NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.6470 8.3027 120.1932 56.2062 31.9130 173.7838 3 L 4.9481 8.8615 125.8078 53.0055 45.0239 173.1674 4 Y 5.0112 10.0212 125.7769 56.3272 40.8649 174.1772 5 L 4.7384 8.6816 125.9901 53.3111 43.1757 176.3760 6 I 4.5699 8.7504 125.4290 59.2388 40.2143 175.0914 7 R 4.5453 8.3590 128.1032 55.6351 31.1743 175.5288 8 H 4.3983 8.2574 121.7036 55.9170 29.1962 175.1398 9 G 3.9152 8.7230 108.0944 45.4750 0.0000 173.2693 10 I 3.9538 8.3507 120.1801 61.7519 37.8625 175.8173 11 A 5.0414 8.3973 127.6579 49.3938 21.9946 175.2813 12 E 4.1103 9.1273 118.3600 56.7733 30.6919 177.8072 13 A 4.2294 8.3652 124.9172 51.3854 19.5411 177.4148 14 Q 4.0261 8.1805 118.7961 55.5677 29.4978 176.4910 *19 K 4.0731 8.3903 120.0158 56.4344 33.7138 176.5853 20 D 4.3492 8.5684 122.5561 55.7516 39.2062 177.7534 21 E 4.0867 8.1167 118.8516 57.9491 29.6959 177.2222 22 E 4.2038 7.9953 118.7029 55.8541 30.2379 176.0365 23 R 4.0360 7.4130 117.5921 57.5639 30.6824 176.0837 24 E 4.7953 8.5844 122.0658 54.1601 33.0109 175.2070 25 L 4.6210 9.0889 122.1874 55.1203 42.4251 177.8169 26 T 4.5120 8.4140 112.5723 60.1160 70.2680 175.7900 27 Q 4.0099 8.7069 121.0024 59.2117 28.5371 179.1737 28 E 4.0515 8.2017 118.2161 59.3603 29.7275 179.2528 29 G 3.5987 8.1154 106.6870 47.3572 0.0000 175.9699 30 K 3.9717 8.3961 121.2018 59.2057 32.1604 179.1691 31 Q 3.9419 8.2949 120.1057 59.2980 29.0116 178.5485 32 K 3.9700 8.3708 119.7679 59.8452 31.9682 179.5103 33 T 3.9099 7.8074 115.5200 66.6050 68.2461 176.6123 34 E 3.9971 8.3846 120.6017 59.2646 29.4155 179.5623 35 K 3.9799 8.1090 118.5701 59.4493 32.1141 179.4500 36 V 3.6228 7.8983 118.2534 65.9597 31.4294 177.8691 37 A 4.0171 8.3194 120.6546 55.4262 18.2205 178.9811 38 Y 3.9086 8.3735 118.3147 60.7397 38.9210 178.1554 39 R 3.9792 8.6542 120.1094 59.5686 30.2389 178.4783 40 L 4.0572 8.1746 118.8225 57.7442 41.5850 179.7416 41 V 3.4281 7.6420 118.2428 65.8101 31.2625 178.0862 42 K 3.8962 7.7766 118.0889 58.6922 31.9409 177.6079 43 L 4.4961 7.3964 117.8032 53.7875 41.6502 176.7925 44 G 3.8753 7.6288 105.7621 46.3727 0.0000 174.3004 45 R 4.0669 7.7082 118.3244 55.7815 30.5692 176.2889 46 Q 4.4075 7.9726 120.5808 54.1904 32.0126 174.1621 47 F 5.3207 8.7468 120.4378 55.8818 42.0644 176.1488 48 D 4.6717 9.4024 123.5387 57.1712 41.4168 176.3750 49 L 4.6690 7.4802 115.1725 54.2270 46.4998 173.5367 50 I 4.8058 8.5721 125.5967 59.6663 39.8780 174.5256 51 V 4.9183 8.8090 128.0850 61.5304 33.6326 174.4926 52 T 5.0346 9.0137 121.2159 59.9962 71.2644 172.8946 53 S 4.5445 8.3819 121.1926 57.5764 62.6298 172.8275 54 P 4.3901 0.0000 0.0000 64.6957 31.8003 177.4641 55 L 4.0495 7.7145 120.5188 54.5160 42.8799 177.4906 56 I 3.6403 7.7567 125.0306 64.8719 36.6505 178.4470 57 R 3.8115 8.0480 117.7026 59.3224 29.7730 178.8339 58 A 3.8735 7.7279 119.5627 55.1507 18.5021 179.2487 59 R 3.7988 7.9753 117.2660 59.9686 30.1013 178.7132 60 Q 4.5709 8.1975 119.0255 58.6511 28.6933 178.9900 61 T 3.8256 7.5298 115.6760 66.5788 68.5124 176.5970 62 A 3.9960 8.2512 123.0129 55.2884 18.5011 179.5095 63 E 4.0137 8.5659 117.4086 59.5872 29.5471 179.7340 64 I 3.7763 7.6662 119.4909 64.2234 36.6306 178.4408 65 L 4.0252 7.8096 119.7410 57.6312 41.3918 179.2728 66 L 3.9952 8.4074 120.4055 58.3047 41.8813 178.8852 67 A 4.0203 8.2337 119.8306 55.0589 18.3640 179.1704 68 S 4.3384 7.8716 110.8902 59.5432 61.8555 175.4005 69 G 3.9159 8.2805 111.9525 45.4763 0.0000 175.1798 70 L 4.0427 7.5616 122.3813 57.4246 42.2485 176.4611 71 S 5.0255 7.3883 109.6992 57.6123 65.5407 173.0435 72 C 4.6381 8.6023 119.2966 59.8344 29.4655 174.1247 73 Q 4.8179 8.0313 118.2263 53.7960 32.3325 174.2263 74 L 5.3727 8.5844 123.7312 53.4083 45.1048 175.0356 75 E 4.9865 9.6610 126.7225 54.4634 33.4732 173.7805 76 E 5.1814 8.8516 122.7165 55.0222 32.6292 175.2375 77 S 4.5854 8.8507 115.7398 57.1207 65.5404 174.7864 78 N 4.4034 9.2220 124.8717 56.2857 38.7405 176.8099 79 H 4.3592 8.0838 115.5941 58.5450 28.8674 176.7092 80 L 3.9044 7.8867 117.0810 54.6291 41.9496 176.8050 81 A 4.2099 7.8306 123.1062 50.8747 18.9588 176.9026 82 P 4.0702 0.0000 0.0000 65.0948 31.3735 177.3855 83 N 4.6970 7.9940 113.0543 52.3922 37.6587 175.0566 84 G 4.2469 8.1404 108.6987 44.6305 0.0000 173.2997 85 N 5.2423 8.4764 115.6797 50.1491 41.3459 175.1160 86 I 2.0276 7.7373 122.6473 63.7065 37.8949 178.2176 87 F 4.1588 7.3198 118.0179 60.7451 38.7806 177.2857 88 N 4.3966 8.6023 116.0856 55.7365 38.2652 177.4141 89 W 3.9669 7.8750 130.0257 60.2493 30.8081 178.1569 90 L 3.5509 8.1229 119.2334 57.9178 40.8983 179.2644 91 D 4.1632 7.7148 117.3006 56.1196 40.7303 176.8730 92 Y 4.9214 7.6739 114.2191 57.4638 38.7611 175.0928 93 W 4.5908 7.6728 127.7035 58.2088 33.0465 176.5464 94 L 3.7392 8.0226 119.6237 57.8444 41.6368 178.6729 95 K 3.6666 7.7248 119.3359 59.3391 31.8777 176.8999 96 P 4.1253 0.0000 0.0000 65.3940 31.2533 178.4023 97 K 3.3128 6.9835 116.1416 56.7881 32.6707 176.5348 98 N 3.9385 7.2794 115.8877 54.3677 37.6529 173.9269 99 F 4.5055 7.3532 115.5973 56.6484 40.4603 174.0986 100 P 4.5890 0.0000 0.0000 62.2803 32.0260 177.0583 101 E 3.9892 8.6857 119.6165 59.1090 29.5929 176.9772 102 N 4.6871 8.1067 113.1064 52.6161 37.7379 174.9480 103 A 4.3090 7.5048 121.7233 52.9170 19.0636 177.6048 104 Q 4.8558 9.7115 119.2774 54.5469 32.7173 174.3236 105 I 4.9722 9.1420 125.3979 59.3106 40.5691 174.5767 106 A 4.8953 8.4260 127.7008 50.1024 21.5733 175.5205 107 I 4.6992 8.9798 122.8848 59.3560 40.6798 174.6734 108 V 4.4306 8.6788 128.0627 61.3766 33.0602 173.5961 109 G 3.7765 8.4746 118.2754 45.9858 0.0000 170.6865 110 H 5.1951 8.5634 118.0257 53.9513 32.4827 172.2450 111 E 4.7138 8.2516 119.8433 54.7581 31.1733 174.9760 112 P 4.5935 0.0000 0.0000 63.2844 31.5308 177.5359 113 C 3.7366 7.7886 117.5889 63.3966 27.9771 175.7755 114 L 3.5938 7.6935 120.4257 57.8535 41.2724 179.9807 115 S 4.0828 8.8070 114.3636 61.4269 63.0009 176.2441 116 N 4.6064 8.4285 120.3432 55.7627 38.2122 177.4613 117 W 4.1236 8.6077 120.9000 60.0103 29.0536 178.5444 118 T 3.7689 7.9634 115.6141 66.8337 67.8621 176.4963 119 E 3.2984 8.1070 120.2399 59.1939 29.4310 179.5359 120 I 3.7531 7.8547 119.9493 64.3922 37.0561 178.5190 121 L 4.1346 8.0878 119.9268 57.1927 41.1485 179.4578 122 L 3.9227 7.6793 118.3282 56.6790 42.0111 177.8978 123 W 4.8103 8.3975 115.5580 56.3702 30.4821 177.2032 124 G 4.1067 9.8519 105.9906 44.8555 0.0000 172.6093 125 E 4.7258 7.4860 116.8141 54.8208 32.3377 174.6606 126 A 4.3447 8.5416 126.9606 52.3713 19.0607 177.4979 127 K 4.5583 9.0567 119.1710 54.8305 34.5260 175.8518 128 D 4.4863 8.7476 116.7131 56.0107 37.5120 174.0840 129 S 4.7396 9.4006 111.9359 57.9373 64.3295 173.7741 130 L 4.6365 7.7649 120.9302 53.0341 43.5361 175.8594 131 V 4.0555 8.2330 121.9963 61.1113 32.1352 174.8959 132 L 4.4501 8.1919 129.8356 52.9670 43.0956 176.0886 133 K 4.2361 8.1344 125.6863 55.1643 33.0706 176.8396 134 K 3.9456 8.1878 120.2143 57.9483 32.2117 177.3365 135 A 3.7803 8.5783 125.5498 52.5296 17.3356 178.6194 136 G 3.7336 7.7284 108.7653 45.4400 0.0000 172.6441 *138 I 4.0315 8.1269 118.9482 61.0318 38.8073 174.9788 139 G 3.6826 8.7613 113.9200 44.1655 0.0000 172.1385 140 L 5.0775 8.6181 125.6206 52.5651 45.9612 175.4046 141 K 4.9317 9.4130 123.0300 54.8234 34.5253 174.9659 142 L 5.0342 8.5127 126.9573 52.4028 43.6436 174.9402 143 P 4.4167 0.0000 0.0000 62.5425 31.9735 176.6227 144 E 4.1414 8.7714 122.2936 58.2652 29.9581 177.0193 145 I 4.5166 7.3953 109.8763 59.8140 40.5671 175.6219 146 G 3.8154 8.6895 109.0604 44.6142 0.0000 172.4174 147 S 4.3763 8.1494 113.0360 57.1113 63.0728 172.4752 148 P 4.4187 0.0000 0.0000 63.6982 31.7558 176.0538 149 V 3.6645 7.5912 120.2273 64.2087 31.4253 175.3918 150 G 4.0714 8.8293 115.3732 46.5149 0.0000 173.7044 151 R 4.5435 8.0793 114.7151 55.7265 31.8682 174.9301 152 S 4.8085 8.1682 113.6040 57.9591 65.1356 172.4917 153 Q 4.3258 8.3723 119.5270 55.2225 30.7713 176.2850 *155 F 4.9524 8.6224 115.6249 57.0886 40.0830 175.0590 156 W 5.2683 7.4990 127.3631 56.7503 34.6314 173.1259 157 L 4.5162 8.6236 128.3663 54.4238 44.1222 174.1712 158 T 4.8093 7.8944 120.0434 60.3164 70.4804 171.2283 159 P 4.6198 0.0000 0.0000 60.8877 33.3204 174.9633 160 P 4.2096 0.0000 0.0000 65.7541 30.8715 179.0703 161 R 3.8420 7.7826 113.4498 59.3276 29.4671 177.7564 162 Y 4.7145 7.6123 116.1814 59.7382 38.0685 177.4849 163 L 4.2183 7.5499 121.2325 57.9552 42.3479 178.0510 164 L 4.3814 8.0077 115.7595 53.8692 41.7294 176.9000 165 L 4.1007 7.6205 124.7990 55.4036 42.4098 174.2488 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 E 8.30 4.65 0.00 2.15 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 2.41 2.38 0.00 3 L 8.86 4.95 0.00 1.79 1.46 1.21 0.84 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 4 Y 10.02 5.01 0.00 2.64 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.68 4.74 0.00 1.31 1.40 0.85 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.75 4.57 1.74 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 1.02 0.83 0.85 0.00 0.00 7 R 8.36 4.55 0.00 1.74 1.75 0.00 3.01 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.31 0.00 8 H 8.26 4.40 0.00 3.28 3.18 0.00 5.81 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.72 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 10 I 8.35 3.95 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.61 0.89 0.00 0.00 11 A 8.40 5.04 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 12 E 9.13 4.11 0.00 1.83 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 2.60 2.42 0.00 13 A 8.37 4.23 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 0.00 0.00 0.00 0.00 0.00 14 Q 8.18 4.03 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.44 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 *19 K 8.39 4.07 0.00 2.31 1.98 0.00 1.49 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.42 7.81 20 D 8.57 4.35 0.00 2.98 2.95 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 21 E 8.12 4.09 0.00 2.07 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 2.36 2.31 0.00 22 E 8.00 4.20 0.00 1.88 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 0.00 2.23 2.24 0.00 23 R 7.41 4.04 0.00 1.66 1.83 0.00 3.41 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 24 E 8.58 4.80 0.00 1.88 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 2.28 2.44 0.00 25 L 9.09 4.62 0.00 1.46 1.58 0.90 0.96 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 26 T 8.41 4.51 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 1.24 0.00 0.00 27 Q 8.71 4.01 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 28 E 8.20 4.05 0.00 2.17 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 0.00 2.34 2.36 0.00 29 G 8.12 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.40 3.97 0.00 1.89 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.74 7.81 31 Q 8.29 3.94 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 32 K 8.37 3.97 0.00 1.83 1.82 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.64 7.81 33 T 7.81 3.91 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 34 E 8.38 4.00 0.00 2.20 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 2.35 2.65 0.00 35 K 8.11 3.98 0.00 2.06 1.88 0.00 1.52 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.45 7.81 36 V 7.90 3.62 2.26 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 1.01 0.00 0.00 1.03 0.00 0.00 37 A 8.32 4.02 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.37 3.91 0.00 3.04 3.13 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 0.00 0.00 0.00 39 R 8.65 3.98 0.00 2.18 2.18 0.00 3.34 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.83 0.00 40 L 8.17 4.06 0.00 1.92 1.65 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.64 3.43 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 0.81 0.00 0.00 0.91 0.00 0.00 42 K 7.78 3.90 0.00 1.67 1.86 0.00 1.56 0.00 0.00 1.41 0.00 0.00 3.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.47 7.81 43 L 7.40 4.50 0.00 1.83 1.61 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.63 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 45 R 7.71 4.07 0.00 1.61 1.35 0.00 3.34 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 46 Q 7.97 4.41 0.00 1.73 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.68 0.00 0.00 0.00 0.00 0.00 2.10 2.23 0.00 47 F 8.75 5.32 0.00 2.96 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 48 D 9.40 4.67 0.00 2.50 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.48 4.67 0.00 1.85 1.55 1.11 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.57 4.81 1.92 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 1.14 0.73 0.88 0.00 0.00 51 V 8.81 4.92 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 0.83 0.00 0.00 1.20 0.00 0.00 52 T 9.01 5.03 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 1.23 0.00 0.00 53 S 8.38 4.54 0.00 3.98 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 54 P 0.00 4.39 0.00 2.21 2.16 0.00 3.79 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 1.96 1.97 0.00 55 L 7.71 4.05 0.00 1.82 1.63 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.76 3.64 2.03 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 1.71 0.83 0.89 0.00 0.00 57 R 8.05 3.81 0.00 1.63 1.65 0.00 2.81 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 58 A 7.73 3.87 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 59 R 7.98 3.80 0.00 2.00 1.93 0.00 3.25 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 60 Q 8.20 4.57 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 61 T 7.53 3.83 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 1.17 0.00 0.00 62 A 8.25 4.00 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 63 E 8.57 4.01 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 2.34 2.62 0.00 64 I 7.67 3.78 2.04 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 1.53 1.23 0.93 0.00 0.00 65 L 7.81 4.03 0.00 1.97 1.82 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.41 4.00 0.00 1.83 1.88 1.04 1.07 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 67 A 8.23 4.02 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 68 S 7.87 4.34 0.00 4.10 4.05 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 0.00 0.00 0.00 69 G 8.28 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 70 L 7.56 4.04 0.00 2.00 1.78 0.83 0.90 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 71 S 7.39 5.03 0.00 4.09 3.80 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 72 C 8.60 4.64 0.00 3.03 2.99 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 73 Q 8.03 4.82 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 74 L 8.58 5.37 0.00 1.63 1.54 0.99 0.86 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 75 E 9.66 4.99 0.00 2.17 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 2.41 2.42 0.00 76 E 8.85 5.18 0.00 2.09 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 2.22 2.31 0.00 77 S 8.85 4.59 0.00 3.81 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 78 N 9.22 4.40 0.00 2.83 2.88 0.00 0.00 7.13 8.16 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 79 H 8.08 4.36 0.00 3.34 3.62 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.89 3.90 0.00 1.60 1.44 0.34 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.83 4.21 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 82 P 0.00 4.07 0.00 1.94 2.01 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 1.79 1.65 0.00 83 N 7.99 4.70 0.00 2.84 2.91 0.00 0.00 6.01 7.00 0.00 0.00 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 G 8.14 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 0.00 0.00 0.00 0.00 85 N 8.48 5.24 0.00 3.05 3.00 0.00 0.00 5.56 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 86 I 7.74 2.03 0.56 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.37 -0.37 0.00 0.00 87 F 7.32 4.16 0.00 3.27 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 88 N 8.60 4.40 0.00 2.94 3.23 0.00 0.00 6.68 7.83 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 89 W 7.88 3.97 0.00 3.26 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 90 L 8.12 3.55 0.00 1.75 1.56 0.83 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 91 D 7.71 4.16 0.00 1.59 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 0.00 0.00 0.00 92 Y 7.67 4.92 0.00 3.18 2.99 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 93 W 7.67 4.59 0.00 3.32 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.02 3.74 0.00 0.86 1.39 1.14 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.72 3.67 0.00 1.79 1.65 0.00 1.63 0.00 0.00 1.58 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.55 7.81 96 P 0.00 4.13 0.00 1.80 1.97 0.00 3.61 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 97 K 6.98 3.31 0.00 0.86 0.74 0.00 1.11 0.00 0.00 1.00 0.00 0.00 2.34 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.30 0.21 7.81 98 N 7.28 3.94 0.00 2.63 2.61 0.00 0.00 7.25 6.43 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 99 F 7.35 4.51 0.00 3.11 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.59 0.00 2.50 2.25 0.00 3.99 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.04 0.00 101 E 8.69 3.99 0.00 1.97 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 2.32 2.50 0.00 102 N 8.11 4.69 0.00 2.89 2.92 0.00 0.00 5.97 7.26 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 0.00 103 A 7.50 4.31 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 0.00 104 Q 9.71 4.86 0.00 2.10 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.68 2.62 0.00 105 I 9.14 4.97 1.95 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.39 1.15 0.00 0.00 106 A 8.43 4.90 0.07 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 0.00 107 I 8.98 4.70 1.65 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.64 0.48 0.00 0.00 108 V 8.68 4.43 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 0.90 0.00 0.00 0.82 0.00 0.00 109 G 8.47 3.78 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.96 3.77 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 0.98 0.00 0.00 119 E 8.11 3.30 0.00 2.17 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 1.96 2.43 0.00 120 I 7.85 3.75 1.89 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 1.55 1.11 0.76 0.00 0.00 121 L 8.09 4.13 0.00 1.76 1.68 0.98 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.68 3.92 0.00 0.57 1.08 0.40 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 123 W 8.40 4.81 0.00 3.52 3.07 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 0.00 124 G 9.85 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 0.00 125 E 7.49 4.73 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 126 A 8.54 4.34 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 0.00 127 K 9.06 4.56 0.00 1.86 2.34 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.52 7.81 128 D 8.75 4.49 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 0.00 129 S 9.40 4.74 0.00 4.05 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 0.00 130 L 7.76 4.64 0.00 1.60 1.57 0.75 0.91 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 0.00 131 V 8.23 4.06 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 0.76 0.00 0.00 0.93 0.00 0.00 132 L 8.19 4.45 0.00 1.47 1.42 0.72 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.13 4.24 0.00 1.72 1.61 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.30 7.81 134 K 8.19 3.95 0.00 1.66 1.78 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.33 7.81 135 A 8.58 3.78 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 0.00 136 G 7.73 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 *138 I 8.13 4.03 1.69 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.51 0.71 0.00 0.00 139 G 8.76 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.62 5.08 0.00 1.44 1.48 0.85 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 141 K 9.41 4.93 0.00 1.96 1.75 0.00 1.55 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.41 7.81 142 L 8.51 5.03 0.00 1.60 1.61 0.98 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 143 P 0.00 4.42 0.00 2.16 2.00 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.26 0.00 144 E 8.77 4.14 0.00 2.07 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 2.30 2.31 0.00 145 I 7.40 4.52 1.87 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 1.35 0.85 0.91 0.00 0.00 146 G 8.69 3.82 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 0.00 0.00 0.00 147 S 8.15 4.38 0.00 3.84 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 0.00 148 P 0.00 4.42 0.00 2.29 2.30 0.00 3.75 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 2.08 1.96 0.00 149 V 7.59 3.66 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 0.89 0.00 0.00 1.04 0.00 0.00 150 G 8.83 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 0.00 151 R 8.08 4.54 0.00 1.77 1.87 0.00 3.27 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 152 S 8.17 4.81 0.00 3.95 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.37 4.33 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.47 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 *155 F 8.62 4.95 0.00 3.08 3.27 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 0.00 156 W 7.50 5.27 0.00 3.39 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 0.00 157 L 8.62 4.52 0.00 1.60 1.49 0.88 0.83 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 0.00 158 T 7.89 4.81 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 0.58 0.00 0.00 159 P 0.00 4.62 0.00 2.04 2.02 0.00 3.95 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 1.66 1.66 0.00 160 P 0.00 4.21 0.00 2.11 2.10 0.00 3.49 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 161 R 7.78 3.84 0.00 1.82 1.92 0.00 2.75 0.00 0.00 2.98 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.78 0.00 162 Y 7.61 4.71 0.00 3.07 2.99 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 0.00 163 L 7.55 4.22 0.00 1.81 1.76 0.87 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 164 L 8.01 4.38 0.00 1.69 1.72 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 165 L 7.62 4.10 0.00 1.83 1.68 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.