NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.5475 8.4131 119.2093 53.2434 39.5967 174.2045 3 G 3.7452 8.1161 105.5948 44.5028 0.0000 170.6483 4 A 4.2463 8.4892 124.0418 51.9886 20.1489 175.4391 5 I 4.5271 8.2911 120.8714 59.3838 40.4113 174.7084 6 K 4.7984 8.5203 125.8173 54.6018 34.9477 175.9384 7 V 4.1673 8.7763 118.6964 60.8892 34.4909 175.3365 8 G 2.7870 8.0279 108.4886 43.5688 0.0000 172.7937 9 A 3.8871 7.9479 121.5627 51.0428 19.7730 177.1301 10 W 4.0877 9.6289 121.3775 54.8609 30.8400 175.8875 11 G 3.4261 6.9091 109.6747 44.6336 0.0000 171.5167 12 G 4.0840 8.0481 112.9808 43.7754 0.0000 172.9595 13 N 4.7288 8.4901 115.1875 52.7702 39.1847 175.2653 14 G 3.7517 7.8726 108.1729 45.3658 0.0000 174.1146 15 G 3.9777 8.3765 108.5576 44.9390 0.0000 172.5907 16 S 4.9747 8.4680 113.7650 56.1821 65.6277 174.2822 17 A 4.7053 8.6912 125.1394 52.4825 18.8416 176.7519 18 F 5.0805 8.6547 115.8110 55.5398 42.1449 173.8722 19 D 4.9316 8.6838 117.2794 54.2917 42.5342 174.9062 20 M 4.4121 9.6746 125.1742 55.4744 32.0305 177.6898 21 G 3.5394 8.6062 110.0816 43.4788 0.0000 171.0631 22 P 4.0103 0.0000 0.0000 61.8939 32.1443 175.0259 23 A 4.8487 8.0905 121.7378 50.1442 21.9859 175.9985 24 Y 4.2485 8.4207 120.6505 60.7217 39.7459 176.6252 25 R 4.4404 7.8406 118.7897 55.1423 34.0613 174.6539 26 I 4.2756 8.5141 126.3996 61.7950 37.3054 176.1923 27 I 4.3113 9.0625 128.7561 63.4640 38.7460 176.0963 28 S 5.0613 7.7411 113.9836 57.1089 66.2877 173.4825 29 V 4.7113 8.5159 121.6613 60.9264 34.5836 174.0216 30 K 4.5927 9.3541 129.3830 54.7179 34.4746 174.5560 31 I 4.6864 8.2923 130.0173 60.2896 38.8343 175.0485 32 F 5.1278 9.4069 127.4676 56.2270 40.3920 175.3114 33 S 5.2156 8.7540 117.8701 57.3961 66.8339 175.7415 34 G 4.3902 9.3574 108.7597 46.7962 0.0000 175.1296 35 D 4.5990 9.5775 128.3521 57.0617 42.5426 175.9522 36 V 4.4369 7.1158 116.2758 61.4937 35.8767 173.5089 37 V 4.3646 8.4242 122.8012 61.9293 30.8892 176.0249 38 D 4.8566 9.3218 128.8965 57.1674 42.1224 176.2233 39 A 4.4025 7.7193 117.6391 51.8746 22.8985 175.3833 40 V 4.9213 8.1542 118.3866 62.0285 34.9388 173.3162 41 D 5.2108 9.4956 128.6789 52.8588 43.2021 175.6751 42 V 4.7284 8.1890 122.1224 61.2217 34.7808 174.0250 43 T 5.3594 8.7398 118.2338 60.0210 71.3036 173.2054 44 F 5.4661 8.8781 119.4063 56.0563 42.2171 172.7302 45 T 5.0042 9.0121 113.2472 61.1404 70.8722 173.7021 *46 Y 4.7170 9.1932 126.6416 55.7733 40.3821 172.1111 47 Y 3.6970 9.1143 124.4977 58.0132 35.5888 169.9076 48 G 4.3045 8.0479 109.9354 45.3923 0.0000 173.3135 49 K 4.3016 7.7128 119.3069 55.9639 33.4934 176.5807 50 T 4.6834 8.4053 114.9074 60.4379 69.8925 173.6288 51 E 4.5877 8.5840 126.3185 54.5378 33.0099 175.1639 52 T 4.9627 8.1468 117.2561 61.9566 71.4490 173.7408 53 R 4.4982 8.7633 125.0045 54.6328 33.2690 175.1625 54 H 4.8579 8.1416 118.7287 53.3730 30.8133 173.1680 55 F 4.6317 8.3428 122.5840 56.5945 41.4273 177.4421 56 G 4.0050 8.7329 107.8188 45.9415 0.0000 171.7723 57 G 4.1895 8.9931 111.6713 43.3938 0.0000 173.1144 58 S 4.2311 8.3011 111.9701 57.7227 63.3221 174.4906 59 G 3.8134 7.7426 110.6004 45.4041 0.0000 174.0369 60 G 4.1115 8.6676 105.4266 45.5593 0.0000 172.5520 61 T 4.6755 8.7790 115.9439 61.1176 70.2217 173.2978 62 P 3.8539 0.0000 0.0000 62.9111 32.4833 175.6756 63 H 4.4412 8.4969 118.9267 54.0620 32.1388 171.7907 64 E 4.5366 8.6117 124.9317 54.9292 31.1083 175.4245 65 I 3.8863 8.9153 129.0277 59.5019 38.8926 174.5613 66 V 4.2678 8.0437 127.8038 61.6690 32.3322 175.2279 67 L 4.4455 8.7309 129.5619 54.1722 42.3192 177.2007 68 Q 4.1858 9.2360 125.7403 54.8123 30.0036 174.5796 69 E 4.0320 8.4116 120.2444 58.0203 29.2950 177.5440 70 G 3.5505 8.8016 112.0093 45.2336 0.0000 171.6474 71 E 4.4403 7.4087 120.1116 54.3617 31.1363 174.7495 72 Y 5.1112 8.3413 122.5692 55.9478 42.7379 174.7282 73 L 4.6918 8.6703 121.8819 54.8987 42.6967 177.5023 74 V 4.5030 8.8024 116.6538 60.6181 33.6205 175.4449 75 G 4.3320 7.8289 105.6349 45.6941 0.0000 172.4587 76 M 5.1473 8.7812 124.5647 54.2815 36.1335 174.6331 77 K 4.0953 8.3062 127.6023 54.0246 37.0143 173.9179 78 G 3.5655 6.3939 103.7727 47.3234 0.0000 171.7763 79 E 5.3722 8.5432 119.1265 54.8561 34.4259 174.6418 80 F 5.4984 8.2881 118.6874 55.3899 41.6882 174.4110 81 G 4.2210 8.5030 106.3981 45.7665 0.0000 171.6302 82 N 4.9909 9.0075 119.3731 53.7873 39.3621 174.2349 83 Y 4.5726 9.6420 129.0459 56.6834 39.0718 174.7363 84 H 3.7574 9.3045 127.7952 56.6899 26.5158 175.2749 85 G 4.0688 7.7994 106.0913 45.1928 0.0000 174.2794 86 V 4.4476 7.8311 119.9501 60.9957 34.5363 175.0534 87 V 4.4519 8.5849 127.7594 62.4531 31.8409 174.7620 88 V 4.7502 8.5154 120.6007 58.7759 36.3472 175.3627 89 V 4.2005 9.0275 122.9888 63.6718 31.6383 176.6073 90 G 3.8845 9.4556 116.2530 46.5472 0.0000 172.8935 91 K 5.0996 7.8514 118.9608 55.0573 37.0450 174.9787 92 L 4.9107 9.1344 125.4023 53.8664 45.8964 174.7470 93 G 4.4713 9.1828 112.3499 44.7332 0.0000 171.2550 94 F 5.6682 9.0342 118.7731 55.4429 43.5307 174.2024 95 S 5.4229 9.3303 115.7963 57.0099 66.4175 173.1329 96 T 5.8003 9.2226 112.0380 58.9644 71.7591 174.2937 97 N 4.4796 8.9908 117.2663 54.4220 37.7955 175.5063 98 K 4.3611 7.5935 117.9235 57.5419 33.8099 176.2653 99 K 4.5014 8.1339 118.0451 54.7896 35.4373 174.4167 100 S 4.9191 8.1537 117.2341 56.9482 63.9619 172.9212 101 Y 4.6801 9.2429 124.2417 57.2761 41.1964 176.5084 102 G 2.7600 8.3695 110.6091 44.0159 0.0000 171.2928 103 P 4.1722 0.0000 0.0000 62.4274 32.3796 175.6119 104 F 4.8009 8.7456 118.9533 56.7261 41.0076 175.5452 105 G 4.3959 8.7915 111.5283 44.8854 0.0000 173.2224 106 N 4.8694 8.5091 116.2104 52.7461 39.7444 174.5340 107 T 4.4509 7.6359 117.2855 61.4791 69.6215 174.6542 108 G 3.8753 8.6118 115.9032 45.5218 0.0000 173.4163 109 G 3.8407 8.3569 107.6994 45.6828 0.0000 172.8051 110 T 3.9591 7.8029 119.5957 62.5889 69.0359 172.9493 111 P 4.9673 0.0000 0.0000 62.7259 32.4861 175.5322 112 F 5.1839 8.6468 116.0732 55.5323 41.8565 173.5410 113 S 4.5200 8.1931 112.9398 57.1926 65.9724 174.0122 114 L 4.7844 9.1176 126.0681 52.4042 42.5799 172.1078 115 P 4.7661 0.0000 0.0000 61.9114 32.8306 175.9893 116 I 4.4111 8.0755 124.1022 59.6876 37.9218 175.5461 117 A 4.1353 8.8360 130.9820 53.9926 18.8881 177.3959 118 A 4.4444 8.1167 117.9772 51.4033 21.7507 174.2023 119 G 3.7181 8.7602 108.5509 44.3149 0.0000 172.0403 120 K 4.7619 8.6862 116.9498 55.7603 36.4544 174.9886 121 I 4.7264 8.6267 122.9439 60.9427 37.5164 176.3134 122 S 4.5690 9.0526 120.5689 57.6760 65.0684 173.4851 123 G 4.1502 6.9076 106.5992 46.5354 0.0000 171.8491 124 F 5.8376 8.3298 116.9802 55.9820 43.7785 174.1493 125 F 5.0484 9.0118 115.4835 55.0131 41.8144 173.9612 126 G 3.3620 6.1649 104.2744 45.8324 0.0000 171.1915 127 R 5.1406 7.8124 119.8133 54.5069 34.5793 175.0058 128 G 4.6468 9.4610 109.1356 44.4185 0.0000 171.3539 129 G 4.6759 9.1494 110.3826 45.9084 0.0000 174.4141 130 D 4.2158 9.3566 127.3891 56.1461 41.5125 174.5036 131 F 5.4296 7.4574 115.6324 55.6345 43.2466 173.5151 132 I 4.5332 8.8476 122.5030 61.4970 36.0819 176.9895 133 D 4.6205 8.9536 127.9079 57.1857 42.0875 176.3081 134 A 5.0087 8.1700 117.6491 50.8923 23.1764 175.3294 135 I 4.9668 8.7574 120.3215 59.5004 42.2462 174.2623 136 G 3.8277 8.8030 114.3806 44.8023 0.0000 171.4232 137 V 5.0376 8.6955 118.2433 60.2742 34.8538 173.9055 138 Y 4.9351 9.0073 121.4486 57.3520 39.4097 174.4818 139 L 5.2422 8.8440 123.6550 53.1545 44.7762 175.5654 140 E 4.7449 8.8034 118.8405 53.9899 33.7549 173.6748 141 P 4.3720 0.0000 0.0000 63.0916 31.3822 176.5280 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 2 N 8.41 4.55 0.00 2.72 2.87 0.00 0.00 7.23 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 G 8.12 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 4 A 8.49 4.25 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 5 I 8.29 4.53 1.88 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 1.33 0.85 0.90 0.00 0.00 6 K 8.52 4.80 0.00 1.08 0.93 0.00 0.61 0.00 0.00 1.01 0.00 0.00 2.28 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.55 0.98 7.81 7 V 8.78 4.17 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 0.73 0.00 0.00 1.15 0.00 0.00 8 G 8.03 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 0.00 0.00 0.00 9 A 7.95 3.89 0.80 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 0.00 0.00 10 W 9.63 4.09 0.00 2.27 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 0.00 0.00 0.00 11 G 6.91 3.43 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 0.00 12 G 8.05 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 0.00 0.00 0.00 13 N 8.49 4.73 0.00 2.69 2.81 0.00 0.00 6.77 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 14 G 7.87 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 15 G 8.38 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.47 4.97 0.00 3.82 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 17 A 8.69 4.71 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 18 F 8.65 5.08 0.00 2.94 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 19 D 8.68 4.93 0.00 2.70 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 20 M 9.67 4.41 0.00 2.65 2.33 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 3.01 0.00 21 G 8.61 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.01 0.00 2.02 1.74 0.00 3.46 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.81 0.00 23 A 8.09 4.85 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 24 Y 8.42 4.25 0.00 2.82 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 25 R 7.84 4.44 0.00 1.90 1.89 0.00 3.40 0.00 0.00 3.40 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 26 I 8.51 4.28 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.80 1.01 0.00 0.00 27 I 9.06 4.31 2.00 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 1.34 0.88 0.92 0.00 0.00 28 S 7.74 5.06 0.00 3.83 3.87 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 29 V 8.52 4.71 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 0.57 0.00 0.00 0.82 0.00 0.00 30 K 9.35 4.59 0.00 1.65 1.55 0.00 1.37 0.00 0.00 1.47 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.62 0.87 7.81 31 I 8.29 4.69 1.53 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.52 1.04 0.00 0.00 32 F 9.41 5.13 0.00 3.00 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 33 S 8.75 5.22 0.00 4.02 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 34 G 9.36 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 0.00 0.00 0.00 0.00 35 D 9.58 4.60 0.00 2.30 2.52 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 36 V 7.12 4.44 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 0.13 0.00 0.00 0.10 0.00 0.00 37 V 8.42 4.36 2.30 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 1.12 0.00 0.00 1.05 0.00 0.00 38 D 9.32 4.86 0.00 3.09 2.85 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 0.00 0.00 0.00 0.00 39 A 7.72 4.40 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 40 V 8.15 4.92 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 0.77 0.00 0.00 1.05 0.00 0.00 41 D 9.50 5.21 0.00 2.76 2.48 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 42 V 8.19 4.73 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.83 0.00 0.00 43 T 8.74 5.36 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 1.18 0.00 0.00 44 F 8.88 5.47 0.00 3.23 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 45 T 9.01 5.00 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 1.26 0.00 0.00 *46 Y 9.19 4.72 0.00 1.93 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 0.00 0.00 0.00 0.00 47 Y 9.11 3.70 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 48 G 8.05 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 49 K 7.71 4.30 0.00 1.83 1.82 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.53 7.81 50 T 8.41 4.68 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 1.18 0.00 0.00 51 E 8.58 4.59 0.00 1.16 1.58 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 1.95 2.18 0.00 52 T 8.15 4.96 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 1.00 0.00 0.00 53 R 8.76 4.50 0.00 1.28 1.16 0.00 3.51 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.16 0.00 54 H 8.14 4.86 0.00 2.81 3.04 0.00 5.72 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.34 4.63 0.00 2.69 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 0.00 0.00 0.00 56 G 8.73 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 57 G 8.99 4.19 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 0.00 58 S 8.30 4.23 0.00 3.80 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 59 G 7.74 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 0.00 0.00 0.00 60 G 8.67 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 61 T 8.78 4.68 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 1.07 0.00 0.00 62 P 0.00 3.85 0.00 1.59 1.04 0.00 3.61 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.87 0.00 63 H 8.50 4.44 0.00 2.06 2.33 0.00 5.60 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.61 4.54 0.00 1.81 1.73 0.00 0.00 0.00 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 2.20 0.00 65 I 8.92 3.89 1.59 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 0.26 0.51 0.15 0.00 0.00 66 V 8.04 4.27 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 0.77 0.00 0.00 0.89 0.00 0.00 67 L 8.73 4.45 0.00 1.67 1.58 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 9.24 4.19 0.00 2.24 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 69 E 8.41 4.03 0.00 1.97 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 2.25 0.00 70 G 8.80 3.55 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 0.00 0.00 0.00 71 E 7.41 4.44 0.00 1.83 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 2.23 2.40 0.00 72 Y 8.34 5.11 0.00 3.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.67 4.69 0.00 1.69 1.77 0.87 0.84 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 74 V 8.80 4.50 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 1.21 0.00 0.00 1.07 0.00 0.00 75 G 7.83 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 0.00 0.00 0.00 0.00 76 M 8.78 5.15 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.29 0.00 77 K 8.31 4.10 0.00 1.42 1.58 0.00 1.91 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.27 7.81 78 G 6.39 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.54 5.37 0.00 1.83 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 2.08 2.09 0.00 80 F 8.29 5.50 0.00 3.31 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 81 G 8.50 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 82 N 9.01 4.99 0.00 2.80 2.78 0.00 0.00 6.64 7.54 0.00 0.00 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 Y 9.64 4.57 0.00 2.90 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 84 H 9.30 3.76 0.00 2.86 3.15 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.80 4.07 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 0.00 86 V 7.83 4.45 2.32 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 1.07 0.00 0.00 1.14 0.00 0.00 87 V 8.58 4.45 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.03 0.00 0.00 88 V 8.52 4.75 2.37 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 0.95 0.00 0.00 0.93 0.00 0.00 89 V 9.03 4.20 2.32 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 1.20 0.00 0.00 1.09 0.00 0.00 90 G 9.46 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 0.00 0.00 0.00 91 K 7.85 5.10 0.00 1.61 1.56 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.72 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.55 7.81 92 L 9.13 4.91 0.00 1.72 1.58 1.16 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 93 G 9.18 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 F 9.03 5.67 0.00 3.18 3.03 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 95 S 9.33 5.42 0.00 3.88 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 96 T 9.22 5.80 4.43 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 1.42 0.00 0.00 97 N 8.99 4.48 0.00 2.89 3.05 0.00 0.00 5.84 7.13 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 98 K 7.59 4.36 0.00 1.99 1.88 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.47 7.81 99 K 8.13 4.50 0.00 1.61 1.37 0.00 1.41 0.00 0.00 0.98 0.00 0.00 2.29 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.85 1.15 7.81 100 S 8.15 4.92 0.00 3.79 3.61 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 0.00 101 Y 9.24 4.68 0.00 3.36 3.11 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 0.00 102 G 8.37 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 0.00 0.00 0.00 103 P 0.00 4.17 0.00 2.01 1.84 0.00 3.53 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.00 104 F 8.75 4.80 0.00 3.16 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 0.00 105 G 8.79 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.51 4.87 0.00 2.68 2.79 0.00 0.00 6.83 6.82 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 0.00 107 T 7.64 4.45 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 108 G 8.61 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 0.00 0.00 0.00 109 G 8.36 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 T 7.80 3.96 2.96 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 1.05 0.00 0.00 111 P 0.00 4.97 0.00 1.96 1.92 0.00 3.60 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 1.92 1.88 0.00 112 F 8.65 5.18 0.00 2.60 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.19 4.52 0.00 3.69 3.61 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 0.00 114 L 9.12 4.78 0.00 1.57 1.60 1.16 1.15 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 0.00 115 P 0.00 4.77 0.00 2.12 2.02 0.00 3.79 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 116 I 8.08 4.41 2.10 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 1.23 0.72 0.94 0.00 0.00 117 A 8.84 4.14 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.12 4.44 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 0.00 119 G 8.76 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.69 4.76 0.00 1.92 1.86 0.00 1.08 0.00 0.00 0.91 0.00 0.00 2.90 0.00 0.00 2.23 0.00 0.00 0.00 0.00 1.09 1.28 7.81 121 I 8.63 4.73 1.91 0.00 0.00 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 1.32 0.63 0.61 0.00 0.00 122 S 9.05 4.57 0.00 3.72 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 0.00 123 G 6.91 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 0.00 124 F 8.33 5.84 0.00 3.20 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 0.00 125 F 9.01 5.05 0.00 3.08 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 6.16 3.36 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 0.00 127 R 7.81 5.14 0.00 1.72 1.93 0.00 3.01 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 128 G 9.46 4.65 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 0.00 0.00 0.00 129 G 9.15 4.68 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 0.00 130 D 9.36 4.22 0.00 2.39 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.46 5.43 0.00 3.23 3.11 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 0.00 132 I 8.85 4.53 2.16 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.07 1.14 0.00 0.00 133 D 8.95 4.62 0.00 2.74 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.17 5.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 8.76 4.97 2.06 0.00 0.00 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 1.51 1.89 1.13 0.00 0.00 136 G 8.80 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 0.00 0.00 0.00 137 V 8.70 5.04 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 0.90 0.00 0.00 0.81 0.00 0.00 138 Y 9.01 4.94 0.00 3.00 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 0.00 139 L 8.84 5.24 0.00 1.50 1.57 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.80 4.74 0.00 1.97 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 2.12 2.18 0.00 141 P 0.00 4.37 0.00 2.01 1.99 0.00 3.67 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 2.01 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.