NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.2599 8.2644 123.5820 51.9167 19.2849 174.8865 5 K 4.2078 7.6860 121.6955 53.8484 33.9584 174.4724 6 T 4.3597 9.1865 124.5284 64.0963 70.6824 172.9903 7 T 5.0913 8.9222 122.1929 61.8311 72.9820 172.7672 8 I 4.9160 8.6283 126.1246 59.6389 40.1556 174.7189 9 I 5.0091 8.7686 126.9182 59.4019 40.6270 174.4396 10 A 4.4549 8.8772 130.1361 51.1499 19.2449 177.5418 11 G 3.8593 9.0943 110.0949 46.4119 0.0000 172.5444 12 S 5.2340 8.3677 115.2935 57.0229 66.1200 173.2374 13 A 4.8124 8.7889 122.2719 51.5078 23.0659 175.0125 14 E 5.2040 8.5495 115.5775 54.8824 32.7411 174.2618 15 A 4.8017 7.8597 120.7398 51.7114 22.4358 173.8468 16 P 5.1133 0.0000 0.0000 60.7645 33.3842 176.1189 17 Q 4.1023 8.5427 120.1021 57.9532 28.9612 177.7505 18 G 3.9874 9.6778 111.7304 44.9485 0.0000 173.4283 19 S 4.8264 7.5546 114.0510 57.0720 65.7189 173.0205 20 D 5.4444 8.5424 120.5875 53.2271 42.4595 175.8952 21 I 4.7709 8.9343 114.8774 59.1419 41.5879 173.9422 22 Q 5.0404 8.8003 124.2396 54.5603 31.1256 174.5681 23 V 4.5788 8.9166 127.9930 60.5150 33.8138 173.1149 24 P 4.3385 0.0000 0.0000 62.0742 33.4970 174.8755 25 V 4.4469 7.6613 121.4413 61.0874 33.5428 174.7791 26 K 4.8967 8.9865 127.0691 54.5711 35.8043 174.7844 27 I 4.9860 8.6907 121.7758 59.3332 41.3825 173.9311 28 E 5.0015 9.1414 127.0258 55.0587 32.8338 175.9630 29 N 4.3583 9.6476 120.1642 54.0341 37.0509 174.8306 30 A 4.1169 7.9203 119.8780 52.3564 19.1211 177.2884 31 D 4.7350 7.9864 120.2553 52.8509 42.1702 175.3465 32 K 3.8299 9.1021 130.4014 56.9200 30.5702 175.9027 33 V 3.9934 8.1955 119.0185 63.2193 32.3231 176.9155 34 G 4.2892 9.4724 114.8485 46.9879 0.0000 173.2867 35 S 5.3678 7.8912 113.4074 57.0410 66.9167 173.4425 36 I 5.2093 9.1692 122.5111 59.9175 41.4284 173.8381 37 N 5.6719 9.4761 124.5088 51.4670 42.0388 173.5540 38 L 4.9134 8.7549 121.9030 54.8943 44.9690 174.1145 39 I 4.9490 8.7722 119.7066 59.4170 40.5696 174.4913 40 L 5.2250 9.0704 129.8086 53.5088 43.9266 175.1228 41 S 5.3718 9.4336 122.4608 57.3894 65.0882 172.8338 42 Y 5.2829 8.0378 120.1098 54.3336 41.2441 173.4630 43 P 4.4693 0.0000 0.0000 62.3520 32.2778 177.1689 44 N 4.3509 8.5363 116.6017 56.3684 38.6838 176.7494 45 V 3.8044 7.7015 117.2807 64.5491 32.5655 175.5023 46 L 4.9977 7.5993 119.6222 53.1103 43.9785 175.6229 47 E 4.7732 8.6989 122.0738 54.3791 33.0914 174.6273 48 V 3.9420 8.5622 127.1116 63.0538 31.5915 175.0347 49 E 4.4903 8.9376 127.7411 57.9648 31.1729 175.6004 50 D 4.5312 7.3038 115.8843 53.3189 44.9383 174.4911 51 V 4.5787 7.9272 121.6637 61.0190 33.8946 174.4584 52 L 4.8482 8.8317 127.7341 52.4846 45.1062 176.3463 53 Q 3.5479 8.4179 120.6839 56.4074 29.6479 176.8657 54 G 4.3701 8.3926 111.3612 44.0660 0.0000 174.2975 55 S 4.2411 8.9858 113.5309 60.5114 63.0424 174.9877 56 L 4.5153 7.8304 119.4812 55.0574 42.4625 176.9936 57 T 5.1215 7.5903 107.3500 60.2637 69.1577 175.8658 58 Q 3.9909 8.3468 122.9545 58.9576 28.7180 177.1055 59 N 4.9682 7.9104 111.3639 52.7441 40.1228 174.3719 60 S 4.5198 7.7111 115.3554 57.9362 64.7859 173.0741 61 L 4.5269 8.9232 124.7174 54.9248 42.8449 175.3181 62 F 5.3620 8.9032 128.2381 56.6134 42.0817 173.5372 63 D 4.9633 8.8476 125.4242 52.7380 45.0366 174.1556 64 Y 5.1262 7.7097 117.8267 55.8148 41.4861 173.9868 65 Q 4.3172 9.3162 121.9140 54.7150 32.8254 173.4225 66 V 4.8681 8.6013 127.0005 61.3802 32.9377 174.9221 67 E 4.5723 8.9532 126.2934 55.2841 32.5906 175.0041 68 G 3.7552 8.4981 113.9676 47.2475 0.0000 173.2515 69 N 4.2095 8.3810 117.4174 52.6690 39.6003 173.8663 70 Q 5.2003 8.1212 115.4166 54.7332 32.8282 173.6020 71 I 4.9046 9.1250 122.9110 59.7735 39.5727 174.7227 72 K 4.7533 9.0932 128.2437 55.4240 33.7339 176.2161 73 V 4.5437 8.8294 124.9175 60.8030 34.8927 174.3084 74 G 4.4804 8.9317 114.3288 44.4148 0.0000 171.5690 75 I 5.3689 9.1457 124.9089 59.3972 41.2087 174.3555 76 A 5.1898 9.2195 127.9048 50.3924 22.8059 174.9279 77 D 4.7475 9.2416 122.4195 53.3279 43.1534 176.0963 78 S 4.2177 8.8974 121.9936 60.9578 63.2314 175.7117 79 N 4.3625 8.3422 118.2682 54.1364 38.5268 175.3360 80 G 4.1250 8.1665 106.3443 45.8018 0.0000 172.6530 81 I 4.4870 8.6149 123.1631 59.3831 39.0882 175.3496 82 S 4.9739 8.2220 119.9352 57.6761 67.6643 175.4390 83 G 3.8924 8.9013 108.5816 45.5344 0.0000 172.2029 84 D 5.4256 9.1833 120.5230 51.6760 43.9317 175.7289 85 G 3.9861 7.5484 110.9141 45.4753 0.0000 171.1746 86 S 4.6084 7.7251 114.1737 57.9185 63.8891 175.4595 87 L 4.4078 8.6765 123.6948 57.2511 42.5091 176.5357 88 F 5.0057 7.0583 111.0062 56.4870 41.0947 172.4516 89 Y 4.9058 9.2249 116.9952 56.1151 41.4783 174.9406 90 V 4.4580 8.8945 123.4435 60.9127 34.1840 174.1824 91 K 4.6691 8.6994 130.2133 55.5698 33.2502 175.3849 92 F 5.3387 9.2446 126.5095 55.7152 42.6520 174.3944 93 R 5.0599 8.9447 121.4320 54.5644 32.9296 174.9409 94 V 4.1220 8.9999 127.3804 62.5619 32.0134 176.0473 95 T 4.3303 8.7947 118.7595 63.2161 68.7461 175.8614 *121 T 4.2106 7.9436 118.6679 61.9323 70.6815 174.4537 122 L 3.1929 8.3975 118.6719 56.5529 41.1672 172.5273 123 R 4.9202 7.6012 111.4542 54.5143 30.3481 173.3354 124 N 4.9456 8.0656 117.9612 51.8624 42.0391 173.6973 125 S 4.8705 8.3052 118.2537 57.5059 65.6674 172.6250 126 H 5.1084 9.0147 116.2323 53.9795 32.8611 172.6119 127 A 4.8859 8.6767 122.6465 51.1162 20.5389 177.1279 128 L 4.7360 8.9787 122.6845 53.7050 43.3927 175.2303 129 T 5.0426 8.7738 121.4877 61.7403 70.8673 173.8167 130 L 5.2129 9.1763 127.3260 53.5484 43.1836 175.9045 131 Q 4.4001 9.1292 121.3045 54.6802 33.0146 174.5053 132 G 4.1489 8.7005 104.3758 46.5665 0.0000 173.7796 133 I 4.2192 7.8248 119.7937 60.9346 38.2132 175.7272 134 E 4.5823 9.5617 125.8660 54.6063 33.1572 174.5983 135 I 5.1250 7.8405 124.0770 59.4984 41.8442 173.3316 136 Y 5.3862 8.8723 125.5104 56.2549 42.7064 175.0238 137 D 5.1968 9.0525 123.0157 52.3818 41.6128 176.9497 138 I 3.9053 8.4010 111.3535 62.9435 37.5693 176.3279 139 D 4.6320 8.3539 119.9672 53.9866 40.9246 176.9484 140 G 3.9169 8.3171 107.1856 45.8197 0.0000 173.6979 141 N 4.8110 8.6562 117.6926 52.1353 39.5365 174.8460 142 S 4.3032 8.6482 118.1049 58.7198 63.6536 173.6094 143 V 4.3325 7.8948 124.2916 60.9828 33.0147 175.3098 144 K 4.3217 8.5905 127.4375 56.3237 32.6890 176.7205 145 V 4.8031 8.2928 116.5324 59.5978 35.6541 174.7414 146 A 4.9078 8.8614 125.0713 50.6870 21.6575 175.9958 147 T 5.1187 8.3421 108.6143 59.9594 72.2525 173.4485 148 I 4.5985 8.5348 123.2162 59.7489 40.6770 175.1092 149 N 4.9766 9.0424 124.5548 53.0320 39.9365 174.6064 150 G 4.3001 9.0737 108.1615 44.5084 0.0000 172.6125 151 T 5.3229 8.8181 115.7111 61.5612 72.5500 173.2391 152 F 5.9831 9.5451 127.7717 55.5005 42.8709 173.8620 153 R 4.5541 7.0943 122.8505 54.0523 34.1836 174.3913 154 I 4.3805 8.0294 123.8047 61.2108 37.9106 175.4211 155 V 4.5351 8.4714 125.6605 60.8119 35.5760 174.6739 156 S 4.8835 8.4085 123.0650 58.4418 62.1872 176.2640 157 Q 4.0482 8.8734 117.8521 56.6450 27.9035 177.5302 158 E 4.3793 8.1457 117.9842 56.7712 28.7810 176.7829 159 E 4.3964 8.5994 115.5556 56.2738 30.6305 177.7754 160 A 4.1813 8.0080 122.2845 54.4625 18.2305 179.3302 161 H 4.0600 7.8371 116.8579 59.4051 30.2178 176.4962 162 H 4.3599 7.9141 118.7203 59.6231 29.5498 176.5711 163 H 4.1023 8.2822 118.2826 59.1186 29.5710 175.6082 164 H 5.1391 7.8616 115.1399 54.4724 28.9070 174.1637 165 H 4.0193 7.9456 122.1671 57.3480 29.7498 174.8555 166 H 4.1838 8.2921 121.6361 56.5308 27.6819 174.1543 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 4 A 8.26 4.26 1.28 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 0.00 0.00 0.00 5 K 7.69 4.21 0.00 1.78 1.71 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.58 7.81 6 T 9.19 4.36 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 1.21 0.00 0.00 7 T 8.92 5.09 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 8 I 8.63 4.92 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.69 0.97 0.00 0.00 9 I 8.77 5.01 1.82 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 1.14 0.64 0.89 0.00 0.00 10 A 8.88 4.45 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 11 G 9.09 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 12 S 8.37 5.23 0.00 3.77 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 13 A 8.79 4.81 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 14 E 8.55 5.20 0.00 1.78 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 1.90 2.03 0.00 15 A 7.86 4.80 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 16 P 0.00 5.11 0.00 2.11 2.04 0.00 3.94 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 17 Q 8.54 4.10 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.57 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 18 G 9.68 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 19 S 7.55 4.83 0.00 3.94 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 20 D 8.54 5.44 0.00 2.59 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 21 I 8.93 4.77 2.01 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 1.22 1.43 1.07 0.00 0.00 22 Q 8.80 5.04 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.77 0.00 0.00 0.00 0.00 0.00 2.13 2.55 0.00 23 V 8.92 4.58 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 1.06 0.00 0.00 1.18 0.00 0.00 24 P 0.00 4.34 0.00 1.63 1.14 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 25 V 7.66 4.45 0.67 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 0.79 0.00 0.00 0.55 0.00 0.00 26 K 8.99 4.90 0.00 1.58 1.68 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.72 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.20 1.15 7.81 27 I 8.69 4.99 1.87 0.00 0.00 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 1.23 1.67 0.91 0.00 0.00 28 E 9.14 5.00 0.00 1.86 1.78 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 2.19 2.22 0.00 29 N 9.65 4.36 0.00 2.93 2.88 0.00 0.00 6.97 7.22 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 30 A 7.92 4.12 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.99 4.73 0.00 2.57 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 32 K 9.10 3.83 0.00 1.99 1.85 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.37 7.81 33 V 8.20 3.99 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 1.04 0.00 0.00 0.95 0.00 0.00 34 G 9.47 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 5.37 0.00 3.93 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 36 I 9.17 5.21 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.71 0.99 0.00 0.00 37 N 9.48 5.67 0.00 2.60 2.68 0.00 0.00 6.14 6.44 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 38 L 8.75 4.91 0.00 1.80 1.79 1.13 0.70 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 39 I 8.77 4.95 2.03 0.00 0.00 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 1.14 0.86 0.96 0.00 0.00 40 L 9.07 5.22 0.00 2.01 1.76 1.10 1.31 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 41 S 9.43 5.37 0.00 3.84 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 42 Y 8.04 5.28 0.00 2.69 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 43 P 0.00 4.47 0.00 2.09 2.23 0.00 3.61 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.00 0.00 44 N 8.54 4.35 0.00 2.72 2.92 0.00 0.00 6.90 7.68 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 45 V 7.70 3.80 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 1.20 0.00 0.00 0.84 0.00 0.00 46 L 7.60 5.00 0.00 1.34 0.86 -0.49 -0.40 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 47 E 8.70 4.77 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 2.22 2.28 0.00 48 V 8.56 3.94 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 0.62 0.00 0.00 0.40 0.00 0.00 49 E 8.94 4.49 0.00 1.85 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 2.41 2.37 0.00 50 D 7.30 4.53 0.00 2.70 2.35 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 51 V 7.93 4.58 0.67 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 0.53 0.00 0.00 0.45 0.00 0.00 52 L 8.83 4.85 0.00 1.59 1.45 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.42 3.55 0.00 1.67 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 1.73 1.16 0.00 54 G 8.39 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 55 S 8.99 4.24 0.00 3.97 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 56 L 7.83 4.52 0.00 1.79 1.77 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.59 5.12 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 58 Q 8.35 3.99 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.28 7.06 0.00 0.00 0.00 0.00 0.00 2.52 2.33 0.00 59 N 7.91 4.97 0.00 2.65 2.79 0.00 0.00 6.95 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 60 S 7.71 4.52 0.00 3.99 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 61 L 8.92 4.53 0.00 1.79 1.73 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.90 5.36 0.00 3.01 2.92 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 63 D 8.85 4.96 0.00 2.36 2.29 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.71 5.13 0.00 2.73 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 9.32 4.32 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 66 V 8.60 4.87 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 1.03 0.00 0.00 1.07 0.00 0.00 67 E 8.95 4.57 0.00 2.14 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 2.21 2.25 0.00 68 G 8.50 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 69 N 8.38 4.21 0.00 2.40 2.43 0.00 0.00 6.33 7.64 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 70 Q 8.12 5.20 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.67 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 71 I 9.12 4.90 1.98 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 1.31 1.06 0.87 0.00 0.00 72 K 9.09 4.75 0.00 1.66 1.70 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.39 7.81 73 V 8.83 4.54 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.12 0.00 0.00 74 G 8.93 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 75 I 9.15 5.37 1.98 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.85 1.05 0.00 0.00 76 A 9.22 5.19 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 77 D 9.24 4.75 0.00 2.74 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.90 4.22 0.00 4.03 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 79 N 8.34 4.36 0.00 2.88 2.94 0.00 0.00 7.11 6.93 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 80 G 8.17 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 81 I 8.61 4.49 1.91 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 1.34 0.85 0.94 0.00 0.00 82 S 8.22 4.97 0.00 3.80 3.77 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 83 G 8.90 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 0.00 0.00 0.00 84 D 9.18 5.43 0.00 2.64 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 85 G 7.55 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 86 S 7.73 4.61 0.00 3.49 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 87 L 8.68 4.41 0.00 1.63 2.04 0.99 0.75 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 88 F 7.06 5.01 0.00 3.36 3.26 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 89 Y 9.22 4.91 0.00 2.79 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 90 V 8.89 4.46 1.65 0.00 0.00 0.00 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 1.03 0.00 0.00 91 K 8.70 4.67 0.00 1.76 1.62 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.37 7.81 92 F 9.24 5.34 0.00 2.83 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 93 R 8.94 5.06 0.00 1.99 1.83 0.00 3.27 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 94 V 9.00 4.12 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 1.08 0.00 0.00 1.06 0.00 0.00 95 T 8.79 4.33 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 1.28 0.00 0.00 *121 T 7.94 4.21 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 0.00 122 L 8.40 3.19 0.00 1.80 1.72 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 123 R 7.60 4.92 0.00 1.87 2.10 0.00 3.11 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.36 0.00 124 N 8.07 4.95 0.00 2.57 2.53 0.00 0.00 6.94 7.63 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 0.00 125 S 8.31 4.87 0.00 3.87 3.79 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 0.00 126 H 9.01 5.11 0.00 3.22 3.24 0.00 5.60 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 0.00 127 A 8.68 4.89 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 0.00 128 L 8.98 4.74 0.00 1.63 1.72 1.06 0.45 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 0.00 129 T 8.77 5.04 4.27 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 1.28 0.00 0.00 130 L 9.18 5.21 0.00 1.52 1.64 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 9.13 4.40 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.30 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 132 G 8.70 4.15 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 0.00 133 I 7.82 4.22 1.87 0.00 0.00 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 1.38 0.76 0.90 0.00 0.00 134 E 9.56 4.58 0.00 1.89 1.93 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 2.24 2.43 0.00 135 I 7.84 5.12 1.84 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 1.30 1.65 0.82 0.00 0.00 136 Y 8.87 5.39 0.00 2.92 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 0.00 137 D 9.05 5.20 0.00 2.98 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 0.00 138 I 8.40 3.91 1.89 0.00 0.00 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 1.46 0.62 0.98 0.00 0.00 139 D 8.35 4.63 0.00 2.97 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 0.00 140 G 8.32 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 0.00 0.00 0.00 141 N 8.66 4.81 0.00 3.12 2.78 0.00 0.00 7.03 7.87 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 0.00 142 S 8.65 4.30 0.00 3.73 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 V 7.89 4.33 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 0.74 0.00 0.00 0.96 0.00 0.00 144 K 8.59 4.32 0.00 1.67 1.71 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.40 7.81 145 V 8.29 4.80 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 0.68 0.00 0.00 0.90 0.00 0.00 146 A 8.86 4.91 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 0.00 147 T 8.34 5.12 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 0.00 148 I 8.53 4.60 1.86 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 1.23 0.71 0.91 0.00 0.00 149 N 9.04 4.98 0.00 2.63 2.91 0.00 0.00 7.01 7.65 0.00 0.00 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 G 9.07 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 T 8.82 5.32 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 1.21 0.00 0.00 152 F 9.55 5.98 0.00 3.04 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 0.00 153 R 7.09 4.55 0.00 1.45 1.50 0.00 3.07 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 154 I 8.03 4.38 1.86 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 1.46 0.59 0.97 0.00 0.00 155 V 8.47 4.54 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 1.03 0.00 0.00 0.89 0.00 0.00 156 S 8.41 4.88 0.00 4.03 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 0.00 157 Q 8.87 4.05 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.73 7.14 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 158 E 8.15 4.38 0.00 2.01 1.88 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 2.31 2.28 0.00 159 E 8.60 4.40 0.00 2.06 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 2.32 2.41 0.00 160 A 8.01 4.18 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 0.00 161 H 7.84 4.06 0.00 3.45 3.38 0.00 5.76 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 H 7.91 4.36 0.00 3.38 3.46 0.00 5.85 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 H 8.28 4.10 0.00 3.17 3.33 0.00 5.78 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 0.00 164 H 7.86 5.14 0.00 3.18 3.28 0.00 5.74 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 H 7.95 4.02 0.00 3.18 3.21 0.00 5.83 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 0.00 166 H 8.29 4.18 0.00 3.26 3.20 0.00 5.61 0.00 0.00 0.00 0.00 6.91 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.