NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 E 4.0402 8.4444 121.4464 56.0042 31.0871 174.8900 16 R 2.6468 7.3440 117.4320 58.7817 31.4403 173.8924 17 E 4.5031 8.7839 113.5197 56.8003 30.8094 177.1263 18 G 3.9651 8.2238 108.7093 44.9534 0.0000 175.7116 19 I 3.7554 8.3537 121.3125 64.4894 36.7096 177.9464 20 L 4.0066 8.0126 121.0018 57.9484 41.9296 178.3414 21 F 4.2336 8.2280 119.5695 62.0746 39.4085 177.1136 22 T 3.8086 8.5025 115.6101 67.0093 68.0395 176.5033 23 T 3.8593 8.4648 117.8890 66.4163 68.5354 175.7970 24 L 4.1012 7.5169 123.3231 57.3313 42.1787 178.1151 25 E 3.9506 8.1334 117.6973 59.5177 29.5180 179.4633 26 K 4.1900 8.3548 119.7004 59.4228 32.5689 178.9439 27 L 4.0278 7.4640 120.4473 57.5491 42.0361 178.9565 28 V 3.5453 8.2206 118.4848 65.8879 31.4983 177.6196 29 A 4.0222 8.5610 120.8046 55.2718 18.0379 179.1788 30 W 4.1923 7.9900 124.8340 61.0151 30.8056 177.9696 31 G 3.8188 8.1939 105.4738 47.5931 0.0000 175.4483 32 R 4.3433 8.7652 123.2752 57.1877 29.9310 178.5374 33 S 3.9445 7.9470 112.3062 61.0481 62.4474 174.5820 34 N 4.7432 8.1918 116.6557 52.6858 39.3183 175.0025 35 S 4.6770 7.4033 114.5256 58.0240 63.8704 173.7299 36 L 4.7386 7.8064 120.8327 54.7454 42.0861 176.9951 37 W 5.3818 9.9321 135.0000 54.4887 31.1331 170.8703 38 P 4.4809 0.0000 0.0000 62.7976 31.1532 176.1662 39 A 4.5541 8.4701 128.1452 49.2371 18.4473 174.1683 40 T 4.0254 7.9802 114.2218 61.8906 68.5223 173.8242 41 F 5.2110 9.1889 129.7225 56.9059 38.5460 174.1170 42 G 3.5157 7.9861 108.4313 47.2729 0.0000 171.3153 43 L 4.4858 8.9722 117.8966 54.1568 43.9029 180.1984 44 A 4.6066 8.2437 133.8815 51.9505 18.5438 180.3615 45 C 4.0168 8.9629 109.3977 63.4671 29.8025 176.0561 46 C 3.9724 8.3636 117.4014 62.6213 27.3867 175.5316 47 A 3.9368 7.5833 120.8819 55.6491 18.1782 179.5447 48 I 3.8558 7.7612 117.8469 64.3038 37.1451 177.8855 49 E 4.1554 8.0955 117.8706 57.7997 30.0199 176.6108 50 M 4.3419 7.9554 115.1675 56.5762 32.0897 177.5747 51 M 4.2107 7.8452 119.1125 57.1130 32.4303 177.1350 52 A 4.4853 7.8979 120.6476 52.3816 18.6140 177.6290 53 S 4.6407 7.5767 110.3888 59.5296 64.1234 175.2693 54 T 4.2689 7.3318 119.2533 62.4793 67.0957 176.0050 55 D 4.6343 7.6512 120.2299 52.7614 41.8662 174.7915 56 A 4.5374 7.9666 134.2288 51.0778 20.5680 174.9662 *74 Q 4.2009 8.3043 113.5173 56.2802 30.0730 173.9715 75 A 5.0366 8.2835 120.0728 50.7906 21.9942 174.7168 76 D 4.8855 8.1549 119.2300 51.7716 43.1325 174.4471 77 V 3.8413 8.4298 117.2516 63.9046 29.0481 169.1564 78 M 4.9440 8.7388 119.9785 53.7078 33.7535 175.6489 79 I 4.7060 7.9931 123.7342 59.8419 39.4507 174.9721 80 V 4.5108 8.6492 128.4891 62.0512 32.5746 174.4693 81 A 4.8001 9.5499 130.3048 49.8946 19.8532 175.6265 82 G 4.1181 8.0895 108.2702 43.7941 0.0000 169.9819 83 R 3.9209 7.7864 117.4160 55.9039 30.1985 176.9304 84 L 4.2204 8.4946 127.5783 53.5548 42.0068 175.7314 85 S 4.5192 8.3095 120.3181 57.9458 63.2673 174.9971 86 K 4.0153 8.2862 123.4406 59.1822 31.7994 179.5177 87 K 4.0927 7.8938 119.0540 59.4099 32.4673 178.0154 88 M 4.2066 8.0090 117.9356 58.4799 32.3339 176.9032 89 A 3.8004 8.1592 119.6889 55.1895 18.4553 177.2808 90 P 4.2093 0.0000 0.0000 65.9731 31.1744 178.8158 91 V 3.5006 7.8592 117.5749 66.1703 31.3508 177.4343 92 M 3.7205 8.2310 116.1824 59.2762 32.1239 177.2332 93 R 3.9292 8.0130 117.8866 59.5756 29.8287 178.2486 94 R 3.7364 8.3337 119.1300 58.7614 30.0868 179.0570 95 V 3.6327 7.5813 116.6005 64.6347 31.3915 177.6652 96 W 4.2748 8.9408 129.5763 60.4136 30.8641 177.6134 97 E 3.6306 8.5502 118.0117 59.0550 29.2418 177.6314 98 Q 4.2387 7.5200 119.0868 56.2962 28.9422 174.5612 99 M 4.7882 7.0975 115.3546 52.2916 36.3535 173.9326 100 P 4.2654 0.0000 0.0000 62.8477 32.2082 176.0791 101 D 4.2432 8.5798 123.2261 56.8907 41.5095 176.4321 102 P 4.1651 0.0000 0.0000 61.6183 28.8500 174.6034 103 K 4.5832 6.7884 120.2290 54.7046 36.7805 175.0395 104 W 5.4887 8.5210 118.2813 55.6996 34.5050 174.2641 105 V 5.0022 9.1050 119.8291 61.7209 34.6688 173.6014 106 I 4.9768 8.5152 128.3954 59.4502 40.3932 174.5616 107 S 4.8715 8.7584 122.7154 57.1457 64.6145 172.9731 108 M 4.4004 9.3514 126.7446 55.5860 32.8278 177.3720 109 G 3.8388 8.9808 116.0585 44.5472 0.0000 172.7050 110 A 3.7296 8.8421 117.7274 56.1672 18.0706 181.2107 111 C 3.6694 8.3144 114.7088 61.5655 29.4749 175.9250 112 A 4.0597 7.9554 122.5083 54.9744 18.2706 179.1271 113 S 4.1812 7.7466 109.3257 61.2725 63.5392 177.0417 114 S 5.0524 7.7236 115.2673 56.7529 65.6514 176.3061 115 G 4.3699 8.0406 103.2137 45.1982 0.0000 174.6283 116 G 3.9044 8.4479 109.2268 46.9337 0.0000 175.0621 117 M 4.3037 8.2977 121.7346 54.7665 31.4276 176.6327 118 F 4.5890 7.7306 119.2337 56.2557 39.4730 173.5400 119 N 4.7142 8.3206 121.9386 52.2981 37.9697 174.2630 120 N 4.7111 8.2169 119.2388 51.8074 39.6460 175.0639 121 Y 4.1387 9.3893 117.0887 60.2478 38.1299 177.9991 122 A 3.6110 6.8188 122.7092 53.8932 18.6493 177.0299 123 I 4.6209 6.8131 114.3439 59.0520 39.9861 175.7033 124 V 3.8591 7.7915 122.5560 62.7240 32.0326 176.8055 125 Q 4.0765 8.6733 124.9612 58.4795 29.1567 175.5536 126 N 5.2728 7.9774 112.1287 53.5959 41.1452 174.5975 127 V 3.4670 8.6456 127.8352 66.2753 31.5980 177.0609 128 D 4.8888 8.7734 116.4870 55.3077 40.8786 176.5856 129 S 4.4736 8.4503 113.7412 60.2933 63.3158 174.2857 130 V 4.1241 7.9814 111.6042 62.1669 33.6385 175.8351 131 V 3.2693 7.0472 112.0728 58.0254 33.1791 173.7253 132 P 4.4043 0.0000 0.0000 63.0272 31.6133 175.7729 133 V 4.2147 9.0702 123.5326 61.7431 32.7145 174.9519 134 D 4.8272 8.9751 126.1582 55.4919 42.6790 177.3877 135 V 4.4302 7.3112 117.7977 61.5339 34.8683 173.5630 136 Y 5.3088 9.1468 125.4646 55.8702 40.0119 175.4907 137 V 4.4902 8.7233 122.9861 58.2989 33.9735 175.7414 138 P 4.8795 0.0000 0.0000 62.8771 28.9833 174.9135 139 G 4.0943 7.4958 107.0360 45.3731 0.0000 172.6966 140 C 5.4579 7.7741 114.9770 58.4905 32.8163 170.8199 141 P 4.8341 0.0000 0.0000 59.9907 33.2755 174.6575 142 P 4.3499 0.0000 0.0000 62.3676 32.0388 176.2331 143 R 3.9222 8.5920 120.7265 56.0007 31.0832 175.1509 144 P 4.2218 0.0000 0.0000 66.3114 31.3365 178.5396 145 E 3.9939 8.4158 116.1462 59.6853 29.3721 179.3077 146 A 3.9771 8.1908 120.7791 55.2155 18.4818 179.4241 147 L 3.9674 8.2943 119.1459 58.4912 42.1117 178.8604 148 I 3.6409 7.7321 119.2918 64.5886 37.2100 177.2934 149 Y 4.0735 8.3522 120.1192 60.7605 38.5924 178.7359 150 A 4.0300 7.8915 121.1515 55.4446 17.8945 180.1233 151 V 3.5568 7.7251 110.6982 64.4734 31.4060 178.6428 152 M 4.1810 7.8536 118.7682 58.4506 31.6335 178.5271 153 Q 3.6419 7.5286 118.9613 58.8207 29.1799 177.9520 154 L 3.7625 7.4879 120.9134 58.2839 41.9058 178.2388 155 Q 3.6330 9.0260 119.4820 59.4434 28.9083 178.4830 156 K 3.9921 8.8765 119.2168 57.8013 32.0416 178.4640 157 K 4.0939 7.3694 120.2632 58.4334 32.7262 178.4039 158 V 3.7443 7.7551 111.8810 64.4164 31.3544 178.6285 159 R 4.1044 7.3502 117.2478 59.0466 30.3226 178.0616 160 G 4.1145 8.0546 105.5697 45.4316 0.0000 174.6890 161 Q 4.3215 7.3334 114.0842 56.8100 28.4835 176.7010 162 A 4.2561 7.5555 121.3463 49.9523 19.1411 173.8256 163 Y 4.7799 7.0795 117.9076 55.5934 40.1539 175.6537 164 N 4.8364 8.8645 118.9916 54.6467 42.3533 174.6843 165 E 3.8139 8.3964 118.3845 57.5827 28.3960 177.2197 166 R 3.8271 9.0016 119.9186 57.9819 31.2050 176.0152 167 G 4.0923 8.9709 105.0360 46.1399 0.0000 173.5370 168 E 4.3798 7.7141 117.9210 54.9009 30.7220 176.2888 169 R 4.2272 8.3036 121.0154 56.0340 30.6797 176.1807 170 L 4.5982 8.6007 123.5467 52.4603 42.9804 174.9868 171 P 4.5760 0.0000 0.0000 62.3967 31.9487 174.4760 172 P 4.7556 0.0000 0.0000 64.0592 32.0308 176.3049 173 V 4.4407 7.6183 110.4044 59.5614 33.9593 175.0416 174 A 4.4373 8.8429 121.8655 52.7325 19.4673 176.1733 175 A 4.1539 8.7524 122.6387 52.3451 18.8509 177.3561 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 15 E 8.44 4.04 0.00 1.87 1.87 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 2.13 2.22 0.00 16 R 7.34 2.65 0.00 1.85 1.64 0.00 3.51 0.00 0.00 3.59 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.71 0.00 17 E 8.78 4.50 0.00 2.03 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 2.37 2.36 0.00 18 G 8.22 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 19 I 8.35 3.76 1.89 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 1.54 0.70 0.92 0.00 0.00 20 L 8.01 4.01 0.00 1.80 1.67 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.23 4.23 0.00 3.11 3.32 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 22 T 8.50 3.81 4.51 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 1.23 0.00 0.00 23 T 8.46 3.86 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 1.17 0.00 0.00 24 L 7.52 4.10 0.00 1.92 1.49 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.13 3.95 0.00 2.11 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 2.34 2.26 0.00 26 K 8.35 4.19 0.00 2.07 2.25 0.00 1.23 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.58 7.81 27 L 7.46 4.03 0.00 2.09 1.78 0.74 0.74 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 28 V 8.22 3.55 2.27 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 0.85 0.00 0.00 0.94 0.00 0.00 29 A 8.56 4.02 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 30 W 7.99 4.19 0.00 3.50 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 31 G 8.19 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 32 R 8.77 4.34 0.00 1.92 2.07 0.00 3.50 0.00 0.00 3.38 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.60 0.00 33 S 7.95 3.94 0.00 3.74 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 34 N 8.19 4.74 0.00 2.57 2.73 0.00 0.00 6.99 7.12 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 35 S 7.40 4.68 0.00 3.98 4.03 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 36 L 7.81 4.74 0.00 1.65 1.66 0.66 0.59 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 37 W 9.93 5.38 0.00 3.28 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 38 P 0.00 4.48 0.00 1.77 1.96 0.00 3.51 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 1.99 2.12 0.00 39 A 8.47 4.55 1.21 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 0.00 0.00 40 T 7.98 4.03 4.22 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 1.17 0.00 0.00 41 F 9.19 5.21 0.00 2.97 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 42 G 7.99 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 43 L 8.97 4.49 0.00 1.29 1.28 0.77 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.24 4.61 1.07 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 0.00 0.00 45 C 8.96 4.02 0.00 3.11 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 46 C 8.36 3.97 0.00 3.01 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 47 A 7.58 3.94 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 48 I 7.76 3.86 2.00 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 1.39 0.81 0.90 0.00 0.00 49 E 8.10 4.16 0.00 1.90 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 2.29 2.35 0.00 50 M 7.96 4.34 0.00 2.36 2.27 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.52 0.00 51 M 7.85 4.21 0.00 2.12 2.29 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 2.89 2.46 0.00 52 A 7.90 4.49 1.26 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 0.00 0.00 53 S 7.58 4.64 0.00 3.96 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 54 T 7.33 4.27 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 1.17 0.00 0.00 55 D 7.65 4.63 0.00 2.59 2.60 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 56 A 7.97 4.54 1.25 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 *74 Q 8.30 4.20 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 75 A 8.28 5.04 1.26 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 0.00 0.00 76 D 8.15 4.89 0.00 3.13 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 77 V 8.43 3.84 2.24 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 1.04 0.00 0.00 1.20 0.00 0.00 78 M 8.74 4.94 0.00 2.30 2.27 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 2.69 2.81 0.00 79 I 7.99 4.71 1.90 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 1.14 0.59 0.93 0.00 0.00 80 V 8.65 4.51 2.11 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 0.94 0.00 0.00 1.03 0.00 0.00 81 A 9.55 4.80 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 82 G 8.09 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 83 R 7.79 3.92 0.00 1.63 1.77 0.00 2.41 0.00 0.00 2.88 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 84 L 8.49 4.22 0.00 1.69 1.59 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.31 4.52 0.00 3.84 3.66 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 0.00 0.00 0.00 0.00 86 K 8.29 4.02 0.00 1.74 1.85 0.00 1.91 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.40 7.81 87 K 7.89 4.09 0.00 1.74 1.82 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.50 7.81 88 M 8.01 4.21 0.00 2.29 2.02 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.63 0.00 89 A 8.16 3.80 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 90 P 0.00 4.21 0.00 2.29 2.37 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.07 0.00 91 V 7.86 3.50 2.40 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 1.03 0.00 0.00 0.97 0.00 0.00 92 M 8.23 3.72 0.00 2.19 2.62 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.68 0.00 93 R 8.01 3.93 0.00 1.99 2.07 0.00 3.44 0.00 0.00 3.27 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 94 R 8.33 3.74 0.00 2.04 2.00 0.00 3.19 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 95 V 7.58 3.63 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 0.56 0.00 0.00 0.76 0.00 0.00 96 W 8.94 4.27 0.00 3.41 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 97 E 8.55 3.63 0.00 2.06 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 2.63 2.80 0.00 98 Q 7.52 4.24 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 99 M 7.10 4.79 0.00 1.79 1.64 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.35 0.00 100 P 0.00 4.27 0.00 2.10 2.00 0.00 3.80 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 101 D 8.58 4.24 0.00 2.52 2.61 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 0.00 102 P 0.00 4.17 0.00 2.01 1.91 0.00 3.57 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 103 K 6.79 4.58 0.00 1.61 1.67 0.00 0.86 0.00 0.00 1.20 0.00 0.00 2.19 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 1.27 7.81 104 W 8.52 5.49 0.00 3.40 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 0.00 105 V 9.10 5.00 2.26 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 0.81 0.00 0.00 1.06 0.00 0.00 106 I 8.52 4.98 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 1.28 0.92 0.94 0.00 0.00 107 S 8.76 4.87 0.00 3.92 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 0.00 108 M 9.35 4.40 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 109 G 8.98 3.84 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 0.00 0.00 0.00 110 A 8.84 3.73 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 0.00 111 C 8.31 3.67 0.00 3.03 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 0.00 112 A 7.96 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 0.00 113 S 7.75 4.18 0.00 4.07 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 0.00 114 S 7.72 5.05 0.00 4.02 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 0.00 115 G 8.04 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 0.00 116 G 8.45 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 0.00 117 M 8.30 4.30 0.00 1.79 1.79 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.81 0.00 118 F 7.73 4.59 0.00 3.02 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 0.00 119 N 8.32 4.71 0.00 2.71 2.83 0.00 0.00 7.03 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 0.00 120 N 8.22 4.71 0.00 2.96 3.01 0.00 0.00 5.89 7.57 0.00 0.00 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 Y 9.39 4.14 0.00 3.16 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 0.00 122 A 6.82 3.61 0.68 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 0.00 0.00 123 I 6.81 4.62 1.83 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.48 0.91 0.00 0.00 124 V 7.79 3.86 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 0.75 0.00 0.00 0.97 0.00 0.00 125 Q 8.67 4.08 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.64 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 126 N 7.98 5.27 0.00 2.69 2.66 0.00 0.00 7.27 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 0.00 127 V 8.65 3.47 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 0.92 0.00 0.00 1.01 0.00 0.00 128 D 8.77 4.89 0.00 2.80 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 0.00 129 S 8.45 4.47 0.00 3.90 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 0.00 130 V 7.98 4.12 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 0.67 0.00 0.00 0.90 0.00 0.00 131 V 7.05 3.27 0.88 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 0.61 0.00 0.00 0.71 0.00 0.00 132 P 0.00 4.40 0.00 2.01 1.98 0.00 2.68 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 133 V 9.07 4.21 1.51 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 0.12 0.00 0.00 0.83 0.00 0.00 134 D 8.98 4.83 0.00 2.79 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 0.00 135 V 7.31 4.43 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 1.11 0.00 0.00 0.91 0.00 0.00 136 Y 9.15 5.31 0.00 2.85 2.86 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 0.00 137 V 8.72 4.49 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 0.99 0.00 0.00 0.99 0.00 0.00 138 P 0.00 4.88 0.00 2.09 2.18 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 139 G 7.50 4.09 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 0.00 0.00 0.00 140 C 7.77 5.46 0.00 2.92 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 0.00 141 P 0.00 4.83 0.00 2.21 2.02 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 142 P 0.00 4.35 0.00 2.21 2.20 0.00 3.81 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 1.99 2.00 0.00 143 R 8.59 3.92 0.00 1.88 2.16 0.00 3.14 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 144 P 0.00 4.22 0.00 2.15 2.12 0.00 3.62 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.39 0.00 145 E 8.42 3.99 0.00 2.04 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 2.41 2.48 0.00 146 A 8.19 3.98 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 0.00 147 L 8.29 3.97 0.00 1.67 1.92 0.92 0.99 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 0.00 148 I 7.73 3.64 2.07 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 1.53 0.29 0.93 0.00 0.00 149 Y 8.35 4.07 0.00 3.02 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 0.00 150 A 7.89 4.03 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 0.00 151 V 7.73 3.56 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 0.88 0.00 0.00 0.97 0.00 0.00 152 M 7.85 4.18 0.00 1.82 1.96 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.44 0.00 153 Q 7.53 3.64 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 154 L 7.49 3.76 0.00 1.72 1.62 0.53 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 155 Q 9.03 3.63 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.63 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 156 K 8.88 3.99 0.00 1.61 1.71 0.00 1.57 0.00 0.00 1.45 0.00 0.00 2.70 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.30 1.48 7.81 157 K 7.37 4.09 0.00 1.81 1.86 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.44 0.00 0.00 0.00 0.00 1.41 1.49 7.81 158 V 7.76 3.74 1.85 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 -0.28 0.00 0.00 0.70 0.00 0.00 159 R 7.35 4.10 0.00 1.79 2.03 0.00 2.99 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 160 G 8.05 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 0.00 0.00 0.00 161 Q 7.33 4.32 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 162 A 7.56 4.26 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 0.00 163 Y 7.08 4.78 0.00 3.43 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 0.00 164 N 8.86 4.84 0.00 2.70 2.86 0.00 0.00 6.99 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 0.00 165 E 8.40 3.81 0.00 2.01 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 2.39 2.26 0.00 166 R 9.00 3.83 0.00 1.83 1.99 0.00 3.42 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 167 G 8.97 4.09 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 0.00 0.00 0.00 168 E 7.71 4.38 0.00 2.02 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 0.00 2.28 2.34 0.00 169 R 8.30 4.23 0.00 1.76 1.90 0.00 3.42 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.49 0.00 170 L 8.60 4.60 0.00 1.91 1.68 1.08 1.17 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 0.00 171 P 0.00 4.58 0.00 2.25 2.12 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 172 P 0.00 4.76 0.00 2.27 2.42 0.00 3.74 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 2.09 2.19 0.00 173 V 7.62 4.44 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 0.58 0.00 0.00 0.94 0.00 0.00 174 A 8.84 4.44 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 0.00 175 A 8.75 4.15 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 * Residues marked with a * may have inaccurate shift predictions.