NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.7173 8.4444 116.2989 55.2204 28.9625 172.3093 1 M 4.2146 8.5283 125.5191 54.9964 32.9487 173.9241 2 K 4.8598 9.6433 126.4912 55.1628 35.5047 174.9086 3 I 4.9489 8.9531 124.1322 59.7689 39.8161 174.9219 4 F 5.5781 9.0516 125.7128 56.0776 42.0420 174.5587 5 L 5.1858 8.4531 120.9531 53.5300 43.9372 176.0728 6 D 5.1223 9.0973 124.4349 53.2281 39.8671 175.3699 7 T 4.4767 7.8227 115.3878 61.3524 70.3594 172.3450 8 A 4.5810 8.5633 125.2324 51.2181 20.5003 176.1391 9 N 4.8522 8.7545 118.5915 52.6148 39.9274 175.7915 10 L 4.0825 8.5503 130.5787 57.9595 41.8214 179.8978 *11 E 3.9881 8.6620 119.3147 61.0692 29.6988 182.8308 12 E 3.2983 7.9540 118.5824 58.8090 29.3560 179.1290 13 I 3.6737 7.5575 122.8149 64.5284 37.1367 179.0612 14 K 3.8428 8.1178 124.8331 59.7355 31.4549 181.0879 15 K 3.6023 7.9340 120.4215 58.8430 31.8809 179.4592 16 G 3.9327 7.9372 105.9835 48.1695 0.0000 175.8746 17 V 3.7047 7.9536 121.0527 65.4843 31.3209 177.7366 18 E 3.9404 8.3425 117.8649 59.4276 29.3798 179.1841 19 W 4.7640 8.2026 117.5713 57.3030 29.2766 176.7276 20 G 4.0194 8.2249 106.5545 46.9273 0.0000 174.4369 21 I 4.4565 7.9567 120.0619 60.3529 39.5696 176.0384 22 V 4.5552 7.9571 119.8972 61.4876 32.5344 174.6695 23 D 4.7966 9.2005 126.8038 54.8899 43.0104 176.0498 24 G 3.4884 7.3197 103.5695 45.8768 0.0000 172.0562 25 V 5.0546 7.7780 119.0454 61.2727 35.3180 174.3998 26 T 4.8881 9.2199 120.0824 60.8838 71.2631 173.8482 *27 T 5.1755 8.2963 117.6615 60.0065 73.1168 170.4864 28 N 5.1035 8.2020 114.3473 51.8079 39.8833 173.9359 29 P 4.3557 0.0000 0.0000 66.2450 31.2530 179.7689 *30 T 3.8817 8.3143 114.0730 65.9293 68.1697 181.0954 31 L 4.2140 8.3368 122.5944 58.5294 42.2443 179.8617 *32 I 3.7868 7.7475 119.9400 65.5703 35.2378 179.7496 33 S 4.4809 8.3854 116.3515 60.8042 62.2947 176.2686 *34 K 4.0073 7.7725 126.2418 60.9106 31.2217 182.3762 35 E 4.1621 8.3589 122.9193 58.4719 29.8571 179.8705 *39 F 4.8244 8.2047 117.3254 56.2707 39.9155 181.7718 *40 K 4.2871 9.0312 128.2237 61.9643 30.9284 177.7654 *41 Q 4.2705 8.3106 121.3685 61.5712 27.8369 184.8217 *42 R 4.1703 8.6607 125.1967 62.0950 29.5386 181.7742 *43 V 3.9179 7.8722 122.6542 66.3303 31.5447 180.9426 *44 K 4.2480 8.8687 126.9799 60.3625 31.6985 181.7435 *45 E 4.2168 8.0276 119.7037 61.0313 29.5765 181.1675 46 I 3.8881 7.9103 121.0270 64.2271 37.0597 178.2081 47 C 4.0194 8.1472 117.6204 63.2049 27.8246 176.1601 48 D 4.3128 7.9107 118.5742 56.7554 40.3401 178.4531 49 L 4.0946 7.3792 119.9076 58.1974 42.3793 178.9474 50 V 3.7619 8.2115 113.5100 62.2089 32.6020 177.0712 *51 K 3.7798 8.1955 119.5808 54.3492 29.1603 176.2990 52 G 4.3057 7.1181 105.0542 45.8323 0.0000 171.5646 53 P 4.5063 0.0000 0.0000 63.1070 32.4656 176.0112 54 V 4.7202 8.7127 124.9600 60.8878 34.1115 174.3267 55 S 5.1002 8.8553 124.2856 57.8494 64.6016 173.2261 56 A 5.0449 9.1381 125.4868 50.0499 22.1710 174.8467 57 E 4.6451 8.7831 119.4686 55.7956 31.7596 176.2561 58 V 4.0530 7.5809 115.5251 60.7143 32.9067 177.0070 59 V 3.7191 8.5190 122.0358 66.1237 31.7289 177.1659 60 S 4.4319 8.9247 114.5748 58.5286 63.1147 174.1430 61 L 4.6963 8.2419 120.4060 54.4121 43.6039 177.4745 62 D 4.8386 7.7986 119.3761 52.6431 41.7807 176.1099 63 Y 4.2879 8.7213 122.9086 61.3377 38.7743 178.8687 64 E 3.6354 8.1968 118.6562 59.2505 29.6752 179.4716 65 G 3.5759 8.9778 105.9921 48.0558 0.0000 175.5964 66 M 4.0700 8.3009 121.5957 58.0297 31.9855 179.1084 67 V 3.4644 7.6129 118.2931 65.8343 31.5857 177.6779 68 R 3.8236 7.8805 118.5422 59.8804 29.8073 178.2966 69 E 3.9510 8.3040 117.7479 59.1227 29.3593 179.0078 70 A 4.0036 8.2262 121.1307 55.4162 18.2080 179.8886 71 R 3.8450 7.7656 115.1753 59.2713 30.0298 178.6986 72 E 4.0633 7.8488 119.1683 59.3942 29.7338 178.9200 73 L 3.9963 8.3823 119.2522 57.6887 41.6867 179.3419 74 A 4.0520 8.3647 121.1049 55.1844 18.0807 179.4659 75 Q 4.1704 7.6406 114.7938 58.3300 28.7624 178.4706 76 I 3.8667 7.4347 121.0197 63.4080 37.5552 176.0077 77 S 4.5298 7.1702 111.8460 57.8314 65.5645 176.6173 *78 E 4.0312 9.0001 123.7617 59.4079 29.7567 179.1802 *79 Y 4.3330 8.6774 115.7188 58.2171 37.4399 180.3111 80 V 4.2446 7.3661 118.9630 62.5444 32.1952 175.9786 81 V 4.5157 8.8890 124.4346 61.1198 34.7181 174.0480 82 I 4.7017 8.5735 128.7677 59.9473 38.2057 174.8996 83 K 4.7194 9.0475 130.1814 56.3718 33.2961 175.5389 84 I 4.9255 8.8159 128.6837 58.6704 40.4543 173.4842 85 P 4.5994 0.0000 0.0000 62.7656 32.9464 175.7338 86 M 4.6983 8.5366 122.7562 55.7971 30.6916 175.1119 87 T 4.7633 7.9510 113.9014 57.7778 72.9091 173.6276 88 P 4.1985 0.0000 0.0000 66.1937 31.1513 178.5444 89 D 4.4370 8.1810 116.8534 57.3771 40.8092 178.9183 90 G 3.8189 7.9264 107.0529 47.3926 0.0000 175.8223 91 I 3.7938 8.0837 122.3602 63.7794 37.2355 178.3452 92 K 3.7717 8.2373 120.4673 59.4417 31.9610 178.6382 93 A 4.3368 8.5610 121.4335 55.2755 18.2373 179.7124 94 V 3.5667 7.9457 116.7337 65.9380 31.5925 178.0474 95 K 4.1218 7.9865 120.6158 59.2710 31.6932 178.8380 96 T 3.9095 7.8633 115.4063 66.8312 68.4001 176.7928 97 L 4.0424 8.4615 121.2540 57.7041 41.6164 179.6159 98 S 4.0945 8.4857 115.3880 61.7662 62.6251 176.7203 99 A 4.1026 7.7023 121.2728 54.5547 18.0763 178.4487 100 E 4.4813 7.5732 114.6492 55.6868 29.7413 176.7824 101 G 3.8672 7.7766 106.5459 46.1402 0.0000 173.4451 102 I 4.3159 7.7329 120.7854 59.6346 38.0909 176.1182 103 K 4.4505 8.6978 127.0598 56.4908 33.0451 176.1224 104 T 5.1665 8.8111 113.0922 60.0088 72.7782 172.5491 105 N 5.2784 9.4073 121.9571 51.8907 41.9064 173.2014 106 V 4.4877 8.8926 128.3482 62.8604 32.9781 175.2210 107 T 4.8354 8.8632 118.0154 59.2883 72.5228 173.3559 108 L 2.4400 7.7643 117.7214 55.4492 39.0414 175.2541 109 V 4.2501 6.7404 116.5310 61.5353 32.6441 175.5291 110 F 4.9879 9.4072 124.4576 56.5752 40.8072 175.4457 111 S 4.7755 7.7524 115.5951 55.1341 67.1476 172.9873 112 P 4.3024 0.0000 0.0000 65.9325 30.9796 178.6730 113 A 3.9905 7.9933 120.2230 55.1703 18.4139 179.2585 114 Q 3.9428 8.0906 116.3378 59.2775 28.9133 179.1872 115 A 4.0982 7.9406 121.0323 55.0485 18.2270 179.8683 116 I 3.5305 7.8563 118.5321 64.5623 37.2146 178.5608 117 L 3.8659 7.7501 119.1020 57.5631 41.3929 179.3817 118 A 3.9286 8.1013 120.4460 55.1680 18.3714 179.5528 119 A 4.0592 7.4941 120.2530 54.7167 18.0352 180.0430 120 K 3.7889 7.5895 115.7225 59.3675 32.3878 179.0774 121 A 4.1868 8.0971 120.4635 53.1301 18.0087 178.6907 122 G 3.9104 7.6388 105.7175 45.2144 0.0000 173.8754 123 A 4.2180 7.4028 121.2337 51.8021 19.1420 179.0389 124 T 3.9829 8.5738 118.0767 66.3170 69.6841 174.2595 125 Y 5.5023 8.5693 117.3091 56.3375 42.8402 174.9793 126 V 4.8805 8.9093 114.2455 59.9633 35.8905 175.1913 127 S 5.6318 9.0182 120.2485 54.9196 64.5020 170.8117 128 P 4.4869 0.0000 0.0000 62.5081 32.3088 175.6637 129 F 4.6126 8.7939 123.9908 56.4297 38.3946 177.0760 130 V 3.6546 8.8151 123.3555 65.8226 31.7321 177.6827 131 G 3.7374 8.2910 105.5674 48.0566 0.0000 175.7252 132 R 4.1253 7.8855 118.9484 59.3561 30.2874 178.7734 133 M 4.3300 8.0759 117.6656 58.3918 31.8859 178.3346 134 D 4.4479 8.4658 119.3452 57.7107 40.8402 178.5794 135 D 4.4639 7.9443 117.1888 56.3786 40.0631 177.8537 136 L 4.2425 7.7712 119.0373 54.3390 41.5072 177.3638 137 S 4.0387 7.8832 112.6201 59.5143 62.1206 172.3555 138 N 4.6077 7.6272 115.6051 53.2880 38.5571 173.0267 139 D 4.4306 8.0521 122.7415 54.4731 38.7447 174.0197 140 G 3.6442 10.1866 113.2812 47.2413 0.0000 172.3552 141 M 4.1064 8.2544 120.0005 58.1594 32.3093 178.1581 142 R 3.8776 8.2784 119.3374 59.5575 30.3639 178.1349 143 M 4.0480 7.7865 118.0442 58.5264 32.1821 177.9374 144 L 4.0070 8.1157 120.6849 58.0987 42.2866 179.1764 145 G 3.6155 8.2225 105.6771 47.8090 0.0000 175.5747 146 E 4.0467 8.3122 120.8266 59.2419 29.4084 179.4790 147 I 3.6846 7.5995 119.4513 64.2290 37.0881 178.5006 148 V 3.5236 7.8213 119.2015 65.9710 31.3264 177.6233 149 E 3.9190 8.2067 118.8482 59.4321 29.3090 178.8963 150 I 3.8553 8.0135 119.7847 64.8300 37.2628 178.1672 151 Y 4.4907 8.8267 117.9728 61.1597 37.4384 178.2483 152 N 4.4120 8.3941 117.1413 56.3409 38.6873 176.8538 153 N 4.2266 7.9655 117.1005 55.4169 37.8005 175.9561 154 Y 4.5242 7.3766 115.4773 56.0413 39.2574 175.9102 155 G 3.9120 8.0301 107.8655 45.6475 0.0000 174.1140 156 F 4.2603 6.7774 113.6411 57.5578 39.4933 176.4172 157 E 4.1127 8.8406 123.8533 59.3523 29.9714 177.8729 158 T 4.1923 7.9120 115.2602 64.5317 69.6440 172.9036 159 E 5.1913 9.0933 125.0260 54.8696 32.5773 174.9725 160 I 4.6220 9.4791 124.7898 60.4776 39.2122 174.8778 161 I 4.4002 8.9554 128.6982 59.2093 38.7452 174.9654 162 A 4.0089 8.8649 130.7810 52.4940 19.4060 176.1318 163 A 4.4823 8.4881 123.7383 49.6825 23.0793 175.2632 164 S 3.6258 7.6026 109.4168 59.3261 60.6461 171.8655 165 I 4.4184 7.4025 119.0518 60.4546 38.2165 176.4589 166 R 4.5512 8.4315 122.8299 56.6361 32.3640 175.0196 167 H 4.7588 7.3333 111.1751 52.6332 31.1619 172.6258 168 P 4.2414 0.0000 0.0000 66.1221 30.9879 178.9161 169 M 4.1475 8.1514 117.0494 58.4052 31.8377 178.1024 170 H 4.2079 7.9515 116.4818 58.9920 28.8053 177.9119 171 V 3.5293 7.6795 119.2467 65.9480 31.4035 178.0897 172 V 3.5435 7.7707 117.9646 66.1245 31.5441 177.8641 173 E 3.9359 8.7639 118.5043 59.2734 29.2652 179.1907 174 A 3.9610 8.2483 120.7447 55.1119 18.5195 179.5756 175 A 3.9315 8.2780 119.5438 55.3086 18.2279 179.9197 176 L 4.0066 8.1117 117.1331 57.4933 41.7642 178.7246 177 M 4.3286 7.8581 114.5725 55.0117 31.9039 176.2250 178 G 3.7317 7.8322 107.7385 46.3620 0.0000 174.2764 179 V 3.7429 7.5354 118.3248 62.5221 32.5771 175.5675 180 D 4.6292 8.7740 125.4635 57.1804 41.7748 176.3638 181 I 4.9750 7.9535 117.8372 59.5037 42.0598 174.6404 182 V 4.6147 8.4498 118.5974 59.7617 34.5358 174.3420 183 T 5.1490 8.3739 120.8769 60.6370 68.7938 173.4796 184 M 4.9626 8.8675 124.9749 52.7828 35.5160 173.0730 185 P 4.6537 0.0000 0.0000 62.5447 32.4567 177.3677 186 F 4.3554 9.1314 122.6106 61.5996 39.1292 177.1870 187 A 3.8585 8.2539 119.8724 55.3321 17.8334 179.6947 188 V 3.4977 7.6318 114.9931 65.9090 32.1016 177.3446 189 L 4.1116 7.7633 119.8352 58.4198 41.7916 178.6614 190 E 3.7643 8.1149 118.5727 59.5102 29.3252 179.5188 191 K 3.9292 7.7882 118.2766 59.5808 31.8798 179.3126 192 L 3.9581 7.5236 117.6680 57.6792 41.4959 179.2950 193 F 3.9406 7.9570 117.3307 58.7576 39.1692 175.7760 194 K 4.4924 7.4947 117.6121 55.6952 33.5066 176.2062 195 H 4.7224 8.3020 120.5850 53.2344 33.9463 172.7896 196 P 4.2791 0.0000 0.0000 66.3796 31.0024 178.6708 197 M 4.1814 8.1840 117.8750 58.1326 31.9660 178.6238 198 T 3.8624 7.9422 115.7333 66.7709 68.7128 176.1634 199 D 4.3850 7.9942 120.3015 57.3592 40.7461 178.9119 200 L 4.1122 8.1016 119.7019 57.6390 41.3900 179.6956 201 G 3.6356 8.1194 104.9307 47.9393 0.0000 175.4717 202 I 3.8931 7.9107 122.2548 64.1241 36.8035 178.3761 203 E 3.9978 8.2200 119.4898 59.3459 29.1455 179.0011 204 R 4.2190 8.2041 119.0344 59.1304 30.1251 178.2268 *205 F 3.9642 7.8159 119.0742 62.0790 37.8822 180.4287 206 M 4.3227 7.8894 122.3617 55.9003 31.8743 176.7695 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 0 H 8.44 4.72 0.00 3.31 3.46 0.00 5.51 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.53 4.21 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.59 0.00 2 K 9.64 4.86 0.00 1.53 1.78 0.00 1.92 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.65 7.81 3 I 8.95 4.95 2.19 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.66 1.02 0.00 0.00 4 F 9.05 5.58 0.00 2.89 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.45 5.19 0.00 1.66 1.64 1.11 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 6 D 9.10 5.12 0.00 2.51 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 7 T 7.82 4.48 4.35 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 1.19 0.00 0.00 8 A 8.56 4.58 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.75 4.85 0.00 2.67 2.74 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.55 4.08 0.00 1.70 1.62 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 *11 E 8.66 3.99 0.00 1.94 1.95 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 2.24 2.19 0.00 12 E 7.95 3.30 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.07 0.00 13 I 7.56 3.67 1.91 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 1.32 0.56 0.85 0.00 0.00 14 K 8.12 3.84 0.00 1.74 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.36 7.81 15 K 7.93 3.60 0.00 1.43 0.74 0.00 1.40 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.10 1.27 7.81 16 G 7.94 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 17 V 7.95 3.70 2.03 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 1.01 0.00 0.00 1.01 0.00 0.00 18 E 8.34 3.94 0.00 2.06 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 2.35 2.24 0.00 19 W 8.20 4.76 0.00 3.79 3.29 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 20 G 8.22 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 21 I 7.96 4.46 2.18 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 1.15 0.77 1.12 0.00 0.00 22 V 7.96 4.56 2.19 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 0.94 0.00 0.00 1.12 0.00 0.00 23 D 9.20 4.80 0.00 2.91 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 24 G 7.32 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.78 5.05 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 1.03 0.00 0.00 0.85 0.00 0.00 26 T 9.22 4.89 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 1.35 0.00 0.00 *27 T 8.30 5.18 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 1.21 0.00 0.00 28 N 8.20 5.10 0.00 3.11 2.97 0.00 0.00 6.74 7.76 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 29 P 0.00 4.36 0.00 2.19 2.16 0.00 3.73 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 2.13 2.16 0.00 *30 T 8.31 3.88 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 1.21 0.00 0.00 31 L 8.34 4.21 0.00 1.75 1.82 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 *32 I 7.75 3.79 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 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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 0.00 111 S 7.75 4.78 0.00 4.03 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 0.00 112 P 0.00 4.30 0.00 2.34 2.40 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.29 0.00 113 A 7.99 3.99 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 0.00 114 Q 8.09 3.94 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 115 A 7.94 4.10 1.33 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 0.00 116 I 7.86 3.53 2.07 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.97 0.88 0.00 0.00 117 L 7.75 3.87 0.00 1.84 1.68 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.10 3.93 1.39 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 0.00 119 A 7.49 4.06 0.02 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 0.00 120 K 7.59 3.79 0.00 1.73 1.80 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.44 7.81 121 A 8.10 4.19 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 0.00 122 G 7.64 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.40 4.22 1.39 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 0.00 124 T 8.57 3.98 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 0.47 0.00 0.00 125 Y 8.57 5.50 0.00 2.99 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 0.00 126 V 8.91 4.88 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 0.85 0.00 0.00 1.07 0.00 0.00 127 S 9.02 5.63 0.00 3.85 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 0.00 128 P 0.00 4.49 0.00 2.00 1.90 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 129 F 8.79 4.61 0.00 2.26 3.04 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 0.00 130 V 8.82 3.65 2.03 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 0.72 0.00 0.00 0.82 0.00 0.00 131 G 8.29 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 0.00 0.00 0.00 132 R 7.89 4.13 0.00 2.25 2.30 0.00 3.76 0.00 0.00 3.43 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.96 0.00 133 M 8.08 4.33 0.00 2.16 2.46 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 3.14 0.00 134 D 8.47 4.45 0.00 3.02 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 0.00 135 D 7.94 4.46 0.00 2.86 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 0.00 136 L 7.77 4.24 0.00 1.83 1.70 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 137 S 7.88 4.04 0.00 4.13 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 0.00 138 N 7.63 4.61 0.00 2.93 2.90 0.00 0.00 6.81 7.94 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 0.00 139 D 8.05 4.43 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 10.19 3.64 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 0.00 141 M 8.25 4.11 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.85 0.00 142 R 8.28 3.88 0.00 2.23 2.09 0.00 3.16 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 143 M 7.79 4.05 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.72 0.00 144 L 8.12 4.01 0.00 1.84 1.77 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.22 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.31 4.05 0.00 2.23 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 2.35 2.56 0.00 147 I 7.60 3.68 1.85 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 1.35 0.77 0.33 0.00 0.00 148 V 7.82 3.52 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.88 0.00 0.00 149 E 8.21 3.92 0.00 2.29 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 2.31 2.40 0.00 150 I 8.01 3.86 2.29 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.73 1.46 0.00 0.00 151 Y 8.83 4.49 0.00 3.11 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 0.00 152 N 8.39 4.41 0.00 2.84 2.86 0.00 0.00 7.05 7.82 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 0.00 153 N 7.97 4.23 0.00 2.12 2.06 0.00 0.00 6.89 6.83 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 0.00 154 Y 7.38 4.52 0.00 1.76 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 0.00 0.00 0.00 155 G 8.03 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 F 6.78 4.26 0.00 2.51 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 0.00 157 E 8.84 4.11 0.00 1.94 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 2.34 2.28 0.00 158 T 7.91 4.19 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 1.40 0.00 0.00 159 E 9.09 5.19 0.00 2.06 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 2.32 2.42 0.00 160 I 9.48 4.62 1.82 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 0.81 0.53 0.79 0.00 0.00 161 I 8.96 4.40 1.80 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.91 0.74 0.00 0.00 162 A 8.86 4.01 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 0.00 163 A 8.49 4.48 0.77 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 0.00 0.00 164 S 7.60 3.63 0.00 3.54 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 0.00 165 I 7.40 4.42 2.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.71 0.88 0.00 0.00 166 R 8.43 4.55 0.00 1.75 1.96 0.00 3.44 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 167 H 7.33 4.76 0.00 3.21 3.33 0.00 5.47 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 P 0.00 4.24 0.00 2.18 2.14 0.00 3.62 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 2.18 0.00 169 M 8.15 4.15 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.55 0.00 170 H 7.95 4.21 0.00 3.24 3.25 0.00 5.64 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 0.00 171 V 7.68 3.53 2.23 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 1.08 0.00 0.00 0.91 0.00 0.00 172 V 7.77 3.54 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 1.05 0.00 0.00 0.91 0.00 0.00 173 E 8.76 3.94 0.00 2.11 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 2.34 2.42 0.00 174 A 8.25 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 A 8.28 3.93 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 0.00 176 L 8.11 4.01 0.00 1.75 1.74 0.91 1.13 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 0.00 177 M 7.86 4.33 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.73 0.00 178 G 7.83 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 179 V 7.54 3.74 2.03 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 0.84 0.00 0.00 0.92 0.00 0.00 180 D 8.77 4.63 0.00 2.89 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 0.00 181 I 7.95 4.98 1.59 0.00 0.00 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 0.86 0.71 -0.26 0.00 0.00 182 V 8.45 4.61 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 0.62 0.00 0.00 0.88 0.00 0.00 183 T 8.37 5.15 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 1.16 0.00 0.00 184 M 8.87 4.96 0.00 2.09 2.09 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 2.54 2.73 0.00 185 P 0.00 4.65 0.00 2.25 2.07 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 186 F 9.13 4.36 0.00 3.19 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 0.00 187 A 8.25 3.86 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 0.00 188 V 7.63 3.50 2.22 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 0.83 0.00 0.00 0.94 0.00 0.00 189 L 7.76 4.11 0.00 1.95 1.89 1.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 190 E 8.11 3.76 0.00 1.96 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 0.00 1.87 1.47 0.00 191 K 7.79 3.93 0.00 1.93 1.85 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.62 7.81 192 L 7.52 3.96 0.00 1.53 1.57 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 193 F 7.96 3.94 0.00 2.87 2.98 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 0.00 194 K 7.49 4.49 0.00 2.13 1.72 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.42 1.23 7.81 195 H 8.30 4.72 0.00 3.13 3.07 0.00 5.68 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 P 0.00 4.28 0.00 2.27 2.25 0.00 3.15 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 1.92 1.95 0.00 197 M 8.18 4.18 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.64 0.00 198 T 7.94 3.86 4.44 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 0.00 0.00 0.00 1.22 0.00 0.00 199 D 7.99 4.38 0.00 2.90 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 0.00 200 L 8.10 4.11 0.00 1.86 1.72 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 201 G 8.12 3.64 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 0.00 202 I 7.91 3.89 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.15 0.92 0.00 0.00 203 E 8.22 4.00 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 204 R 8.20 4.22 0.00 2.22 1.95 0.00 3.39 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.51 0.00 *205 F 7.82 3.96 0.00 2.46 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 0.00 0.00 0.00 0.00 206 M 7.89 4.32 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 * Residues marked with a * may have inaccurate shift predictions.