NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3034 8.4444 118.7950 54.7679 30.2334 173.9494 2 L 4.1700 7.2780 121.6647 54.6855 45.3766 173.0806 3 C 4.5803 8.9619 124.0204 56.0732 41.8038 172.5657 4 D 4.3904 8.6629 125.7078 56.8103 41.2436 176.9483 5 D 5.0400 7.7994 118.9307 51.7364 42.0547 174.0305 6 D 5.2394 8.2973 117.5058 50.6993 42.3880 173.2812 7 P 3.0432 0.0000 0.0000 61.5652 31.4673 174.9589 8 P 4.3344 0.0000 0.0000 62.3710 31.9081 176.1620 9 E 4.3506 8.5841 121.2073 55.9308 29.5591 176.2072 10 I 4.2586 8.3191 125.1359 58.6015 38.6109 173.4717 11 P 4.3524 0.0000 0.0000 64.5790 31.8282 175.7686 12 H 3.7526 9.3646 120.0203 56.0091 25.5398 173.9375 13 A 5.0690 7.5182 117.0856 51.1717 22.8188 176.7251 14 T 4.8421 8.4295 110.3410 59.6396 72.6859 172.6396 15 F 5.6244 7.5462 115.6525 53.8505 40.6093 174.1511 16 K 4.7964 8.6293 119.3368 54.5530 36.5407 174.2574 17 A 4.8113 8.1644 122.4402 50.4851 20.3793 177.1255 18 M 4.0342 8.6664 121.2164 57.5505 32.5398 176.3180 19 A 4.7296 7.2527 117.5924 50.2904 23.0921 175.1742 20 Y 4.7629 8.5378 116.3852 55.8045 40.6145 175.7592 21 K 3.9913 9.0097 124.7686 56.2181 33.3882 176.8101 22 E 3.9037 8.5777 121.6402 58.1888 29.7512 177.4275 23 G 3.9544 9.1940 110.5896 45.1279 0.0000 173.5989 24 T 4.4880 7.5601 114.2369 62.3171 68.7503 172.9976 25 M 5.3878 9.1377 127.1237 53.4952 35.7051 174.3685 26 L 4.8348 8.6294 124.0163 53.0620 44.8646 175.7968 27 N 4.9080 8.5360 123.6732 53.1356 39.3541 175.0810 28 C 4.4913 7.8833 119.7608 55.9238 37.8160 174.1085 29 E 4.3542 8.1307 118.7106 56.3595 30.4676 177.4845 30 C 5.3358 8.2895 117.9446 53.6975 39.3641 173.6785 31 K 4.3034 8.1773 121.3840 55.9938 32.4645 176.3143 32 R 4.1402 8.3217 122.1385 57.8525 30.5961 177.6548 33 G 3.7490 9.0598 109.1531 45.1619 0.0000 172.4413 34 F 5.4964 7.7450 116.9620 55.6823 42.7903 174.6454 35 R 4.9209 9.1499 115.8434 54.4052 32.8902 174.8389 36 R 5.1101 8.5901 118.0339 55.8270 30.4286 176.3473 37 I 3.8359 8.4885 121.8876 61.4669 38.4892 175.6271 38 K 4.0666 8.6678 124.3829 58.2522 32.2638 176.9814 39 S 3.7454 8.6824 118.6547 59.6045 60.5492 172.6322 40 G 3.9654 7.5429 111.0614 44.9206 0.0000 173.8905 41 S 4.5716 8.1108 115.1489 57.1125 64.8401 174.2155 42 L 4.3762 7.9672 123.2379 57.3444 42.7607 176.0532 43 Y 5.2049 7.0167 113.8289 56.1362 41.4140 174.0119 44 M 4.7422 9.4058 120.1334 53.6842 34.4501 174.9066 45 L 5.2441 8.8386 125.1056 53.7318 45.1807 175.7358 46 C 4.2799 8.6052 126.2513 55.5564 40.9013 171.9619 47 T 4.8941 7.9991 122.9969 61.3606 71.4000 176.2676 48 G 4.3800 8.3102 112.0857 45.3022 0.0000 174.8041 49 S 4.4307 8.3510 112.7290 59.1347 63.1113 174.3751 50 S 4.5379 8.0068 116.0330 58.3766 63.0906 174.8786 51 S 4.3158 8.5133 115.4576 58.3269 62.6971 168.4400 52 H 4.7871 7.3401 118.5131 55.3884 29.4739 173.2004 53 S 4.0501 7.3329 115.8820 58.0503 63.1106 174.5250 54 S 4.9009 9.1024 121.5630 56.4438 66.9603 172.5826 55 W 4.9335 8.5354 120.0261 55.3568 29.9075 176.4506 56 D 4.5801 9.9650 126.9886 56.7100 40.9820 175.8048 57 N 5.1639 8.1601 113.2882 51.3878 42.4850 174.1656 58 Q 4.2420 8.1406 117.3985 54.3397 32.4170 176.1760 59 C 4.0163 7.9417 120.2231 57.3762 41.9098 173.0725 60 Q 4.7163 7.9357 119.5626 54.7589 32.8787 174.3769 61 C 5.7649 8.9503 120.0301 55.5445 44.1688 172.8828 62 T 4.9405 8.9670 111.1775 59.7265 72.6912 172.8196 63 S 4.1446 8.8529 116.3603 57.7324 62.8857 175.0681 64 S 4.0632 7.6797 123.0279 58.7290 59.2508 173.7495 *100 L 4.1263 7.9078 124.2085 53.5737 44.4432 173.0261 101 P 3.9988 0.0000 0.0000 66.4433 31.2584 174.8580 102 G 4.2592 8.8956 115.1434 45.9520 0.0000 172.4440 103 H 5.0613 7.8236 114.8518 53.6743 32.0175 173.4097 104 C 4.7361 8.8052 117.2612 56.2750 41.8897 174.2659 105 R 4.8978 8.6721 121.0759 55.2477 31.3739 175.8571 106 E 4.4444 8.9365 121.3536 56.0089 30.0398 174.6606 107 P 4.4758 0.0000 0.0000 61.3654 32.1534 174.5908 108 P 4.4167 0.0000 0.0000 61.7513 31.9168 174.7527 109 P 4.8499 0.0000 0.0000 62.0527 31.6996 176.2495 110 W 4.7581 8.6042 119.7709 55.3445 30.8525 177.7480 111 E 2.6519 7.4952 113.1394 55.3258 31.4486 177.0493 112 N 4.4766 8.7157 120.7197 51.5644 40.4860 174.2754 113 E 4.1479 7.8114 122.6352 54.1896 31.4403 175.7654 114 A 4.5128 7.8929 123.0019 51.8084 19.4344 178.1103 115 T 3.8902 8.4872 116.2461 66.4041 68.6097 174.9566 116 E 4.4611 7.7902 118.9979 54.7415 30.9823 175.6661 117 R 4.1882 8.2607 122.2451 55.1739 31.6272 175.6888 118 I 4.2976 7.9342 122.8947 60.0397 38.8965 174.2670 119 Y 4.8821 8.4072 124.4161 56.4170 40.8133 174.9972 120 H 4.8307 9.2831 119.2800 54.2664 31.6170 173.0719 121 F 5.5194 8.8367 122.2529 56.3671 41.0159 176.2178 122 V 4.4010 8.5204 115.3556 60.2253 33.5970 176.0430 123 V 3.4350 8.1043 115.6752 62.9870 31.7854 177.1651 124 G 3.8634 9.0267 112.5989 44.9126 0.0000 173.2794 125 Q 4.1833 7.5165 121.5843 55.9590 30.2519 174.2018 126 M 5.2033 8.5064 125.3268 53.8807 34.7118 174.9248 127 V 4.5422 8.8628 124.3862 61.2537 35.6745 173.1893 128 Y 5.2445 9.2965 128.9276 56.1594 40.7897 174.1657 129 Y 4.8662 8.5802 125.2856 57.7425 39.0838 175.2417 130 Q 4.5623 8.4915 118.6441 54.9284 32.2268 173.3793 131 C 4.9681 9.1908 119.6489 56.9024 38.7387 173.6588 132 V 4.2443 8.2631 120.5010 60.3278 33.6231 174.5587 133 Q 4.2114 8.8828 120.1816 58.9640 27.0157 174.6600 134 G 3.2032 7.6841 115.7542 45.4056 0.0000 170.5016 135 Y 4.9140 7.3379 117.3711 56.0087 42.4709 174.6741 136 R 4.4169 9.0819 124.2416 55.3997 31.5312 175.1993 137 A 4.5688 8.6567 128.6174 51.5433 19.8762 176.3503 138 L 4.4849 9.1088 124.8246 53.8093 43.7995 174.5703 139 H 5.1788 8.6111 123.7649 54.6298 30.5413 176.2757 140 R 4.3756 8.8986 119.0744 56.7130 30.5564 175.5081 141 G 4.0082 9.0463 112.1311 44.3979 0.0000 168.8076 142 P 4.0564 0.0000 0.0000 62.8167 31.5162 175.9404 143 A 5.0286 8.8576 123.1804 51.7896 20.0815 175.7454 144 E 5.4471 8.3097 114.9072 56.2058 33.3134 174.5565 145 S 5.0222 9.3978 115.6132 56.6878 65.3463 172.8684 146 V 4.8688 8.4854 125.2514 61.2541 34.8892 173.7850 147 C 4.1324 8.1923 127.3626 55.2645 39.2875 172.2585 148 K 4.7736 8.6673 126.9123 55.1388 34.1433 175.7607 149 M 4.8164 8.4222 123.2145 54.7361 33.2739 175.9288 150 T 4.5307 8.1683 114.2828 59.7068 71.2622 172.8053 151 H 3.9227 8.6107 121.1092 57.7983 28.9981 176.7321 152 G 4.0139 8.7710 114.9939 45.3869 0.0000 171.7278 153 K 4.6741 7.5816 119.7098 54.4945 35.3012 174.3497 154 T 5.1770 8.1623 112.7820 60.1772 71.2621 173.4834 155 R 4.7504 8.3965 118.2847 54.9813 33.3828 173.4246 156 W 5.3393 8.6595 120.7074 55.0111 30.8629 176.2363 157 T 4.1350 8.6482 115.6277 61.7128 69.2198 173.7631 158 Q 4.3064 8.5513 125.5521 54.9812 29.7641 173.6914 159 P 4.3829 0.0000 0.0000 62.7611 32.3767 177.2088 160 Q 4.4478 8.7210 123.8432 54.0916 27.0023 173.9583 161 L 5.0572 7.4419 120.5322 53.5823 46.0447 175.0605 162 I 4.6060 8.7382 126.2882 59.6671 40.7304 173.5834 163 C 5.4091 8.7365 123.1820 55.6718 41.9652 173.3397 164 T 4.8329 8.6927 118.5670 61.6455 72.9813 174.6013 165 G 3.5280 8.8002 111.4558 45.8437 0.0000 173.7747 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 E 8.44 4.30 0.00 2.08 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 2.17 2.24 0.00 2 L 7.28 4.17 0.00 1.63 1.53 0.94 0.71 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 3 C 8.96 4.58 0.00 3.35 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 4 D 8.66 4.39 0.00 2.67 2.74 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 5 D 7.80 5.04 0.00 2.95 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 6 D 8.30 5.24 0.00 2.71 2.79 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 0.00 0.00 0.00 0.00 7 P 0.00 3.04 0.00 0.49 0.82 0.00 3.30 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.44 0.00 8 P 0.00 4.33 0.00 1.93 1.93 0.00 3.58 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.12 0.00 9 E 8.58 4.35 0.00 1.98 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 0.00 2.40 2.38 0.00 10 I 8.32 4.26 1.82 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.85 0.88 0.00 0.00 11 P 0.00 4.35 0.00 2.05 2.05 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 12 H 9.36 3.75 0.00 2.91 2.46 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.52 5.07 1.31 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 0.00 0.00 0.00 14 T 8.43 4.84 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 1.12 0.00 0.00 15 F 7.55 5.62 0.00 2.41 1.55 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 16 K 8.63 4.80 0.00 1.69 1.71 0.00 1.61 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.32 7.81 17 A 8.16 4.81 0.74 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 0.00 0.00 18 M 8.67 4.03 0.00 1.94 2.03 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 2.54 2.50 0.00 19 A 7.25 4.73 1.10 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 0.00 0.00 20 Y 8.54 4.76 0.00 3.07 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 21 K 9.01 3.99 0.00 1.76 1.68 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.69 7.81 22 E 8.58 3.90 0.00 2.12 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 2.21 2.27 0.00 23 G 9.19 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 24 T 7.56 4.49 4.58 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 1.42 0.00 0.00 25 M 9.14 5.39 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.25 0.00 26 L 8.63 4.83 0.00 1.41 1.15 0.16 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.54 4.91 0.00 2.62 2.89 0.00 0.00 7.00 7.61 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 28 C 7.88 4.49 0.00 2.73 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 29 E 8.13 4.35 0.00 2.03 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 2.35 2.28 0.00 30 C 8.29 5.34 0.00 3.06 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 31 K 8.18 4.30 0.00 1.96 1.84 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.63 1.49 7.81 32 R 8.32 4.14 0.00 1.86 1.86 0.00 3.29 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 33 G 9.06 3.75 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 0.00 0.00 0.00 34 F 7.74 5.50 0.00 3.15 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 35 R 9.15 4.92 0.00 1.85 2.00 0.00 2.79 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 36 R 8.59 5.11 0.00 1.79 1.96 0.00 2.77 0.00 0.00 3.86 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 37 I 8.49 3.84 1.84 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 1.36 0.95 0.90 0.00 0.00 38 K 8.67 4.07 0.00 1.73 1.76 0.00 1.90 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.48 7.81 39 S 8.68 3.75 0.00 3.99 3.92 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 0.00 0.00 0.00 40 G 7.54 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 41 S 8.11 4.57 0.00 3.66 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 42 L 7.97 4.38 0.00 1.44 1.79 0.94 0.71 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 43 Y 7.02 5.20 0.00 2.96 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 M 9.41 4.74 0.00 2.03 1.78 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 45 L 8.84 5.24 0.00 2.09 1.67 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 46 C 8.61 4.28 0.00 1.23 2.66 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 47 T 8.00 4.89 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 1.19 0.00 0.00 48 G 8.31 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 0.00 0.00 0.00 0.00 49 S 8.35 4.43 0.00 3.98 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 50 S 8.01 4.54 0.00 3.88 3.92 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 0.00 0.00 0.00 51 S 8.51 4.32 0.00 4.09 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 52 H 7.34 4.79 0.00 3.10 3.20 0.00 5.77 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 53 S 7.33 4.05 0.00 4.02 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 9.10 4.90 0.00 3.69 3.81 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 55 W 8.54 4.93 0.00 3.15 3.09 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 56 D 9.97 4.58 0.00 2.72 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 57 N 8.16 5.16 0.00 2.60 2.60 0.00 0.00 6.66 7.69 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 58 Q 8.14 4.24 0.00 1.90 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.98 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 59 C 7.94 4.02 0.00 1.23 1.76 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 60 Q 7.94 4.72 0.00 1.85 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 61 C 8.95 5.76 0.00 2.76 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 62 T 8.97 4.94 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 1.26 0.00 0.00 63 S 8.85 4.14 0.00 3.90 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 64 S 7.68 4.06 0.00 3.70 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 *100 L 7.91 4.13 0.00 1.78 1.62 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.00 0.00 2.05 2.03 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 102 G 8.90 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 0.00 0.00 0.00 103 H 7.82 5.06 0.00 3.01 3.46 0.00 5.84 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 C 8.81 4.74 0.00 2.70 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 0.00 105 R 8.67 4.90 0.00 1.94 2.09 0.00 3.32 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 106 E 8.94 4.44 0.00 2.16 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 2.43 2.55 0.00 107 P 0.00 4.48 0.00 1.86 1.27 0.00 3.76 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 1.30 0.66 0.00 108 P 0.00 4.42 0.00 2.09 2.02 0.00 3.71 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 2.08 2.17 0.00 109 P 0.00 4.85 0.00 1.93 1.79 0.00 3.70 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 110 W 8.60 4.76 0.00 3.28 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 0.00 111 E 7.50 2.65 0.00 2.00 1.84 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 2.23 2.29 0.00 112 N 8.72 4.48 0.00 2.17 2.16 0.00 0.00 6.76 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 0.00 113 E 7.81 4.15 0.00 1.47 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 1.47 1.47 0.00 114 A 7.89 4.51 1.31 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 0.00 0.00 0.00 115 T 8.49 3.89 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 1.15 0.00 0.00 116 E 7.79 4.46 0.00 1.89 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 2.17 2.25 0.00 117 R 8.26 4.19 0.00 1.69 1.26 0.00 3.18 0.00 0.00 3.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 118 I 7.93 4.30 1.76 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 1.30 1.00 0.79 0.00 0.00 119 Y 8.41 4.88 0.00 2.24 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 0.00 0.00 0.00 0.00 120 H 9.28 4.83 0.00 2.98 3.17 0.00 5.60 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 8.84 5.52 0.00 3.50 3.15 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 0.00 0.00 0.00 0.00 122 V 8.52 4.40 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 1.02 0.00 0.00 1.05 0.00 0.00 123 V 8.10 3.44 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 0.57 0.00 0.00 0.89 0.00 0.00 124 G 9.03 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 0.00 0.00 0.00 125 Q 7.52 4.18 0.00 2.39 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 1.89 2.09 0.00 126 M 8.51 5.20 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 127 V 8.86 4.54 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 0.51 0.00 0.00 0.69 0.00 0.00 128 Y 9.30 5.24 0.00 2.96 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 0.00 129 Y 8.58 4.87 0.00 2.92 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 0.00 130 Q 8.49 4.56 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.12 2.29 0.00 131 C 9.19 4.97 0.00 2.94 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 0.00 132 V 8.26 4.24 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 0.97 0.00 0.00 0.97 0.00 0.00 133 Q 8.88 4.21 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.65 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 134 G 7.68 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 0.00 0.00 0.00 135 Y 7.34 4.91 0.00 2.94 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 0.00 136 R 9.08 4.42 0.00 1.89 1.82 0.00 3.09 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 137 A 8.66 4.57 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 138 L 9.11 4.48 0.00 1.80 1.51 0.91 0.94 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 0.00 139 H 8.61 5.18 0.00 3.11 3.21 0.00 5.79 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 0.00 140 R 8.90 4.38 0.00 1.81 1.92 0.00 3.05 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 141 G 9.05 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 0.00 0.00 0.00 142 P 0.00 4.06 0.00 2.28 2.28 0.00 3.70 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 2.11 2.04 0.00 143 A 8.86 5.03 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 0.00 144 E 8.31 5.45 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 145 S 9.40 5.02 0.00 4.21 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.49 4.87 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 0.81 0.00 0.00 0.96 0.00 0.00 147 C 8.19 4.13 0.00 1.23 2.31 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 0.00 148 K 8.67 4.77 0.00 1.61 1.62 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.33 7.81 149 M 8.42 4.82 0.00 1.85 1.93 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 150 T 8.17 4.53 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 151 H 8.61 3.92 0.00 3.20 3.25 0.00 5.77 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 G 8.77 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 0.00 0.00 0.00 153 K 7.58 4.67 0.00 1.82 1.61 0.00 1.49 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.38 7.81 154 T 8.16 5.18 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 1.17 0.00 0.00 155 R 8.40 4.75 0.00 1.92 2.01 0.00 2.74 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 156 W 8.66 5.34 0.00 3.17 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 0.00 157 T 8.65 4.13 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 1.29 0.00 0.00 158 Q 8.55 4.31 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.98 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 159 P 0.00 4.38 0.00 1.74 1.76 0.00 3.54 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.44 0.00 160 Q 8.72 4.45 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 161 L 7.44 5.06 0.00 1.55 1.37 0.74 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 162 I 8.74 4.61 1.84 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 1.19 0.50 0.88 0.00 0.00 163 C 8.74 5.41 0.00 2.88 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 0.00 164 T 8.69 4.83 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 0.00 165 G 8.80 3.53 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.