NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.1791 8.0932 114.8042 57.8067 64.5371 174.3824 2 L 3.9567 8.1163 120.6345 56.6491 41.1249 179.1182 3 F 4.2619 8.9781 122.3647 61.3329 39.7723 176.7542 4 E 3.5466 7.8364 117.6088 59.0487 29.2589 178.5575 5 L 3.9949 7.9013 120.5725 58.4790 42.1136 179.4713 6 G 3.5388 8.1828 105.3668 47.3734 0.0000 175.5241 7 K 3.7443 7.8129 121.9054 59.6177 32.2013 178.5614 8 M 3.9784 8.1438 119.2382 58.5709 31.7656 178.9024 9 I 3.5529 7.7844 119.7001 64.1793 37.4098 178.1668 10 L 4.2134 7.7305 122.3654 57.8003 41.6907 179.0942 11 Q 3.5506 7.6333 116.7159 58.6664 28.4772 178.3867 12 E 4.2999 8.2778 119.2010 59.4108 29.8151 178.7647 13 T 4.3070 8.4751 108.6201 63.0168 69.4113 175.9301 *15 G 4.1779 7.6761 108.9670 44.7327 0.0000 172.1592 16 K 4.4997 7.8911 119.0213 53.5235 34.6357 175.3664 17 N 4.4318 8.5442 120.0617 53.5455 39.4066 173.6297 18 P 4.4606 0.0000 0.0000 65.7455 31.5205 178.4706 19 A 4.0325 7.9711 118.8553 55.0147 18.2287 179.2304 20 K 3.9476 8.0009 116.1346 60.1489 32.4484 178.7202 21 S 4.3515 7.8489 115.1234 60.2102 62.7942 174.6602 22 Y 4.9790 8.5580 116.0244 57.0504 40.3096 177.3906 23 G 3.8479 8.4116 109.4927 48.1035 0.0000 174.9048 24 A 5.0011 7.8307 119.9278 51.6400 20.6632 174.4843 25 Y 4.3212 7.9985 119.7804 59.7603 39.6657 177.3096 26 G 3.6431 8.0878 116.5631 46.1043 0.0000 172.6852 27 C 4.6740 8.8158 115.6885 57.5161 41.9002 174.3837 28 N 4.6665 8.8621 116.1007 52.7198 40.4867 173.3160 29 C 4.7993 8.1737 116.1866 57.5977 41.4457 172.7375 30 G 4.1645 8.7753 110.9753 46.0576 0.0000 174.3246 31 V 4.0170 8.4922 113.6397 62.2813 32.1161 176.5882 32 L 4.6007 7.9408 119.4647 54.3700 42.3899 178.6128 33 G 3.8030 7.4774 108.2848 46.1608 0.0000 173.7651 34 R 5.3320 7.9150 119.6628 54.7820 31.9711 176.0617 35 G 4.3036 8.4655 108.0294 44.1093 0.0000 171.6624 36 K 4.1568 8.8733 122.1506 55.5882 32.4685 175.4269 37 P 4.4799 0.0000 0.0000 62.9446 31.7843 176.7548 38 K 3.9914 9.4752 123.4364 59.2150 32.4664 176.3059 39 D 4.5271 7.3698 115.3225 51.8502 41.8002 175.3818 40 A 4.0095 8.6303 119.6364 55.9041 18.1909 179.8573 41 T 3.7294 7.9366 113.8066 67.0091 68.4910 176.1396 42 D 4.4698 9.0023 120.1801 57.3904 41.2257 178.2365 43 R 3.9032 8.5167 119.7585 59.1890 29.9272 177.5629 44 C 4.1247 8.5137 117.1069 60.6024 41.4610 175.7163 45 C 4.1364 7.9174 117.7896 59.7654 40.7765 175.4634 46 Y 3.9385 8.3371 121.6107 60.7895 38.3428 178.4650 47 V 3.6207 8.4362 119.5175 66.1596 31.6440 177.3137 48 H 3.9467 8.4514 118.3026 59.2887 29.4492 177.3634 49 K 3.7363 7.7220 118.8211 59.5721 32.0075 178.3762 50 C 4.2946 8.0735 116.8889 60.0150 39.8345 175.2626 51 C 4.1792 8.5015 119.6558 60.0300 39.0062 175.1323 52 Y 4.2018 7.9899 117.9804 60.7121 37.2475 178.3296 53 K 3.9891 7.8168 119.0760 58.6350 31.9466 178.6195 *57 K 4.6085 7.7218 115.7876 55.6189 33.9302 175.6724 58 L 4.1648 7.5369 120.4584 54.2170 42.1404 176.5763 59 T 4.2833 8.6111 113.5736 62.3556 69.2055 173.6347 60 G 3.9281 9.6898 114.9687 45.3610 0.0000 170.2861 61 C 5.0270 7.4474 111.7826 52.2516 43.3277 172.5955 *67 D 4.5742 8.2654 117.9356 53.4770 41.1904 174.0624 68 P 3.6954 0.0000 0.0000 65.4575 31.7189 179.3825 69 K 4.0180 8.2767 117.2312 59.0949 32.4130 178.8849 70 K 4.1141 8.1960 116.1344 58.0888 32.7692 177.1666 71 D 4.4692 8.9231 121.5178 53.9961 40.8234 176.5147 72 R 4.3818 8.4174 123.7565 56.6525 30.7972 175.1915 73 Y 5.0184 7.8164 116.3930 56.4014 41.2040 173.9031 74 S 5.1377 10.2851 118.0357 57.5629 65.2507 173.0798 75 Y 5.4895 8.1523 119.8932 56.3422 40.7899 173.4839 76 S 4.6451 9.5338 114.7430 56.2476 66.9033 172.9393 77 W 5.3736 8.8235 131.4689 55.9408 31.8624 174.6610 78 K 4.3554 8.9296 129.4805 55.7695 34.0238 175.9029 79 D 4.4551 9.4719 126.7852 55.7124 38.5406 173.3461 80 K 2.0000 6.9810 109.7843 56.7425 30.0931 176.3073 81 T 4.3259 6.2394 112.9825 61.7433 73.2590 174.3229 82 I 4.8186 8.5325 127.3272 61.2834 38.2693 175.4880 83 V 4.4309 9.4566 127.1372 61.0463 34.1981 173.9697 84 C 4.9067 9.1196 126.2862 56.4854 40.9620 174.0957 85 G 4.2535 8.9056 111.6599 46.0746 0.0000 172.0893 86 E 4.8276 8.3380 119.7667 54.1286 31.6701 175.2908 87 N 4.4824 8.6925 122.5246 55.7981 39.3335 175.4817 88 N 4.3208 7.9409 117.7658 53.0208 39.7117 173.1041 *90 P 4.3294 0.0000 0.0000 62.8190 33.7411 179.3097 91 C 4.2117 8.1692 116.9758 59.7860 44.7521 175.4355 92 L 4.0684 8.7393 120.7436 57.0400 41.1625 179.4347 93 K 3.8229 8.4273 120.5155 59.4296 32.1127 178.5080 94 E 3.8648 8.3389 119.8895 58.9773 29.4212 178.4673 95 L 3.8673 8.3152 120.7569 58.2431 42.1372 177.9918 96 C 3.1704 7.5542 118.2809 59.5581 43.4633 175.4900 97 E 3.8562 8.1382 120.0026 59.3844 28.9688 178.5853 98 C 4.2532 8.4066 116.9698 60.2463 41.1131 176.0029 99 D 4.3242 8.4513 120.5753 57.1683 40.3673 178.5681 100 K 3.7680 8.3465 120.3173 59.5664 32.0912 178.4405 101 A 3.9729 8.1874 121.3242 55.2450 18.3003 180.0428 102 V 3.4192 7.7538 117.4063 64.7036 31.4438 178.5040 103 A 3.7951 7.9521 121.4268 54.8008 18.1919 179.6349 104 I 3.7882 8.0071 118.6740 64.6332 36.9832 177.7109 105 C 4.1485 8.0105 117.9551 59.7007 40.4120 175.1524 106 L 3.9249 8.1019 120.7563 57.7969 41.2237 179.5040 107 R 3.8572 7.9821 118.3672 59.6629 29.8669 178.3965 108 E 4.1425 8.6047 116.8521 58.4064 29.5393 177.5808 109 N 5.0061 7.7011 115.2964 52.7280 39.3997 176.1739 110 L 4.1090 8.0084 123.5592 57.7911 42.2745 179.5709 111 G 3.6945 8.2071 106.8660 47.7992 0.0000 174.1194 112 T 4.4888 7.7847 107.5315 60.9613 69.3518 173.6141 113 Y 3.8724 7.7330 124.5007 58.4433 39.2493 174.5891 114 N 4.7719 8.9541 126.4692 51.3851 39.2467 175.0504 115 K 4.5380 8.5365 128.1890 59.0290 32.5737 178.6822 116 K 4.1318 7.9694 117.1079 58.5612 32.1832 177.2211 117 Y 4.3867 7.8033 116.4489 58.3310 38.3835 177.3226 118 R 3.7406 7.4700 120.5642 59.0362 30.5122 176.5671 119 Y 4.8193 7.2542 111.5218 56.9448 38.3871 175.2877 120 H 4.0739 7.4366 117.3670 56.1630 30.9182 174.5789 121 L 4.3474 7.7140 127.1972 53.7338 41.4485 176.6351 122 K 4.2275 8.5900 127.2093 58.7477 32.3506 177.6549 123 P 4.1730 0.0000 0.0000 64.8772 31.3213 177.6656 *125 F 4.4640 7.7675 114.8063 57.1017 40.8160 176.0470 126 C 4.5558 8.1177 118.5385 56.9175 38.3969 174.2287 127 K 4.3229 8.5949 122.2263 56.1172 33.4029 175.9498 *129 K 4.4757 8.3912 120.4267 56.7885 33.5236 175.5769 130 A 4.3349 8.6505 126.5436 51.5720 19.3091 177.0104 131 D 4.6025 8.5050 120.7267 53.5697 41.5816 174.9778 132 P 4.4979 0.0000 0.0000 62.4993 32.0943 177.4913 133 C 4.4776 8.5627 116.2674 57.5123 41.0893 173.9604 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 8.09 5.18 0.00 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 0.00 2 L 8.12 3.96 0.00 1.79 1.85 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.98 4.26 0.00 3.14 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 4 E 7.84 3.55 0.00 1.56 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 2.26 0.00 5 L 7.90 3.99 0.00 2.07 1.88 0.86 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.18 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.81 3.74 0.00 1.62 1.73 0.00 1.55 0.00 0.00 1.49 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.20 1.15 7.81 8 M 8.14 3.98 0.00 1.91 2.12 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.10 0.00 9 I 7.78 3.55 1.95 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.92 0.88 0.00 0.00 10 L 7.73 4.21 0.00 1.71 1.71 0.90 0.26 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 11 Q 7.63 3.55 0.00 1.37 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 1.53 2.10 0.00 12 E 8.28 4.30 0.00 1.97 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 0.00 2.58 2.43 0.00 13 T 8.48 4.31 4.33 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 1.21 0.00 0.00 *15 G 7.68 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 16 K 7.89 4.50 0.00 1.78 1.54 0.00 1.38 0.00 0.00 1.40 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.26 7.81 17 N 8.54 4.43 0.00 2.79 2.71 0.00 0.00 7.03 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 18 P 0.00 4.46 0.00 2.26 2.16 0.00 3.68 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 19 A 7.97 4.03 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 20 K 8.00 3.95 0.00 1.81 1.85 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.74 7.81 21 S 7.85 4.35 0.00 3.70 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 22 Y 8.56 4.98 0.00 3.21 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 23 G 8.41 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 0.00 0.00 0.00 24 A 7.83 5.00 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 25 Y 8.00 4.32 0.00 3.23 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.09 3.64 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 0.00 27 C 8.82 4.67 0.00 3.19 3.14 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 28 N 8.86 4.67 0.00 3.10 2.84 0.00 0.00 6.91 7.33 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 29 C 8.17 4.80 0.00 3.46 3.43 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 30 G 8.78 4.16 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 0.00 31 V 8.49 4.02 2.13 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 0.88 0.00 0.00 0.98 0.00 0.00 32 L 7.94 4.60 0.00 1.67 1.71 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.48 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 34 R 7.91 5.33 0.00 1.69 2.00 0.00 2.35 0.00 0.00 3.54 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.37 0.00 35 G 8.47 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 0.00 0.00 0.00 0.00 36 K 8.87 4.16 0.00 1.87 1.72 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.41 1.41 7.81 37 P 0.00 4.48 0.00 1.95 2.02 0.00 3.49 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.91 0.00 38 K 9.48 3.99 0.00 1.14 1.14 0.00 1.47 0.00 0.00 1.33 0.00 0.00 2.37 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.23 0.26 7.81 39 D 7.37 4.53 0.00 2.90 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 40 A 8.63 4.01 1.43 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 0.00 0.00 41 T 7.94 3.73 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 0.51 0.00 0.00 42 D 9.00 4.47 0.00 3.11 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.52 3.90 0.00 2.01 1.99 0.00 3.07 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 44 C 8.51 4.12 0.00 3.04 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 45 C 7.92 4.14 0.00 3.14 3.30 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 46 Y 8.34 3.94 0.00 3.00 3.10 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 0.00 0.00 0.00 0.00 47 V 8.44 3.62 2.23 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 0.95 0.00 0.00 1.09 0.00 0.00 48 H 8.45 3.95 0.00 3.16 3.32 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.72 3.74 0.00 1.69 1.74 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.26 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.62 7.81 50 C 8.07 4.29 0.00 2.96 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.50 4.18 0.00 2.99 3.23 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 52 Y 7.99 4.20 0.00 3.15 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.82 3.99 0.00 1.96 1.84 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.69 7.81 *57 K 7.72 4.61 0.00 1.95 2.01 0.00 1.80 0.00 0.00 0.89 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.37 7.81 58 L 7.54 4.16 0.00 1.64 1.54 0.78 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.61 4.28 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 60 G 9.69 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 61 C 7.45 5.03 0.00 3.26 3.12 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 *67 D 8.27 4.57 0.00 2.78 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 68 P 0.00 3.70 0.00 1.63 0.49 0.00 3.45 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.43 0.00 69 K 8.28 4.02 0.00 2.02 1.87 0.00 1.53 0.00 0.00 2.02 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.55 7.81 70 K 8.20 4.11 0.00 2.06 1.85 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.40 7.81 71 D 8.92 4.47 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.42 4.38 0.00 1.82 1.87 0.00 3.80 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 73 Y 7.82 5.02 0.00 3.36 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 74 S 10.29 5.14 0.00 3.84 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 75 Y 8.15 5.49 0.00 3.13 3.14 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 76 S 9.53 4.65 0.00 3.86 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 77 W 8.82 5.37 0.00 3.36 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 78 K 8.93 4.36 0.00 1.72 1.54 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.25 1.33 7.81 79 D 9.47 4.46 0.00 2.61 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 80 K 6.98 2.00 0.00 1.62 1.64 0.00 1.85 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.33 7.81 81 T 6.24 4.33 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 1.14 0.00 0.00 82 I 8.53 4.82 1.97 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.87 0.88 0.00 0.00 83 V 9.46 4.43 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 1.04 0.00 0.00 0.99 0.00 0.00 84 C 9.12 4.91 0.00 3.07 2.98 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 85 G 8.91 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 0.00 0.00 0.00 0.00 86 E 8.34 4.83 0.00 1.94 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 2.27 2.42 0.00 87 N 8.69 4.48 0.00 2.77 2.87 0.00 0.00 6.94 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 88 N 7.94 4.32 0.00 2.74 2.72 0.00 0.00 7.20 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 *90 P 0.00 4.33 0.00 2.24 2.11 0.00 3.71 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 91 C 8.17 4.21 0.00 3.11 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 92 L 8.74 4.07 0.00 1.72 1.77 1.03 0.93 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 93 K 8.43 3.82 0.00 2.00 2.03 0.00 1.47 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.45 7.81 94 E 8.34 3.86 0.00 2.16 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 2.29 2.30 0.00 95 L 8.32 3.87 0.00 1.71 1.72 0.75 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 96 C 7.55 3.17 0.00 2.19 2.93 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 97 E 8.14 3.86 0.00 2.12 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 2.45 2.45 0.00 98 C 8.41 4.25 0.00 3.35 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 99 D 8.45 4.32 0.00 2.86 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.35 3.77 0.00 1.71 1.92 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.48 7.81 101 A 8.19 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.75 3.42 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 0.53 0.00 0.00 0.69 0.00 0.00 103 A 7.95 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.01 3.79 2.05 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 1.55 0.85 0.90 0.00 0.00 105 C 8.01 4.15 0.00 3.06 3.22 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 0.00 106 L 8.10 3.92 0.00 1.47 1.07 -0.04 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.98 3.86 0.00 1.87 2.09 0.00 3.16 0.00 0.00 3.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 108 E 8.60 4.14 0.00 2.08 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 2.35 2.52 0.00 109 N 7.70 5.01 0.00 2.74 2.79 0.00 0.00 6.46 6.80 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 0.00 110 L 8.01 4.11 0.00 2.05 1.70 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.21 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.78 4.49 4.28 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 1.24 0.00 0.00 113 Y 7.73 3.87 0.00 3.10 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 0.00 114 N 8.95 4.77 0.00 2.25 1.82 0.00 0.00 6.43 6.74 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 0.00 115 K 8.54 4.54 0.00 2.09 1.90 0.00 1.86 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.53 7.81 116 K 7.97 4.13 0.00 1.66 1.78 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.45 7.81 117 Y 7.80 4.39 0.00 1.64 1.61 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 0.00 118 R 7.47 3.74 0.00 1.84 1.91 0.00 3.24 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.38 0.00 119 Y 7.25 4.82 0.00 3.01 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 0.00 120 H 7.44 4.07 0.00 2.99 3.29 0.00 5.94 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 0.00 121 L 7.71 4.35 0.00 1.46 1.59 0.98 0.83 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 0.00 122 K 8.59 4.23 0.00 1.91 1.89 0.00 1.78 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.73 1.52 7.81 123 P 0.00 4.17 0.00 2.10 2.02 0.00 3.75 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 2.15 2.13 0.00 *125 F 7.77 4.46 0.00 3.19 3.22 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 0.00 126 C 8.12 4.56 0.00 2.96 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 0.00 127 K 8.59 4.32 0.00 1.71 1.75 0.00 1.69 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.53 1.45 7.81 *129 K 8.39 4.48 0.00 1.80 1.87 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.47 7.81 130 A 8.65 4.33 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.51 4.60 0.00 2.78 2.70 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 0.00 132 P 0.00 4.50 0.00 2.07 2.00 0.00 3.73 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 2.05 2.13 0.00 133 C 8.56 4.48 0.00 2.91 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.