NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 D 4.7031 8.2227 120.5519 53.5991 43.2801 176.4901 25 S 3.9253 8.3329 115.1661 60.8540 62.0547 173.5564 26 P 4.0973 0.0000 0.0000 65.5419 31.5124 178.2770 27 I 3.4844 7.4506 118.0844 64.3299 37.1079 178.3637 28 I 3.6780 8.0187 120.9822 64.4414 36.9357 178.4011 29 E 3.9558 8.9435 120.0798 59.2511 29.2118 179.3252 30 A 3.9561 8.1813 120.9044 55.4325 18.5396 179.5770 31 N 4.3867 8.2953 115.0599 56.0921 38.5264 178.0597 32 G 3.6064 8.1278 107.5172 48.1585 0.0000 176.0439 33 T 4.1470 7.9793 118.3652 66.2530 68.3563 177.0085 34 L 4.0806 8.2489 121.2898 57.6583 41.6176 179.0122 35 D 4.3386 8.4109 118.3133 57.3651 41.1207 178.1338 36 E 4.0576 8.3084 119.1310 59.2448 29.4633 178.9619 37 L 4.0635 8.3265 120.7376 58.7506 42.1903 179.1403 38 T 3.9803 8.3146 112.8948 64.9880 67.2329 176.4303 39 S 4.1176 8.2522 117.5476 61.5549 62.7725 176.5451 40 F 4.0917 8.5445 120.6983 60.5429 38.6474 177.8588 41 I 3.9259 8.3118 119.8295 64.3271 36.6738 178.7366 42 G 3.6722 8.1539 105.9078 47.3616 0.0000 175.1642 43 E 4.2642 8.0696 120.9726 59.2191 29.7833 178.5939 44 A 4.2186 8.5204 121.3380 54.8414 18.1973 179.5124 45 K 4.0329 8.0921 116.4667 59.8211 32.6144 178.1216 46 H 4.5073 7.8038 115.7984 56.6095 28.9490 174.9978 47 Y 4.4214 8.0916 117.6418 57.7195 39.1129 175.7814 48 V 4.3043 7.4820 112.9080 59.2998 34.1009 175.0991 49 D 4.7040 8.1691 121.1597 52.8229 41.5507 176.8571 50 E 3.9395 8.6828 118.7158 59.6806 29.4383 179.3295 51 E 3.9741 8.1972 118.6067 59.7105 29.7511 178.6859 52 M 4.1913 9.0601 119.1009 58.0431 31.9953 178.6294 53 K 4.0518 8.4693 120.4250 59.3804 32.3309 179.1348 54 G 3.6671 8.1780 106.0683 47.7794 0.0000 175.7180 55 I 4.0927 7.7771 121.8809 64.3858 37.2208 178.5579 56 L 4.1672 8.3509 120.0064 57.9589 41.5111 179.5186 57 E 4.0714 8.4824 118.5279 59.2695 29.3553 179.2279 58 E 3.9221 8.2895 118.9698 59.3049 29.3567 179.3509 59 I 4.1284 7.9411 121.3431 63.9922 37.1275 178.4667 60 Q 4.0676 8.2625 119.0103 59.0058 28.5032 178.5796 61 N 4.3443 8.0375 117.3527 56.4201 38.5361 177.2169 62 D 4.1944 8.1094 120.2541 57.4037 40.7809 178.9319 63 I 3.6817 8.1193 120.6445 64.3347 37.0592 177.7790 64 Y 4.0941 8.1605 120.5785 60.7603 38.6378 178.4807 65 K 3.8298 8.0204 119.3540 59.3043 32.1264 179.4925 66 I 3.6186 7.7133 120.1848 64.6893 37.0633 178.4187 67 M 4.6276 7.7842 121.3242 57.6453 31.6326 179.1372 68 G 3.3281 7.7036 105.9660 47.5412 0.0000 175.3940 69 E 4.3110 7.6979 122.8593 58.5377 29.7236 179.0035 70 I 3.6907 7.7552 119.8812 64.3762 37.0003 178.8054 71 G 3.6515 8.4586 105.4561 46.6268 0.0000 174.7468 72 S 4.5696 7.7371 114.3822 56.8041 63.4109 174.2087 73 K 3.4760 9.0236 120.4219 57.7398 29.9498 176.1379 74 G 4.0633 8.5007 108.4195 45.4947 0.0000 175.8881 75 K 4.0092 7.7090 118.6521 59.0307 32.3633 177.3891 76 I 4.2411 8.1156 120.1833 59.2911 38.2750 175.0392 77 E 4.1404 8.7104 126.0359 56.4342 30.5507 177.2019 78 G 4.0757 8.1463 115.7644 44.7711 0.0000 173.2165 79 I 3.9568 8.0219 114.8533 60.3940 38.8592 175.8181 80 S 4.5689 8.1781 116.4442 57.2021 64.6083 174.7150 81 E 4.0309 8.7067 121.3092 59.5327 29.1786 178.7760 82 E 4.0939 7.8449 118.4337 59.4525 29.4212 179.5168 83 R 4.1614 8.1890 118.2889 59.2136 30.0398 179.1159 84 I 3.9177 7.9519 119.2266 64.5215 37.2501 178.4201 85 K 4.2584 8.1483 120.6037 58.5210 31.8398 179.2192 86 W 4.2044 8.4638 128.7444 60.4743 30.6307 178.0406 87 L 3.5318 8.1599 118.8980 57.8484 40.5430 179.3891 88 E 4.0461 8.4672 118.7123 59.2561 29.2984 179.7784 89 G 3.5372 8.0179 105.9089 47.7789 0.0000 175.8897 90 L 3.8435 7.4390 121.0212 57.2165 41.5026 179.6946 91 I 3.7608 8.0142 120.3303 64.4949 36.8387 178.5824 92 S 4.0852 8.0550 115.0928 61.7256 62.9406 176.2501 93 R 3.7988 7.8379 121.2541 59.9361 29.6971 178.1968 94 Y 4.2464 7.9824 116.2615 60.7956 37.6987 178.4260 95 E 4.0604 8.2326 118.7760 58.7910 29.5572 178.3523 96 E 4.2196 8.1118 117.4739 58.1030 29.8171 177.6311 97 M 4.4880 8.0286 117.2522 54.2172 32.8833 175.8327 98 V 4.3229 7.4374 118.6710 61.2741 32.9576 175.1118 99 N 4.9312 8.5249 126.5713 53.1481 39.1881 176.1709 *101 K 4.5317 8.0878 118.8899 55.9307 34.2786 176.5559 102 S 4.4149 7.8133 112.9064 57.4076 65.0406 173.1159 103 F 3.9683 7.9036 117.9678 59.0368 35.8625 176.2221 104 V 4.4950 7.6003 117.7971 59.7205 34.0352 175.1493 105 L 4.4044 8.4468 124.1115 52.8697 42.6316 174.9340 106 P 4.3401 0.0000 0.0000 64.1284 32.0970 175.8309 107 G 3.7960 8.7681 107.3695 46.4044 0.0000 175.1966 108 G 3.7672 8.4716 109.2061 47.8219 0.0000 174.2543 109 T 4.7198 7.9274 108.9421 58.5984 73.3886 174.6238 110 L 3.8731 8.3630 122.6347 58.3627 41.8275 178.8972 111 E 3.9581 8.1426 118.1289 59.6009 29.4539 179.4715 112 S 4.0589 8.1964 113.8849 61.1898 62.9299 176.2581 113 A 3.9101 8.1146 124.5534 54.9112 18.0794 179.6285 114 K 3.8017 7.8207 116.6498 59.7074 32.0282 179.5985 115 L 4.0217 7.6208 118.9554 57.8009 41.5199 179.2593 116 D 4.3355 8.2677 119.2112 57.1808 40.8224 178.9860 117 V 3.4392 7.9236 118.8824 66.2214 31.4668 177.8714 118 C 4.0796 7.9736 116.4432 62.6776 27.9198 175.9423 119 R 3.8954 8.2853 120.9020 59.8308 29.6486 178.7283 120 T 3.8900 7.8261 109.3664 64.8373 68.7004 176.6482 121 I 3.6834 7.6615 122.1702 63.9302 37.0092 178.1938 122 A 4.0390 8.3596 122.1611 55.2729 18.0634 179.9427 123 R 3.8624 8.0161 116.6324 59.2411 30.0565 179.3047 124 R 3.8914 7.8391 118.1312 59.1801 29.9927 178.3856 125 A 3.9956 8.1333 120.7832 54.9685 18.3974 178.9415 126 E 3.8875 8.3760 117.9882 59.7959 29.5359 179.4089 127 R 4.0498 7.7672 117.7269 59.2701 29.9829 179.2683 128 K 4.0095 8.0354 118.3368 59.4638 31.9487 179.6218 129 V 3.6326 8.2384 118.5702 65.5533 31.4076 177.8974 130 A 4.0181 8.1674 120.8490 55.5047 18.1220 179.7310 131 T 3.8650 7.7585 114.1912 66.6935 68.5007 177.1021 132 V 3.7302 7.5519 120.3325 65.9238 31.4959 177.7667 133 L 4.6914 8.2497 121.7972 57.6209 41.6825 178.8679 134 R 3.8684 7.9089 117.3825 59.7258 30.2292 178.0872 135 E 4.1218 8.5089 116.6581 57.8628 29.7101 177.4393 136 F 4.5260 8.7286 115.5694 56.1786 41.2580 176.3148 137 G 3.9580 8.6337 108.3346 45.5801 0.0000 173.0068 138 I 4.5231 7.6305 111.9067 59.6860 40.4900 175.6540 139 G 3.6559 8.7155 107.8032 46.4224 0.0000 175.7188 140 K 3.9005 8.2603 121.3958 59.5064 32.2016 178.4231 141 E 4.0475 8.1887 118.0753 59.2132 29.3453 178.9836 142 A 4.0240 7.9860 120.4835 54.9827 18.4875 179.1532 143 L 3.9167 8.1907 118.9799 58.4422 42.2033 179.4545 144 V 3.6202 7.5423 117.3008 66.0012 30.9586 177.2063 145 Y 4.0181 8.2864 119.3452 60.9137 38.5647 178.2555 146 L 4.1677 8.5002 120.1386 57.6181 41.4099 178.9799 147 N 4.5633 8.2072 118.3679 56.4478 38.9659 177.2846 148 R 4.0996 8.0798 119.2331 58.7752 29.9753 178.7287 149 L 3.7889 8.0015 121.1667 58.1520 42.0790 179.2320 150 S 4.1134 7.8282 114.2507 61.5424 62.9086 176.2375 151 D 4.3576 7.5267 122.5246 56.9794 40.4733 178.5060 152 L 3.9235 7.8474 120.9025 58.1360 42.1556 178.9305 153 L 3.9520 8.1339 119.1895 57.6523 41.5298 179.2966 154 F 4.0835 8.3186 120.5282 61.3460 39.2888 177.2220 155 L 3.8183 7.9051 118.3603 57.7023 41.4086 179.4766 156 L 3.4872 8.0703 119.1121 57.4318 41.4353 179.4900 157 A 3.8224 7.7788 120.6225 55.2300 18.2666 179.9322 158 R 3.6551 7.5068 116.5570 59.1946 29.9465 179.4704 159 V 3.5297 7.8988 118.4274 66.0053 31.4901 178.0844 160 I 3.6547 7.5516 119.4646 64.4574 36.8495 178.3360 161 E 3.9302 7.9242 118.9259 59.3063 29.2913 179.3882 162 I 3.6663 7.9998 120.1802 64.5685 36.9985 178.3445 163 E 3.9931 8.2022 118.1858 59.3618 29.2523 179.3424 164 K 4.1364 8.0567 118.5440 59.4746 31.8806 179.1375 165 N 4.3472 8.1727 115.9657 56.3110 38.5356 177.1536 166 K 4.0591 7.8076 118.8040 59.2873 32.2085 177.0001 167 L 4.1974 7.4967 122.3142 54.9517 41.6288 176.5433 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 24 D 8.22 4.70 0.00 2.75 2.75 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 25 S 8.33 3.93 0.00 3.99 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.10 0.00 2.37 2.19 0.00 3.80 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 27 I 7.45 3.48 1.83 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 0.71 0.47 0.80 0.00 0.00 28 I 8.02 3.68 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 1.75 0.88 0.90 0.00 0.00 29 E 8.94 3.96 0.00 2.03 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 2.34 2.48 0.00 30 A 8.18 3.96 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 31 N 8.30 4.39 0.00 2.95 2.85 0.00 0.00 6.98 7.16 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 32 G 8.13 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 0.00 0.00 0.00 33 T 7.98 4.15 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 1.26 0.00 0.00 34 L 8.25 4.08 0.00 1.84 1.74 0.96 1.04 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 35 D 8.41 4.34 0.00 2.98 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 36 E 8.31 4.06 0.00 2.38 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 0.00 2.42 2.64 0.00 37 L 8.33 4.06 0.00 1.87 1.97 1.01 0.68 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 38 T 8.31 3.98 4.32 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 1.36 0.00 0.00 39 S 8.25 4.12 0.00 4.04 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 40 F 8.54 4.09 0.00 3.33 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.31 3.93 2.10 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 1.54 1.12 0.99 0.00 0.00 42 G 8.15 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 0.00 0.00 0.00 43 E 8.07 4.26 0.00 2.07 2.20 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 2.50 2.44 0.00 44 A 8.52 4.22 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.09 4.03 0.00 1.92 2.06 0.00 1.56 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.20 7.81 46 H 7.80 4.51 0.00 2.94 3.17 0.00 5.62 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 8.09 4.42 0.00 3.13 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.48 4.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.02 0.00 0.00 49 D 8.17 4.70 0.00 2.96 2.83 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 50 E 8.68 3.94 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 51 E 8.20 3.97 0.00 2.08 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 0.00 2.48 2.47 0.00 52 M 9.06 4.19 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.54 0.00 53 K 8.47 4.05 0.00 1.92 1.99 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.53 7.81 54 G 8.18 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 0.00 0.00 0.00 55 I 7.78 4.09 2.16 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 1.74 1.16 1.04 0.00 0.00 56 L 8.35 4.17 0.00 1.87 1.79 0.97 1.27 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 57 E 8.48 4.07 0.00 2.17 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 2.34 2.62 0.00 58 E 8.29 3.92 0.00 2.26 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 2.16 2.51 0.00 59 I 7.94 4.13 2.26 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.80 1.14 0.00 0.00 60 Q 8.26 4.07 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.69 0.00 61 N 8.04 4.34 0.00 2.87 2.80 0.00 0.00 7.02 7.90 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 62 D 8.11 4.19 0.00 2.78 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 63 I 8.12 3.68 2.08 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.02 1.00 0.00 0.00 64 Y 8.16 4.09 0.00 3.09 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 65 K 8.02 3.83 0.00 1.93 1.75 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.71 7.81 66 I 7.71 3.62 1.94 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 1.40 0.90 0.88 0.00 0.00 67 M 7.78 4.63 0.00 1.95 2.12 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.51 0.00 68 G 7.70 3.33 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 69 E 7.70 4.31 0.00 1.98 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 2.26 2.17 0.00 70 I 7.76 3.69 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.76 0.82 0.00 0.00 71 G 8.46 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 0.00 0.00 0.00 72 S 7.74 4.57 0.00 3.99 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.02 3.48 0.00 1.91 1.93 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.18 1.28 7.81 74 G 8.50 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.71 4.01 0.00 1.83 1.88 0.00 1.54 0.00 0.00 1.97 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.46 7.81 76 I 8.12 4.24 1.97 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 1.14 1.29 0.83 0.00 0.00 77 E 8.71 4.14 0.00 1.90 1.83 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 2.27 2.30 0.00 78 G 8.15 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 79 I 8.02 3.96 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.60 0.69 0.00 0.00 80 S 8.18 4.57 0.00 4.03 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 81 E 8.71 4.03 0.00 2.13 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 2.41 2.52 0.00 82 E 7.84 4.09 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 83 R 8.19 4.16 0.00 2.06 2.17 0.00 3.26 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 84 I 7.95 3.92 2.15 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 1.86 0.82 0.97 0.00 0.00 85 K 8.15 4.26 0.00 2.12 1.94 0.00 1.90 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.56 7.81 86 W 8.46 4.20 0.00 3.53 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 87 L 8.16 3.53 0.00 1.87 1.52 -0.14 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.47 4.05 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 89 G 8.02 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 90 L 7.44 3.84 0.00 1.53 1.66 -0.12 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 91 I 8.01 3.76 1.97 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 1.50 0.68 0.91 0.00 0.00 92 S 8.06 4.09 0.00 3.91 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 93 R 7.84 3.80 0.00 1.73 1.63 0.00 2.21 0.00 0.00 2.71 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.40 0.00 94 Y 7.98 4.25 0.00 3.12 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 95 E 8.23 4.06 0.00 2.17 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 2.56 2.47 0.00 96 E 8.11 4.22 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 97 M 8.03 4.49 0.00 2.03 2.30 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 98 V 7.44 4.32 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 0.81 0.00 0.00 0.96 0.00 0.00 99 N 8.52 4.93 0.00 2.75 2.81 0.00 0.00 7.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *101 K 8.09 4.53 0.00 1.83 2.12 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.52 1.70 7.81 102 S 7.81 4.41 0.00 3.42 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 0.00 103 F 7.90 3.97 0.00 3.24 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.60 4.49 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 0.91 0.00 0.00 0.92 0.00 0.00 105 L 8.45 4.40 0.00 1.67 1.65 0.94 1.11 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 0.00 106 P 0.00 4.34 0.00 2.03 2.00 0.00 3.81 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 2.04 2.14 0.00 107 G 8.77 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 0.00 0.00 0.00 108 G 8.47 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 0.00 0.00 0.00 109 T 7.93 4.72 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 0.00 110 L 8.36 3.87 0.00 1.77 1.72 0.79 0.98 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 0.00 111 E 8.14 3.96 0.00 2.10 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 2.51 2.69 0.00 112 S 8.20 4.06 0.00 4.06 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.11 3.91 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 0.00 114 K 7.82 3.80 0.00 1.86 1.79 0.00 1.46 0.00 0.00 1.13 0.00 0.00 2.17 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 0.99 7.81 115 L 7.62 4.02 0.00 1.77 1.66 0.87 1.00 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 0.00 116 D 8.27 4.34 0.00 2.79 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 0.00 117 V 7.92 3.44 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 0.65 0.00 0.00 0.89 0.00 0.00 118 C 7.97 4.08 0.00 3.21 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.29 3.90 0.00 1.95 2.17 0.00 3.20 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 120 T 7.83 3.89 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 121 I 7.66 3.68 1.92 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.28 0.96 0.00 0.00 122 A 8.36 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.02 3.86 0.00 2.02 1.97 0.00 3.08 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 124 R 7.84 3.89 0.00 1.86 2.05 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 125 A 8.13 4.00 1.43 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 0.00 126 E 8.38 3.89 0.00 2.17 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 2.33 2.39 0.00 127 R 7.77 4.05 0.00 2.03 1.97 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 128 K 8.04 4.01 0.00 1.95 1.86 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.70 1.60 7.81 129 V 8.24 3.63 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 1.12 0.00 0.00 1.01 0.00 0.00 130 A 8.17 4.02 1.43 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 0.00 131 T 7.76 3.87 4.45 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 1.27 0.00 0.00 132 V 7.55 3.73 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 0.90 0.00 0.00 0.88 0.00 0.00 133 L 8.25 4.69 0.00 1.81 1.87 1.01 0.71 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 0.00 134 R 7.91 3.87 0.00 1.99 2.21 0.00 3.32 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 135 E 8.51 4.12 0.00 2.14 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 2.62 2.56 0.00 136 F 8.73 4.53 0.00 3.09 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.63 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 0.00 0.00 0.00 138 I 7.63 4.52 1.87 0.00 0.00 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 1.43 0.74 0.96 0.00 0.00 139 G 8.72 3.66 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 0.00 0.00 0.00 140 K 8.26 3.90 0.00 1.90 1.83 0.00 1.64 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.62 7.81 141 E 8.19 4.05 0.00 2.11 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 2.42 2.47 0.00 142 A 7.99 4.02 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 0.00 143 L 8.19 3.92 0.00 1.91 1.89 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 144 V 7.54 3.62 2.28 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 0.98 0.00 0.00 0.97 0.00 0.00 145 Y 8.29 4.02 0.00 3.28 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 0.00 146 L 8.50 4.17 0.00 1.93 1.77 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 147 N 8.21 4.56 0.00 2.85 3.01 0.00 0.00 6.90 7.23 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 0.00 148 R 8.08 4.10 0.00 1.86 1.84 0.00 3.30 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 149 L 8.00 3.79 0.00 1.54 1.80 0.95 0.87 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 0.00 150 S 7.83 4.11 0.00 4.03 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 D 7.53 4.36 0.00 2.80 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 0.00 152 L 7.85 3.92 0.00 1.67 1.74 0.88 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.13 3.95 0.00 1.87 1.70 0.94 1.19 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 0.00 154 F 8.32 4.08 0.00 3.16 3.22 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 0.00 155 L 7.91 3.82 0.00 1.85 1.64 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 156 L 8.07 3.49 0.00 1.62 1.50 0.82 0.12 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 0.00 157 A 7.78 3.82 1.18 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 0.00 0.00 158 R 7.51 3.66 0.00 1.70 1.77 0.00 2.21 0.00 0.00 2.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.45 0.00 159 V 7.90 3.53 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 1.14 0.00 0.00 0.89 0.00 0.00 160 I 7.55 3.65 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.63 0.89 0.00 0.00 161 E 7.92 3.93 0.00 2.08 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 2.28 2.37 0.00 162 I 8.00 3.67 1.98 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 1.50 0.85 0.91 0.00 0.00 163 E 8.20 3.99 0.00 1.91 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 2.36 2.65 0.00 164 K 8.06 4.14 0.00 2.01 1.85 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.62 7.81 165 N 8.17 4.35 0.00 2.84 2.88 0.00 0.00 7.09 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 K 7.81 4.06 0.00 1.90 1.89 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.75 7.81 167 L 7.50 4.20 0.00 1.76 1.58 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.