NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 G 3.8994 8.3544 109.7425 44.8647 0.0000 172.3653 12 E 4.3951 7.5722 119.3648 52.7580 33.0865 172.7807 13 A 3.8066 8.1621 123.0046 53.1518 19.3413 176.7879 14 H 4.4290 8.2489 114.7509 54.8570 29.1873 173.7644 15 M 4.2431 8.5361 122.5071 55.0722 31.7966 176.2273 16 V 4.0633 7.9566 119.3398 61.7828 32.9486 174.8769 17 D 4.6172 8.4097 123.4923 54.0730 41.7006 176.3981 18 V 4.2987 8.1782 117.5774 61.1704 32.0553 176.7969 19 S 3.9610 8.1981 116.4316 61.6498 62.8882 175.6741 20 A 4.4134 7.5164 130.9611 50.9553 17.2988 176.3959 21 K 4.3765 7.8768 117.9783 55.0028 35.4697 175.5143 22 A 3.8825 7.9409 122.5017 51.8260 18.0948 175.6522 23 E 4.6752 8.3840 120.3039 55.7424 31.1830 175.2303 24 T 4.5547 9.0118 115.1341 60.6985 73.0724 172.7983 25 V 4.4349 8.3082 122.3481 62.4062 31.6606 175.1499 26 R 5.2340 8.9930 127.8996 54.5055 32.5669 175.3376 27 E 5.3118 8.3327 120.2393 55.6721 33.3677 173.4226 28 A 5.1443 8.7907 124.7079 51.0622 23.4465 175.4445 29 R 5.4606 9.6344 118.4553 53.3212 34.3213 174.5732 30 A 5.2558 8.3771 123.1794 50.1575 23.4889 174.3485 31 E 5.1135 9.1791 115.9695 54.8676 33.4635 174.6247 32 A 5.4306 8.3546 120.9715 50.5786 23.4061 175.1868 33 F 5.2562 8.7299 117.0859 55.6377 43.7619 174.0953 34 V 4.8747 8.6717 122.3138 61.6219 34.0594 174.2985 35 T 5.0753 9.0323 126.0706 62.8832 70.3084 174.1297 36 M 5.1637 8.7709 122.5108 54.2389 34.9948 174.5032 37 R 4.2358 9.8163 118.5061 55.6271 31.2395 178.0814 38 S 4.1936 8.8937 116.1922 62.1225 62.5843 176.7314 39 E 3.9399 8.1669 121.8629 59.1235 28.9965 179.2428 40 T 3.8561 7.7921 113.9972 66.6454 68.9250 175.8043 41 L 4.0944 8.0693 121.7714 58.1480 41.7079 178.5710 42 A 3.9658 8.5441 120.9663 55.8038 18.1604 179.5355 43 M 3.9358 8.2321 116.9647 58.4841 31.7060 179.0116 44 I 3.6458 7.4476 119.1644 64.4180 37.4234 178.0381 45 I 3.8898 7.2192 117.2793 62.5321 37.0558 176.2073 46 D 4.7931 7.6828 117.5736 53.3559 42.1375 175.3600 47 G 3.8151 7.8031 108.5605 44.2641 0.0000 174.4877 48 R 3.6002 8.5721 126.0320 55.7716 30.1347 175.4108 49 H 4.5261 8.2234 114.9223 55.5008 29.3391 176.3984 50 H 4.4106 8.5571 115.5079 57.9139 28.4520 176.9135 51 K 4.0698 7.6796 119.4972 58.5537 32.8120 175.6864 52 G 3.7577 7.3096 103.5808 44.2527 0.0000 174.7403 53 D 4.4135 8.7916 121.3736 53.9004 41.1441 177.5367 54 V 3.6000 8.2465 126.4068 66.1427 31.6282 177.5523 55 F 4.3543 8.2628 116.5336 60.6421 38.7528 177.3459 56 A 4.0430 8.2392 119.9041 55.6387 18.1888 179.8973 57 T 3.8826 8.0798 114.0150 66.6536 68.4888 177.0423 58 A 4.0355 8.2694 122.8435 54.7988 18.3609 179.7078 59 R 3.7663 8.2195 117.5525 59.7921 30.2064 178.8931 60 I 3.7220 7.5870 119.2972 64.1298 36.9919 178.3341 61 A 4.0565 8.0582 121.7508 55.1386 18.2625 179.8068 62 G 3.5768 8.1952 104.3182 48.0571 0.0000 175.9019 63 I 3.7086 7.8303 122.2101 64.2625 36.9295 178.5992 64 Q 4.0295 8.0499 117.4162 58.8897 28.8172 178.3921 65 A 4.0564 8.2731 121.7313 54.9804 18.2440 179.4313 66 A 3.9558 7.9996 119.3339 55.4090 18.2710 179.9927 67 K 4.2130 7.7227 114.2524 58.4608 32.3482 178.7514 68 R 4.0801 7.5249 117.4054 56.0783 30.1850 177.8708 69 T 3.8147 7.6018 119.3212 66.4961 68.1997 176.3900 70 W 4.2538 8.1387 117.0106 59.2715 28.1215 177.0124 71 D 4.1175 6.5801 117.4839 55.5737 40.7020 177.4784 72 L 4.4020 7.4206 117.8546 54.6149 42.4957 176.2013 73 I 4.3093 7.5285 120.4641 58.7769 37.9711 174.2214 74 P 4.2265 0.0000 0.0000 65.5615 31.1780 177.6220 75 L 4.5376 7.7365 113.9111 54.6442 41.7252 176.4324 76 C 4.5230 7.9222 116.9596 59.7629 28.8756 172.6314 77 H 4.9568 8.4635 118.5192 53.1658 30.2972 173.5694 78 P 4.3160 0.0000 0.0000 62.9874 31.6632 175.5963 79 L 4.2670 7.5555 115.7577 55.4056 42.2925 175.2774 80 M 4.3098 8.5145 122.0211 54.3363 30.3065 174.9778 81 L 4.1089 8.1843 122.8712 54.9175 42.4775 177.5180 82 S 4.5981 8.8755 117.9799 59.2857 65.0141 173.8922 83 K 4.4308 7.5263 119.4618 55.5246 35.4270 173.9825 84 V 4.9323 8.4873 126.4767 61.2928 34.5674 174.1242 85 E 4.7864 9.6851 126.6818 54.4948 33.6218 174.9898 86 V 4.6324 8.3911 122.3938 61.3694 34.1467 174.0100 87 N 5.0154 9.2077 126.2667 51.4006 41.0803 173.9156 88 L 4.8424 8.2690 122.4320 52.8663 44.7453 175.9280 89 Q 4.5716 8.6873 123.6092 54.3441 32.4062 173.7074 90 A 4.4989 9.2145 129.1568 52.4754 19.4040 177.1600 91 E 4.6801 9.2667 122.3544 53.3242 30.1932 174.8262 92 P 4.3194 0.0000 0.0000 65.2531 31.9206 179.4585 93 E 4.0272 8.1785 115.7882 58.4969 29.5536 176.9454 94 H 4.8275 7.9110 114.1574 54.5808 30.3875 173.2053 95 N 4.1911 7.9101 116.6251 53.3049 36.3445 172.5952 96 R 4.9591 7.1952 112.3764 55.8718 33.4521 174.6253 97 V 4.7881 8.8133 119.9596 61.2127 34.0299 174.0517 98 R 4.6176 8.9413 128.3339 54.6965 32.2086 174.5707 99 I 4.6854 8.5372 127.3592 59.3594 40.0121 174.0766 100 E 5.0423 9.0296 127.9881 54.4486 32.7621 174.6620 101 T 5.1579 8.9381 116.3606 59.9672 72.9304 172.5997 102 L 5.1412 8.7467 123.5140 54.0384 45.8858 174.3914 103 C 5.4585 9.1099 123.1572 58.2619 32.2216 172.9884 104 R 5.2464 8.6551 121.2126 55.3993 33.9185 173.3734 105 L 4.7984 8.3490 122.0733 56.4046 44.3990 173.0974 106 T 4.8515 8.2198 116.5946 62.8219 69.9417 174.2163 107 G 3.9061 8.8717 117.0492 47.8648 0.0000 173.1015 108 K 4.5456 8.9201 119.8258 56.0393 32.8435 173.4523 109 T 3.9525 7.6872 115.8967 63.2358 68.8178 174.7939 110 G 3.9829 8.4246 114.6014 45.4640 0.0000 173.2569 111 V 5.3028 7.7115 109.6886 59.8850 32.7879 178.6913 112 E 3.9981 8.4329 121.2418 59.9655 29.4914 178.6040 113 M 4.1399 7.9963 118.2207 58.2242 32.0721 178.5301 114 E 4.1129 8.4257 119.5357 58.8521 29.7320 179.0804 115 A 4.0062 7.9085 120.3645 55.1075 18.4040 179.7263 116 L 3.9427 8.0243 117.5385 58.2478 41.6611 179.9297 117 T 3.8543 8.3642 115.9508 66.4698 68.3867 176.7471 118 A 4.0512 8.1495 122.5734 55.0623 18.4044 179.5972 119 A 3.9034 8.0291 119.3792 55.2677 18.3415 180.1057 120 S 4.0387 8.1959 113.8002 61.8024 62.9094 177.1596 121 V 3.5486 8.0006 120.7958 65.5623 31.2519 177.7383 122 A 4.0647 8.0321 120.4877 55.2869 18.2340 179.4010 123 A 3.9622 7.9816 119.0033 55.4121 18.3612 179.8221 124 L 3.9824 8.2600 117.7507 58.2973 41.6690 179.9698 125 T 3.9191 8.1681 115.7629 66.5052 68.2380 176.8199 126 I 3.7393 7.8964 121.7971 64.4718 37.1671 177.5347 127 Y 3.8862 8.0435 120.2824 60.9263 38.3766 177.6082 128 D 4.4808 8.3288 117.5801 58.0293 41.3912 178.1651 129 M 4.1894 8.1232 117.1090 57.3211 32.3293 177.3428 130 C 4.3544 7.4774 115.0044 59.2872 29.2332 175.6449 131 K 3.6938 7.8409 120.8380 59.7285 31.4570 178.0037 132 A 4.0057 8.0424 119.5928 55.7176 18.2786 179.3978 133 V 3.8043 7.6331 115.3438 64.4343 31.8616 176.3937 134 Q 4.4304 7.4548 118.8695 54.5924 31.8741 174.0430 135 K 4.4436 8.6907 123.6052 57.0557 33.4724 176.1367 136 D 5.0289 7.5816 119.2047 53.2593 39.9047 175.8031 137 M 4.4262 8.0845 118.3470 56.5501 33.0277 176.0837 138 V 4.5643 8.4429 120.8244 61.2707 34.7829 174.1566 139 I 4.8147 9.7876 128.1928 59.3576 38.4524 174.4722 140 G 4.3219 8.5773 112.7283 42.4656 0.0000 171.3268 141 P 4.6733 0.0000 0.0000 62.2741 33.4592 175.1004 142 V 4.9481 8.0546 119.8405 61.4297 33.6397 174.4455 143 R 4.6115 8.5233 123.0816 55.1423 33.1368 173.9300 144 L 4.5450 8.4610 121.5802 55.3107 42.5574 175.7059 145 L 4.6738 9.0270 122.7832 55.9374 43.8892 176.7836 146 A 5.0765 7.6758 118.1593 50.6270 22.8361 175.1287 147 K 5.0264 9.1603 118.5484 55.9222 36.6998 175.0753 148 S 4.4899 9.5827 116.0283 57.4319 66.0735 173.7954 *152 S 4.5496 8.6863 120.3201 58.3468 63.2069 172.3373 153 G 3.9832 7.5402 108.0362 45.6615 0.0000 169.9000 154 D 5.0739 7.6626 117.7246 52.3765 43.7441 174.4851 155 F 5.2841 8.4301 126.5990 57.7322 42.9135 175.1580 156 K 3.8945 6.3996 123.5212 54.9570 32.2104 175.7206 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 11 G 8.35 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.57 4.40 0.00 1.90 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 0.00 2.15 2.39 0.00 13 A 8.16 3.81 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 14 H 8.25 4.43 0.00 3.19 3.28 0.00 5.56 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 M 8.54 4.24 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 16 V 7.96 4.06 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 0.96 0.00 0.00 17 D 8.41 4.62 0.00 2.68 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 18 V 8.18 4.30 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 0.65 0.00 0.00 0.85 0.00 0.00 19 S 8.20 3.96 0.00 3.84 3.88 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 20 A 7.52 4.41 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 21 K 7.88 4.38 0.00 1.79 1.73 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.48 7.81 22 A 7.94 3.88 1.35 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 0.00 0.00 0.00 23 E 8.38 4.68 0.00 1.98 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 2.23 2.28 0.00 24 T 9.01 4.55 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 25 V 8.31 4.43 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 0.80 0.00 0.00 0.93 0.00 0.00 26 R 8.99 5.23 0.00 1.72 1.82 0.00 3.38 0.00 0.00 3.19 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 27 E 8.33 5.31 0.00 2.02 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 0.00 2.33 2.47 0.00 28 A 8.79 5.14 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 29 R 9.63 5.46 0.00 1.65 1.79 0.00 3.06 0.00 0.00 3.41 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.42 0.00 30 A 8.38 5.26 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 31 E 9.18 5.11 0.00 1.78 1.89 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 2.18 2.21 0.00 32 A 8.35 5.43 1.12 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 33 F 8.73 5.26 0.00 3.19 2.90 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 0.00 0.00 0.00 34 V 8.67 4.87 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 1.15 0.00 0.00 0.99 0.00 0.00 35 T 9.03 5.08 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 1.23 0.00 0.00 36 M 8.77 5.16 0.00 1.94 2.13 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 37 R 9.82 4.24 0.00 1.98 2.05 0.00 3.14 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 38 S 8.89 4.19 0.00 4.04 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 0.00 39 E 8.17 3.94 0.00 2.07 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 2.39 2.46 0.00 40 T 7.79 3.86 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 1.23 0.00 0.00 41 L 8.07 4.09 0.00 1.80 1.68 1.02 1.08 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 42 A 8.54 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 43 M 8.23 3.94 0.00 1.68 2.08 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.47 0.00 44 I 7.45 3.65 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.60 0.47 0.00 0.00 45 I 7.22 3.89 1.93 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 0.58 0.86 0.00 0.00 46 D 7.68 4.79 0.00 2.79 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 3.82 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 0.00 0.00 0.00 48 R 8.57 3.60 0.00 1.88 2.01 0.00 3.32 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.64 0.00 49 H 8.22 4.53 0.00 3.10 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.56 4.41 0.00 3.27 3.45 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.68 4.07 0.00 1.69 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.23 7.81 52 G 7.31 3.76 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 0.00 0.00 0.00 53 D 8.79 4.41 0.00 2.73 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 54 V 8.25 3.60 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 1.18 0.00 0.00 0.94 0.00 0.00 55 F 8.26 4.35 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 56 A 8.24 4.04 1.49 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 57 T 8.08 3.88 4.39 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 1.23 0.00 0.00 58 A 8.27 4.04 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.22 3.77 0.00 1.92 2.11 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 60 I 7.59 3.72 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 1.73 0.70 0.91 0.00 0.00 61 A 8.06 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.20 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 3.71 1.99 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 1.52 1.19 0.92 0.00 0.00 64 Q 8.05 4.03 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 65 A 8.27 4.06 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 0.00 0.00 0.00 66 A 8.00 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.72 4.21 0.00 1.98 1.99 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.68 7.81 68 R 7.52 4.08 0.00 1.80 1.58 0.00 2.99 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.75 0.00 69 T 7.60 3.81 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 1.23 0.00 0.00 70 W 8.14 4.25 0.00 3.58 3.38 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 71 D 6.58 4.12 0.00 1.58 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 0.00 0.00 0.00 0.00 72 L 7.42 4.40 0.00 1.54 1.61 0.82 0.68 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 73 I 7.53 4.31 1.89 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 1.42 1.24 0.92 0.00 0.00 74 P 0.00 4.23 0.00 2.03 2.14 0.00 3.65 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 2.03 2.12 0.00 75 L 7.74 4.54 0.00 1.64 1.68 0.93 0.91 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 76 C 7.92 4.52 0.00 3.22 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 77 H 8.46 4.96 0.00 3.09 3.21 0.00 5.90 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.32 0.00 1.70 0.91 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.56 0.00 79 L 7.56 4.27 0.00 1.70 1.62 0.96 0.82 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 80 M 8.51 4.31 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 81 L 8.18 4.11 0.00 1.67 1.64 1.01 0.97 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 82 S 8.88 4.60 0.00 3.88 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.53 4.43 0.00 1.81 1.64 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.39 7.81 84 V 8.49 4.93 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 0.87 0.00 0.00 0.95 0.00 0.00 85 E 9.69 4.79 0.00 1.84 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 0.00 2.21 2.21 0.00 86 V 8.39 4.63 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 0.96 0.00 0.00 87 N 9.21 5.02 0.00 2.55 2.63 0.00 0.00 6.39 6.35 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 88 L 8.27 4.84 0.00 0.59 0.13 0.63 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 8.69 4.57 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 90 A 9.21 4.50 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 91 E 9.27 4.68 0.00 2.12 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 2.29 2.51 0.00 92 P 0.00 4.32 0.00 2.22 2.32 0.00 3.72 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 2.08 1.97 0.00 93 E 8.18 4.03 0.00 2.00 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 1.92 2.07 0.00 94 H 7.91 4.83 0.00 3.17 3.28 0.00 5.81 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 7.91 4.19 0.00 2.94 3.15 0.00 0.00 6.54 7.09 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 96 R 7.20 4.96 0.00 2.11 2.05 0.00 2.92 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 97 V 8.81 4.79 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 0.80 0.00 0.00 1.14 0.00 0.00 98 R 8.94 4.62 0.00 2.09 1.73 0.00 3.32 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.89 0.00 99 I 8.54 4.69 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.46 0.77 0.00 0.00 100 E 9.03 5.04 0.00 1.87 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 2.12 2.14 0.00 101 T 8.94 5.16 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 1.14 0.00 0.00 102 L 8.75 5.14 0.00 1.73 1.48 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 103 C 9.11 5.46 0.00 2.89 2.77 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 0.00 104 R 8.66 5.25 0.00 1.85 1.71 0.00 3.13 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 105 L 8.35 4.80 0.00 1.88 1.71 0.97 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.22 4.85 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 0.00 107 G 8.87 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 K 8.92 4.55 0.00 1.78 1.71 0.00 1.72 0.00 0.00 0.61 0.00 0.00 2.77 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.29 0.97 7.81 109 T 7.69 3.95 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 1.17 0.00 0.00 110 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 0.00 111 V 7.71 5.30 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 0.85 0.00 0.00 0.95 0.00 0.00 112 E 8.43 4.00 0.00 2.07 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 2.42 2.48 0.00 113 M 8.00 4.14 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.60 0.00 114 E 8.43 4.11 0.00 2.22 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 2.45 2.50 0.00 115 A 7.91 4.01 1.32 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 0.00 0.00 0.00 116 L 8.02 3.94 0.00 1.85 1.72 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.36 3.85 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 1.17 0.00 0.00 118 A 8.15 4.05 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 0.00 119 A 8.03 3.90 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 0.00 120 S 8.20 4.04 0.00 3.98 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 0.00 121 V 8.00 3.55 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 1.04 0.00 0.00 0.94 0.00 0.00 122 A 8.03 4.06 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 0.00 123 A 7.98 3.96 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 0.00 124 L 8.26 3.98 0.00 1.82 1.70 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 125 T 8.17 3.92 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 1.29 0.00 0.00 126 I 7.90 3.74 2.05 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 1.67 1.70 0.98 0.00 0.00 127 Y 8.04 3.89 0.00 3.25 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 0.00 128 D 8.33 4.48 0.00 2.82 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 0.00 129 M 8.12 4.19 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.98 0.00 130 C 7.48 4.35 0.00 2.72 2.77 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 0.00 131 K 7.84 3.69 0.00 1.99 1.89 0.00 1.87 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.62 1.78 7.81 132 A 8.04 4.01 1.37 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 0.00 133 V 7.63 3.80 2.25 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 0.84 0.00 0.00 0.99 0.00 0.00 134 Q 7.45 4.43 0.00 1.93 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 135 K 8.69 4.44 0.00 1.92 1.90 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.37 7.81 136 D 7.58 5.03 0.00 2.78 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 0.00 137 M 8.08 4.43 0.00 1.93 1.60 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 138 V 8.44 4.56 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 1.10 0.00 0.00 1.02 0.00 0.00 139 I 9.79 4.81 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 1.38 0.89 0.94 0.00 0.00 140 G 8.58 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 0.00 0.00 0.00 0.00 141 P 0.00 4.67 0.00 2.20 2.22 0.00 3.66 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 2.27 1.97 0.00 142 V 8.05 4.95 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 0.85 0.00 0.00 0.95 0.00 0.00 143 R 8.52 4.61 0.00 1.92 2.00 0.00 2.84 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 144 L 8.46 4.54 0.00 1.67 1.60 0.95 0.91 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 0.00 145 L 9.03 4.67 0.00 1.40 1.54 0.85 0.71 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 0.00 146 A 7.68 5.08 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 0.00 147 K 9.16 5.03 0.00 1.85 1.89 0.00 1.26 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.47 7.81 148 S 9.58 4.49 0.00 3.87 3.71 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 0.00 0.00 0.00 *152 S 8.69 4.55 0.00 4.05 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 0.00 153 G 7.54 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 0.00 154 D 7.66 5.07 0.00 2.75 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.43 5.28 0.00 2.88 2.90 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 0.00 0.00 0.00 156 K 6.40 3.89 0.00 1.77 1.48 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.27 0.99 7.81 * Residues marked with a * may have inaccurate shift predictions.