.97 0.00 2.41 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 0.00 2.63 2.53 0.00 58 A 8.21 4.01 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.07 4.15 0.00 4.08 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 60 A 8.45 4.09 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 61 F 8.61 4.03 0.00 3.25 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 62 T 8.18 3.82 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 1.52 0.00 0.00 63 K 8.09 3.84 0.00 1.94 2.05 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.52 7.81 64 K 8.07 3.86 0.00 1.87 1.69 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.41 7.81 65 M 7.64 3.86 0.00 1.78 1.58 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 66 Q 8.28 4.09 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 67 E 8.30 3.98 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 2.33 2.34 0.00 68 N 7.87 4.49 0.00 2.77 2.83 0.00 0.00 7.00 6.67 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 69 A 7.28 4.36 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 70 K 8.97 4.13 0.00 1.76 1.98 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.40 7.81 71 K 8.81 4.73 0.00 1.68 1.64 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.37 7.81 72 I 8.35 5.04 2.05 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.33 0.88 0.00 0.00 73 E 9.10 5.14 0.00 1.92 1.82 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 2.21 2.27 0.00 74 V 8.85 4.57 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 0.76 0.00 0.00 75 E 9.08 4.98 0.00 2.20 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 0.00 2.48 2.55 0.00 76 F 8.94 4.54 0.00 3.06 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 77 D 8.60 4.96 0.00 2.72 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 78 K 9.38 4.39 0.00 1.90 1.97 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.43 7.81 79 G 7.80 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 80 Q 8.60 4.11 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 81 R 8.60 4.62 0.00 1.75 1.85 0.00 3.31 0.00 0.00 3.72 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.29 0.00 82 T 7.56 5.09 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 1.20 0.00 0.00 83 D 8.68 4.84 0.00 2.88 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 84 K 8.52 3.85 0.00 1.57 1.86 0.00 1.43 0.00 0.00 1.35 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.21 0.21 7.81 85 Y 8.08 4.35 0.00 3.08 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 86 G 8.07 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 87 R 8.39 4.36 0.00 2.05 1.79 0.00 3.09 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 88 G 8.38 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 0.00 0.00 0.00 89 L 9.17 5.28 0.00 1.59 1.64 1.12 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.23 4.39 0.80 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 91 Y 8.56 4.73 0.00 3.02 2.63 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 0.00 0.00 0.00 0.00 92 I 8.66 4.79 1.74 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.95 0.78 0.00 0.00 93 Y 9.09 5.08 0.00 2.81 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 94 A 8.99 4.86 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 95 D 9.98 4.39 0.00 2.77 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 96 G 8.42 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 97 K 7.87 4.57 0.00 1.84 1.75 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.37 7.81 98 M 8.47 3.97 0.00 1.86 1.56 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.32 0.00 99 V 8.77 3.60 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 1.08 0.00 0.00 0.86 0.00 0.00 100 N 8.02 4.29 0.00 2.88 2.91 0.00 0.00 6.78 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 0.00 101 E 8.03 3.87 0.00 1.97 2.02 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 2.37 2.36 0.00 102 A 8.11 4.10 1.60 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 0.00 0.00 103 L 8.21 3.59 0.00 1.99 1.68 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.48 3.81 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 1.37 0.00 0.00 1.03 0.00 0.00 105 R 8.16 4.04 0.00 1.84 2.10 0.00 3.35 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 106 Q 8.02 4.19 0.00 1.84 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.36 0.00 0.00 0.00 0.00 0.00 1.87 2.20 0.00 107 G 8.21 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 0.00 108 L 7.50 4.42 0.00 1.27 1.47 0.34 0.40 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 0.00 109 A 7.32 4.50 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 4.64 0.00 1.66 1.74 0.00 1.52 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.05 1.09 7.81 111 V 8.84 4.33 2.09 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 0.77 0.00 0.00 1.01 0.00 0.00 112 A 8.56 4.56 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 0.00 113 Y 8.39 4.24 0.00 3.04 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.45 3.84 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 0.83 0.00 0.00 1.08 0.00 0.00 115 Y 8.39 4.61 0.00 3.08 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 9.27 3.71 0.00 1.54 1.64 0.00 1.46 0.00 0.00 1.30 0.00 0.00 2.62 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.30 0.75 7.81 117 G 8.28 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 7.93 4.88 0.00 2.97 2.85 0.00 0.00 6.66 7.28 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 0.00 119 N 8.17 5.19 0.00 3.09 3.02 0.00 0.00 6.11 7.22 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 0.00 120 T 8.95 3.83 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 1.02 0.00 0.00 121 H 8.30 4.83 0.00 2.95 3.11 0.00 5.62 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.30 4.01 0.00 2.14 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 0.00 2.35 2.41 0.00 123 Q 8.02 4.00 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 124 L 7.96 3.93 0.00 1.76 1.84 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.96 4.06 0.00 1.80 1.73 1.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.06 3.87 0.00 2.17 1.97 0.00 3.30 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 127 K 8.35 3.88 0.00 2.02 1.82 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.57 7.81 128 A 7.88 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.53 3.94 0.00 2.17 2.17 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 2.27 2.62 0.00 130 A 7.93 3.75 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 0.00 131 Q 8.01 3.79 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 132 A 7.94 4.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.51 3.01 0.00 0.82 1.41 0.00 1.16 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.87 0.21 7.81 134 K 7.81 3.84 0.00 1.71 1.93 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.43 7.81 135 E 7.98 4.22 0.00 2.11 1.96 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 2.31 2.44 0.00 136 K 8.21 4.14 0.00 1.82 1.90 0.00 1.67 0.00 0.00 1.51 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.31 7.81 137 L 8.22 4.21 0.00 1.90 1.55 0.98 0.59 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 0.00 138 N 9.37 3.60 0.00 2.56 1.42 0.00 0.00 7.13 7.32 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 0.00 139 I 5.42 2.57 1.15 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.08 0.10 0.00 0.00 140 W 8.10 4.83 0.00 3.52 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 0.00 141 S 8.72 4.48 0.00 3.92 3.86 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.