NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 G 3.8916 8.2085 109.7361 45.0626 0.0000 174.7064 16 A 3.8124 8.5298 123.2532 53.9952 18.3283 178.5691 17 R 3.2919 8.0838 117.9403 59.5578 30.5102 176.6564 18 D 4.3353 7.8850 118.0591 57.3348 40.7900 178.4077 19 L 3.9684 8.0475 120.7719 58.1436 42.0006 179.0844 20 L 4.0391 8.2659 119.1640 57.7661 41.5079 179.4772 21 L 3.8303 8.0024 119.0319 57.6870 41.4611 179.3638 22 Q 3.9710 8.2715 119.5822 59.4168 29.0019 178.3420 23 T 3.8205 8.1777 116.7181 66.5516 68.2952 176.2465 24 A 3.8798 7.8081 121.3276 55.2406 18.4431 179.0997 25 S 4.0499 7.9661 110.3621 61.7993 62.7653 175.8897 26 N 4.5842 8.3989 119.0555 56.3276 38.2477 177.5559 27 I 3.7001 7.6705 117.0649 62.6144 36.6253 177.7650 *29 R 4.4398 7.8119 118.0545 56.3449 31.0989 176.7529 30 E 4.0741 8.4114 117.2923 58.2649 29.5737 177.8369 31 G 3.8300 8.0316 105.4088 44.8155 0.0000 173.0804 32 D 4.4804 8.1615 118.0662 55.6249 38.2709 173.6707 33 V 4.6073 7.7289 109.1855 59.7555 35.4838 175.6007 34 V 4.3928 8.0890 119.2799 62.0818 31.9818 174.7320 35 D 4.7768 7.7243 115.2015 52.5777 44.4305 173.8425 36 I 4.5763 7.8475 123.2666 58.7661 41.1142 175.4050 37 S 4.4468 8.4465 118.6759 57.1317 63.9331 174.4318 38 L 3.9496 8.5797 130.9885 58.5612 41.9482 179.3159 39 S 4.1308 8.0518 113.4800 61.3985 62.8422 175.9117 40 E 3.9466 8.0492 122.9104 58.7592 29.3785 178.4211 41 L 3.9508 8.1725 120.9335 58.2529 42.0771 179.2146 42 S 4.3780 8.2496 115.6460 60.6585 62.7779 176.2179 43 L 3.9544 7.8409 123.2118 58.1208 41.9705 178.8647 44 R 4.1478 7.9923 117.0764 58.8877 30.1899 178.6992 45 S 4.3600 8.2529 113.1762 58.9752 63.3134 175.5365 46 G 3.9188 7.6428 109.4651 45.6160 0.0000 172.9734 47 L 4.6744 7.5801 120.0538 52.2593 43.6372 175.7097 48 N 4.4929 8.6353 121.1672 53.6941 39.6289 175.9521 49 S 4.1803 8.8400 119.7661 61.4097 62.9247 176.4234 50 A 4.0461 8.8172 125.0810 55.2338 18.0020 179.5472 51 L 4.0535 8.1703 117.6575 57.6310 41.6392 179.7823 52 V 3.8948 7.7817 117.9593 66.0622 31.5373 178.0604 53 K 4.0210 8.2075 118.2572 59.5262 31.6565 178.6461 54 Y 4.0419 7.8248 118.6326 61.1198 38.7926 177.5664 55 Y 3.6979 7.5403 115.9470 59.7314 38.3046 177.0103 56 F 5.0103 8.3287 116.7104 56.1511 40.8038 176.9005 57 G 4.1836 9.9171 111.7132 45.0090 0.0000 172.9105 58 N 4.8306 7.3409 114.7838 50.1678 40.0471 174.6236 59 K 3.8968 8.7590 117.5667 59.7374 32.1258 178.5147 60 A 4.0881 8.0933 120.7778 55.1566 18.3246 179.6777 61 G 4.0709 8.6215 105.6724 47.2282 0.0000 175.7040 62 L 3.2345 7.8941 122.6664 57.7380 42.0521 179.0480 63 L 3.8239 7.8576 118.8832 57.5582 41.5240 179.3598 64 K 3.8605 8.0922 119.2366 59.6237 32.1546 178.6602 65 A 4.0275 8.0757 120.9407 54.9349 18.2029 179.4466 66 L 3.7486 7.9148 118.9338 58.1097 41.9805 178.8241 67 L 3.8867 7.7655 119.0988 58.3623 42.0803 178.3205 68 D 4.3188 7.9697 117.5662 57.1710 41.0310 178.4684 69 R 4.0227 7.9867 119.0836 59.5182 30.0891 179.0490 70 D 4.1730 7.7379 114.8061 55.0165 40.2915 178.0420 *72 E 4.3143 8.0626 120.5320 56.6660 31.6571 177.9384 73 N 4.3134 8.1237 115.9644 56.3575 38.4932 177.5374 74 I 3.6834 7.6939 121.0477 64.4427 37.2687 178.6224 75 V 3.6693 7.7831 118.4889 66.0083 31.3221 177.9353 76 K 3.9962 8.4444 118.5888 59.4362 31.8675 179.3054 77 S 4.0757 8.1116 113.3270 61.5451 62.4496 176.4078 78 V 3.7845 8.0102 120.9476 66.1604 31.3073 177.7298 79 D 4.3547 8.3574 118.5851 57.0405 40.3916 178.5185 80 A 4.0011 8.0731 120.8600 55.0609 18.6983 179.1625 81 L 4.1148 8.0182 118.8532 58.4181 42.0318 179.2538 82 L 4.0187 7.9282 117.4069 57.4912 41.5349 179.0493 83 A 4.3223 7.6953 119.8333 53.3710 18.3239 177.5042 84 K 4.0194 7.3551 116.8308 56.6137 31.8498 176.9087 85 D 4.4907 8.6543 125.0049 55.7384 39.7537 177.1876 86 D 4.3794 7.9706 117.2701 54.7548 39.5155 176.4313 *88 S 4.2574 7.6801 115.2051 57.7727 65.4094 172.6862 89 P 4.2755 0.0000 0.0000 65.6039 31.0834 178.6705 90 E 4.1320 8.0664 117.4904 59.2809 29.6764 178.3070 91 A 4.0153 7.8799 120.5681 55.4219 18.3219 179.8503 92 K 3.9894 8.4189 117.0662 59.4871 32.0570 179.4830 93 L 3.5307 8.0797 120.7200 57.7586 42.0406 178.9327 94 R 3.8631 8.0902 118.2107 59.4427 30.0686 178.9023 95 R 3.8353 7.8689 118.1135 59.6963 29.9939 177.9269 96 H 4.0829 8.2883 118.2121 59.3086 29.7699 177.2614 97 I 3.5147 7.8374 121.8198 64.3014 36.9850 178.3178 98 S 4.0586 7.9159 113.8264 61.4140 62.1532 176.4166 99 K 3.9819 8.4444 121.5388 59.5311 31.6989 179.1703 100 C 4.0363 8.2742 117.4231 62.6633 27.9770 175.9026 101 I 3.9699 7.8148 121.4309 64.8511 36.7734 178.1555 102 D 4.2063 7.9453 119.1673 57.4761 40.5222 178.8783 103 T 3.6825 7.8385 116.3541 67.0466 68.2035 176.2170 104 Y 4.2198 7.6546 117.9857 60.5387 37.6913 177.6150 105 Y 3.3056 7.5034 120.3152 60.4162 38.9043 177.1418 106 D 4.1145 8.0124 119.0484 56.2025 42.3446 176.5754 107 Y 4.4187 7.5356 115.5468 55.6301 38.1513 174.7347 108 P 4.5367 0.0000 0.0000 64.8793 32.2528 177.9261 109 Y 4.3483 7.4387 116.3120 58.2392 38.7379 177.0522 110 L 4.0157 7.9084 123.5522 58.7261 41.8399 178.5991 111 N 4.4570 8.2112 114.1442 56.4739 38.6485 177.2066 112 R 4.1211 7.9858 118.0067 59.0236 30.5422 178.4471 113 L 4.1939 8.4649 120.5781 57.9635 42.0551 179.1310 114 L 3.8579 8.0690 117.3580 56.2301 41.6148 178.2511 *116 R 4.2316 7.8907 118.8129 56.0176 32.0702 177.5985 117 L 3.9161 8.0367 117.6292 57.6823 41.8812 179.6350 118 V 3.6515 8.0070 117.8060 65.6664 31.6932 176.8270 119 R 4.0143 8.1916 118.9795 59.1580 29.7436 176.4387 120 D 4.7213 7.3531 114.5064 53.8910 41.5683 176.8967 121 S 4.1813 7.5060 114.2494 58.7695 63.3367 174.6398 122 D 4.7755 8.5069 124.5966 52.8710 41.9311 177.7653 123 E 3.9413 8.7620 118.6000 61.6293 29.4075 178.6880 124 A 4.1679 7.9398 121.2759 54.9371 18.5259 179.2313 125 E 3.8856 8.0469 117.1551 59.1628 29.7796 178.6655 126 A 4.0252 8.4260 121.4433 54.9863 18.4678 179.5489 127 K 3.8967 8.4260 118.6105 59.3378 32.0938 179.0125 128 R 3.7283 8.1312 119.1539 59.4875 29.9841 178.4124 129 I 3.6395 7.7399 119.2076 64.3456 37.1517 178.2720 130 A 3.9824 8.2945 121.7408 55.3601 18.0261 179.5115 131 D 4.2512 8.2911 116.3180 57.5703 41.0538 178.7988 132 Q 3.9645 8.5484 118.6108 57.9759 28.7313 176.6240 133 Y 4.8809 7.7362 115.2217 59.5647 39.9594 178.2050 134 L 4.1238 7.7917 119.0068 57.7883 42.0174 179.2728 135 L 4.0108 8.4685 119.1991 57.3383 41.4670 177.5937 136 P 4.2794 0.0000 0.0000 65.7920 31.3766 178.5844 137 L 4.1149 7.6031 116.0839 58.2239 41.1324 179.3507 138 H 4.0527 8.1482 116.1355 58.7732 28.4956 178.1312 139 R 3.9515 8.5903 120.1934 59.0303 29.9055 178.5927 140 A 3.7838 8.3279 121.0152 55.7514 18.3373 179.3657 141 Y 4.1534 8.2646 114.5417 61.3722 37.8926 178.6235 142 N 4.5256 8.1702 116.9720 56.5128 38.5036 177.2856 143 R 3.8898 7.8986 119.4145 58.8369 30.2650 178.6417 144 F 4.4148 7.9216 117.2122 61.1596 39.1281 178.2862 145 I 4.1866 8.1765 118.9245 64.5250 37.1529 178.6503 146 G 3.8355 8.5752 106.9167 47.9436 0.0000 175.4122 147 E 4.0835 8.7279 121.2862 59.2526 29.4528 179.7576 148 G 2.9242 7.7520 104.7902 47.4690 0.0000 176.3287 149 V 3.8168 8.4305 115.2000 64.2478 31.3895 178.8476 150 K 3.9691 8.3326 117.1152 59.3455 31.9460 178.9360 151 A 4.1491 7.7896 119.8859 53.0671 18.3040 178.4547 152 G 3.8324 7.7457 104.9549 45.7365 0.0000 174.4637 153 V 4.1609 8.0136 114.2236 61.0787 33.5138 175.7033 154 F 5.7860 7.7252 118.0147 55.2441 41.4687 175.8506 155 R 4.0786 9.0508 122.1887 55.5882 30.5417 176.3025 156 P 4.5715 0.0000 0.0000 61.9738 29.6661 175.6202 157 I 4.1382 7.1796 117.6957 60.1941 39.8257 176.5766 158 N 4.5370 8.5005 119.4332 53.0056 39.5324 173.8847 159 P 4.6000 0.0000 0.0000 65.6992 31.3362 178.7578 160 Q 4.1494 8.3372 116.4729 59.0673 29.0864 178.4229 161 L 4.5407 8.3418 119.6077 57.7224 41.7623 179.0136 162 F 4.4031 8.6850 120.8339 61.3960 39.2767 176.2792 163 Y 2.9649 7.8883 118.8462 60.5139 38.2742 178.3306 164 F 4.1248 8.0116 117.9265 60.1717 39.1510 177.9708 165 T 3.8369 7.9006 115.0919 66.6823 68.2627 176.5501 166 V 3.3310 7.5885 120.3774 66.2213 31.5843 178.2351 167 T 3.9848 7.5695 109.6345 64.2945 68.2625 176.9747 168 G 3.4760 8.1394 108.5488 47.5853 0.0000 175.5731 169 A 4.0088 7.7194 122.1293 54.7317 18.4889 179.2987 170 A 4.2804 7.9566 118.3466 55.3968 18.6853 179.0810 171 D 4.0726 8.0019 116.6880 57.0987 41.1472 178.4430 172 R 3.7708 7.6663 118.9939 59.2887 29.8461 178.2430 173 F 3.7909 7.6837 119.0251 60.7665 39.4896 176.3492 174 F 4.5437 7.5488 116.7756 59.7732 39.1344 177.9641 175 S 4.2928 8.2850 112.5092 60.5773 63.2350 175.4656 176 A 4.1653 7.8000 123.4773 52.6338 18.1574 178.7939 177 R 3.6788 7.6998 118.5614 59.3144 30.0251 177.9551 178 L 3.9279 7.8888 119.3582 58.3169 42.0219 179.0526 179 V 3.4842 7.6076 117.4043 66.0410 31.5384 177.8654 180 L 4.1822 7.9538 118.7740 57.4527 41.4018 179.5477 181 K 4.0503 8.4832 120.0834 59.9454 32.0463 178.6176 182 H 4.0426 8.2821 115.3272 58.9406 28.6663 176.9828 183 C 4.1027 7.8385 116.9131 60.7747 28.3087 174.4279 184 F 4.9449 7.8755 115.7927 56.0104 40.2584 174.5270 185 D 4.7600 8.0282 118.8018 54.9650 40.0675 172.6476 186 Q 4.3055 7.5769 117.8540 54.0257 29.6123 174.2916 187 D 4.6720 8.4782 126.2319 52.7702 41.0195 175.8746 188 T 3.9968 8.1542 116.8252 62.9271 69.6221 174.9496 189 L 4.5402 7.7727 124.4015 54.9213 41.5852 176.6530 190 T 4.9661 7.6062 108.5918 59.1589 73.6799 173.8301 191 E 3.8708 8.7416 120.8868 59.6490 29.7122 179.1311 192 Q 3.9633 8.0497 120.0865 58.9434 29.2204 177.9703 193 L 4.1550 8.0287 119.5936 57.6823 41.6469 179.2098 194 R 4.4445 8.2697 118.7160 60.0184 30.0683 178.4601 195 D 4.3626 8.3370 118.4773 56.9395 40.7408 178.7155 196 S 4.0418 8.3355 114.1023 61.7213 62.3826 175.7208 197 Y 3.8641 8.2203 122.2747 60.2393 38.2917 177.6824 198 R 3.7919 8.3950 120.2301 59.4068 30.2305 178.0421 199 E 3.8450 8.0614 118.8885 59.4978 29.6233 178.0494 200 H 4.0221 8.0497 118.1673 59.6698 29.7652 177.3718 201 T 3.5781 7.7766 117.5165 66.4342 68.0680 176.9097 202 V 3.5197 7.6434 119.0687 66.2584 31.5828 177.4463 203 D 4.4499 7.8810 117.0454 57.1943 40.8650 178.3388 204 F 3.9526 8.2515 121.0990 61.1905 39.4144 178.4021 205 I 4.0869 7.9529 116.4678 62.0149 36.5092 177.7339 *207 A 4.1550 8.0055 124.6871 52.1862 20.1003 179.4514 208 G 3.6011 7.9350 103.5705 47.5884 0.0000 174.2726 209 I 3.9454 7.5956 119.5767 61.8112 39.0047 175.7329 210 L 4.6922 7.6611 119.5416 54.1893 42.1751 176.6273 211 A 4.1819 8.6001 124.9255 52.5654 18.2107 177.2686 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 15 G 8.21 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.53 3.81 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.08 3.29 0.00 0.67 1.53 0.00 2.90 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.17 0.00 18 D 7.88 4.34 0.00 2.84 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.05 3.97 0.00 1.77 1.83 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.27 4.04 0.00 2.14 1.91 1.22 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.00 3.83 0.00 1.82 1.64 0.95 0.49 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 22 Q 8.27 3.97 0.00 2.14 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 23 T 8.18 3.82 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 1.24 0.00 0.00 24 A 7.81 3.88 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 25 S 7.97 4.05 0.00 4.01 4.21 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 26 N 8.40 4.58 0.00 2.93 3.04 0.00 0.00 7.10 7.84 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 27 I 7.67 3.70 1.95 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 1.56 0.64 0.87 0.00 0.00 *29 R 7.81 4.44 0.00 1.98 2.43 0.00 3.15 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.64 0.00 30 E 8.41 4.07 0.00 2.06 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 2.29 0.00 31 G 8.03 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 32 D 8.16 4.48 0.00 2.84 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 33 V 7.73 4.61 2.06 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 0.78 0.00 0.00 0.95 0.00 0.00 34 V 8.09 4.39 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 0.79 0.00 0.00 0.99 0.00 0.00 35 D 7.72 4.78 0.00 2.57 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.85 4.58 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.92 0.86 0.00 0.00 37 S 8.45 4.45 0.00 3.87 3.71 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 0.00 0.00 0.00 38 L 8.58 3.95 0.00 1.81 1.67 0.97 0.93 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 39 S 8.05 4.13 0.00 4.09 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.05 3.95 0.00 2.01 2.10 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 2.30 2.31 0.00 41 L 8.17 3.95 0.00 1.86 1.84 0.95 1.08 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 42 S 8.25 4.38 0.00 4.32 4.14 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 43 L 7.84 3.95 0.00 1.76 1.94 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.99 4.15 0.00 1.92 1.97 0.00 3.21 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 45 S 8.25 4.36 0.00 4.07 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 46 G 7.64 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 47 L 7.58 4.67 0.00 1.80 1.65 0.99 0.65 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 48 N 8.64 4.49 0.00 2.73 2.71 0.00 0.00 6.92 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.84 4.18 0.00 4.12 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 50 A 8.82 4.05 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 51 L 8.17 4.05 0.00 1.99 1.96 1.02 0.63 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 52 V 7.78 3.89 2.33 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 1.37 0.00 0.00 1.07 0.00 0.00 53 K 8.21 4.02 0.00 2.03 1.88 0.00 1.90 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.63 7.81 54 Y 7.82 4.04 0.00 2.74 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 55 Y 7.54 3.70 0.00 1.91 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 0.00 0.00 0.00 56 F 8.33 5.01 0.00 3.20 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 57 G 9.92 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 0.00 0.00 0.00 0.00 58 N 7.34 4.83 0.00 2.94 2.95 0.00 0.00 5.77 6.55 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 59 K 8.76 3.90 0.00 1.84 1.84 0.00 1.71 0.00 0.00 2.00 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.47 7.81 60 A 8.09 4.09 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 61 G 8.62 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 62 L 7.89 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0.00 0.00 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 Q 8.55 3.96 0.00 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.72 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 133 Y 7.74 4.88 0.00 3.12 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 0.00 134 L 7.79 4.12 0.00 1.73 1.75 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.47 4.01 0.00 1.74 1.72 0.95 1.02 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 0.00 136 P 0.00 4.28 0.00 2.21 2.15 0.00 3.68 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 2.36 2.20 0.00 137 L 7.60 4.11 0.00 1.77 1.81 1.05 1.23 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 0.00 138 H 8.15 4.05 0.00 3.09 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.59 3.95 0.00 1.99 1.98 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 140 A 8.33 3.78 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 0.00 141 Y 8.26 4.15 0.00 3.42 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 0.00 142 N 8.17 4.53 0.00 3.00 2.92 0.00 0.00 7.00 7.32 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 0.00 143 R 7.90 3.89 0.00 1.76 1.67 0.00 3.23 0.00 0.00 3.11 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 144 F 7.92 4.41 0.00 3.16 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 0.00 145 I 8.18 4.19 2.06 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.89 0.96 0.00 0.00 146 G 8.58 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 0.00 147 E 8.73 4.08 0.00 2.14 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 2.32 2.42 0.00 148 G 7.75 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 0.00 0.00 0.00 149 V 8.43 3.82 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 0.98 0.00 0.00 0.97 0.00 0.00 150 K 8.33 3.97 0.00 1.95 1.86 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.33 7.81 151 A 7.79 4.15 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 0.00 152 G 7.75 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 0.00 153 V 8.01 4.16 1.84 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 0.65 0.00 0.00 0.19 0.00 0.00 154 F 7.73 5.79 0.00 2.83 2.68 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 0.00 155 R 9.05 4.08 0.00 1.61 1.87 0.00 3.15 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 156 P 0.00 4.57 0.00 2.19 2.11 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 157 I 7.18 4.14 1.85 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 1.00 0.44 0.88 0.00 0.00 158 N 8.50 4.54 0.00 2.85 2.86 0.00 0.00 6.89 7.71 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 0.00 159 P 0.00 4.60 0.00 2.57 2.46 0.00 3.75 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 160 Q 8.34 4.15 0.00 2.55 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 161 L 8.34 4.54 0.00 1.87 1.89 1.00 1.10 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 0.00 162 F 8.68 4.40 0.00 3.36 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 0.00 163 Y 7.89 2.96 0.00 2.39 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 0.00 164 F 8.01 4.12 0.00 3.35 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 0.00 165 T 7.90 3.84 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 1.26 0.00 0.00 166 V 7.59 3.33 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 1.01 0.00 0.00 -0.05 0.00 0.00 167 T 7.57 3.98 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 0.53 0.00 0.00 168 G 8.14 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 A 7.72 4.01 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 0.00 170 A 7.96 4.28 1.54 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 0.00 171 D 8.00 4.07 0.00 1.58 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 0.00 0.00 0.00 0.00 172 R 7.67 3.77 0.00 2.09 1.86 0.00 3.14 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 173 F 7.68 3.79 0.00 1.51 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 0.00 174 F 7.55 4.54 0.00 3.30 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 0.00 175 S 8.28 4.29 0.00 4.01 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 0.00 176 A 7.80 4.17 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 0.00 177 R 7.70 3.68 0.00 2.04 1.91 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 178 L 7.89 3.93 0.00 1.72 1.61 0.88 0.64 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 0.00 179 V 7.61 3.48 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 0.96 0.00 0.00 0.87 0.00 0.00 180 L 7.95 4.18 0.00 1.67 1.73 0.64 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 181 K 8.48 4.05 0.00 1.86 1.80 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.46 7.81 182 H 8.28 4.04 0.00 3.09 3.29 0.00 5.89 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 C 7.84 4.10 0.00 2.22 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 0.00 0.00 0.00 184 F 7.88 4.94 0.00 3.21 2.91 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 0.00 185 D 8.03 4.76 0.00 2.76 2.71 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 0.00 0.00 0.00 186 Q 7.58 4.31 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 187 D 8.48 4.67 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.15 4.00 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 0.08 0.00 0.00 189 L 7.77 4.54 0.00 1.71 1.35 0.81 0.58 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 0.00 190 T 7.61 4.97 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 1.30 0.00 0.00 191 E 8.74 3.87 0.00 2.18 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 0.00 2.40 2.38 0.00 192 Q 8.05 3.96 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 193 L 8.03 4.15 0.00 1.94 2.09 1.03 1.01 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 0.00 194 R 8.27 4.44 0.00 2.08 1.98 0.00 2.43 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 195 D 8.34 4.36 0.00 2.74 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 S 8.34 4.04 0.00 4.04 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 0.00 197 Y 8.22 3.86 0.00 2.32 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 0.00 198 R 8.40 3.79 0.00 2.06 2.09 0.00 3.12 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 199 E 8.06 3.84 0.00 2.07 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 2.29 2.30 0.00 200 H 8.05 4.02 0.00 3.21 3.30 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 T 7.78 3.58 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 1.02 0.00 0.00 202 V 7.64 3.52 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 0.79 0.00 0.00 0.91 0.00 0.00 203 D 7.88 4.45 0.00 2.86 2.68 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 0.00 204 F 8.25 3.95 0.00 3.03 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 0.00 205 I 7.95 4.09 1.96 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 1.53 0.58 1.07 0.00 0.00 *207 A 8.01 4.15 1.13 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 0.00 0.00 208 G 7.93 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 0.00 209 I 7.60 3.95 1.51 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.30 0.58 0.00 0.00 210 L 7.66 4.69 0.00 1.69 1.63 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 211 A 8.60 4.18 1.27 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.