NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 P 4.4255 0.0000 0.0000 61.3917 32.8489 175.5975 15 P 4.2669 0.0000 0.0000 61.2716 31.8987 171.1689 16 V 3.3850 8.5234 120.7718 63.3237 32.8774 176.5221 17 H 4.2851 8.7080 126.9944 55.3588 30.3566 174.1677 18 P 4.4379 0.0000 0.0000 65.4529 31.1679 178.5351 19 F 4.3742 8.6793 115.8404 59.9368 39.2516 176.9564 20 V 3.8267 8.0994 116.8821 64.1508 31.4880 177.4345 21 A 4.0002 8.1873 120.7897 54.8395 17.8827 177.0992 22 P 4.4849 0.0000 0.0000 64.3790 31.7710 176.6711 23 L 4.1293 7.6141 119.2375 54.2578 42.3189 178.3399 24 S 3.9991 7.9450 117.3315 61.2471 62.8418 176.1856 25 Y 4.3303 7.7878 118.0169 59.4174 37.8220 177.2994 26 L 4.2440 6.9912 120.4238 56.8866 41.8280 177.3477 27 L 4.3326 7.8244 119.3772 54.3019 41.5777 177.3039 28 G 3.9457 7.5044 111.6091 45.5473 0.0000 170.5283 29 T 4.7344 7.2898 115.1378 61.9469 71.8631 173.9975 30 W 5.6496 8.7102 121.3389 55.7437 34.3829 174.0951 31 R 5.2100 9.2980 123.3462 55.4521 33.4999 174.2596 32 G 5.0273 9.1621 112.0082 45.8422 0.0000 171.1596 33 Q 4.8458 8.7083 116.5511 54.3447 32.4690 174.5363 34 G 3.1764 8.1171 107.0823 44.3949 0.0000 170.9048 35 E 4.8989 8.7092 118.0776 54.3588 33.9403 175.3195 36 G 4.0166 7.7396 111.0761 44.4131 0.0000 171.7920 37 E 5.3304 8.8848 117.2627 56.0460 33.2957 174.0373 38 Y 4.7916 8.4290 120.5913 56.3651 42.4680 173.0610 39 P 4.1966 0.0000 0.0000 65.9811 31.3891 178.1388 40 T 4.1853 8.0082 105.8529 63.0933 69.3075 174.3806 41 I 4.6187 8.0031 116.9573 58.1614 40.3565 172.7219 42 P 4.3727 0.0000 0.0000 62.8368 31.3892 175.9117 43 S 4.8835 8.6126 115.3747 58.8896 63.6817 173.0458 44 F 5.1993 9.3590 117.3703 55.4924 41.8751 173.2619 45 R 5.1398 8.7556 117.2355 54.6419 33.3055 174.8019 46 Y 4.8553 8.4853 119.0917 55.5494 42.0113 174.1873 47 G 3.6028 8.4284 108.0804 45.0507 0.0000 172.3690 48 E 5.0490 8.1381 121.4551 54.3172 33.8617 173.5027 49 E 5.4822 9.8358 126.4771 54.6890 33.5008 174.3816 50 I 5.1634 8.8735 125.6306 59.5592 42.0030 174.2936 51 R 5.0571 8.8240 125.5660 54.7483 33.3968 173.6066 52 F 5.9880 9.0243 125.4644 55.3071 41.3614 175.2457 53 S 5.2924 8.5691 117.0379 57.5755 67.0203 171.8357 54 H 5.3079 8.5214 114.1946 54.2568 31.3183 173.3004 55 S 4.5561 8.8916 111.4123 57.9930 63.5346 174.3576 56 G 3.9937 8.9384 107.5844 46.1482 0.0000 173.1686 57 K 4.6879 7.7599 118.5455 53.7311 35.5553 173.7696 58 P 4.7967 0.0000 0.0000 62.9079 31.7501 175.3832 59 V 4.8981 7.4814 116.3090 62.5824 35.3159 173.9133 60 I 4.8650 8.8408 125.8810 59.4665 40.3583 174.7453 61 A 4.7817 9.2724 128.8475 51.5733 20.4044 175.4530 62 Y 5.0538 8.5640 122.4757 55.8926 41.7497 174.6479 63 T 4.5620 7.8735 115.1878 60.3105 72.8184 172.3911 64 Q 5.4035 8.4383 121.4159 56.5485 33.1124 172.7159 65 K 5.1814 8.4332 122.2925 56.0644 36.2723 174.3284 66 T 5.0811 8.4100 110.8346 60.2054 72.0849 172.7499 67 W 5.1526 7.7199 117.5069 55.0536 32.1706 173.9013 68 K 4.2673 9.1366 121.8944 56.8312 31.8075 177.7418 69 L 4.1065 9.1271 126.0477 58.0658 41.8187 179.4996 70 E 4.1603 8.2951 114.6487 58.3795 29.9857 177.5277 71 S 4.4410 7.6053 109.4349 57.4889 63.9700 175.4560 72 G 3.9613 8.9851 108.4082 45.3280 0.0000 173.5285 73 A 4.1462 7.7039 123.0675 51.5462 19.1538 176.0823 74 P 4.7125 0.0000 0.0000 63.4326 32.8564 175.1180 *76 H 4.7115 8.3746 116.3910 56.9325 30.6384 171.8890 77 A 4.9333 8.2338 117.0151 52.1545 22.3421 175.3159 78 E 5.0583 9.0691 117.2479 55.6938 33.5169 174.0648 79 S 4.4512 8.1755 113.3376 57.7503 66.7516 174.0672 80 G 4.2203 8.0491 106.4906 46.9568 0.0000 171.3139 81 Y 5.5838 9.0261 117.8761 56.6575 42.9154 174.3117 82 F 5.1031 9.4423 122.3159 55.5326 41.6252 175.7369 83 R 5.4020 8.7388 121.7335 54.1112 29.6538 173.1866 84 P 4.8750 0.0000 0.0000 62.2099 33.3747 176.5924 85 R 4.4352 8.6823 119.1241 53.3870 33.3339 174.8936 86 P 4.4410 0.0000 0.0000 64.3635 31.2200 176.6886 87 D 4.4395 7.6516 117.8522 53.3451 40.2857 176.4902 88 G 3.6781 7.7766 108.9569 45.5646 0.0000 174.3523 89 S 5.0060 8.5425 114.9319 58.3111 65.1019 173.0946 90 I 4.9789 8.1709 118.3619 60.0663 41.7443 172.7734 91 E 5.1764 8.8059 125.3318 54.4756 33.1032 174.7035 92 V 4.7169 8.8797 121.8376 61.3109 34.5165 174.3699 93 V 4.9308 8.8998 121.7275 59.9332 34.3395 175.1228 94 I 5.0226 8.5388 123.5275 59.9008 41.6311 173.7262 95 A 5.1878 8.6536 127.6016 50.4121 21.8987 175.6037 96 Q 4.6389 9.1526 120.2292 53.8526 31.5187 177.2977 97 S 4.1224 8.8498 116.9969 61.7166 63.0443 175.9276 98 T 3.9305 7.7800 108.8918 62.7715 68.4844 174.5347 99 G 3.9299 8.3507 110.8229 45.6502 0.0000 172.9371 100 L 5.0655 7.7767 117.8244 52.6921 45.7774 175.6970 101 V 5.0985 8.4033 112.1775 59.8788 36.5280 174.5923 102 E 5.0624 9.3865 121.4901 54.6892 33.4357 174.2186 103 V 4.5663 8.5748 122.6090 61.4841 33.6964 174.1969 104 Q 5.1148 8.9974 127.2322 54.0714 31.4973 174.8741 105 K 4.9425 9.1653 122.8161 53.8988 36.3825 176.0036 106 G 4.4762 8.2589 112.8592 46.6058 0.0000 172.6187 107 T 5.7578 8.8129 114.3295 58.7836 72.5323 172.8262 108 Y 5.3538 8.1677 119.6068 55.2530 41.0960 174.1140 109 N 4.7907 9.0431 120.3373 51.8851 41.5073 175.2776 110 V 3.7990 8.6672 126.6159 66.0708 32.1001 177.7408 111 D 4.4222 8.1812 118.4497 56.7886 40.8201 176.8174 112 E 4.2256 8.8130 116.7819 55.8142 30.5761 175.7361 113 Q 3.2262 7.7702 117.9041 57.1143 26.9484 172.4485 114 S 5.4047 7.8192 110.4049 56.8776 67.6490 174.0463 115 I 5.3269 9.0887 120.3877 59.8933 41.8253 174.4908 116 K 4.9167 9.4655 125.5133 54.6613 35.7095 175.2333 117 L 5.2528 8.9307 124.5852 52.7416 45.4701 175.5814 118 K 5.0548 9.0338 123.5341 54.4030 35.8698 175.4226 119 S 4.7781 8.4234 120.2208 58.5392 63.4609 173.8300 120 D 4.6160 8.7825 121.8214 55.9295 41.8278 177.0437 121 L 4.6327 7.4574 119.5904 53.5681 45.8576 175.2266 122 V 4.7833 8.4937 125.1750 61.1288 32.9971 174.4452 123 G 3.9419 9.1137 114.8055 44.8517 0.0000 170.5587 124 N 4.3394 8.6528 116.7809 54.5238 37.2889 173.7042 125 A 4.7798 7.8011 118.1577 49.6773 21.5795 177.3429 126 S 4.3334 8.7970 117.5922 61.3585 63.1829 176.8732 127 K 4.6544 7.6689 118.7971 55.5514 34.6078 175.0518 128 V 4.0966 7.9577 120.1222 62.3913 32.0050 174.4904 129 K 4.4097 9.2187 126.8963 56.7903 32.7278 176.2379 130 E 4.8671 9.1618 120.2265 54.7174 33.3824 175.0800 131 I 4.8283 8.5612 120.7088 59.8607 41.8479 174.5555 132 S 5.1321 9.3765 122.4473 56.8696 65.5649 173.4081 133 R 4.6161 8.8790 123.0806 54.5209 33.4560 174.0908 134 E 5.2698 8.6528 123.6454 54.4594 32.8824 175.4852 135 F 5.5245 9.2728 121.9141 56.1420 43.6100 173.5769 136 E 5.2413 9.0737 120.0677 55.1699 33.5224 173.7213 137 L 4.8389 8.9234 129.0576 54.6559 43.2735 176.6593 138 V 4.1687 9.2196 120.0148 60.2298 34.2665 175.2109 139 D 4.5042 9.8895 127.3181 55.2547 39.3352 174.3955 140 G 4.0872 8.4180 104.5067 45.2682 0.0000 173.1985 141 K 5.0627 7.9676 119.3664 54.6813 34.9858 175.1697 142 L 4.8318 9.6360 126.9194 53.7035 43.6082 175.1118 143 S 5.2517 8.7445 121.8143 57.1043 65.2887 172.1492 144 Y 5.2213 8.2140 121.8037 55.9486 41.9211 173.4864 145 V 4.9197 8.7362 119.0688 61.1125 35.7665 174.5160 146 V 4.5186 8.7018 125.3637 61.5391 34.1578 174.9716 147 R 5.3138 8.7971 127.3197 53.7569 33.3336 175.4343 *149 S 4.8463 8.2898 113.6997 58.8092 64.9576 172.7516 150 T 5.0540 8.9405 111.0703 59.8508 72.0630 174.3250 151 T 4.1238 8.3188 117.9620 66.5663 68.4365 175.5279 152 T 4.5554 7.7947 106.4996 60.7415 70.5347 173.4099 153 N 4.8305 8.0284 120.8188 51.1257 40.0930 172.9573 154 P 4.7623 0.0000 0.0000 61.3411 32.7174 175.6633 155 L 4.1127 8.3079 121.3267 55.9137 42.3231 176.2140 156 Q 4.6042 8.3565 121.2191 54.4469 30.9435 171.5400 157 P 4.4751 0.0000 0.0000 63.6068 31.9664 175.3038 158 H 5.7759 9.7103 122.7206 56.4821 32.2025 174.1183 159 L 5.4866 7.8749 116.9135 52.6922 45.6644 175.8162 160 K 4.9358 9.0011 120.8311 55.3318 35.9878 175.0079 161 A 4.8855 7.8189 124.4389 49.8436 23.3724 174.6758 162 I 4.8150 8.0658 120.0448 59.4923 40.5676 174.7131 163 L 5.2346 10.6510 126.0734 53.1265 45.3382 175.0674 164 D 5.4667 8.7011 120.2126 52.3123 44.0890 175.6753 165 K 3.3338 8.4361 123.7301 55.8605 32.9626 176.7477 166 L 4.1474 8.0992 126.3728 55.0459 41.6158 176.6085 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 14 P 0.00 4.43 0.00 2.10 2.09 0.00 3.61 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 2.02 2.08 0.00 15 P 0.00 4.27 0.00 2.27 2.06 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 16 V 8.52 3.38 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 0.70 0.00 0.00 0.86 0.00 0.00 17 H 8.71 4.29 0.00 3.25 3.16 0.00 5.74 0.00 0.00 0.00 0.00 6.79 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 4.44 0.00 2.24 2.19 0.00 3.52 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.19 0.00 19 F 8.68 4.37 0.00 2.97 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 20 V 8.10 3.83 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 0.92 0.00 0.00 1.01 0.00 0.00 21 A 8.19 4.00 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 22 P 0.00 4.48 0.00 2.30 2.38 0.00 3.57 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 1.84 2.16 0.00 23 L 7.61 4.13 0.00 1.43 1.06 0.61 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.94 4.00 0.00 4.00 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 25 Y 7.79 4.33 0.00 3.19 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 6.99 4.24 0.00 1.02 0.75 -0.50 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.82 4.33 0.00 1.78 1.70 0.90 1.02 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 28 G 7.50 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 0.00 0.00 0.00 29 T 7.29 4.73 4.17 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 0.00 0.00 1.24 0.00 0.00 30 W 8.71 5.65 0.00 3.51 3.24 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 31 R 9.30 5.21 0.00 2.03 1.86 0.00 3.22 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.17 0.00 32 G 9.16 5.03 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 0.00 0.00 0.00 33 Q 8.71 4.85 0.00 1.87 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 34 G 8.12 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 0.00 0.00 0.00 35 E 8.71 4.90 0.00 1.69 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 2.07 2.02 0.00 36 G 7.74 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 37 E 8.88 5.33 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 38 Y 8.43 4.79 0.00 2.98 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 39 P 0.00 4.20 0.00 1.92 1.99 0.00 2.20 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.82 0.00 40 T 8.01 4.19 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 41 I 8.00 4.62 1.93 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.32 0.95 0.00 0.00 42 P 0.00 4.37 0.00 2.26 2.18 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 43 S 8.61 4.88 0.00 4.01 3.96 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 0.00 0.00 0.00 44 F 9.36 5.20 0.00 3.10 3.17 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 0.00 0.00 0.00 45 R 8.76 5.14 0.00 1.66 1.72 0.00 3.13 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.54 0.00 46 Y 8.49 4.86 0.00 2.77 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 G 8.43 3.60 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 0.00 48 E 8.14 5.05 0.00 2.19 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 2.40 2.56 0.00 49 E 9.84 5.48 0.00 2.49 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 2.32 2.61 0.00 50 I 8.87 5.16 1.96 0.00 0.00 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 1.24 1.20 0.60 0.00 0.00 51 R 8.82 5.06 0.00 1.79 1.63 0.00 3.05 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 52 F 9.02 5.99 0.00 3.17 2.78 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 53 S 8.57 5.29 0.00 3.85 3.96 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 0.00 0.00 0.00 54 H 8.52 5.31 0.00 3.15 3.32 0.00 5.66 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 55 S 8.89 4.56 0.00 3.95 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 56 G 8.94 3.99 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 0.00 0.00 0.00 57 K 7.76 4.69 0.00 1.70 1.68 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.30 7.81 58 P 0.00 4.80 0.00 2.24 1.59 0.00 3.58 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.68 0.00 59 V 7.48 4.90 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 0.99 0.00 0.00 0.93 0.00 0.00 60 I 8.84 4.86 1.90 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.58 1.03 0.00 0.00 61 A 9.27 4.78 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 62 Y 8.56 5.05 0.00 3.00 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 63 T 7.87 4.56 4.04 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 1.04 0.00 0.00 64 Q 8.44 5.40 0.00 1.41 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 65 K 8.43 5.18 0.00 2.07 1.91 0.00 1.61 0.00 0.00 1.92 0.00 0.00 2.93 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.58 1.91 7.81 66 T 8.41 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 1.15 0.00 0.00 67 W 7.72 5.15 0.00 3.64 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 68 K 9.14 4.27 0.00 1.85 2.06 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.50 7.81 69 L 9.13 4.11 0.00 1.75 1.80 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.30 4.16 0.00 2.12 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 0.00 2.33 2.28 0.00 71 S 7.61 4.44 0.00 4.11 4.08 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 0.00 0.00 0.00 72 G 8.99 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.70 4.15 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 74 P 0.00 4.71 0.00 1.99 2.09 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 *76 H 8.37 4.71 0.00 3.09 3.28 0.00 5.65 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 77 A 8.23 4.93 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 78 E 9.07 5.06 0.00 2.13 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 2.29 0.00 79 S 8.18 4.45 0.00 3.75 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 80 G 8.05 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 0.00 0.00 0.00 0.00 81 Y 9.03 5.58 0.00 2.94 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 82 F 9.44 5.10 0.00 2.95 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 83 R 8.74 5.40 0.00 1.94 1.88 0.00 3.16 0.00 0.00 3.28 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 84 P 0.00 4.88 0.00 1.88 1.93 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.81 0.00 85 R 8.68 4.44 0.00 1.80 1.63 0.00 3.22 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 86 P 0.00 4.44 0.00 2.04 2.00 0.00 2.94 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.36 0.00 87 D 7.65 4.44 0.00 2.75 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 88 G 7.78 3.68 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 0.00 89 S 8.54 5.01 0.00 3.90 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 90 I 8.17 4.98 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.32 1.04 0.00 0.00 91 E 8.81 5.18 0.00 1.99 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 2.20 2.23 0.00 92 V 8.88 4.72 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 0.36 0.00 0.00 0.10 0.00 0.00 93 V 8.90 4.93 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 0.71 0.00 0.00 1.12 0.00 0.00 94 I 8.54 5.02 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.86 1.04 0.00 0.00 95 A 8.65 5.19 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 96 Q 9.15 4.64 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 97 S 8.85 4.12 0.00 3.99 4.08 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 0.00 0.00 0.00 98 T 7.78 3.93 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 1.16 0.00 0.00 99 G 8.35 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 0.00 100 L 7.78 5.07 0.00 1.79 1.54 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.40 5.10 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 0.76 0.00 0.00 0.94 0.00 0.00 102 E 9.39 5.06 0.00 2.03 1.97 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 2.18 2.21 0.00 103 V 8.57 4.57 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 0.95 0.00 0.00 0.94 0.00 0.00 104 Q 9.00 5.11 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.52 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 105 K 9.17 4.94 0.00 1.62 1.63 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.33 1.34 7.81 106 G 8.26 4.48 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 0.00 107 T 8.81 5.76 4.17 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 0.00 0.00 1.17 0.00 0.00 108 Y 8.17 5.35 0.00 3.01 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 0.00 109 N 9.04 4.79 0.00 2.76 2.71 0.00 0.00 6.73 6.99 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 0.00 110 V 8.67 3.80 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 1.02 0.00 0.00 1.16 0.00 0.00 111 D 8.18 4.42 0.00 2.71 2.71 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 0.00 112 E 8.81 4.23 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 113 Q 7.77 3.23 0.00 1.98 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.64 0.00 0.00 0.00 0.00 0.00 1.83 2.19 0.00 114 S 7.82 5.40 0.00 3.95 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 0.00 115 I 9.09 5.33 2.19 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.91 1.05 0.00 0.00 116 K 9.47 4.92 0.00 1.66 1.68 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.43 7.81 117 L 8.93 5.25 0.00 1.67 1.71 0.79 0.23 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 0.00 118 K 9.03 5.05 0.00 1.75 1.58 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.34 7.81 119 S 8.42 4.78 0.00 3.92 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.78 4.62 0.00 2.66 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 0.00 121 L 7.46 4.63 0.00 1.67 1.44 0.92 0.83 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 0.00 122 V 8.49 4.78 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 0.83 0.00 0.00 0.96 0.00 0.00 123 G 9.11 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 N 8.65 4.34 0.00 2.84 3.07 0.00 0.00 6.83 7.96 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 0.00 125 A 7.80 4.78 1.20 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 0.00 0.00 126 S 8.80 4.33 0.00 3.97 4.01 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 0.00 127 K 7.67 4.65 0.00 1.67 1.77 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.43 7.81 128 V 7.96 4.10 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 0.71 0.00 0.00 0.85 0.00 0.00 129 K 9.22 4.41 0.00 1.65 1.74 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.55 7.81 130 E 9.16 4.87 0.00 1.75 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 2.29 0.00 131 I 8.56 4.83 1.85 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 1.19 1.02 0.95 0.00 0.00 132 S 9.38 5.13 0.00 3.70 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.88 4.62 0.00 1.69 1.55 0.00 3.03 0.00 0.00 3.05 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.50 0.00 134 E 8.65 5.27 0.00 1.88 1.81 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 2.20 2.21 0.00 135 F 9.27 5.52 0.00 3.05 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 0.00 136 E 9.07 5.24 0.00 2.07 1.77 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 2.21 2.33 0.00 137 L 8.92 4.84 0.00 1.34 1.48 1.19 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 138 V 9.22 4.17 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 0.00 139 D 9.89 4.50 0.00 2.74 2.69 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 0.00 140 G 8.42 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 0.00 141 K 7.97 5.06 0.00 2.00 1.81 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.67 1.61 7.81 142 L 9.64 4.83 0.00 0.38 0.95 0.89 0.28 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 0.00 143 S 8.74 5.25 0.00 3.91 3.68 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 0.00 144 Y 8.21 5.22 0.00 2.51 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 0.00 145 V 8.74 4.92 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 0.97 0.00 0.00 0.88 0.00 0.00 146 V 8.70 4.52 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 0.72 0.00 0.00 0.88 0.00 0.00 147 R 8.80 5.31 0.00 1.83 1.87 0.00 3.22 0.00 0.00 3.33 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.40 0.00 *149 S 8.29 4.85 0.00 3.97 4.08 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 0.00 0.00 0.00 150 T 8.94 5.05 4.38 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 1.26 0.00 0.00 151 T 8.32 4.12 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 1.22 0.00 0.00 152 T 7.79 4.56 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 1.22 0.00 0.00 153 N 8.03 4.83 0.00 3.03 2.59 0.00 0.00 6.61 7.49 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 0.00 154 P 0.00 4.76 0.00 2.18 2.04 0.00 3.73 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 155 L 8.31 4.11 0.00 1.64 1.67 0.95 0.69 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 0.00 156 Q 8.36 4.60 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 157 P 0.00 4.48 0.00 2.09 2.07 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 158 H 9.71 5.78 0.00 3.17 3.29 0.00 5.76 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 L 7.87 5.49 0.00 1.78 1.76 0.88 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 160 K 9.00 4.94 0.00 1.58 1.74 0.00 1.18 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.22 1.23 7.81 161 A 7.82 4.89 0.64 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 0.00 162 I 8.07 4.82 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.89 0.92 0.00 0.00 163 L 10.65 5.23 0.00 1.77 1.93 1.19 1.15 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 0.00 164 D 8.70 5.47 0.00 2.83 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 0.00 165 K 8.44 3.33 0.00 0.81 1.31 0.00 1.30 0.00 0.00 1.43 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.95 0.42 7.81 166 L 8.10 4.15 0.00 1.59 1.51 0.93 0.74 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 * Residues marked with a * may have inaccurate shift predictions.